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As As982 1.0 0.84375 0.34803 0.68846 1.0000 + As As983 1.0 0.84375 0.41053 0.68846 1.0000 + As As984 1.0 0.84375 0.47303 0.68846 1.0000 + As As985 1.0 0.84375 0.53553 0.68846 1.0000 + As As986 1.0 0.84375 0.59803 0.68846 1.0000 + As As987 1.0 0.84375 0.66053 0.68846 1.0000 + As As988 1.0 0.84375 0.72303 0.68846 1.0000 + As As989 1.0 0.84375 0.78553 0.68846 1.0000 + As As990 1.0 0.84375 0.84803 0.68846 1.0000 + As As991 1.0 0.84375 0.91053 0.68846 1.0000 + As As992 1.0 0.84375 0.97303 0.68846 1.0000 + As As993 1.0 0.90625 0.03553 0.68846 1.0000 + As As994 1.0 0.90625 0.09803 0.68846 1.0000 + As As995 1.0 0.90625 0.16053 0.68846 1.0000 + As As996 1.0 0.90625 0.22303 0.68846 1.0000 + As As997 1.0 0.90625 0.28553 0.68846 1.0000 + As As998 1.0 0.90625 0.34803 0.68846 1.0000 + As As999 1.0 0.90625 0.41053 0.68846 1.0000 + As As1000 1.0 0.90625 0.47303 0.68846 1.0000 + As As1001 1.0 0.90625 0.53553 0.68846 1.0000 + As As1002 1.0 0.90625 0.59803 0.68846 1.0000 + As As1003 1.0 0.90625 0.66053 0.68846 1.0000 + As As1004 1.0 0.90625 0.72303 0.68846 1.0000 + As As1005 1.0 0.90625 0.78553 0.68846 1.0000 + As As1006 1.0 0.90625 0.84803 0.68846 1.0000 + As As1007 1.0 0.90625 0.91053 0.68846 1.0000 + As As1008 1.0 0.90625 0.97303 0.68846 1.0000 + As As1009 1.0 0.96875 0.03553 0.68846 1.0000 + As As1010 1.0 0.96875 0.09803 0.68846 1.0000 + As As1011 1.0 0.96875 0.16053 0.68846 1.0000 + As As1012 1.0 0.96875 0.22303 0.68846 1.0000 + As As1013 1.0 0.96875 0.28553 0.68846 1.0000 + As As1014 1.0 0.96875 0.34803 0.68846 1.0000 + As As1015 1.0 0.96875 0.41053 0.68846 1.0000 + As As1016 1.0 0.96875 0.47303 0.68846 1.0000 + As As1017 1.0 0.96875 0.53553 0.68846 1.0000 + As As1018 1.0 0.96875 0.59803 0.68846 1.0000 + As As1019 1.0 0.96875 0.66053 0.68846 1.0000 + As As1020 1.0 0.96875 0.72303 0.68846 1.0000 + As As1021 1.0 0.96875 0.78553 0.68846 1.0000 + As As1022 1.0 0.96875 0.84803 0.68846 1.0000 + As As1023 1.0 0.96875 0.91053 0.68846 1.0000 + As As1024 1.0 0.96875 0.97303 0.68846 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-3458_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-3458_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..b50841fa7d7c6cfd2a0cc61e2e79e305893b448f --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-3458_supercell_12x12x1.cif @@ -0,0 +1,2329 @@ +data_image0 +_chemical_formula_structural Rh288Cl864Rh288Cl864 +_chemical_formula_sum "Rh576 Cl1728" +_cell_length_a 125.28 +_cell_length_b 72.3344 +_cell_length_c 6.66283 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Rh Rh1 1.0 0.97222 0.04167 0.50000 1.0000 + Rh Rh2 1.0 0.93056 0.08333 0.50000 1.0000 + Rh Rh3 1.0 0.88889 0.12500 0.50000 1.0000 + Rh Rh4 1.0 0.84722 0.16667 0.50000 1.0000 + Rh Rh5 1.0 0.80556 0.20833 0.50000 1.0000 + Rh Rh6 1.0 0.76389 0.25000 0.50000 1.0000 + Rh Rh7 1.0 0.72222 0.29167 0.50000 1.0000 + Rh Rh8 1.0 0.68056 0.33333 0.50000 1.0000 + Rh Rh9 1.0 0.63889 0.37500 0.50000 1.0000 + Rh Rh10 1.0 0.59722 0.41667 0.50000 1.0000 + Rh Rh11 1.0 0.55556 0.45833 0.50000 1.0000 + Rh Rh12 1.0 0.51389 0.50000 0.50000 1.0000 + Rh Rh13 1.0 0.01389 0.08333 0.50000 1.0000 + Rh Rh14 1.0 0.97222 0.12500 0.50000 1.0000 + Rh Rh15 1.0 0.93056 0.16667 0.50000 1.0000 + Rh Rh16 1.0 0.88889 0.20833 0.50000 1.0000 + Rh Rh17 1.0 0.84722 0.25000 0.50000 1.0000 + Rh Rh18 1.0 0.80556 0.29167 0.50000 1.0000 + Rh Rh19 1.0 0.76389 0.33333 0.50000 1.0000 + Rh Rh20 1.0 0.72222 0.37500 0.50000 1.0000 + Rh Rh21 1.0 0.68056 0.41667 0.50000 1.0000 + Rh Rh22 1.0 0.63889 0.45833 0.50000 1.0000 + Rh Rh23 1.0 0.59722 0.50000 0.50000 1.0000 + Rh Rh24 1.0 0.55556 0.54167 0.50000 1.0000 + Rh Rh25 1.0 0.05556 0.12500 0.50000 1.0000 + Rh Rh26 1.0 0.01389 0.16667 0.50000 1.0000 + Rh Rh27 1.0 0.97222 0.20833 0.50000 1.0000 + Rh Rh28 1.0 0.93056 0.25000 0.50000 1.0000 + Rh Rh29 1.0 0.88889 0.29167 0.50000 1.0000 + Rh Rh30 1.0 0.84722 0.33333 0.50000 1.0000 + Rh Rh31 1.0 0.80556 0.37500 0.50000 1.0000 + Rh Rh32 1.0 0.76389 0.41667 0.50000 1.0000 + Rh Rh33 1.0 0.72222 0.45833 0.50000 1.0000 + Rh Rh34 1.0 0.68056 0.50000 0.50000 1.0000 + Rh Rh35 1.0 0.63889 0.54167 0.50000 1.0000 + Rh Rh36 1.0 0.59722 0.58333 0.50000 1.0000 + Rh Rh37 1.0 0.09722 0.16667 0.50000 1.0000 + Rh Rh38 1.0 0.05556 0.20833 0.50000 1.0000 + Rh Rh39 1.0 0.01389 0.25000 0.50000 1.0000 + Rh Rh40 1.0 0.97222 0.29167 0.50000 1.0000 + Rh Rh41 1.0 0.93056 0.33333 0.50000 1.0000 + Rh Rh42 1.0 0.88889 0.37500 0.50000 1.0000 + Rh Rh43 1.0 0.84722 0.41667 0.50000 1.0000 + Rh Rh44 1.0 0.80556 0.45833 0.50000 1.0000 + Rh Rh45 1.0 0.76389 0.50000 0.50000 1.0000 + Rh Rh46 1.0 0.72222 0.54167 0.50000 1.0000 + Rh Rh47 1.0 0.68056 0.58333 0.50000 1.0000 + Rh Rh48 1.0 0.63889 0.62500 0.50000 1.0000 + Rh Rh49 1.0 0.13889 0.20833 0.50000 1.0000 + Rh Rh50 1.0 0.09722 0.25000 0.50000 1.0000 + Rh Rh51 1.0 0.05556 0.29167 0.50000 1.0000 + Rh Rh52 1.0 0.01389 0.33333 0.50000 1.0000 + Rh Rh53 1.0 0.97222 0.37500 0.50000 1.0000 + Rh Rh54 1.0 0.93056 0.41667 0.50000 1.0000 + Rh Rh55 1.0 0.88889 0.45833 0.50000 1.0000 + Rh Rh56 1.0 0.84722 0.50000 0.50000 1.0000 + Rh Rh57 1.0 0.80556 0.54167 0.50000 1.0000 + Rh Rh58 1.0 0.76389 0.58333 0.50000 1.0000 + Rh Rh59 1.0 0.72222 0.62500 0.50000 1.0000 + Rh Rh60 1.0 0.68056 0.66667 0.50000 1.0000 + Rh Rh61 1.0 0.18056 0.25000 0.50000 1.0000 + Rh Rh62 1.0 0.13889 0.29167 0.50000 1.0000 + Rh Rh63 1.0 0.09722 0.33333 0.50000 1.0000 + Rh Rh64 1.0 0.05556 0.37500 0.50000 1.0000 + Rh Rh65 1.0 0.01389 0.41667 0.50000 1.0000 + Rh Rh66 1.0 0.97222 0.45833 0.50000 1.0000 + Rh Rh67 1.0 0.93056 0.50000 0.50000 1.0000 + Rh Rh68 1.0 0.88889 0.54167 0.50000 1.0000 + Rh Rh69 1.0 0.84722 0.58333 0.50000 1.0000 + Rh Rh70 1.0 0.80556 0.62500 0.50000 1.0000 + Rh Rh71 1.0 0.76389 0.66667 0.50000 1.0000 + Rh Rh72 1.0 0.72222 0.70833 0.50000 1.0000 + Rh Rh73 1.0 0.22222 0.29167 0.50000 1.0000 + Rh Rh74 1.0 0.18056 0.33333 0.50000 1.0000 + Rh Rh75 1.0 0.13889 0.37500 0.50000 1.0000 + Rh Rh76 1.0 0.09722 0.41667 0.50000 1.0000 + Rh Rh77 1.0 0.05556 0.45833 0.50000 1.0000 + Rh Rh78 1.0 0.01389 0.50000 0.50000 1.0000 + Rh Rh79 1.0 0.97222 0.54167 0.50000 1.0000 + Rh Rh80 1.0 0.93056 0.58333 0.50000 1.0000 + Rh Rh81 1.0 0.88889 0.62500 0.50000 1.0000 + Rh Rh82 1.0 0.84722 0.66667 0.50000 1.0000 + Rh Rh83 1.0 0.80556 0.70833 0.50000 1.0000 + Rh Rh84 1.0 0.76389 0.75000 0.50000 1.0000 + Rh Rh85 1.0 0.26389 0.33333 0.50000 1.0000 + Rh Rh86 1.0 0.22222 0.37500 0.50000 1.0000 + Rh Rh87 1.0 0.18056 0.41667 0.50000 1.0000 + Rh Rh88 1.0 0.13889 0.45833 0.50000 1.0000 + Rh Rh89 1.0 0.09722 0.50000 0.50000 1.0000 + Rh Rh90 1.0 0.05556 0.54167 0.50000 1.0000 + Rh Rh91 1.0 0.01389 0.58333 0.50000 1.0000 + Rh Rh92 1.0 0.97222 0.62500 0.50000 1.0000 + Rh Rh93 1.0 0.93056 0.66667 0.50000 1.0000 + Rh Rh94 1.0 0.88889 0.70833 0.50000 1.0000 + Rh Rh95 1.0 0.84722 0.75000 0.50000 1.0000 + Rh Rh96 1.0 0.80556 0.79167 0.50000 1.0000 + Rh Rh97 1.0 0.30556 0.37500 0.50000 1.0000 + Rh Rh98 1.0 0.26389 0.41667 0.50000 1.0000 + Rh Rh99 1.0 0.22222 0.45833 0.50000 1.0000 + Rh Rh100 1.0 0.18056 0.50000 0.50000 1.0000 + Rh Rh101 1.0 0.13889 0.54167 0.50000 1.0000 + Rh Rh102 1.0 0.09722 0.58333 0.50000 1.0000 + Rh Rh103 1.0 0.05556 0.62500 0.50000 1.0000 + Rh Rh104 1.0 0.01389 0.66667 0.50000 1.0000 + Rh Rh105 1.0 0.97222 0.70833 0.50000 1.0000 + Rh Rh106 1.0 0.93056 0.75000 0.50000 1.0000 + Rh Rh107 1.0 0.88889 0.79167 0.50000 1.0000 + Rh Rh108 1.0 0.84722 0.83333 0.50000 1.0000 + Rh Rh109 1.0 0.34722 0.41667 0.50000 1.0000 + Rh Rh110 1.0 0.30556 0.45833 0.50000 1.0000 + Rh Rh111 1.0 0.26389 0.50000 0.50000 1.0000 + Rh Rh112 1.0 0.22222 0.54167 0.50000 1.0000 + Rh Rh113 1.0 0.18056 0.58333 0.50000 1.0000 + Rh Rh114 1.0 0.13889 0.62500 0.50000 1.0000 + Rh Rh115 1.0 0.09722 0.66667 0.50000 1.0000 + Rh Rh116 1.0 0.05556 0.70833 0.50000 1.0000 + Rh Rh117 1.0 0.01389 0.75000 0.50000 1.0000 + Rh Rh118 1.0 0.97222 0.79167 0.50000 1.0000 + Rh Rh119 1.0 0.93056 0.83333 0.50000 1.0000 + Rh Rh120 1.0 0.88889 0.87500 0.50000 1.0000 + Rh Rh121 1.0 0.38889 0.45833 0.50000 1.0000 + Rh Rh122 1.0 0.34722 0.50000 0.50000 1.0000 + Rh Rh123 1.0 0.30556 0.54167 0.50000 1.0000 + Rh Rh124 1.0 0.26389 0.58333 0.50000 1.0000 + Rh Rh125 1.0 0.22222 0.62500 0.50000 1.0000 + Rh Rh126 1.0 0.18056 0.66667 0.50000 1.0000 + Rh Rh127 1.0 0.13889 0.70833 0.50000 1.0000 + Rh Rh128 1.0 0.09722 0.75000 0.50000 1.0000 + Rh Rh129 1.0 0.05556 0.79167 0.50000 1.0000 + Rh Rh130 1.0 0.01389 0.83333 0.50000 1.0000 + Rh Rh131 1.0 0.97222 0.87500 0.50000 1.0000 + Rh Rh132 1.0 0.93056 0.91667 0.50000 1.0000 + Rh Rh133 1.0 0.43056 0.50000 0.50000 1.0000 + Rh Rh134 1.0 0.38889 0.54167 0.50000 1.0000 + Rh Rh135 1.0 0.34722 0.58333 0.50000 1.0000 + Rh Rh136 1.0 0.30556 0.62500 0.50000 1.0000 + Rh Rh137 1.0 0.26389 0.66667 0.50000 1.0000 + Rh Rh138 1.0 0.22222 0.70833 0.50000 1.0000 + Rh Rh139 1.0 0.18056 0.75000 0.50000 1.0000 + Rh Rh140 1.0 0.13889 0.79167 0.50000 1.0000 + Rh Rh141 1.0 0.09722 0.83333 0.50000 1.0000 + Rh Rh142 1.0 0.05556 0.87500 0.50000 1.0000 + Rh Rh143 1.0 0.01389 0.91667 0.50000 1.0000 + Rh Rh144 1.0 0.97222 0.95833 0.50000 1.0000 + Rh Rh145 1.0 0.02778 0.04167 0.50000 1.0000 + Rh Rh146 1.0 0.98611 0.08333 0.50000 1.0000 + Rh Rh147 1.0 0.94444 0.12500 0.50000 1.0000 + Rh Rh148 1.0 0.90278 0.16667 0.50000 1.0000 + Rh Rh149 1.0 0.86111 0.20833 0.50000 1.0000 + Rh Rh150 1.0 0.81944 0.25000 0.50000 1.0000 + Rh Rh151 1.0 0.77778 0.29167 0.50000 1.0000 + Rh Rh152 1.0 0.73611 0.33333 0.50000 1.0000 + Rh Rh153 1.0 0.69444 0.37500 0.50000 1.0000 + Rh Rh154 1.0 0.65278 0.41667 0.50000 1.0000 + Rh Rh155 1.0 0.61111 0.45833 0.50000 1.0000 + Rh Rh156 1.0 0.56944 0.50000 0.50000 1.0000 + Rh Rh157 1.0 0.06944 0.08333 0.50000 1.0000 + Rh Rh158 1.0 0.02778 0.12500 0.50000 1.0000 + Rh Rh159 1.0 0.98611 0.16667 0.50000 1.0000 + Rh Rh160 1.0 0.94444 0.20833 0.50000 1.0000 + Rh Rh161 1.0 0.90278 0.25000 0.50000 1.0000 + Rh Rh162 1.0 0.86111 0.29167 0.50000 1.0000 + Rh Rh163 1.0 0.81944 0.33333 0.50000 1.0000 + Rh Rh164 1.0 0.77778 0.37500 0.50000 1.0000 + Rh Rh165 1.0 0.73611 0.41667 0.50000 1.0000 + Rh Rh166 1.0 0.69444 0.45833 0.50000 1.0000 + Rh Rh167 1.0 0.65278 0.50000 0.50000 1.0000 + Rh Rh168 1.0 0.61111 0.54167 0.50000 1.0000 + Rh Rh169 1.0 0.11111 0.12500 0.50000 1.0000 + Rh Rh170 1.0 0.06944 0.16667 0.50000 1.0000 + Rh Rh171 1.0 0.02778 0.20833 0.50000 1.0000 + Rh Rh172 1.0 0.98611 0.25000 0.50000 1.0000 + Rh Rh173 1.0 0.94444 0.29167 0.50000 1.0000 + Rh Rh174 1.0 0.90278 0.33333 0.50000 1.0000 + Rh Rh175 1.0 0.86111 0.37500 0.50000 1.0000 + Rh Rh176 1.0 0.81944 0.41667 0.50000 1.0000 + Rh Rh177 1.0 0.77778 0.45833 0.50000 1.0000 + Rh Rh178 1.0 0.73611 0.50000 0.50000 1.0000 + Rh Rh179 1.0 0.69444 0.54167 0.50000 1.0000 + Rh Rh180 1.0 0.65278 0.58333 0.50000 1.0000 + Rh Rh181 1.0 0.15278 0.16667 0.50000 1.0000 + Rh Rh182 1.0 0.11111 0.20833 0.50000 1.0000 + Rh Rh183 1.0 0.06944 0.25000 0.50000 1.0000 + Rh Rh184 1.0 0.02778 0.29167 0.50000 1.0000 + Rh Rh185 1.0 0.98611 0.33333 0.50000 1.0000 + Rh Rh186 1.0 0.94444 0.37500 0.50000 1.0000 + Rh Rh187 1.0 0.90278 0.41667 0.50000 1.0000 + Rh Rh188 1.0 0.86111 0.45833 0.50000 1.0000 + Rh Rh189 1.0 0.81944 0.50000 0.50000 1.0000 + Rh Rh190 1.0 0.77778 0.54167 0.50000 1.0000 + Rh Rh191 1.0 0.73611 0.58333 0.50000 1.0000 + Rh Rh192 1.0 0.69444 0.62500 0.50000 1.0000 + Rh Rh193 1.0 0.19444 0.20833 0.50000 1.0000 + Rh Rh194 1.0 0.15278 0.25000 0.50000 1.0000 + Rh Rh195 1.0 0.11111 0.29167 0.50000 1.0000 + Rh Rh196 1.0 0.06944 0.33333 0.50000 1.0000 + Rh Rh197 1.0 0.02778 0.37500 0.50000 1.0000 + Rh Rh198 1.0 0.98611 0.41667 0.50000 1.0000 + Rh Rh199 1.0 0.94444 0.45833 0.50000 1.0000 + Rh Rh200 1.0 0.90278 0.50000 0.50000 1.0000 + Rh Rh201 1.0 0.86111 0.54167 0.50000 1.0000 + Rh Rh202 1.0 0.81944 0.58333 0.50000 1.0000 + Rh Rh203 1.0 0.77778 0.62500 0.50000 1.0000 + Rh Rh204 1.0 0.73611 0.66667 0.50000 1.0000 + Rh Rh205 1.0 0.23611 0.25000 0.50000 1.0000 + Rh Rh206 1.0 0.19444 0.29167 0.50000 1.0000 + Rh Rh207 1.0 0.15278 0.33333 0.50000 1.0000 + Rh Rh208 1.0 0.11111 0.37500 0.50000 1.0000 + Rh Rh209 1.0 0.06944 0.41667 0.50000 1.0000 + Rh Rh210 1.0 0.02778 0.45833 0.50000 1.0000 + Rh Rh211 1.0 0.98611 0.50000 0.50000 1.0000 + Rh Rh212 1.0 0.94444 0.54167 0.50000 1.0000 + Rh Rh213 1.0 0.90278 0.58333 0.50000 1.0000 + Rh Rh214 1.0 0.86111 0.62500 0.50000 1.0000 + Rh Rh215 1.0 0.81944 0.66667 0.50000 1.0000 + Rh Rh216 1.0 0.77778 0.70833 0.50000 1.0000 + Rh Rh217 1.0 0.27778 0.29167 0.50000 1.0000 + Rh Rh218 1.0 0.23611 0.33333 0.50000 1.0000 + Rh Rh219 1.0 0.19444 0.37500 0.50000 1.0000 + Rh Rh220 1.0 0.15278 0.41667 0.50000 1.0000 + Rh Rh221 1.0 0.11111 0.45833 0.50000 1.0000 + Rh Rh222 1.0 0.06944 0.50000 0.50000 1.0000 + Rh Rh223 1.0 0.02778 0.54167 0.50000 1.0000 + Rh Rh224 1.0 0.98611 0.58333 0.50000 1.0000 + Rh Rh225 1.0 0.94444 0.62500 0.50000 1.0000 + Rh Rh226 1.0 0.90278 0.66667 0.50000 1.0000 + Rh Rh227 1.0 0.86111 0.70833 0.50000 1.0000 + Rh Rh228 1.0 0.81944 0.75000 0.50000 1.0000 + Rh Rh229 1.0 0.31944 0.33333 0.50000 1.0000 + Rh Rh230 1.0 0.27778 0.37500 0.50000 1.0000 + Rh Rh231 1.0 0.23611 0.41667 0.50000 1.0000 + Rh Rh232 1.0 0.19444 0.45833 0.50000 1.0000 + Rh Rh233 1.0 0.15278 0.50000 0.50000 1.0000 + Rh Rh234 1.0 0.11111 0.54167 0.50000 1.0000 + Rh Rh235 1.0 0.06944 0.58333 0.50000 1.0000 + Rh Rh236 1.0 0.02778 0.62500 0.50000 1.0000 + Rh Rh237 1.0 0.98611 0.66667 0.50000 1.0000 + Rh Rh238 1.0 0.94444 0.70833 0.50000 1.0000 + Rh Rh239 1.0 0.90278 0.75000 0.50000 1.0000 + Rh Rh240 1.0 0.86111 0.79167 0.50000 1.0000 + Rh Rh241 1.0 0.36111 0.37500 0.50000 1.0000 + Rh Rh242 1.0 0.31944 0.41667 0.50000 1.0000 + Rh Rh243 1.0 0.27778 0.45833 0.50000 1.0000 + Rh Rh244 1.0 0.23611 0.50000 0.50000 1.0000 + Rh Rh245 1.0 0.19444 0.54167 0.50000 1.0000 + Rh Rh246 1.0 0.15278 0.58333 0.50000 1.0000 + Rh Rh247 1.0 0.11111 0.62500 0.50000 1.0000 + Rh Rh248 1.0 0.06944 0.66667 0.50000 1.0000 + Rh Rh249 1.0 0.02778 0.70833 0.50000 1.0000 + Rh Rh250 1.0 0.98611 0.75000 0.50000 1.0000 + Rh Rh251 1.0 0.94444 0.79167 0.50000 1.0000 + Rh Rh252 1.0 0.90278 0.83333 0.50000 1.0000 + Rh Rh253 1.0 0.40278 0.41667 0.50000 1.0000 + Rh Rh254 1.0 0.36111 0.45833 0.50000 1.0000 + Rh Rh255 1.0 0.31944 0.50000 0.50000 1.0000 + Rh Rh256 1.0 0.27778 0.54167 0.50000 1.0000 + Rh Rh257 1.0 0.23611 0.58333 0.50000 1.0000 + Rh Rh258 1.0 0.19444 0.62500 0.50000 1.0000 + Rh Rh259 1.0 0.15278 0.66667 0.50000 1.0000 + Rh Rh260 1.0 0.11111 0.70833 0.50000 1.0000 + Rh Rh261 1.0 0.06944 0.75000 0.50000 1.0000 + Rh Rh262 1.0 0.02778 0.79167 0.50000 1.0000 + Rh Rh263 1.0 0.98611 0.83333 0.50000 1.0000 + Rh Rh264 1.0 0.94444 0.87500 0.50000 1.0000 + Rh Rh265 1.0 0.44444 0.45833 0.50000 1.0000 + Rh Rh266 1.0 0.40278 0.50000 0.50000 1.0000 + Rh Rh267 1.0 0.36111 0.54167 0.50000 1.0000 + Rh Rh268 1.0 0.31944 0.58333 0.50000 1.0000 + Rh Rh269 1.0 0.27778 0.62500 0.50000 1.0000 + Rh Rh270 1.0 0.23611 0.66667 0.50000 1.0000 + Rh Rh271 1.0 0.19444 0.70833 0.50000 1.0000 + Rh Rh272 1.0 0.15278 0.75000 0.50000 1.0000 + Rh Rh273 1.0 0.11111 0.79167 0.50000 1.0000 + Rh Rh274 1.0 0.06944 0.83333 0.50000 1.0000 + Rh Rh275 1.0 0.02778 0.87500 0.50000 1.0000 + Rh Rh276 1.0 0.98611 0.91667 0.50000 1.0000 + Rh Rh277 1.0 0.48611 0.50000 0.50000 1.0000 + Rh Rh278 1.0 0.44444 0.54167 0.50000 1.0000 + Rh Rh279 1.0 0.40278 0.58333 0.50000 1.0000 + Rh Rh280 1.0 0.36111 0.62500 0.50000 1.0000 + Rh Rh281 1.0 0.31944 0.66667 0.50000 1.0000 + Rh Rh282 1.0 0.27778 0.70833 0.50000 1.0000 + Rh Rh283 1.0 0.23611 0.75000 0.50000 1.0000 + Rh Rh284 1.0 0.19444 0.79167 0.50000 1.0000 + Rh Rh285 1.0 0.15278 0.83333 0.50000 1.0000 + Rh Rh286 1.0 0.11111 0.87500 0.50000 1.0000 + Rh Rh287 1.0 0.06944 0.91667 0.50000 1.0000 + Rh Rh288 1.0 0.02778 0.95833 0.50000 1.0000 + Cl Cl1 1.0 0.01457 0.05624 0.69970 1.0000 + Cl Cl2 1.0 0.97291 0.09791 0.69970 1.0000 + Cl Cl3 1.0 0.93124 0.13958 0.69970 1.0000 + Cl Cl4 1.0 0.88957 0.18124 0.69970 1.0000 + Cl Cl5 1.0 0.84791 0.22291 0.69970 1.0000 + Cl Cl6 1.0 0.80624 0.26458 0.69970 1.0000 + Cl Cl7 1.0 0.76457 0.30624 0.69970 1.0000 + Cl Cl8 1.0 0.72291 0.34791 0.69970 1.0000 + Cl Cl9 1.0 0.68124 0.38958 0.69970 1.0000 + Cl Cl10 1.0 0.63957 0.43124 0.69970 1.0000 + Cl Cl11 1.0 0.59791 0.47291 0.69970 1.0000 + Cl Cl12 1.0 0.55624 0.51458 0.69970 1.0000 + Cl Cl13 1.0 0.05624 0.09791 0.69970 1.0000 + Cl Cl14 1.0 0.01457 0.13958 0.69970 1.0000 + Cl Cl15 1.0 0.97291 0.18124 0.69970 1.0000 + Cl Cl16 1.0 0.93124 0.22291 0.69970 1.0000 + Cl Cl17 1.0 0.88957 0.26458 0.69970 1.0000 + Cl Cl18 1.0 0.84791 0.30624 0.69970 1.0000 + Cl Cl19 1.0 0.80624 0.34791 0.69970 1.0000 + Cl Cl20 1.0 0.76457 0.38958 0.69970 1.0000 + Cl Cl21 1.0 0.72291 0.43124 0.69970 1.0000 + Cl Cl22 1.0 0.68124 0.47291 0.69970 1.0000 + Cl Cl23 1.0 0.63957 0.51458 0.69970 1.0000 + Cl Cl24 1.0 0.59791 0.55624 0.69970 1.0000 + Cl Cl25 1.0 0.09791 0.13958 0.69970 1.0000 + Cl Cl26 1.0 0.05624 0.18124 0.69970 1.0000 + Cl Cl27 1.0 0.01457 0.22291 0.69970 1.0000 + Cl Cl28 1.0 0.97291 0.26458 0.69970 1.0000 + Cl Cl29 1.0 0.93124 0.30624 0.69970 1.0000 + Cl Cl30 1.0 0.88957 0.34791 0.69970 1.0000 + Cl Cl31 1.0 0.84791 0.38958 0.69970 1.0000 + Cl Cl32 1.0 0.80624 0.43124 0.69970 1.0000 + Cl Cl33 1.0 0.76457 0.47291 0.69970 1.0000 + Cl Cl34 1.0 0.72291 0.51458 0.69970 1.0000 + Cl Cl35 1.0 0.68124 0.55624 0.69970 1.0000 + Cl Cl36 1.0 0.63957 0.59791 0.69970 1.0000 + Cl Cl37 1.0 0.13957 0.18124 0.69970 1.0000 + Cl Cl38 1.0 0.09791 0.22291 0.69970 1.0000 + Cl Cl39 1.0 0.05624 0.26458 0.69970 1.0000 + Cl Cl40 1.0 0.01457 0.30624 0.69970 1.0000 + Cl Cl41 1.0 0.97291 0.34791 0.69970 1.0000 + Cl Cl42 1.0 0.93124 0.38958 0.69970 1.0000 + Cl Cl43 1.0 0.88957 0.43124 0.69970 1.0000 + Cl Cl44 1.0 0.84791 0.47291 0.69970 1.0000 + Cl Cl45 1.0 0.80624 0.51458 0.69970 1.0000 + Cl Cl46 1.0 0.76457 0.55624 0.69970 1.0000 + Cl Cl47 1.0 0.72291 0.59791 0.69970 1.0000 + Cl Cl48 1.0 0.68124 0.63958 0.69970 1.0000 + Cl Cl49 1.0 0.18124 0.22291 0.69970 1.0000 + Cl Cl50 1.0 0.13957 0.26458 0.69970 1.0000 + Cl Cl51 1.0 0.09791 0.30624 0.69970 1.0000 + Cl Cl52 1.0 0.05624 0.34791 0.69970 1.0000 + Cl Cl53 1.0 0.01457 0.38958 0.69970 1.0000 + Cl Cl54 1.0 0.97291 0.43124 0.69970 1.0000 + Cl Cl55 1.0 0.93124 0.47291 0.69970 1.0000 + Cl Cl56 1.0 0.88957 0.51458 0.69970 1.0000 + Cl Cl57 1.0 0.84791 0.55624 0.69970 1.0000 + Cl Cl58 1.0 0.80624 0.59791 0.69970 1.0000 + Cl Cl59 1.0 0.76457 0.63958 0.69970 1.0000 + Cl Cl60 1.0 0.72291 0.68124 0.69970 1.0000 + Cl Cl61 1.0 0.22291 0.26458 0.69970 1.0000 + Cl Cl62 1.0 0.18124 0.30624 0.69970 1.0000 + Cl Cl63 1.0 0.13957 0.34791 0.69970 1.0000 + Cl Cl64 1.0 0.09791 0.38958 0.69970 1.0000 + Cl Cl65 1.0 0.05624 0.43124 0.69970 1.0000 + Cl Cl66 1.0 0.01457 0.47291 0.69970 1.0000 + Cl Cl67 1.0 0.97291 0.51458 0.69970 1.0000 + Cl Cl68 1.0 0.93124 0.55624 0.69970 1.0000 + Cl Cl69 1.0 0.88957 0.59791 0.69970 1.0000 + Cl Cl70 1.0 0.84791 0.63958 0.69970 1.0000 + Cl Cl71 1.0 0.80624 0.68124 0.69970 1.0000 + Cl Cl72 1.0 0.76457 0.72291 0.69970 1.0000 + Cl Cl73 1.0 0.26457 0.30624 0.69970 1.0000 + Cl Cl74 1.0 0.22291 0.34791 0.69970 1.0000 + Cl Cl75 1.0 0.18124 0.38958 0.69970 1.0000 + Cl Cl76 1.0 0.13957 0.43124 0.69970 1.0000 + Cl Cl77 1.0 0.09791 0.47291 0.69970 1.0000 + Cl Cl78 1.0 0.05624 0.51458 0.69970 1.0000 + Cl Cl79 1.0 0.01457 0.55624 0.69970 1.0000 + Cl Cl80 1.0 0.97291 0.59791 0.69970 1.0000 + Cl Cl81 1.0 0.93124 0.63958 0.69970 1.0000 + Cl Cl82 1.0 0.88957 0.68124 0.69970 1.0000 + Cl Cl83 1.0 0.84791 0.72291 0.69970 1.0000 + Cl Cl84 1.0 0.80624 0.76458 0.69970 1.0000 + Cl Cl85 1.0 0.30624 0.34791 0.69970 1.0000 + Cl Cl86 1.0 0.26457 0.38958 0.69970 1.0000 + Cl Cl87 1.0 0.22291 0.43124 0.69970 1.0000 + Cl Cl88 1.0 0.18124 0.47291 0.69970 1.0000 + Cl Cl89 1.0 0.13957 0.51458 0.69970 1.0000 + Cl Cl90 1.0 0.09791 0.55624 0.69970 1.0000 + Cl Cl91 1.0 0.05624 0.59791 0.69970 1.0000 + Cl Cl92 1.0 0.01457 0.63958 0.69970 1.0000 + Cl Cl93 1.0 0.97291 0.68124 0.69970 1.0000 + Cl Cl94 1.0 0.93124 0.72291 0.69970 1.0000 + Cl Cl95 1.0 0.88957 0.76458 0.69970 1.0000 + Cl Cl96 1.0 0.84791 0.80624 0.69970 1.0000 + Cl Cl97 1.0 0.34791 0.38958 0.69970 1.0000 + Cl Cl98 1.0 0.30624 0.43124 0.69970 1.0000 + Cl Cl99 1.0 0.26457 0.47291 0.69970 1.0000 + Cl Cl100 1.0 0.22291 0.51458 0.69970 1.0000 + Cl Cl101 1.0 0.18124 0.55624 0.69970 1.0000 + Cl Cl102 1.0 0.13957 0.59791 0.69970 1.0000 + Cl Cl103 1.0 0.09791 0.63958 0.69970 1.0000 + Cl Cl104 1.0 0.05624 0.68124 0.69970 1.0000 + Cl Cl105 1.0 0.01457 0.72291 0.69970 1.0000 + Cl Cl106 1.0 0.97291 0.76458 0.69970 1.0000 + Cl Cl107 1.0 0.93124 0.80624 0.69970 1.0000 + Cl Cl108 1.0 0.88957 0.84791 0.69970 1.0000 + Cl Cl109 1.0 0.38957 0.43124 0.69970 1.0000 + Cl Cl110 1.0 0.34791 0.47291 0.69970 1.0000 + Cl Cl111 1.0 0.30624 0.51458 0.69970 1.0000 + Cl Cl112 1.0 0.26457 0.55624 0.69970 1.0000 + Cl Cl113 1.0 0.22291 0.59791 0.69970 1.0000 + Cl Cl114 1.0 0.18124 0.63958 0.69970 1.0000 + Cl Cl115 1.0 0.13957 0.68124 0.69970 1.0000 + Cl Cl116 1.0 0.09791 0.72291 0.69970 1.0000 + Cl Cl117 1.0 0.05624 0.76458 0.69970 1.0000 + Cl Cl118 1.0 0.01457 0.80624 0.69970 1.0000 + Cl Cl119 1.0 0.97291 0.84791 0.69970 1.0000 + Cl Cl120 1.0 0.93124 0.88958 0.69970 1.0000 + Cl Cl121 1.0 0.43124 0.47291 0.69970 1.0000 + Cl Cl122 1.0 0.38957 0.51458 0.69970 1.0000 + Cl Cl123 1.0 0.34791 0.55624 0.69970 1.0000 + Cl Cl124 1.0 0.30624 0.59791 0.69970 1.0000 + Cl Cl125 1.0 0.26457 0.63958 0.69970 1.0000 + Cl Cl126 1.0 0.22291 0.68124 0.69970 1.0000 + Cl Cl127 1.0 0.18124 0.72291 0.69970 1.0000 + Cl Cl128 1.0 0.13957 0.76458 0.69970 1.0000 + Cl Cl129 1.0 0.09791 0.80624 0.69970 1.0000 + Cl Cl130 1.0 0.05624 0.84791 0.69970 1.0000 + Cl Cl131 1.0 0.01457 0.88958 0.69970 1.0000 + Cl Cl132 1.0 0.97291 0.93124 0.69970 1.0000 + Cl Cl133 1.0 0.47291 0.51458 0.69970 1.0000 + Cl Cl134 1.0 0.43124 0.55624 0.69970 1.0000 + Cl Cl135 1.0 0.38957 0.59791 0.69970 1.0000 + Cl Cl136 1.0 0.34791 0.63958 0.69970 1.0000 + Cl Cl137 1.0 0.30624 0.68124 0.69970 1.0000 + Cl Cl138 1.0 0.26457 0.72291 0.69970 1.0000 + Cl Cl139 1.0 0.22291 0.76458 0.69970 1.0000 + Cl Cl140 1.0 0.18124 0.80624 0.69970 1.0000 + Cl Cl141 1.0 0.13957 0.84791 0.69970 1.0000 + Cl Cl142 1.0 0.09791 0.88958 0.69970 1.0000 + Cl Cl143 1.0 0.05624 0.93124 0.69970 1.0000 + Cl Cl144 1.0 0.01457 0.97291 0.69970 1.0000 + Cl Cl145 1.0 0.01457 0.02709 0.30030 1.0000 + Cl Cl146 1.0 0.97291 0.06876 0.30030 1.0000 + Cl Cl147 1.0 0.93124 0.11042 0.30030 1.0000 + Cl Cl148 1.0 0.88957 0.15209 0.30030 1.0000 + Cl Cl149 1.0 0.84791 0.19376 0.30030 1.0000 + Cl Cl150 1.0 0.80624 0.23542 0.30030 1.0000 + Cl Cl151 1.0 0.76457 0.27709 0.30030 1.0000 + Cl Cl152 1.0 0.72291 0.31876 0.30030 1.0000 + Cl Cl153 1.0 0.68124 0.36042 0.30030 1.0000 + Cl Cl154 1.0 0.63957 0.40209 0.30030 1.0000 + Cl Cl155 1.0 0.59791 0.44376 0.30030 1.0000 + Cl Cl156 1.0 0.55624 0.48542 0.30030 1.0000 + Cl Cl157 1.0 0.05624 0.06876 0.30030 1.0000 + Cl Cl158 1.0 0.01457 0.11042 0.30030 1.0000 + Cl Cl159 1.0 0.97291 0.15209 0.30030 1.0000 + Cl Cl160 1.0 0.93124 0.19376 0.30030 1.0000 + Cl Cl161 1.0 0.88957 0.23542 0.30030 1.0000 + Cl Cl162 1.0 0.84791 0.27709 0.30030 1.0000 + Cl Cl163 1.0 0.80624 0.31876 0.30030 1.0000 + Cl Cl164 1.0 0.76457 0.36042 0.30030 1.0000 + Cl Cl165 1.0 0.72291 0.40209 0.30030 1.0000 + Cl Cl166 1.0 0.68124 0.44376 0.30030 1.0000 + Cl Cl167 1.0 0.63957 0.48542 0.30030 1.0000 + Cl Cl168 1.0 0.59791 0.52709 0.30030 1.0000 + Cl Cl169 1.0 0.09791 0.11042 0.30030 1.0000 + Cl Cl170 1.0 0.05624 0.15209 0.30030 1.0000 + Cl Cl171 1.0 0.01457 0.19376 0.30030 1.0000 + Cl Cl172 1.0 0.97291 0.23542 0.30030 1.0000 + Cl Cl173 1.0 0.93124 0.27709 0.30030 1.0000 + Cl Cl174 1.0 0.88957 0.31876 0.30030 1.0000 + Cl Cl175 1.0 0.84791 0.36042 0.30030 1.0000 + Cl Cl176 1.0 0.80624 0.40209 0.30030 1.0000 + Cl Cl177 1.0 0.76457 0.44376 0.30030 1.0000 + Cl Cl178 1.0 0.72291 0.48542 0.30030 1.0000 + Cl Cl179 1.0 0.68124 0.52709 0.30030 1.0000 + Cl Cl180 1.0 0.63957 0.56876 0.30030 1.0000 + Cl Cl181 1.0 0.13957 0.15209 0.30030 1.0000 + Cl Cl182 1.0 0.09791 0.19376 0.30030 1.0000 + Cl Cl183 1.0 0.05624 0.23542 0.30030 1.0000 + Cl Cl184 1.0 0.01457 0.27709 0.30030 1.0000 + Cl Cl185 1.0 0.97291 0.31876 0.30030 1.0000 + Cl Cl186 1.0 0.93124 0.36042 0.30030 1.0000 + Cl Cl187 1.0 0.88957 0.40209 0.30030 1.0000 + Cl Cl188 1.0 0.84791 0.44376 0.30030 1.0000 + Cl Cl189 1.0 0.80624 0.48542 0.30030 1.0000 + Cl Cl190 1.0 0.76457 0.52709 0.30030 1.0000 + Cl Cl191 1.0 0.72291 0.56876 0.30030 1.0000 + Cl Cl192 1.0 0.68124 0.61042 0.30030 1.0000 + Cl Cl193 1.0 0.18124 0.19376 0.30030 1.0000 + Cl Cl194 1.0 0.13957 0.23542 0.30030 1.0000 + Cl Cl195 1.0 0.09791 0.27709 0.30030 1.0000 + Cl Cl196 1.0 0.05624 0.31876 0.30030 1.0000 + Cl Cl197 1.0 0.01457 0.36042 0.30030 1.0000 + Cl Cl198 1.0 0.97291 0.40209 0.30030 1.0000 + Cl Cl199 1.0 0.93124 0.44376 0.30030 1.0000 + Cl Cl200 1.0 0.88957 0.48542 0.30030 1.0000 + Cl Cl201 1.0 0.84791 0.52709 0.30030 1.0000 + Cl Cl202 1.0 0.80624 0.56876 0.30030 1.0000 + Cl Cl203 1.0 0.76457 0.61042 0.30030 1.0000 + Cl Cl204 1.0 0.72291 0.65209 0.30030 1.0000 + Cl Cl205 1.0 0.22291 0.23542 0.30030 1.0000 + Cl Cl206 1.0 0.18124 0.27709 0.30030 1.0000 + Cl Cl207 1.0 0.13957 0.31876 0.30030 1.0000 + Cl Cl208 1.0 0.09791 0.36042 0.30030 1.0000 + Cl Cl209 1.0 0.05624 0.40209 0.30030 1.0000 + Cl Cl210 1.0 0.01457 0.44376 0.30030 1.0000 + Cl Cl211 1.0 0.97291 0.48542 0.30030 1.0000 + Cl Cl212 1.0 0.93124 0.52709 0.30030 1.0000 + Cl Cl213 1.0 0.88957 0.56876 0.30030 1.0000 + Cl Cl214 1.0 0.84791 0.61042 0.30030 1.0000 + Cl Cl215 1.0 0.80624 0.65209 0.30030 1.0000 + Cl Cl216 1.0 0.76457 0.69376 0.30030 1.0000 + Cl Cl217 1.0 0.26457 0.27709 0.30030 1.0000 + Cl Cl218 1.0 0.22291 0.31876 0.30030 1.0000 + Cl Cl219 1.0 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Cl1523 1.0 0.31876 0.22291 0.69970 1.0000 + Cl Cl1524 1.0 0.27709 0.26458 0.69970 1.0000 + Cl Cl1525 1.0 0.77709 0.84791 0.69970 1.0000 + Cl Cl1526 1.0 0.73543 0.88958 0.69970 1.0000 + Cl Cl1527 1.0 0.69376 0.93124 0.69970 1.0000 + Cl Cl1528 1.0 0.65209 0.97291 0.69970 1.0000 + Cl Cl1529 1.0 0.61043 0.01458 0.69970 1.0000 + Cl Cl1530 1.0 0.56876 0.05624 0.69970 1.0000 + Cl Cl1531 1.0 0.52709 0.09791 0.69970 1.0000 + Cl Cl1532 1.0 0.48543 0.13958 0.69970 1.0000 + Cl Cl1533 1.0 0.44376 0.18124 0.69970 1.0000 + Cl Cl1534 1.0 0.40209 0.22291 0.69970 1.0000 + Cl Cl1535 1.0 0.36043 0.26458 0.69970 1.0000 + Cl Cl1536 1.0 0.31876 0.30624 0.69970 1.0000 + Cl Cl1537 1.0 0.81876 0.88958 0.69970 1.0000 + Cl Cl1538 1.0 0.77709 0.93124 0.69970 1.0000 + Cl Cl1539 1.0 0.73543 0.97291 0.69970 1.0000 + Cl Cl1540 1.0 0.69376 0.01458 0.69970 1.0000 + Cl Cl1541 1.0 0.65209 0.05624 0.69970 1.0000 + Cl Cl1542 1.0 0.61043 0.09791 0.69970 1.0000 + Cl Cl1543 1.0 0.56876 0.13958 0.69970 1.0000 + Cl Cl1544 1.0 0.52709 0.18124 0.69970 1.0000 + Cl Cl1545 1.0 0.48543 0.22291 0.69970 1.0000 + Cl Cl1546 1.0 0.44376 0.26458 0.69970 1.0000 + Cl Cl1547 1.0 0.40209 0.30624 0.69970 1.0000 + Cl Cl1548 1.0 0.36043 0.34791 0.69970 1.0000 + Cl Cl1549 1.0 0.86043 0.93124 0.69970 1.0000 + Cl Cl1550 1.0 0.81876 0.97291 0.69970 1.0000 + Cl Cl1551 1.0 0.77709 0.01458 0.69970 1.0000 + Cl Cl1552 1.0 0.73543 0.05624 0.69970 1.0000 + Cl Cl1553 1.0 0.69376 0.09791 0.69970 1.0000 + Cl Cl1554 1.0 0.65209 0.13958 0.69970 1.0000 + Cl Cl1555 1.0 0.61043 0.18124 0.69970 1.0000 + Cl Cl1556 1.0 0.56876 0.22291 0.69970 1.0000 + Cl Cl1557 1.0 0.52709 0.26458 0.69970 1.0000 + Cl Cl1558 1.0 0.48543 0.30624 0.69970 1.0000 + Cl Cl1559 1.0 0.44376 0.34791 0.69970 1.0000 + Cl Cl1560 1.0 0.40209 0.38958 0.69970 1.0000 + Cl Cl1561 1.0 0.90209 0.97291 0.69970 1.0000 + Cl Cl1562 1.0 0.86043 0.01458 0.69970 1.0000 + Cl Cl1563 1.0 0.81876 0.05624 0.69970 1.0000 + Cl Cl1564 1.0 0.77709 0.09791 0.69970 1.0000 + Cl Cl1565 1.0 0.73543 0.13958 0.69970 1.0000 + Cl Cl1566 1.0 0.69376 0.18124 0.69970 1.0000 + Cl Cl1567 1.0 0.65209 0.22291 0.69970 1.0000 + Cl Cl1568 1.0 0.61043 0.26458 0.69970 1.0000 + Cl Cl1569 1.0 0.56876 0.30624 0.69970 1.0000 + Cl Cl1570 1.0 0.52709 0.34791 0.69970 1.0000 + Cl Cl1571 1.0 0.48543 0.38958 0.69970 1.0000 + Cl Cl1572 1.0 0.44376 0.43124 0.69970 1.0000 + Cl Cl1573 1.0 0.94376 0.01458 0.69970 1.0000 + Cl Cl1574 1.0 0.90209 0.05624 0.69970 1.0000 + Cl Cl1575 1.0 0.86043 0.09791 0.69970 1.0000 + Cl Cl1576 1.0 0.81876 0.13958 0.69970 1.0000 + Cl Cl1577 1.0 0.77709 0.18124 0.69970 1.0000 + Cl Cl1578 1.0 0.73543 0.22291 0.69970 1.0000 + Cl Cl1579 1.0 0.69376 0.26458 0.69970 1.0000 + Cl Cl1580 1.0 0.65209 0.30624 0.69970 1.0000 + Cl Cl1581 1.0 0.61043 0.34791 0.69970 1.0000 + Cl Cl1582 1.0 0.56876 0.38958 0.69970 1.0000 + Cl Cl1583 1.0 0.52709 0.43124 0.69970 1.0000 + Cl Cl1584 1.0 0.48543 0.47291 0.69970 1.0000 + Cl Cl1585 1.0 0.48543 0.52709 0.30030 1.0000 + Cl Cl1586 1.0 0.44376 0.56876 0.30030 1.0000 + Cl Cl1587 1.0 0.40209 0.61042 0.30030 1.0000 + Cl Cl1588 1.0 0.36043 0.65209 0.30030 1.0000 + Cl Cl1589 1.0 0.31876 0.69376 0.30030 1.0000 + Cl Cl1590 1.0 0.27709 0.73542 0.30030 1.0000 + Cl Cl1591 1.0 0.23543 0.77709 0.30030 1.0000 + Cl Cl1592 1.0 0.19376 0.81876 0.30030 1.0000 + Cl Cl1593 1.0 0.15209 0.86042 0.30030 1.0000 + Cl Cl1594 1.0 0.11043 0.90209 0.30030 1.0000 + Cl Cl1595 1.0 0.06876 0.94376 0.30030 1.0000 + Cl Cl1596 1.0 0.02709 0.98542 0.30030 1.0000 + Cl Cl1597 1.0 0.52709 0.56876 0.30030 1.0000 + Cl Cl1598 1.0 0.48543 0.61042 0.30030 1.0000 + Cl Cl1599 1.0 0.44376 0.65209 0.30030 1.0000 + Cl Cl1600 1.0 0.40209 0.69376 0.30030 1.0000 + Cl Cl1601 1.0 0.36043 0.73542 0.30030 1.0000 + Cl Cl1602 1.0 0.31876 0.77709 0.30030 1.0000 + Cl Cl1603 1.0 0.27709 0.81876 0.30030 1.0000 + Cl Cl1604 1.0 0.23543 0.86042 0.30030 1.0000 + Cl Cl1605 1.0 0.19376 0.90209 0.30030 1.0000 + Cl Cl1606 1.0 0.15209 0.94376 0.30030 1.0000 + Cl Cl1607 1.0 0.11043 0.98542 0.30030 1.0000 + Cl Cl1608 1.0 0.06876 0.02709 0.30030 1.0000 + Cl Cl1609 1.0 0.56876 0.61042 0.30030 1.0000 + Cl Cl1610 1.0 0.52709 0.65209 0.30030 1.0000 + Cl Cl1611 1.0 0.48543 0.69376 0.30030 1.0000 + Cl Cl1612 1.0 0.44376 0.73542 0.30030 1.0000 + Cl Cl1613 1.0 0.40209 0.77709 0.30030 1.0000 + Cl Cl1614 1.0 0.36043 0.81876 0.30030 1.0000 + Cl Cl1615 1.0 0.31876 0.86042 0.30030 1.0000 + Cl Cl1616 1.0 0.27709 0.90209 0.30030 1.0000 + Cl Cl1617 1.0 0.23543 0.94376 0.30030 1.0000 + Cl Cl1618 1.0 0.19376 0.98542 0.30030 1.0000 + Cl Cl1619 1.0 0.15209 0.02709 0.30030 1.0000 + Cl Cl1620 1.0 0.11043 0.06876 0.30030 1.0000 + Cl Cl1621 1.0 0.61043 0.65209 0.30030 1.0000 + Cl Cl1622 1.0 0.56876 0.69376 0.30030 1.0000 + Cl Cl1623 1.0 0.52709 0.73542 0.30030 1.0000 + Cl Cl1624 1.0 0.48543 0.77709 0.30030 1.0000 + Cl Cl1625 1.0 0.44376 0.81876 0.30030 1.0000 + Cl Cl1626 1.0 0.40209 0.86042 0.30030 1.0000 + Cl Cl1627 1.0 0.36043 0.90209 0.30030 1.0000 + Cl Cl1628 1.0 0.31876 0.94376 0.30030 1.0000 + Cl Cl1629 1.0 0.27709 0.98542 0.30030 1.0000 + Cl Cl1630 1.0 0.23543 0.02709 0.30030 1.0000 + Cl Cl1631 1.0 0.19376 0.06876 0.30030 1.0000 + Cl Cl1632 1.0 0.15209 0.11042 0.30030 1.0000 + Cl Cl1633 1.0 0.65209 0.69376 0.30030 1.0000 + Cl Cl1634 1.0 0.61043 0.73542 0.30030 1.0000 + Cl Cl1635 1.0 0.56876 0.77709 0.30030 1.0000 + Cl Cl1636 1.0 0.52709 0.81876 0.30030 1.0000 + Cl Cl1637 1.0 0.48543 0.86042 0.30030 1.0000 + Cl Cl1638 1.0 0.44376 0.90209 0.30030 1.0000 + Cl Cl1639 1.0 0.40209 0.94376 0.30030 1.0000 + Cl Cl1640 1.0 0.36043 0.98542 0.30030 1.0000 + Cl Cl1641 1.0 0.31876 0.02709 0.30030 1.0000 + Cl Cl1642 1.0 0.27709 0.06876 0.30030 1.0000 + Cl Cl1643 1.0 0.23543 0.11042 0.30030 1.0000 + Cl Cl1644 1.0 0.19376 0.15209 0.30030 1.0000 + Cl Cl1645 1.0 0.69376 0.73542 0.30030 1.0000 + Cl Cl1646 1.0 0.65209 0.77709 0.30030 1.0000 + Cl Cl1647 1.0 0.61043 0.81876 0.30030 1.0000 + Cl Cl1648 1.0 0.56876 0.86042 0.30030 1.0000 + Cl Cl1649 1.0 0.52709 0.90209 0.30030 1.0000 + Cl Cl1650 1.0 0.48543 0.94376 0.30030 1.0000 + Cl Cl1651 1.0 0.44376 0.98542 0.30030 1.0000 + Cl Cl1652 1.0 0.40209 0.02709 0.30030 1.0000 + Cl Cl1653 1.0 0.36043 0.06876 0.30030 1.0000 + Cl Cl1654 1.0 0.31876 0.11042 0.30030 1.0000 + Cl Cl1655 1.0 0.27709 0.15209 0.30030 1.0000 + Cl Cl1656 1.0 0.23543 0.19376 0.30030 1.0000 + Cl Cl1657 1.0 0.73543 0.77709 0.30030 1.0000 + Cl Cl1658 1.0 0.69376 0.81876 0.30030 1.0000 + Cl Cl1659 1.0 0.65209 0.86042 0.30030 1.0000 + Cl Cl1660 1.0 0.61043 0.90209 0.30030 1.0000 + Cl Cl1661 1.0 0.56876 0.94376 0.30030 1.0000 + Cl Cl1662 1.0 0.52709 0.98542 0.30030 1.0000 + Cl Cl1663 1.0 0.48543 0.02709 0.30030 1.0000 + Cl Cl1664 1.0 0.44376 0.06876 0.30030 1.0000 + Cl Cl1665 1.0 0.40209 0.11042 0.30030 1.0000 + Cl Cl1666 1.0 0.36043 0.15209 0.30030 1.0000 + Cl Cl1667 1.0 0.31876 0.19376 0.30030 1.0000 + Cl Cl1668 1.0 0.27709 0.23542 0.30030 1.0000 + Cl Cl1669 1.0 0.77709 0.81876 0.30030 1.0000 + Cl Cl1670 1.0 0.73543 0.86042 0.30030 1.0000 + Cl Cl1671 1.0 0.69376 0.90209 0.30030 1.0000 + Cl Cl1672 1.0 0.65209 0.94376 0.30030 1.0000 + Cl Cl1673 1.0 0.61043 0.98542 0.30030 1.0000 + Cl Cl1674 1.0 0.56876 0.02709 0.30030 1.0000 + Cl Cl1675 1.0 0.52709 0.06876 0.30030 1.0000 + Cl Cl1676 1.0 0.48543 0.11042 0.30030 1.0000 + Cl Cl1677 1.0 0.44376 0.15209 0.30030 1.0000 + Cl Cl1678 1.0 0.40209 0.19376 0.30030 1.0000 + Cl Cl1679 1.0 0.36043 0.23542 0.30030 1.0000 + Cl Cl1680 1.0 0.31876 0.27709 0.30030 1.0000 + Cl Cl1681 1.0 0.81876 0.86042 0.30030 1.0000 + Cl Cl1682 1.0 0.77709 0.90209 0.30030 1.0000 + Cl Cl1683 1.0 0.73543 0.94376 0.30030 1.0000 + Cl Cl1684 1.0 0.69376 0.98542 0.30030 1.0000 + Cl Cl1685 1.0 0.65209 0.02709 0.30030 1.0000 + Cl Cl1686 1.0 0.61043 0.06876 0.30030 1.0000 + Cl Cl1687 1.0 0.56876 0.11042 0.30030 1.0000 + Cl Cl1688 1.0 0.52709 0.15209 0.30030 1.0000 + Cl Cl1689 1.0 0.48543 0.19376 0.30030 1.0000 + Cl Cl1690 1.0 0.44376 0.23542 0.30030 1.0000 + Cl Cl1691 1.0 0.40209 0.27709 0.30030 1.0000 + Cl Cl1692 1.0 0.36043 0.31876 0.30030 1.0000 + Cl Cl1693 1.0 0.86043 0.90209 0.30030 1.0000 + Cl Cl1694 1.0 0.81876 0.94376 0.30030 1.0000 + Cl Cl1695 1.0 0.77709 0.98542 0.30030 1.0000 + Cl Cl1696 1.0 0.73543 0.02709 0.30030 1.0000 + Cl Cl1697 1.0 0.69376 0.06876 0.30030 1.0000 + Cl Cl1698 1.0 0.65209 0.11042 0.30030 1.0000 + Cl Cl1699 1.0 0.61043 0.15209 0.30030 1.0000 + Cl Cl1700 1.0 0.56876 0.19376 0.30030 1.0000 + Cl Cl1701 1.0 0.52709 0.23542 0.30030 1.0000 + Cl Cl1702 1.0 0.48543 0.27709 0.30030 1.0000 + Cl Cl1703 1.0 0.44376 0.31876 0.30030 1.0000 + Cl Cl1704 1.0 0.40209 0.36042 0.30030 1.0000 + Cl Cl1705 1.0 0.90209 0.94376 0.30030 1.0000 + Cl Cl1706 1.0 0.86043 0.98542 0.30030 1.0000 + Cl Cl1707 1.0 0.81876 0.02709 0.30030 1.0000 + Cl Cl1708 1.0 0.77709 0.06876 0.30030 1.0000 + Cl Cl1709 1.0 0.73543 0.11042 0.30030 1.0000 + Cl Cl1710 1.0 0.69376 0.15209 0.30030 1.0000 + Cl Cl1711 1.0 0.65209 0.19376 0.30030 1.0000 + Cl Cl1712 1.0 0.61043 0.23542 0.30030 1.0000 + Cl Cl1713 1.0 0.56876 0.27709 0.30030 1.0000 + Cl Cl1714 1.0 0.52709 0.31876 0.30030 1.0000 + Cl Cl1715 1.0 0.48543 0.36042 0.30030 1.0000 + Cl Cl1716 1.0 0.44376 0.40209 0.30030 1.0000 + Cl Cl1717 1.0 0.94376 0.98542 0.30030 1.0000 + Cl Cl1718 1.0 0.90209 0.02709 0.30030 1.0000 + Cl Cl1719 1.0 0.86043 0.06876 0.30030 1.0000 + Cl Cl1720 1.0 0.81876 0.11042 0.30030 1.0000 + Cl Cl1721 1.0 0.77709 0.15209 0.30030 1.0000 + Cl Cl1722 1.0 0.73543 0.19376 0.30030 1.0000 + Cl Cl1723 1.0 0.69376 0.23542 0.30030 1.0000 + Cl Cl1724 1.0 0.65209 0.27709 0.30030 1.0000 + Cl Cl1725 1.0 0.61043 0.31876 0.30030 1.0000 + Cl Cl1726 1.0 0.56876 0.36042 0.30030 1.0000 + Cl Cl1727 1.0 0.52709 0.40209 0.30030 1.0000 + Cl Cl1728 1.0 0.48543 0.44376 0.30030 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-3467_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-3467_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..542f60273da87f308b6a26b6089d903ad926e698 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-3467_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Te512Rh512Cl512 +_chemical_formula_sum "Te512 Rh512 Cl512" +_cell_length_a 59.161 +_cell_length_b 106.463 +_cell_length_c 6.77212 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Te Te1 1.0 0.04688 0.02648 0.29795 1.0000 + Te Te2 1.0 0.04688 0.08898 0.29795 1.0000 + Te Te3 1.0 0.04688 0.15148 0.29795 1.0000 + Te Te4 1.0 0.04688 0.21398 0.29795 1.0000 + Te Te5 1.0 0.04688 0.27648 0.29795 1.0000 + Te Te6 1.0 0.04688 0.33898 0.29795 1.0000 + Te Te7 1.0 0.04688 0.40148 0.29795 1.0000 + Te Te8 1.0 0.04688 0.46398 0.29795 1.0000 + Te Te9 1.0 0.04688 0.52648 0.29795 1.0000 + Te Te10 1.0 0.04688 0.58898 0.29795 1.0000 + Te Te11 1.0 0.04688 0.65148 0.29795 1.0000 + Te Te12 1.0 0.04688 0.71398 0.29795 1.0000 + Te Te13 1.0 0.04688 0.77648 0.29795 1.0000 + Te Te14 1.0 0.04688 0.83898 0.29795 1.0000 + Te Te15 1.0 0.04688 0.90148 0.29795 1.0000 + Te Te16 1.0 0.04688 0.96398 0.29795 1.0000 + Te Te17 1.0 0.10938 0.02648 0.29795 1.0000 + Te Te18 1.0 0.10938 0.08898 0.29795 1.0000 + Te Te19 1.0 0.10938 0.15148 0.29795 1.0000 + Te Te20 1.0 0.10938 0.21398 0.29795 1.0000 + Te Te21 1.0 0.10938 0.27648 0.29795 1.0000 + Te Te22 1.0 0.10938 0.33898 0.29795 1.0000 + Te Te23 1.0 0.10938 0.40148 0.29795 1.0000 + Te Te24 1.0 0.10938 0.46398 0.29795 1.0000 + Te Te25 1.0 0.10938 0.52648 0.29795 1.0000 + Te Te26 1.0 0.10938 0.58898 0.29795 1.0000 + Te Te27 1.0 0.10938 0.65148 0.29795 1.0000 + Te Te28 1.0 0.10938 0.71398 0.29795 1.0000 + Te Te29 1.0 0.10938 0.77648 0.29795 1.0000 + Te Te30 1.0 0.10938 0.83898 0.29795 1.0000 + Te Te31 1.0 0.10938 0.90148 0.29795 1.0000 + Te Te32 1.0 0.10938 0.96398 0.29795 1.0000 + Te Te33 1.0 0.17188 0.02648 0.29795 1.0000 + Te Te34 1.0 0.17188 0.08898 0.29795 1.0000 + Te Te35 1.0 0.17188 0.15148 0.29795 1.0000 + Te Te36 1.0 0.17188 0.21398 0.29795 1.0000 + Te Te37 1.0 0.17188 0.27648 0.29795 1.0000 + Te Te38 1.0 0.17188 0.33898 0.29795 1.0000 + Te Te39 1.0 0.17188 0.40148 0.29795 1.0000 + Te Te40 1.0 0.17188 0.46398 0.29795 1.0000 + Te Te41 1.0 0.17188 0.52648 0.29795 1.0000 + Te Te42 1.0 0.17188 0.58898 0.29795 1.0000 + Te Te43 1.0 0.17188 0.65148 0.29795 1.0000 + Te Te44 1.0 0.17188 0.71398 0.29795 1.0000 + Te Te45 1.0 0.17188 0.77648 0.29795 1.0000 + Te Te46 1.0 0.17188 0.83898 0.29795 1.0000 + Te Te47 1.0 0.17188 0.90148 0.29795 1.0000 + Te Te48 1.0 0.17188 0.96398 0.29795 1.0000 + Te Te49 1.0 0.23438 0.02648 0.29795 1.0000 + Te Te50 1.0 0.23438 0.08898 0.29795 1.0000 + Te Te51 1.0 0.23438 0.15148 0.29795 1.0000 + Te Te52 1.0 0.23438 0.21398 0.29795 1.0000 + Te Te53 1.0 0.23438 0.27648 0.29795 1.0000 + Te Te54 1.0 0.23438 0.33898 0.29795 1.0000 + Te Te55 1.0 0.23438 0.40148 0.29795 1.0000 + Te Te56 1.0 0.23438 0.46398 0.29795 1.0000 + Te Te57 1.0 0.23438 0.52648 0.29795 1.0000 + Te Te58 1.0 0.23438 0.58898 0.29795 1.0000 + Te Te59 1.0 0.23438 0.65148 0.29795 1.0000 + Te Te60 1.0 0.23438 0.71398 0.29795 1.0000 + Te Te61 1.0 0.23438 0.77648 0.29795 1.0000 + Te Te62 1.0 0.23438 0.83898 0.29795 1.0000 + Te Te63 1.0 0.23438 0.90148 0.29795 1.0000 + Te Te64 1.0 0.23438 0.96398 0.29795 1.0000 + Te Te65 1.0 0.29688 0.02648 0.29795 1.0000 + Te Te66 1.0 0.29688 0.08898 0.29795 1.0000 + Te Te67 1.0 0.29688 0.15148 0.29795 1.0000 + Te Te68 1.0 0.29688 0.21398 0.29795 1.0000 + Te Te69 1.0 0.29688 0.27648 0.29795 1.0000 + Te Te70 1.0 0.29688 0.33898 0.29795 1.0000 + Te Te71 1.0 0.29688 0.40148 0.29795 1.0000 + Te Te72 1.0 0.29688 0.46398 0.29795 1.0000 + Te Te73 1.0 0.29688 0.52648 0.29795 1.0000 + Te Te74 1.0 0.29688 0.58898 0.29795 1.0000 + Te Te75 1.0 0.29688 0.65148 0.29795 1.0000 + Te Te76 1.0 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Te Te337 1.0 0.32813 0.03602 0.70205 1.0000 + Te Te338 1.0 0.32813 0.09852 0.70205 1.0000 + Te Te339 1.0 0.32813 0.16102 0.70205 1.0000 + Te Te340 1.0 0.32813 0.22352 0.70205 1.0000 + Te Te341 1.0 0.32813 0.28602 0.70205 1.0000 + Te Te342 1.0 0.32813 0.34852 0.70205 1.0000 + Te Te343 1.0 0.32813 0.41102 0.70205 1.0000 + Te Te344 1.0 0.32813 0.47352 0.70205 1.0000 + Te Te345 1.0 0.32813 0.53602 0.70205 1.0000 + Te Te346 1.0 0.32813 0.59852 0.70205 1.0000 + Te Te347 1.0 0.32813 0.66102 0.70205 1.0000 + Te Te348 1.0 0.32813 0.72352 0.70205 1.0000 + Te Te349 1.0 0.32813 0.78602 0.70205 1.0000 + Te Te350 1.0 0.32813 0.84852 0.70205 1.0000 + Te Te351 1.0 0.32813 0.91102 0.70205 1.0000 + Te Te352 1.0 0.32813 0.97352 0.70205 1.0000 + Te Te353 1.0 0.39063 0.03602 0.70205 1.0000 + Te Te354 1.0 0.39063 0.09852 0.70205 1.0000 + Te Te355 1.0 0.39063 0.16102 0.70205 1.0000 + Te Te356 1.0 0.39063 0.22352 0.70205 1.0000 + Te Te357 1.0 0.39063 0.28602 0.70205 1.0000 + Te Te358 1.0 0.39063 0.34852 0.70205 1.0000 + Te Te359 1.0 0.39063 0.41102 0.70205 1.0000 + Te Te360 1.0 0.39063 0.47352 0.70205 1.0000 + Te Te361 1.0 0.39063 0.53602 0.70205 1.0000 + Te Te362 1.0 0.39063 0.59852 0.70205 1.0000 + Te Te363 1.0 0.39063 0.66102 0.70205 1.0000 + Te Te364 1.0 0.39063 0.72352 0.70205 1.0000 + Te Te365 1.0 0.39063 0.78602 0.70205 1.0000 + Te Te366 1.0 0.39063 0.84852 0.70205 1.0000 + Te Te367 1.0 0.39063 0.91102 0.70205 1.0000 + Te Te368 1.0 0.39063 0.97352 0.70205 1.0000 + Te Te369 1.0 0.45313 0.03602 0.70205 1.0000 + Te Te370 1.0 0.45313 0.09852 0.70205 1.0000 + Te Te371 1.0 0.45313 0.16102 0.70205 1.0000 + Te Te372 1.0 0.45313 0.22352 0.70205 1.0000 + Te Te373 1.0 0.45313 0.28602 0.70205 1.0000 + Te Te374 1.0 0.45313 0.34852 0.70205 1.0000 + Te Te375 1.0 0.45313 0.41102 0.70205 1.0000 + Te Te376 1.0 0.45313 0.47352 0.70205 1.0000 + Te Te377 1.0 0.45313 0.53602 0.70205 1.0000 + Te Te378 1.0 0.45313 0.59852 0.70205 1.0000 + Te Te379 1.0 0.45313 0.66102 0.70205 1.0000 + Te Te380 1.0 0.45313 0.72352 0.70205 1.0000 + Te Te381 1.0 0.45313 0.78602 0.70205 1.0000 + Te Te382 1.0 0.45313 0.84852 0.70205 1.0000 + Te Te383 1.0 0.45313 0.91102 0.70205 1.0000 + Te Te384 1.0 0.45313 0.97352 0.70205 1.0000 + Te Te385 1.0 0.51562 0.03602 0.70205 1.0000 + Te Te386 1.0 0.51562 0.09852 0.70205 1.0000 + Te Te387 1.0 0.51562 0.16102 0.70205 1.0000 + Te Te388 1.0 0.51562 0.22352 0.70205 1.0000 + Te Te389 1.0 0.51562 0.28602 0.70205 1.0000 + Te Te390 1.0 0.51562 0.34852 0.70205 1.0000 + Te Te391 1.0 0.51562 0.41102 0.70205 1.0000 + Te Te392 1.0 0.51562 0.47352 0.70205 1.0000 + Te Te393 1.0 0.51562 0.53602 0.70205 1.0000 + Te Te394 1.0 0.51562 0.59852 0.70205 1.0000 + Te Te395 1.0 0.51562 0.66102 0.70205 1.0000 + Te Te396 1.0 0.51562 0.72352 0.70205 1.0000 + Te Te397 1.0 0.51562 0.78602 0.70205 1.0000 + Te Te398 1.0 0.51562 0.84852 0.70205 1.0000 + Te Te399 1.0 0.51562 0.91102 0.70205 1.0000 + Te Te400 1.0 0.51562 0.97352 0.70205 1.0000 + Te Te401 1.0 0.57813 0.03602 0.70205 1.0000 + Te Te402 1.0 0.57813 0.09852 0.70205 1.0000 + Te Te403 1.0 0.57813 0.16102 0.70205 1.0000 + Te Te404 1.0 0.57813 0.22352 0.70205 1.0000 + Te Te405 1.0 0.57813 0.28602 0.70205 1.0000 + Te Te406 1.0 0.57813 0.34852 0.70205 1.0000 + Te Te407 1.0 0.57813 0.41102 0.70205 1.0000 + Te Te408 1.0 0.57813 0.47352 0.70205 1.0000 + Te Te409 1.0 0.57813 0.53602 0.70205 1.0000 + Te Te410 1.0 0.57813 0.59852 0.70205 1.0000 + Te Te411 1.0 0.57813 0.66102 0.70205 1.0000 + Te Te412 1.0 0.57813 0.72352 0.70205 1.0000 + Te Te413 1.0 0.57813 0.78602 0.70205 1.0000 + Te Te414 1.0 0.57813 0.84852 0.70205 1.0000 + Te Te415 1.0 0.57813 0.91102 0.70205 1.0000 + Te Te416 1.0 0.57813 0.97352 0.70205 1.0000 + Te Te417 1.0 0.64062 0.03602 0.70205 1.0000 + Te Te418 1.0 0.64062 0.09852 0.70205 1.0000 + Te Te419 1.0 0.64062 0.16102 0.70205 1.0000 + Te Te420 1.0 0.64062 0.22352 0.70205 1.0000 + Te Te421 1.0 0.64062 0.28602 0.70205 1.0000 + Te Te422 1.0 0.64062 0.34852 0.70205 1.0000 + Te Te423 1.0 0.64062 0.41102 0.70205 1.0000 + Te Te424 1.0 0.64062 0.47352 0.70205 1.0000 + Te Te425 1.0 0.64062 0.53602 0.70205 1.0000 + Te Te426 1.0 0.64062 0.59852 0.70205 1.0000 + Te Te427 1.0 0.64062 0.66102 0.70205 1.0000 + Te Te428 1.0 0.64062 0.72352 0.70205 1.0000 + Te Te429 1.0 0.64062 0.78602 0.70205 1.0000 + Te Te430 1.0 0.64062 0.84852 0.70205 1.0000 + Te Te431 1.0 0.64062 0.91102 0.70205 1.0000 + Te Te432 1.0 0.64062 0.97352 0.70205 1.0000 + Te Te433 1.0 0.70313 0.03602 0.70205 1.0000 + Te Te434 1.0 0.70313 0.09852 0.70205 1.0000 + Te Te435 1.0 0.70313 0.16102 0.70205 1.0000 + Te Te436 1.0 0.70313 0.22352 0.70205 1.0000 + Te Te437 1.0 0.70313 0.28602 0.70205 1.0000 + Te Te438 1.0 0.70313 0.34852 0.70205 1.0000 + Te Te439 1.0 0.70313 0.41102 0.70205 1.0000 + Te Te440 1.0 0.70313 0.47352 0.70205 1.0000 + Te Te441 1.0 0.70313 0.53602 0.70205 1.0000 + Te Te442 1.0 0.70313 0.59852 0.70205 1.0000 + Te Te443 1.0 0.70313 0.66102 0.70205 1.0000 + Te Te444 1.0 0.70313 0.72352 0.70205 1.0000 + Te Te445 1.0 0.70313 0.78602 0.70205 1.0000 + Te Te446 1.0 0.70313 0.84852 0.70205 1.0000 + Te Te447 1.0 0.70313 0.91102 0.70205 1.0000 + Te Te448 1.0 0.70313 0.97352 0.70205 1.0000 + Te Te449 1.0 0.76562 0.03602 0.70205 1.0000 + Te Te450 1.0 0.76562 0.09852 0.70205 1.0000 + Te Te451 1.0 0.76562 0.16102 0.70205 1.0000 + Te Te452 1.0 0.76562 0.22352 0.70205 1.0000 + Te Te453 1.0 0.76562 0.28602 0.70205 1.0000 + Te Te454 1.0 0.76562 0.34852 0.70205 1.0000 + Te Te455 1.0 0.76562 0.41102 0.70205 1.0000 + Te Te456 1.0 0.76562 0.47352 0.70205 1.0000 + Te Te457 1.0 0.76562 0.53602 0.70205 1.0000 + Te Te458 1.0 0.76562 0.59852 0.70205 1.0000 + Te Te459 1.0 0.76562 0.66102 0.70205 1.0000 + Te Te460 1.0 0.76562 0.72352 0.70205 1.0000 + Te Te461 1.0 0.76562 0.78602 0.70205 1.0000 + Te Te462 1.0 0.76562 0.84852 0.70205 1.0000 + Te Te463 1.0 0.76562 0.91102 0.70205 1.0000 + Te Te464 1.0 0.76562 0.97352 0.70205 1.0000 + Te Te465 1.0 0.82813 0.03602 0.70205 1.0000 + Te Te466 1.0 0.82813 0.09852 0.70205 1.0000 + Te Te467 1.0 0.82813 0.16102 0.70205 1.0000 + Te Te468 1.0 0.82813 0.22352 0.70205 1.0000 + Te Te469 1.0 0.82813 0.28602 0.70205 1.0000 + Te Te470 1.0 0.82813 0.34852 0.70205 1.0000 + Te Te471 1.0 0.82813 0.41102 0.70205 1.0000 + Te Te472 1.0 0.82813 0.47352 0.70205 1.0000 + Te Te473 1.0 0.82813 0.53602 0.70205 1.0000 + Te Te474 1.0 0.82813 0.59852 0.70205 1.0000 + Te Te475 1.0 0.82813 0.66102 0.70205 1.0000 + Te Te476 1.0 0.82813 0.72352 0.70205 1.0000 + Te Te477 1.0 0.82813 0.78602 0.70205 1.0000 + Te Te478 1.0 0.82813 0.84852 0.70205 1.0000 + Te Te479 1.0 0.82813 0.91102 0.70205 1.0000 + Te Te480 1.0 0.82813 0.97352 0.70205 1.0000 + Te Te481 1.0 0.89063 0.03602 0.70205 1.0000 + Te Te482 1.0 0.89063 0.09852 0.70205 1.0000 + Te Te483 1.0 0.89063 0.16102 0.70205 1.0000 + Te Te484 1.0 0.89063 0.22352 0.70205 1.0000 + Te Te485 1.0 0.89063 0.28602 0.70205 1.0000 + Te Te486 1.0 0.89063 0.34852 0.70205 1.0000 + Te Te487 1.0 0.89063 0.41102 0.70205 1.0000 + Te Te488 1.0 0.89063 0.47352 0.70205 1.0000 + Te Te489 1.0 0.89063 0.53602 0.70205 1.0000 + Te Te490 1.0 0.89063 0.59852 0.70205 1.0000 + Te Te491 1.0 0.89063 0.66102 0.70205 1.0000 + Te Te492 1.0 0.89063 0.72352 0.70205 1.0000 + Te Te493 1.0 0.89063 0.78602 0.70205 1.0000 + Te Te494 1.0 0.89063 0.84852 0.70205 1.0000 + Te Te495 1.0 0.89063 0.91102 0.70205 1.0000 + Te Te496 1.0 0.89063 0.97352 0.70205 1.0000 + Te Te497 1.0 0.95313 0.03602 0.70205 1.0000 + Te Te498 1.0 0.95313 0.09852 0.70205 1.0000 + Te Te499 1.0 0.95313 0.16102 0.70205 1.0000 + Te Te500 1.0 0.95313 0.22352 0.70205 1.0000 + Te Te501 1.0 0.95313 0.28602 0.70205 1.0000 + Te Te502 1.0 0.95313 0.34852 0.70205 1.0000 + Te Te503 1.0 0.95313 0.41102 0.70205 1.0000 + Te Te504 1.0 0.95313 0.47352 0.70205 1.0000 + Te Te505 1.0 0.95313 0.53602 0.70205 1.0000 + Te Te506 1.0 0.95313 0.59852 0.70205 1.0000 + Te Te507 1.0 0.95313 0.66102 0.70205 1.0000 + Te Te508 1.0 0.95313 0.72352 0.70205 1.0000 + Te Te509 1.0 0.95313 0.78602 0.70205 1.0000 + Te Te510 1.0 0.95313 0.84852 0.70205 1.0000 + Te Te511 1.0 0.95313 0.91102 0.70205 1.0000 + Te Te512 1.0 0.95313 0.97352 0.70205 1.0000 + Rh Rh1 1.0 0.01562 0.01532 0.49857 1.0000 + Rh Rh2 1.0 0.01562 0.07782 0.49857 1.0000 + Rh Rh3 1.0 0.01562 0.14032 0.49857 1.0000 + Rh Rh4 1.0 0.01562 0.20282 0.49857 1.0000 + Rh Rh5 1.0 0.01562 0.26532 0.49857 1.0000 + Rh Rh6 1.0 0.01562 0.32782 0.49857 1.0000 + Rh Rh7 1.0 0.01562 0.39032 0.49857 1.0000 + Rh Rh8 1.0 0.01562 0.45282 0.49857 1.0000 + Rh Rh9 1.0 0.01562 0.51532 0.49857 1.0000 + Rh Rh10 1.0 0.01562 0.57782 0.49857 1.0000 + Rh Rh11 1.0 0.01562 0.64032 0.49857 1.0000 + Rh Rh12 1.0 0.01562 0.70282 0.49857 1.0000 + Rh Rh13 1.0 0.01562 0.76532 0.49857 1.0000 + Rh Rh14 1.0 0.01562 0.82782 0.49857 1.0000 + Rh Rh15 1.0 0.01562 0.89032 0.49857 1.0000 + Rh Rh16 1.0 0.01562 0.95282 0.49857 1.0000 + Rh Rh17 1.0 0.07813 0.01532 0.49857 1.0000 + Rh Rh18 1.0 0.07813 0.07782 0.49857 1.0000 + Rh Rh19 1.0 0.07813 0.14032 0.49857 1.0000 + Rh Rh20 1.0 0.07813 0.20282 0.49857 1.0000 + Rh Rh21 1.0 0.07813 0.26532 0.49857 1.0000 + Rh Rh22 1.0 0.07813 0.32782 0.49857 1.0000 + Rh Rh23 1.0 0.07813 0.39032 0.49857 1.0000 + Rh Rh24 1.0 0.07813 0.45282 0.49857 1.0000 + Rh Rh25 1.0 0.07813 0.51532 0.49857 1.0000 + Rh Rh26 1.0 0.07813 0.57782 0.49857 1.0000 + Rh Rh27 1.0 0.07813 0.64032 0.49857 1.0000 + Rh Rh28 1.0 0.07813 0.70282 0.49857 1.0000 + Rh Rh29 1.0 0.07813 0.76532 0.49857 1.0000 + Rh Rh30 1.0 0.07813 0.82782 0.49857 1.0000 + Rh Rh31 1.0 0.07813 0.89032 0.49857 1.0000 + Rh Rh32 1.0 0.07813 0.95282 0.49857 1.0000 + Rh Rh33 1.0 0.14062 0.01532 0.49857 1.0000 + Rh Rh34 1.0 0.14062 0.07782 0.49857 1.0000 + Rh Rh35 1.0 0.14062 0.14032 0.49857 1.0000 + Rh Rh36 1.0 0.14062 0.20282 0.49857 1.0000 + Rh Rh37 1.0 0.14062 0.26532 0.49857 1.0000 + Rh Rh38 1.0 0.14062 0.32782 0.49857 1.0000 + Rh Rh39 1.0 0.14062 0.39032 0.49857 1.0000 + Rh Rh40 1.0 0.14062 0.45282 0.49857 1.0000 + Rh Rh41 1.0 0.14062 0.51532 0.49857 1.0000 + Rh Rh42 1.0 0.14062 0.57782 0.49857 1.0000 + Rh Rh43 1.0 0.14062 0.64032 0.49857 1.0000 + Rh Rh44 1.0 0.14062 0.70282 0.49857 1.0000 + Rh Rh45 1.0 0.14062 0.76532 0.49857 1.0000 + Rh Rh46 1.0 0.14062 0.82782 0.49857 1.0000 + Rh Rh47 1.0 0.14062 0.89032 0.49857 1.0000 + Rh Rh48 1.0 0.14062 0.95282 0.49857 1.0000 + Rh Rh49 1.0 0.20312 0.01532 0.49857 1.0000 + Rh Rh50 1.0 0.20312 0.07782 0.49857 1.0000 + Rh Rh51 1.0 0.20312 0.14032 0.49857 1.0000 + Rh Rh52 1.0 0.20312 0.20282 0.49857 1.0000 + Rh Rh53 1.0 0.20312 0.26532 0.49857 1.0000 + Rh Rh54 1.0 0.20312 0.32782 0.49857 1.0000 + Rh Rh55 1.0 0.20312 0.39032 0.49857 1.0000 + Rh Rh56 1.0 0.20312 0.45282 0.49857 1.0000 + Rh Rh57 1.0 0.20312 0.51532 0.49857 1.0000 + Rh Rh58 1.0 0.20312 0.57782 0.49857 1.0000 + Rh Rh59 1.0 0.20312 0.64032 0.49857 1.0000 + Rh Rh60 1.0 0.20312 0.70282 0.49857 1.0000 + Rh Rh61 1.0 0.20312 0.76532 0.49857 1.0000 + Rh Rh62 1.0 0.20312 0.82782 0.49857 1.0000 + Rh Rh63 1.0 0.20312 0.89032 0.49857 1.0000 + Rh Rh64 1.0 0.20312 0.95282 0.49857 1.0000 + Rh Rh65 1.0 0.26563 0.01532 0.49857 1.0000 + Rh Rh66 1.0 0.26563 0.07782 0.49857 1.0000 + Rh Rh67 1.0 0.26563 0.14032 0.49857 1.0000 + Rh Rh68 1.0 0.26563 0.20282 0.49857 1.0000 + Rh Rh69 1.0 0.26563 0.26532 0.49857 1.0000 + Rh Rh70 1.0 0.26563 0.32782 0.49857 1.0000 + Rh Rh71 1.0 0.26563 0.39032 0.49857 1.0000 + Rh Rh72 1.0 0.26563 0.45282 0.49857 1.0000 + Rh Rh73 1.0 0.26563 0.51532 0.49857 1.0000 + Rh Rh74 1.0 0.26563 0.57782 0.49857 1.0000 + Rh Rh75 1.0 0.26563 0.64032 0.49857 1.0000 + Rh Rh76 1.0 0.26563 0.70282 0.49857 1.0000 + Rh Rh77 1.0 0.26563 0.76532 0.49857 1.0000 + Rh Rh78 1.0 0.26563 0.82782 0.49857 1.0000 + Rh Rh79 1.0 0.26563 0.89032 0.49857 1.0000 + Rh Rh80 1.0 0.26563 0.95282 0.49857 1.0000 + Rh Rh81 1.0 0.32813 0.01532 0.49857 1.0000 + Rh Rh82 1.0 0.32813 0.07782 0.49857 1.0000 + Rh Rh83 1.0 0.32813 0.14032 0.49857 1.0000 + Rh Rh84 1.0 0.32813 0.20282 0.49857 1.0000 + Rh Rh85 1.0 0.32813 0.26532 0.49857 1.0000 + Rh Rh86 1.0 0.32813 0.32782 0.49857 1.0000 + Rh Rh87 1.0 0.32813 0.39032 0.49857 1.0000 + Rh Rh88 1.0 0.32813 0.45282 0.49857 1.0000 + Rh Rh89 1.0 0.32813 0.51532 0.49857 1.0000 + Rh Rh90 1.0 0.32813 0.57782 0.49857 1.0000 + Rh Rh91 1.0 0.32813 0.64032 0.49857 1.0000 + Rh Rh92 1.0 0.32813 0.70282 0.49857 1.0000 + Rh Rh93 1.0 0.32813 0.76532 0.49857 1.0000 + Rh Rh94 1.0 0.32813 0.82782 0.49857 1.0000 + Rh Rh95 1.0 0.32813 0.89032 0.49857 1.0000 + Rh Rh96 1.0 0.32813 0.95282 0.49857 1.0000 + Rh Rh97 1.0 0.39063 0.01532 0.49857 1.0000 + Rh Rh98 1.0 0.39063 0.07782 0.49857 1.0000 + Rh Rh99 1.0 0.39063 0.14032 0.49857 1.0000 + Rh Rh100 1.0 0.39063 0.20282 0.49857 1.0000 + Rh Rh101 1.0 0.39063 0.26532 0.49857 1.0000 + Rh Rh102 1.0 0.39063 0.32782 0.49857 1.0000 + Rh Rh103 1.0 0.39063 0.39032 0.49857 1.0000 + Rh Rh104 1.0 0.39063 0.45282 0.49857 1.0000 + Rh Rh105 1.0 0.39063 0.51532 0.49857 1.0000 + Rh Rh106 1.0 0.39063 0.57782 0.49857 1.0000 + Rh Rh107 1.0 0.39063 0.64032 0.49857 1.0000 + Rh Rh108 1.0 0.39063 0.70282 0.49857 1.0000 + Rh Rh109 1.0 0.39063 0.76532 0.49857 1.0000 + Rh Rh110 1.0 0.39063 0.82782 0.49857 1.0000 + Rh Rh111 1.0 0.39063 0.89032 0.49857 1.0000 + Rh Rh112 1.0 0.39063 0.95282 0.49857 1.0000 + Rh Rh113 1.0 0.45313 0.01532 0.49857 1.0000 + Rh Rh114 1.0 0.45313 0.07782 0.49857 1.0000 + Rh Rh115 1.0 0.45313 0.14032 0.49857 1.0000 + Rh Rh116 1.0 0.45313 0.20282 0.49857 1.0000 + Rh Rh117 1.0 0.45313 0.26532 0.49857 1.0000 + Rh Rh118 1.0 0.45313 0.32782 0.49857 1.0000 + Rh Rh119 1.0 0.45313 0.39032 0.49857 1.0000 + Rh Rh120 1.0 0.45313 0.45282 0.49857 1.0000 + Rh Rh121 1.0 0.45313 0.51532 0.49857 1.0000 + Rh Rh122 1.0 0.45313 0.57782 0.49857 1.0000 + Rh Rh123 1.0 0.45313 0.64032 0.49857 1.0000 + Rh Rh124 1.0 0.45313 0.70282 0.49857 1.0000 + Rh Rh125 1.0 0.45313 0.76532 0.49857 1.0000 + Rh Rh126 1.0 0.45313 0.82782 0.49857 1.0000 + Rh Rh127 1.0 0.45313 0.89032 0.49857 1.0000 + Rh Rh128 1.0 0.45313 0.95282 0.49857 1.0000 + Rh Rh129 1.0 0.51562 0.01532 0.49857 1.0000 + Rh Rh130 1.0 0.51562 0.07782 0.49857 1.0000 + Rh Rh131 1.0 0.51562 0.14032 0.49857 1.0000 + Rh Rh132 1.0 0.51562 0.20282 0.49857 1.0000 + Rh Rh133 1.0 0.51562 0.26532 0.49857 1.0000 + Rh Rh134 1.0 0.51562 0.32782 0.49857 1.0000 + Rh Rh135 1.0 0.51562 0.39032 0.49857 1.0000 + Rh Rh136 1.0 0.51562 0.45282 0.49857 1.0000 + Rh Rh137 1.0 0.51562 0.51532 0.49857 1.0000 + Rh Rh138 1.0 0.51562 0.57782 0.49857 1.0000 + Rh Rh139 1.0 0.51562 0.64032 0.49857 1.0000 + Rh Rh140 1.0 0.51562 0.70282 0.49857 1.0000 + Rh Rh141 1.0 0.51562 0.76532 0.49857 1.0000 + Rh Rh142 1.0 0.51562 0.82782 0.49857 1.0000 + Rh Rh143 1.0 0.51562 0.89032 0.49857 1.0000 + Rh Rh144 1.0 0.51562 0.95282 0.49857 1.0000 + Rh Rh145 1.0 0.57813 0.01532 0.49857 1.0000 + Rh Rh146 1.0 0.57813 0.07782 0.49857 1.0000 + Rh Rh147 1.0 0.57813 0.14032 0.49857 1.0000 + Rh Rh148 1.0 0.57813 0.20282 0.49857 1.0000 + Rh Rh149 1.0 0.57813 0.26532 0.49857 1.0000 + Rh Rh150 1.0 0.57813 0.32782 0.49857 1.0000 + Rh Rh151 1.0 0.57813 0.39032 0.49857 1.0000 + Rh Rh152 1.0 0.57813 0.45282 0.49857 1.0000 + Rh Rh153 1.0 0.57813 0.51532 0.49857 1.0000 + Rh Rh154 1.0 0.57813 0.57782 0.49857 1.0000 + Rh Rh155 1.0 0.57813 0.64032 0.49857 1.0000 + Rh Rh156 1.0 0.57813 0.70282 0.49857 1.0000 + Rh Rh157 1.0 0.57813 0.76532 0.49857 1.0000 + Rh Rh158 1.0 0.57813 0.82782 0.49857 1.0000 + Rh Rh159 1.0 0.57813 0.89032 0.49857 1.0000 + Rh Rh160 1.0 0.57813 0.95282 0.49857 1.0000 + Rh Rh161 1.0 0.64062 0.01532 0.49857 1.0000 + Rh Rh162 1.0 0.64062 0.07782 0.49857 1.0000 + Rh Rh163 1.0 0.64062 0.14032 0.49857 1.0000 + Rh Rh164 1.0 0.64062 0.20282 0.49857 1.0000 + Rh Rh165 1.0 0.64062 0.26532 0.49857 1.0000 + Rh Rh166 1.0 0.64062 0.32782 0.49857 1.0000 + Rh Rh167 1.0 0.64062 0.39032 0.49857 1.0000 + Rh Rh168 1.0 0.64062 0.45282 0.49857 1.0000 + Rh Rh169 1.0 0.64062 0.51532 0.49857 1.0000 + Rh Rh170 1.0 0.64062 0.57782 0.49857 1.0000 + Rh Rh171 1.0 0.64062 0.64032 0.49857 1.0000 + Rh Rh172 1.0 0.64062 0.70282 0.49857 1.0000 + Rh Rh173 1.0 0.64062 0.76532 0.49857 1.0000 + Rh Rh174 1.0 0.64062 0.82782 0.49857 1.0000 + Rh Rh175 1.0 0.64062 0.89032 0.49857 1.0000 + Rh Rh176 1.0 0.64062 0.95282 0.49857 1.0000 + Rh Rh177 1.0 0.70313 0.01532 0.49857 1.0000 + Rh Rh178 1.0 0.70313 0.07782 0.49857 1.0000 + Rh Rh179 1.0 0.70313 0.14032 0.49857 1.0000 + Rh Rh180 1.0 0.70313 0.20282 0.49857 1.0000 + Rh Rh181 1.0 0.70313 0.26532 0.49857 1.0000 + Rh Rh182 1.0 0.70313 0.32782 0.49857 1.0000 + Rh Rh183 1.0 0.70313 0.39032 0.49857 1.0000 + Rh Rh184 1.0 0.70313 0.45282 0.49857 1.0000 + Rh Rh185 1.0 0.70313 0.51532 0.49857 1.0000 + Rh Rh186 1.0 0.70313 0.57782 0.49857 1.0000 + Rh Rh187 1.0 0.70313 0.64032 0.49857 1.0000 + Rh Rh188 1.0 0.70313 0.70282 0.49857 1.0000 + Rh Rh189 1.0 0.70313 0.76532 0.49857 1.0000 + Rh Rh190 1.0 0.70313 0.82782 0.49857 1.0000 + Rh Rh191 1.0 0.70313 0.89032 0.49857 1.0000 + Rh Rh192 1.0 0.70313 0.95282 0.49857 1.0000 + Rh Rh193 1.0 0.76562 0.01532 0.49857 1.0000 + Rh Rh194 1.0 0.76562 0.07782 0.49857 1.0000 + Rh Rh195 1.0 0.76562 0.14032 0.49857 1.0000 + Rh Rh196 1.0 0.76562 0.20282 0.49857 1.0000 + Rh Rh197 1.0 0.76562 0.26532 0.49857 1.0000 + Rh Rh198 1.0 0.76562 0.32782 0.49857 1.0000 + Rh Rh199 1.0 0.76562 0.39032 0.49857 1.0000 + Rh Rh200 1.0 0.76562 0.45282 0.49857 1.0000 + Rh Rh201 1.0 0.76562 0.51532 0.49857 1.0000 + Rh Rh202 1.0 0.76562 0.57782 0.49857 1.0000 + Rh Rh203 1.0 0.76562 0.64032 0.49857 1.0000 + Rh Rh204 1.0 0.76562 0.70282 0.49857 1.0000 + Rh Rh205 1.0 0.76562 0.76532 0.49857 1.0000 + Rh Rh206 1.0 0.76562 0.82782 0.49857 1.0000 + Rh Rh207 1.0 0.76562 0.89032 0.49857 1.0000 + Rh Rh208 1.0 0.76562 0.95282 0.49857 1.0000 + Rh Rh209 1.0 0.82813 0.01532 0.49857 1.0000 + Rh Rh210 1.0 0.82813 0.07782 0.49857 1.0000 + Rh Rh211 1.0 0.82813 0.14032 0.49857 1.0000 + Rh Rh212 1.0 0.82813 0.20282 0.49857 1.0000 + Rh Rh213 1.0 0.82813 0.26532 0.49857 1.0000 + Rh Rh214 1.0 0.82813 0.32782 0.49857 1.0000 + Rh Rh215 1.0 0.82813 0.39032 0.49857 1.0000 + Rh Rh216 1.0 0.82813 0.45282 0.49857 1.0000 + Rh Rh217 1.0 0.82813 0.51532 0.49857 1.0000 + Rh Rh218 1.0 0.82813 0.57782 0.49857 1.0000 + Rh Rh219 1.0 0.82813 0.64032 0.49857 1.0000 + Rh Rh220 1.0 0.82813 0.70282 0.49857 1.0000 + Rh Rh221 1.0 0.82813 0.76532 0.49857 1.0000 + Rh Rh222 1.0 0.82813 0.82782 0.49857 1.0000 + Rh Rh223 1.0 0.82813 0.89032 0.49857 1.0000 + Rh Rh224 1.0 0.82813 0.95282 0.49857 1.0000 + Rh Rh225 1.0 0.89063 0.01532 0.49857 1.0000 + Rh Rh226 1.0 0.89063 0.07782 0.49857 1.0000 + Rh Rh227 1.0 0.89063 0.14032 0.49857 1.0000 + Rh Rh228 1.0 0.89063 0.20282 0.49857 1.0000 + Rh Rh229 1.0 0.89063 0.26532 0.49857 1.0000 + Rh Rh230 1.0 0.89063 0.32782 0.49857 1.0000 + Rh Rh231 1.0 0.89063 0.39032 0.49857 1.0000 + Rh Rh232 1.0 0.89063 0.45282 0.49857 1.0000 + Rh Rh233 1.0 0.89063 0.51532 0.49857 1.0000 + Rh Rh234 1.0 0.89063 0.57782 0.49857 1.0000 + Rh Rh235 1.0 0.89063 0.64032 0.49857 1.0000 + Rh Rh236 1.0 0.89063 0.70282 0.49857 1.0000 + Rh Rh237 1.0 0.89063 0.76532 0.49857 1.0000 + Rh Rh238 1.0 0.89063 0.82782 0.49857 1.0000 + Rh Rh239 1.0 0.89063 0.89032 0.49857 1.0000 + Rh Rh240 1.0 0.89063 0.95282 0.49857 1.0000 + Rh Rh241 1.0 0.95313 0.01532 0.49857 1.0000 + Rh Rh242 1.0 0.95313 0.07782 0.49857 1.0000 + Rh Rh243 1.0 0.95313 0.14032 0.49857 1.0000 + Rh Rh244 1.0 0.95313 0.20282 0.49857 1.0000 + Rh Rh245 1.0 0.95313 0.26532 0.49857 1.0000 + Rh Rh246 1.0 0.95313 0.32782 0.49857 1.0000 + Rh Rh247 1.0 0.95313 0.39032 0.49857 1.0000 + Rh Rh248 1.0 0.95313 0.45282 0.49857 1.0000 + Rh Rh249 1.0 0.95313 0.51532 0.49857 1.0000 + Rh Rh250 1.0 0.95313 0.57782 0.49857 1.0000 + Rh Rh251 1.0 0.95313 0.64032 0.49857 1.0000 + Rh Rh252 1.0 0.95313 0.70282 0.49857 1.0000 + Rh Rh253 1.0 0.95313 0.76532 0.49857 1.0000 + Rh Rh254 1.0 0.95313 0.82782 0.49857 1.0000 + Rh Rh255 1.0 0.95313 0.89032 0.49857 1.0000 + Rh Rh256 1.0 0.95313 0.95282 0.49857 1.0000 + Rh Rh257 1.0 0.04688 0.04718 0.50143 1.0000 + Rh Rh258 1.0 0.04688 0.10968 0.50143 1.0000 + Rh Rh259 1.0 0.04688 0.17218 0.50143 1.0000 + Rh Rh260 1.0 0.04688 0.23468 0.50143 1.0000 + Rh Rh261 1.0 0.04688 0.29718 0.50143 1.0000 + Rh Rh262 1.0 0.04688 0.35968 0.50143 1.0000 + Rh Rh263 1.0 0.04688 0.42218 0.50143 1.0000 + Rh Rh264 1.0 0.04688 0.48468 0.50143 1.0000 + Rh Rh265 1.0 0.04688 0.54718 0.50143 1.0000 + Rh Rh266 1.0 0.04688 0.60968 0.50143 1.0000 + Rh Rh267 1.0 0.04688 0.67218 0.50143 1.0000 + Rh Rh268 1.0 0.04688 0.73468 0.50143 1.0000 + Rh Rh269 1.0 0.04688 0.79718 0.50143 1.0000 + Rh Rh270 1.0 0.04688 0.85968 0.50143 1.0000 + Rh Rh271 1.0 0.04688 0.92218 0.50143 1.0000 + Rh Rh272 1.0 0.04688 0.98468 0.50143 1.0000 + Rh Rh273 1.0 0.10938 0.04718 0.50143 1.0000 + Rh Rh274 1.0 0.10938 0.10968 0.50143 1.0000 + Rh Rh275 1.0 0.10938 0.17218 0.50143 1.0000 + Rh Rh276 1.0 0.10938 0.23468 0.50143 1.0000 + Rh Rh277 1.0 0.10938 0.29718 0.50143 1.0000 + Rh Rh278 1.0 0.10938 0.35968 0.50143 1.0000 + Rh Rh279 1.0 0.10938 0.42218 0.50143 1.0000 + Rh Rh280 1.0 0.10938 0.48468 0.50143 1.0000 + Rh Rh281 1.0 0.10938 0.54718 0.50143 1.0000 + Rh Rh282 1.0 0.10938 0.60968 0.50143 1.0000 + Rh Rh283 1.0 0.10938 0.67218 0.50143 1.0000 + Rh Rh284 1.0 0.10938 0.73468 0.50143 1.0000 + Rh Rh285 1.0 0.10938 0.79718 0.50143 1.0000 + Rh Rh286 1.0 0.10938 0.85968 0.50143 1.0000 + Rh Rh287 1.0 0.10938 0.92218 0.50143 1.0000 + Rh Rh288 1.0 0.10938 0.98468 0.50143 1.0000 + Rh Rh289 1.0 0.17188 0.04718 0.50143 1.0000 + Rh Rh290 1.0 0.17188 0.10968 0.50143 1.0000 + Rh Rh291 1.0 0.17188 0.17218 0.50143 1.0000 + Rh Rh292 1.0 0.17188 0.23468 0.50143 1.0000 + Rh Rh293 1.0 0.17188 0.29718 0.50143 1.0000 + Rh Rh294 1.0 0.17188 0.35968 0.50143 1.0000 + Rh Rh295 1.0 0.17188 0.42218 0.50143 1.0000 + Rh Rh296 1.0 0.17188 0.48468 0.50143 1.0000 + Rh Rh297 1.0 0.17188 0.54718 0.50143 1.0000 + Rh Rh298 1.0 0.17188 0.60968 0.50143 1.0000 + Rh Rh299 1.0 0.17188 0.67218 0.50143 1.0000 + Rh Rh300 1.0 0.17188 0.73468 0.50143 1.0000 + Rh Rh301 1.0 0.17188 0.79718 0.50143 1.0000 + Rh Rh302 1.0 0.17188 0.85968 0.50143 1.0000 + Rh Rh303 1.0 0.17188 0.92218 0.50143 1.0000 + Rh Rh304 1.0 0.17188 0.98468 0.50143 1.0000 + Rh Rh305 1.0 0.23438 0.04718 0.50143 1.0000 + Rh Rh306 1.0 0.23438 0.10968 0.50143 1.0000 + Rh Rh307 1.0 0.23438 0.17218 0.50143 1.0000 + Rh Rh308 1.0 0.23438 0.23468 0.50143 1.0000 + Rh Rh309 1.0 0.23438 0.29718 0.50143 1.0000 + Rh Rh310 1.0 0.23438 0.35968 0.50143 1.0000 + Rh Rh311 1.0 0.23438 0.42218 0.50143 1.0000 + Rh Rh312 1.0 0.23438 0.48468 0.50143 1.0000 + Rh Rh313 1.0 0.23438 0.54718 0.50143 1.0000 + Rh Rh314 1.0 0.23438 0.60968 0.50143 1.0000 + Rh Rh315 1.0 0.23438 0.67218 0.50143 1.0000 + Rh Rh316 1.0 0.23438 0.73468 0.50143 1.0000 + Rh Rh317 1.0 0.23438 0.79718 0.50143 1.0000 + Rh Rh318 1.0 0.23438 0.85968 0.50143 1.0000 + Rh Rh319 1.0 0.23438 0.92218 0.50143 1.0000 + Rh Rh320 1.0 0.23438 0.98468 0.50143 1.0000 + Rh Rh321 1.0 0.29688 0.04718 0.50143 1.0000 + Rh Rh322 1.0 0.29688 0.10968 0.50143 1.0000 + Rh Rh323 1.0 0.29688 0.17218 0.50143 1.0000 + Rh Rh324 1.0 0.29688 0.23468 0.50143 1.0000 + Rh Rh325 1.0 0.29688 0.29718 0.50143 1.0000 + Rh Rh326 1.0 0.29688 0.35968 0.50143 1.0000 + Rh Rh327 1.0 0.29688 0.42218 0.50143 1.0000 + Rh Rh328 1.0 0.29688 0.48468 0.50143 1.0000 + Rh Rh329 1.0 0.29688 0.54718 0.50143 1.0000 + Rh Rh330 1.0 0.29688 0.60968 0.50143 1.0000 + Rh Rh331 1.0 0.29688 0.67218 0.50143 1.0000 + Rh Rh332 1.0 0.29688 0.73468 0.50143 1.0000 + Rh Rh333 1.0 0.29688 0.79718 0.50143 1.0000 + Rh Rh334 1.0 0.29688 0.85968 0.50143 1.0000 + Rh Rh335 1.0 0.29688 0.92218 0.50143 1.0000 + Rh Rh336 1.0 0.29688 0.98468 0.50143 1.0000 + Rh Rh337 1.0 0.35938 0.04718 0.50143 1.0000 + Rh Rh338 1.0 0.35938 0.10968 0.50143 1.0000 + Rh Rh339 1.0 0.35938 0.17218 0.50143 1.0000 + Rh Rh340 1.0 0.35938 0.23468 0.50143 1.0000 + Rh Rh341 1.0 0.35938 0.29718 0.50143 1.0000 + Rh Rh342 1.0 0.35938 0.35968 0.50143 1.0000 + Rh Rh343 1.0 0.35938 0.42218 0.50143 1.0000 + Rh Rh344 1.0 0.35938 0.48468 0.50143 1.0000 + Rh Rh345 1.0 0.35938 0.54718 0.50143 1.0000 + Rh Rh346 1.0 0.35938 0.60968 0.50143 1.0000 + Rh Rh347 1.0 0.35938 0.67218 0.50143 1.0000 + Rh Rh348 1.0 0.35938 0.73468 0.50143 1.0000 + Rh Rh349 1.0 0.35938 0.79718 0.50143 1.0000 + Rh Rh350 1.0 0.35938 0.85968 0.50143 1.0000 + Rh Rh351 1.0 0.35938 0.92218 0.50143 1.0000 + Rh Rh352 1.0 0.35938 0.98468 0.50143 1.0000 + Rh Rh353 1.0 0.42188 0.04718 0.50143 1.0000 + Rh Rh354 1.0 0.42188 0.10968 0.50143 1.0000 + Rh Rh355 1.0 0.42188 0.17218 0.50143 1.0000 + Rh Rh356 1.0 0.42188 0.23468 0.50143 1.0000 + Rh Rh357 1.0 0.42188 0.29718 0.50143 1.0000 + Rh Rh358 1.0 0.42188 0.35968 0.50143 1.0000 + Rh Rh359 1.0 0.42188 0.42218 0.50143 1.0000 + Rh Rh360 1.0 0.42188 0.48468 0.50143 1.0000 + Rh Rh361 1.0 0.42188 0.54718 0.50143 1.0000 + Rh Rh362 1.0 0.42188 0.60968 0.50143 1.0000 + Rh Rh363 1.0 0.42188 0.67218 0.50143 1.0000 + Rh Rh364 1.0 0.42188 0.73468 0.50143 1.0000 + Rh Rh365 1.0 0.42188 0.79718 0.50143 1.0000 + Rh Rh366 1.0 0.42188 0.85968 0.50143 1.0000 + Rh Rh367 1.0 0.42188 0.92218 0.50143 1.0000 + Rh Rh368 1.0 0.42188 0.98468 0.50143 1.0000 + Rh Rh369 1.0 0.48438 0.04718 0.50143 1.0000 + Rh Rh370 1.0 0.48438 0.10968 0.50143 1.0000 + Rh Rh371 1.0 0.48438 0.17218 0.50143 1.0000 + Rh Rh372 1.0 0.48438 0.23468 0.50143 1.0000 + Rh Rh373 1.0 0.48438 0.29718 0.50143 1.0000 + Rh Rh374 1.0 0.48438 0.35968 0.50143 1.0000 + Rh Rh375 1.0 0.48438 0.42218 0.50143 1.0000 + Rh Rh376 1.0 0.48438 0.48468 0.50143 1.0000 + Rh Rh377 1.0 0.48438 0.54718 0.50143 1.0000 + Rh Rh378 1.0 0.48438 0.60968 0.50143 1.0000 + Rh Rh379 1.0 0.48438 0.67218 0.50143 1.0000 + Rh Rh380 1.0 0.48438 0.73468 0.50143 1.0000 + Rh Rh381 1.0 0.48438 0.79718 0.50143 1.0000 + Rh Rh382 1.0 0.48438 0.85968 0.50143 1.0000 + Rh Rh383 1.0 0.48438 0.92218 0.50143 1.0000 + Rh Rh384 1.0 0.48438 0.98468 0.50143 1.0000 + Rh Rh385 1.0 0.54688 0.04718 0.50143 1.0000 + Rh Rh386 1.0 0.54688 0.10968 0.50143 1.0000 + Rh Rh387 1.0 0.54688 0.17218 0.50143 1.0000 + Rh Rh388 1.0 0.54688 0.23468 0.50143 1.0000 + Rh Rh389 1.0 0.54688 0.29718 0.50143 1.0000 + Rh Rh390 1.0 0.54688 0.35968 0.50143 1.0000 + Rh Rh391 1.0 0.54688 0.42218 0.50143 1.0000 + Rh Rh392 1.0 0.54688 0.48468 0.50143 1.0000 + Rh Rh393 1.0 0.54688 0.54718 0.50143 1.0000 + Rh Rh394 1.0 0.54688 0.60968 0.50143 1.0000 + Rh Rh395 1.0 0.54688 0.67218 0.50143 1.0000 + Rh Rh396 1.0 0.54688 0.73468 0.50143 1.0000 + Rh Rh397 1.0 0.54688 0.79718 0.50143 1.0000 + Rh Rh398 1.0 0.54688 0.85968 0.50143 1.0000 + Rh Rh399 1.0 0.54688 0.92218 0.50143 1.0000 + Rh Rh400 1.0 0.54688 0.98468 0.50143 1.0000 + Rh Rh401 1.0 0.60938 0.04718 0.50143 1.0000 + Rh Rh402 1.0 0.60938 0.10968 0.50143 1.0000 + Rh Rh403 1.0 0.60938 0.17218 0.50143 1.0000 + Rh Rh404 1.0 0.60938 0.23468 0.50143 1.0000 + Rh Rh405 1.0 0.60938 0.29718 0.50143 1.0000 + Rh Rh406 1.0 0.60938 0.35968 0.50143 1.0000 + Rh Rh407 1.0 0.60938 0.42218 0.50143 1.0000 + Rh Rh408 1.0 0.60938 0.48468 0.50143 1.0000 + Rh Rh409 1.0 0.60938 0.54718 0.50143 1.0000 + Rh Rh410 1.0 0.60938 0.60968 0.50143 1.0000 + Rh Rh411 1.0 0.60938 0.67218 0.50143 1.0000 + Rh Rh412 1.0 0.60938 0.73468 0.50143 1.0000 + Rh Rh413 1.0 0.60938 0.79718 0.50143 1.0000 + Rh Rh414 1.0 0.60938 0.85968 0.50143 1.0000 + Rh Rh415 1.0 0.60938 0.92218 0.50143 1.0000 + Rh Rh416 1.0 0.60938 0.98468 0.50143 1.0000 + Rh Rh417 1.0 0.67188 0.04718 0.50143 1.0000 + Rh Rh418 1.0 0.67188 0.10968 0.50143 1.0000 + Rh Rh419 1.0 0.67188 0.17218 0.50143 1.0000 + Rh Rh420 1.0 0.67188 0.23468 0.50143 1.0000 + Rh Rh421 1.0 0.67188 0.29718 0.50143 1.0000 + Rh Rh422 1.0 0.67188 0.35968 0.50143 1.0000 + Rh Rh423 1.0 0.67188 0.42218 0.50143 1.0000 + Rh Rh424 1.0 0.67188 0.48468 0.50143 1.0000 + Rh Rh425 1.0 0.67188 0.54718 0.50143 1.0000 + Rh Rh426 1.0 0.67188 0.60968 0.50143 1.0000 + Rh Rh427 1.0 0.67188 0.67218 0.50143 1.0000 + Rh Rh428 1.0 0.67188 0.73468 0.50143 1.0000 + Rh Rh429 1.0 0.67188 0.79718 0.50143 1.0000 + Rh Rh430 1.0 0.67188 0.85968 0.50143 1.0000 + Rh Rh431 1.0 0.67188 0.92218 0.50143 1.0000 + Rh Rh432 1.0 0.67188 0.98468 0.50143 1.0000 + Rh Rh433 1.0 0.73438 0.04718 0.50143 1.0000 + Rh Rh434 1.0 0.73438 0.10968 0.50143 1.0000 + Rh Rh435 1.0 0.73438 0.17218 0.50143 1.0000 + Rh Rh436 1.0 0.73438 0.23468 0.50143 1.0000 + Rh Rh437 1.0 0.73438 0.29718 0.50143 1.0000 + Rh Rh438 1.0 0.73438 0.35968 0.50143 1.0000 + Rh Rh439 1.0 0.73438 0.42218 0.50143 1.0000 + Rh Rh440 1.0 0.73438 0.48468 0.50143 1.0000 + Rh Rh441 1.0 0.73438 0.54718 0.50143 1.0000 + Rh Rh442 1.0 0.73438 0.60968 0.50143 1.0000 + Rh Rh443 1.0 0.73438 0.67218 0.50143 1.0000 + Rh Rh444 1.0 0.73438 0.73468 0.50143 1.0000 + Rh Rh445 1.0 0.73438 0.79718 0.50143 1.0000 + Rh Rh446 1.0 0.73438 0.85968 0.50143 1.0000 + Rh Rh447 1.0 0.73438 0.92218 0.50143 1.0000 + Rh Rh448 1.0 0.73438 0.98468 0.50143 1.0000 + Rh Rh449 1.0 0.79688 0.04718 0.50143 1.0000 + Rh Rh450 1.0 0.79688 0.10968 0.50143 1.0000 + Rh Rh451 1.0 0.79688 0.17218 0.50143 1.0000 + Rh Rh452 1.0 0.79688 0.23468 0.50143 1.0000 + Rh Rh453 1.0 0.79688 0.29718 0.50143 1.0000 + Rh Rh454 1.0 0.79688 0.35968 0.50143 1.0000 + Rh Rh455 1.0 0.79688 0.42218 0.50143 1.0000 + Rh Rh456 1.0 0.79688 0.48468 0.50143 1.0000 + Rh Rh457 1.0 0.79688 0.54718 0.50143 1.0000 + Rh Rh458 1.0 0.79688 0.60968 0.50143 1.0000 + Rh Rh459 1.0 0.79688 0.67218 0.50143 1.0000 + Rh Rh460 1.0 0.79688 0.73468 0.50143 1.0000 + Rh Rh461 1.0 0.79688 0.79718 0.50143 1.0000 + Rh Rh462 1.0 0.79688 0.85968 0.50143 1.0000 + Rh Rh463 1.0 0.79688 0.92218 0.50143 1.0000 + Rh Rh464 1.0 0.79688 0.98468 0.50143 1.0000 + Rh Rh465 1.0 0.85938 0.04718 0.50143 1.0000 + Rh Rh466 1.0 0.85938 0.10968 0.50143 1.0000 + Rh Rh467 1.0 0.85938 0.17218 0.50143 1.0000 + Rh Rh468 1.0 0.85938 0.23468 0.50143 1.0000 + Rh Rh469 1.0 0.85938 0.29718 0.50143 1.0000 + Rh Rh470 1.0 0.85938 0.35968 0.50143 1.0000 + Rh Rh471 1.0 0.85938 0.42218 0.50143 1.0000 + Rh Rh472 1.0 0.85938 0.48468 0.50143 1.0000 + Rh Rh473 1.0 0.85938 0.54718 0.50143 1.0000 + Rh Rh474 1.0 0.85938 0.60968 0.50143 1.0000 + Rh Rh475 1.0 0.85938 0.67218 0.50143 1.0000 + Rh Rh476 1.0 0.85938 0.73468 0.50143 1.0000 + Rh Rh477 1.0 0.85938 0.79718 0.50143 1.0000 + Rh Rh478 1.0 0.85938 0.85968 0.50143 1.0000 + Rh Rh479 1.0 0.85938 0.92218 0.50143 1.0000 + Rh Rh480 1.0 0.85938 0.98468 0.50143 1.0000 + Rh Rh481 1.0 0.92188 0.04718 0.50143 1.0000 + Rh Rh482 1.0 0.92188 0.10968 0.50143 1.0000 + Rh Rh483 1.0 0.92188 0.17218 0.50143 1.0000 + Rh Rh484 1.0 0.92188 0.23468 0.50143 1.0000 + Rh Rh485 1.0 0.92188 0.29718 0.50143 1.0000 + Rh Rh486 1.0 0.92188 0.35968 0.50143 1.0000 + Rh Rh487 1.0 0.92188 0.42218 0.50143 1.0000 + Rh Rh488 1.0 0.92188 0.48468 0.50143 1.0000 + Rh Rh489 1.0 0.92188 0.54718 0.50143 1.0000 + Rh Rh490 1.0 0.92188 0.60968 0.50143 1.0000 + Rh Rh491 1.0 0.92188 0.67218 0.50143 1.0000 + Rh Rh492 1.0 0.92188 0.73468 0.50143 1.0000 + Rh Rh493 1.0 0.92188 0.79718 0.50143 1.0000 + Rh Rh494 1.0 0.92188 0.85968 0.50143 1.0000 + Rh Rh495 1.0 0.92188 0.92218 0.50143 1.0000 + Rh Rh496 1.0 0.92188 0.98468 0.50143 1.0000 + Rh Rh497 1.0 0.98438 0.04718 0.50143 1.0000 + Rh Rh498 1.0 0.98438 0.10968 0.50143 1.0000 + Rh Rh499 1.0 0.98438 0.17218 0.50143 1.0000 + Rh Rh500 1.0 0.98438 0.23468 0.50143 1.0000 + Rh Rh501 1.0 0.98438 0.29718 0.50143 1.0000 + Rh Rh502 1.0 0.98438 0.35968 0.50143 1.0000 + Rh Rh503 1.0 0.98438 0.42218 0.50143 1.0000 + Rh Rh504 1.0 0.98438 0.48468 0.50143 1.0000 + Rh Rh505 1.0 0.98438 0.54718 0.50143 1.0000 + Rh Rh506 1.0 0.98438 0.60968 0.50143 1.0000 + Rh Rh507 1.0 0.98438 0.67218 0.50143 1.0000 + Rh Rh508 1.0 0.98438 0.73468 0.50143 1.0000 + Rh Rh509 1.0 0.98438 0.79718 0.50143 1.0000 + Rh Rh510 1.0 0.98438 0.85968 0.50143 1.0000 + Rh Rh511 1.0 0.98438 0.92218 0.50143 1.0000 + Rh Rh512 1.0 0.98438 0.98468 0.50143 1.0000 + Cl Cl1 1.0 0.01562 0.05785 0.29533 1.0000 + Cl Cl2 1.0 0.01562 0.12035 0.29533 1.0000 + Cl Cl3 1.0 0.01562 0.18285 0.29533 1.0000 + Cl Cl4 1.0 0.01562 0.24535 0.29533 1.0000 + Cl Cl5 1.0 0.01562 0.30785 0.29533 1.0000 + Cl Cl6 1.0 0.01562 0.37035 0.29533 1.0000 + Cl Cl7 1.0 0.01562 0.43285 0.29533 1.0000 + Cl Cl8 1.0 0.01562 0.49535 0.29533 1.0000 + Cl Cl9 1.0 0.01562 0.55785 0.29533 1.0000 + Cl Cl10 1.0 0.01562 0.62035 0.29533 1.0000 + Cl Cl11 1.0 0.01562 0.68285 0.29533 1.0000 + Cl Cl12 1.0 0.01562 0.74535 0.29533 1.0000 + Cl Cl13 1.0 0.01562 0.80785 0.29533 1.0000 + Cl Cl14 1.0 0.01562 0.87035 0.29533 1.0000 + Cl Cl15 1.0 0.01562 0.93285 0.29533 1.0000 + Cl Cl16 1.0 0.01562 0.99535 0.29533 1.0000 + Cl Cl17 1.0 0.07813 0.05785 0.29533 1.0000 + Cl Cl18 1.0 0.07813 0.12035 0.29533 1.0000 + Cl Cl19 1.0 0.07813 0.18285 0.29533 1.0000 + Cl Cl20 1.0 0.07813 0.24535 0.29533 1.0000 + Cl Cl21 1.0 0.07813 0.30785 0.29533 1.0000 + Cl Cl22 1.0 0.07813 0.37035 0.29533 1.0000 + Cl Cl23 1.0 0.07813 0.43285 0.29533 1.0000 + Cl Cl24 1.0 0.07813 0.49535 0.29533 1.0000 + Cl Cl25 1.0 0.07813 0.55785 0.29533 1.0000 + Cl Cl26 1.0 0.07813 0.62035 0.29533 1.0000 + Cl Cl27 1.0 0.07813 0.68285 0.29533 1.0000 + Cl Cl28 1.0 0.07813 0.74535 0.29533 1.0000 + Cl Cl29 1.0 0.07813 0.80785 0.29533 1.0000 + Cl Cl30 1.0 0.07813 0.87035 0.29533 1.0000 + Cl Cl31 1.0 0.07813 0.93285 0.29533 1.0000 + Cl Cl32 1.0 0.07813 0.99535 0.29533 1.0000 + Cl Cl33 1.0 0.14062 0.05785 0.29533 1.0000 + Cl Cl34 1.0 0.14062 0.12035 0.29533 1.0000 + Cl Cl35 1.0 0.14062 0.18285 0.29533 1.0000 + Cl Cl36 1.0 0.14062 0.24535 0.29533 1.0000 + Cl Cl37 1.0 0.14062 0.30785 0.29533 1.0000 + Cl Cl38 1.0 0.14062 0.37035 0.29533 1.0000 + Cl Cl39 1.0 0.14062 0.43285 0.29533 1.0000 + Cl Cl40 1.0 0.14062 0.49535 0.29533 1.0000 + Cl Cl41 1.0 0.14062 0.55785 0.29533 1.0000 + Cl Cl42 1.0 0.14062 0.62035 0.29533 1.0000 + Cl Cl43 1.0 0.14062 0.68285 0.29533 1.0000 + Cl Cl44 1.0 0.14062 0.74535 0.29533 1.0000 + Cl Cl45 1.0 0.14062 0.80785 0.29533 1.0000 + Cl Cl46 1.0 0.14062 0.87035 0.29533 1.0000 + Cl Cl47 1.0 0.14062 0.93285 0.29533 1.0000 + Cl Cl48 1.0 0.14062 0.99535 0.29533 1.0000 + Cl Cl49 1.0 0.20312 0.05785 0.29533 1.0000 + Cl Cl50 1.0 0.20312 0.12035 0.29533 1.0000 + Cl Cl51 1.0 0.20312 0.18285 0.29533 1.0000 + Cl Cl52 1.0 0.20312 0.24535 0.29533 1.0000 + Cl Cl53 1.0 0.20312 0.30785 0.29533 1.0000 + Cl Cl54 1.0 0.20312 0.37035 0.29533 1.0000 + Cl Cl55 1.0 0.20312 0.43285 0.29533 1.0000 + Cl Cl56 1.0 0.20312 0.49535 0.29533 1.0000 + Cl Cl57 1.0 0.20312 0.55785 0.29533 1.0000 + Cl Cl58 1.0 0.20312 0.62035 0.29533 1.0000 + Cl Cl59 1.0 0.20312 0.68285 0.29533 1.0000 + Cl Cl60 1.0 0.20312 0.74535 0.29533 1.0000 + Cl Cl61 1.0 0.20312 0.80785 0.29533 1.0000 + Cl Cl62 1.0 0.20312 0.87035 0.29533 1.0000 + Cl Cl63 1.0 0.20312 0.93285 0.29533 1.0000 + Cl Cl64 1.0 0.20312 0.99535 0.29533 1.0000 + Cl Cl65 1.0 0.26563 0.05785 0.29533 1.0000 + Cl Cl66 1.0 0.26563 0.12035 0.29533 1.0000 + Cl Cl67 1.0 0.26563 0.18285 0.29533 1.0000 + Cl Cl68 1.0 0.26563 0.24535 0.29533 1.0000 + Cl Cl69 1.0 0.26563 0.30785 0.29533 1.0000 + Cl Cl70 1.0 0.26563 0.37035 0.29533 1.0000 + Cl Cl71 1.0 0.26563 0.43285 0.29533 1.0000 + Cl Cl72 1.0 0.26563 0.49535 0.29533 1.0000 + Cl Cl73 1.0 0.26563 0.55785 0.29533 1.0000 + Cl Cl74 1.0 0.26563 0.62035 0.29533 1.0000 + Cl Cl75 1.0 0.26563 0.68285 0.29533 1.0000 + Cl Cl76 1.0 0.26563 0.74535 0.29533 1.0000 + Cl Cl77 1.0 0.26563 0.80785 0.29533 1.0000 + Cl Cl78 1.0 0.26563 0.87035 0.29533 1.0000 + Cl Cl79 1.0 0.26563 0.93285 0.29533 1.0000 + Cl Cl80 1.0 0.26563 0.99535 0.29533 1.0000 + Cl Cl81 1.0 0.32813 0.05785 0.29533 1.0000 + Cl Cl82 1.0 0.32813 0.12035 0.29533 1.0000 + Cl Cl83 1.0 0.32813 0.18285 0.29533 1.0000 + Cl Cl84 1.0 0.32813 0.24535 0.29533 1.0000 + Cl Cl85 1.0 0.32813 0.30785 0.29533 1.0000 + Cl Cl86 1.0 0.32813 0.37035 0.29533 1.0000 + Cl Cl87 1.0 0.32813 0.43285 0.29533 1.0000 + Cl Cl88 1.0 0.32813 0.49535 0.29533 1.0000 + Cl Cl89 1.0 0.32813 0.55785 0.29533 1.0000 + Cl Cl90 1.0 0.32813 0.62035 0.29533 1.0000 + Cl Cl91 1.0 0.32813 0.68285 0.29533 1.0000 + Cl Cl92 1.0 0.32813 0.74535 0.29533 1.0000 + Cl Cl93 1.0 0.32813 0.80785 0.29533 1.0000 + Cl Cl94 1.0 0.32813 0.87035 0.29533 1.0000 + Cl Cl95 1.0 0.32813 0.93285 0.29533 1.0000 + Cl Cl96 1.0 0.32813 0.99535 0.29533 1.0000 + Cl Cl97 1.0 0.39063 0.05785 0.29533 1.0000 + Cl Cl98 1.0 0.39063 0.12035 0.29533 1.0000 + Cl Cl99 1.0 0.39063 0.18285 0.29533 1.0000 + Cl Cl100 1.0 0.39063 0.24535 0.29533 1.0000 + Cl Cl101 1.0 0.39063 0.30785 0.29533 1.0000 + Cl Cl102 1.0 0.39063 0.37035 0.29533 1.0000 + Cl Cl103 1.0 0.39063 0.43285 0.29533 1.0000 + Cl Cl104 1.0 0.39063 0.49535 0.29533 1.0000 + Cl Cl105 1.0 0.39063 0.55785 0.29533 1.0000 + Cl Cl106 1.0 0.39063 0.62035 0.29533 1.0000 + Cl Cl107 1.0 0.39063 0.68285 0.29533 1.0000 + Cl Cl108 1.0 0.39063 0.74535 0.29533 1.0000 + Cl Cl109 1.0 0.39063 0.80785 0.29533 1.0000 + Cl Cl110 1.0 0.39063 0.87035 0.29533 1.0000 + Cl Cl111 1.0 0.39063 0.93285 0.29533 1.0000 + Cl Cl112 1.0 0.39063 0.99535 0.29533 1.0000 + Cl Cl113 1.0 0.45313 0.05785 0.29533 1.0000 + Cl Cl114 1.0 0.45313 0.12035 0.29533 1.0000 + Cl Cl115 1.0 0.45313 0.18285 0.29533 1.0000 + Cl Cl116 1.0 0.45313 0.24535 0.29533 1.0000 + Cl Cl117 1.0 0.45313 0.30785 0.29533 1.0000 + Cl Cl118 1.0 0.45313 0.37035 0.29533 1.0000 + Cl Cl119 1.0 0.45313 0.43285 0.29533 1.0000 + Cl Cl120 1.0 0.45313 0.49535 0.29533 1.0000 + Cl Cl121 1.0 0.45313 0.55785 0.29533 1.0000 + Cl Cl122 1.0 0.45313 0.62035 0.29533 1.0000 + Cl Cl123 1.0 0.45313 0.68285 0.29533 1.0000 + Cl Cl124 1.0 0.45313 0.74535 0.29533 1.0000 + Cl Cl125 1.0 0.45313 0.80785 0.29533 1.0000 + Cl Cl126 1.0 0.45313 0.87035 0.29533 1.0000 + Cl Cl127 1.0 0.45313 0.93285 0.29533 1.0000 + Cl Cl128 1.0 0.45313 0.99535 0.29533 1.0000 + Cl Cl129 1.0 0.51562 0.05785 0.29533 1.0000 + Cl Cl130 1.0 0.51562 0.12035 0.29533 1.0000 + Cl Cl131 1.0 0.51562 0.18285 0.29533 1.0000 + Cl Cl132 1.0 0.51562 0.24535 0.29533 1.0000 + Cl Cl133 1.0 0.51562 0.30785 0.29533 1.0000 + Cl Cl134 1.0 0.51562 0.37035 0.29533 1.0000 + Cl Cl135 1.0 0.51562 0.43285 0.29533 1.0000 + Cl Cl136 1.0 0.51562 0.49535 0.29533 1.0000 + Cl Cl137 1.0 0.51562 0.55785 0.29533 1.0000 + Cl Cl138 1.0 0.51562 0.62035 0.29533 1.0000 + Cl Cl139 1.0 0.51562 0.68285 0.29533 1.0000 + Cl Cl140 1.0 0.51562 0.74535 0.29533 1.0000 + Cl Cl141 1.0 0.51562 0.80785 0.29533 1.0000 + Cl Cl142 1.0 0.51562 0.87035 0.29533 1.0000 + Cl Cl143 1.0 0.51562 0.93285 0.29533 1.0000 + Cl Cl144 1.0 0.51562 0.99535 0.29533 1.0000 + Cl Cl145 1.0 0.57813 0.05785 0.29533 1.0000 + Cl Cl146 1.0 0.57813 0.12035 0.29533 1.0000 + Cl Cl147 1.0 0.57813 0.18285 0.29533 1.0000 + Cl Cl148 1.0 0.57813 0.24535 0.29533 1.0000 + Cl Cl149 1.0 0.57813 0.30785 0.29533 1.0000 + Cl Cl150 1.0 0.57813 0.37035 0.29533 1.0000 + Cl Cl151 1.0 0.57813 0.43285 0.29533 1.0000 + Cl Cl152 1.0 0.57813 0.49535 0.29533 1.0000 + Cl Cl153 1.0 0.57813 0.55785 0.29533 1.0000 + Cl Cl154 1.0 0.57813 0.62035 0.29533 1.0000 + Cl Cl155 1.0 0.57813 0.68285 0.29533 1.0000 + Cl Cl156 1.0 0.57813 0.74535 0.29533 1.0000 + Cl Cl157 1.0 0.57813 0.80785 0.29533 1.0000 + Cl Cl158 1.0 0.57813 0.87035 0.29533 1.0000 + Cl Cl159 1.0 0.57813 0.93285 0.29533 1.0000 + Cl Cl160 1.0 0.57813 0.99535 0.29533 1.0000 + Cl Cl161 1.0 0.64062 0.05785 0.29533 1.0000 + Cl Cl162 1.0 0.64062 0.12035 0.29533 1.0000 + Cl Cl163 1.0 0.64062 0.18285 0.29533 1.0000 + Cl Cl164 1.0 0.64062 0.24535 0.29533 1.0000 + Cl Cl165 1.0 0.64062 0.30785 0.29533 1.0000 + Cl Cl166 1.0 0.64062 0.37035 0.29533 1.0000 + Cl Cl167 1.0 0.64062 0.43285 0.29533 1.0000 + Cl Cl168 1.0 0.64062 0.49535 0.29533 1.0000 + Cl Cl169 1.0 0.64062 0.55785 0.29533 1.0000 + Cl Cl170 1.0 0.64062 0.62035 0.29533 1.0000 + Cl Cl171 1.0 0.64062 0.68285 0.29533 1.0000 + Cl Cl172 1.0 0.64062 0.74535 0.29533 1.0000 + Cl Cl173 1.0 0.64062 0.80785 0.29533 1.0000 + Cl Cl174 1.0 0.64062 0.87035 0.29533 1.0000 + Cl Cl175 1.0 0.64062 0.93285 0.29533 1.0000 + Cl Cl176 1.0 0.64062 0.99535 0.29533 1.0000 + Cl Cl177 1.0 0.70313 0.05785 0.29533 1.0000 + Cl Cl178 1.0 0.70313 0.12035 0.29533 1.0000 + Cl Cl179 1.0 0.70313 0.18285 0.29533 1.0000 + Cl Cl180 1.0 0.70313 0.24535 0.29533 1.0000 + Cl Cl181 1.0 0.70313 0.30785 0.29533 1.0000 + Cl Cl182 1.0 0.70313 0.37035 0.29533 1.0000 + Cl Cl183 1.0 0.70313 0.43285 0.29533 1.0000 + Cl Cl184 1.0 0.70313 0.49535 0.29533 1.0000 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0.89063 0.24535 0.29533 1.0000 + Cl Cl229 1.0 0.89063 0.30785 0.29533 1.0000 + Cl Cl230 1.0 0.89063 0.37035 0.29533 1.0000 + Cl Cl231 1.0 0.89063 0.43285 0.29533 1.0000 + Cl Cl232 1.0 0.89063 0.49535 0.29533 1.0000 + Cl Cl233 1.0 0.89063 0.55785 0.29533 1.0000 + Cl Cl234 1.0 0.89063 0.62035 0.29533 1.0000 + Cl Cl235 1.0 0.89063 0.68285 0.29533 1.0000 + Cl Cl236 1.0 0.89063 0.74535 0.29533 1.0000 + Cl Cl237 1.0 0.89063 0.80785 0.29533 1.0000 + Cl Cl238 1.0 0.89063 0.87035 0.29533 1.0000 + Cl Cl239 1.0 0.89063 0.93285 0.29533 1.0000 + Cl Cl240 1.0 0.89063 0.99535 0.29533 1.0000 + Cl Cl241 1.0 0.95313 0.05785 0.29533 1.0000 + Cl Cl242 1.0 0.95313 0.12035 0.29533 1.0000 + Cl Cl243 1.0 0.95313 0.18285 0.29533 1.0000 + Cl Cl244 1.0 0.95313 0.24535 0.29533 1.0000 + Cl Cl245 1.0 0.95313 0.30785 0.29533 1.0000 + Cl Cl246 1.0 0.95313 0.37035 0.29533 1.0000 + Cl Cl247 1.0 0.95313 0.43285 0.29533 1.0000 + Cl Cl248 1.0 0.95313 0.49535 0.29533 1.0000 + Cl Cl249 1.0 0.95313 0.55785 0.29533 1.0000 + Cl Cl250 1.0 0.95313 0.62035 0.29533 1.0000 + Cl Cl251 1.0 0.95313 0.68285 0.29533 1.0000 + Cl Cl252 1.0 0.95313 0.74535 0.29533 1.0000 + Cl Cl253 1.0 0.95313 0.80785 0.29533 1.0000 + Cl Cl254 1.0 0.95313 0.87035 0.29533 1.0000 + Cl Cl255 1.0 0.95313 0.93285 0.29533 1.0000 + Cl Cl256 1.0 0.95313 0.99535 0.29533 1.0000 + Cl Cl257 1.0 0.04688 0.00465 0.70467 1.0000 + Cl Cl258 1.0 0.04688 0.06715 0.70467 1.0000 + Cl Cl259 1.0 0.04688 0.12965 0.70467 1.0000 + Cl Cl260 1.0 0.04688 0.19215 0.70467 1.0000 + Cl Cl261 1.0 0.04688 0.25465 0.70467 1.0000 + Cl Cl262 1.0 0.04688 0.31715 0.70467 1.0000 + Cl Cl263 1.0 0.04688 0.37965 0.70467 1.0000 + Cl Cl264 1.0 0.04688 0.44215 0.70467 1.0000 + Cl Cl265 1.0 0.04688 0.50465 0.70467 1.0000 + Cl Cl266 1.0 0.04688 0.56715 0.70467 1.0000 + Cl Cl267 1.0 0.04688 0.62965 0.70467 1.0000 + Cl Cl268 1.0 0.04688 0.69215 0.70467 1.0000 + Cl Cl269 1.0 0.04688 0.75465 0.70467 1.0000 + Cl Cl270 1.0 0.04688 0.81715 0.70467 1.0000 + Cl Cl271 1.0 0.04688 0.87965 0.70467 1.0000 + Cl Cl272 1.0 0.04688 0.94215 0.70467 1.0000 + Cl Cl273 1.0 0.10938 0.00465 0.70467 1.0000 + Cl Cl274 1.0 0.10938 0.06715 0.70467 1.0000 + Cl Cl275 1.0 0.10938 0.12965 0.70467 1.0000 + Cl Cl276 1.0 0.10938 0.19215 0.70467 1.0000 + Cl Cl277 1.0 0.10938 0.25465 0.70467 1.0000 + Cl Cl278 1.0 0.10938 0.31715 0.70467 1.0000 + Cl Cl279 1.0 0.10938 0.37965 0.70467 1.0000 + Cl Cl280 1.0 0.10938 0.44215 0.70467 1.0000 + Cl Cl281 1.0 0.10938 0.50465 0.70467 1.0000 + Cl Cl282 1.0 0.10938 0.56715 0.70467 1.0000 + Cl Cl283 1.0 0.10938 0.62965 0.70467 1.0000 + Cl Cl284 1.0 0.10938 0.69215 0.70467 1.0000 + Cl Cl285 1.0 0.10938 0.75465 0.70467 1.0000 + Cl Cl286 1.0 0.10938 0.81715 0.70467 1.0000 + Cl Cl287 1.0 0.10938 0.87965 0.70467 1.0000 + Cl Cl288 1.0 0.10938 0.94215 0.70467 1.0000 + Cl Cl289 1.0 0.17188 0.00465 0.70467 1.0000 + Cl Cl290 1.0 0.17188 0.06715 0.70467 1.0000 + Cl Cl291 1.0 0.17188 0.12965 0.70467 1.0000 + Cl Cl292 1.0 0.17188 0.19215 0.70467 1.0000 + Cl Cl293 1.0 0.17188 0.25465 0.70467 1.0000 + Cl Cl294 1.0 0.17188 0.31715 0.70467 1.0000 + Cl Cl295 1.0 0.17188 0.37965 0.70467 1.0000 + Cl Cl296 1.0 0.17188 0.44215 0.70467 1.0000 + Cl Cl297 1.0 0.17188 0.50465 0.70467 1.0000 + Cl Cl298 1.0 0.17188 0.56715 0.70467 1.0000 + Cl Cl299 1.0 0.17188 0.62965 0.70467 1.0000 + Cl Cl300 1.0 0.17188 0.69215 0.70467 1.0000 + Cl Cl301 1.0 0.17188 0.75465 0.70467 1.0000 + Cl Cl302 1.0 0.17188 0.81715 0.70467 1.0000 + Cl Cl303 1.0 0.17188 0.87965 0.70467 1.0000 + Cl Cl304 1.0 0.17188 0.94215 0.70467 1.0000 + Cl Cl305 1.0 0.23438 0.00465 0.70467 1.0000 + Cl Cl306 1.0 0.23438 0.06715 0.70467 1.0000 + Cl Cl307 1.0 0.23438 0.12965 0.70467 1.0000 + Cl Cl308 1.0 0.23438 0.19215 0.70467 1.0000 + Cl Cl309 1.0 0.23438 0.25465 0.70467 1.0000 + Cl Cl310 1.0 0.23438 0.31715 0.70467 1.0000 + Cl Cl311 1.0 0.23438 0.37965 0.70467 1.0000 + Cl Cl312 1.0 0.23438 0.44215 0.70467 1.0000 + Cl Cl313 1.0 0.23438 0.50465 0.70467 1.0000 + Cl Cl314 1.0 0.23438 0.56715 0.70467 1.0000 + Cl Cl315 1.0 0.23438 0.62965 0.70467 1.0000 + Cl Cl316 1.0 0.23438 0.69215 0.70467 1.0000 + Cl Cl317 1.0 0.23438 0.75465 0.70467 1.0000 + Cl Cl318 1.0 0.23438 0.81715 0.70467 1.0000 + Cl Cl319 1.0 0.23438 0.87965 0.70467 1.0000 + Cl Cl320 1.0 0.23438 0.94215 0.70467 1.0000 + Cl Cl321 1.0 0.29688 0.00465 0.70467 1.0000 + Cl Cl322 1.0 0.29688 0.06715 0.70467 1.0000 + Cl Cl323 1.0 0.29688 0.12965 0.70467 1.0000 + Cl Cl324 1.0 0.29688 0.19215 0.70467 1.0000 + Cl Cl325 1.0 0.29688 0.25465 0.70467 1.0000 + Cl Cl326 1.0 0.29688 0.31715 0.70467 1.0000 + Cl Cl327 1.0 0.29688 0.37965 0.70467 1.0000 + Cl Cl328 1.0 0.29688 0.44215 0.70467 1.0000 + Cl Cl329 1.0 0.29688 0.50465 0.70467 1.0000 + Cl Cl330 1.0 0.29688 0.56715 0.70467 1.0000 + Cl Cl331 1.0 0.29688 0.62965 0.70467 1.0000 + Cl Cl332 1.0 0.29688 0.69215 0.70467 1.0000 + Cl Cl333 1.0 0.29688 0.75465 0.70467 1.0000 + Cl Cl334 1.0 0.29688 0.81715 0.70467 1.0000 + Cl Cl335 1.0 0.29688 0.87965 0.70467 1.0000 + Cl Cl336 1.0 0.29688 0.94215 0.70467 1.0000 + Cl Cl337 1.0 0.35938 0.00465 0.70467 1.0000 + Cl Cl338 1.0 0.35938 0.06715 0.70467 1.0000 + Cl Cl339 1.0 0.35938 0.12965 0.70467 1.0000 + Cl Cl340 1.0 0.35938 0.19215 0.70467 1.0000 + Cl Cl341 1.0 0.35938 0.25465 0.70467 1.0000 + Cl Cl342 1.0 0.35938 0.31715 0.70467 1.0000 + Cl Cl343 1.0 0.35938 0.37965 0.70467 1.0000 + Cl Cl344 1.0 0.35938 0.44215 0.70467 1.0000 + Cl Cl345 1.0 0.35938 0.50465 0.70467 1.0000 + Cl Cl346 1.0 0.35938 0.56715 0.70467 1.0000 + Cl Cl347 1.0 0.35938 0.62965 0.70467 1.0000 + Cl Cl348 1.0 0.35938 0.69215 0.70467 1.0000 + Cl Cl349 1.0 0.35938 0.75465 0.70467 1.0000 + Cl Cl350 1.0 0.35938 0.81715 0.70467 1.0000 + Cl Cl351 1.0 0.35938 0.87965 0.70467 1.0000 + Cl Cl352 1.0 0.35938 0.94215 0.70467 1.0000 + Cl Cl353 1.0 0.42188 0.00465 0.70467 1.0000 + Cl Cl354 1.0 0.42188 0.06715 0.70467 1.0000 + Cl Cl355 1.0 0.42188 0.12965 0.70467 1.0000 + Cl Cl356 1.0 0.42188 0.19215 0.70467 1.0000 + Cl Cl357 1.0 0.42188 0.25465 0.70467 1.0000 + Cl Cl358 1.0 0.42188 0.31715 0.70467 1.0000 + Cl Cl359 1.0 0.42188 0.37965 0.70467 1.0000 + Cl Cl360 1.0 0.42188 0.44215 0.70467 1.0000 + Cl Cl361 1.0 0.42188 0.50465 0.70467 1.0000 + Cl Cl362 1.0 0.42188 0.56715 0.70467 1.0000 + Cl Cl363 1.0 0.42188 0.62965 0.70467 1.0000 + Cl Cl364 1.0 0.42188 0.69215 0.70467 1.0000 + Cl Cl365 1.0 0.42188 0.75465 0.70467 1.0000 + Cl Cl366 1.0 0.42188 0.81715 0.70467 1.0000 + Cl Cl367 1.0 0.42188 0.87965 0.70467 1.0000 + Cl Cl368 1.0 0.42188 0.94215 0.70467 1.0000 + Cl Cl369 1.0 0.48438 0.00465 0.70467 1.0000 + Cl Cl370 1.0 0.48438 0.06715 0.70467 1.0000 + Cl Cl371 1.0 0.48438 0.12965 0.70467 1.0000 + Cl Cl372 1.0 0.48438 0.19215 0.70467 1.0000 + Cl Cl373 1.0 0.48438 0.25465 0.70467 1.0000 + Cl Cl374 1.0 0.48438 0.31715 0.70467 1.0000 + Cl Cl375 1.0 0.48438 0.37965 0.70467 1.0000 + Cl Cl376 1.0 0.48438 0.44215 0.70467 1.0000 + Cl Cl377 1.0 0.48438 0.50465 0.70467 1.0000 + Cl Cl378 1.0 0.48438 0.56715 0.70467 1.0000 + Cl Cl379 1.0 0.48438 0.62965 0.70467 1.0000 + Cl Cl380 1.0 0.48438 0.69215 0.70467 1.0000 + Cl Cl381 1.0 0.48438 0.75465 0.70467 1.0000 + Cl Cl382 1.0 0.48438 0.81715 0.70467 1.0000 + Cl Cl383 1.0 0.48438 0.87965 0.70467 1.0000 + Cl Cl384 1.0 0.48438 0.94215 0.70467 1.0000 + Cl Cl385 1.0 0.54688 0.00465 0.70467 1.0000 + Cl Cl386 1.0 0.54688 0.06715 0.70467 1.0000 + Cl Cl387 1.0 0.54688 0.12965 0.70467 1.0000 + Cl Cl388 1.0 0.54688 0.19215 0.70467 1.0000 + Cl Cl389 1.0 0.54688 0.25465 0.70467 1.0000 + Cl Cl390 1.0 0.54688 0.31715 0.70467 1.0000 + Cl Cl391 1.0 0.54688 0.37965 0.70467 1.0000 + Cl Cl392 1.0 0.54688 0.44215 0.70467 1.0000 + Cl Cl393 1.0 0.54688 0.50465 0.70467 1.0000 + Cl Cl394 1.0 0.54688 0.56715 0.70467 1.0000 + Cl Cl395 1.0 0.54688 0.62965 0.70467 1.0000 + Cl Cl396 1.0 0.54688 0.69215 0.70467 1.0000 + Cl Cl397 1.0 0.54688 0.75465 0.70467 1.0000 + Cl Cl398 1.0 0.54688 0.81715 0.70467 1.0000 + Cl Cl399 1.0 0.54688 0.87965 0.70467 1.0000 + Cl Cl400 1.0 0.54688 0.94215 0.70467 1.0000 + Cl Cl401 1.0 0.60938 0.00465 0.70467 1.0000 + Cl Cl402 1.0 0.60938 0.06715 0.70467 1.0000 + Cl Cl403 1.0 0.60938 0.12965 0.70467 1.0000 + Cl Cl404 1.0 0.60938 0.19215 0.70467 1.0000 + Cl Cl405 1.0 0.60938 0.25465 0.70467 1.0000 + Cl Cl406 1.0 0.60938 0.31715 0.70467 1.0000 + Cl Cl407 1.0 0.60938 0.37965 0.70467 1.0000 + Cl Cl408 1.0 0.60938 0.44215 0.70467 1.0000 + Cl Cl409 1.0 0.60938 0.50465 0.70467 1.0000 + Cl Cl410 1.0 0.60938 0.56715 0.70467 1.0000 + Cl Cl411 1.0 0.60938 0.62965 0.70467 1.0000 + Cl Cl412 1.0 0.60938 0.69215 0.70467 1.0000 + Cl Cl413 1.0 0.60938 0.75465 0.70467 1.0000 + Cl Cl414 1.0 0.60938 0.81715 0.70467 1.0000 + Cl Cl415 1.0 0.60938 0.87965 0.70467 1.0000 + Cl Cl416 1.0 0.60938 0.94215 0.70467 1.0000 + Cl Cl417 1.0 0.67188 0.00465 0.70467 1.0000 + Cl Cl418 1.0 0.67188 0.06715 0.70467 1.0000 + Cl Cl419 1.0 0.67188 0.12965 0.70467 1.0000 + Cl Cl420 1.0 0.67188 0.19215 0.70467 1.0000 + Cl Cl421 1.0 0.67188 0.25465 0.70467 1.0000 + Cl Cl422 1.0 0.67188 0.31715 0.70467 1.0000 + Cl Cl423 1.0 0.67188 0.37965 0.70467 1.0000 + Cl Cl424 1.0 0.67188 0.44215 0.70467 1.0000 + Cl Cl425 1.0 0.67188 0.50465 0.70467 1.0000 + Cl Cl426 1.0 0.67188 0.56715 0.70467 1.0000 + Cl Cl427 1.0 0.67188 0.62965 0.70467 1.0000 + Cl Cl428 1.0 0.67188 0.69215 0.70467 1.0000 + Cl Cl429 1.0 0.67188 0.75465 0.70467 1.0000 + Cl Cl430 1.0 0.67188 0.81715 0.70467 1.0000 + Cl Cl431 1.0 0.67188 0.87965 0.70467 1.0000 + Cl Cl432 1.0 0.67188 0.94215 0.70467 1.0000 + Cl Cl433 1.0 0.73438 0.00465 0.70467 1.0000 + Cl Cl434 1.0 0.73438 0.06715 0.70467 1.0000 + Cl Cl435 1.0 0.73438 0.12965 0.70467 1.0000 + Cl Cl436 1.0 0.73438 0.19215 0.70467 1.0000 + Cl Cl437 1.0 0.73438 0.25465 0.70467 1.0000 + Cl Cl438 1.0 0.73438 0.31715 0.70467 1.0000 + Cl Cl439 1.0 0.73438 0.37965 0.70467 1.0000 + Cl Cl440 1.0 0.73438 0.44215 0.70467 1.0000 + Cl Cl441 1.0 0.73438 0.50465 0.70467 1.0000 + Cl Cl442 1.0 0.73438 0.56715 0.70467 1.0000 + Cl Cl443 1.0 0.73438 0.62965 0.70467 1.0000 + Cl Cl444 1.0 0.73438 0.69215 0.70467 1.0000 + Cl Cl445 1.0 0.73438 0.75465 0.70467 1.0000 + Cl Cl446 1.0 0.73438 0.81715 0.70467 1.0000 + Cl Cl447 1.0 0.73438 0.87965 0.70467 1.0000 + Cl Cl448 1.0 0.73438 0.94215 0.70467 1.0000 + Cl Cl449 1.0 0.79688 0.00465 0.70467 1.0000 + Cl Cl450 1.0 0.79688 0.06715 0.70467 1.0000 + Cl Cl451 1.0 0.79688 0.12965 0.70467 1.0000 + Cl Cl452 1.0 0.79688 0.19215 0.70467 1.0000 + Cl Cl453 1.0 0.79688 0.25465 0.70467 1.0000 + Cl Cl454 1.0 0.79688 0.31715 0.70467 1.0000 + Cl Cl455 1.0 0.79688 0.37965 0.70467 1.0000 + Cl Cl456 1.0 0.79688 0.44215 0.70467 1.0000 + Cl Cl457 1.0 0.79688 0.50465 0.70467 1.0000 + Cl Cl458 1.0 0.79688 0.56715 0.70467 1.0000 + Cl Cl459 1.0 0.79688 0.62965 0.70467 1.0000 + Cl Cl460 1.0 0.79688 0.69215 0.70467 1.0000 + Cl Cl461 1.0 0.79688 0.75465 0.70467 1.0000 + Cl Cl462 1.0 0.79688 0.81715 0.70467 1.0000 + Cl Cl463 1.0 0.79688 0.87965 0.70467 1.0000 + Cl Cl464 1.0 0.79688 0.94215 0.70467 1.0000 + Cl Cl465 1.0 0.85938 0.00465 0.70467 1.0000 + Cl Cl466 1.0 0.85938 0.06715 0.70467 1.0000 + Cl Cl467 1.0 0.85938 0.12965 0.70467 1.0000 + Cl Cl468 1.0 0.85938 0.19215 0.70467 1.0000 + Cl Cl469 1.0 0.85938 0.25465 0.70467 1.0000 + Cl Cl470 1.0 0.85938 0.31715 0.70467 1.0000 + Cl Cl471 1.0 0.85938 0.37965 0.70467 1.0000 + Cl Cl472 1.0 0.85938 0.44215 0.70467 1.0000 + Cl Cl473 1.0 0.85938 0.50465 0.70467 1.0000 + Cl Cl474 1.0 0.85938 0.56715 0.70467 1.0000 + Cl Cl475 1.0 0.85938 0.62965 0.70467 1.0000 + Cl Cl476 1.0 0.85938 0.69215 0.70467 1.0000 + Cl Cl477 1.0 0.85938 0.75465 0.70467 1.0000 + Cl Cl478 1.0 0.85938 0.81715 0.70467 1.0000 + Cl Cl479 1.0 0.85938 0.87965 0.70467 1.0000 + Cl Cl480 1.0 0.85938 0.94215 0.70467 1.0000 + Cl Cl481 1.0 0.92188 0.00465 0.70467 1.0000 + Cl Cl482 1.0 0.92188 0.06715 0.70467 1.0000 + Cl Cl483 1.0 0.92188 0.12965 0.70467 1.0000 + Cl Cl484 1.0 0.92188 0.19215 0.70467 1.0000 + Cl Cl485 1.0 0.92188 0.25465 0.70467 1.0000 + Cl Cl486 1.0 0.92188 0.31715 0.70467 1.0000 + Cl Cl487 1.0 0.92188 0.37965 0.70467 1.0000 + Cl Cl488 1.0 0.92188 0.44215 0.70467 1.0000 + Cl Cl489 1.0 0.92188 0.50465 0.70467 1.0000 + Cl Cl490 1.0 0.92188 0.56715 0.70467 1.0000 + Cl Cl491 1.0 0.92188 0.62965 0.70467 1.0000 + Cl Cl492 1.0 0.92188 0.69215 0.70467 1.0000 + Cl Cl493 1.0 0.92188 0.75465 0.70467 1.0000 + Cl Cl494 1.0 0.92188 0.81715 0.70467 1.0000 + Cl Cl495 1.0 0.92188 0.87965 0.70467 1.0000 + Cl Cl496 1.0 0.92188 0.94215 0.70467 1.0000 + Cl Cl497 1.0 0.98438 0.00465 0.70467 1.0000 + Cl Cl498 1.0 0.98438 0.06715 0.70467 1.0000 + Cl Cl499 1.0 0.98438 0.12965 0.70467 1.0000 + Cl Cl500 1.0 0.98438 0.19215 0.70467 1.0000 + Cl Cl501 1.0 0.98438 0.25465 0.70467 1.0000 + Cl Cl502 1.0 0.98438 0.31715 0.70467 1.0000 + Cl Cl503 1.0 0.98438 0.37965 0.70467 1.0000 + Cl Cl504 1.0 0.98438 0.44215 0.70467 1.0000 + Cl Cl505 1.0 0.98438 0.50465 0.70467 1.0000 + Cl Cl506 1.0 0.98438 0.56715 0.70467 1.0000 + Cl Cl507 1.0 0.98438 0.62965 0.70467 1.0000 + Cl Cl508 1.0 0.98438 0.69215 0.70467 1.0000 + Cl Cl509 1.0 0.98438 0.75465 0.70467 1.0000 + Cl Cl510 1.0 0.98438 0.81715 0.70467 1.0000 + Cl Cl511 1.0 0.98438 0.87965 0.70467 1.0000 + Cl Cl512 1.0 0.98438 0.94215 0.70467 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-3485_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-3485_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..771ad01e2408fb2d2e561c4a7f076afb3441b17c --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-3485_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Cd256Cl512Cd256Cl512 +_chemical_formula_sum "Cd512 Cl1024" +_cell_length_a 107.001 +_cell_length_b 61.7768 +_cell_length_c 6.91812 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Cd Cd1 1.0 0.00000 0.00000 0.50000 1.0000 + Cd Cd2 1.0 0.03125 0.03125 0.50000 1.0000 + Cd Cd3 1.0 0.06250 0.06250 0.50000 1.0000 + Cd Cd4 1.0 0.09375 0.09375 0.50000 1.0000 + Cd Cd5 1.0 0.12500 0.12500 0.50000 1.0000 + Cd Cd6 1.0 0.15625 0.15625 0.50000 1.0000 + Cd Cd7 1.0 0.18750 0.18750 0.50000 1.0000 + Cd Cd8 1.0 0.21875 0.21875 0.50000 1.0000 + Cd Cd9 1.0 0.25000 0.25000 0.50000 1.0000 + Cd Cd10 1.0 0.28125 0.28125 0.50000 1.0000 + Cd Cd11 1.0 0.81250 0.81250 0.50000 1.0000 + Cd Cd12 1.0 0.34375 0.34375 0.50000 1.0000 + Cd Cd13 1.0 0.37500 0.37500 0.50000 1.0000 + Cd Cd14 1.0 0.40625 0.40625 0.50000 1.0000 + Cd Cd15 1.0 0.43750 0.43750 0.50000 1.0000 + Cd Cd16 1.0 0.46875 0.46875 0.50000 1.0000 + Cd Cd17 1.0 0.03125 0.96875 0.50000 1.0000 + Cd Cd18 1.0 0.06250 0.00000 0.50000 1.0000 + Cd Cd19 1.0 0.09375 0.03125 0.50000 1.0000 + Cd Cd20 1.0 0.12500 0.06250 0.50000 1.0000 + Cd Cd21 1.0 0.15625 0.09375 0.50000 1.0000 + Cd Cd22 1.0 0.18750 0.12500 0.50000 1.0000 + Cd Cd23 1.0 0.21875 0.15625 0.50000 1.0000 + Cd Cd24 1.0 0.25000 0.18750 0.50000 1.0000 + Cd Cd25 1.0 0.28125 0.21875 0.50000 1.0000 + Cd Cd26 1.0 0.31250 0.25000 0.50000 1.0000 + Cd Cd27 1.0 0.34375 0.28125 0.50000 1.0000 + Cd Cd28 1.0 0.37500 0.31250 0.50000 1.0000 + Cd Cd29 1.0 0.40625 0.34375 0.50000 1.0000 + Cd Cd30 1.0 0.43750 0.37500 0.50000 1.0000 + Cd Cd31 1.0 0.46875 0.40625 0.50000 1.0000 + Cd Cd32 1.0 0.50000 0.43750 0.50000 1.0000 + Cd Cd33 1.0 0.06250 0.93750 0.50000 1.0000 + Cd Cd34 1.0 0.09375 0.96875 0.50000 1.0000 + Cd Cd35 1.0 0.12500 0.00000 0.50000 1.0000 + Cd Cd36 1.0 0.15625 0.03125 0.50000 1.0000 + Cd Cd37 1.0 0.18750 0.06250 0.50000 1.0000 + Cd Cd38 1.0 0.21875 0.09375 0.50000 1.0000 + Cd Cd39 1.0 0.25000 0.12500 0.50000 1.0000 + Cd Cd40 1.0 0.28125 0.15625 0.50000 1.0000 + Cd Cd41 1.0 0.31250 0.18750 0.50000 1.0000 + Cd Cd42 1.0 0.34375 0.21875 0.50000 1.0000 + Cd Cd43 1.0 0.37500 0.25000 0.50000 1.0000 + Cd Cd44 1.0 0.40625 0.28125 0.50000 1.0000 + Cd Cd45 1.0 0.43750 0.31250 0.50000 1.0000 + Cd Cd46 1.0 0.46875 0.34375 0.50000 1.0000 + Cd Cd47 1.0 0.50000 0.37500 0.50000 1.0000 + Cd Cd48 1.0 0.53125 0.40625 0.50000 1.0000 + Cd Cd49 1.0 0.09375 0.90625 0.50000 1.0000 + Cd Cd50 1.0 0.12500 0.93750 0.50000 1.0000 + Cd Cd51 1.0 0.15625 0.96875 0.50000 1.0000 + Cd Cd52 1.0 0.18750 0.00000 0.50000 1.0000 + Cd Cd53 1.0 0.21875 0.03125 0.50000 1.0000 + Cd Cd54 1.0 0.25000 0.06250 0.50000 1.0000 + Cd Cd55 1.0 0.28125 0.09375 0.50000 1.0000 + Cd Cd56 1.0 0.31250 0.12500 0.50000 1.0000 + Cd Cd57 1.0 0.34375 0.15625 0.50000 1.0000 + Cd Cd58 1.0 0.37500 0.18750 0.50000 1.0000 + Cd Cd59 1.0 0.40625 0.21875 0.50000 1.0000 + Cd Cd60 1.0 0.43750 0.25000 0.50000 1.0000 + Cd Cd61 1.0 0.46875 0.28125 0.50000 1.0000 + Cd Cd62 1.0 0.50000 0.31250 0.50000 1.0000 + Cd Cd63 1.0 0.53125 0.34375 0.50000 1.0000 + Cd Cd64 1.0 0.56250 0.37500 0.50000 1.0000 + Cd Cd65 1.0 0.12500 0.87500 0.50000 1.0000 + Cd Cd66 1.0 0.15625 0.90625 0.50000 1.0000 + Cd Cd67 1.0 0.18750 0.93750 0.50000 1.0000 + Cd Cd68 1.0 0.21875 0.96875 0.50000 1.0000 + Cd Cd69 1.0 0.25000 0.00000 0.50000 1.0000 + Cd Cd70 1.0 0.28125 0.03125 0.50000 1.0000 + Cd Cd71 1.0 0.31250 0.06250 0.50000 1.0000 + Cd Cd72 1.0 0.34375 0.09375 0.50000 1.0000 + Cd Cd73 1.0 0.37500 0.12500 0.50000 1.0000 + Cd Cd74 1.0 0.40625 0.15625 0.50000 1.0000 + Cd Cd75 1.0 0.43750 0.18750 0.50000 1.0000 + Cd Cd76 1.0 0.46875 0.21875 0.50000 1.0000 + Cd Cd77 1.0 0.50000 0.25000 0.50000 1.0000 + Cd Cd78 1.0 0.53125 0.28125 0.50000 1.0000 + Cd Cd79 1.0 0.56250 0.31250 0.50000 1.0000 + Cd Cd80 1.0 0.59375 0.34375 0.50000 1.0000 + Cd Cd81 1.0 0.15625 0.84375 0.50000 1.0000 + Cd Cd82 1.0 0.18750 0.87500 0.50000 1.0000 + Cd Cd83 1.0 0.21875 0.90625 0.50000 1.0000 + Cd Cd84 1.0 0.25000 0.93750 0.50000 1.0000 + Cd Cd85 1.0 0.28125 0.96875 0.50000 1.0000 + Cd Cd86 1.0 0.31250 0.00000 0.50000 1.0000 + Cd Cd87 1.0 0.34375 0.03125 0.50000 1.0000 + Cd Cd88 1.0 0.37500 0.06250 0.50000 1.0000 + Cd Cd89 1.0 0.40625 0.09375 0.50000 1.0000 + Cd Cd90 1.0 0.43750 0.12500 0.50000 1.0000 + Cd Cd91 1.0 0.46875 0.15625 0.50000 1.0000 + Cd Cd92 1.0 0.50000 0.18750 0.50000 1.0000 + Cd Cd93 1.0 0.53125 0.21875 0.50000 1.0000 + Cd Cd94 1.0 0.56250 0.25000 0.50000 1.0000 + Cd Cd95 1.0 0.59375 0.28125 0.50000 1.0000 + Cd Cd96 1.0 0.62500 0.31250 0.50000 1.0000 + Cd Cd97 1.0 0.18750 0.81250 0.50000 1.0000 + Cd Cd98 1.0 0.21875 0.84375 0.50000 1.0000 + Cd Cd99 1.0 0.25000 0.87500 0.50000 1.0000 + Cd Cd100 1.0 0.28125 0.90625 0.50000 1.0000 + Cd Cd101 1.0 0.31250 0.93750 0.50000 1.0000 + Cd Cd102 1.0 0.34375 0.96875 0.50000 1.0000 + Cd Cd103 1.0 0.37500 0.00000 0.50000 1.0000 + Cd Cd104 1.0 0.40625 0.03125 0.50000 1.0000 + Cd Cd105 1.0 0.43750 0.06250 0.50000 1.0000 + Cd Cd106 1.0 0.46875 0.09375 0.50000 1.0000 + Cd Cd107 1.0 0.50000 0.12500 0.50000 1.0000 + Cd Cd108 1.0 0.53125 0.15625 0.50000 1.0000 + Cd Cd109 1.0 0.56250 0.18750 0.50000 1.0000 + Cd Cd110 1.0 0.59375 0.21875 0.50000 1.0000 + Cd Cd111 1.0 0.62500 0.25000 0.50000 1.0000 + Cd Cd112 1.0 0.65625 0.28125 0.50000 1.0000 + Cd Cd113 1.0 0.21875 0.78125 0.50000 1.0000 + Cd Cd114 1.0 0.25000 0.81250 0.50000 1.0000 + Cd Cd115 1.0 0.28125 0.84375 0.50000 1.0000 + Cd Cd116 1.0 0.31250 0.87500 0.50000 1.0000 + Cd Cd117 1.0 0.34375 0.90625 0.50000 1.0000 + Cd Cd118 1.0 0.37500 0.93750 0.50000 1.0000 + Cd Cd119 1.0 0.40625 0.96875 0.50000 1.0000 + Cd Cd120 1.0 0.43750 0.00000 0.50000 1.0000 + Cd Cd121 1.0 0.46875 0.03125 0.50000 1.0000 + Cd Cd122 1.0 0.50000 0.06250 0.50000 1.0000 + Cd Cd123 1.0 0.53125 0.09375 0.50000 1.0000 + Cd Cd124 1.0 0.56250 0.12500 0.50000 1.0000 + Cd Cd125 1.0 0.59375 0.15625 0.50000 1.0000 + Cd Cd126 1.0 0.62500 0.18750 0.50000 1.0000 + Cd Cd127 1.0 0.65625 0.21875 0.50000 1.0000 + Cd Cd128 1.0 0.68750 0.25000 0.50000 1.0000 + Cd Cd129 1.0 0.25000 0.75000 0.50000 1.0000 + Cd Cd130 1.0 0.28125 0.78125 0.50000 1.0000 + Cd Cd131 1.0 0.31250 0.81250 0.50000 1.0000 + Cd Cd132 1.0 0.34375 0.84375 0.50000 1.0000 + Cd Cd133 1.0 0.37500 0.87500 0.50000 1.0000 + Cd Cd134 1.0 0.40625 0.90625 0.50000 1.0000 + Cd Cd135 1.0 0.43750 0.93750 0.50000 1.0000 + Cd Cd136 1.0 0.46875 0.96875 0.50000 1.0000 + Cd Cd137 1.0 0.50000 0.00000 0.50000 1.0000 + Cd Cd138 1.0 0.53125 0.03125 0.50000 1.0000 + Cd Cd139 1.0 0.56250 0.06250 0.50000 1.0000 + Cd Cd140 1.0 0.59375 0.09375 0.50000 1.0000 + Cd Cd141 1.0 0.62500 0.12500 0.50000 1.0000 + Cd Cd142 1.0 0.65625 0.15625 0.50000 1.0000 + Cd Cd143 1.0 0.68750 0.18750 0.50000 1.0000 + Cd Cd144 1.0 0.71875 0.21875 0.50000 1.0000 + Cd Cd145 1.0 0.28125 0.71875 0.50000 1.0000 + Cd Cd146 1.0 0.31250 0.75000 0.50000 1.0000 + Cd Cd147 1.0 0.34375 0.78125 0.50000 1.0000 + Cd Cd148 1.0 0.37500 0.81250 0.50000 1.0000 + Cd Cd149 1.0 0.40625 0.84375 0.50000 1.0000 + Cd Cd150 1.0 0.43750 0.87500 0.50000 1.0000 + Cd Cd151 1.0 0.46875 0.90625 0.50000 1.0000 + Cd Cd152 1.0 0.50000 0.93750 0.50000 1.0000 + Cd Cd153 1.0 0.53125 0.96875 0.50000 1.0000 + Cd Cd154 1.0 0.56250 0.00000 0.50000 1.0000 + Cd Cd155 1.0 0.59375 0.03125 0.50000 1.0000 + Cd Cd156 1.0 0.62500 0.06250 0.50000 1.0000 + Cd Cd157 1.0 0.65625 0.09375 0.50000 1.0000 + Cd Cd158 1.0 0.68750 0.12500 0.50000 1.0000 + Cd Cd159 1.0 0.71875 0.15625 0.50000 1.0000 + Cd Cd160 1.0 0.75000 0.18750 0.50000 1.0000 + Cd Cd161 1.0 0.31250 0.68750 0.50000 1.0000 + Cd Cd162 1.0 0.34375 0.71875 0.50000 1.0000 + Cd Cd163 1.0 0.37500 0.75000 0.50000 1.0000 + Cd Cd164 1.0 0.40625 0.78125 0.50000 1.0000 + Cd Cd165 1.0 0.43750 0.81250 0.50000 1.0000 + Cd Cd166 1.0 0.46875 0.84375 0.50000 1.0000 + Cd Cd167 1.0 0.50000 0.87500 0.50000 1.0000 + Cd Cd168 1.0 0.53125 0.90625 0.50000 1.0000 + Cd Cd169 1.0 0.56250 0.93750 0.50000 1.0000 + Cd Cd170 1.0 0.59375 0.96875 0.50000 1.0000 + Cd Cd171 1.0 0.62500 0.00000 0.50000 1.0000 + Cd Cd172 1.0 0.65625 0.03125 0.50000 1.0000 + Cd Cd173 1.0 0.68750 0.06250 0.50000 1.0000 + Cd Cd174 1.0 0.71875 0.09375 0.50000 1.0000 + Cd Cd175 1.0 0.75000 0.12500 0.50000 1.0000 + Cd Cd176 1.0 0.78125 0.15625 0.50000 1.0000 + Cd Cd177 1.0 0.34375 0.65625 0.50000 1.0000 + Cd Cd178 1.0 0.37500 0.68750 0.50000 1.0000 + Cd Cd179 1.0 0.40625 0.71875 0.50000 1.0000 + Cd Cd180 1.0 0.43750 0.75000 0.50000 1.0000 + Cd Cd181 1.0 0.46875 0.78125 0.50000 1.0000 + Cd Cd182 1.0 0.50000 0.81250 0.50000 1.0000 + Cd Cd183 1.0 0.53125 0.84375 0.50000 1.0000 + Cd Cd184 1.0 0.56250 0.87500 0.50000 1.0000 + Cd Cd185 1.0 0.59375 0.90625 0.50000 1.0000 + Cd Cd186 1.0 0.62500 0.93750 0.50000 1.0000 + Cd Cd187 1.0 0.65625 0.96875 0.50000 1.0000 + Cd Cd188 1.0 0.68750 0.00000 0.50000 1.0000 + Cd Cd189 1.0 0.71875 0.03125 0.50000 1.0000 + Cd Cd190 1.0 0.75000 0.06250 0.50000 1.0000 + Cd Cd191 1.0 0.78125 0.09375 0.50000 1.0000 + Cd Cd192 1.0 0.81250 0.12500 0.50000 1.0000 + Cd Cd193 1.0 0.37500 0.62500 0.50000 1.0000 + Cd Cd194 1.0 0.40625 0.65625 0.50000 1.0000 + Cd Cd195 1.0 0.43750 0.68750 0.50000 1.0000 + Cd Cd196 1.0 0.46875 0.71875 0.50000 1.0000 + Cd Cd197 1.0 0.50000 0.75000 0.50000 1.0000 + Cd Cd198 1.0 0.53125 0.78125 0.50000 1.0000 + Cd Cd199 1.0 0.56250 0.81250 0.50000 1.0000 + Cd Cd200 1.0 0.59375 0.84375 0.50000 1.0000 + Cd Cd201 1.0 0.62500 0.87500 0.50000 1.0000 + Cd Cd202 1.0 0.65625 0.90625 0.50000 1.0000 + Cd Cd203 1.0 0.68750 0.93750 0.50000 1.0000 + Cd Cd204 1.0 0.71875 0.96875 0.50000 1.0000 + Cd Cd205 1.0 0.75000 0.00000 0.50000 1.0000 + Cd Cd206 1.0 0.78125 0.03125 0.50000 1.0000 + Cd Cd207 1.0 0.81250 0.06250 0.50000 1.0000 + Cd Cd208 1.0 0.84375 0.09375 0.50000 1.0000 + Cd Cd209 1.0 0.40625 0.59375 0.50000 1.0000 + Cd Cd210 1.0 0.43750 0.62500 0.50000 1.0000 + Cd Cd211 1.0 0.46875 0.65625 0.50000 1.0000 + Cd Cd212 1.0 0.50000 0.68750 0.50000 1.0000 + Cd Cd213 1.0 0.53125 0.71875 0.50000 1.0000 + Cd Cd214 1.0 0.56250 0.75000 0.50000 1.0000 + Cd Cd215 1.0 0.59375 0.78125 0.50000 1.0000 + Cd Cd216 1.0 0.62500 0.81250 0.50000 1.0000 + Cd Cd217 1.0 0.65625 0.84375 0.50000 1.0000 + Cd Cd218 1.0 0.68750 0.87500 0.50000 1.0000 + Cd Cd219 1.0 0.71875 0.90625 0.50000 1.0000 + Cd Cd220 1.0 0.75000 0.93750 0.50000 1.0000 + Cd Cd221 1.0 0.78125 0.96875 0.50000 1.0000 + Cd Cd222 1.0 0.81250 0.00000 0.50000 1.0000 + Cd Cd223 1.0 0.84375 0.03125 0.50000 1.0000 + Cd Cd224 1.0 0.87500 0.06250 0.50000 1.0000 + Cd Cd225 1.0 0.43750 0.56250 0.50000 1.0000 + Cd Cd226 1.0 0.46875 0.59375 0.50000 1.0000 + Cd Cd227 1.0 0.50000 0.62500 0.50000 1.0000 + Cd Cd228 1.0 0.53125 0.65625 0.50000 1.0000 + Cd Cd229 1.0 0.56250 0.68750 0.50000 1.0000 + Cd Cd230 1.0 0.59375 0.71875 0.50000 1.0000 + Cd Cd231 1.0 0.62500 0.75000 0.50000 1.0000 + Cd Cd232 1.0 0.65625 0.78125 0.50000 1.0000 + Cd Cd233 1.0 0.68750 0.81250 0.50000 1.0000 + Cd Cd234 1.0 0.71875 0.84375 0.50000 1.0000 + Cd Cd235 1.0 0.75000 0.87500 0.50000 1.0000 + Cd Cd236 1.0 0.78125 0.90625 0.50000 1.0000 + Cd Cd237 1.0 0.81250 0.93750 0.50000 1.0000 + Cd Cd238 1.0 0.84375 0.96875 0.50000 1.0000 + Cd Cd239 1.0 0.87500 0.00000 0.50000 1.0000 + Cd Cd240 1.0 0.90625 0.03125 0.50000 1.0000 + Cd Cd241 1.0 0.46875 0.53125 0.50000 1.0000 + Cd Cd242 1.0 0.50000 0.56250 0.50000 1.0000 + Cd Cd243 1.0 0.53125 0.59375 0.50000 1.0000 + Cd Cd244 1.0 0.56250 0.62500 0.50000 1.0000 + Cd Cd245 1.0 0.59375 0.65625 0.50000 1.0000 + Cd Cd246 1.0 0.62500 0.68750 0.50000 1.0000 + Cd Cd247 1.0 0.65625 0.71875 0.50000 1.0000 + Cd Cd248 1.0 0.68750 0.75000 0.50000 1.0000 + Cd Cd249 1.0 0.71875 0.78125 0.50000 1.0000 + Cd Cd250 1.0 0.75000 0.81250 0.50000 1.0000 + Cd Cd251 1.0 0.78125 0.84375 0.50000 1.0000 + Cd Cd252 1.0 0.81250 0.87500 0.50000 1.0000 + Cd Cd253 1.0 0.84375 0.90625 0.50000 1.0000 + Cd Cd254 1.0 0.87500 0.93750 0.50000 1.0000 + Cd Cd255 1.0 0.90625 0.96875 0.50000 1.0000 + Cd Cd256 1.0 0.93750 0.00000 0.50000 1.0000 + Cl Cl1 1.0 0.04167 0.00000 0.28910 1.0000 + Cl Cl2 1.0 0.07292 0.03125 0.28910 1.0000 + Cl Cl3 1.0 0.10417 0.06250 0.28910 1.0000 + Cl Cl4 1.0 0.13542 0.09375 0.28910 1.0000 + Cl Cl5 1.0 0.16667 0.12500 0.28910 1.0000 + Cl Cl6 1.0 0.19792 0.15625 0.28910 1.0000 + Cl Cl7 1.0 0.22917 0.18750 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0.71090 1.0000 + Cl Cl422 1.0 0.48958 0.84375 0.71090 1.0000 + Cl Cl423 1.0 0.52083 0.87500 0.71090 1.0000 + Cl Cl424 1.0 0.55208 0.90625 0.71090 1.0000 + Cl Cl425 1.0 0.58333 0.93750 0.71090 1.0000 + Cl Cl426 1.0 0.61458 0.96875 0.71090 1.0000 + Cl Cl427 1.0 0.64583 0.00000 0.71090 1.0000 + Cl Cl428 1.0 0.67708 0.03125 0.71090 1.0000 + Cl Cl429 1.0 0.70833 0.06250 0.71090 1.0000 + Cl Cl430 1.0 0.73958 0.09375 0.71090 1.0000 + Cl Cl431 1.0 0.77083 0.12500 0.71090 1.0000 + Cl Cl432 1.0 0.80208 0.15625 0.71090 1.0000 + Cl Cl433 1.0 0.36458 0.65625 0.71090 1.0000 + Cl Cl434 1.0 0.39583 0.68750 0.71090 1.0000 + Cl Cl435 1.0 0.42708 0.71875 0.71090 1.0000 + Cl Cl436 1.0 0.45833 0.75000 0.71090 1.0000 + Cl Cl437 1.0 0.48958 0.78125 0.71090 1.0000 + Cl Cl438 1.0 0.52083 0.81250 0.71090 1.0000 + Cl Cl439 1.0 0.55208 0.84375 0.71090 1.0000 + Cl Cl440 1.0 0.58333 0.87500 0.71090 1.0000 + Cl Cl441 1.0 0.61458 0.90625 0.71090 1.0000 + Cl Cl442 1.0 0.64583 0.93750 0.71090 1.0000 + Cl Cl443 1.0 0.67708 0.96875 0.71090 1.0000 + Cl Cl444 1.0 0.70833 0.00000 0.71090 1.0000 + Cl Cl445 1.0 0.73958 0.03125 0.71090 1.0000 + Cl Cl446 1.0 0.77083 0.06250 0.71090 1.0000 + Cl Cl447 1.0 0.80208 0.09375 0.71090 1.0000 + Cl Cl448 1.0 0.83333 0.12500 0.71090 1.0000 + Cl Cl449 1.0 0.39583 0.62500 0.71090 1.0000 + Cl Cl450 1.0 0.42708 0.65625 0.71090 1.0000 + Cl Cl451 1.0 0.45833 0.68750 0.71090 1.0000 + Cl Cl452 1.0 0.48958 0.71875 0.71090 1.0000 + Cl Cl453 1.0 0.52083 0.75000 0.71090 1.0000 + Cl Cl454 1.0 0.55208 0.78125 0.71090 1.0000 + Cl Cl455 1.0 0.58333 0.81250 0.71090 1.0000 + Cl Cl456 1.0 0.61458 0.84375 0.71090 1.0000 + Cl Cl457 1.0 0.64583 0.87500 0.71090 1.0000 + Cl Cl458 1.0 0.67708 0.90625 0.71090 1.0000 + Cl Cl459 1.0 0.70833 0.93750 0.71090 1.0000 + Cl Cl460 1.0 0.73958 0.96875 0.71090 1.0000 + Cl Cl461 1.0 0.77083 1.00000 0.71090 1.0000 + Cl Cl462 1.0 0.80208 0.03125 0.71090 1.0000 + Cl Cl463 1.0 0.83333 0.06250 0.71090 1.0000 + Cl Cl464 1.0 0.86458 0.09375 0.71090 1.0000 + Cl Cl465 1.0 0.42708 0.59375 0.71090 1.0000 + Cl Cl466 1.0 0.45833 0.62500 0.71090 1.0000 + Cl Cl467 1.0 0.48958 0.65625 0.71090 1.0000 + Cl Cl468 1.0 0.52083 0.68750 0.71090 1.0000 + Cl Cl469 1.0 0.55208 0.71875 0.71090 1.0000 + Cl Cl470 1.0 0.58333 0.75000 0.71090 1.0000 + Cl Cl471 1.0 0.61458 0.78125 0.71090 1.0000 + Cl Cl472 1.0 0.64583 0.81250 0.71090 1.0000 + Cl Cl473 1.0 0.67708 0.84375 0.71090 1.0000 + Cl Cl474 1.0 0.70833 0.87500 0.71090 1.0000 + Cl Cl475 1.0 0.73958 0.90625 0.71090 1.0000 + Cl Cl476 1.0 0.77083 0.93750 0.71090 1.0000 + Cl Cl477 1.0 0.80208 0.96875 0.71090 1.0000 + Cl Cl478 1.0 0.83333 0.00000 0.71090 1.0000 + Cl Cl479 1.0 0.86458 0.03125 0.71090 1.0000 + Cl Cl480 1.0 0.89583 0.06250 0.71090 1.0000 + Cl Cl481 1.0 0.45833 0.56250 0.71090 1.0000 + Cl Cl482 1.0 0.48958 0.59375 0.71090 1.0000 + Cl Cl483 1.0 0.52083 0.62500 0.71090 1.0000 + Cl Cl484 1.0 0.55208 0.65625 0.71090 1.0000 + Cl Cl485 1.0 0.58333 0.68750 0.71090 1.0000 + Cl Cl486 1.0 0.61458 0.71875 0.71090 1.0000 + Cl Cl487 1.0 0.64583 0.75000 0.71090 1.0000 + Cl Cl488 1.0 0.67708 0.78125 0.71090 1.0000 + Cl Cl489 1.0 0.70833 0.81250 0.71090 1.0000 + Cl Cl490 1.0 0.73958 0.84375 0.71090 1.0000 + Cl Cl491 1.0 0.77083 0.87500 0.71090 1.0000 + Cl Cl492 1.0 0.80208 0.90625 0.71090 1.0000 + Cl Cl493 1.0 0.83333 0.93750 0.71090 1.0000 + Cl Cl494 1.0 0.86458 0.96875 0.71090 1.0000 + Cl Cl495 1.0 0.89583 0.00000 0.71090 1.0000 + Cl Cl496 1.0 0.92708 0.03125 0.71090 1.0000 + Cl Cl497 1.0 0.48958 0.53125 0.71090 1.0000 + Cl Cl498 1.0 0.52083 0.56250 0.71090 1.0000 + Cl Cl499 1.0 0.55208 0.59375 0.71090 1.0000 + Cl Cl500 1.0 0.58333 0.62500 0.71090 1.0000 + Cl Cl501 1.0 0.61458 0.65625 0.71090 1.0000 + Cl Cl502 1.0 0.64583 0.68750 0.71090 1.0000 + Cl Cl503 1.0 0.67708 0.71875 0.71090 1.0000 + Cl Cl504 1.0 0.70833 0.75000 0.71090 1.0000 + Cl Cl505 1.0 0.73958 0.78125 0.71090 1.0000 + Cl Cl506 1.0 0.77083 0.81250 0.71090 1.0000 + Cl Cl507 1.0 0.80208 0.84375 0.71090 1.0000 + Cl Cl508 1.0 0.83333 0.87500 0.71090 1.0000 + Cl Cl509 1.0 0.86458 0.90625 0.71090 1.0000 + Cl Cl510 1.0 0.89583 0.93750 0.71090 1.0000 + Cl Cl511 1.0 0.92708 0.96875 0.71090 1.0000 + Cl Cl512 1.0 0.95833 0.00000 0.71090 1.0000 + Cd Cd257 1.0 0.50000 0.50000 0.50000 1.0000 + Cd Cd258 1.0 0.53125 0.53125 0.50000 1.0000 + Cd Cd259 1.0 0.56250 0.56250 0.50000 1.0000 + Cd Cd260 1.0 0.59375 0.59375 0.50000 1.0000 + Cd Cd261 1.0 0.62500 0.62500 0.50000 1.0000 + Cd Cd262 1.0 0.65625 0.65625 0.50000 1.0000 + Cd Cd263 1.0 0.68750 0.68750 0.50000 1.0000 + Cd Cd264 1.0 0.71875 0.71875 0.50000 1.0000 + Cd Cd265 1.0 0.75000 0.75000 0.50000 1.0000 + Cd Cd266 1.0 0.78125 0.78125 0.50000 1.0000 + Cd Cd267 1.0 0.31250 0.31250 0.50000 1.0000 + Cd Cd268 1.0 0.84375 0.84375 0.50000 1.0000 + Cd Cd269 1.0 0.87500 0.87500 0.50000 1.0000 + Cd Cd270 1.0 0.90625 0.90625 0.50000 1.0000 + Cd Cd271 1.0 0.93750 0.93750 0.50000 1.0000 + Cd Cd272 1.0 0.96875 0.96875 0.50000 1.0000 + Cd Cd273 1.0 0.53125 0.46875 0.50000 1.0000 + Cd Cd274 1.0 0.56250 0.50000 0.50000 1.0000 + Cd Cd275 1.0 0.59375 0.53125 0.50000 1.0000 + Cd Cd276 1.0 0.62500 0.56250 0.50000 1.0000 + Cd Cd277 1.0 0.65625 0.59375 0.50000 1.0000 + Cd Cd278 1.0 0.68750 0.62500 0.50000 1.0000 + Cd Cd279 1.0 0.71875 0.65625 0.50000 1.0000 + Cd Cd280 1.0 0.75000 0.68750 0.50000 1.0000 + Cd Cd281 1.0 0.78125 0.71875 0.50000 1.0000 + Cd Cd282 1.0 0.81250 0.75000 0.50000 1.0000 + Cd Cd283 1.0 0.84375 0.78125 0.50000 1.0000 + Cd Cd284 1.0 0.87500 0.81250 0.50000 1.0000 + Cd Cd285 1.0 0.90625 0.84375 0.50000 1.0000 + Cd Cd286 1.0 0.93750 0.87500 0.50000 1.0000 + Cd Cd287 1.0 0.96875 0.90625 0.50000 1.0000 + Cd Cd288 1.0 0.00000 0.93750 0.50000 1.0000 + Cd Cd289 1.0 0.56250 0.43750 0.50000 1.0000 + Cd Cd290 1.0 0.59375 0.46875 0.50000 1.0000 + Cd Cd291 1.0 0.62500 0.50000 0.50000 1.0000 + Cd Cd292 1.0 0.65625 0.53125 0.50000 1.0000 + Cd Cd293 1.0 0.68750 0.56250 0.50000 1.0000 + Cd Cd294 1.0 0.71875 0.59375 0.50000 1.0000 + Cd Cd295 1.0 0.75000 0.62500 0.50000 1.0000 + Cd Cd296 1.0 0.78125 0.65625 0.50000 1.0000 + Cd Cd297 1.0 0.81250 0.68750 0.50000 1.0000 + Cd Cd298 1.0 0.84375 0.71875 0.50000 1.0000 + Cd Cd299 1.0 0.87500 0.75000 0.50000 1.0000 + Cd Cd300 1.0 0.90625 0.78125 0.50000 1.0000 + Cd Cd301 1.0 0.93750 0.81250 0.50000 1.0000 + Cd Cd302 1.0 0.96875 0.84375 0.50000 1.0000 + Cd Cd303 1.0 0.00000 0.87500 0.50000 1.0000 + Cd Cd304 1.0 0.03125 0.90625 0.50000 1.0000 + Cd Cd305 1.0 0.59375 0.40625 0.50000 1.0000 + Cd Cd306 1.0 0.62500 0.43750 0.50000 1.0000 + Cd Cd307 1.0 0.65625 0.46875 0.50000 1.0000 + Cd Cd308 1.0 0.68750 0.50000 0.50000 1.0000 + Cd Cd309 1.0 0.71875 0.53125 0.50000 1.0000 + Cd Cd310 1.0 0.75000 0.56250 0.50000 1.0000 + Cd Cd311 1.0 0.78125 0.59375 0.50000 1.0000 + Cd Cd312 1.0 0.81250 0.62500 0.50000 1.0000 + Cd Cd313 1.0 0.84375 0.65625 0.50000 1.0000 + Cd Cd314 1.0 0.87500 0.68750 0.50000 1.0000 + Cd Cd315 1.0 0.90625 0.71875 0.50000 1.0000 + Cd Cd316 1.0 0.93750 0.75000 0.50000 1.0000 + Cd Cd317 1.0 0.96875 0.78125 0.50000 1.0000 + Cd Cd318 1.0 0.00000 0.81250 0.50000 1.0000 + Cd Cd319 1.0 0.03125 0.84375 0.50000 1.0000 + Cd Cd320 1.0 0.06250 0.87500 0.50000 1.0000 + Cd Cd321 1.0 0.62500 0.37500 0.50000 1.0000 + Cd Cd322 1.0 0.65625 0.40625 0.50000 1.0000 + Cd Cd323 1.0 0.68750 0.43750 0.50000 1.0000 + Cd Cd324 1.0 0.71875 0.46875 0.50000 1.0000 + Cd Cd325 1.0 0.75000 0.50000 0.50000 1.0000 + Cd Cd326 1.0 0.78125 0.53125 0.50000 1.0000 + Cd Cd327 1.0 0.81250 0.56250 0.50000 1.0000 + Cd Cd328 1.0 0.84375 0.59375 0.50000 1.0000 + Cd Cd329 1.0 0.87500 0.62500 0.50000 1.0000 + Cd Cd330 1.0 0.90625 0.65625 0.50000 1.0000 + Cd Cd331 1.0 0.93750 0.68750 0.50000 1.0000 + Cd Cd332 1.0 0.96875 0.71875 0.50000 1.0000 + Cd Cd333 1.0 0.00000 0.75000 0.50000 1.0000 + Cd Cd334 1.0 0.03125 0.78125 0.50000 1.0000 + Cd Cd335 1.0 0.06250 0.81250 0.50000 1.0000 + Cd Cd336 1.0 0.09375 0.84375 0.50000 1.0000 + Cd Cd337 1.0 0.65625 0.34375 0.50000 1.0000 + Cd Cd338 1.0 0.68750 0.37500 0.50000 1.0000 + Cd Cd339 1.0 0.71875 0.40625 0.50000 1.0000 + Cd Cd340 1.0 0.75000 0.43750 0.50000 1.0000 + Cd Cd341 1.0 0.78125 0.46875 0.50000 1.0000 + Cd Cd342 1.0 0.81250 0.50000 0.50000 1.0000 + Cd Cd343 1.0 0.84375 0.53125 0.50000 1.0000 + Cd Cd344 1.0 0.87500 0.56250 0.50000 1.0000 + Cd Cd345 1.0 0.90625 0.59375 0.50000 1.0000 + Cd Cd346 1.0 0.93750 0.62500 0.50000 1.0000 + Cd Cd347 1.0 0.96875 0.65625 0.50000 1.0000 + Cd Cd348 1.0 0.00000 0.68750 0.50000 1.0000 + Cd Cd349 1.0 0.03125 0.71875 0.50000 1.0000 + Cd Cd350 1.0 0.06250 0.75000 0.50000 1.0000 + Cd Cd351 1.0 0.09375 0.78125 0.50000 1.0000 + Cd Cd352 1.0 0.12500 0.81250 0.50000 1.0000 + Cd Cd353 1.0 0.68750 0.31250 0.50000 1.0000 + Cd Cd354 1.0 0.71875 0.34375 0.50000 1.0000 + Cd Cd355 1.0 0.75000 0.37500 0.50000 1.0000 + Cd Cd356 1.0 0.78125 0.40625 0.50000 1.0000 + Cd Cd357 1.0 0.81250 0.43750 0.50000 1.0000 + Cd Cd358 1.0 0.84375 0.46875 0.50000 1.0000 + Cd Cd359 1.0 0.87500 0.50000 0.50000 1.0000 + Cd Cd360 1.0 0.90625 0.53125 0.50000 1.0000 + Cd Cd361 1.0 0.93750 0.56250 0.50000 1.0000 + Cd Cd362 1.0 0.96875 0.59375 0.50000 1.0000 + Cd Cd363 1.0 0.00000 0.62500 0.50000 1.0000 + Cd Cd364 1.0 0.03125 0.65625 0.50000 1.0000 + Cd Cd365 1.0 0.06250 0.68750 0.50000 1.0000 + Cd Cd366 1.0 0.09375 0.71875 0.50000 1.0000 + Cd Cd367 1.0 0.12500 0.75000 0.50000 1.0000 + Cd Cd368 1.0 0.15625 0.78125 0.50000 1.0000 + Cd Cd369 1.0 0.71875 0.28125 0.50000 1.0000 + Cd Cd370 1.0 0.75000 0.31250 0.50000 1.0000 + Cd Cd371 1.0 0.78125 0.34375 0.50000 1.0000 + Cd Cd372 1.0 0.81250 0.37500 0.50000 1.0000 + Cd Cd373 1.0 0.84375 0.40625 0.50000 1.0000 + Cd Cd374 1.0 0.87500 0.43750 0.50000 1.0000 + Cd Cd375 1.0 0.90625 0.46875 0.50000 1.0000 + Cd Cd376 1.0 0.93750 0.50000 0.50000 1.0000 + Cd Cd377 1.0 0.96875 0.53125 0.50000 1.0000 + Cd Cd378 1.0 0.00000 0.56250 0.50000 1.0000 + Cd Cd379 1.0 0.03125 0.59375 0.50000 1.0000 + Cd Cd380 1.0 0.06250 0.62500 0.50000 1.0000 + Cd Cd381 1.0 0.09375 0.65625 0.50000 1.0000 + Cd Cd382 1.0 0.12500 0.68750 0.50000 1.0000 + Cd Cd383 1.0 0.15625 0.71875 0.50000 1.0000 + Cd Cd384 1.0 0.18750 0.75000 0.50000 1.0000 + Cd Cd385 1.0 0.75000 0.25000 0.50000 1.0000 + Cd Cd386 1.0 0.78125 0.28125 0.50000 1.0000 + Cd Cd387 1.0 0.81250 0.31250 0.50000 1.0000 + Cd Cd388 1.0 0.84375 0.34375 0.50000 1.0000 + Cd Cd389 1.0 0.87500 0.37500 0.50000 1.0000 + Cd Cd390 1.0 0.90625 0.40625 0.50000 1.0000 + Cd Cd391 1.0 0.93750 0.43750 0.50000 1.0000 + Cd Cd392 1.0 0.96875 0.46875 0.50000 1.0000 + Cd Cd393 1.0 0.00000 0.50000 0.50000 1.0000 + Cd Cd394 1.0 0.03125 0.53125 0.50000 1.0000 + Cd Cd395 1.0 0.06250 0.56250 0.50000 1.0000 + Cd Cd396 1.0 0.09375 0.59375 0.50000 1.0000 + Cd Cd397 1.0 0.12500 0.62500 0.50000 1.0000 + Cd Cd398 1.0 0.15625 0.65625 0.50000 1.0000 + Cd Cd399 1.0 0.18750 0.68750 0.50000 1.0000 + Cd Cd400 1.0 0.21875 0.71875 0.50000 1.0000 + Cd Cd401 1.0 0.78125 0.21875 0.50000 1.0000 + Cd Cd402 1.0 0.81250 0.25000 0.50000 1.0000 + Cd Cd403 1.0 0.84375 0.28125 0.50000 1.0000 + Cd Cd404 1.0 0.87500 0.31250 0.50000 1.0000 + Cd Cd405 1.0 0.90625 0.34375 0.50000 1.0000 + Cd Cd406 1.0 0.93750 0.37500 0.50000 1.0000 + Cd Cd407 1.0 0.96875 0.40625 0.50000 1.0000 + Cd Cd408 1.0 0.00000 0.43750 0.50000 1.0000 + Cd Cd409 1.0 0.03125 0.46875 0.50000 1.0000 + Cd Cd410 1.0 0.06250 0.50000 0.50000 1.0000 + Cd Cd411 1.0 0.09375 0.53125 0.50000 1.0000 + Cd Cd412 1.0 0.12500 0.56250 0.50000 1.0000 + Cd Cd413 1.0 0.15625 0.59375 0.50000 1.0000 + Cd Cd414 1.0 0.18750 0.62500 0.50000 1.0000 + Cd Cd415 1.0 0.21875 0.65625 0.50000 1.0000 + Cd Cd416 1.0 0.25000 0.68750 0.50000 1.0000 + Cd Cd417 1.0 0.81250 0.18750 0.50000 1.0000 + Cd Cd418 1.0 0.84375 0.21875 0.50000 1.0000 + Cd Cd419 1.0 0.87500 0.25000 0.50000 1.0000 + Cd Cd420 1.0 0.90625 0.28125 0.50000 1.0000 + Cd Cd421 1.0 0.93750 0.31250 0.50000 1.0000 + Cd Cd422 1.0 0.96875 0.34375 0.50000 1.0000 + Cd Cd423 1.0 0.00000 0.37500 0.50000 1.0000 + Cd Cd424 1.0 0.03125 0.40625 0.50000 1.0000 + Cd Cd425 1.0 0.06250 0.43750 0.50000 1.0000 + Cd Cd426 1.0 0.09375 0.46875 0.50000 1.0000 + Cd Cd427 1.0 0.12500 0.50000 0.50000 1.0000 + Cd Cd428 1.0 0.15625 0.53125 0.50000 1.0000 + Cd Cd429 1.0 0.18750 0.56250 0.50000 1.0000 + Cd Cd430 1.0 0.21875 0.59375 0.50000 1.0000 + Cd Cd431 1.0 0.25000 0.62500 0.50000 1.0000 + Cd Cd432 1.0 0.28125 0.65625 0.50000 1.0000 + Cd Cd433 1.0 0.84375 0.15625 0.50000 1.0000 + Cd Cd434 1.0 0.87500 0.18750 0.50000 1.0000 + Cd Cd435 1.0 0.90625 0.21875 0.50000 1.0000 + Cd Cd436 1.0 0.93750 0.25000 0.50000 1.0000 + Cd Cd437 1.0 0.96875 0.28125 0.50000 1.0000 + Cd Cd438 1.0 0.00000 0.31250 0.50000 1.0000 + Cd Cd439 1.0 0.03125 0.34375 0.50000 1.0000 + Cd Cd440 1.0 0.06250 0.37500 0.50000 1.0000 + Cd Cd441 1.0 0.09375 0.40625 0.50000 1.0000 + Cd Cd442 1.0 0.12500 0.43750 0.50000 1.0000 + Cd Cd443 1.0 0.15625 0.46875 0.50000 1.0000 + Cd Cd444 1.0 0.18750 0.50000 0.50000 1.0000 + Cd Cd445 1.0 0.21875 0.53125 0.50000 1.0000 + Cd Cd446 1.0 0.25000 0.56250 0.50000 1.0000 + Cd Cd447 1.0 0.28125 0.59375 0.50000 1.0000 + Cd Cd448 1.0 0.31250 0.62500 0.50000 1.0000 + Cd Cd449 1.0 0.87500 0.12500 0.50000 1.0000 + Cd Cd450 1.0 0.90625 0.15625 0.50000 1.0000 + Cd Cd451 1.0 0.93750 0.18750 0.50000 1.0000 + Cd Cd452 1.0 0.96875 0.21875 0.50000 1.0000 + Cd Cd453 1.0 0.00000 0.25000 0.50000 1.0000 + Cd Cd454 1.0 0.03125 0.28125 0.50000 1.0000 + Cd Cd455 1.0 0.06250 0.31250 0.50000 1.0000 + Cd Cd456 1.0 0.09375 0.34375 0.50000 1.0000 + Cd Cd457 1.0 0.12500 0.37500 0.50000 1.0000 + Cd Cd458 1.0 0.15625 0.40625 0.50000 1.0000 + Cd Cd459 1.0 0.18750 0.43750 0.50000 1.0000 + Cd Cd460 1.0 0.21875 0.46875 0.50000 1.0000 + Cd Cd461 1.0 0.25000 0.50000 0.50000 1.0000 + Cd Cd462 1.0 0.28125 0.53125 0.50000 1.0000 + Cd Cd463 1.0 0.31250 0.56250 0.50000 1.0000 + Cd Cd464 1.0 0.34375 0.59375 0.50000 1.0000 + Cd Cd465 1.0 0.90625 0.09375 0.50000 1.0000 + Cd Cd466 1.0 0.93750 0.12500 0.50000 1.0000 + Cd Cd467 1.0 0.96875 0.15625 0.50000 1.0000 + Cd Cd468 1.0 1.00000 0.18750 0.50000 1.0000 + Cd Cd469 1.0 0.03125 0.21875 0.50000 1.0000 + Cd Cd470 1.0 0.06250 0.25000 0.50000 1.0000 + Cd Cd471 1.0 0.09375 0.28125 0.50000 1.0000 + Cd Cd472 1.0 0.12500 0.31250 0.50000 1.0000 + Cd Cd473 1.0 0.15625 0.34375 0.50000 1.0000 + Cd Cd474 1.0 0.18750 0.37500 0.50000 1.0000 + Cd Cd475 1.0 0.21875 0.40625 0.50000 1.0000 + Cd Cd476 1.0 0.25000 0.43750 0.50000 1.0000 + Cd Cd477 1.0 0.28125 0.46875 0.50000 1.0000 + Cd Cd478 1.0 0.31250 0.50000 0.50000 1.0000 + Cd Cd479 1.0 0.34375 0.53125 0.50000 1.0000 + Cd Cd480 1.0 0.37500 0.56250 0.50000 1.0000 + Cd Cd481 1.0 0.93750 0.06250 0.50000 1.0000 + Cd Cd482 1.0 0.96875 0.09375 0.50000 1.0000 + Cd Cd483 1.0 0.00000 0.12500 0.50000 1.0000 + Cd Cd484 1.0 0.03125 0.15625 0.50000 1.0000 + Cd Cd485 1.0 0.06250 0.18750 0.50000 1.0000 + Cd Cd486 1.0 0.09375 0.21875 0.50000 1.0000 + Cd Cd487 1.0 0.12500 0.25000 0.50000 1.0000 + Cd Cd488 1.0 0.15625 0.28125 0.50000 1.0000 + Cd Cd489 1.0 0.18750 0.31250 0.50000 1.0000 + Cd Cd490 1.0 0.21875 0.34375 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+1,1817 @@ +data_image0 +_chemical_formula_structural Se512O1280 +_chemical_formula_sum "Se512 O1280" +_cell_length_a 56.0123 +_cell_length_b 110.497 +_cell_length_c 6.26064 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Se Se1 1.0 0.03074 0.01732 0.39785 1.0000 + Se Se2 1.0 0.03074 0.14232 0.39785 1.0000 + Se Se3 1.0 0.03074 0.26732 0.39785 1.0000 + Se Se4 1.0 0.03074 0.39232 0.39785 1.0000 + Se Se5 1.0 0.03074 0.51732 0.39785 1.0000 + Se Se6 1.0 0.03074 0.64232 0.39785 1.0000 + Se Se7 1.0 0.03074 0.76732 0.39785 1.0000 + Se Se8 1.0 0.03074 0.89232 0.39785 1.0000 + Se Se9 1.0 0.15574 0.01732 0.39785 1.0000 + Se Se10 1.0 0.15574 0.14232 0.39785 1.0000 + Se Se11 1.0 0.15574 0.26732 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0.67230 1.0000 + O O1089 1.0 0.06578 0.08179 0.32770 1.0000 + O O1090 1.0 0.06578 0.20679 0.32770 1.0000 + O O1091 1.0 0.06578 0.33179 0.32770 1.0000 + O O1092 1.0 0.06578 0.45679 0.32770 1.0000 + O O1093 1.0 0.06578 0.58179 0.32770 1.0000 + O O1094 1.0 0.06578 0.70679 0.32770 1.0000 + O O1095 1.0 0.06578 0.83179 0.32770 1.0000 + O O1096 1.0 0.06578 0.95679 0.32770 1.0000 + O O1097 1.0 0.19078 0.08179 0.32770 1.0000 + O O1098 1.0 0.19078 0.20679 0.32770 1.0000 + O O1099 1.0 0.19078 0.33179 0.32770 1.0000 + O O1100 1.0 0.19078 0.45679 0.32770 1.0000 + O O1101 1.0 0.19078 0.58179 0.32770 1.0000 + O O1102 1.0 0.19078 0.70679 0.32770 1.0000 + O O1103 1.0 0.19078 0.83179 0.32770 1.0000 + O O1104 1.0 0.19078 0.95679 0.32770 1.0000 + O O1105 1.0 0.31578 0.08179 0.32770 1.0000 + O O1106 1.0 0.31578 0.20679 0.32770 1.0000 + O O1107 1.0 0.31578 0.33179 0.32770 1.0000 + O O1108 1.0 0.31578 0.45679 0.32770 1.0000 + O O1109 1.0 0.31578 0.58179 0.32770 1.0000 + O O1110 1.0 0.31578 0.70679 0.32770 1.0000 + O O1111 1.0 0.31578 0.83179 0.32770 1.0000 + O O1112 1.0 0.31578 0.95679 0.32770 1.0000 + O O1113 1.0 0.44078 0.08179 0.32770 1.0000 + O O1114 1.0 0.44078 0.20679 0.32770 1.0000 + O O1115 1.0 0.44078 0.33179 0.32770 1.0000 + O O1116 1.0 0.44078 0.45679 0.32770 1.0000 + O O1117 1.0 0.44078 0.58179 0.32770 1.0000 + O O1118 1.0 0.44078 0.70679 0.32770 1.0000 + O O1119 1.0 0.44078 0.83179 0.32770 1.0000 + O O1120 1.0 0.44078 0.95679 0.32770 1.0000 + O O1121 1.0 0.56578 0.08179 0.32770 1.0000 + O O1122 1.0 0.56578 0.20679 0.32770 1.0000 + O O1123 1.0 0.56578 0.33179 0.32770 1.0000 + O O1124 1.0 0.56578 0.45679 0.32770 1.0000 + O O1125 1.0 0.56578 0.58179 0.32770 1.0000 + O O1126 1.0 0.56578 0.70679 0.32770 1.0000 + O O1127 1.0 0.56578 0.83179 0.32770 1.0000 + O O1128 1.0 0.56578 0.95679 0.32770 1.0000 + O O1129 1.0 0.69078 0.08179 0.32770 1.0000 + O O1130 1.0 0.69078 0.20679 0.32770 1.0000 + O O1131 1.0 0.69078 0.33179 0.32770 1.0000 + O O1132 1.0 0.69078 0.45679 0.32770 1.0000 + O O1133 1.0 0.69078 0.58179 0.32770 1.0000 + O O1134 1.0 0.69078 0.70679 0.32770 1.0000 + O O1135 1.0 0.69078 0.83179 0.32770 1.0000 + O O1136 1.0 0.69078 0.95679 0.32770 1.0000 + O O1137 1.0 0.81578 0.08179 0.32770 1.0000 + O O1138 1.0 0.81578 0.20679 0.32770 1.0000 + O O1139 1.0 0.81578 0.33179 0.32770 1.0000 + O O1140 1.0 0.81578 0.45679 0.32770 1.0000 + O O1141 1.0 0.81578 0.58179 0.32770 1.0000 + O O1142 1.0 0.81578 0.70679 0.32770 1.0000 + O O1143 1.0 0.81578 0.83179 0.32770 1.0000 + O O1144 1.0 0.81578 0.95679 0.32770 1.0000 + O O1145 1.0 0.94078 0.08179 0.32770 1.0000 + O O1146 1.0 0.94078 0.20679 0.32770 1.0000 + O O1147 1.0 0.94078 0.33179 0.32770 1.0000 + O O1148 1.0 0.94078 0.45679 0.32770 1.0000 + O O1149 1.0 0.94078 0.58179 0.32770 1.0000 + O O1150 1.0 0.94078 0.70679 0.32770 1.0000 + O O1151 1.0 0.94078 0.83179 0.32770 1.0000 + O O1152 1.0 0.94078 0.95679 0.32770 1.0000 + O O1153 1.0 0.12172 0.01929 0.32770 1.0000 + O O1154 1.0 0.12172 0.14429 0.32770 1.0000 + O O1155 1.0 0.12172 0.26929 0.32770 1.0000 + O O1156 1.0 0.12172 0.39429 0.32770 1.0000 + O O1157 1.0 0.12172 0.51929 0.32770 1.0000 + O O1158 1.0 0.12172 0.64429 0.32770 1.0000 + O O1159 1.0 0.12172 0.76929 0.32770 1.0000 + O O1160 1.0 0.12172 0.89429 0.32770 1.0000 + O O1161 1.0 0.24672 0.01929 0.32770 1.0000 + O O1162 1.0 0.24672 0.14429 0.32770 1.0000 + O O1163 1.0 0.24672 0.26929 0.32770 1.0000 + O O1164 1.0 0.24672 0.39429 0.32770 1.0000 + O O1165 1.0 0.24672 0.51929 0.32770 1.0000 + O O1166 1.0 0.24672 0.64429 0.32770 1.0000 + O O1167 1.0 0.24672 0.76929 0.32770 1.0000 + O O1168 1.0 0.24672 0.89429 0.32770 1.0000 + O O1169 1.0 0.37172 0.01929 0.32770 1.0000 + O O1170 1.0 0.37172 0.14429 0.32770 1.0000 + O O1171 1.0 0.37172 0.26929 0.32770 1.0000 + O O1172 1.0 0.37172 0.39429 0.32770 1.0000 + O O1173 1.0 0.37172 0.51929 0.32770 1.0000 + O O1174 1.0 0.37172 0.64429 0.32770 1.0000 + O O1175 1.0 0.37172 0.76929 0.32770 1.0000 + O O1176 1.0 0.37172 0.89429 0.32770 1.0000 + O O1177 1.0 0.49672 0.01929 0.32770 1.0000 + O O1178 1.0 0.49672 0.14429 0.32770 1.0000 + O O1179 1.0 0.49672 0.26929 0.32770 1.0000 + O O1180 1.0 0.49672 0.39429 0.32770 1.0000 + O O1181 1.0 0.49672 0.51929 0.32770 1.0000 + O O1182 1.0 0.49672 0.64429 0.32770 1.0000 + O O1183 1.0 0.49672 0.76929 0.32770 1.0000 + O O1184 1.0 0.49672 0.89429 0.32770 1.0000 + O O1185 1.0 0.62172 0.01929 0.32770 1.0000 + O O1186 1.0 0.62172 0.14429 0.32770 1.0000 + O O1187 1.0 0.62172 0.26929 0.32770 1.0000 + O O1188 1.0 0.62172 0.39429 0.32770 1.0000 + O O1189 1.0 0.62172 0.51929 0.32770 1.0000 + O O1190 1.0 0.62172 0.64429 0.32770 1.0000 + O O1191 1.0 0.62172 0.76929 0.32770 1.0000 + O O1192 1.0 0.62172 0.89429 0.32770 1.0000 + O O1193 1.0 0.74672 0.01929 0.32770 1.0000 + O O1194 1.0 0.74672 0.14429 0.32770 1.0000 + O O1195 1.0 0.74672 0.26929 0.32770 1.0000 + O O1196 1.0 0.74672 0.39429 0.32770 1.0000 + O O1197 1.0 0.74672 0.51929 0.32770 1.0000 + O O1198 1.0 0.74672 0.64429 0.32770 1.0000 + O O1199 1.0 0.74672 0.76929 0.32770 1.0000 + O O1200 1.0 0.74672 0.89429 0.32770 1.0000 + O O1201 1.0 0.87172 0.01929 0.32770 1.0000 + O O1202 1.0 0.87172 0.14429 0.32770 1.0000 + O O1203 1.0 0.87172 0.26929 0.32770 1.0000 + O O1204 1.0 0.87172 0.39429 0.32770 1.0000 + O O1205 1.0 0.87172 0.51929 0.32770 1.0000 + O O1206 1.0 0.87172 0.64429 0.32770 1.0000 + O O1207 1.0 0.87172 0.76929 0.32770 1.0000 + O O1208 1.0 0.87172 0.89429 0.32770 1.0000 + O O1209 1.0 0.99672 0.01929 0.32770 1.0000 + O O1210 1.0 0.99672 0.14429 0.32770 1.0000 + O O1211 1.0 0.99672 0.26929 0.32770 1.0000 + O O1212 1.0 0.99672 0.39429 0.32770 1.0000 + O O1213 1.0 0.99672 0.51929 0.32770 1.0000 + O O1214 1.0 0.99672 0.64429 0.32770 1.0000 + O O1215 1.0 0.99672 0.76929 0.32770 1.0000 + O O1216 1.0 0.99672 0.89429 0.32770 1.0000 + O O1217 1.0 0.05922 0.04321 0.67230 1.0000 + O O1218 1.0 0.05922 0.16821 0.67230 1.0000 + O O1219 1.0 0.05922 0.29321 0.67230 1.0000 + O O1220 1.0 0.05922 0.41821 0.67230 1.0000 + O O1221 1.0 0.05922 0.54321 0.67230 1.0000 + O O1222 1.0 0.05922 0.66821 0.67230 1.0000 + O O1223 1.0 0.05922 0.79321 0.67230 1.0000 + O O1224 1.0 0.05922 0.91821 0.67230 1.0000 + O O1225 1.0 0.18422 0.04321 0.67230 1.0000 + O O1226 1.0 0.18422 0.16821 0.67230 1.0000 + O O1227 1.0 0.18422 0.29321 0.67230 1.0000 + O O1228 1.0 0.18422 0.41821 0.67230 1.0000 + O O1229 1.0 0.18422 0.54321 0.67230 1.0000 + O O1230 1.0 0.18422 0.66821 0.67230 1.0000 + O O1231 1.0 0.18422 0.79321 0.67230 1.0000 + O O1232 1.0 0.18422 0.91821 0.67230 1.0000 + O O1233 1.0 0.30922 0.04321 0.67230 1.0000 + O O1234 1.0 0.30922 0.16821 0.67230 1.0000 + O O1235 1.0 0.30922 0.29321 0.67230 1.0000 + O O1236 1.0 0.30922 0.41821 0.67230 1.0000 + O O1237 1.0 0.30922 0.54321 0.67230 1.0000 + O O1238 1.0 0.30922 0.66821 0.67230 1.0000 + O O1239 1.0 0.30922 0.79321 0.67230 1.0000 + O O1240 1.0 0.30922 0.91821 0.67230 1.0000 + O O1241 1.0 0.43422 0.04321 0.67230 1.0000 + O O1242 1.0 0.43422 0.16821 0.67230 1.0000 + O O1243 1.0 0.43422 0.29321 0.67230 1.0000 + O O1244 1.0 0.43422 0.41821 0.67230 1.0000 + O O1245 1.0 0.43422 0.54321 0.67230 1.0000 + O O1246 1.0 0.43422 0.66821 0.67230 1.0000 + O O1247 1.0 0.43422 0.79321 0.67230 1.0000 + O O1248 1.0 0.43422 0.91821 0.67230 1.0000 + O O1249 1.0 0.55922 0.04321 0.67230 1.0000 + O O1250 1.0 0.55922 0.16821 0.67230 1.0000 + O O1251 1.0 0.55922 0.29321 0.67230 1.0000 + O O1252 1.0 0.55922 0.41821 0.67230 1.0000 + O O1253 1.0 0.55922 0.54321 0.67230 1.0000 + O O1254 1.0 0.55922 0.66821 0.67230 1.0000 + O O1255 1.0 0.55922 0.79321 0.67230 1.0000 + O O1256 1.0 0.55922 0.91821 0.67230 1.0000 + O O1257 1.0 0.68422 0.04321 0.67230 1.0000 + O O1258 1.0 0.68422 0.16821 0.67230 1.0000 + O O1259 1.0 0.68422 0.29321 0.67230 1.0000 + O O1260 1.0 0.68422 0.41821 0.67230 1.0000 + O O1261 1.0 0.68422 0.54321 0.67230 1.0000 + O O1262 1.0 0.68422 0.66821 0.67230 1.0000 + O O1263 1.0 0.68422 0.79321 0.67230 1.0000 + O O1264 1.0 0.68422 0.91821 0.67230 1.0000 + O O1265 1.0 0.80922 0.04321 0.67230 1.0000 + O O1266 1.0 0.80922 0.16821 0.67230 1.0000 + O O1267 1.0 0.80922 0.29321 0.67230 1.0000 + O O1268 1.0 0.80922 0.41821 0.67230 1.0000 + O O1269 1.0 0.80922 0.54321 0.67230 1.0000 + O O1270 1.0 0.80922 0.66821 0.67230 1.0000 + O O1271 1.0 0.80922 0.79321 0.67230 1.0000 + O O1272 1.0 0.80922 0.91821 0.67230 1.0000 + O O1273 1.0 0.93422 0.04321 0.67230 1.0000 + O O1274 1.0 0.93422 0.16821 0.67230 1.0000 + O O1275 1.0 0.93422 0.29321 0.67230 1.0000 + O O1276 1.0 0.93422 0.41821 0.67230 1.0000 + O O1277 1.0 0.93422 0.54321 0.67230 1.0000 + O O1278 1.0 0.93422 0.66821 0.67230 1.0000 + O O1279 1.0 0.93422 0.79321 0.67230 1.0000 + O O1280 1.0 0.93422 0.91821 0.67230 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-3491_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-3491_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..7cd3035a057c06dbc0f6aefdbcedc2f9997e34bc --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-3491_supercell_12x12x1.cif @@ -0,0 +1,3193 @@ +data_image0 +_chemical_formula_structural Au576Se576O2016 +_chemical_formula_sum "Au576 Se576 O2016" +_cell_length_a 85.531 +_cell_length_b 136.514 +_cell_length_c 6.6898 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Au Au1 1.0 0.01626 0.03654 0.51844 1.0000 + Au Au2 1.0 0.01626 0.11987 0.51844 1.0000 + Au Au3 1.0 0.01626 0.20321 0.51844 1.0000 + Au Au4 1.0 0.01626 0.28654 0.51844 1.0000 + Au Au5 1.0 0.01626 0.36987 0.51844 1.0000 + Au Au6 1.0 0.01626 0.45321 0.51844 1.0000 + Au Au7 1.0 0.01626 0.53654 0.51844 1.0000 + Au Au8 1.0 0.01626 0.61987 0.51844 1.0000 + Au Au9 1.0 0.01626 0.70321 0.51844 1.0000 + Au Au10 1.0 0.01626 0.78654 0.51844 1.0000 + Au Au11 1.0 0.01626 0.86987 0.51844 1.0000 + Au Au12 1.0 0.01626 0.95321 0.51844 1.0000 + Au Au13 1.0 0.09959 0.03654 0.51844 1.0000 + Au Au14 1.0 0.09959 0.11987 0.51844 1.0000 + Au Au15 1.0 0.09959 0.20321 0.51844 1.0000 + Au Au16 1.0 0.09959 0.28654 0.51844 1.0000 + Au Au17 1.0 0.09959 0.36987 0.51844 1.0000 + Au Au18 1.0 0.09959 0.45321 0.51844 1.0000 + Au Au19 1.0 0.09959 0.53654 0.51844 1.0000 + Au Au20 1.0 0.09959 0.61987 0.51844 1.0000 + Au Au21 1.0 0.09959 0.70321 0.51844 1.0000 + Au Au22 1.0 0.09959 0.78654 0.51844 1.0000 + Au Au23 1.0 0.09959 0.86987 0.51844 1.0000 + Au Au24 1.0 0.09959 0.95321 0.51844 1.0000 + Au Au25 1.0 0.18293 0.03654 0.51844 1.0000 + Au Au26 1.0 0.18293 0.11987 0.51844 1.0000 + Au Au27 1.0 0.18293 0.20321 0.51844 1.0000 + Au Au28 1.0 0.18293 0.28654 0.51844 1.0000 + Au Au29 1.0 0.18293 0.36987 0.51844 1.0000 + Au Au30 1.0 0.18293 0.45321 0.51844 1.0000 + Au Au31 1.0 0.18293 0.53654 0.51844 1.0000 + Au Au32 1.0 0.18293 0.61987 0.51844 1.0000 + Au Au33 1.0 0.18293 0.70321 0.51844 1.0000 + Au Au34 1.0 0.18293 0.78654 0.51844 1.0000 + Au Au35 1.0 0.18293 0.86987 0.51844 1.0000 + Au Au36 1.0 0.18293 0.95321 0.51844 1.0000 + Au Au37 1.0 0.26626 0.03654 0.51844 1.0000 + Au Au38 1.0 0.26626 0.11987 0.51844 1.0000 + Au Au39 1.0 0.26626 0.20321 0.51844 1.0000 + Au Au40 1.0 0.26626 0.28654 0.51844 1.0000 + Au Au41 1.0 0.26626 0.36987 0.51844 1.0000 + Au Au42 1.0 0.26626 0.45321 0.51844 1.0000 + Au Au43 1.0 0.26626 0.53654 0.51844 1.0000 + Au Au44 1.0 0.26626 0.61987 0.51844 1.0000 + Au Au45 1.0 0.26626 0.70321 0.51844 1.0000 + Au Au46 1.0 0.26626 0.78654 0.51844 1.0000 + Au Au47 1.0 0.26626 0.86987 0.51844 1.0000 + Au Au48 1.0 0.26626 0.95321 0.51844 1.0000 + Au Au49 1.0 0.34959 0.03654 0.51844 1.0000 + Au Au50 1.0 0.34959 0.11987 0.51844 1.0000 + Au Au51 1.0 0.34959 0.20321 0.51844 1.0000 + Au Au52 1.0 0.34959 0.28654 0.51844 1.0000 + Au Au53 1.0 0.34959 0.36987 0.51844 1.0000 + Au Au54 1.0 0.34959 0.45321 0.51844 1.0000 + Au Au55 1.0 0.34959 0.53654 0.51844 1.0000 + Au Au56 1.0 0.34959 0.61987 0.51844 1.0000 + Au Au57 1.0 0.34959 0.70321 0.51844 1.0000 + Au Au58 1.0 0.34959 0.78654 0.51844 1.0000 + Au Au59 1.0 0.34959 0.86987 0.51844 1.0000 + Au Au60 1.0 0.34959 0.95321 0.51844 1.0000 + Au Au61 1.0 0.43293 0.03654 0.51844 1.0000 + Au Au62 1.0 0.43293 0.11987 0.51844 1.0000 + Au Au63 1.0 0.43293 0.20321 0.51844 1.0000 + Au Au64 1.0 0.43293 0.28654 0.51844 1.0000 + Au Au65 1.0 0.43293 0.36987 0.51844 1.0000 + Au Au66 1.0 0.43293 0.45321 0.51844 1.0000 + Au Au67 1.0 0.43293 0.53654 0.51844 1.0000 + Au Au68 1.0 0.43293 0.61987 0.51844 1.0000 + Au Au69 1.0 0.43293 0.70321 0.51844 1.0000 + Au Au70 1.0 0.43293 0.78654 0.51844 1.0000 + Au Au71 1.0 0.43293 0.86987 0.51844 1.0000 + Au Au72 1.0 0.43293 0.95321 0.51844 1.0000 + Au Au73 1.0 0.51626 0.03654 0.51844 1.0000 + Au Au74 1.0 0.51626 0.11987 0.51844 1.0000 + Au Au75 1.0 0.51626 0.20321 0.51844 1.0000 + Au Au76 1.0 0.51626 0.28654 0.51844 1.0000 + Au Au77 1.0 0.51626 0.36987 0.51844 1.0000 + Au Au78 1.0 0.51626 0.45321 0.51844 1.0000 + Au Au79 1.0 0.51626 0.53654 0.51844 1.0000 + Au Au80 1.0 0.51626 0.61987 0.51844 1.0000 + Au Au81 1.0 0.51626 0.70321 0.51844 1.0000 + Au Au82 1.0 0.51626 0.78654 0.51844 1.0000 + Au Au83 1.0 0.51626 0.86987 0.51844 1.0000 + Au Au84 1.0 0.51626 0.95321 0.51844 1.0000 + Au Au85 1.0 0.59959 0.03654 0.51844 1.0000 + Au Au86 1.0 0.59959 0.11987 0.51844 1.0000 + Au Au87 1.0 0.59959 0.20321 0.51844 1.0000 + Au Au88 1.0 0.59959 0.28654 0.51844 1.0000 + Au Au89 1.0 0.59959 0.36987 0.51844 1.0000 + Au Au90 1.0 0.59959 0.45321 0.51844 1.0000 + Au Au91 1.0 0.59959 0.53654 0.51844 1.0000 + Au Au92 1.0 0.59959 0.61987 0.51844 1.0000 + Au Au93 1.0 0.59959 0.70321 0.51844 1.0000 + Au Au94 1.0 0.59959 0.78654 0.51844 1.0000 + Au Au95 1.0 0.59959 0.86987 0.51844 1.0000 + Au Au96 1.0 0.59959 0.95321 0.51844 1.0000 + Au Au97 1.0 0.68293 0.03654 0.51844 1.0000 + Au Au98 1.0 0.68293 0.11987 0.51844 1.0000 + Au Au99 1.0 0.68293 0.20321 0.51844 1.0000 + Au Au100 1.0 0.68293 0.28654 0.51844 1.0000 + Au Au101 1.0 0.68293 0.36987 0.51844 1.0000 + Au Au102 1.0 0.68293 0.45321 0.51844 1.0000 + Au Au103 1.0 0.68293 0.53654 0.51844 1.0000 + Au Au104 1.0 0.68293 0.61987 0.51844 1.0000 + Au Au105 1.0 0.68293 0.70321 0.51844 1.0000 + Au Au106 1.0 0.68293 0.78654 0.51844 1.0000 + Au Au107 1.0 0.68293 0.86987 0.51844 1.0000 + Au Au108 1.0 0.68293 0.95321 0.51844 1.0000 + Au Au109 1.0 0.76626 0.03654 0.51844 1.0000 + Au Au110 1.0 0.76626 0.11987 0.51844 1.0000 + Au Au111 1.0 0.76626 0.20321 0.51844 1.0000 + Au Au112 1.0 0.76626 0.28654 0.51844 1.0000 + Au Au113 1.0 0.76626 0.36987 0.51844 1.0000 + Au Au114 1.0 0.76626 0.45321 0.51844 1.0000 + Au Au115 1.0 0.76626 0.53654 0.51844 1.0000 + Au Au116 1.0 0.76626 0.61987 0.51844 1.0000 + Au Au117 1.0 0.76626 0.70321 0.51844 1.0000 + Au Au118 1.0 0.76626 0.78654 0.51844 1.0000 + Au Au119 1.0 0.76626 0.86987 0.51844 1.0000 + Au Au120 1.0 0.76626 0.95321 0.51844 1.0000 + Au Au121 1.0 0.84959 0.03654 0.51844 1.0000 + Au Au122 1.0 0.84959 0.11987 0.51844 1.0000 + Au Au123 1.0 0.84959 0.20321 0.51844 1.0000 + Au Au124 1.0 0.84959 0.28654 0.51844 1.0000 + Au Au125 1.0 0.84959 0.36987 0.51844 1.0000 + Au Au126 1.0 0.84959 0.45321 0.51844 1.0000 + Au Au127 1.0 0.84959 0.53654 0.51844 1.0000 + Au Au128 1.0 0.84959 0.61987 0.51844 1.0000 + Au Au129 1.0 0.84959 0.70321 0.51844 1.0000 + Au Au130 1.0 0.84959 0.78654 0.51844 1.0000 + Au Au131 1.0 0.84959 0.86987 0.51844 1.0000 + Au Au132 1.0 0.84959 0.95321 0.51844 1.0000 + Au Au133 1.0 0.93293 0.03654 0.51844 1.0000 + Au Au134 1.0 0.93293 0.11987 0.51844 1.0000 + Au Au135 1.0 0.93293 0.20321 0.51844 1.0000 + Au Au136 1.0 0.93293 0.28654 0.51844 1.0000 + Au Au137 1.0 0.93293 0.36987 0.51844 1.0000 + Au Au138 1.0 0.93293 0.45321 0.51844 1.0000 + Au Au139 1.0 0.93293 0.53654 0.51844 1.0000 + Au Au140 1.0 0.93293 0.61987 0.51844 1.0000 + Au Au141 1.0 0.93293 0.70321 0.51844 1.0000 + Au Au142 1.0 0.93293 0.78654 0.51844 1.0000 + Au Au143 1.0 0.93293 0.86987 0.51844 1.0000 + Au Au144 1.0 0.93293 0.95321 0.51844 1.0000 + Au Au145 1.0 0.06707 0.04679 0.51844 1.0000 + Au Au146 1.0 0.06707 0.13013 0.51844 1.0000 + Au Au147 1.0 0.06707 0.21346 0.51844 1.0000 + Au Au148 1.0 0.06707 0.29679 0.51844 1.0000 + Au Au149 1.0 0.06707 0.38013 0.51844 1.0000 + Au Au150 1.0 0.06707 0.46346 0.51844 1.0000 + Au Au151 1.0 0.06707 0.54679 0.51844 1.0000 + Au Au152 1.0 0.06707 0.63013 0.51844 1.0000 + Au Au153 1.0 0.06707 0.71346 0.51844 1.0000 + Au Au154 1.0 0.06707 0.79679 0.51844 1.0000 + Au Au155 1.0 0.06707 0.88013 0.51844 1.0000 + Au Au156 1.0 0.06707 0.96346 0.51844 1.0000 + Au Au157 1.0 0.15041 0.04679 0.51844 1.0000 + Au Au158 1.0 0.15041 0.13013 0.51844 1.0000 + Au Au159 1.0 0.15041 0.21346 0.51844 1.0000 + Au Au160 1.0 0.15041 0.29679 0.51844 1.0000 + Au Au161 1.0 0.15041 0.38013 0.51844 1.0000 + Au Au162 1.0 0.15041 0.46346 0.51844 1.0000 + Au Au163 1.0 0.15041 0.54679 0.51844 1.0000 + Au Au164 1.0 0.15041 0.63013 0.51844 1.0000 + Au Au165 1.0 0.15041 0.71346 0.51844 1.0000 + Au Au166 1.0 0.15041 0.79679 0.51844 1.0000 + Au Au167 1.0 0.15041 0.88013 0.51844 1.0000 + Au Au168 1.0 0.15041 0.96346 0.51844 1.0000 + Au Au169 1.0 0.23374 0.04679 0.51844 1.0000 + Au Au170 1.0 0.23374 0.13013 0.51844 1.0000 + Au Au171 1.0 0.23374 0.21346 0.51844 1.0000 + Au Au172 1.0 0.23374 0.29679 0.51844 1.0000 + Au Au173 1.0 0.23374 0.38013 0.51844 1.0000 + Au Au174 1.0 0.23374 0.46346 0.51844 1.0000 + Au Au175 1.0 0.23374 0.54679 0.51844 1.0000 + Au Au176 1.0 0.23374 0.63013 0.51844 1.0000 + Au Au177 1.0 0.23374 0.71346 0.51844 1.0000 + Au Au178 1.0 0.23374 0.79679 0.51844 1.0000 + Au Au179 1.0 0.23374 0.88013 0.51844 1.0000 + Au Au180 1.0 0.23374 0.96346 0.51844 1.0000 + Au Au181 1.0 0.31707 0.04679 0.51844 1.0000 + Au Au182 1.0 0.31707 0.13013 0.51844 1.0000 + Au Au183 1.0 0.31707 0.21346 0.51844 1.0000 + Au Au184 1.0 0.31707 0.29679 0.51844 1.0000 + Au Au185 1.0 0.31707 0.38013 0.51844 1.0000 + Au Au186 1.0 0.31707 0.46346 0.51844 1.0000 + Au Au187 1.0 0.31707 0.54679 0.51844 1.0000 + Au Au188 1.0 0.31707 0.63013 0.51844 1.0000 + Au Au189 1.0 0.31707 0.71346 0.51844 1.0000 + Au Au190 1.0 0.31707 0.79679 0.51844 1.0000 + Au Au191 1.0 0.31707 0.88013 0.51844 1.0000 + Au Au192 1.0 0.31707 0.96346 0.51844 1.0000 + Au Au193 1.0 0.40041 0.04679 0.51844 1.0000 + Au Au194 1.0 0.40041 0.13013 0.51844 1.0000 + Au Au195 1.0 0.40041 0.21346 0.51844 1.0000 + Au Au196 1.0 0.40041 0.29679 0.51844 1.0000 + Au Au197 1.0 0.40041 0.38013 0.51844 1.0000 + Au Au198 1.0 0.40041 0.46346 0.51844 1.0000 + Au Au199 1.0 0.40041 0.54679 0.51844 1.0000 + Au Au200 1.0 0.40041 0.63013 0.51844 1.0000 + Au Au201 1.0 0.40041 0.71346 0.51844 1.0000 + Au Au202 1.0 0.40041 0.79679 0.51844 1.0000 + Au Au203 1.0 0.40041 0.88013 0.51844 1.0000 + Au Au204 1.0 0.40041 0.96346 0.51844 1.0000 + Au Au205 1.0 0.48374 0.04679 0.51844 1.0000 + Au Au206 1.0 0.48374 0.13013 0.51844 1.0000 + Au Au207 1.0 0.48374 0.21346 0.51844 1.0000 + Au Au208 1.0 0.48374 0.29679 0.51844 1.0000 + Au Au209 1.0 0.48374 0.38013 0.51844 1.0000 + Au Au210 1.0 0.48374 0.46346 0.51844 1.0000 + Au Au211 1.0 0.48374 0.54679 0.51844 1.0000 + Au Au212 1.0 0.48374 0.63013 0.51844 1.0000 + Au Au213 1.0 0.48374 0.71346 0.51844 1.0000 + Au Au214 1.0 0.48374 0.79679 0.51844 1.0000 + Au Au215 1.0 0.48374 0.88013 0.51844 1.0000 + Au Au216 1.0 0.48374 0.96346 0.51844 1.0000 + Au Au217 1.0 0.56707 0.04679 0.51844 1.0000 + Au Au218 1.0 0.56707 0.13013 0.51844 1.0000 + Au Au219 1.0 0.56707 0.21346 0.51844 1.0000 + Au Au220 1.0 0.56707 0.29679 0.51844 1.0000 + Au Au221 1.0 0.56707 0.38013 0.51844 1.0000 + Au Au222 1.0 0.56707 0.46346 0.51844 1.0000 + Au Au223 1.0 0.56707 0.54679 0.51844 1.0000 + Au Au224 1.0 0.56707 0.63013 0.51844 1.0000 + Au Au225 1.0 0.56707 0.71346 0.51844 1.0000 + Au Au226 1.0 0.56707 0.79679 0.51844 1.0000 + Au Au227 1.0 0.56707 0.88013 0.51844 1.0000 + Au Au228 1.0 0.56707 0.96346 0.51844 1.0000 + Au Au229 1.0 0.65041 0.04679 0.51844 1.0000 + Au Au230 1.0 0.65041 0.13013 0.51844 1.0000 + Au Au231 1.0 0.65041 0.21346 0.51844 1.0000 + Au Au232 1.0 0.65041 0.29679 0.51844 1.0000 + Au Au233 1.0 0.65041 0.38013 0.51844 1.0000 + Au Au234 1.0 0.65041 0.46346 0.51844 1.0000 + Au Au235 1.0 0.65041 0.54679 0.51844 1.0000 + Au Au236 1.0 0.65041 0.63013 0.51844 1.0000 + Au Au237 1.0 0.65041 0.71346 0.51844 1.0000 + Au Au238 1.0 0.65041 0.79679 0.51844 1.0000 + Au Au239 1.0 0.65041 0.88013 0.51844 1.0000 + Au Au240 1.0 0.65041 0.96346 0.51844 1.0000 + Au Au241 1.0 0.73374 0.04679 0.51844 1.0000 + Au Au242 1.0 0.73374 0.13013 0.51844 1.0000 + Au Au243 1.0 0.73374 0.21346 0.51844 1.0000 + Au Au244 1.0 0.73374 0.29679 0.51844 1.0000 + Au Au245 1.0 0.73374 0.38013 0.51844 1.0000 + Au Au246 1.0 0.73374 0.46346 0.51844 1.0000 + Au Au247 1.0 0.73374 0.54679 0.51844 1.0000 + Au Au248 1.0 0.73374 0.63013 0.51844 1.0000 + Au Au249 1.0 0.73374 0.71346 0.51844 1.0000 + Au Au250 1.0 0.73374 0.79679 0.51844 1.0000 + Au Au251 1.0 0.73374 0.88013 0.51844 1.0000 + Au Au252 1.0 0.73374 0.96346 0.51844 1.0000 + Au Au253 1.0 0.81707 0.04679 0.51844 1.0000 + Au Au254 1.0 0.81707 0.13013 0.51844 1.0000 + Au Au255 1.0 0.81707 0.21346 0.51844 1.0000 + Au Au256 1.0 0.81707 0.29679 0.51844 1.0000 + Au Au257 1.0 0.81707 0.38013 0.51844 1.0000 + Au Au258 1.0 0.81707 0.46346 0.51844 1.0000 + Au Au259 1.0 0.81707 0.54679 0.51844 1.0000 + Au Au260 1.0 0.81707 0.63013 0.51844 1.0000 + Au Au261 1.0 0.81707 0.71346 0.51844 1.0000 + Au Au262 1.0 0.81707 0.79679 0.51844 1.0000 + Au Au263 1.0 0.81707 0.88013 0.51844 1.0000 + Au Au264 1.0 0.81707 0.96346 0.51844 1.0000 + Au Au265 1.0 0.90041 0.04679 0.51844 1.0000 + Au Au266 1.0 0.90041 0.13013 0.51844 1.0000 + Au Au267 1.0 0.90041 0.21346 0.51844 1.0000 + Au Au268 1.0 0.90041 0.29679 0.51844 1.0000 + Au Au269 1.0 0.90041 0.38013 0.51844 1.0000 + Au Au270 1.0 0.90041 0.46346 0.51844 1.0000 + Au Au271 1.0 0.90041 0.54679 0.51844 1.0000 + Au Au272 1.0 0.90041 0.63013 0.51844 1.0000 + Au Au273 1.0 0.90041 0.71346 0.51844 1.0000 + Au Au274 1.0 0.90041 0.79679 0.51844 1.0000 + Au Au275 1.0 0.90041 0.88013 0.51844 1.0000 + Au Au276 1.0 0.90041 0.96346 0.51844 1.0000 + Au Au277 1.0 0.98374 0.04679 0.51844 1.0000 + Au Au278 1.0 0.98374 0.13013 0.51844 1.0000 + Au Au279 1.0 0.98374 0.21346 0.51844 1.0000 + Au Au280 1.0 0.98374 0.29679 0.51844 1.0000 + Au Au281 1.0 0.98374 0.38013 0.51844 1.0000 + Au Au282 1.0 0.98374 0.46346 0.51844 1.0000 + Au Au283 1.0 0.98374 0.54679 0.51844 1.0000 + Au Au284 1.0 0.98374 0.63013 0.51844 1.0000 + Au Au285 1.0 0.98374 0.71346 0.51844 1.0000 + Au Au286 1.0 0.98374 0.79679 0.51844 1.0000 + Au Au287 1.0 0.98374 0.88013 0.51844 1.0000 + Au Au288 1.0 0.98374 0.96346 0.51844 1.0000 + Au Au289 1.0 0.02541 0.07821 0.51844 1.0000 + Au Au290 1.0 0.02541 0.16154 0.51844 1.0000 + Au Au291 1.0 0.02541 0.24487 0.51844 1.0000 + Au Au292 1.0 0.02541 0.32821 0.51844 1.0000 + Au Au293 1.0 0.02541 0.41154 0.51844 1.0000 + Au Au294 1.0 0.02541 0.49487 0.51844 1.0000 + Au Au295 1.0 0.02541 0.57821 0.51844 1.0000 + Au Au296 1.0 0.02541 0.66154 0.51844 1.0000 + Au Au297 1.0 0.02541 0.74487 0.51844 1.0000 + Au Au298 1.0 0.02541 0.82821 0.51844 1.0000 + Au Au299 1.0 0.02541 0.91154 0.51844 1.0000 + Au Au300 1.0 0.02541 0.99487 0.51844 1.0000 + Au Au301 1.0 0.10874 0.07821 0.51844 1.0000 + Au Au302 1.0 0.10874 0.16154 0.51844 1.0000 + Au Au303 1.0 0.10874 0.24487 0.51844 1.0000 + Au Au304 1.0 0.10874 0.32821 0.51844 1.0000 + Au Au305 1.0 0.10874 0.41154 0.51844 1.0000 + Au Au306 1.0 0.10874 0.49487 0.51844 1.0000 + Au Au307 1.0 0.10874 0.57821 0.51844 1.0000 + Au Au308 1.0 0.10874 0.66154 0.51844 1.0000 + Au Au309 1.0 0.10874 0.74487 0.51844 1.0000 + Au Au310 1.0 0.10874 0.82821 0.51844 1.0000 + Au Au311 1.0 0.10874 0.91154 0.51844 1.0000 + Au Au312 1.0 0.10874 0.99487 0.51844 1.0000 + Au Au313 1.0 0.19207 0.07821 0.51844 1.0000 + Au Au314 1.0 0.19207 0.16154 0.51844 1.0000 + Au Au315 1.0 0.19207 0.24487 0.51844 1.0000 + Au Au316 1.0 0.19207 0.32821 0.51844 1.0000 + Au Au317 1.0 0.19207 0.41154 0.51844 1.0000 + Au Au318 1.0 0.19207 0.49487 0.51844 1.0000 + Au Au319 1.0 0.19207 0.57821 0.51844 1.0000 + Au Au320 1.0 0.19207 0.66154 0.51844 1.0000 + Au Au321 1.0 0.19207 0.74487 0.51844 1.0000 + Au Au322 1.0 0.19207 0.82821 0.51844 1.0000 + Au Au323 1.0 0.19207 0.91154 0.51844 1.0000 + Au Au324 1.0 0.19207 0.99487 0.51844 1.0000 + Au Au325 1.0 0.27541 0.07821 0.51844 1.0000 + Au Au326 1.0 0.27541 0.16154 0.51844 1.0000 + Au Au327 1.0 0.27541 0.24487 0.51844 1.0000 + Au Au328 1.0 0.27541 0.32821 0.51844 1.0000 + Au Au329 1.0 0.27541 0.41154 0.51844 1.0000 + Au Au330 1.0 0.27541 0.49487 0.51844 1.0000 + Au Au331 1.0 0.27541 0.57821 0.51844 1.0000 + Au Au332 1.0 0.27541 0.66154 0.51844 1.0000 + Au Au333 1.0 0.27541 0.74487 0.51844 1.0000 + Au Au334 1.0 0.27541 0.82821 0.51844 1.0000 + Au Au335 1.0 0.27541 0.91154 0.51844 1.0000 + Au Au336 1.0 0.27541 0.99487 0.51844 1.0000 + Au Au337 1.0 0.35874 0.07821 0.51844 1.0000 + Au Au338 1.0 0.35874 0.16154 0.51844 1.0000 + Au Au339 1.0 0.35874 0.24487 0.51844 1.0000 + Au Au340 1.0 0.35874 0.32821 0.51844 1.0000 + Au Au341 1.0 0.35874 0.41154 0.51844 1.0000 + Au Au342 1.0 0.35874 0.49487 0.51844 1.0000 + Au Au343 1.0 0.35874 0.57821 0.51844 1.0000 + Au Au344 1.0 0.35874 0.66154 0.51844 1.0000 + Au Au345 1.0 0.35874 0.74487 0.51844 1.0000 + Au Au346 1.0 0.35874 0.82821 0.51844 1.0000 + Au Au347 1.0 0.35874 0.91154 0.51844 1.0000 + Au Au348 1.0 0.35874 0.99487 0.51844 1.0000 + Au Au349 1.0 0.44207 0.07821 0.51844 1.0000 + Au Au350 1.0 0.44207 0.16154 0.51844 1.0000 + Au Au351 1.0 0.44207 0.24487 0.51844 1.0000 + Au Au352 1.0 0.44207 0.32821 0.51844 1.0000 + Au Au353 1.0 0.44207 0.41154 0.51844 1.0000 + Au Au354 1.0 0.44207 0.49487 0.51844 1.0000 + Au Au355 1.0 0.44207 0.57821 0.51844 1.0000 + Au Au356 1.0 0.44207 0.66154 0.51844 1.0000 + Au Au357 1.0 0.44207 0.74487 0.51844 1.0000 + Au Au358 1.0 0.44207 0.82821 0.51844 1.0000 + Au Au359 1.0 0.44207 0.91154 0.51844 1.0000 + Au Au360 1.0 0.44207 0.99487 0.51844 1.0000 + Au Au361 1.0 0.52541 0.07821 0.51844 1.0000 + Au Au362 1.0 0.52541 0.16154 0.51844 1.0000 + Au Au363 1.0 0.52541 0.24487 0.51844 1.0000 + Au Au364 1.0 0.52541 0.32821 0.51844 1.0000 + Au Au365 1.0 0.52541 0.41154 0.51844 1.0000 + Au Au366 1.0 0.52541 0.49487 0.51844 1.0000 + Au Au367 1.0 0.52541 0.57821 0.51844 1.0000 + Au Au368 1.0 0.52541 0.66154 0.51844 1.0000 + Au Au369 1.0 0.52541 0.74487 0.51844 1.0000 + Au Au370 1.0 0.52541 0.82821 0.51844 1.0000 + Au Au371 1.0 0.52541 0.91154 0.51844 1.0000 + Au Au372 1.0 0.52541 0.99487 0.51844 1.0000 + Au Au373 1.0 0.60874 0.07821 0.51844 1.0000 + Au Au374 1.0 0.60874 0.16154 0.51844 1.0000 + Au Au375 1.0 0.60874 0.24487 0.51844 1.0000 + Au Au376 1.0 0.60874 0.32821 0.51844 1.0000 + Au Au377 1.0 0.60874 0.41154 0.51844 1.0000 + Au Au378 1.0 0.60874 0.49487 0.51844 1.0000 + Au Au379 1.0 0.60874 0.57821 0.51844 1.0000 + Au Au380 1.0 0.60874 0.66154 0.51844 1.0000 + Au Au381 1.0 0.60874 0.74487 0.51844 1.0000 + Au Au382 1.0 0.60874 0.82821 0.51844 1.0000 + Au Au383 1.0 0.60874 0.91154 0.51844 1.0000 + Au Au384 1.0 0.60874 0.99487 0.51844 1.0000 + Au Au385 1.0 0.69207 0.07821 0.51844 1.0000 + Au Au386 1.0 0.69207 0.16154 0.51844 1.0000 + Au Au387 1.0 0.69207 0.24487 0.51844 1.0000 + Au Au388 1.0 0.69207 0.32821 0.51844 1.0000 + Au Au389 1.0 0.69207 0.41154 0.51844 1.0000 + Au Au390 1.0 0.69207 0.49487 0.51844 1.0000 + Au Au391 1.0 0.69207 0.57821 0.51844 1.0000 + Au Au392 1.0 0.69207 0.66154 0.51844 1.0000 + Au Au393 1.0 0.69207 0.74487 0.51844 1.0000 + Au Au394 1.0 0.69207 0.82821 0.51844 1.0000 + Au Au395 1.0 0.69207 0.91154 0.51844 1.0000 + Au Au396 1.0 0.69207 0.99487 0.51844 1.0000 + Au Au397 1.0 0.77541 0.07821 0.51844 1.0000 + Au Au398 1.0 0.77541 0.16154 0.51844 1.0000 + Au Au399 1.0 0.77541 0.24487 0.51844 1.0000 + Au Au400 1.0 0.77541 0.32821 0.51844 1.0000 + Au Au401 1.0 0.77541 0.41154 0.51844 1.0000 + Au Au402 1.0 0.77541 0.49487 0.51844 1.0000 + Au Au403 1.0 0.77541 0.57821 0.51844 1.0000 + Au Au404 1.0 0.77541 0.66154 0.51844 1.0000 + Au Au405 1.0 0.77541 0.74487 0.51844 1.0000 + Au Au406 1.0 0.77541 0.82821 0.51844 1.0000 + Au Au407 1.0 0.77541 0.91154 0.51844 1.0000 + Au Au408 1.0 0.77541 0.99487 0.51844 1.0000 + Au Au409 1.0 0.85874 0.07821 0.51844 1.0000 + Au Au410 1.0 0.85874 0.16154 0.51844 1.0000 + Au Au411 1.0 0.85874 0.24487 0.51844 1.0000 + Au Au412 1.0 0.85874 0.32821 0.51844 1.0000 + Au Au413 1.0 0.85874 0.41154 0.51844 1.0000 + Au Au414 1.0 0.85874 0.49487 0.51844 1.0000 + Au Au415 1.0 0.85874 0.57821 0.51844 1.0000 + Au Au416 1.0 0.85874 0.66154 0.51844 1.0000 + Au Au417 1.0 0.85874 0.74487 0.51844 1.0000 + Au Au418 1.0 0.85874 0.82821 0.51844 1.0000 + Au Au419 1.0 0.85874 0.91154 0.51844 1.0000 + Au Au420 1.0 0.85874 0.99487 0.51844 1.0000 + Au Au421 1.0 0.94207 0.07821 0.51844 1.0000 + Au Au422 1.0 0.94207 0.16154 0.51844 1.0000 + Au Au423 1.0 0.94207 0.24487 0.51844 1.0000 + Au Au424 1.0 0.94207 0.32821 0.51844 1.0000 + Au Au425 1.0 0.94207 0.41154 0.51844 1.0000 + Au Au426 1.0 0.94207 0.49487 0.51844 1.0000 + Au Au427 1.0 0.94207 0.57821 0.51844 1.0000 + Au Au428 1.0 0.94207 0.66154 0.51844 1.0000 + Au Au429 1.0 0.94207 0.74487 0.51844 1.0000 + Au Au430 1.0 0.94207 0.82821 0.51844 1.0000 + Au Au431 1.0 0.94207 0.91154 0.51844 1.0000 + Au Au432 1.0 0.94207 0.99487 0.51844 1.0000 + Au Au433 1.0 0.05793 0.00513 0.51844 1.0000 + Au Au434 1.0 0.05793 0.08846 0.51844 1.0000 + Au Au435 1.0 0.05793 0.17179 0.51844 1.0000 + Au Au436 1.0 0.05793 0.25513 0.51844 1.0000 + Au Au437 1.0 0.05793 0.33846 0.51844 1.0000 + Au Au438 1.0 0.05793 0.42179 0.51844 1.0000 + Au Au439 1.0 0.05793 0.50513 0.51844 1.0000 + Au Au440 1.0 0.05793 0.58846 0.51844 1.0000 + Au Au441 1.0 0.05793 0.67179 0.51844 1.0000 + Au Au442 1.0 0.05793 0.75513 0.51844 1.0000 + Au Au443 1.0 0.05793 0.83846 0.51844 1.0000 + Au Au444 1.0 0.05793 0.92179 0.51844 1.0000 + Au Au445 1.0 0.14126 0.00513 0.51844 1.0000 + Au Au446 1.0 0.14126 0.08846 0.51844 1.0000 + Au Au447 1.0 0.14126 0.17179 0.51844 1.0000 + Au Au448 1.0 0.14126 0.25513 0.51844 1.0000 + Au Au449 1.0 0.14126 0.33846 0.51844 1.0000 + Au Au450 1.0 0.14126 0.42179 0.51844 1.0000 + Au Au451 1.0 0.14126 0.50513 0.51844 1.0000 + Au Au452 1.0 0.14126 0.58846 0.51844 1.0000 + Au Au453 1.0 0.14126 0.67179 0.51844 1.0000 + Au Au454 1.0 0.14126 0.75513 0.51844 1.0000 + Au Au455 1.0 0.14126 0.83846 0.51844 1.0000 + Au Au456 1.0 0.14126 0.92179 0.51844 1.0000 + Au Au457 1.0 0.22459 0.00513 0.51844 1.0000 + Au Au458 1.0 0.22459 0.08846 0.51844 1.0000 + Au Au459 1.0 0.22459 0.17179 0.51844 1.0000 + Au Au460 1.0 0.22459 0.25513 0.51844 1.0000 + Au Au461 1.0 0.22459 0.33846 0.51844 1.0000 + Au Au462 1.0 0.22459 0.42179 0.51844 1.0000 + Au Au463 1.0 0.22459 0.50513 0.51844 1.0000 + Au Au464 1.0 0.22459 0.58846 0.51844 1.0000 + Au Au465 1.0 0.22459 0.67179 0.51844 1.0000 + Au Au466 1.0 0.22459 0.75513 0.51844 1.0000 + Au Au467 1.0 0.22459 0.83846 0.51844 1.0000 + Au Au468 1.0 0.22459 0.92179 0.51844 1.0000 + Au Au469 1.0 0.30793 0.00513 0.51844 1.0000 + Au Au470 1.0 0.30793 0.08846 0.51844 1.0000 + Au Au471 1.0 0.30793 0.17179 0.51844 1.0000 + Au Au472 1.0 0.30793 0.25513 0.51844 1.0000 + Au Au473 1.0 0.30793 0.33846 0.51844 1.0000 + Au Au474 1.0 0.30793 0.42179 0.51844 1.0000 + Au Au475 1.0 0.30793 0.50513 0.51844 1.0000 + Au Au476 1.0 0.30793 0.58846 0.51844 1.0000 + Au Au477 1.0 0.30793 0.67179 0.51844 1.0000 + Au Au478 1.0 0.30793 0.75513 0.51844 1.0000 + Au Au479 1.0 0.30793 0.83846 0.51844 1.0000 + Au Au480 1.0 0.30793 0.92179 0.51844 1.0000 + Au Au481 1.0 0.39126 0.00513 0.51844 1.0000 + Au Au482 1.0 0.39126 0.08846 0.51844 1.0000 + Au Au483 1.0 0.39126 0.17179 0.51844 1.0000 + Au Au484 1.0 0.39126 0.25513 0.51844 1.0000 + Au Au485 1.0 0.39126 0.33846 0.51844 1.0000 + Au Au486 1.0 0.39126 0.42179 0.51844 1.0000 + Au Au487 1.0 0.39126 0.50513 0.51844 1.0000 + Au Au488 1.0 0.39126 0.58846 0.51844 1.0000 + Au Au489 1.0 0.39126 0.67179 0.51844 1.0000 + Au Au490 1.0 0.39126 0.75513 0.51844 1.0000 + Au Au491 1.0 0.39126 0.83846 0.51844 1.0000 + Au Au492 1.0 0.39126 0.92179 0.51844 1.0000 + Au Au493 1.0 0.47459 0.00513 0.51844 1.0000 + Au Au494 1.0 0.47459 0.08846 0.51844 1.0000 + Au Au495 1.0 0.47459 0.17179 0.51844 1.0000 + Au Au496 1.0 0.47459 0.25513 0.51844 1.0000 + Au Au497 1.0 0.47459 0.33846 0.51844 1.0000 + Au Au498 1.0 0.47459 0.42179 0.51844 1.0000 + Au Au499 1.0 0.47459 0.50513 0.51844 1.0000 + Au Au500 1.0 0.47459 0.58846 0.51844 1.0000 + Au Au501 1.0 0.47459 0.67179 0.51844 1.0000 + Au Au502 1.0 0.47459 0.75513 0.51844 1.0000 + Au Au503 1.0 0.47459 0.83846 0.51844 1.0000 + Au Au504 1.0 0.47459 0.92179 0.51844 1.0000 + Au Au505 1.0 0.55793 0.00513 0.51844 1.0000 + Au Au506 1.0 0.55793 0.08846 0.51844 1.0000 + Au Au507 1.0 0.55793 0.17179 0.51844 1.0000 + Au Au508 1.0 0.55793 0.25513 0.51844 1.0000 + Au Au509 1.0 0.55793 0.33846 0.51844 1.0000 + Au Au510 1.0 0.55793 0.42179 0.51844 1.0000 + Au Au511 1.0 0.55793 0.50513 0.51844 1.0000 + Au Au512 1.0 0.55793 0.58846 0.51844 1.0000 + Au Au513 1.0 0.55793 0.67179 0.51844 1.0000 + Au Au514 1.0 0.55793 0.75513 0.51844 1.0000 + Au Au515 1.0 0.55793 0.83846 0.51844 1.0000 + Au Au516 1.0 0.55793 0.92179 0.51844 1.0000 + Au Au517 1.0 0.64126 0.00513 0.51844 1.0000 + Au Au518 1.0 0.64126 0.08846 0.51844 1.0000 + Au Au519 1.0 0.64126 0.17179 0.51844 1.0000 + Au Au520 1.0 0.64126 0.25513 0.51844 1.0000 + Au Au521 1.0 0.64126 0.33846 0.51844 1.0000 + Au Au522 1.0 0.64126 0.42179 0.51844 1.0000 + Au Au523 1.0 0.64126 0.50513 0.51844 1.0000 + Au Au524 1.0 0.64126 0.58846 0.51844 1.0000 + Au Au525 1.0 0.64126 0.67179 0.51844 1.0000 + Au Au526 1.0 0.64126 0.75513 0.51844 1.0000 + Au Au527 1.0 0.64126 0.83846 0.51844 1.0000 + Au Au528 1.0 0.64126 0.92179 0.51844 1.0000 + Au Au529 1.0 0.72459 0.00513 0.51844 1.0000 + Au Au530 1.0 0.72459 0.08846 0.51844 1.0000 + Au Au531 1.0 0.72459 0.17179 0.51844 1.0000 + Au Au532 1.0 0.72459 0.25513 0.51844 1.0000 + Au Au533 1.0 0.72459 0.33846 0.51844 1.0000 + Au Au534 1.0 0.72459 0.42179 0.51844 1.0000 + Au Au535 1.0 0.72459 0.50513 0.51844 1.0000 + Au Au536 1.0 0.72459 0.58846 0.51844 1.0000 + Au Au537 1.0 0.72459 0.67179 0.51844 1.0000 + Au Au538 1.0 0.72459 0.75513 0.51844 1.0000 + Au Au539 1.0 0.72459 0.83846 0.51844 1.0000 + Au Au540 1.0 0.72459 0.92179 0.51844 1.0000 + Au Au541 1.0 0.80793 0.00513 0.51844 1.0000 + Au Au542 1.0 0.80793 0.08846 0.51844 1.0000 + Au Au543 1.0 0.80793 0.17179 0.51844 1.0000 + Au Au544 1.0 0.80793 0.25513 0.51844 1.0000 + Au Au545 1.0 0.80793 0.33846 0.51844 1.0000 + Au Au546 1.0 0.80793 0.42179 0.51844 1.0000 + Au Au547 1.0 0.80793 0.50513 0.51844 1.0000 + Au Au548 1.0 0.80793 0.58846 0.51844 1.0000 + Au Au549 1.0 0.80793 0.67179 0.51844 1.0000 + Au Au550 1.0 0.80793 0.75513 0.51844 1.0000 + Au Au551 1.0 0.80793 0.83846 0.51844 1.0000 + Au Au552 1.0 0.80793 0.92179 0.51844 1.0000 + Au Au553 1.0 0.89126 0.00513 0.51844 1.0000 + Au Au554 1.0 0.89126 0.08846 0.51844 1.0000 + Au Au555 1.0 0.89126 0.17179 0.51844 1.0000 + Au Au556 1.0 0.89126 0.25513 0.51844 1.0000 + Au Au557 1.0 0.89126 0.33846 0.51844 1.0000 + Au Au558 1.0 0.89126 0.42179 0.51844 1.0000 + Au Au559 1.0 0.89126 0.50513 0.51844 1.0000 + Au Au560 1.0 0.89126 0.58846 0.51844 1.0000 + Au Au561 1.0 0.89126 0.67179 0.51844 1.0000 + Au Au562 1.0 0.89126 0.75513 0.51844 1.0000 + Au Au563 1.0 0.89126 0.83846 0.51844 1.0000 + Au Au564 1.0 0.89126 0.92179 0.51844 1.0000 + Au Au565 1.0 0.97459 0.00513 0.51844 1.0000 + Au Au566 1.0 0.97459 0.08846 0.51844 1.0000 + Au Au567 1.0 0.97459 0.17179 0.51844 1.0000 + Au Au568 1.0 0.97459 0.25513 0.51844 1.0000 + Au Au569 1.0 0.97459 0.33846 0.51844 1.0000 + Au Au570 1.0 0.97459 0.42179 0.51844 1.0000 + Au Au571 1.0 0.97459 0.50513 0.51844 1.0000 + Au Au572 1.0 0.97459 0.58846 0.51844 1.0000 + Au Au573 1.0 0.97459 0.67179 0.51844 1.0000 + Au Au574 1.0 0.97459 0.75513 0.51844 1.0000 + Au Au575 1.0 0.97459 0.83846 0.51844 1.0000 + Au Au576 1.0 0.97459 0.92179 0.51844 1.0000 + Se Se1 1.0 0.00875 0.01407 0.35955 1.0000 + Se Se2 1.0 0.00875 0.09741 0.35955 1.0000 + Se Se3 1.0 0.00875 0.18074 0.35955 1.0000 + Se Se4 1.0 0.00875 0.26407 0.35955 1.0000 + Se Se5 1.0 0.00875 0.34741 0.35955 1.0000 + Se Se6 1.0 0.00875 0.43074 0.35955 1.0000 + Se Se7 1.0 0.00875 0.51407 0.35955 1.0000 + Se Se8 1.0 0.00875 0.59741 0.35955 1.0000 + Se Se9 1.0 0.00875 0.68074 0.35955 1.0000 + Se Se10 1.0 0.00875 0.76407 0.35955 1.0000 + Se Se11 1.0 0.00875 0.84741 0.35955 1.0000 + Se Se12 1.0 0.00875 0.93074 0.35955 1.0000 + Se Se13 1.0 0.09208 0.01407 0.35955 1.0000 + Se Se14 1.0 0.09208 0.09741 0.35955 1.0000 + Se Se15 1.0 0.09208 0.18074 0.35955 1.0000 + Se Se16 1.0 0.09208 0.26407 0.35955 1.0000 + Se Se17 1.0 0.09208 0.34741 0.35955 1.0000 + Se Se18 1.0 0.09208 0.43074 0.35955 1.0000 + Se Se19 1.0 0.09208 0.51407 0.35955 1.0000 + Se Se20 1.0 0.09208 0.59741 0.35955 1.0000 + Se Se21 1.0 0.09208 0.68074 0.35955 1.0000 + Se Se22 1.0 0.09208 0.76407 0.35955 1.0000 + Se Se23 1.0 0.09208 0.84741 0.35955 1.0000 + Se Se24 1.0 0.09208 0.93074 0.35955 1.0000 + Se Se25 1.0 0.17541 0.01407 0.35955 1.0000 + Se Se26 1.0 0.17541 0.09741 0.35955 1.0000 + Se Se27 1.0 0.17541 0.18074 0.35955 1.0000 + Se Se28 1.0 0.17541 0.26407 0.35955 1.0000 + Se Se29 1.0 0.17541 0.34741 0.35955 1.0000 + Se Se30 1.0 0.17541 0.43074 0.35955 1.0000 + Se Se31 1.0 0.17541 0.51407 0.35955 1.0000 + Se Se32 1.0 0.17541 0.59741 0.35955 1.0000 + Se Se33 1.0 0.17541 0.68074 0.35955 1.0000 + Se Se34 1.0 0.17541 0.76407 0.35955 1.0000 + Se Se35 1.0 0.17541 0.84741 0.35955 1.0000 + Se Se36 1.0 0.17541 0.93074 0.35955 1.0000 + Se Se37 1.0 0.25875 0.01407 0.35955 1.0000 + Se Se38 1.0 0.25875 0.09741 0.35955 1.0000 + Se Se39 1.0 0.25875 0.18074 0.35955 1.0000 + Se Se40 1.0 0.25875 0.26407 0.35955 1.0000 + Se Se41 1.0 0.25875 0.34741 0.35955 1.0000 + Se Se42 1.0 0.25875 0.43074 0.35955 1.0000 + Se Se43 1.0 0.25875 0.51407 0.35955 1.0000 + Se Se44 1.0 0.25875 0.59741 0.35955 1.0000 + Se Se45 1.0 0.25875 0.68074 0.35955 1.0000 + Se Se46 1.0 0.25875 0.76407 0.35955 1.0000 + Se Se47 1.0 0.25875 0.84741 0.35955 1.0000 + Se Se48 1.0 0.25875 0.93074 0.35955 1.0000 + Se Se49 1.0 0.34208 0.01407 0.35955 1.0000 + Se Se50 1.0 0.34208 0.09741 0.35955 1.0000 + Se Se51 1.0 0.34208 0.18074 0.35955 1.0000 + Se Se52 1.0 0.34208 0.26407 0.35955 1.0000 + Se Se53 1.0 0.34208 0.34741 0.35955 1.0000 + Se Se54 1.0 0.34208 0.43074 0.35955 1.0000 + Se Se55 1.0 0.34208 0.51407 0.35955 1.0000 + Se Se56 1.0 0.34208 0.59741 0.35955 1.0000 + Se Se57 1.0 0.34208 0.68074 0.35955 1.0000 + Se Se58 1.0 0.34208 0.76407 0.35955 1.0000 + Se Se59 1.0 0.34208 0.84741 0.35955 1.0000 + Se Se60 1.0 0.34208 0.93074 0.35955 1.0000 + Se Se61 1.0 0.42541 0.01407 0.35955 1.0000 + Se Se62 1.0 0.42541 0.09741 0.35955 1.0000 + Se Se63 1.0 0.42541 0.18074 0.35955 1.0000 + Se Se64 1.0 0.42541 0.26407 0.35955 1.0000 + Se Se65 1.0 0.42541 0.34741 0.35955 1.0000 + Se Se66 1.0 0.42541 0.43074 0.35955 1.0000 + Se Se67 1.0 0.42541 0.51407 0.35955 1.0000 + Se Se68 1.0 0.42541 0.59741 0.35955 1.0000 + Se Se69 1.0 0.42541 0.68074 0.35955 1.0000 + Se Se70 1.0 0.42541 0.76407 0.35955 1.0000 + Se Se71 1.0 0.42541 0.84741 0.35955 1.0000 + Se Se72 1.0 0.42541 0.93074 0.35955 1.0000 + Se Se73 1.0 0.50875 0.01407 0.35955 1.0000 + Se Se74 1.0 0.50875 0.09741 0.35955 1.0000 + Se Se75 1.0 0.50875 0.18074 0.35955 1.0000 + Se Se76 1.0 0.50875 0.26407 0.35955 1.0000 + Se Se77 1.0 0.50875 0.34741 0.35955 1.0000 + Se Se78 1.0 0.50875 0.43074 0.35955 1.0000 + Se Se79 1.0 0.50875 0.51407 0.35955 1.0000 + Se Se80 1.0 0.50875 0.59741 0.35955 1.0000 + Se Se81 1.0 0.50875 0.68074 0.35955 1.0000 + Se Se82 1.0 0.50875 0.76407 0.35955 1.0000 + Se Se83 1.0 0.50875 0.84741 0.35955 1.0000 + Se Se84 1.0 0.50875 0.93074 0.35955 1.0000 + Se Se85 1.0 0.59208 0.01407 0.35955 1.0000 + Se Se86 1.0 0.59208 0.09741 0.35955 1.0000 + Se Se87 1.0 0.59208 0.18074 0.35955 1.0000 + Se Se88 1.0 0.59208 0.26407 0.35955 1.0000 + Se Se89 1.0 0.59208 0.34741 0.35955 1.0000 + Se Se90 1.0 0.59208 0.43074 0.35955 1.0000 + Se Se91 1.0 0.59208 0.51407 0.35955 1.0000 + Se Se92 1.0 0.59208 0.59741 0.35955 1.0000 + Se Se93 1.0 0.59208 0.68074 0.35955 1.0000 + Se Se94 1.0 0.59208 0.76407 0.35955 1.0000 + Se Se95 1.0 0.59208 0.84741 0.35955 1.0000 + Se Se96 1.0 0.59208 0.93074 0.35955 1.0000 + Se Se97 1.0 0.67541 0.01407 0.35955 1.0000 + Se Se98 1.0 0.67541 0.09741 0.35955 1.0000 + Se Se99 1.0 0.67541 0.18074 0.35955 1.0000 + Se Se100 1.0 0.67541 0.26407 0.35955 1.0000 + Se Se101 1.0 0.67541 0.34741 0.35955 1.0000 + Se Se102 1.0 0.67541 0.43074 0.35955 1.0000 + Se Se103 1.0 0.67541 0.51407 0.35955 1.0000 + Se Se104 1.0 0.67541 0.59741 0.35955 1.0000 + Se Se105 1.0 0.67541 0.68074 0.35955 1.0000 + Se Se106 1.0 0.67541 0.76407 0.35955 1.0000 + Se Se107 1.0 0.67541 0.84741 0.35955 1.0000 + Se Se108 1.0 0.67541 0.93074 0.35955 1.0000 + Se Se109 1.0 0.75875 0.01407 0.35955 1.0000 + Se Se110 1.0 0.75875 0.09741 0.35955 1.0000 + Se Se111 1.0 0.75875 0.18074 0.35955 1.0000 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O1923 1.0 0.37267 0.23296 0.48278 1.0000 + O O1924 1.0 0.37267 0.31629 0.48278 1.0000 + O O1925 1.0 0.37267 0.39962 0.48278 1.0000 + O O1926 1.0 0.37267 0.48296 0.48278 1.0000 + O O1927 1.0 0.37267 0.56629 0.48278 1.0000 + O O1928 1.0 0.37267 0.64962 0.48278 1.0000 + O O1929 1.0 0.37267 0.73296 0.48278 1.0000 + O O1930 1.0 0.37267 0.81629 0.48278 1.0000 + O O1931 1.0 0.37267 0.89962 0.48278 1.0000 + O O1932 1.0 0.37267 0.98296 0.48278 1.0000 + O O1933 1.0 0.45601 0.06629 0.48278 1.0000 + O O1934 1.0 0.45601 0.14962 0.48278 1.0000 + O O1935 1.0 0.45601 0.23296 0.48278 1.0000 + O O1936 1.0 0.45601 0.31629 0.48278 1.0000 + O O1937 1.0 0.45601 0.39962 0.48278 1.0000 + O O1938 1.0 0.45601 0.48296 0.48278 1.0000 + O O1939 1.0 0.45601 0.56629 0.48278 1.0000 + O O1940 1.0 0.45601 0.64962 0.48278 1.0000 + O O1941 1.0 0.45601 0.73296 0.48278 1.0000 + O O1942 1.0 0.45601 0.81629 0.48278 1.0000 + O O1943 1.0 0.45601 0.89962 0.48278 1.0000 + O O1944 1.0 0.45601 0.98296 0.48278 1.0000 + O O1945 1.0 0.53934 0.06629 0.48278 1.0000 + O O1946 1.0 0.53934 0.14962 0.48278 1.0000 + O O1947 1.0 0.53934 0.23296 0.48278 1.0000 + O O1948 1.0 0.53934 0.31629 0.48278 1.0000 + O O1949 1.0 0.53934 0.39962 0.48278 1.0000 + O O1950 1.0 0.53934 0.48296 0.48278 1.0000 + O O1951 1.0 0.53934 0.56629 0.48278 1.0000 + O O1952 1.0 0.53934 0.64962 0.48278 1.0000 + O O1953 1.0 0.53934 0.73296 0.48278 1.0000 + O O1954 1.0 0.53934 0.81629 0.48278 1.0000 + O O1955 1.0 0.53934 0.89962 0.48278 1.0000 + O O1956 1.0 0.53934 0.98296 0.48278 1.0000 + O O1957 1.0 0.62267 0.06629 0.48278 1.0000 + O O1958 1.0 0.62267 0.14962 0.48278 1.0000 + O O1959 1.0 0.62267 0.23296 0.48278 1.0000 + O O1960 1.0 0.62267 0.31629 0.48278 1.0000 + O O1961 1.0 0.62267 0.39962 0.48278 1.0000 + O O1962 1.0 0.62267 0.48296 0.48278 1.0000 + O O1963 1.0 0.62267 0.56629 0.48278 1.0000 + O O1964 1.0 0.62267 0.64962 0.48278 1.0000 + O O1965 1.0 0.62267 0.73296 0.48278 1.0000 + O O1966 1.0 0.62267 0.81629 0.48278 1.0000 + O O1967 1.0 0.62267 0.89962 0.48278 1.0000 + O O1968 1.0 0.62267 0.98296 0.48278 1.0000 + O O1969 1.0 0.70601 0.06629 0.48278 1.0000 + O O1970 1.0 0.70601 0.14962 0.48278 1.0000 + O O1971 1.0 0.70601 0.23296 0.48278 1.0000 + O O1972 1.0 0.70601 0.31629 0.48278 1.0000 + O O1973 1.0 0.70601 0.39962 0.48278 1.0000 + O O1974 1.0 0.70601 0.48296 0.48278 1.0000 + O O1975 1.0 0.70601 0.56629 0.48278 1.0000 + O O1976 1.0 0.70601 0.64962 0.48278 1.0000 + O O1977 1.0 0.70601 0.73296 0.48278 1.0000 + O O1978 1.0 0.70601 0.81629 0.48278 1.0000 + O O1979 1.0 0.70601 0.89962 0.48278 1.0000 + O O1980 1.0 0.70601 0.98296 0.48278 1.0000 + O O1981 1.0 0.78934 0.06629 0.48278 1.0000 + O O1982 1.0 0.78934 0.14962 0.48278 1.0000 + O O1983 1.0 0.78934 0.23296 0.48278 1.0000 + O O1984 1.0 0.78934 0.31629 0.48278 1.0000 + O O1985 1.0 0.78934 0.39962 0.48278 1.0000 + O O1986 1.0 0.78934 0.48296 0.48278 1.0000 + O O1987 1.0 0.78934 0.56629 0.48278 1.0000 + O O1988 1.0 0.78934 0.64962 0.48278 1.0000 + O O1989 1.0 0.78934 0.73296 0.48278 1.0000 + O O1990 1.0 0.78934 0.81629 0.48278 1.0000 + O O1991 1.0 0.78934 0.89962 0.48278 1.0000 + O O1992 1.0 0.78934 0.98296 0.48278 1.0000 + O O1993 1.0 0.87267 0.06629 0.48278 1.0000 + O O1994 1.0 0.87267 0.14962 0.48278 1.0000 + O O1995 1.0 0.87267 0.23296 0.48278 1.0000 + O O1996 1.0 0.87267 0.31629 0.48278 1.0000 + O O1997 1.0 0.87267 0.39962 0.48278 1.0000 + O O1998 1.0 0.87267 0.48296 0.48278 1.0000 + O O1999 1.0 0.87267 0.56629 0.48278 1.0000 + O O2000 1.0 0.87267 0.64962 0.48278 1.0000 + O O2001 1.0 0.87267 0.73296 0.48278 1.0000 + O O2002 1.0 0.87267 0.81629 0.48278 1.0000 + O O2003 1.0 0.87267 0.89962 0.48278 1.0000 + O O2004 1.0 0.87267 0.98296 0.48278 1.0000 + O O2005 1.0 0.95601 0.06629 0.48278 1.0000 + O O2006 1.0 0.95601 0.14962 0.48278 1.0000 + O O2007 1.0 0.95601 0.23296 0.48278 1.0000 + O O2008 1.0 0.95601 0.31629 0.48278 1.0000 + O O2009 1.0 0.95601 0.39962 0.48278 1.0000 + O O2010 1.0 0.95601 0.48296 0.48278 1.0000 + O O2011 1.0 0.95601 0.56629 0.48278 1.0000 + O O2012 1.0 0.95601 0.64962 0.48278 1.0000 + O O2013 1.0 0.95601 0.73296 0.48278 1.0000 + O O2014 1.0 0.95601 0.81629 0.48278 1.0000 + O O2015 1.0 0.95601 0.89962 0.48278 1.0000 + O O2016 1.0 0.95601 0.98296 0.48278 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-34_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-34_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..c292eb488101e3fe276f5c839da43239eeafdb0f --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-34_supercell_12x12x1.cif @@ -0,0 +1,2329 @@ +data_image0 +_chemical_formula_structural Ga288Sb864Ga288Sb864 +_chemical_formula_sum "Ga576 Sb1728" +_cell_length_a 176.243 +_cell_length_b 101.754 +_cell_length_c 5.6958 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Ga Ga1 1.0 0.98611 0.04167 0.47847 1.0000 + Ga Ga2 1.0 0.94444 0.08333 0.47847 1.0000 + Ga Ga3 1.0 0.90278 0.12500 0.47847 1.0000 + Ga Ga4 1.0 0.86111 0.16667 0.47847 1.0000 + Ga Ga5 1.0 0.81944 0.20833 0.47847 1.0000 + Ga Ga6 1.0 0.77778 0.25000 0.47847 1.0000 + Ga Ga7 1.0 0.73611 0.29167 0.47847 1.0000 + Ga Ga8 1.0 0.69444 0.33333 0.47847 1.0000 + Ga Ga9 1.0 0.65278 0.37500 0.47847 1.0000 + Ga Ga10 1.0 0.61111 0.41667 0.47847 1.0000 + Ga Ga11 1.0 0.56944 0.45833 0.47847 1.0000 + Ga Ga12 1.0 0.52778 0.50000 0.47847 1.0000 + Ga Ga13 1.0 0.02778 0.08333 0.47847 1.0000 + Ga Ga14 1.0 0.98611 0.12500 0.47847 1.0000 + Ga Ga15 1.0 0.94444 0.16667 0.47847 1.0000 + Ga Ga16 1.0 0.90278 0.20833 0.47847 1.0000 + Ga Ga17 1.0 0.86111 0.25000 0.47847 1.0000 + Ga Ga18 1.0 0.81944 0.29167 0.47847 1.0000 + Ga Ga19 1.0 0.77778 0.33333 0.47847 1.0000 + Ga Ga20 1.0 0.73611 0.37500 0.47847 1.0000 + Ga Ga21 1.0 0.69444 0.41667 0.47847 1.0000 + Ga Ga22 1.0 0.65278 0.45833 0.47847 1.0000 + Ga Ga23 1.0 0.61111 0.50000 0.47847 1.0000 + Ga Ga24 1.0 0.56944 0.54167 0.47847 1.0000 + Ga Ga25 1.0 0.06944 0.12500 0.47847 1.0000 + Ga Ga26 1.0 0.02778 0.16667 0.47847 1.0000 + Ga Ga27 1.0 0.98611 0.20833 0.47847 1.0000 + Ga Ga28 1.0 0.94444 0.25000 0.47847 1.0000 + Ga Ga29 1.0 0.90278 0.29167 0.47847 1.0000 + Ga Ga30 1.0 0.86111 0.33333 0.47847 1.0000 + Ga Ga31 1.0 0.81944 0.37500 0.47847 1.0000 + Ga Ga32 1.0 0.77778 0.41667 0.47847 1.0000 + Ga Ga33 1.0 0.73611 0.45833 0.47847 1.0000 + Ga Ga34 1.0 0.69444 0.50000 0.47847 1.0000 + Ga Ga35 1.0 0.65278 0.54167 0.47847 1.0000 + Ga Ga36 1.0 0.61111 0.58333 0.47847 1.0000 + Ga Ga37 1.0 0.11111 0.16667 0.47847 1.0000 + Ga Ga38 1.0 0.06944 0.20833 0.47847 1.0000 + Ga Ga39 1.0 0.02778 0.25000 0.47847 1.0000 + Ga Ga40 1.0 0.98611 0.29167 0.47847 1.0000 + Ga Ga41 1.0 0.94444 0.33333 0.47847 1.0000 + Ga Ga42 1.0 0.90278 0.37500 0.47847 1.0000 + Ga Ga43 1.0 0.86111 0.41667 0.47847 1.0000 + Ga Ga44 1.0 0.81944 0.45833 0.47847 1.0000 + Ga Ga45 1.0 0.77778 0.50000 0.47847 1.0000 + Ga Ga46 1.0 0.73611 0.54167 0.47847 1.0000 + Ga Ga47 1.0 0.69444 0.58333 0.47847 1.0000 + Ga Ga48 1.0 0.65278 0.62500 0.47847 1.0000 + Ga Ga49 1.0 0.15278 0.20833 0.47847 1.0000 + Ga Ga50 1.0 0.11111 0.25000 0.47847 1.0000 + Ga Ga51 1.0 0.06944 0.29167 0.47847 1.0000 + Ga Ga52 1.0 0.02778 0.33333 0.47847 1.0000 + Ga Ga53 1.0 0.98611 0.37500 0.47847 1.0000 + Ga Ga54 1.0 0.94444 0.41667 0.47847 1.0000 + Ga Ga55 1.0 0.90278 0.45833 0.47847 1.0000 + Ga Ga56 1.0 0.86111 0.50000 0.47847 1.0000 + Ga Ga57 1.0 0.81944 0.54167 0.47847 1.0000 + Ga Ga58 1.0 0.77778 0.58333 0.47847 1.0000 + Ga Ga59 1.0 0.73611 0.62500 0.47847 1.0000 + Ga Ga60 1.0 0.69444 0.66667 0.47847 1.0000 + Ga Ga61 1.0 0.19444 0.25000 0.47847 1.0000 + Ga Ga62 1.0 0.15278 0.29167 0.47847 1.0000 + Ga Ga63 1.0 0.11111 0.33333 0.47847 1.0000 + Ga Ga64 1.0 0.06944 0.37500 0.47847 1.0000 + Ga Ga65 1.0 0.02778 0.41667 0.47847 1.0000 + Ga Ga66 1.0 0.98611 0.45833 0.47847 1.0000 + Ga Ga67 1.0 0.94444 0.50000 0.47847 1.0000 + Ga Ga68 1.0 0.90278 0.54167 0.47847 1.0000 + Ga Ga69 1.0 0.86111 0.58333 0.47847 1.0000 + Ga Ga70 1.0 0.81944 0.62500 0.47847 1.0000 + Ga Ga71 1.0 0.77778 0.66667 0.47847 1.0000 + Ga Ga72 1.0 0.73611 0.70833 0.47847 1.0000 + Ga Ga73 1.0 0.23611 0.29167 0.47847 1.0000 + Ga Ga74 1.0 0.19444 0.33333 0.47847 1.0000 + Ga Ga75 1.0 0.15278 0.37500 0.47847 1.0000 + Ga Ga76 1.0 0.11111 0.41667 0.47847 1.0000 + Ga Ga77 1.0 0.06944 0.45833 0.47847 1.0000 + Ga Ga78 1.0 0.02778 0.50000 0.47847 1.0000 + Ga Ga79 1.0 0.98611 0.54167 0.47847 1.0000 + Ga Ga80 1.0 0.94444 0.58333 0.47847 1.0000 + Ga Ga81 1.0 0.90278 0.62500 0.47847 1.0000 + Ga Ga82 1.0 0.86111 0.66667 0.47847 1.0000 + Ga Ga83 1.0 0.81944 0.70833 0.47847 1.0000 + Ga Ga84 1.0 0.77778 0.75000 0.47847 1.0000 + Ga Ga85 1.0 0.27778 0.33333 0.47847 1.0000 + Ga Ga86 1.0 0.23611 0.37500 0.47847 1.0000 + Ga Ga87 1.0 0.19444 0.41667 0.47847 1.0000 + Ga Ga88 1.0 0.15278 0.45833 0.47847 1.0000 + Ga Ga89 1.0 0.11111 0.50000 0.47847 1.0000 + Ga Ga90 1.0 0.06944 0.54167 0.47847 1.0000 + Ga Ga91 1.0 0.02778 0.58333 0.47847 1.0000 + Ga Ga92 1.0 0.98611 0.62500 0.47847 1.0000 + Ga Ga93 1.0 0.94444 0.66667 0.47847 1.0000 + Ga Ga94 1.0 0.90278 0.70833 0.47847 1.0000 + Ga Ga95 1.0 0.86111 0.75000 0.47847 1.0000 + Ga Ga96 1.0 0.81944 0.79167 0.47847 1.0000 + Ga Ga97 1.0 0.31944 0.37500 0.47847 1.0000 + Ga Ga98 1.0 0.27778 0.41667 0.47847 1.0000 + Ga Ga99 1.0 0.23611 0.45833 0.47847 1.0000 + Ga Ga100 1.0 0.19444 0.50000 0.47847 1.0000 + Ga Ga101 1.0 0.15278 0.54167 0.47847 1.0000 + Ga Ga102 1.0 0.11111 0.58333 0.47847 1.0000 + Ga Ga103 1.0 0.06944 0.62500 0.47847 1.0000 + Ga Ga104 1.0 0.02778 0.66667 0.47847 1.0000 + Ga Ga105 1.0 0.98611 0.70833 0.47847 1.0000 + Ga Ga106 1.0 0.94444 0.75000 0.47847 1.0000 + Ga Ga107 1.0 0.90278 0.79167 0.47847 1.0000 + Ga Ga108 1.0 0.86111 0.83333 0.47847 1.0000 + Ga Ga109 1.0 0.36111 0.41667 0.47847 1.0000 + Ga Ga110 1.0 0.31944 0.45833 0.47847 1.0000 + Ga Ga111 1.0 0.27778 0.50000 0.47847 1.0000 + Ga Ga112 1.0 0.23611 0.54167 0.47847 1.0000 + Ga Ga113 1.0 0.19444 0.58333 0.47847 1.0000 + Ga Ga114 1.0 0.15278 0.62500 0.47847 1.0000 + Ga Ga115 1.0 0.11111 0.66667 0.47847 1.0000 + Ga Ga116 1.0 0.06944 0.70833 0.47847 1.0000 + Ga Ga117 1.0 0.02778 0.75000 0.47847 1.0000 + Ga Ga118 1.0 0.98611 0.79167 0.47847 1.0000 + Ga Ga119 1.0 0.94444 0.83333 0.47847 1.0000 + Ga Ga120 1.0 0.90278 0.87500 0.47847 1.0000 + Ga Ga121 1.0 0.40278 0.45833 0.47847 1.0000 + Ga Ga122 1.0 0.36111 0.50000 0.47847 1.0000 + Ga Ga123 1.0 0.31944 0.54167 0.47847 1.0000 + Ga Ga124 1.0 0.27778 0.58333 0.47847 1.0000 + Ga Ga125 1.0 0.23611 0.62500 0.47847 1.0000 + Ga Ga126 1.0 0.19444 0.66667 0.47847 1.0000 + Ga Ga127 1.0 0.15278 0.70833 0.47847 1.0000 + Ga Ga128 1.0 0.11111 0.75000 0.47847 1.0000 + Ga Ga129 1.0 0.06944 0.79167 0.47847 1.0000 + Ga Ga130 1.0 0.02778 0.83333 0.47847 1.0000 + Ga Ga131 1.0 0.98611 0.87500 0.47847 1.0000 + Ga Ga132 1.0 0.94444 0.91667 0.47847 1.0000 + Ga Ga133 1.0 0.44444 0.50000 0.47847 1.0000 + Ga Ga134 1.0 0.40278 0.54167 0.47847 1.0000 + Ga Ga135 1.0 0.36111 0.58333 0.47847 1.0000 + Ga Ga136 1.0 0.31944 0.62500 0.47847 1.0000 + Ga Ga137 1.0 0.27778 0.66667 0.47847 1.0000 + Ga Ga138 1.0 0.23611 0.70833 0.47847 1.0000 + Ga Ga139 1.0 0.19444 0.75000 0.47847 1.0000 + Ga Ga140 1.0 0.15278 0.79167 0.47847 1.0000 + Ga Ga141 1.0 0.11111 0.83333 0.47847 1.0000 + Ga Ga142 1.0 0.06944 0.87500 0.47847 1.0000 + Ga Ga143 1.0 0.02778 0.91667 0.47847 1.0000 + Ga Ga144 1.0 0.98611 0.95833 0.47847 1.0000 + Ga Ga145 1.0 0.01389 0.04167 0.52153 1.0000 + Ga Ga146 1.0 0.97222 0.08333 0.52153 1.0000 + Ga Ga147 1.0 0.93056 0.12500 0.52153 1.0000 + Ga Ga148 1.0 0.88889 0.16667 0.52153 1.0000 + Ga Ga149 1.0 0.84722 0.20833 0.52153 1.0000 + Ga Ga150 1.0 0.80556 0.25000 0.52153 1.0000 + Ga Ga151 1.0 0.76389 0.29167 0.52153 1.0000 + Ga Ga152 1.0 0.72222 0.33333 0.52153 1.0000 + Ga Ga153 1.0 0.68056 0.37500 0.52153 1.0000 + Ga Ga154 1.0 0.63889 0.41667 0.52153 1.0000 + Ga Ga155 1.0 0.59722 0.45833 0.52153 1.0000 + Ga Ga156 1.0 0.55556 0.50000 0.52153 1.0000 + Ga Ga157 1.0 0.05556 0.08333 0.52153 1.0000 + Ga Ga158 1.0 0.01389 0.12500 0.52153 1.0000 + Ga Ga159 1.0 0.97222 0.16667 0.52153 1.0000 + Ga Ga160 1.0 0.93056 0.20833 0.52153 1.0000 + Ga Ga161 1.0 0.88889 0.25000 0.52153 1.0000 + Ga Ga162 1.0 0.84722 0.29167 0.52153 1.0000 + Ga Ga163 1.0 0.80556 0.33333 0.52153 1.0000 + Ga Ga164 1.0 0.76389 0.37500 0.52153 1.0000 + Ga Ga165 1.0 0.72222 0.41667 0.52153 1.0000 + Ga Ga166 1.0 0.68056 0.45833 0.52153 1.0000 + Ga Ga167 1.0 0.63889 0.50000 0.52153 1.0000 + Ga Ga168 1.0 0.59722 0.54167 0.52153 1.0000 + Ga Ga169 1.0 0.09722 0.12500 0.52153 1.0000 + Ga Ga170 1.0 0.05556 0.16667 0.52153 1.0000 + Ga Ga171 1.0 0.01389 0.20833 0.52153 1.0000 + Ga Ga172 1.0 0.97222 0.25000 0.52153 1.0000 + Ga Ga173 1.0 0.93056 0.29167 0.52153 1.0000 + Ga Ga174 1.0 0.88889 0.33333 0.52153 1.0000 + Ga Ga175 1.0 0.84722 0.37500 0.52153 1.0000 + Ga Ga176 1.0 0.80556 0.41667 0.52153 1.0000 + Ga Ga177 1.0 0.76389 0.45833 0.52153 1.0000 + Ga Ga178 1.0 0.72222 0.50000 0.52153 1.0000 + Ga Ga179 1.0 0.68056 0.54167 0.52153 1.0000 + Ga Ga180 1.0 0.63889 0.58333 0.52153 1.0000 + Ga Ga181 1.0 0.13889 0.16667 0.52153 1.0000 + Ga Ga182 1.0 0.09722 0.20833 0.52153 1.0000 + Ga Ga183 1.0 0.05556 0.25000 0.52153 1.0000 + Ga Ga184 1.0 0.01389 0.29167 0.52153 1.0000 + Ga Ga185 1.0 0.97222 0.33333 0.52153 1.0000 + Ga Ga186 1.0 0.93056 0.37500 0.52153 1.0000 + Ga Ga187 1.0 0.88889 0.41667 0.52153 1.0000 + Ga Ga188 1.0 0.84722 0.45833 0.52153 1.0000 + Ga Ga189 1.0 0.80556 0.50000 0.52153 1.0000 + Ga Ga190 1.0 0.76389 0.54167 0.52153 1.0000 + Ga Ga191 1.0 0.72222 0.58333 0.52153 1.0000 + Ga Ga192 1.0 0.68056 0.62500 0.52153 1.0000 + Ga Ga193 1.0 0.18056 0.20833 0.52153 1.0000 + Ga Ga194 1.0 0.13889 0.25000 0.52153 1.0000 + Ga Ga195 1.0 0.09722 0.29167 0.52153 1.0000 + Ga Ga196 1.0 0.05556 0.33333 0.52153 1.0000 + Ga Ga197 1.0 0.01389 0.37500 0.52153 1.0000 + Ga Ga198 1.0 0.97222 0.41667 0.52153 1.0000 + Ga Ga199 1.0 0.93056 0.45833 0.52153 1.0000 + Ga Ga200 1.0 0.88889 0.50000 0.52153 1.0000 + Ga Ga201 1.0 0.84722 0.54167 0.52153 1.0000 + Ga Ga202 1.0 0.80556 0.58333 0.52153 1.0000 + Ga Ga203 1.0 0.76389 0.62500 0.52153 1.0000 + Ga Ga204 1.0 0.72222 0.66667 0.52153 1.0000 + Ga Ga205 1.0 0.22222 0.25000 0.52153 1.0000 + Ga Ga206 1.0 0.18056 0.29167 0.52153 1.0000 + Ga Ga207 1.0 0.13889 0.33333 0.52153 1.0000 + Ga Ga208 1.0 0.09722 0.37500 0.52153 1.0000 + Ga Ga209 1.0 0.05556 0.41667 0.52153 1.0000 + Ga Ga210 1.0 0.01389 0.45833 0.52153 1.0000 + Ga Ga211 1.0 0.97222 0.50000 0.52153 1.0000 + Ga Ga212 1.0 0.93056 0.54167 0.52153 1.0000 + Ga Ga213 1.0 0.88889 0.58333 0.52153 1.0000 + Ga Ga214 1.0 0.84722 0.62500 0.52153 1.0000 + Ga Ga215 1.0 0.80556 0.66667 0.52153 1.0000 + Ga Ga216 1.0 0.76389 0.70833 0.52153 1.0000 + Ga Ga217 1.0 0.26389 0.29167 0.52153 1.0000 + Ga Ga218 1.0 0.22222 0.33333 0.52153 1.0000 + Ga Ga219 1.0 0.18056 0.37500 0.52153 1.0000 + Ga Ga220 1.0 0.13889 0.41667 0.52153 1.0000 + Ga Ga221 1.0 0.09722 0.45833 0.52153 1.0000 + Ga Ga222 1.0 0.05556 0.50000 0.52153 1.0000 + Ga Ga223 1.0 0.01389 0.54167 0.52153 1.0000 + Ga Ga224 1.0 0.97222 0.58333 0.52153 1.0000 + Ga Ga225 1.0 0.93056 0.62500 0.52153 1.0000 + Ga Ga226 1.0 0.88889 0.66667 0.52153 1.0000 + Ga Ga227 1.0 0.84722 0.70833 0.52153 1.0000 + Ga Ga228 1.0 0.80556 0.75000 0.52153 1.0000 + Ga Ga229 1.0 0.30556 0.33333 0.52153 1.0000 + Ga Ga230 1.0 0.26389 0.37500 0.52153 1.0000 + Ga Ga231 1.0 0.22222 0.41667 0.52153 1.0000 + Ga Ga232 1.0 0.18056 0.45833 0.52153 1.0000 + Ga Ga233 1.0 0.13889 0.50000 0.52153 1.0000 + Ga Ga234 1.0 0.09722 0.54167 0.52153 1.0000 + Ga Ga235 1.0 0.05556 0.58333 0.52153 1.0000 + Ga Ga236 1.0 0.01389 0.62500 0.52153 1.0000 + Ga Ga237 1.0 0.97222 0.66667 0.52153 1.0000 + Ga Ga238 1.0 0.93056 0.70833 0.52153 1.0000 + Ga Ga239 1.0 0.88889 0.75000 0.52153 1.0000 + Ga Ga240 1.0 0.84722 0.79167 0.52153 1.0000 + Ga Ga241 1.0 0.34722 0.37500 0.52153 1.0000 + Ga Ga242 1.0 0.30556 0.41667 0.52153 1.0000 + Ga Ga243 1.0 0.26389 0.45833 0.52153 1.0000 + Ga Ga244 1.0 0.22222 0.50000 0.52153 1.0000 + Ga Ga245 1.0 0.18056 0.54167 0.52153 1.0000 + Ga Ga246 1.0 0.13889 0.58333 0.52153 1.0000 + Ga Ga247 1.0 0.09722 0.62500 0.52153 1.0000 + Ga Ga248 1.0 0.05556 0.66667 0.52153 1.0000 + Ga Ga249 1.0 0.01389 0.70833 0.52153 1.0000 + Ga Ga250 1.0 0.97222 0.75000 0.52153 1.0000 + Ga Ga251 1.0 0.93056 0.79167 0.52153 1.0000 + Ga Ga252 1.0 0.88889 0.83333 0.52153 1.0000 + Ga Ga253 1.0 0.38889 0.41667 0.52153 1.0000 + Ga Ga254 1.0 0.34722 0.45833 0.52153 1.0000 + Ga Ga255 1.0 0.30556 0.50000 0.52153 1.0000 + Ga Ga256 1.0 0.26389 0.54167 0.52153 1.0000 + Ga Ga257 1.0 0.22222 0.58333 0.52153 1.0000 + Ga Ga258 1.0 0.18056 0.62500 0.52153 1.0000 + Ga Ga259 1.0 0.13889 0.66667 0.52153 1.0000 + Ga Ga260 1.0 0.09722 0.70833 0.52153 1.0000 + Ga Ga261 1.0 0.05556 0.75000 0.52153 1.0000 + Ga Ga262 1.0 0.01389 0.79167 0.52153 1.0000 + Ga Ga263 1.0 0.97222 0.83333 0.52153 1.0000 + Ga Ga264 1.0 0.93056 0.87500 0.52153 1.0000 + Ga Ga265 1.0 0.43056 0.45833 0.52153 1.0000 + Ga Ga266 1.0 0.38889 0.50000 0.52153 1.0000 + Ga Ga267 1.0 0.34722 0.54167 0.52153 1.0000 + Ga Ga268 1.0 0.30556 0.58333 0.52153 1.0000 + Ga Ga269 1.0 0.26389 0.62500 0.52153 1.0000 + Ga Ga270 1.0 0.22222 0.66667 0.52153 1.0000 + Ga Ga271 1.0 0.18056 0.70833 0.52153 1.0000 + Ga Ga272 1.0 0.13889 0.75000 0.52153 1.0000 + Ga Ga273 1.0 0.09722 0.79167 0.52153 1.0000 + Ga Ga274 1.0 0.05556 0.83333 0.52153 1.0000 + Ga Ga275 1.0 0.01389 0.87500 0.52153 1.0000 + Ga Ga276 1.0 0.97222 0.91667 0.52153 1.0000 + Ga Ga277 1.0 0.47222 0.50000 0.52153 1.0000 + Ga Ga278 1.0 0.43056 0.54167 0.52153 1.0000 + Ga Ga279 1.0 0.38889 0.58333 0.52153 1.0000 + Ga Ga280 1.0 0.34722 0.62500 0.52153 1.0000 + Ga Ga281 1.0 0.30556 0.66667 0.52153 1.0000 + Ga Ga282 1.0 0.26389 0.70833 0.52153 1.0000 + Ga Ga283 1.0 0.22222 0.75000 0.52153 1.0000 + Ga Ga284 1.0 0.18056 0.79167 0.52153 1.0000 + Ga Ga285 1.0 0.13889 0.83333 0.52153 1.0000 + Ga Ga286 1.0 0.09722 0.87500 0.52153 1.0000 + Ga Ga287 1.0 0.05556 0.91667 0.52153 1.0000 + Ga Ga288 1.0 0.01389 0.95833 0.52153 1.0000 + Sb Sb1 1.0 0.97155 0.04167 0.35114 1.0000 + Sb Sb2 1.0 0.92988 0.08333 0.35114 1.0000 + Sb Sb3 1.0 0.88821 0.12500 0.35114 1.0000 + Sb Sb4 1.0 0.84655 0.16667 0.35114 1.0000 + Sb Sb5 1.0 0.80488 0.20833 0.35114 1.0000 + Sb Sb6 1.0 0.76321 0.25000 0.35114 1.0000 + Sb Sb7 1.0 0.72155 0.29167 0.35114 1.0000 + Sb Sb8 1.0 0.67988 0.33333 0.35114 1.0000 + Sb Sb9 1.0 0.63821 0.37500 0.35114 1.0000 + Sb Sb10 1.0 0.59655 0.41667 0.35114 1.0000 + Sb Sb11 1.0 0.55488 0.45833 0.35114 1.0000 + Sb Sb12 1.0 0.51321 0.50000 0.35114 1.0000 + Sb Sb13 1.0 0.01321 0.08333 0.35114 1.0000 + Sb Sb14 1.0 0.97155 0.12500 0.35114 1.0000 + Sb Sb15 1.0 0.92988 0.16667 0.35114 1.0000 + Sb Sb16 1.0 0.88821 0.20833 0.35114 1.0000 + Sb Sb17 1.0 0.84655 0.25000 0.35114 1.0000 + Sb Sb18 1.0 0.80488 0.29167 0.35114 1.0000 + Sb Sb19 1.0 0.76321 0.33333 0.35114 1.0000 + Sb Sb20 1.0 0.72155 0.37500 0.35114 1.0000 + Sb Sb21 1.0 0.67988 0.41667 0.35114 1.0000 + Sb Sb22 1.0 0.63821 0.45833 0.35114 1.0000 + Sb Sb23 1.0 0.59655 0.50000 0.35114 1.0000 + Sb Sb24 1.0 0.55488 0.54167 0.35114 1.0000 + Sb Sb25 1.0 0.05488 0.12500 0.35114 1.0000 + Sb Sb26 1.0 0.01321 0.16667 0.35114 1.0000 + Sb Sb27 1.0 0.97155 0.20833 0.35114 1.0000 + Sb Sb28 1.0 0.92988 0.25000 0.35114 1.0000 + Sb Sb29 1.0 0.88821 0.29167 0.35114 1.0000 + Sb Sb30 1.0 0.84655 0.33333 0.35114 1.0000 + Sb Sb31 1.0 0.80488 0.37500 0.35114 1.0000 + Sb Sb32 1.0 0.76321 0.41667 0.35114 1.0000 + Sb Sb33 1.0 0.72155 0.45833 0.35114 1.0000 + Sb Sb34 1.0 0.67988 0.50000 0.35114 1.0000 + Sb Sb35 1.0 0.63821 0.54167 0.35114 1.0000 + Sb Sb36 1.0 0.59655 0.58333 0.35114 1.0000 + Sb Sb37 1.0 0.09655 0.16667 0.35114 1.0000 + Sb Sb38 1.0 0.05488 0.20833 0.35114 1.0000 + Sb Sb39 1.0 0.01321 0.25000 0.35114 1.0000 + Sb Sb40 1.0 0.97155 0.29167 0.35114 1.0000 + Sb Sb41 1.0 0.92988 0.33333 0.35114 1.0000 + Sb Sb42 1.0 0.88821 0.37500 0.35114 1.0000 + Sb Sb43 1.0 0.84655 0.41667 0.35114 1.0000 + Sb Sb44 1.0 0.80488 0.45833 0.35114 1.0000 + Sb Sb45 1.0 0.76321 0.50000 0.35114 1.0000 + Sb Sb46 1.0 0.72155 0.54167 0.35114 1.0000 + Sb Sb47 1.0 0.67988 0.58333 0.35114 1.0000 + Sb Sb48 1.0 0.63821 0.62500 0.35114 1.0000 + Sb Sb49 1.0 0.13821 0.20833 0.35114 1.0000 + Sb Sb50 1.0 0.09655 0.25000 0.35114 1.0000 + Sb Sb51 1.0 0.05488 0.29167 0.35114 1.0000 + Sb Sb52 1.0 0.01321 0.33333 0.35114 1.0000 + Sb Sb53 1.0 0.97155 0.37500 0.35114 1.0000 + Sb Sb54 1.0 0.92988 0.41667 0.35114 1.0000 + Sb Sb55 1.0 0.88821 0.45833 0.35114 1.0000 + Sb Sb56 1.0 0.84655 0.50000 0.35114 1.0000 + Sb Sb57 1.0 0.80488 0.54167 0.35114 1.0000 + Sb Sb58 1.0 0.76321 0.58333 0.35114 1.0000 + Sb Sb59 1.0 0.72155 0.62500 0.35114 1.0000 + Sb Sb60 1.0 0.67988 0.66667 0.35114 1.0000 + Sb Sb61 1.0 0.17988 0.25000 0.35114 1.0000 + Sb Sb62 1.0 0.13821 0.29167 0.35114 1.0000 + Sb Sb63 1.0 0.09655 0.33333 0.35114 1.0000 + Sb Sb64 1.0 0.05488 0.37500 0.35114 1.0000 + Sb Sb65 1.0 0.01321 0.41667 0.35114 1.0000 + Sb Sb66 1.0 0.97155 0.45833 0.35114 1.0000 + Sb Sb67 1.0 0.92988 0.50000 0.35114 1.0000 + Sb Sb68 1.0 0.88821 0.54167 0.35114 1.0000 + Sb Sb69 1.0 0.84655 0.58333 0.35114 1.0000 + Sb Sb70 1.0 0.80488 0.62500 0.35114 1.0000 + Sb Sb71 1.0 0.76321 0.66667 0.35114 1.0000 + Sb Sb72 1.0 0.72155 0.70833 0.35114 1.0000 + Sb Sb73 1.0 0.22155 0.29167 0.35114 1.0000 + Sb Sb74 1.0 0.17988 0.33333 0.35114 1.0000 + Sb Sb75 1.0 0.13821 0.37500 0.35114 1.0000 + Sb Sb76 1.0 0.09655 0.41667 0.35114 1.0000 + Sb Sb77 1.0 0.05488 0.45833 0.35114 1.0000 + Sb Sb78 1.0 0.01321 0.50000 0.35114 1.0000 + Sb Sb79 1.0 0.97155 0.54167 0.35114 1.0000 + Sb Sb80 1.0 0.92988 0.58333 0.35114 1.0000 + Sb Sb81 1.0 0.88821 0.62500 0.35114 1.0000 + Sb Sb82 1.0 0.84655 0.66667 0.35114 1.0000 + Sb Sb83 1.0 0.80488 0.70833 0.35114 1.0000 + Sb Sb84 1.0 0.76321 0.75000 0.35114 1.0000 + Sb Sb85 1.0 0.26321 0.33333 0.35114 1.0000 + Sb Sb86 1.0 0.22155 0.37500 0.35114 1.0000 + Sb Sb87 1.0 0.17988 0.41667 0.35114 1.0000 + Sb Sb88 1.0 0.13821 0.45833 0.35114 1.0000 + Sb Sb89 1.0 0.09655 0.50000 0.35114 1.0000 + Sb Sb90 1.0 0.05488 0.54167 0.35114 1.0000 + Sb Sb91 1.0 0.01321 0.58333 0.35114 1.0000 + Sb Sb92 1.0 0.97155 0.62500 0.35114 1.0000 + Sb Sb93 1.0 0.92988 0.66667 0.35114 1.0000 + Sb Sb94 1.0 0.88821 0.70833 0.35114 1.0000 + Sb Sb95 1.0 0.84655 0.75000 0.35114 1.0000 + Sb Sb96 1.0 0.80488 0.79167 0.35114 1.0000 + Sb Sb97 1.0 0.30488 0.37500 0.35114 1.0000 + Sb Sb98 1.0 0.26321 0.41667 0.35114 1.0000 + Sb Sb99 1.0 0.22155 0.45833 0.35114 1.0000 + Sb Sb100 1.0 0.17988 0.50000 0.35114 1.0000 + Sb Sb101 1.0 0.13821 0.54167 0.35114 1.0000 + Sb Sb102 1.0 0.09655 0.58333 0.35114 1.0000 + Sb Sb103 1.0 0.05488 0.62500 0.35114 1.0000 + Sb Sb104 1.0 0.01321 0.66667 0.35114 1.0000 + Sb Sb105 1.0 0.97155 0.70833 0.35114 1.0000 + Sb Sb106 1.0 0.92988 0.75000 0.35114 1.0000 + Sb Sb107 1.0 0.88821 0.79167 0.35114 1.0000 + Sb Sb108 1.0 0.84655 0.83333 0.35114 1.0000 + Sb Sb109 1.0 0.34655 0.41667 0.35114 1.0000 + Sb Sb110 1.0 0.30488 0.45833 0.35114 1.0000 + Sb Sb111 1.0 0.26321 0.50000 0.35114 1.0000 + Sb Sb112 1.0 0.22155 0.54167 0.35114 1.0000 + Sb Sb113 1.0 0.17988 0.58333 0.35114 1.0000 + Sb Sb114 1.0 0.13821 0.62500 0.35114 1.0000 + Sb Sb115 1.0 0.09655 0.66667 0.35114 1.0000 + Sb Sb116 1.0 0.05488 0.70833 0.35114 1.0000 + Sb Sb117 1.0 0.01321 0.75000 0.35114 1.0000 + Sb Sb118 1.0 0.97155 0.79167 0.35114 1.0000 + Sb Sb119 1.0 0.92988 0.83333 0.35114 1.0000 + Sb Sb120 1.0 0.88821 0.87500 0.35114 1.0000 + Sb Sb121 1.0 0.38821 0.45833 0.35114 1.0000 + Sb Sb122 1.0 0.34655 0.50000 0.35114 1.0000 + Sb Sb123 1.0 0.30488 0.54167 0.35114 1.0000 + Sb Sb124 1.0 0.26321 0.58333 0.35114 1.0000 + Sb Sb125 1.0 0.22155 0.62500 0.35114 1.0000 + Sb Sb126 1.0 0.17988 0.66667 0.35114 1.0000 + Sb Sb127 1.0 0.13821 0.70833 0.35114 1.0000 + Sb Sb128 1.0 0.09655 0.75000 0.35114 1.0000 + Sb Sb129 1.0 0.05488 0.79167 0.35114 1.0000 + Sb Sb130 1.0 0.01321 0.83333 0.35114 1.0000 + Sb Sb131 1.0 0.97155 0.87500 0.35114 1.0000 + Sb Sb132 1.0 0.92988 0.91667 0.35114 1.0000 + Sb Sb133 1.0 0.42988 0.50000 0.35114 1.0000 + Sb Sb134 1.0 0.38821 0.54167 0.35114 1.0000 + Sb Sb135 1.0 0.34655 0.58333 0.35114 1.0000 + Sb Sb136 1.0 0.30488 0.62500 0.35114 1.0000 + Sb Sb137 1.0 0.26321 0.66667 0.35114 1.0000 + Sb Sb138 1.0 0.22155 0.70833 0.35114 1.0000 + Sb Sb139 1.0 0.17988 0.75000 0.35114 1.0000 + Sb Sb140 1.0 0.13821 0.79167 0.35114 1.0000 + Sb Sb141 1.0 0.09655 0.83333 0.35114 1.0000 + Sb Sb142 1.0 0.05488 0.87500 0.35114 1.0000 + Sb Sb143 1.0 0.01321 0.91667 0.35114 1.0000 + Sb Sb144 1.0 0.97155 0.95833 0.35114 1.0000 + Sb Sb145 1.0 0.99339 0.06351 0.35114 1.0000 + Sb Sb146 1.0 0.95173 0.10518 0.35114 1.0000 + Sb Sb147 1.0 0.91006 0.14685 0.35114 1.0000 + Sb Sb148 1.0 0.86839 0.18851 0.35114 1.0000 + Sb Sb149 1.0 0.82673 0.23018 0.35114 1.0000 + Sb Sb150 1.0 0.78506 0.27185 0.35114 1.0000 + Sb Sb151 1.0 0.74339 0.31351 0.35114 1.0000 + Sb Sb152 1.0 0.70173 0.35518 0.35114 1.0000 + Sb Sb153 1.0 0.66006 0.39685 0.35114 1.0000 + Sb Sb154 1.0 0.61839 0.43851 0.35114 1.0000 + Sb Sb155 1.0 0.57673 0.48018 0.35114 1.0000 + Sb Sb156 1.0 0.53506 0.52185 0.35114 1.0000 + Sb Sb157 1.0 0.03506 0.10518 0.35114 1.0000 + Sb Sb158 1.0 0.99339 0.14685 0.35114 1.0000 + Sb Sb159 1.0 0.95173 0.18851 0.35114 1.0000 + Sb Sb160 1.0 0.91006 0.23018 0.35114 1.0000 + Sb Sb161 1.0 0.86839 0.27185 0.35114 1.0000 + Sb Sb162 1.0 0.82673 0.31351 0.35114 1.0000 + Sb Sb163 1.0 0.78506 0.35518 0.35114 1.0000 + Sb Sb164 1.0 0.74339 0.39685 0.35114 1.0000 + Sb Sb165 1.0 0.70173 0.43851 0.35114 1.0000 + Sb Sb166 1.0 0.66006 0.48018 0.35114 1.0000 + Sb Sb167 1.0 0.61839 0.52185 0.35114 1.0000 + Sb Sb168 1.0 0.57673 0.56351 0.35114 1.0000 + Sb Sb169 1.0 0.07673 0.14685 0.35114 1.0000 + Sb Sb170 1.0 0.03506 0.18851 0.35114 1.0000 + Sb Sb171 1.0 0.99339 0.23018 0.35114 1.0000 + Sb Sb172 1.0 0.95173 0.27185 0.35114 1.0000 + Sb Sb173 1.0 0.91006 0.31351 0.35114 1.0000 + Sb Sb174 1.0 0.86839 0.35518 0.35114 1.0000 + Sb Sb175 1.0 0.82673 0.39685 0.35114 1.0000 + Sb Sb176 1.0 0.78506 0.43851 0.35114 1.0000 + Sb Sb177 1.0 0.74339 0.48018 0.35114 1.0000 + Sb Sb178 1.0 0.70173 0.52185 0.35114 1.0000 + Sb Sb179 1.0 0.66006 0.56351 0.35114 1.0000 + Sb Sb180 1.0 0.61839 0.60518 0.35114 1.0000 + Sb Sb181 1.0 0.11839 0.18851 0.35114 1.0000 + Sb Sb182 1.0 0.07673 0.23018 0.35114 1.0000 + Sb Sb183 1.0 0.03506 0.27185 0.35114 1.0000 + Sb Sb184 1.0 0.99339 0.31351 0.35114 1.0000 + Sb Sb185 1.0 0.95173 0.35518 0.35114 1.0000 + Sb Sb186 1.0 0.91006 0.39685 0.35114 1.0000 + Sb Sb187 1.0 0.86839 0.43851 0.35114 1.0000 + Sb Sb188 1.0 0.82673 0.48018 0.35114 1.0000 + Sb Sb189 1.0 0.78506 0.52185 0.35114 1.0000 + Sb Sb190 1.0 0.74339 0.56351 0.35114 1.0000 + Sb Sb191 1.0 0.70173 0.60518 0.35114 1.0000 + Sb Sb192 1.0 0.66006 0.64685 0.35114 1.0000 + Sb Sb193 1.0 0.16006 0.23018 0.35114 1.0000 + Sb Sb194 1.0 0.11839 0.27185 0.35114 1.0000 + Sb Sb195 1.0 0.07673 0.31351 0.35114 1.0000 + Sb Sb196 1.0 0.03506 0.35518 0.35114 1.0000 + Sb Sb197 1.0 0.99339 0.39685 0.35114 1.0000 + Sb Sb198 1.0 0.95173 0.43851 0.35114 1.0000 + Sb Sb199 1.0 0.91006 0.48018 0.35114 1.0000 + Sb Sb200 1.0 0.86839 0.52185 0.35114 1.0000 + Sb Sb201 1.0 0.82673 0.56351 0.35114 1.0000 + Sb Sb202 1.0 0.78506 0.60518 0.35114 1.0000 + Sb Sb203 1.0 0.74339 0.64685 0.35114 1.0000 + Sb Sb204 1.0 0.70173 0.68851 0.35114 1.0000 + Sb Sb205 1.0 0.20173 0.27185 0.35114 1.0000 + Sb Sb206 1.0 0.16006 0.31351 0.35114 1.0000 + Sb Sb207 1.0 0.11839 0.35518 0.35114 1.0000 + Sb Sb208 1.0 0.07673 0.39685 0.35114 1.0000 + Sb Sb209 1.0 0.03506 0.43851 0.35114 1.0000 + Sb Sb210 1.0 0.99339 0.48018 0.35114 1.0000 + Sb Sb211 1.0 0.95173 0.52185 0.35114 1.0000 + Sb Sb212 1.0 0.91006 0.56351 0.35114 1.0000 + Sb Sb213 1.0 0.86839 0.60518 0.35114 1.0000 + Sb Sb214 1.0 0.82673 0.64685 0.35114 1.0000 + Sb Sb215 1.0 0.78506 0.68851 0.35114 1.0000 + Sb Sb216 1.0 0.74339 0.73018 0.35114 1.0000 + Sb Sb217 1.0 0.24339 0.31351 0.35114 1.0000 + Sb Sb218 1.0 0.20173 0.35518 0.35114 1.0000 + Sb Sb219 1.0 0.16006 0.39685 0.35114 1.0000 + Sb Sb220 1.0 0.11839 0.43851 0.35114 1.0000 + Sb Sb221 1.0 0.07673 0.48018 0.35114 1.0000 + Sb Sb222 1.0 0.03506 0.52185 0.35114 1.0000 + Sb Sb223 1.0 0.99339 0.56351 0.35114 1.0000 + Sb Sb224 1.0 0.95173 0.60518 0.35114 1.0000 + Sb Sb225 1.0 0.91006 0.64685 0.35114 1.0000 + Sb Sb226 1.0 0.86839 0.68851 0.35114 1.0000 + Sb Sb227 1.0 0.82673 0.73018 0.35114 1.0000 + Sb Sb228 1.0 0.78506 0.77185 0.35114 1.0000 + Sb Sb229 1.0 0.28506 0.35518 0.35114 1.0000 + Sb Sb230 1.0 0.24339 0.39685 0.35114 1.0000 + Sb Sb231 1.0 0.20173 0.43851 0.35114 1.0000 + Sb Sb232 1.0 0.16006 0.48018 0.35114 1.0000 + Sb Sb233 1.0 0.11839 0.52185 0.35114 1.0000 + Sb Sb234 1.0 0.07673 0.56351 0.35114 1.0000 + Sb Sb235 1.0 0.03506 0.60518 0.35114 1.0000 + Sb Sb236 1.0 0.99339 0.64685 0.35114 1.0000 + Sb Sb237 1.0 0.95173 0.68851 0.35114 1.0000 + Sb Sb238 1.0 0.91006 0.73018 0.35114 1.0000 + Sb Sb239 1.0 0.86839 0.77185 0.35114 1.0000 + Sb Sb240 1.0 0.82673 0.81351 0.35114 1.0000 + Sb Sb241 1.0 0.32673 0.39685 0.35114 1.0000 + Sb Sb242 1.0 0.28506 0.43851 0.35114 1.0000 + Sb Sb243 1.0 0.24339 0.48018 0.35114 1.0000 + Sb Sb244 1.0 0.20173 0.52185 0.35114 1.0000 + Sb Sb245 1.0 0.16006 0.56351 0.35114 1.0000 + Sb Sb246 1.0 0.11839 0.60518 0.35114 1.0000 + Sb Sb247 1.0 0.07673 0.64685 0.35114 1.0000 + Sb Sb248 1.0 0.03506 0.68851 0.35114 1.0000 + Sb Sb249 1.0 0.99339 0.73018 0.35114 1.0000 + Sb Sb250 1.0 0.95173 0.77185 0.35114 1.0000 + Sb Sb251 1.0 0.91006 0.81351 0.35114 1.0000 + Sb Sb252 1.0 0.86839 0.85518 0.35114 1.0000 + Sb Sb253 1.0 0.36839 0.43851 0.35114 1.0000 + Sb Sb254 1.0 0.32673 0.48018 0.35114 1.0000 + Sb Sb255 1.0 0.28506 0.52185 0.35114 1.0000 + Sb Sb256 1.0 0.24339 0.56351 0.35114 1.0000 + Sb Sb257 1.0 0.20173 0.60518 0.35114 1.0000 + Sb Sb258 1.0 0.16006 0.64685 0.35114 1.0000 + Sb Sb259 1.0 0.11839 0.68851 0.35114 1.0000 + Sb Sb260 1.0 0.07673 0.73018 0.35114 1.0000 + Sb Sb261 1.0 0.03506 0.77185 0.35114 1.0000 + Sb Sb262 1.0 0.99339 0.81351 0.35114 1.0000 + Sb Sb263 1.0 0.95173 0.85518 0.35114 1.0000 + Sb Sb264 1.0 0.91006 0.89685 0.35114 1.0000 + Sb Sb265 1.0 0.41006 0.48018 0.35114 1.0000 + Sb Sb266 1.0 0.36839 0.52185 0.35114 1.0000 + Sb Sb267 1.0 0.32673 0.56351 0.35114 1.0000 + Sb Sb268 1.0 0.28506 0.60518 0.35114 1.0000 + Sb Sb269 1.0 0.24339 0.64685 0.35114 1.0000 + Sb Sb270 1.0 0.20173 0.68851 0.35114 1.0000 + Sb Sb271 1.0 0.16006 0.73018 0.35114 1.0000 + Sb Sb272 1.0 0.11839 0.77185 0.35114 1.0000 + Sb Sb273 1.0 0.07673 0.81351 0.35114 1.0000 + Sb Sb274 1.0 0.03506 0.85518 0.35114 1.0000 + Sb Sb275 1.0 0.99339 0.89685 0.35114 1.0000 + Sb Sb276 1.0 0.95173 0.93851 0.35114 1.0000 + Sb Sb277 1.0 0.45173 0.52185 0.35114 1.0000 + Sb Sb278 1.0 0.41006 0.56351 0.35114 1.0000 + Sb Sb279 1.0 0.36839 0.60518 0.35114 1.0000 + Sb Sb280 1.0 0.32673 0.64685 0.35114 1.0000 + Sb Sb281 1.0 0.28506 0.68851 0.35114 1.0000 + Sb Sb282 1.0 0.24339 0.73018 0.35114 1.0000 + Sb Sb283 1.0 0.20173 0.77185 0.35114 1.0000 + Sb Sb284 1.0 0.16006 0.81351 0.35114 1.0000 + Sb Sb285 1.0 0.11839 0.85518 0.35114 1.0000 + Sb Sb286 1.0 0.07673 0.89685 0.35114 1.0000 + Sb Sb287 1.0 0.03506 0.93851 0.35114 1.0000 + Sb Sb288 1.0 0.99339 0.98018 0.35114 1.0000 + Sb Sb289 1.0 0.99339 0.01982 0.35114 1.0000 + Sb Sb290 1.0 0.95173 0.06149 0.35114 1.0000 + Sb Sb291 1.0 0.91006 0.10315 0.35114 1.0000 + Sb Sb292 1.0 0.86839 0.14482 0.35114 1.0000 + Sb Sb293 1.0 0.82673 0.18649 0.35114 1.0000 + Sb Sb294 1.0 0.78506 0.22815 0.35114 1.0000 + Sb Sb295 1.0 0.74339 0.26982 0.35114 1.0000 + Sb Sb296 1.0 0.70173 0.31149 0.35114 1.0000 + Sb Sb297 1.0 0.66006 0.35315 0.35114 1.0000 + Sb Sb298 1.0 0.61839 0.39482 0.35114 1.0000 + Sb Sb299 1.0 0.57673 0.43649 0.35114 1.0000 + Sb Sb300 1.0 0.53506 0.47815 0.35114 1.0000 + Sb Sb301 1.0 0.03506 0.06149 0.35114 1.0000 + Sb Sb302 1.0 0.99339 0.10315 0.35114 1.0000 + Sb Sb303 1.0 0.95173 0.14482 0.35114 1.0000 + Sb Sb304 1.0 0.91006 0.18649 0.35114 1.0000 + Sb Sb305 1.0 0.86839 0.22815 0.35114 1.0000 + Sb Sb306 1.0 0.82673 0.26982 0.35114 1.0000 + Sb Sb307 1.0 0.78506 0.31149 0.35114 1.0000 + Sb Sb308 1.0 0.74339 0.35315 0.35114 1.0000 + Sb Sb309 1.0 0.70173 0.39482 0.35114 1.0000 + Sb Sb310 1.0 0.66006 0.43649 0.35114 1.0000 + Sb Sb311 1.0 0.61839 0.47815 0.35114 1.0000 + Sb Sb312 1.0 0.57673 0.51982 0.35114 1.0000 + Sb Sb313 1.0 0.07673 0.10315 0.35114 1.0000 + Sb Sb314 1.0 0.03506 0.14482 0.35114 1.0000 + Sb Sb315 1.0 0.99339 0.18649 0.35114 1.0000 + Sb Sb316 1.0 0.95173 0.22815 0.35114 1.0000 + Sb Sb317 1.0 0.91006 0.26982 0.35114 1.0000 + Sb Sb318 1.0 0.86839 0.31149 0.35114 1.0000 + Sb Sb319 1.0 0.82673 0.35315 0.35114 1.0000 + Sb Sb320 1.0 0.78506 0.39482 0.35114 1.0000 + Sb Sb321 1.0 0.74339 0.43649 0.35114 1.0000 + Sb Sb322 1.0 0.70173 0.47815 0.35114 1.0000 + Sb Sb323 1.0 0.66006 0.51982 0.35114 1.0000 + Sb Sb324 1.0 0.61839 0.56149 0.35114 1.0000 + Sb Sb325 1.0 0.11839 0.14482 0.35114 1.0000 + Sb Sb326 1.0 0.07673 0.18649 0.35114 1.0000 + Sb Sb327 1.0 0.03506 0.22815 0.35114 1.0000 + Sb Sb328 1.0 0.99339 0.26982 0.35114 1.0000 + Sb Sb329 1.0 0.95173 0.31149 0.35114 1.0000 + Sb Sb330 1.0 0.91006 0.35315 0.35114 1.0000 + Sb Sb331 1.0 0.86839 0.39482 0.35114 1.0000 + Sb Sb332 1.0 0.82673 0.43649 0.35114 1.0000 + Sb Sb333 1.0 0.78506 0.47815 0.35114 1.0000 + Sb Sb334 1.0 0.74339 0.51982 0.35114 1.0000 + Sb Sb335 1.0 0.70173 0.56149 0.35114 1.0000 + Sb Sb336 1.0 0.66006 0.60315 0.35114 1.0000 + Sb Sb337 1.0 0.16006 0.18649 0.35114 1.0000 + Sb Sb338 1.0 0.11839 0.22815 0.35114 1.0000 + Sb Sb339 1.0 0.07673 0.26982 0.35114 1.0000 + Sb Sb340 1.0 0.03506 0.31149 0.35114 1.0000 + Sb Sb341 1.0 0.99339 0.35315 0.35114 1.0000 + Sb Sb342 1.0 0.95173 0.39482 0.35114 1.0000 + Sb Sb343 1.0 0.91006 0.43649 0.35114 1.0000 + Sb Sb344 1.0 0.86839 0.47815 0.35114 1.0000 + Sb Sb345 1.0 0.82673 0.51982 0.35114 1.0000 + Sb Sb346 1.0 0.78506 0.56149 0.35114 1.0000 + Sb Sb347 1.0 0.74339 0.60315 0.35114 1.0000 + Sb Sb348 1.0 0.70173 0.64482 0.35114 1.0000 + Sb Sb349 1.0 0.20173 0.22815 0.35114 1.0000 + Sb Sb350 1.0 0.16006 0.26982 0.35114 1.0000 + Sb Sb351 1.0 0.11839 0.31149 0.35114 1.0000 + Sb Sb352 1.0 0.07673 0.35315 0.35114 1.0000 + Sb Sb353 1.0 0.03506 0.39482 0.35114 1.0000 + Sb Sb354 1.0 0.99339 0.43649 0.35114 1.0000 + Sb Sb355 1.0 0.95173 0.47815 0.35114 1.0000 + Sb Sb356 1.0 0.91006 0.51982 0.35114 1.0000 + Sb Sb357 1.0 0.86839 0.56149 0.35114 1.0000 + Sb Sb358 1.0 0.82673 0.60315 0.35114 1.0000 + Sb Sb359 1.0 0.78506 0.64482 0.35114 1.0000 + Sb Sb360 1.0 0.74339 0.68649 0.35114 1.0000 + Sb Sb361 1.0 0.24339 0.26982 0.35114 1.0000 + Sb Sb362 1.0 0.20173 0.31149 0.35114 1.0000 + Sb Sb363 1.0 0.16006 0.35315 0.35114 1.0000 + Sb Sb364 1.0 0.11839 0.39482 0.35114 1.0000 + Sb Sb365 1.0 0.07673 0.43649 0.35114 1.0000 + Sb Sb366 1.0 0.03506 0.47815 0.35114 1.0000 + Sb Sb367 1.0 0.99339 0.51982 0.35114 1.0000 + Sb Sb368 1.0 0.95173 0.56149 0.35114 1.0000 + Sb Sb369 1.0 0.91006 0.60315 0.35114 1.0000 + Sb Sb370 1.0 0.86839 0.64482 0.35114 1.0000 + Sb Sb371 1.0 0.82673 0.68649 0.35114 1.0000 + Sb Sb372 1.0 0.78506 0.72815 0.35114 1.0000 + Sb Sb373 1.0 0.28506 0.31149 0.35114 1.0000 + Sb Sb374 1.0 0.24339 0.35315 0.35114 1.0000 + Sb Sb375 1.0 0.20173 0.39482 0.35114 1.0000 + Sb Sb376 1.0 0.16006 0.43649 0.35114 1.0000 + Sb Sb377 1.0 0.11839 0.47815 0.35114 1.0000 + Sb Sb378 1.0 0.07673 0.51982 0.35114 1.0000 + Sb Sb379 1.0 0.03506 0.56149 0.35114 1.0000 + Sb Sb380 1.0 0.99339 0.60315 0.35114 1.0000 + Sb Sb381 1.0 0.95173 0.64482 0.35114 1.0000 + Sb Sb382 1.0 0.91006 0.68649 0.35114 1.0000 + Sb Sb383 1.0 0.86839 0.72815 0.35114 1.0000 + Sb Sb384 1.0 0.82673 0.76982 0.35114 1.0000 + Sb Sb385 1.0 0.32673 0.35315 0.35114 1.0000 + Sb Sb386 1.0 0.28506 0.39482 0.35114 1.0000 + Sb Sb387 1.0 0.24339 0.43649 0.35114 1.0000 + Sb Sb388 1.0 0.20173 0.47815 0.35114 1.0000 + Sb Sb389 1.0 0.16006 0.51982 0.35114 1.0000 + Sb Sb390 1.0 0.11839 0.56149 0.35114 1.0000 + Sb Sb391 1.0 0.07673 0.60315 0.35114 1.0000 + Sb Sb392 1.0 0.03506 0.64482 0.35114 1.0000 + Sb Sb393 1.0 0.99339 0.68649 0.35114 1.0000 + Sb Sb394 1.0 0.95173 0.72815 0.35114 1.0000 + Sb Sb395 1.0 0.91006 0.76982 0.35114 1.0000 + Sb Sb396 1.0 0.86839 0.81149 0.35114 1.0000 + Sb Sb397 1.0 0.36839 0.39482 0.35114 1.0000 + Sb Sb398 1.0 0.32673 0.43649 0.35114 1.0000 + Sb Sb399 1.0 0.28506 0.47815 0.35114 1.0000 + Sb Sb400 1.0 0.24339 0.51982 0.35114 1.0000 + Sb Sb401 1.0 0.20173 0.56149 0.35114 1.0000 + Sb Sb402 1.0 0.16006 0.60315 0.35114 1.0000 + Sb Sb403 1.0 0.11839 0.64482 0.35114 1.0000 + Sb Sb404 1.0 0.07673 0.68649 0.35114 1.0000 + Sb Sb405 1.0 0.03506 0.72815 0.35114 1.0000 + Sb Sb406 1.0 0.99339 0.76982 0.35114 1.0000 + Sb Sb407 1.0 0.95173 0.81149 0.35114 1.0000 + Sb Sb408 1.0 0.91006 0.85315 0.35114 1.0000 + Sb Sb409 1.0 0.41006 0.43649 0.35114 1.0000 + Sb Sb410 1.0 0.36839 0.47815 0.35114 1.0000 + Sb Sb411 1.0 0.32673 0.51982 0.35114 1.0000 + Sb Sb412 1.0 0.28506 0.56149 0.35114 1.0000 + Sb Sb413 1.0 0.24339 0.60315 0.35114 1.0000 + Sb Sb414 1.0 0.20173 0.64482 0.35114 1.0000 + Sb Sb415 1.0 0.16006 0.68649 0.35114 1.0000 + Sb Sb416 1.0 0.11839 0.72815 0.35114 1.0000 + Sb Sb417 1.0 0.07673 0.76982 0.35114 1.0000 + Sb Sb418 1.0 0.03506 0.81149 0.35114 1.0000 + Sb Sb419 1.0 0.99339 0.85315 0.35114 1.0000 + Sb Sb420 1.0 0.95173 0.89482 0.35114 1.0000 + Sb Sb421 1.0 0.45173 0.47815 0.35114 1.0000 + Sb Sb422 1.0 0.41006 0.51982 0.35114 1.0000 + Sb Sb423 1.0 0.36839 0.56149 0.35114 1.0000 + Sb Sb424 1.0 0.32673 0.60315 0.35114 1.0000 + Sb Sb425 1.0 0.28506 0.64482 0.35114 1.0000 + Sb Sb426 1.0 0.24339 0.68649 0.35114 1.0000 + Sb Sb427 1.0 0.20173 0.72815 0.35114 1.0000 + Sb Sb428 1.0 0.16006 0.76982 0.35114 1.0000 + Sb Sb429 1.0 0.11839 0.81149 0.35114 1.0000 + Sb Sb430 1.0 0.07673 0.85315 0.35114 1.0000 + Sb Sb431 1.0 0.03506 0.89482 0.35114 1.0000 + Sb Sb432 1.0 0.99339 0.93649 0.35114 1.0000 + Sb Sb433 1.0 0.00661 0.01982 0.64886 1.0000 + Sb Sb434 1.0 0.96494 0.06149 0.64886 1.0000 + Sb Sb435 1.0 0.92327 0.10315 0.64886 1.0000 + Sb Sb436 1.0 0.88161 0.14482 0.64886 1.0000 + Sb Sb437 1.0 0.83994 0.18649 0.64886 1.0000 + Sb Sb438 1.0 0.79827 0.22815 0.64886 1.0000 + Sb Sb439 1.0 0.75661 0.26982 0.64886 1.0000 + Sb Sb440 1.0 0.71494 0.31149 0.64886 1.0000 + Sb Sb441 1.0 0.67327 0.35315 0.64886 1.0000 + Sb Sb442 1.0 0.63161 0.39482 0.64886 1.0000 + Sb Sb443 1.0 0.58994 0.43649 0.64886 1.0000 + Sb Sb444 1.0 0.54827 0.47815 0.64886 1.0000 + Sb Sb445 1.0 0.04827 0.06149 0.64886 1.0000 + Sb Sb446 1.0 0.00661 0.10315 0.64886 1.0000 + Sb Sb447 1.0 0.96494 0.14482 0.64886 1.0000 + Sb Sb448 1.0 0.92327 0.18649 0.64886 1.0000 + Sb Sb449 1.0 0.88161 0.22815 0.64886 1.0000 + Sb Sb450 1.0 0.83994 0.26982 0.64886 1.0000 + Sb Sb451 1.0 0.79827 0.31149 0.64886 1.0000 + Sb Sb452 1.0 0.75661 0.35315 0.64886 1.0000 + Sb Sb453 1.0 0.71494 0.39482 0.64886 1.0000 + Sb Sb454 1.0 0.67327 0.43649 0.64886 1.0000 + Sb Sb455 1.0 0.63161 0.47815 0.64886 1.0000 + Sb Sb456 1.0 0.58994 0.51982 0.64886 1.0000 + Sb Sb457 1.0 0.08994 0.10315 0.64886 1.0000 + Sb Sb458 1.0 0.04827 0.14482 0.64886 1.0000 + Sb Sb459 1.0 0.00661 0.18649 0.64886 1.0000 + Sb Sb460 1.0 0.96494 0.22815 0.64886 1.0000 + Sb Sb461 1.0 0.92327 0.26982 0.64886 1.0000 + Sb Sb462 1.0 0.88161 0.31149 0.64886 1.0000 + Sb Sb463 1.0 0.83994 0.35315 0.64886 1.0000 + Sb Sb464 1.0 0.79827 0.39482 0.64886 1.0000 + Sb Sb465 1.0 0.75661 0.43649 0.64886 1.0000 + Sb Sb466 1.0 0.71494 0.47815 0.64886 1.0000 + Sb Sb467 1.0 0.67327 0.51982 0.64886 1.0000 + Sb Sb468 1.0 0.63161 0.56149 0.64886 1.0000 + Sb Sb469 1.0 0.13161 0.14482 0.64886 1.0000 + Sb Sb470 1.0 0.08994 0.18649 0.64886 1.0000 + Sb Sb471 1.0 0.04827 0.22815 0.64886 1.0000 + Sb Sb472 1.0 0.00661 0.26982 0.64886 1.0000 + Sb Sb473 1.0 0.96494 0.31149 0.64886 1.0000 + Sb Sb474 1.0 0.92327 0.35315 0.64886 1.0000 + Sb Sb475 1.0 0.88161 0.39482 0.64886 1.0000 + Sb Sb476 1.0 0.83994 0.43649 0.64886 1.0000 + Sb Sb477 1.0 0.79827 0.47815 0.64886 1.0000 + Sb Sb478 1.0 0.75661 0.51982 0.64886 1.0000 + Sb Sb479 1.0 0.71494 0.56149 0.64886 1.0000 + Sb Sb480 1.0 0.67327 0.60315 0.64886 1.0000 + Sb Sb481 1.0 0.17327 0.18649 0.64886 1.0000 + Sb Sb482 1.0 0.13161 0.22815 0.64886 1.0000 + Sb Sb483 1.0 0.08994 0.26982 0.64886 1.0000 + Sb Sb484 1.0 0.04827 0.31149 0.64886 1.0000 + Sb Sb485 1.0 0.00661 0.35315 0.64886 1.0000 + Sb Sb486 1.0 0.96494 0.39482 0.64886 1.0000 + Sb Sb487 1.0 0.92327 0.43649 0.64886 1.0000 + Sb Sb488 1.0 0.88161 0.47815 0.64886 1.0000 + Sb Sb489 1.0 0.83994 0.51982 0.64886 1.0000 + Sb Sb490 1.0 0.79827 0.56149 0.64886 1.0000 + Sb Sb491 1.0 0.75661 0.60315 0.64886 1.0000 + Sb Sb492 1.0 0.71494 0.64482 0.64886 1.0000 + Sb Sb493 1.0 0.21494 0.22815 0.64886 1.0000 + Sb Sb494 1.0 0.17327 0.26982 0.64886 1.0000 + Sb Sb495 1.0 0.13161 0.31149 0.64886 1.0000 + Sb Sb496 1.0 0.08994 0.35315 0.64886 1.0000 + Sb Sb497 1.0 0.04827 0.39482 0.64886 1.0000 + Sb Sb498 1.0 0.00661 0.43649 0.64886 1.0000 + Sb Sb499 1.0 0.96494 0.47815 0.64886 1.0000 + Sb Sb500 1.0 0.92327 0.51982 0.64886 1.0000 + Sb Sb501 1.0 0.88161 0.56149 0.64886 1.0000 + Sb Sb502 1.0 0.83994 0.60315 0.64886 1.0000 + Sb Sb503 1.0 0.79827 0.64482 0.64886 1.0000 + Sb Sb504 1.0 0.75661 0.68649 0.64886 1.0000 + Sb Sb505 1.0 0.25661 0.26982 0.64886 1.0000 + Sb Sb506 1.0 0.21494 0.31149 0.64886 1.0000 + Sb Sb507 1.0 0.17327 0.35315 0.64886 1.0000 + Sb Sb508 1.0 0.13161 0.39482 0.64886 1.0000 + Sb Sb509 1.0 0.08994 0.43649 0.64886 1.0000 + Sb Sb510 1.0 0.04827 0.47815 0.64886 1.0000 + Sb Sb511 1.0 0.00661 0.51982 0.64886 1.0000 + Sb Sb512 1.0 0.96494 0.56149 0.64886 1.0000 + Sb Sb513 1.0 0.92327 0.60315 0.64886 1.0000 + Sb Sb514 1.0 0.88161 0.64482 0.64886 1.0000 + Sb Sb515 1.0 0.83994 0.68649 0.64886 1.0000 + Sb Sb516 1.0 0.79827 0.72815 0.64886 1.0000 + 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Sb Sb777 1.0 0.86179 0.54167 0.64886 1.0000 + Sb Sb778 1.0 0.82012 0.58333 0.64886 1.0000 + Sb Sb779 1.0 0.77845 0.62500 0.64886 1.0000 + Sb Sb780 1.0 0.73679 0.66667 0.64886 1.0000 + Sb Sb781 1.0 0.23679 0.25000 0.64886 1.0000 + Sb Sb782 1.0 0.19512 0.29167 0.64886 1.0000 + Sb Sb783 1.0 0.15345 0.33333 0.64886 1.0000 + Sb Sb784 1.0 0.11179 0.37500 0.64886 1.0000 + Sb Sb785 1.0 0.07012 0.41667 0.64886 1.0000 + Sb Sb786 1.0 0.02845 0.45833 0.64886 1.0000 + Sb Sb787 1.0 0.98679 0.50000 0.64886 1.0000 + Sb Sb788 1.0 0.94512 0.54167 0.64886 1.0000 + Sb Sb789 1.0 0.90345 0.58333 0.64886 1.0000 + Sb Sb790 1.0 0.86179 0.62500 0.64886 1.0000 + Sb Sb791 1.0 0.82012 0.66667 0.64886 1.0000 + Sb Sb792 1.0 0.77845 0.70833 0.64886 1.0000 + Sb Sb793 1.0 0.27845 0.29167 0.64886 1.0000 + Sb Sb794 1.0 0.23679 0.33333 0.64886 1.0000 + Sb Sb795 1.0 0.19512 0.37500 0.64886 1.0000 + Sb Sb796 1.0 0.15345 0.41667 0.64886 1.0000 + Sb Sb797 1.0 0.11179 0.45833 0.64886 1.0000 + Sb Sb798 1.0 0.07012 0.50000 0.64886 1.0000 + Sb Sb799 1.0 0.02845 0.54167 0.64886 1.0000 + Sb Sb800 1.0 0.98679 0.58333 0.64886 1.0000 + Sb Sb801 1.0 0.94512 0.62500 0.64886 1.0000 + Sb Sb802 1.0 0.90345 0.66667 0.64886 1.0000 + Sb Sb803 1.0 0.86179 0.70833 0.64886 1.0000 + Sb Sb804 1.0 0.82012 0.75000 0.64886 1.0000 + Sb Sb805 1.0 0.32012 0.33333 0.64886 1.0000 + Sb Sb806 1.0 0.27845 0.37500 0.64886 1.0000 + Sb Sb807 1.0 0.23679 0.41667 0.64886 1.0000 + Sb Sb808 1.0 0.19512 0.45833 0.64886 1.0000 + Sb Sb809 1.0 0.15345 0.50000 0.64886 1.0000 + Sb Sb810 1.0 0.11179 0.54167 0.64886 1.0000 + Sb Sb811 1.0 0.07012 0.58333 0.64886 1.0000 + Sb Sb812 1.0 0.02845 0.62500 0.64886 1.0000 + Sb Sb813 1.0 0.98679 0.66667 0.64886 1.0000 + Sb Sb814 1.0 0.94512 0.70833 0.64886 1.0000 + Sb Sb815 1.0 0.90345 0.75000 0.64886 1.0000 + Sb Sb816 1.0 0.86179 0.79167 0.64886 1.0000 + Sb Sb817 1.0 0.36179 0.37500 0.64886 1.0000 + Sb Sb818 1.0 0.32012 0.41667 0.64886 1.0000 + Sb Sb819 1.0 0.27845 0.45833 0.64886 1.0000 + Sb Sb820 1.0 0.23679 0.50000 0.64886 1.0000 + Sb Sb821 1.0 0.19512 0.54167 0.64886 1.0000 + Sb Sb822 1.0 0.15345 0.58333 0.64886 1.0000 + Sb Sb823 1.0 0.11179 0.62500 0.64886 1.0000 + Sb Sb824 1.0 0.07012 0.66667 0.64886 1.0000 + Sb Sb825 1.0 0.02845 0.70833 0.64886 1.0000 + Sb Sb826 1.0 0.98679 0.75000 0.64886 1.0000 + Sb Sb827 1.0 0.94512 0.79167 0.64886 1.0000 + Sb Sb828 1.0 0.90345 0.83333 0.64886 1.0000 + Sb Sb829 1.0 0.40345 0.41667 0.64886 1.0000 + Sb Sb830 1.0 0.36179 0.45833 0.64886 1.0000 + Sb Sb831 1.0 0.32012 0.50000 0.64886 1.0000 + Sb Sb832 1.0 0.27845 0.54167 0.64886 1.0000 + Sb Sb833 1.0 0.23679 0.58333 0.64886 1.0000 + Sb Sb834 1.0 0.19512 0.62500 0.64886 1.0000 + Sb Sb835 1.0 0.15345 0.66667 0.64886 1.0000 + Sb Sb836 1.0 0.11179 0.70833 0.64886 1.0000 + Sb Sb837 1.0 0.07012 0.75000 0.64886 1.0000 + Sb Sb838 1.0 0.02845 0.79167 0.64886 1.0000 + Sb Sb839 1.0 0.98679 0.83333 0.64886 1.0000 + Sb Sb840 1.0 0.94512 0.87500 0.64886 1.0000 + Sb Sb841 1.0 0.44512 0.45833 0.64886 1.0000 + Sb Sb842 1.0 0.40345 0.50000 0.64886 1.0000 + Sb Sb843 1.0 0.36179 0.54167 0.64886 1.0000 + Sb Sb844 1.0 0.32012 0.58333 0.64886 1.0000 + Sb Sb845 1.0 0.27845 0.62500 0.64886 1.0000 + Sb Sb846 1.0 0.23679 0.66667 0.64886 1.0000 + Sb Sb847 1.0 0.19512 0.70833 0.64886 1.0000 + Sb Sb848 1.0 0.15345 0.75000 0.64886 1.0000 + Sb Sb849 1.0 0.11179 0.79167 0.64886 1.0000 + Sb Sb850 1.0 0.07012 0.83333 0.64886 1.0000 + Sb Sb851 1.0 0.02845 0.87500 0.64886 1.0000 + Sb Sb852 1.0 0.98679 0.91667 0.64886 1.0000 + Sb Sb853 1.0 0.48679 0.50000 0.64886 1.0000 + Sb Sb854 1.0 0.44512 0.54167 0.64886 1.0000 + Sb Sb855 1.0 0.40345 0.58333 0.64886 1.0000 + Sb Sb856 1.0 0.36179 0.62500 0.64886 1.0000 + Sb Sb857 1.0 0.32012 0.66667 0.64886 1.0000 + Sb Sb858 1.0 0.27845 0.70833 0.64886 1.0000 + Sb Sb859 1.0 0.23679 0.75000 0.64886 1.0000 + Sb Sb860 1.0 0.19512 0.79167 0.64886 1.0000 + Sb Sb861 1.0 0.15345 0.83333 0.64886 1.0000 + Sb Sb862 1.0 0.11179 0.87500 0.64886 1.0000 + Sb Sb863 1.0 0.07012 0.91667 0.64886 1.0000 + Sb Sb864 1.0 0.02845 0.95833 0.64886 1.0000 + Ga Ga289 1.0 0.48611 0.54167 0.47847 1.0000 + Ga Ga290 1.0 0.44444 0.58333 0.47847 1.0000 + Ga Ga291 1.0 0.40278 0.62500 0.47847 1.0000 + Ga Ga292 1.0 0.36111 0.66667 0.47847 1.0000 + Ga Ga293 1.0 0.31944 0.70833 0.47847 1.0000 + Ga Ga294 1.0 0.27778 0.75000 0.47847 1.0000 + Ga Ga295 1.0 0.23611 0.79167 0.47847 1.0000 + Ga Ga296 1.0 0.19444 0.83333 0.47847 1.0000 + Ga Ga297 1.0 0.15278 0.87500 0.47847 1.0000 + Ga Ga298 1.0 0.11111 0.91667 0.47847 1.0000 + Ga Ga299 1.0 0.06944 0.95833 0.47847 1.0000 + Ga Ga300 1.0 0.02778 0.00000 0.47847 1.0000 + Ga Ga301 1.0 0.52778 0.58333 0.47847 1.0000 + Ga Ga302 1.0 0.48611 0.62500 0.47847 1.0000 + Ga Ga303 1.0 0.44444 0.66667 0.47847 1.0000 + Ga Ga304 1.0 0.40278 0.70833 0.47847 1.0000 + Ga Ga305 1.0 0.36111 0.75000 0.47847 1.0000 + Ga Ga306 1.0 0.31944 0.79167 0.47847 1.0000 + Ga Ga307 1.0 0.27778 0.83333 0.47847 1.0000 + Ga Ga308 1.0 0.23611 0.87500 0.47847 1.0000 + Ga Ga309 1.0 0.19444 0.91667 0.47847 1.0000 + Ga Ga310 1.0 0.15278 0.95833 0.47847 1.0000 + Ga Ga311 1.0 0.11111 0.00000 0.47847 1.0000 + Ga Ga312 1.0 0.06944 0.04167 0.47847 1.0000 + Ga Ga313 1.0 0.56944 0.62500 0.47847 1.0000 + Ga Ga314 1.0 0.52778 0.66667 0.47847 1.0000 + Ga Ga315 1.0 0.48611 0.70833 0.47847 1.0000 + Ga Ga316 1.0 0.44444 0.75000 0.47847 1.0000 + Ga Ga317 1.0 0.40278 0.79167 0.47847 1.0000 + Ga Ga318 1.0 0.36111 0.83333 0.47847 1.0000 + Ga Ga319 1.0 0.31944 0.87500 0.47847 1.0000 + Ga Ga320 1.0 0.27778 0.91667 0.47847 1.0000 + Ga Ga321 1.0 0.23611 0.95833 0.47847 1.0000 + Ga Ga322 1.0 0.19444 1.00000 0.47847 1.0000 + Ga Ga323 1.0 0.15278 0.04167 0.47847 1.0000 + Ga Ga324 1.0 0.11111 0.08333 0.47847 1.0000 + Ga Ga325 1.0 0.61111 0.66667 0.47847 1.0000 + Ga Ga326 1.0 0.56944 0.70833 0.47847 1.0000 + Ga Ga327 1.0 0.52778 0.75000 0.47847 1.0000 + Ga Ga328 1.0 0.48611 0.79167 0.47847 1.0000 + Ga Ga329 1.0 0.44444 0.83333 0.47847 1.0000 + Ga Ga330 1.0 0.40278 0.87500 0.47847 1.0000 + Ga Ga331 1.0 0.36111 0.91667 0.47847 1.0000 + Ga Ga332 1.0 0.31944 0.95833 0.47847 1.0000 + Ga Ga333 1.0 0.27778 0.00000 0.47847 1.0000 + Ga Ga334 1.0 0.23611 0.04167 0.47847 1.0000 + Ga Ga335 1.0 0.19444 0.08333 0.47847 1.0000 + Ga Ga336 1.0 0.15278 0.12500 0.47847 1.0000 + Ga Ga337 1.0 0.65278 0.70833 0.47847 1.0000 + Ga Ga338 1.0 0.61111 0.75000 0.47847 1.0000 + Ga Ga339 1.0 0.56944 0.79167 0.47847 1.0000 + Ga Ga340 1.0 0.52778 0.83333 0.47847 1.0000 + Ga Ga341 1.0 0.48611 0.87500 0.47847 1.0000 + Ga Ga342 1.0 0.44444 0.91667 0.47847 1.0000 + Ga Ga343 1.0 0.40278 0.95833 0.47847 1.0000 + Ga Ga344 1.0 0.36111 0.00000 0.47847 1.0000 + Ga Ga345 1.0 0.31944 0.04167 0.47847 1.0000 + Ga Ga346 1.0 0.27778 0.08333 0.47847 1.0000 + Ga Ga347 1.0 0.23611 0.12500 0.47847 1.0000 + Ga Ga348 1.0 0.19444 0.16667 0.47847 1.0000 + Ga Ga349 1.0 0.69444 0.75000 0.47847 1.0000 + Ga Ga350 1.0 0.65278 0.79167 0.47847 1.0000 + Ga Ga351 1.0 0.61111 0.83333 0.47847 1.0000 + Ga Ga352 1.0 0.56944 0.87500 0.47847 1.0000 + Ga Ga353 1.0 0.52778 0.91667 0.47847 1.0000 + Ga Ga354 1.0 0.48611 0.95833 0.47847 1.0000 + Ga Ga355 1.0 0.44444 1.00000 0.47847 1.0000 + Ga Ga356 1.0 0.40278 0.04167 0.47847 1.0000 + Ga Ga357 1.0 0.36111 0.08333 0.47847 1.0000 + Ga Ga358 1.0 0.31944 0.12500 0.47847 1.0000 + Ga Ga359 1.0 0.27778 0.16667 0.47847 1.0000 + Ga Ga360 1.0 0.23611 0.20833 0.47847 1.0000 + Ga Ga361 1.0 0.73611 0.79167 0.47847 1.0000 + Ga Ga362 1.0 0.69444 0.83333 0.47847 1.0000 + Ga Ga363 1.0 0.65278 0.87500 0.47847 1.0000 + Ga Ga364 1.0 0.61111 0.91667 0.47847 1.0000 + Ga Ga365 1.0 0.56944 0.95833 0.47847 1.0000 + Ga Ga366 1.0 0.52778 0.00000 0.47847 1.0000 + Ga Ga367 1.0 0.48611 0.04167 0.47847 1.0000 + Ga Ga368 1.0 0.44444 0.08333 0.47847 1.0000 + Ga Ga369 1.0 0.40278 0.12500 0.47847 1.0000 + Ga Ga370 1.0 0.36111 0.16667 0.47847 1.0000 + Ga Ga371 1.0 0.31944 0.20833 0.47847 1.0000 + Ga Ga372 1.0 0.27778 0.25000 0.47847 1.0000 + Ga Ga373 1.0 0.77778 0.83333 0.47847 1.0000 + Ga Ga374 1.0 0.73611 0.87500 0.47847 1.0000 + Ga Ga375 1.0 0.69444 0.91667 0.47847 1.0000 + Ga Ga376 1.0 0.65278 0.95833 0.47847 1.0000 + Ga Ga377 1.0 0.61111 1.00000 0.47847 1.0000 + Ga Ga378 1.0 0.56944 0.04167 0.47847 1.0000 + Ga Ga379 1.0 0.52778 0.08333 0.47847 1.0000 + Ga Ga380 1.0 0.48611 0.12500 0.47847 1.0000 + Ga Ga381 1.0 0.44444 0.16667 0.47847 1.0000 + Ga Ga382 1.0 0.40278 0.20833 0.47847 1.0000 + Ga Ga383 1.0 0.36111 0.25000 0.47847 1.0000 + Ga Ga384 1.0 0.31944 0.29167 0.47847 1.0000 + Ga Ga385 1.0 0.81944 0.87500 0.47847 1.0000 + Ga Ga386 1.0 0.77778 0.91667 0.47847 1.0000 + Ga Ga387 1.0 0.73611 0.95833 0.47847 1.0000 + Ga Ga388 1.0 0.69444 1.00000 0.47847 1.0000 + Ga Ga389 1.0 0.65278 0.04167 0.47847 1.0000 + Ga Ga390 1.0 0.61111 0.08333 0.47847 1.0000 + Ga Ga391 1.0 0.56944 0.12500 0.47847 1.0000 + Ga Ga392 1.0 0.52778 0.16667 0.47847 1.0000 + Ga Ga393 1.0 0.48611 0.20833 0.47847 1.0000 + Ga Ga394 1.0 0.44444 0.25000 0.47847 1.0000 + Ga Ga395 1.0 0.40278 0.29167 0.47847 1.0000 + Ga Ga396 1.0 0.36111 0.33333 0.47847 1.0000 + Ga Ga397 1.0 0.86111 0.91667 0.47847 1.0000 + Ga Ga398 1.0 0.81944 0.95833 0.47847 1.0000 + Ga Ga399 1.0 0.77778 1.00000 0.47847 1.0000 + Ga Ga400 1.0 0.73611 0.04167 0.47847 1.0000 + Ga Ga401 1.0 0.69444 0.08333 0.47847 1.0000 + Ga Ga402 1.0 0.65278 0.12500 0.47847 1.0000 + Ga Ga403 1.0 0.61111 0.16667 0.47847 1.0000 + Ga Ga404 1.0 0.56944 0.20833 0.47847 1.0000 + Ga Ga405 1.0 0.52778 0.25000 0.47847 1.0000 + Ga Ga406 1.0 0.48611 0.29167 0.47847 1.0000 + Ga Ga407 1.0 0.44444 0.33333 0.47847 1.0000 + Ga Ga408 1.0 0.40278 0.37500 0.47847 1.0000 + Ga Ga409 1.0 0.90278 0.95833 0.47847 1.0000 + Ga Ga410 1.0 0.86111 1.00000 0.47847 1.0000 + Ga Ga411 1.0 0.81944 0.04167 0.47847 1.0000 + Ga Ga412 1.0 0.77778 0.08333 0.47847 1.0000 + Ga Ga413 1.0 0.73611 0.12500 0.47847 1.0000 + Ga Ga414 1.0 0.69444 0.16667 0.47847 1.0000 + Ga Ga415 1.0 0.65278 0.20833 0.47847 1.0000 + Ga Ga416 1.0 0.61111 0.25000 0.47847 1.0000 + Ga Ga417 1.0 0.56944 0.29167 0.47847 1.0000 + Ga Ga418 1.0 0.52778 0.33333 0.47847 1.0000 + Ga Ga419 1.0 0.48611 0.37500 0.47847 1.0000 + Ga Ga420 1.0 0.44444 0.41667 0.47847 1.0000 + Ga Ga421 1.0 0.94444 0.00000 0.47847 1.0000 + Ga Ga422 1.0 0.90278 0.04167 0.47847 1.0000 + Ga Ga423 1.0 0.86111 0.08333 0.47847 1.0000 + Ga Ga424 1.0 0.81944 0.12500 0.47847 1.0000 + Ga Ga425 1.0 0.77778 0.16667 0.47847 1.0000 + Ga Ga426 1.0 0.73611 0.20833 0.47847 1.0000 + Ga Ga427 1.0 0.69444 0.25000 0.47847 1.0000 + Ga Ga428 1.0 0.65278 0.29167 0.47847 1.0000 + Ga Ga429 1.0 0.61111 0.33333 0.47847 1.0000 + Ga Ga430 1.0 0.56944 0.37500 0.47847 1.0000 + Ga Ga431 1.0 0.52778 0.41667 0.47847 1.0000 + Ga Ga432 1.0 0.48611 0.45833 0.47847 1.0000 + Ga Ga433 1.0 0.51389 0.54167 0.52153 1.0000 + Ga Ga434 1.0 0.47222 0.58333 0.52153 1.0000 + Ga Ga435 1.0 0.43056 0.62500 0.52153 1.0000 + Ga Ga436 1.0 0.38889 0.66667 0.52153 1.0000 + Ga Ga437 1.0 0.34722 0.70833 0.52153 1.0000 + Ga Ga438 1.0 0.30556 0.75000 0.52153 1.0000 + Ga Ga439 1.0 0.26389 0.79167 0.52153 1.0000 + Ga Ga440 1.0 0.22222 0.83333 0.52153 1.0000 + Ga Ga441 1.0 0.18056 0.87500 0.52153 1.0000 + Ga Ga442 1.0 0.13889 0.91667 0.52153 1.0000 + Ga Ga443 1.0 0.09722 0.95833 0.52153 1.0000 + Ga Ga444 1.0 0.05556 1.00000 0.52153 1.0000 + Ga Ga445 1.0 0.55556 0.58333 0.52153 1.0000 + Ga Ga446 1.0 0.51389 0.62500 0.52153 1.0000 + Ga Ga447 1.0 0.47222 0.66667 0.52153 1.0000 + Ga Ga448 1.0 0.43056 0.70833 0.52153 1.0000 + Ga Ga449 1.0 0.38889 0.75000 0.52153 1.0000 + Ga Ga450 1.0 0.34722 0.79167 0.52153 1.0000 + Ga Ga451 1.0 0.30556 0.83333 0.52153 1.0000 + Ga Ga452 1.0 0.26389 0.87500 0.52153 1.0000 + Ga Ga453 1.0 0.22222 0.91667 0.52153 1.0000 + Ga Ga454 1.0 0.18056 0.95833 0.52153 1.0000 + Ga Ga455 1.0 0.13889 0.00000 0.52153 1.0000 + Ga Ga456 1.0 0.09722 0.04167 0.52153 1.0000 + Ga Ga457 1.0 0.59722 0.62500 0.52153 1.0000 + Ga Ga458 1.0 0.55556 0.66667 0.52153 1.0000 + Ga Ga459 1.0 0.51389 0.70833 0.52153 1.0000 + Ga Ga460 1.0 0.47222 0.75000 0.52153 1.0000 + Ga Ga461 1.0 0.43056 0.79167 0.52153 1.0000 + Ga Ga462 1.0 0.38889 0.83333 0.52153 1.0000 + Ga Ga463 1.0 0.34722 0.87500 0.52153 1.0000 + Ga Ga464 1.0 0.30556 0.91667 0.52153 1.0000 + Ga Ga465 1.0 0.26389 0.95833 0.52153 1.0000 + Ga Ga466 1.0 0.22222 1.00000 0.52153 1.0000 + Ga Ga467 1.0 0.18056 0.04167 0.52153 1.0000 + Ga Ga468 1.0 0.13889 0.08333 0.52153 1.0000 + Ga Ga469 1.0 0.63889 0.66667 0.52153 1.0000 + Ga Ga470 1.0 0.59722 0.70833 0.52153 1.0000 + Ga Ga471 1.0 0.55556 0.75000 0.52153 1.0000 + Ga Ga472 1.0 0.51389 0.79167 0.52153 1.0000 + Ga Ga473 1.0 0.47222 0.83333 0.52153 1.0000 + Ga Ga474 1.0 0.43056 0.87500 0.52153 1.0000 + Ga Ga475 1.0 0.38889 0.91667 0.52153 1.0000 + Ga Ga476 1.0 0.34722 0.95833 0.52153 1.0000 + Ga Ga477 1.0 0.30556 0.00000 0.52153 1.0000 + Ga Ga478 1.0 0.26389 0.04167 0.52153 1.0000 + Ga Ga479 1.0 0.22222 0.08333 0.52153 1.0000 + Ga Ga480 1.0 0.18056 0.12500 0.52153 1.0000 + Ga Ga481 1.0 0.68056 0.70833 0.52153 1.0000 + Ga Ga482 1.0 0.63889 0.75000 0.52153 1.0000 + Ga Ga483 1.0 0.59722 0.79167 0.52153 1.0000 + Ga Ga484 1.0 0.55556 0.83333 0.52153 1.0000 + Ga Ga485 1.0 0.51389 0.87500 0.52153 1.0000 + Ga Ga486 1.0 0.47222 0.91667 0.52153 1.0000 + Ga Ga487 1.0 0.43056 0.95833 0.52153 1.0000 + Ga Ga488 1.0 0.38889 1.00000 0.52153 1.0000 + Ga Ga489 1.0 0.34722 0.04167 0.52153 1.0000 + Ga Ga490 1.0 0.30556 0.08333 0.52153 1.0000 + Ga Ga491 1.0 0.26389 0.12500 0.52153 1.0000 + Ga Ga492 1.0 0.22222 0.16667 0.52153 1.0000 + Ga Ga493 1.0 0.72222 0.75000 0.52153 1.0000 + Ga Ga494 1.0 0.68056 0.79167 0.52153 1.0000 + Ga Ga495 1.0 0.63889 0.83333 0.52153 1.0000 + Ga Ga496 1.0 0.59722 0.87500 0.52153 1.0000 + Ga Ga497 1.0 0.55556 0.91667 0.52153 1.0000 + Ga Ga498 1.0 0.51389 0.95833 0.52153 1.0000 + Ga Ga499 1.0 0.47222 1.00000 0.52153 1.0000 + Ga Ga500 1.0 0.43056 0.04167 0.52153 1.0000 + Ga Ga501 1.0 0.38889 0.08333 0.52153 1.0000 + Ga Ga502 1.0 0.34722 0.12500 0.52153 1.0000 + Ga Ga503 1.0 0.30556 0.16667 0.52153 1.0000 + Ga Ga504 1.0 0.26389 0.20833 0.52153 1.0000 + Ga Ga505 1.0 0.76389 0.79167 0.52153 1.0000 + Ga Ga506 1.0 0.72222 0.83333 0.52153 1.0000 + Ga Ga507 1.0 0.68056 0.87500 0.52153 1.0000 + Ga Ga508 1.0 0.63889 0.91667 0.52153 1.0000 + Ga Ga509 1.0 0.59722 0.95833 0.52153 1.0000 + Ga Ga510 1.0 0.55556 1.00000 0.52153 1.0000 + Ga Ga511 1.0 0.51389 0.04167 0.52153 1.0000 + Ga Ga512 1.0 0.47222 0.08333 0.52153 1.0000 + Ga Ga513 1.0 0.43056 0.12500 0.52153 1.0000 + Ga Ga514 1.0 0.38889 0.16667 0.52153 1.0000 + Ga Ga515 1.0 0.34722 0.20833 0.52153 1.0000 + Ga Ga516 1.0 0.30556 0.25000 0.52153 1.0000 + Ga Ga517 1.0 0.80556 0.83333 0.52153 1.0000 + Ga Ga518 1.0 0.76389 0.87500 0.52153 1.0000 + Ga Ga519 1.0 0.72222 0.91667 0.52153 1.0000 + Ga Ga520 1.0 0.68056 0.95833 0.52153 1.0000 + Ga Ga521 1.0 0.63889 0.00000 0.52153 1.0000 + Ga Ga522 1.0 0.59722 0.04167 0.52153 1.0000 + Ga Ga523 1.0 0.55556 0.08333 0.52153 1.0000 + Ga Ga524 1.0 0.51389 0.12500 0.52153 1.0000 + Ga Ga525 1.0 0.47222 0.16667 0.52153 1.0000 + Ga Ga526 1.0 0.43056 0.20833 0.52153 1.0000 + Ga Ga527 1.0 0.38889 0.25000 0.52153 1.0000 + Ga Ga528 1.0 0.34722 0.29167 0.52153 1.0000 + Ga Ga529 1.0 0.84722 0.87500 0.52153 1.0000 + Ga Ga530 1.0 0.80556 0.91667 0.52153 1.0000 + Ga Ga531 1.0 0.76389 0.95833 0.52153 1.0000 + Ga Ga532 1.0 0.72222 0.00000 0.52153 1.0000 + Ga Ga533 1.0 0.68056 0.04167 0.52153 1.0000 + Ga Ga534 1.0 0.63889 0.08333 0.52153 1.0000 + Ga Ga535 1.0 0.59722 0.12500 0.52153 1.0000 + Ga Ga536 1.0 0.55556 0.16667 0.52153 1.0000 + Ga Ga537 1.0 0.51389 0.20833 0.52153 1.0000 + Ga Ga538 1.0 0.47222 0.25000 0.52153 1.0000 + Ga Ga539 1.0 0.43056 0.29167 0.52153 1.0000 + Ga Ga540 1.0 0.38889 0.33333 0.52153 1.0000 + Ga Ga541 1.0 0.88889 0.91667 0.52153 1.0000 + Ga Ga542 1.0 0.84722 0.95833 0.52153 1.0000 + Ga Ga543 1.0 0.80556 1.00000 0.52153 1.0000 + Ga Ga544 1.0 0.76389 0.04167 0.52153 1.0000 + Ga Ga545 1.0 0.72222 0.08333 0.52153 1.0000 + Ga Ga546 1.0 0.68056 0.12500 0.52153 1.0000 + Ga Ga547 1.0 0.63889 0.16667 0.52153 1.0000 + Ga Ga548 1.0 0.59722 0.20833 0.52153 1.0000 + Ga Ga549 1.0 0.55556 0.25000 0.52153 1.0000 + Ga Ga550 1.0 0.51389 0.29167 0.52153 1.0000 + Ga Ga551 1.0 0.47222 0.33333 0.52153 1.0000 + Ga Ga552 1.0 0.43056 0.37500 0.52153 1.0000 + Ga Ga553 1.0 0.93056 0.95833 0.52153 1.0000 + Ga Ga554 1.0 0.88889 1.00000 0.52153 1.0000 + Ga Ga555 1.0 0.84722 0.04167 0.52153 1.0000 + Ga Ga556 1.0 0.80556 0.08333 0.52153 1.0000 + Ga Ga557 1.0 0.76389 0.12500 0.52153 1.0000 + Ga Ga558 1.0 0.72222 0.16667 0.52153 1.0000 + Ga Ga559 1.0 0.68056 0.20833 0.52153 1.0000 + Ga Ga560 1.0 0.63889 0.25000 0.52153 1.0000 + Ga Ga561 1.0 0.59722 0.29167 0.52153 1.0000 + Ga Ga562 1.0 0.55556 0.33333 0.52153 1.0000 + Ga Ga563 1.0 0.51389 0.37500 0.52153 1.0000 + Ga Ga564 1.0 0.47222 0.41667 0.52153 1.0000 + Ga Ga565 1.0 0.97222 0.00000 0.52153 1.0000 + Ga Ga566 1.0 0.93056 0.04167 0.52153 1.0000 + Ga Ga567 1.0 0.88889 0.08333 0.52153 1.0000 + Ga Ga568 1.0 0.84722 0.12500 0.52153 1.0000 + Ga Ga569 1.0 0.80556 0.16667 0.52153 1.0000 + Ga Ga570 1.0 0.76389 0.20833 0.52153 1.0000 + Ga Ga571 1.0 0.72222 0.25000 0.52153 1.0000 + Ga Ga572 1.0 0.68056 0.29167 0.52153 1.0000 + Ga Ga573 1.0 0.63889 0.33333 0.52153 1.0000 + Ga Ga574 1.0 0.59722 0.37500 0.52153 1.0000 + Ga Ga575 1.0 0.55556 0.41667 0.52153 1.0000 + Ga Ga576 1.0 0.51389 0.45833 0.52153 1.0000 + Sb Sb865 1.0 0.47155 0.54167 0.35114 1.0000 + Sb Sb866 1.0 0.42988 0.58333 0.35114 1.0000 + Sb Sb867 1.0 0.38821 0.62500 0.35114 1.0000 + Sb Sb868 1.0 0.34655 0.66667 0.35114 1.0000 + Sb Sb869 1.0 0.30488 0.70833 0.35114 1.0000 + Sb Sb870 1.0 0.26321 0.75000 0.35114 1.0000 + Sb Sb871 1.0 0.22155 0.79167 0.35114 1.0000 + Sb Sb872 1.0 0.17988 0.83333 0.35114 1.0000 + Sb Sb873 1.0 0.13821 0.87500 0.35114 1.0000 + Sb Sb874 1.0 0.09655 0.91667 0.35114 1.0000 + Sb Sb875 1.0 0.05488 0.95833 0.35114 1.0000 + Sb Sb876 1.0 0.01321 1.00000 0.35114 1.0000 + Sb Sb877 1.0 0.51321 0.58333 0.35114 1.0000 + Sb Sb878 1.0 0.47155 0.62500 0.35114 1.0000 + Sb Sb879 1.0 0.42988 0.66667 0.35114 1.0000 + Sb Sb880 1.0 0.38821 0.70833 0.35114 1.0000 + Sb Sb881 1.0 0.34655 0.75000 0.35114 1.0000 + Sb Sb882 1.0 0.30488 0.79167 0.35114 1.0000 + Sb Sb883 1.0 0.26321 0.83333 0.35114 1.0000 + Sb Sb884 1.0 0.22155 0.87500 0.35114 1.0000 + Sb Sb885 1.0 0.17988 0.91667 0.35114 1.0000 + Sb Sb886 1.0 0.13821 0.95833 0.35114 1.0000 + Sb Sb887 1.0 0.09655 0.00000 0.35114 1.0000 + Sb Sb888 1.0 0.05488 0.04167 0.35114 1.0000 + Sb Sb889 1.0 0.55488 0.62500 0.35114 1.0000 + Sb Sb890 1.0 0.51321 0.66667 0.35114 1.0000 + Sb Sb891 1.0 0.47155 0.70833 0.35114 1.0000 + Sb Sb892 1.0 0.42988 0.75000 0.35114 1.0000 + Sb Sb893 1.0 0.38821 0.79167 0.35114 1.0000 + Sb Sb894 1.0 0.34655 0.83333 0.35114 1.0000 + Sb Sb895 1.0 0.30488 0.87500 0.35114 1.0000 + Sb Sb896 1.0 0.26321 0.91667 0.35114 1.0000 + Sb Sb897 1.0 0.22155 0.95833 0.35114 1.0000 + Sb Sb898 1.0 0.17988 1.00000 0.35114 1.0000 + Sb Sb899 1.0 0.13821 0.04167 0.35114 1.0000 + Sb Sb900 1.0 0.09655 0.08333 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0.26321 0.08333 0.35114 1.0000 + Sb Sb923 1.0 0.22155 0.12500 0.35114 1.0000 + Sb Sb924 1.0 0.17988 0.16667 0.35114 1.0000 + Sb Sb925 1.0 0.67988 0.75000 0.35114 1.0000 + Sb Sb926 1.0 0.63821 0.79167 0.35114 1.0000 + Sb Sb927 1.0 0.59655 0.83333 0.35114 1.0000 + Sb Sb928 1.0 0.55488 0.87500 0.35114 1.0000 + Sb Sb929 1.0 0.51321 0.91667 0.35114 1.0000 + Sb Sb930 1.0 0.47155 0.95833 0.35114 1.0000 + Sb Sb931 1.0 0.42988 0.00000 0.35114 1.0000 + Sb Sb932 1.0 0.38821 0.04167 0.35114 1.0000 + Sb Sb933 1.0 0.34655 0.08333 0.35114 1.0000 + Sb Sb934 1.0 0.30488 0.12500 0.35114 1.0000 + Sb Sb935 1.0 0.26321 0.16667 0.35114 1.0000 + Sb Sb936 1.0 0.22155 0.20833 0.35114 1.0000 + Sb Sb937 1.0 0.72155 0.79167 0.35114 1.0000 + Sb Sb938 1.0 0.67988 0.83333 0.35114 1.0000 + Sb Sb939 1.0 0.63821 0.87500 0.35114 1.0000 + Sb Sb940 1.0 0.59655 0.91667 0.35114 1.0000 + Sb Sb941 1.0 0.55488 0.95833 0.35114 1.0000 + Sb Sb942 1.0 0.51321 0.00000 0.35114 1.0000 + Sb Sb943 1.0 0.47155 0.04167 0.35114 1.0000 + Sb Sb944 1.0 0.42988 0.08333 0.35114 1.0000 + Sb Sb945 1.0 0.38821 0.12500 0.35114 1.0000 + Sb Sb946 1.0 0.34655 0.16667 0.35114 1.0000 + Sb Sb947 1.0 0.30488 0.20833 0.35114 1.0000 + Sb Sb948 1.0 0.26321 0.25000 0.35114 1.0000 + Sb Sb949 1.0 0.76321 0.83333 0.35114 1.0000 + Sb Sb950 1.0 0.72155 0.87500 0.35114 1.0000 + Sb Sb951 1.0 0.67988 0.91667 0.35114 1.0000 + Sb Sb952 1.0 0.63821 0.95833 0.35114 1.0000 + Sb Sb953 1.0 0.59655 0.00000 0.35114 1.0000 + Sb Sb954 1.0 0.55488 0.04167 0.35114 1.0000 + Sb Sb955 1.0 0.51321 0.08333 0.35114 1.0000 + Sb Sb956 1.0 0.47155 0.12500 0.35114 1.0000 + Sb Sb957 1.0 0.42988 0.16667 0.35114 1.0000 + Sb Sb958 1.0 0.38821 0.20833 0.35114 1.0000 + Sb Sb959 1.0 0.34655 0.25000 0.35114 1.0000 + Sb Sb960 1.0 0.30488 0.29167 0.35114 1.0000 + Sb Sb961 1.0 0.80488 0.87500 0.35114 1.0000 + Sb Sb962 1.0 0.76321 0.91667 0.35114 1.0000 + Sb Sb963 1.0 0.72155 0.95833 0.35114 1.0000 + Sb Sb964 1.0 0.67988 1.00000 0.35114 1.0000 + Sb Sb965 1.0 0.63821 0.04167 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1.0000 + Sb Sb1009 1.0 0.49339 0.56351 0.35114 1.0000 + Sb Sb1010 1.0 0.45173 0.60518 0.35114 1.0000 + Sb Sb1011 1.0 0.41006 0.64685 0.35114 1.0000 + Sb Sb1012 1.0 0.36839 0.68851 0.35114 1.0000 + Sb Sb1013 1.0 0.32673 0.73018 0.35114 1.0000 + Sb Sb1014 1.0 0.28506 0.77185 0.35114 1.0000 + Sb Sb1015 1.0 0.24339 0.81351 0.35114 1.0000 + Sb Sb1016 1.0 0.20173 0.85518 0.35114 1.0000 + Sb Sb1017 1.0 0.16006 0.89685 0.35114 1.0000 + Sb Sb1018 1.0 0.11839 0.93851 0.35114 1.0000 + Sb Sb1019 1.0 0.07673 0.98018 0.35114 1.0000 + Sb Sb1020 1.0 0.03506 0.02185 0.35114 1.0000 + Sb Sb1021 1.0 0.53506 0.60518 0.35114 1.0000 + Sb Sb1022 1.0 0.49339 0.64685 0.35114 1.0000 + Sb Sb1023 1.0 0.45173 0.68851 0.35114 1.0000 + Sb Sb1024 1.0 0.41006 0.73018 0.35114 1.0000 + Sb Sb1025 1.0 0.36839 0.77185 0.35114 1.0000 + Sb Sb1026 1.0 0.32673 0.81351 0.35114 1.0000 + Sb Sb1027 1.0 0.28506 0.85518 0.35114 1.0000 + Sb Sb1028 1.0 0.24339 0.89685 0.35114 1.0000 + Sb Sb1029 1.0 0.20173 0.93851 0.35114 1.0000 + Sb Sb1030 1.0 0.16006 0.98018 0.35114 1.0000 + Sb Sb1031 1.0 0.11839 0.02185 0.35114 1.0000 + Sb Sb1032 1.0 0.07673 0.06351 0.35114 1.0000 + Sb Sb1033 1.0 0.57673 0.64685 0.35114 1.0000 + Sb Sb1034 1.0 0.53506 0.68851 0.35114 1.0000 + Sb Sb1035 1.0 0.49339 0.73018 0.35114 1.0000 + Sb Sb1036 1.0 0.45173 0.77185 0.35114 1.0000 + Sb Sb1037 1.0 0.41006 0.81351 0.35114 1.0000 + Sb Sb1038 1.0 0.36839 0.85518 0.35114 1.0000 + Sb Sb1039 1.0 0.32673 0.89685 0.35114 1.0000 + Sb Sb1040 1.0 0.28506 0.93851 0.35114 1.0000 + Sb Sb1041 1.0 0.24339 0.98018 0.35114 1.0000 + Sb Sb1042 1.0 0.20173 0.02185 0.35114 1.0000 + Sb Sb1043 1.0 0.16006 0.06351 0.35114 1.0000 + Sb Sb1044 1.0 0.11839 0.10518 0.35114 1.0000 + Sb Sb1045 1.0 0.61839 0.68851 0.35114 1.0000 + Sb Sb1046 1.0 0.57673 0.73018 0.35114 1.0000 + Sb Sb1047 1.0 0.53506 0.77185 0.35114 1.0000 + Sb Sb1048 1.0 0.49339 0.81351 0.35114 1.0000 + Sb Sb1049 1.0 0.45173 0.85518 0.35114 1.0000 + Sb Sb1050 1.0 0.41006 0.89685 0.35114 1.0000 + Sb Sb1051 1.0 0.36839 0.93851 0.35114 1.0000 + Sb Sb1052 1.0 0.32673 0.98018 0.35114 1.0000 + Sb Sb1053 1.0 0.28506 0.02185 0.35114 1.0000 + Sb Sb1054 1.0 0.24339 0.06351 0.35114 1.0000 + Sb Sb1055 1.0 0.20173 0.10518 0.35114 1.0000 + Sb Sb1056 1.0 0.16006 0.14685 0.35114 1.0000 + Sb Sb1057 1.0 0.66006 0.73018 0.35114 1.0000 + Sb Sb1058 1.0 0.61839 0.77185 0.35114 1.0000 + Sb Sb1059 1.0 0.57673 0.81351 0.35114 1.0000 + Sb Sb1060 1.0 0.53506 0.85518 0.35114 1.0000 + Sb Sb1061 1.0 0.49339 0.89685 0.35114 1.0000 + Sb Sb1062 1.0 0.45173 0.93851 0.35114 1.0000 + Sb Sb1063 1.0 0.41006 0.98018 0.35114 1.0000 + Sb Sb1064 1.0 0.36839 0.02185 0.35114 1.0000 + Sb Sb1065 1.0 0.32673 0.06351 0.35114 1.0000 + Sb Sb1066 1.0 0.28506 0.10518 0.35114 1.0000 + Sb Sb1067 1.0 0.24339 0.14685 0.35114 1.0000 + Sb Sb1068 1.0 0.20173 0.18851 0.35114 1.0000 + Sb Sb1069 1.0 0.70173 0.77185 0.35114 1.0000 + Sb Sb1070 1.0 0.66006 0.81351 0.35114 1.0000 + Sb Sb1071 1.0 0.61839 0.85518 0.35114 1.0000 + Sb Sb1072 1.0 0.57673 0.89685 0.35114 1.0000 + Sb Sb1073 1.0 0.53506 0.93851 0.35114 1.0000 + Sb Sb1074 1.0 0.49339 0.98018 0.35114 1.0000 + Sb Sb1075 1.0 0.45173 0.02185 0.35114 1.0000 + Sb Sb1076 1.0 0.41006 0.06351 0.35114 1.0000 + Sb Sb1077 1.0 0.36839 0.10518 0.35114 1.0000 + Sb Sb1078 1.0 0.32673 0.14685 0.35114 1.0000 + Sb Sb1079 1.0 0.28506 0.18851 0.35114 1.0000 + Sb Sb1080 1.0 0.24339 0.23018 0.35114 1.0000 + Sb Sb1081 1.0 0.74339 0.81351 0.35114 1.0000 + Sb Sb1082 1.0 0.70173 0.85518 0.35114 1.0000 + Sb Sb1083 1.0 0.66006 0.89685 0.35114 1.0000 + Sb Sb1084 1.0 0.61839 0.93851 0.35114 1.0000 + Sb Sb1085 1.0 0.57673 0.98018 0.35114 1.0000 + Sb Sb1086 1.0 0.53506 0.02185 0.35114 1.0000 + Sb Sb1087 1.0 0.49339 0.06351 0.35114 1.0000 + Sb Sb1088 1.0 0.45173 0.10518 0.35114 1.0000 + Sb Sb1089 1.0 0.41006 0.14685 0.35114 1.0000 + Sb Sb1090 1.0 0.36839 0.18851 0.35114 1.0000 + Sb Sb1091 1.0 0.32673 0.23018 0.35114 1.0000 + Sb Sb1092 1.0 0.28506 0.27185 0.35114 1.0000 + Sb Sb1093 1.0 0.78506 0.85518 0.35114 1.0000 + Sb Sb1094 1.0 0.74339 0.89685 0.35114 1.0000 + Sb Sb1095 1.0 0.70173 0.93851 0.35114 1.0000 + Sb Sb1096 1.0 0.66006 0.98018 0.35114 1.0000 + Sb Sb1097 1.0 0.61839 0.02185 0.35114 1.0000 + Sb Sb1098 1.0 0.57673 0.06351 0.35114 1.0000 + Sb Sb1099 1.0 0.53506 0.10518 0.35114 1.0000 + Sb Sb1100 1.0 0.49339 0.14685 0.35114 1.0000 + Sb Sb1101 1.0 0.45173 0.18851 0.35114 1.0000 + Sb Sb1102 1.0 0.41006 0.23018 0.35114 1.0000 + Sb Sb1103 1.0 0.36839 0.27185 0.35114 1.0000 + Sb Sb1104 1.0 0.32673 0.31351 0.35114 1.0000 + Sb Sb1105 1.0 0.82673 0.89685 0.35114 1.0000 + Sb Sb1106 1.0 0.78506 0.93851 0.35114 1.0000 + Sb Sb1107 1.0 0.74339 0.98018 0.35114 1.0000 + Sb Sb1108 1.0 0.70173 0.02185 0.35114 1.0000 + Sb Sb1109 1.0 0.66006 0.06351 0.35114 1.0000 + Sb Sb1110 1.0 0.61839 0.10518 0.35114 1.0000 + Sb Sb1111 1.0 0.57673 0.14685 0.35114 1.0000 + Sb Sb1112 1.0 0.53506 0.18851 0.35114 1.0000 + Sb Sb1113 1.0 0.49339 0.23018 0.35114 1.0000 + Sb Sb1114 1.0 0.45173 0.27185 0.35114 1.0000 + Sb Sb1115 1.0 0.41006 0.31351 0.35114 1.0000 + Sb Sb1116 1.0 0.36839 0.35518 0.35114 1.0000 + Sb Sb1117 1.0 0.86839 0.93851 0.35114 1.0000 + Sb Sb1118 1.0 0.82673 0.98018 0.35114 1.0000 + Sb Sb1119 1.0 0.78506 0.02185 0.35114 1.0000 + Sb Sb1120 1.0 0.74339 0.06351 0.35114 1.0000 + Sb Sb1121 1.0 0.70173 0.10518 0.35114 1.0000 + Sb Sb1122 1.0 0.66006 0.14685 0.35114 1.0000 + Sb Sb1123 1.0 0.61839 0.18851 0.35114 1.0000 + Sb Sb1124 1.0 0.57673 0.23018 0.35114 1.0000 + Sb Sb1125 1.0 0.53506 0.27185 0.35114 1.0000 + Sb Sb1126 1.0 0.49339 0.31351 0.35114 1.0000 + Sb Sb1127 1.0 0.45173 0.35518 0.35114 1.0000 + Sb Sb1128 1.0 0.41006 0.39685 0.35114 1.0000 + Sb Sb1129 1.0 0.91006 0.98018 0.35114 1.0000 + Sb Sb1130 1.0 0.86839 0.02185 0.35114 1.0000 + Sb Sb1131 1.0 0.82673 0.06351 0.35114 1.0000 + Sb Sb1132 1.0 0.78506 0.10518 0.35114 1.0000 + Sb Sb1133 1.0 0.74339 0.14685 0.35114 1.0000 + Sb Sb1134 1.0 0.70173 0.18851 0.35114 1.0000 + Sb Sb1135 1.0 0.66006 0.23018 0.35114 1.0000 + Sb Sb1136 1.0 0.61839 0.27185 0.35114 1.0000 + Sb Sb1137 1.0 0.57673 0.31351 0.35114 1.0000 + Sb Sb1138 1.0 0.53506 0.35518 0.35114 1.0000 + Sb Sb1139 1.0 0.49339 0.39685 0.35114 1.0000 + Sb Sb1140 1.0 0.45173 0.43851 0.35114 1.0000 + Sb Sb1141 1.0 0.95173 0.02185 0.35114 1.0000 + Sb Sb1142 1.0 0.91006 0.06351 0.35114 1.0000 + Sb Sb1143 1.0 0.86839 0.10518 0.35114 1.0000 + Sb Sb1144 1.0 0.82673 0.14685 0.35114 1.0000 + Sb Sb1145 1.0 0.78506 0.18851 0.35114 1.0000 + Sb Sb1146 1.0 0.74339 0.23018 0.35114 1.0000 + Sb Sb1147 1.0 0.70173 0.27185 0.35114 1.0000 + Sb Sb1148 1.0 0.66006 0.31351 0.35114 1.0000 + Sb Sb1149 1.0 0.61839 0.35518 0.35114 1.0000 + Sb Sb1150 1.0 0.57673 0.39685 0.35114 1.0000 + Sb Sb1151 1.0 0.53506 0.43851 0.35114 1.0000 + Sb Sb1152 1.0 0.49339 0.48018 0.35114 1.0000 + Sb Sb1153 1.0 0.49339 0.51982 0.35114 1.0000 + Sb Sb1154 1.0 0.45173 0.56149 0.35114 1.0000 + Sb Sb1155 1.0 0.41006 0.60315 0.35114 1.0000 + Sb Sb1156 1.0 0.36839 0.64482 0.35114 1.0000 + Sb Sb1157 1.0 0.32673 0.68649 0.35114 1.0000 + Sb Sb1158 1.0 0.28506 0.72815 0.35114 1.0000 + Sb Sb1159 1.0 0.24339 0.76982 0.35114 1.0000 + Sb Sb1160 1.0 0.20173 0.81149 0.35114 1.0000 + Sb Sb1161 1.0 0.16006 0.85315 0.35114 1.0000 + Sb Sb1162 1.0 0.11839 0.89482 0.35114 1.0000 + Sb Sb1163 1.0 0.07673 0.93649 0.35114 1.0000 + Sb Sb1164 1.0 0.03506 0.97815 0.35114 1.0000 + Sb Sb1165 1.0 0.53506 0.56149 0.35114 1.0000 + Sb Sb1166 1.0 0.49339 0.60315 0.35114 1.0000 + Sb Sb1167 1.0 0.45173 0.64482 0.35114 1.0000 + Sb Sb1168 1.0 0.41006 0.68649 0.35114 1.0000 + Sb Sb1169 1.0 0.36839 0.72815 0.35114 1.0000 + Sb Sb1170 1.0 0.32673 0.76982 0.35114 1.0000 + Sb Sb1171 1.0 0.28506 0.81149 0.35114 1.0000 + Sb Sb1172 1.0 0.24339 0.85315 0.35114 1.0000 + Sb Sb1173 1.0 0.20173 0.89482 0.35114 1.0000 + Sb Sb1174 1.0 0.16006 0.93649 0.35114 1.0000 + Sb Sb1175 1.0 0.11839 0.97815 0.35114 1.0000 + Sb Sb1176 1.0 0.07673 0.01982 0.35114 1.0000 + Sb Sb1177 1.0 0.57673 0.60315 0.35114 1.0000 + Sb Sb1178 1.0 0.53506 0.64482 0.35114 1.0000 + Sb Sb1179 1.0 0.49339 0.68649 0.35114 1.0000 + Sb Sb1180 1.0 0.45173 0.72815 0.35114 1.0000 + Sb Sb1181 1.0 0.41006 0.76982 0.35114 1.0000 + Sb Sb1182 1.0 0.36839 0.81149 0.35114 1.0000 + Sb Sb1183 1.0 0.32673 0.85315 0.35114 1.0000 + Sb Sb1184 1.0 0.28506 0.89482 0.35114 1.0000 + Sb Sb1185 1.0 0.24339 0.93649 0.35114 1.0000 + Sb Sb1186 1.0 0.20173 0.97815 0.35114 1.0000 + Sb Sb1187 1.0 0.16006 0.01982 0.35114 1.0000 + Sb Sb1188 1.0 0.11839 0.06149 0.35114 1.0000 + Sb Sb1189 1.0 0.61839 0.64482 0.35114 1.0000 + Sb Sb1190 1.0 0.57673 0.68649 0.35114 1.0000 + Sb Sb1191 1.0 0.53506 0.72815 0.35114 1.0000 + Sb Sb1192 1.0 0.49339 0.76982 0.35114 1.0000 + Sb Sb1193 1.0 0.45173 0.81149 0.35114 1.0000 + Sb Sb1194 1.0 0.41006 0.85315 0.35114 1.0000 + Sb Sb1195 1.0 0.36839 0.89482 0.35114 1.0000 + Sb Sb1196 1.0 0.32673 0.93649 0.35114 1.0000 + Sb Sb1197 1.0 0.28506 0.97815 0.35114 1.0000 + Sb Sb1198 1.0 0.24339 0.01982 0.35114 1.0000 + Sb Sb1199 1.0 0.20173 0.06149 0.35114 1.0000 + Sb Sb1200 1.0 0.16006 0.10315 0.35114 1.0000 + Sb Sb1201 1.0 0.66006 0.68649 0.35114 1.0000 + Sb Sb1202 1.0 0.61839 0.72815 0.35114 1.0000 + Sb Sb1203 1.0 0.57673 0.76982 0.35114 1.0000 + Sb Sb1204 1.0 0.53506 0.81149 0.35114 1.0000 + Sb Sb1205 1.0 0.49339 0.85315 0.35114 1.0000 + Sb Sb1206 1.0 0.45173 0.89482 0.35114 1.0000 + Sb Sb1207 1.0 0.41006 0.93649 0.35114 1.0000 + Sb Sb1208 1.0 0.36839 0.97815 0.35114 1.0000 + Sb Sb1209 1.0 0.32673 0.01982 0.35114 1.0000 + Sb Sb1210 1.0 0.28506 0.06149 0.35114 1.0000 + Sb Sb1211 1.0 0.24339 0.10315 0.35114 1.0000 + Sb Sb1212 1.0 0.20173 0.14482 0.35114 1.0000 + Sb Sb1213 1.0 0.70173 0.72815 0.35114 1.0000 + Sb Sb1214 1.0 0.66006 0.76982 0.35114 1.0000 + Sb Sb1215 1.0 0.61839 0.81149 0.35114 1.0000 + Sb Sb1216 1.0 0.57673 0.85315 0.35114 1.0000 + Sb Sb1217 1.0 0.53506 0.89482 0.35114 1.0000 + Sb Sb1218 1.0 0.49339 0.93649 0.35114 1.0000 + Sb Sb1219 1.0 0.45173 0.97815 0.35114 1.0000 + Sb Sb1220 1.0 0.41006 0.01982 0.35114 1.0000 + Sb Sb1221 1.0 0.36839 0.06149 0.35114 1.0000 + Sb Sb1222 1.0 0.32673 0.10315 0.35114 1.0000 + Sb Sb1223 1.0 0.28506 0.14482 0.35114 1.0000 + Sb Sb1224 1.0 0.24339 0.18649 0.35114 1.0000 + Sb Sb1225 1.0 0.74339 0.76982 0.35114 1.0000 + Sb Sb1226 1.0 0.70173 0.81149 0.35114 1.0000 + Sb Sb1227 1.0 0.66006 0.85315 0.35114 1.0000 + Sb Sb1228 1.0 0.61839 0.89482 0.35114 1.0000 + Sb Sb1229 1.0 0.57673 0.93649 0.35114 1.0000 + Sb Sb1230 1.0 0.53506 0.97815 0.35114 1.0000 + Sb Sb1231 1.0 0.49339 0.01982 0.35114 1.0000 + Sb Sb1232 1.0 0.45173 0.06149 0.35114 1.0000 + Sb Sb1233 1.0 0.41006 0.10315 0.35114 1.0000 + Sb Sb1234 1.0 0.36839 0.14482 0.35114 1.0000 + Sb Sb1235 1.0 0.32673 0.18649 0.35114 1.0000 + Sb Sb1236 1.0 0.28506 0.22815 0.35114 1.0000 + Sb Sb1237 1.0 0.78506 0.81149 0.35114 1.0000 + Sb Sb1238 1.0 0.74339 0.85315 0.35114 1.0000 + Sb Sb1239 1.0 0.70173 0.89482 0.35114 1.0000 + Sb Sb1240 1.0 0.66006 0.93649 0.35114 1.0000 + Sb Sb1241 1.0 0.61839 0.97815 0.35114 1.0000 + Sb Sb1242 1.0 0.57673 0.01982 0.35114 1.0000 + Sb Sb1243 1.0 0.53506 0.06149 0.35114 1.0000 + Sb Sb1244 1.0 0.49339 0.10315 0.35114 1.0000 + Sb Sb1245 1.0 0.45173 0.14482 0.35114 1.0000 + Sb Sb1246 1.0 0.41006 0.18649 0.35114 1.0000 + Sb Sb1247 1.0 0.36839 0.22815 0.35114 1.0000 + Sb Sb1248 1.0 0.32673 0.26982 0.35114 1.0000 + Sb Sb1249 1.0 0.82673 0.85315 0.35114 1.0000 + Sb Sb1250 1.0 0.78506 0.89482 0.35114 1.0000 + Sb Sb1251 1.0 0.74339 0.93649 0.35114 1.0000 + Sb Sb1252 1.0 0.70173 0.97815 0.35114 1.0000 + Sb Sb1253 1.0 0.66006 0.01982 0.35114 1.0000 + Sb Sb1254 1.0 0.61839 0.06149 0.35114 1.0000 + Sb Sb1255 1.0 0.57673 0.10315 0.35114 1.0000 + Sb Sb1256 1.0 0.53506 0.14482 0.35114 1.0000 + Sb Sb1257 1.0 0.49339 0.18649 0.35114 1.0000 + Sb Sb1258 1.0 0.45173 0.22815 0.35114 1.0000 + Sb Sb1259 1.0 0.41006 0.26982 0.35114 1.0000 + Sb Sb1260 1.0 0.36839 0.31149 0.35114 1.0000 + Sb Sb1261 1.0 0.86839 0.89482 0.35114 1.0000 + Sb Sb1262 1.0 0.82673 0.93649 0.35114 1.0000 + Sb Sb1263 1.0 0.78506 0.97815 0.35114 1.0000 + Sb Sb1264 1.0 0.74339 0.01982 0.35114 1.0000 + Sb Sb1265 1.0 0.70173 0.06149 0.35114 1.0000 + Sb Sb1266 1.0 0.66006 0.10315 0.35114 1.0000 + Sb Sb1267 1.0 0.61839 0.14482 0.35114 1.0000 + Sb Sb1268 1.0 0.57673 0.18649 0.35114 1.0000 + Sb Sb1269 1.0 0.53506 0.22815 0.35114 1.0000 + Sb Sb1270 1.0 0.49339 0.26982 0.35114 1.0000 + Sb Sb1271 1.0 0.45173 0.31149 0.35114 1.0000 + Sb Sb1272 1.0 0.41006 0.35315 0.35114 1.0000 + Sb Sb1273 1.0 0.91006 0.93649 0.35114 1.0000 + Sb Sb1274 1.0 0.86839 0.97815 0.35114 1.0000 + Sb Sb1275 1.0 0.82673 0.01982 0.35114 1.0000 + Sb Sb1276 1.0 0.78506 0.06149 0.35114 1.0000 + Sb Sb1277 1.0 0.74339 0.10315 0.35114 1.0000 + Sb Sb1278 1.0 0.70173 0.14482 0.35114 1.0000 + Sb Sb1279 1.0 0.66006 0.18649 0.35114 1.0000 + Sb Sb1280 1.0 0.61839 0.22815 0.35114 1.0000 + Sb Sb1281 1.0 0.57673 0.26982 0.35114 1.0000 + Sb Sb1282 1.0 0.53506 0.31149 0.35114 1.0000 + Sb Sb1283 1.0 0.49339 0.35315 0.35114 1.0000 + Sb Sb1284 1.0 0.45173 0.39482 0.35114 1.0000 + Sb Sb1285 1.0 0.95173 0.97815 0.35114 1.0000 + Sb Sb1286 1.0 0.91006 0.01982 0.35114 1.0000 + Sb Sb1287 1.0 0.86839 0.06149 0.35114 1.0000 + Sb Sb1288 1.0 0.82673 0.10315 0.35114 1.0000 + Sb Sb1289 1.0 0.78506 0.14482 0.35114 1.0000 + Sb Sb1290 1.0 0.74339 0.18649 0.35114 1.0000 + Sb Sb1291 1.0 0.70173 0.22815 0.35114 1.0000 + Sb Sb1292 1.0 0.66006 0.26982 0.35114 1.0000 + Sb Sb1293 1.0 0.61839 0.31149 0.35114 1.0000 + Sb Sb1294 1.0 0.57673 0.35315 0.35114 1.0000 + Sb Sb1295 1.0 0.53506 0.39482 0.35114 1.0000 + Sb Sb1296 1.0 0.49339 0.43649 0.35114 1.0000 + Sb Sb1297 1.0 0.50661 0.51982 0.64886 1.0000 + Sb Sb1298 1.0 0.46494 0.56149 0.64886 1.0000 + Sb Sb1299 1.0 0.42327 0.60315 0.64886 1.0000 + Sb Sb1300 1.0 0.38161 0.64482 0.64886 1.0000 + Sb Sb1301 1.0 0.33994 0.68649 0.64886 1.0000 + Sb Sb1302 1.0 0.29827 0.72815 0.64886 1.0000 + Sb Sb1303 1.0 0.25661 0.76982 0.64886 1.0000 + Sb Sb1304 1.0 0.21494 0.81149 0.64886 1.0000 + Sb Sb1305 1.0 0.17327 0.85315 0.64886 1.0000 + Sb Sb1306 1.0 0.13161 0.89482 0.64886 1.0000 + Sb Sb1307 1.0 0.08994 0.93649 0.64886 1.0000 + Sb Sb1308 1.0 0.04827 0.97815 0.64886 1.0000 + Sb Sb1309 1.0 0.54827 0.56149 0.64886 1.0000 + Sb Sb1310 1.0 0.50661 0.60315 0.64886 1.0000 + Sb Sb1311 1.0 0.46494 0.64482 0.64886 1.0000 + Sb Sb1312 1.0 0.42327 0.68649 0.64886 1.0000 + Sb Sb1313 1.0 0.38161 0.72815 0.64886 1.0000 + Sb Sb1314 1.0 0.33994 0.76982 0.64886 1.0000 + Sb Sb1315 1.0 0.29827 0.81149 0.64886 1.0000 + Sb Sb1316 1.0 0.25661 0.85315 0.64886 1.0000 + Sb Sb1317 1.0 0.21494 0.89482 0.64886 1.0000 + Sb Sb1318 1.0 0.17327 0.93649 0.64886 1.0000 + Sb Sb1319 1.0 0.13161 0.97815 0.64886 1.0000 + Sb Sb1320 1.0 0.08994 0.01982 0.64886 1.0000 + Sb Sb1321 1.0 0.58994 0.60315 0.64886 1.0000 + Sb Sb1322 1.0 0.54827 0.64482 0.64886 1.0000 + Sb Sb1323 1.0 0.50661 0.68649 0.64886 1.0000 + Sb Sb1324 1.0 0.46494 0.72815 0.64886 1.0000 + Sb Sb1325 1.0 0.42327 0.76982 0.64886 1.0000 + Sb Sb1326 1.0 0.38161 0.81149 0.64886 1.0000 + Sb Sb1327 1.0 0.33994 0.85315 0.64886 1.0000 + Sb Sb1328 1.0 0.29827 0.89482 0.64886 1.0000 + Sb Sb1329 1.0 0.25661 0.93649 0.64886 1.0000 + Sb Sb1330 1.0 0.21494 0.97815 0.64886 1.0000 + Sb Sb1331 1.0 0.17327 0.01982 0.64886 1.0000 + Sb Sb1332 1.0 0.13161 0.06149 0.64886 1.0000 + Sb Sb1333 1.0 0.63161 0.64482 0.64886 1.0000 + Sb Sb1334 1.0 0.58994 0.68649 0.64886 1.0000 + Sb Sb1335 1.0 0.54827 0.72815 0.64886 1.0000 + Sb Sb1336 1.0 0.50661 0.76982 0.64886 1.0000 + Sb Sb1337 1.0 0.46494 0.81149 0.64886 1.0000 + Sb Sb1338 1.0 0.42327 0.85315 0.64886 1.0000 + Sb Sb1339 1.0 0.38161 0.89482 0.64886 1.0000 + Sb Sb1340 1.0 0.33994 0.93649 0.64886 1.0000 + Sb Sb1341 1.0 0.29827 0.97815 0.64886 1.0000 + Sb Sb1342 1.0 0.25661 0.01982 0.64886 1.0000 + Sb Sb1343 1.0 0.21494 0.06149 0.64886 1.0000 + Sb Sb1344 1.0 0.17327 0.10315 0.64886 1.0000 + Sb Sb1345 1.0 0.67327 0.68649 0.64886 1.0000 + Sb Sb1346 1.0 0.63161 0.72815 0.64886 1.0000 + Sb Sb1347 1.0 0.58994 0.76982 0.64886 1.0000 + Sb Sb1348 1.0 0.54827 0.81149 0.64886 1.0000 + Sb Sb1349 1.0 0.50661 0.85315 0.64886 1.0000 + Sb Sb1350 1.0 0.46494 0.89482 0.64886 1.0000 + Sb Sb1351 1.0 0.42327 0.93649 0.64886 1.0000 + Sb Sb1352 1.0 0.38161 0.97815 0.64886 1.0000 + Sb Sb1353 1.0 0.33994 0.01982 0.64886 1.0000 + Sb Sb1354 1.0 0.29827 0.06149 0.64886 1.0000 + Sb Sb1355 1.0 0.25661 0.10315 0.64886 1.0000 + Sb Sb1356 1.0 0.21494 0.14482 0.64886 1.0000 + Sb Sb1357 1.0 0.71494 0.72815 0.64886 1.0000 + Sb Sb1358 1.0 0.67327 0.76982 0.64886 1.0000 + Sb Sb1359 1.0 0.63161 0.81149 0.64886 1.0000 + Sb Sb1360 1.0 0.58994 0.85315 0.64886 1.0000 + Sb Sb1361 1.0 0.54827 0.89482 0.64886 1.0000 + Sb Sb1362 1.0 0.50661 0.93649 0.64886 1.0000 + Sb Sb1363 1.0 0.46494 0.97815 0.64886 1.0000 + Sb Sb1364 1.0 0.42327 0.01982 0.64886 1.0000 + Sb Sb1365 1.0 0.38161 0.06149 0.64886 1.0000 + Sb Sb1366 1.0 0.33994 0.10315 0.64886 1.0000 + Sb Sb1367 1.0 0.29827 0.14482 0.64886 1.0000 + Sb Sb1368 1.0 0.25661 0.18649 0.64886 1.0000 + Sb Sb1369 1.0 0.75661 0.76982 0.64886 1.0000 + Sb Sb1370 1.0 0.71494 0.81149 0.64886 1.0000 + Sb Sb1371 1.0 0.67327 0.85315 0.64886 1.0000 + Sb Sb1372 1.0 0.63161 0.89482 0.64886 1.0000 + Sb Sb1373 1.0 0.58994 0.93649 0.64886 1.0000 + Sb Sb1374 1.0 0.54827 0.97815 0.64886 1.0000 + Sb Sb1375 1.0 0.50661 0.01982 0.64886 1.0000 + Sb Sb1376 1.0 0.46494 0.06149 0.64886 1.0000 + Sb Sb1377 1.0 0.42327 0.10315 0.64886 1.0000 + Sb Sb1378 1.0 0.38161 0.14482 0.64886 1.0000 + Sb Sb1379 1.0 0.33994 0.18649 0.64886 1.0000 + Sb Sb1380 1.0 0.29827 0.22815 0.64886 1.0000 + Sb Sb1381 1.0 0.79827 0.81149 0.64886 1.0000 + Sb Sb1382 1.0 0.75661 0.85315 0.64886 1.0000 + Sb Sb1383 1.0 0.71494 0.89482 0.64886 1.0000 + Sb Sb1384 1.0 0.67327 0.93649 0.64886 1.0000 + Sb Sb1385 1.0 0.63161 0.97815 0.64886 1.0000 + Sb Sb1386 1.0 0.58994 0.01982 0.64886 1.0000 + Sb Sb1387 1.0 0.54827 0.06149 0.64886 1.0000 + Sb Sb1388 1.0 0.50661 0.10315 0.64886 1.0000 + Sb Sb1389 1.0 0.46494 0.14482 0.64886 1.0000 + Sb Sb1390 1.0 0.42327 0.18649 0.64886 1.0000 + Sb Sb1391 1.0 0.38161 0.22815 0.64886 1.0000 + Sb Sb1392 1.0 0.33994 0.26982 0.64886 1.0000 + Sb Sb1393 1.0 0.83994 0.85315 0.64886 1.0000 + Sb Sb1394 1.0 0.79827 0.89482 0.64886 1.0000 + Sb Sb1395 1.0 0.75661 0.93649 0.64886 1.0000 + Sb Sb1396 1.0 0.71494 0.97815 0.64886 1.0000 + Sb Sb1397 1.0 0.67327 0.01982 0.64886 1.0000 + Sb Sb1398 1.0 0.63161 0.06149 0.64886 1.0000 + Sb Sb1399 1.0 0.58994 0.10315 0.64886 1.0000 + Sb Sb1400 1.0 0.54827 0.14482 0.64886 1.0000 + Sb Sb1401 1.0 0.50661 0.18649 0.64886 1.0000 + Sb Sb1402 1.0 0.46494 0.22815 0.64886 1.0000 + Sb Sb1403 1.0 0.42327 0.26982 0.64886 1.0000 + Sb Sb1404 1.0 0.38161 0.31149 0.64886 1.0000 + Sb Sb1405 1.0 0.88161 0.89482 0.64886 1.0000 + Sb Sb1406 1.0 0.83994 0.93649 0.64886 1.0000 + Sb Sb1407 1.0 0.79827 0.97815 0.64886 1.0000 + Sb Sb1408 1.0 0.75661 0.01982 0.64886 1.0000 + Sb Sb1409 1.0 0.71494 0.06149 0.64886 1.0000 + Sb Sb1410 1.0 0.67327 0.10315 0.64886 1.0000 + Sb Sb1411 1.0 0.63161 0.14482 0.64886 1.0000 + Sb Sb1412 1.0 0.58994 0.18649 0.64886 1.0000 + Sb Sb1413 1.0 0.54827 0.22815 0.64886 1.0000 + Sb Sb1414 1.0 0.50661 0.26982 0.64886 1.0000 + Sb Sb1415 1.0 0.46494 0.31149 0.64886 1.0000 + Sb Sb1416 1.0 0.42327 0.35315 0.64886 1.0000 + Sb Sb1417 1.0 0.92327 0.93649 0.64886 1.0000 + Sb Sb1418 1.0 0.88161 0.97815 0.64886 1.0000 + Sb Sb1419 1.0 0.83994 0.01982 0.64886 1.0000 + Sb Sb1420 1.0 0.79827 0.06149 0.64886 1.0000 + Sb Sb1421 1.0 0.75661 0.10315 0.64886 1.0000 + Sb Sb1422 1.0 0.71494 0.14482 0.64886 1.0000 + Sb Sb1423 1.0 0.67327 0.18649 0.64886 1.0000 + Sb Sb1424 1.0 0.63161 0.22815 0.64886 1.0000 + Sb Sb1425 1.0 0.58994 0.26982 0.64886 1.0000 + Sb Sb1426 1.0 0.54827 0.31149 0.64886 1.0000 + Sb Sb1427 1.0 0.50661 0.35315 0.64886 1.0000 + Sb Sb1428 1.0 0.46494 0.39482 0.64886 1.0000 + Sb Sb1429 1.0 0.96494 0.97815 0.64886 1.0000 + Sb Sb1430 1.0 0.92327 0.01982 0.64886 1.0000 + Sb Sb1431 1.0 0.88161 0.06149 0.64886 1.0000 + Sb Sb1432 1.0 0.83994 0.10315 0.64886 1.0000 + Sb Sb1433 1.0 0.79827 0.14482 0.64886 1.0000 + Sb Sb1434 1.0 0.75661 0.18649 0.64886 1.0000 + Sb Sb1435 1.0 0.71494 0.22815 0.64886 1.0000 + Sb Sb1436 1.0 0.67327 0.26982 0.64886 1.0000 + Sb Sb1437 1.0 0.63161 0.31149 0.64886 1.0000 + Sb Sb1438 1.0 0.58994 0.35315 0.64886 1.0000 + Sb Sb1439 1.0 0.54827 0.39482 0.64886 1.0000 + Sb Sb1440 1.0 0.50661 0.43649 0.64886 1.0000 + Sb Sb1441 1.0 0.50661 0.56351 0.64886 1.0000 + Sb Sb1442 1.0 0.46494 0.60518 0.64886 1.0000 + Sb Sb1443 1.0 0.42327 0.64685 0.64886 1.0000 + Sb Sb1444 1.0 0.38161 0.68851 0.64886 1.0000 + Sb Sb1445 1.0 0.33994 0.73018 0.64886 1.0000 + Sb Sb1446 1.0 0.29827 0.77185 0.64886 1.0000 + Sb Sb1447 1.0 0.25661 0.81351 0.64886 1.0000 + Sb Sb1448 1.0 0.21494 0.85518 0.64886 1.0000 + Sb Sb1449 1.0 0.17327 0.89685 0.64886 1.0000 + Sb Sb1450 1.0 0.13161 0.93851 0.64886 1.0000 + Sb Sb1451 1.0 0.08994 0.98018 0.64886 1.0000 + Sb Sb1452 1.0 0.04827 0.02185 0.64886 1.0000 + Sb Sb1453 1.0 0.54827 0.60518 0.64886 1.0000 + Sb Sb1454 1.0 0.50661 0.64685 0.64886 1.0000 + Sb Sb1455 1.0 0.46494 0.68851 0.64886 1.0000 + Sb Sb1456 1.0 0.42327 0.73018 0.64886 1.0000 + Sb Sb1457 1.0 0.38161 0.77185 0.64886 1.0000 + Sb Sb1458 1.0 0.33994 0.81351 0.64886 1.0000 + Sb Sb1459 1.0 0.29827 0.85518 0.64886 1.0000 + Sb Sb1460 1.0 0.25661 0.89685 0.64886 1.0000 + Sb Sb1461 1.0 0.21494 0.93851 0.64886 1.0000 + Sb Sb1462 1.0 0.17327 0.98018 0.64886 1.0000 + Sb Sb1463 1.0 0.13161 0.02185 0.64886 1.0000 + Sb Sb1464 1.0 0.08994 0.06351 0.64886 1.0000 + Sb Sb1465 1.0 0.58994 0.64685 0.64886 1.0000 + Sb Sb1466 1.0 0.54827 0.68851 0.64886 1.0000 + Sb Sb1467 1.0 0.50661 0.73018 0.64886 1.0000 + Sb Sb1468 1.0 0.46494 0.77185 0.64886 1.0000 + Sb Sb1469 1.0 0.42327 0.81351 0.64886 1.0000 + Sb Sb1470 1.0 0.38161 0.85518 0.64886 1.0000 + Sb Sb1471 1.0 0.33994 0.89685 0.64886 1.0000 + Sb Sb1472 1.0 0.29827 0.93851 0.64886 1.0000 + Sb Sb1473 1.0 0.25661 0.98018 0.64886 1.0000 + Sb Sb1474 1.0 0.21494 0.02185 0.64886 1.0000 + Sb Sb1475 1.0 0.17327 0.06351 0.64886 1.0000 + Sb Sb1476 1.0 0.13161 0.10518 0.64886 1.0000 + Sb Sb1477 1.0 0.63161 0.68851 0.64886 1.0000 + Sb Sb1478 1.0 0.58994 0.73018 0.64886 1.0000 + Sb Sb1479 1.0 0.54827 0.77185 0.64886 1.0000 + Sb Sb1480 1.0 0.50661 0.81351 0.64886 1.0000 + Sb Sb1481 1.0 0.46494 0.85518 0.64886 1.0000 + Sb Sb1482 1.0 0.42327 0.89685 0.64886 1.0000 + Sb Sb1483 1.0 0.38161 0.93851 0.64886 1.0000 + Sb Sb1484 1.0 0.33994 0.98018 0.64886 1.0000 + Sb Sb1485 1.0 0.29827 0.02185 0.64886 1.0000 + Sb Sb1486 1.0 0.25661 0.06351 0.64886 1.0000 + Sb Sb1487 1.0 0.21494 0.10518 0.64886 1.0000 + Sb Sb1488 1.0 0.17327 0.14685 0.64886 1.0000 + Sb Sb1489 1.0 0.67327 0.73018 0.64886 1.0000 + Sb Sb1490 1.0 0.63161 0.77185 0.64886 1.0000 + Sb Sb1491 1.0 0.58994 0.81351 0.64886 1.0000 + Sb Sb1492 1.0 0.54827 0.85518 0.64886 1.0000 + Sb Sb1493 1.0 0.50661 0.89685 0.64886 1.0000 + Sb Sb1494 1.0 0.46494 0.93851 0.64886 1.0000 + Sb Sb1495 1.0 0.42327 0.98018 0.64886 1.0000 + Sb Sb1496 1.0 0.38161 0.02185 0.64886 1.0000 + Sb Sb1497 1.0 0.33994 0.06351 0.64886 1.0000 + Sb Sb1498 1.0 0.29827 0.10518 0.64886 1.0000 + Sb Sb1499 1.0 0.25661 0.14685 0.64886 1.0000 + Sb Sb1500 1.0 0.21494 0.18851 0.64886 1.0000 + Sb Sb1501 1.0 0.71494 0.77185 0.64886 1.0000 + Sb Sb1502 1.0 0.67327 0.81351 0.64886 1.0000 + Sb Sb1503 1.0 0.63161 0.85518 0.64886 1.0000 + Sb Sb1504 1.0 0.58994 0.89685 0.64886 1.0000 + Sb Sb1505 1.0 0.54827 0.93851 0.64886 1.0000 + Sb Sb1506 1.0 0.50661 0.98018 0.64886 1.0000 + Sb Sb1507 1.0 0.46494 0.02185 0.64886 1.0000 + Sb Sb1508 1.0 0.42327 0.06351 0.64886 1.0000 + Sb Sb1509 1.0 0.38161 0.10518 0.64886 1.0000 + Sb Sb1510 1.0 0.33994 0.14685 0.64886 1.0000 + Sb Sb1511 1.0 0.29827 0.18851 0.64886 1.0000 + Sb Sb1512 1.0 0.25661 0.23018 0.64886 1.0000 + Sb Sb1513 1.0 0.75661 0.81351 0.64886 1.0000 + Sb Sb1514 1.0 0.71494 0.85518 0.64886 1.0000 + Sb Sb1515 1.0 0.67327 0.89685 0.64886 1.0000 + Sb Sb1516 1.0 0.63161 0.93851 0.64886 1.0000 + Sb Sb1517 1.0 0.58994 0.98018 0.64886 1.0000 + Sb Sb1518 1.0 0.54827 0.02185 0.64886 1.0000 + Sb Sb1519 1.0 0.50661 0.06351 0.64886 1.0000 + Sb Sb1520 1.0 0.46494 0.10518 0.64886 1.0000 + Sb Sb1521 1.0 0.42327 0.14685 0.64886 1.0000 + Sb Sb1522 1.0 0.38161 0.18851 0.64886 1.0000 + Sb Sb1523 1.0 0.33994 0.23018 0.64886 1.0000 + Sb Sb1524 1.0 0.29827 0.27185 0.64886 1.0000 + Sb Sb1525 1.0 0.79827 0.85518 0.64886 1.0000 + Sb Sb1526 1.0 0.75661 0.89685 0.64886 1.0000 + Sb Sb1527 1.0 0.71494 0.93851 0.64886 1.0000 + Sb Sb1528 1.0 0.67327 0.98018 0.64886 1.0000 + Sb Sb1529 1.0 0.63161 0.02185 0.64886 1.0000 + Sb Sb1530 1.0 0.58994 0.06351 0.64886 1.0000 + Sb Sb1531 1.0 0.54827 0.10518 0.64886 1.0000 + Sb Sb1532 1.0 0.50661 0.14685 0.64886 1.0000 + Sb Sb1533 1.0 0.46494 0.18851 0.64886 1.0000 + Sb Sb1534 1.0 0.42327 0.23018 0.64886 1.0000 + Sb Sb1535 1.0 0.38161 0.27185 0.64886 1.0000 + Sb Sb1536 1.0 0.33994 0.31351 0.64886 1.0000 + Sb Sb1537 1.0 0.83994 0.89685 0.64886 1.0000 + Sb Sb1538 1.0 0.79827 0.93851 0.64886 1.0000 + Sb Sb1539 1.0 0.75661 0.98018 0.64886 1.0000 + Sb Sb1540 1.0 0.71494 0.02185 0.64886 1.0000 + Sb Sb1541 1.0 0.67327 0.06351 0.64886 1.0000 + Sb Sb1542 1.0 0.63161 0.10518 0.64886 1.0000 + Sb Sb1543 1.0 0.58994 0.14685 0.64886 1.0000 + Sb Sb1544 1.0 0.54827 0.18851 0.64886 1.0000 + Sb Sb1545 1.0 0.50661 0.23018 0.64886 1.0000 + Sb Sb1546 1.0 0.46494 0.27185 0.64886 1.0000 + Sb Sb1547 1.0 0.42327 0.31351 0.64886 1.0000 + Sb Sb1548 1.0 0.38161 0.35518 0.64886 1.0000 + Sb Sb1549 1.0 0.88161 0.93851 0.64886 1.0000 + Sb Sb1550 1.0 0.83994 0.98018 0.64886 1.0000 + Sb Sb1551 1.0 0.79827 0.02185 0.64886 1.0000 + Sb Sb1552 1.0 0.75661 0.06351 0.64886 1.0000 + Sb Sb1553 1.0 0.71494 0.10518 0.64886 1.0000 + Sb Sb1554 1.0 0.67327 0.14685 0.64886 1.0000 + Sb Sb1555 1.0 0.63161 0.18851 0.64886 1.0000 + Sb Sb1556 1.0 0.58994 0.23018 0.64886 1.0000 + Sb Sb1557 1.0 0.54827 0.27185 0.64886 1.0000 + Sb Sb1558 1.0 0.50661 0.31351 0.64886 1.0000 + Sb Sb1559 1.0 0.46494 0.35518 0.64886 1.0000 + Sb Sb1560 1.0 0.42327 0.39685 0.64886 1.0000 + Sb Sb1561 1.0 0.92327 0.98018 0.64886 1.0000 + Sb Sb1562 1.0 0.88161 0.02185 0.64886 1.0000 + Sb Sb1563 1.0 0.83994 0.06351 0.64886 1.0000 + Sb Sb1564 1.0 0.79827 0.10518 0.64886 1.0000 + Sb Sb1565 1.0 0.75661 0.14685 0.64886 1.0000 + Sb Sb1566 1.0 0.71494 0.18851 0.64886 1.0000 + Sb Sb1567 1.0 0.67327 0.23018 0.64886 1.0000 + Sb Sb1568 1.0 0.63161 0.27185 0.64886 1.0000 + Sb Sb1569 1.0 0.58994 0.31351 0.64886 1.0000 + Sb Sb1570 1.0 0.54827 0.35518 0.64886 1.0000 + Sb Sb1571 1.0 0.50661 0.39685 0.64886 1.0000 + Sb Sb1572 1.0 0.46494 0.43851 0.64886 1.0000 + Sb Sb1573 1.0 0.96494 0.02185 0.64886 1.0000 + Sb Sb1574 1.0 0.92327 0.06351 0.64886 1.0000 + Sb Sb1575 1.0 0.88161 0.10518 0.64886 1.0000 + Sb Sb1576 1.0 0.83994 0.14685 0.64886 1.0000 + Sb Sb1577 1.0 0.79827 0.18851 0.64886 1.0000 + Sb Sb1578 1.0 0.75661 0.23018 0.64886 1.0000 + Sb Sb1579 1.0 0.71494 0.27185 0.64886 1.0000 + Sb Sb1580 1.0 0.67327 0.31351 0.64886 1.0000 + Sb Sb1581 1.0 0.63161 0.35518 0.64886 1.0000 + Sb Sb1582 1.0 0.58994 0.39685 0.64886 1.0000 + Sb Sb1583 1.0 0.54827 0.43851 0.64886 1.0000 + Sb Sb1584 1.0 0.50661 0.48018 0.64886 1.0000 + Sb Sb1585 1.0 0.52845 0.54167 0.64886 1.0000 + Sb Sb1586 1.0 0.48679 0.58333 0.64886 1.0000 + Sb Sb1587 1.0 0.44512 0.62500 0.64886 1.0000 + Sb Sb1588 1.0 0.40345 0.66667 0.64886 1.0000 + Sb Sb1589 1.0 0.36179 0.70833 0.64886 1.0000 + Sb Sb1590 1.0 0.32012 0.75000 0.64886 1.0000 + Sb Sb1591 1.0 0.27845 0.79167 0.64886 1.0000 + Sb Sb1592 1.0 0.23679 0.83333 0.64886 1.0000 + Sb Sb1593 1.0 0.19512 0.87500 0.64886 1.0000 + Sb Sb1594 1.0 0.15345 0.91667 0.64886 1.0000 + Sb Sb1595 1.0 0.11179 0.95833 0.64886 1.0000 + Sb Sb1596 1.0 0.07012 0.00000 0.64886 1.0000 + Sb Sb1597 1.0 0.57012 0.58333 0.64886 1.0000 + Sb Sb1598 1.0 0.52845 0.62500 0.64886 1.0000 + Sb Sb1599 1.0 0.48679 0.66667 0.64886 1.0000 + Sb Sb1600 1.0 0.44512 0.70833 0.64886 1.0000 + Sb Sb1601 1.0 0.40345 0.75000 0.64886 1.0000 + Sb Sb1602 1.0 0.36179 0.79167 0.64886 1.0000 + Sb Sb1603 1.0 0.32012 0.83333 0.64886 1.0000 + Sb Sb1604 1.0 0.27845 0.87500 0.64886 1.0000 + Sb Sb1605 1.0 0.23679 0.91667 0.64886 1.0000 + Sb Sb1606 1.0 0.19512 0.95833 0.64886 1.0000 + Sb Sb1607 1.0 0.15345 0.00000 0.64886 1.0000 + Sb Sb1608 1.0 0.11179 0.04167 0.64886 1.0000 + Sb Sb1609 1.0 0.61179 0.62500 0.64886 1.0000 + Sb Sb1610 1.0 0.57012 0.66667 0.64886 1.0000 + Sb Sb1611 1.0 0.52845 0.70833 0.64886 1.0000 + Sb Sb1612 1.0 0.48679 0.75000 0.64886 1.0000 + Sb Sb1613 1.0 0.44512 0.79167 0.64886 1.0000 + Sb Sb1614 1.0 0.40345 0.83333 0.64886 1.0000 + Sb Sb1615 1.0 0.36179 0.87500 0.64886 1.0000 + Sb Sb1616 1.0 0.32012 0.91667 0.64886 1.0000 + Sb Sb1617 1.0 0.27845 0.95833 0.64886 1.0000 + Sb Sb1618 1.0 0.23679 0.00000 0.64886 1.0000 + Sb Sb1619 1.0 0.19512 0.04167 0.64886 1.0000 + Sb Sb1620 1.0 0.15345 0.08333 0.64886 1.0000 + Sb Sb1621 1.0 0.65345 0.66667 0.64886 1.0000 + Sb Sb1622 1.0 0.61179 0.70833 0.64886 1.0000 + Sb Sb1623 1.0 0.57012 0.75000 0.64886 1.0000 + Sb Sb1624 1.0 0.52845 0.79167 0.64886 1.0000 + Sb Sb1625 1.0 0.48679 0.83333 0.64886 1.0000 + Sb Sb1626 1.0 0.44512 0.87500 0.64886 1.0000 + Sb Sb1627 1.0 0.40345 0.91667 0.64886 1.0000 + Sb Sb1628 1.0 0.36179 0.95833 0.64886 1.0000 + Sb Sb1629 1.0 0.32012 1.00000 0.64886 1.0000 + Sb Sb1630 1.0 0.27845 0.04167 0.64886 1.0000 + Sb Sb1631 1.0 0.23679 0.08333 0.64886 1.0000 + Sb Sb1632 1.0 0.19512 0.12500 0.64886 1.0000 + Sb Sb1633 1.0 0.69512 0.70833 0.64886 1.0000 + Sb Sb1634 1.0 0.65345 0.75000 0.64886 1.0000 + Sb Sb1635 1.0 0.61179 0.79167 0.64886 1.0000 + Sb Sb1636 1.0 0.57012 0.83333 0.64886 1.0000 + Sb Sb1637 1.0 0.52845 0.87500 0.64886 1.0000 + Sb Sb1638 1.0 0.48679 0.91667 0.64886 1.0000 + Sb Sb1639 1.0 0.44512 0.95833 0.64886 1.0000 + Sb Sb1640 1.0 0.40345 0.00000 0.64886 1.0000 + Sb Sb1641 1.0 0.36179 0.04167 0.64886 1.0000 + Sb Sb1642 1.0 0.32012 0.08333 0.64886 1.0000 + Sb Sb1643 1.0 0.27845 0.12500 0.64886 1.0000 + Sb Sb1644 1.0 0.23679 0.16667 0.64886 1.0000 + Sb Sb1645 1.0 0.73679 0.75000 0.64886 1.0000 + Sb Sb1646 1.0 0.69512 0.79167 0.64886 1.0000 + Sb Sb1647 1.0 0.65345 0.83333 0.64886 1.0000 + Sb Sb1648 1.0 0.61179 0.87500 0.64886 1.0000 + Sb Sb1649 1.0 0.57012 0.91667 0.64886 1.0000 + Sb Sb1650 1.0 0.52845 0.95833 0.64886 1.0000 + Sb Sb1651 1.0 0.48679 0.00000 0.64886 1.0000 + Sb Sb1652 1.0 0.44512 0.04167 0.64886 1.0000 + Sb Sb1653 1.0 0.40345 0.08333 0.64886 1.0000 + Sb Sb1654 1.0 0.36179 0.12500 0.64886 1.0000 + Sb Sb1655 1.0 0.32012 0.16667 0.64886 1.0000 + Sb Sb1656 1.0 0.27845 0.20833 0.64886 1.0000 + Sb Sb1657 1.0 0.77845 0.79167 0.64886 1.0000 + Sb Sb1658 1.0 0.73679 0.83333 0.64886 1.0000 + Sb Sb1659 1.0 0.69512 0.87500 0.64886 1.0000 + Sb Sb1660 1.0 0.65345 0.91667 0.64886 1.0000 + Sb Sb1661 1.0 0.61179 0.95833 0.64886 1.0000 + Sb Sb1662 1.0 0.57012 0.00000 0.64886 1.0000 + Sb Sb1663 1.0 0.52845 0.04167 0.64886 1.0000 + Sb Sb1664 1.0 0.48679 0.08333 0.64886 1.0000 + Sb Sb1665 1.0 0.44512 0.12500 0.64886 1.0000 + Sb Sb1666 1.0 0.40345 0.16667 0.64886 1.0000 + Sb Sb1667 1.0 0.36179 0.20833 0.64886 1.0000 + Sb Sb1668 1.0 0.32012 0.25000 0.64886 1.0000 + Sb Sb1669 1.0 0.82012 0.83333 0.64886 1.0000 + Sb Sb1670 1.0 0.77845 0.87500 0.64886 1.0000 + Sb Sb1671 1.0 0.73679 0.91667 0.64886 1.0000 + Sb Sb1672 1.0 0.69512 0.95833 0.64886 1.0000 + Sb Sb1673 1.0 0.65345 1.00000 0.64886 1.0000 + Sb Sb1674 1.0 0.61179 0.04167 0.64886 1.0000 + Sb Sb1675 1.0 0.57012 0.08333 0.64886 1.0000 + Sb Sb1676 1.0 0.52845 0.12500 0.64886 1.0000 + Sb Sb1677 1.0 0.48679 0.16667 0.64886 1.0000 + Sb Sb1678 1.0 0.44512 0.20833 0.64886 1.0000 + Sb Sb1679 1.0 0.40345 0.25000 0.64886 1.0000 + Sb Sb1680 1.0 0.36179 0.29167 0.64886 1.0000 + Sb Sb1681 1.0 0.86179 0.87500 0.64886 1.0000 + Sb Sb1682 1.0 0.82012 0.91667 0.64886 1.0000 + Sb Sb1683 1.0 0.77845 0.95833 0.64886 1.0000 + Sb Sb1684 1.0 0.73679 1.00000 0.64886 1.0000 + Sb Sb1685 1.0 0.69512 0.04167 0.64886 1.0000 + Sb Sb1686 1.0 0.65345 0.08333 0.64886 1.0000 + Sb Sb1687 1.0 0.61179 0.12500 0.64886 1.0000 + Sb Sb1688 1.0 0.57012 0.16667 0.64886 1.0000 + Sb Sb1689 1.0 0.52845 0.20833 0.64886 1.0000 + Sb Sb1690 1.0 0.48679 0.25000 0.64886 1.0000 + Sb Sb1691 1.0 0.44512 0.29167 0.64886 1.0000 + Sb Sb1692 1.0 0.40345 0.33333 0.64886 1.0000 + Sb Sb1693 1.0 0.90345 0.91667 0.64886 1.0000 + Sb Sb1694 1.0 0.86179 0.95833 0.64886 1.0000 + Sb Sb1695 1.0 0.82012 1.00000 0.64886 1.0000 + Sb Sb1696 1.0 0.77845 0.04167 0.64886 1.0000 + Sb Sb1697 1.0 0.73679 0.08333 0.64886 1.0000 + Sb Sb1698 1.0 0.69512 0.12500 0.64886 1.0000 + Sb Sb1699 1.0 0.65345 0.16667 0.64886 1.0000 + Sb Sb1700 1.0 0.61179 0.20833 0.64886 1.0000 + Sb Sb1701 1.0 0.57012 0.25000 0.64886 1.0000 + Sb Sb1702 1.0 0.52845 0.29167 0.64886 1.0000 + Sb Sb1703 1.0 0.48679 0.33333 0.64886 1.0000 + Sb Sb1704 1.0 0.44512 0.37500 0.64886 1.0000 + Sb Sb1705 1.0 0.94512 0.95833 0.64886 1.0000 + Sb Sb1706 1.0 0.90345 0.00000 0.64886 1.0000 + Sb Sb1707 1.0 0.86179 0.04167 0.64886 1.0000 + Sb Sb1708 1.0 0.82012 0.08333 0.64886 1.0000 + Sb Sb1709 1.0 0.77845 0.12500 0.64886 1.0000 + Sb Sb1710 1.0 0.73679 0.16667 0.64886 1.0000 + Sb Sb1711 1.0 0.69512 0.20833 0.64886 1.0000 + Sb Sb1712 1.0 0.65345 0.25000 0.64886 1.0000 + Sb Sb1713 1.0 0.61179 0.29167 0.64886 1.0000 + Sb Sb1714 1.0 0.57012 0.33333 0.64886 1.0000 + Sb Sb1715 1.0 0.52845 0.37500 0.64886 1.0000 + Sb Sb1716 1.0 0.48679 0.41667 0.64886 1.0000 + Sb Sb1717 1.0 0.98679 1.00000 0.64886 1.0000 + Sb Sb1718 1.0 0.94512 0.04167 0.64886 1.0000 + Sb Sb1719 1.0 0.90345 0.08333 0.64886 1.0000 + Sb Sb1720 1.0 0.86179 0.12500 0.64886 1.0000 + Sb Sb1721 1.0 0.82012 0.16667 0.64886 1.0000 + Sb Sb1722 1.0 0.77845 0.20833 0.64886 1.0000 + Sb Sb1723 1.0 0.73679 0.25000 0.64886 1.0000 + Sb Sb1724 1.0 0.69512 0.29167 0.64886 1.0000 + Sb Sb1725 1.0 0.65345 0.33333 0.64886 1.0000 + Sb Sb1726 1.0 0.61179 0.37500 0.64886 1.0000 + Sb Sb1727 1.0 0.57012 0.41667 0.64886 1.0000 + Sb Sb1728 1.0 0.52845 0.45833 0.64886 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-3505_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-3505_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..b553b9129ae3b88a0173c910b247bcc2254dff3a --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-3505_supercell_12x12x1.cif @@ -0,0 +1,2617 @@ +data_image0 +_chemical_formula_structural Mn288Ni144O864Mn288Ni144O864 +_chemical_formula_sum "Mn576 Ni288 O1728" +_cell_length_a 103.558 +_cell_length_b 59.8031 +_cell_length_c 5.92107 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Mn Mn1 1.0 0.00695 0.06249 0.50000 1.0000 + Mn Mn2 1.0 0.96528 0.10416 0.50000 1.0000 + Mn Mn3 1.0 0.92361 0.14583 0.50000 1.0000 + Mn Mn4 1.0 0.88195 0.18749 0.50000 1.0000 + Mn Mn5 1.0 0.84028 0.22916 0.50000 1.0000 + Mn Mn6 1.0 0.79861 0.27083 0.50000 1.0000 + Mn Mn7 1.0 0.75695 0.31249 0.50000 1.0000 + Mn Mn8 1.0 0.71528 0.35416 0.50000 1.0000 + Mn Mn9 1.0 0.67361 0.39583 0.50000 1.0000 + Mn Mn10 1.0 0.63195 0.43749 0.50000 1.0000 + Mn Mn11 1.0 0.59028 0.47916 0.50000 1.0000 + Mn Mn12 1.0 0.54861 0.52083 0.50000 1.0000 + Mn Mn13 1.0 0.04861 0.10416 0.50000 1.0000 + Mn Mn14 1.0 0.00695 0.14583 0.50000 1.0000 + Mn Mn15 1.0 0.96528 0.18749 0.50000 1.0000 + Mn Mn16 1.0 0.92361 0.22916 0.50000 1.0000 + Mn Mn17 1.0 0.88195 0.27083 0.50000 1.0000 + Mn Mn18 1.0 0.84028 0.31249 0.50000 1.0000 + Mn Mn19 1.0 0.79861 0.35416 0.50000 1.0000 + Mn Mn20 1.0 0.75695 0.39583 0.50000 1.0000 + Mn Mn21 1.0 0.71528 0.43749 0.50000 1.0000 + Mn Mn22 1.0 0.67361 0.47916 0.50000 1.0000 + Mn Mn23 1.0 0.63195 0.52083 0.50000 1.0000 + Mn Mn24 1.0 0.59028 0.56249 0.50000 1.0000 + Mn Mn25 1.0 0.09028 0.14583 0.50000 1.0000 + Mn Mn26 1.0 0.04861 0.18749 0.50000 1.0000 + Mn Mn27 1.0 0.00695 0.22916 0.50000 1.0000 + Mn Mn28 1.0 0.96528 0.27083 0.50000 1.0000 + Mn Mn29 1.0 0.92361 0.31249 0.50000 1.0000 + Mn Mn30 1.0 0.88195 0.35416 0.50000 1.0000 + Mn Mn31 1.0 0.84028 0.39583 0.50000 1.0000 + Mn Mn32 1.0 0.79861 0.43749 0.50000 1.0000 + Mn Mn33 1.0 0.75695 0.47916 0.50000 1.0000 + Mn Mn34 1.0 0.71528 0.52083 0.50000 1.0000 + Mn Mn35 1.0 0.67361 0.56249 0.50000 1.0000 + Mn Mn36 1.0 0.63195 0.60416 0.50000 1.0000 + Mn Mn37 1.0 0.13195 0.18749 0.50000 1.0000 + Mn Mn38 1.0 0.09028 0.22916 0.50000 1.0000 + Mn Mn39 1.0 0.04861 0.27083 0.50000 1.0000 + Mn Mn40 1.0 0.00695 0.31249 0.50000 1.0000 + Mn Mn41 1.0 0.96528 0.35416 0.50000 1.0000 + Mn Mn42 1.0 0.92361 0.39583 0.50000 1.0000 + Mn Mn43 1.0 0.88195 0.43749 0.50000 1.0000 + Mn Mn44 1.0 0.84028 0.47916 0.50000 1.0000 + Mn Mn45 1.0 0.79861 0.52083 0.50000 1.0000 + Mn Mn46 1.0 0.75695 0.56249 0.50000 1.0000 + Mn Mn47 1.0 0.71528 0.60416 0.50000 1.0000 + Mn Mn48 1.0 0.67361 0.64583 0.50000 1.0000 + Mn Mn49 1.0 0.17361 0.22916 0.50000 1.0000 + Mn Mn50 1.0 0.13195 0.27083 0.50000 1.0000 + Mn Mn51 1.0 0.09028 0.31249 0.50000 1.0000 + Mn Mn52 1.0 0.04861 0.35416 0.50000 1.0000 + Mn Mn53 1.0 0.00695 0.39583 0.50000 1.0000 + Mn Mn54 1.0 0.96528 0.43749 0.50000 1.0000 + Mn Mn55 1.0 0.92361 0.47916 0.50000 1.0000 + Mn Mn56 1.0 0.88195 0.52083 0.50000 1.0000 + Mn Mn57 1.0 0.84028 0.56249 0.50000 1.0000 + Mn Mn58 1.0 0.79861 0.60416 0.50000 1.0000 + Mn Mn59 1.0 0.75695 0.64583 0.50000 1.0000 + Mn Mn60 1.0 0.71528 0.68749 0.50000 1.0000 + Mn Mn61 1.0 0.21528 0.27083 0.50000 1.0000 + Mn Mn62 1.0 0.17361 0.31249 0.50000 1.0000 + Mn Mn63 1.0 0.13195 0.35416 0.50000 1.0000 + Mn Mn64 1.0 0.09028 0.39583 0.50000 1.0000 + Mn Mn65 1.0 0.04861 0.43749 0.50000 1.0000 + Mn Mn66 1.0 0.00695 0.47916 0.50000 1.0000 + Mn Mn67 1.0 0.96528 0.52083 0.50000 1.0000 + Mn Mn68 1.0 0.92361 0.56249 0.50000 1.0000 + Mn Mn69 1.0 0.88195 0.60416 0.50000 1.0000 + Mn Mn70 1.0 0.84028 0.64583 0.50000 1.0000 + Mn Mn71 1.0 0.79861 0.68749 0.50000 1.0000 + Mn Mn72 1.0 0.75695 0.72916 0.50000 1.0000 + Mn Mn73 1.0 0.25695 0.31249 0.50000 1.0000 + Mn Mn74 1.0 0.21528 0.35416 0.50000 1.0000 + Mn Mn75 1.0 0.17361 0.39583 0.50000 1.0000 + Mn Mn76 1.0 0.13195 0.43749 0.50000 1.0000 + Mn Mn77 1.0 0.09028 0.47916 0.50000 1.0000 + Mn Mn78 1.0 0.04861 0.52083 0.50000 1.0000 + Mn Mn79 1.0 0.00695 0.56249 0.50000 1.0000 + Mn Mn80 1.0 0.96528 0.60416 0.50000 1.0000 + Mn Mn81 1.0 0.92361 0.64583 0.50000 1.0000 + Mn Mn82 1.0 0.88195 0.68749 0.50000 1.0000 + Mn Mn83 1.0 0.84028 0.72916 0.50000 1.0000 + Mn Mn84 1.0 0.79861 0.77083 0.50000 1.0000 + Mn Mn85 1.0 0.29861 0.35416 0.50000 1.0000 + Mn Mn86 1.0 0.25695 0.39583 0.50000 1.0000 + Mn Mn87 1.0 0.21528 0.43749 0.50000 1.0000 + Mn Mn88 1.0 0.17361 0.47916 0.50000 1.0000 + Mn Mn89 1.0 0.13195 0.52083 0.50000 1.0000 + Mn Mn90 1.0 0.09028 0.56249 0.50000 1.0000 + Mn Mn91 1.0 0.04861 0.60416 0.50000 1.0000 + Mn Mn92 1.0 0.00695 0.64583 0.50000 1.0000 + Mn Mn93 1.0 0.96528 0.68749 0.50000 1.0000 + Mn Mn94 1.0 0.92361 0.72916 0.50000 1.0000 + Mn Mn95 1.0 0.88195 0.77083 0.50000 1.0000 + Mn Mn96 1.0 0.84028 0.81249 0.50000 1.0000 + Mn Mn97 1.0 0.34028 0.39583 0.50000 1.0000 + Mn Mn98 1.0 0.29861 0.43749 0.50000 1.0000 + Mn Mn99 1.0 0.25695 0.47916 0.50000 1.0000 + Mn Mn100 1.0 0.21528 0.52083 0.50000 1.0000 + Mn Mn101 1.0 0.17361 0.56249 0.50000 1.0000 + Mn Mn102 1.0 0.13195 0.60416 0.50000 1.0000 + Mn Mn103 1.0 0.09028 0.64583 0.50000 1.0000 + Mn Mn104 1.0 0.04861 0.68749 0.50000 1.0000 + Mn Mn105 1.0 0.00695 0.72916 0.50000 1.0000 + Mn Mn106 1.0 0.96528 0.77083 0.50000 1.0000 + Mn Mn107 1.0 0.92361 0.81249 0.50000 1.0000 + Mn Mn108 1.0 0.88195 0.85416 0.50000 1.0000 + Mn Mn109 1.0 0.38195 0.43749 0.50000 1.0000 + Mn Mn110 1.0 0.34028 0.47916 0.50000 1.0000 + Mn Mn111 1.0 0.29861 0.52083 0.50000 1.0000 + Mn Mn112 1.0 0.25695 0.56249 0.50000 1.0000 + Mn Mn113 1.0 0.21528 0.60416 0.50000 1.0000 + Mn Mn114 1.0 0.17361 0.64583 0.50000 1.0000 + Mn Mn115 1.0 0.13195 0.68749 0.50000 1.0000 + Mn Mn116 1.0 0.09028 0.72916 0.50000 1.0000 + Mn Mn117 1.0 0.04861 0.77083 0.50000 1.0000 + Mn Mn118 1.0 0.00695 0.81249 0.50000 1.0000 + Mn Mn119 1.0 0.96528 0.85416 0.50000 1.0000 + Mn Mn120 1.0 0.92361 0.89583 0.50000 1.0000 + Mn Mn121 1.0 0.42361 0.47916 0.50000 1.0000 + Mn Mn122 1.0 0.38195 0.52083 0.50000 1.0000 + Mn Mn123 1.0 0.34028 0.56249 0.50000 1.0000 + Mn Mn124 1.0 0.29861 0.60416 0.50000 1.0000 + Mn Mn125 1.0 0.25695 0.64583 0.50000 1.0000 + Mn Mn126 1.0 0.21528 0.68749 0.50000 1.0000 + Mn Mn127 1.0 0.17361 0.72916 0.50000 1.0000 + Mn Mn128 1.0 0.13195 0.77083 0.50000 1.0000 + Mn Mn129 1.0 0.09028 0.81249 0.50000 1.0000 + Mn Mn130 1.0 0.04861 0.85416 0.50000 1.0000 + Mn Mn131 1.0 0.00695 0.89583 0.50000 1.0000 + Mn Mn132 1.0 0.96528 0.93749 0.50000 1.0000 + Mn Mn133 1.0 0.46528 0.52083 0.50000 1.0000 + Mn Mn134 1.0 0.42361 0.56249 0.50000 1.0000 + Mn Mn135 1.0 0.38195 0.60416 0.50000 1.0000 + Mn Mn136 1.0 0.34028 0.64583 0.50000 1.0000 + Mn Mn137 1.0 0.29861 0.68749 0.50000 1.0000 + Mn Mn138 1.0 0.25695 0.72916 0.50000 1.0000 + Mn Mn139 1.0 0.21528 0.77083 0.50000 1.0000 + Mn Mn140 1.0 0.17361 0.81249 0.50000 1.0000 + Mn Mn141 1.0 0.13195 0.85416 0.50000 1.0000 + Mn Mn142 1.0 0.09028 0.89583 0.50000 1.0000 + Mn Mn143 1.0 0.04861 0.93749 0.50000 1.0000 + Mn Mn144 1.0 0.00695 0.97916 0.50000 1.0000 + Mn Mn145 1.0 0.99305 0.02084 0.50000 1.0000 + Mn Mn146 1.0 0.95139 0.06251 0.50000 1.0000 + Mn Mn147 1.0 0.90972 0.10417 0.50000 1.0000 + Mn Mn148 1.0 0.86805 0.14584 0.50000 1.0000 + Mn Mn149 1.0 0.82639 0.18751 0.50000 1.0000 + Mn Mn150 1.0 0.78472 0.22917 0.50000 1.0000 + Mn Mn151 1.0 0.74305 0.27084 0.50000 1.0000 + Mn Mn152 1.0 0.70139 0.31251 0.50000 1.0000 + Mn Mn153 1.0 0.65972 0.35417 0.50000 1.0000 + Mn Mn154 1.0 0.61805 0.39584 0.50000 1.0000 + Mn Mn155 1.0 0.57639 0.43751 0.50000 1.0000 + Mn Mn156 1.0 0.53472 0.47917 0.50000 1.0000 + Mn Mn157 1.0 0.03472 0.06251 0.50000 1.0000 + Mn Mn158 1.0 0.99305 0.10417 0.50000 1.0000 + Mn Mn159 1.0 0.95139 0.14584 0.50000 1.0000 + Mn Mn160 1.0 0.90972 0.18751 0.50000 1.0000 + Mn Mn161 1.0 0.86805 0.22917 0.50000 1.0000 + Mn Mn162 1.0 0.82639 0.27084 0.50000 1.0000 + Mn Mn163 1.0 0.78472 0.31251 0.50000 1.0000 + Mn Mn164 1.0 0.74305 0.35417 0.50000 1.0000 + Mn Mn165 1.0 0.70139 0.39584 0.50000 1.0000 + Mn Mn166 1.0 0.65972 0.43751 0.50000 1.0000 + Mn Mn167 1.0 0.61805 0.47917 0.50000 1.0000 + Mn Mn168 1.0 0.57639 0.52084 0.50000 1.0000 + Mn Mn169 1.0 0.07639 0.10417 0.50000 1.0000 + Mn Mn170 1.0 0.03472 0.14584 0.50000 1.0000 + Mn Mn171 1.0 0.99305 0.18751 0.50000 1.0000 + Mn Mn172 1.0 0.95139 0.22917 0.50000 1.0000 + Mn Mn173 1.0 0.90972 0.27084 0.50000 1.0000 + Mn Mn174 1.0 0.86805 0.31251 0.50000 1.0000 + Mn Mn175 1.0 0.82639 0.35417 0.50000 1.0000 + Mn Mn176 1.0 0.78472 0.39584 0.50000 1.0000 + Mn Mn177 1.0 0.74305 0.43751 0.50000 1.0000 + Mn Mn178 1.0 0.70139 0.47917 0.50000 1.0000 + Mn Mn179 1.0 0.65972 0.52084 0.50000 1.0000 + Mn Mn180 1.0 0.61805 0.56251 0.50000 1.0000 + Mn Mn181 1.0 0.11805 0.14584 0.50000 1.0000 + Mn Mn182 1.0 0.07639 0.18751 0.50000 1.0000 + Mn Mn183 1.0 0.03472 0.22917 0.50000 1.0000 + Mn Mn184 1.0 0.99305 0.27084 0.50000 1.0000 + Mn Mn185 1.0 0.95139 0.31251 0.50000 1.0000 + Mn Mn186 1.0 0.90972 0.35417 0.50000 1.0000 + Mn Mn187 1.0 0.86805 0.39584 0.50000 1.0000 + Mn Mn188 1.0 0.82639 0.43751 0.50000 1.0000 + Mn Mn189 1.0 0.78472 0.47917 0.50000 1.0000 + Mn Mn190 1.0 0.74305 0.52084 0.50000 1.0000 + Mn Mn191 1.0 0.70139 0.56251 0.50000 1.0000 + Mn Mn192 1.0 0.65972 0.60417 0.50000 1.0000 + Mn Mn193 1.0 0.15972 0.18751 0.50000 1.0000 + Mn Mn194 1.0 0.11805 0.22917 0.50000 1.0000 + Mn Mn195 1.0 0.07639 0.27084 0.50000 1.0000 + Mn Mn196 1.0 0.03472 0.31251 0.50000 1.0000 + Mn Mn197 1.0 0.99305 0.35417 0.50000 1.0000 + Mn Mn198 1.0 0.95139 0.39584 0.50000 1.0000 + Mn Mn199 1.0 0.90972 0.43751 0.50000 1.0000 + Mn Mn200 1.0 0.86805 0.47917 0.50000 1.0000 + Mn Mn201 1.0 0.82639 0.52084 0.50000 1.0000 + Mn Mn202 1.0 0.78472 0.56251 0.50000 1.0000 + Mn Mn203 1.0 0.74305 0.60417 0.50000 1.0000 + Mn Mn204 1.0 0.70139 0.64584 0.50000 1.0000 + Mn Mn205 1.0 0.20139 0.22917 0.50000 1.0000 + Mn Mn206 1.0 0.15972 0.27084 0.50000 1.0000 + Mn Mn207 1.0 0.11805 0.31251 0.50000 1.0000 + Mn Mn208 1.0 0.07639 0.35417 0.50000 1.0000 + Mn Mn209 1.0 0.03472 0.39584 0.50000 1.0000 + Mn Mn210 1.0 0.99305 0.43751 0.50000 1.0000 + Mn Mn211 1.0 0.95139 0.47917 0.50000 1.0000 + Mn Mn212 1.0 0.90972 0.52084 0.50000 1.0000 + Mn Mn213 1.0 0.86805 0.56251 0.50000 1.0000 + Mn Mn214 1.0 0.82639 0.60417 0.50000 1.0000 + Mn Mn215 1.0 0.78472 0.64584 0.50000 1.0000 + Mn Mn216 1.0 0.74305 0.68751 0.50000 1.0000 + Mn Mn217 1.0 0.24305 0.27084 0.50000 1.0000 + Mn Mn218 1.0 0.20139 0.31251 0.50000 1.0000 + Mn Mn219 1.0 0.15972 0.35417 0.50000 1.0000 + Mn Mn220 1.0 0.11805 0.39584 0.50000 1.0000 + Mn Mn221 1.0 0.07639 0.43751 0.50000 1.0000 + Mn Mn222 1.0 0.03472 0.47917 0.50000 1.0000 + Mn Mn223 1.0 0.99305 0.52084 0.50000 1.0000 + Mn Mn224 1.0 0.95139 0.56251 0.50000 1.0000 + Mn Mn225 1.0 0.90972 0.60417 0.50000 1.0000 + Mn Mn226 1.0 0.86805 0.64584 0.50000 1.0000 + Mn Mn227 1.0 0.82639 0.68751 0.50000 1.0000 + Mn Mn228 1.0 0.78472 0.72917 0.50000 1.0000 + Mn Mn229 1.0 0.28472 0.31251 0.50000 1.0000 + Mn Mn230 1.0 0.24305 0.35417 0.50000 1.0000 + Mn Mn231 1.0 0.20139 0.39584 0.50000 1.0000 + Mn Mn232 1.0 0.15972 0.43751 0.50000 1.0000 + Mn Mn233 1.0 0.11805 0.47917 0.50000 1.0000 + Mn Mn234 1.0 0.07639 0.52084 0.50000 1.0000 + Mn Mn235 1.0 0.03472 0.56251 0.50000 1.0000 + Mn Mn236 1.0 0.99305 0.60417 0.50000 1.0000 + Mn Mn237 1.0 0.95139 0.64584 0.50000 1.0000 + Mn Mn238 1.0 0.90972 0.68751 0.50000 1.0000 + Mn Mn239 1.0 0.86805 0.72917 0.50000 1.0000 + Mn Mn240 1.0 0.82639 0.77084 0.50000 1.0000 + Mn Mn241 1.0 0.32639 0.35417 0.50000 1.0000 + Mn Mn242 1.0 0.28472 0.39584 0.50000 1.0000 + Mn Mn243 1.0 0.24305 0.43751 0.50000 1.0000 + Mn Mn244 1.0 0.20139 0.47917 0.50000 1.0000 + Mn Mn245 1.0 0.15972 0.52084 0.50000 1.0000 + Mn Mn246 1.0 0.11805 0.56251 0.50000 1.0000 + Mn Mn247 1.0 0.07639 0.60417 0.50000 1.0000 + Mn Mn248 1.0 0.03472 0.64584 0.50000 1.0000 + Mn Mn249 1.0 0.99305 0.68751 0.50000 1.0000 + Mn Mn250 1.0 0.95139 0.72917 0.50000 1.0000 + Mn Mn251 1.0 0.90972 0.77084 0.50000 1.0000 + Mn Mn252 1.0 0.86805 0.81251 0.50000 1.0000 + Mn Mn253 1.0 0.36805 0.39584 0.50000 1.0000 + Mn Mn254 1.0 0.32639 0.43751 0.50000 1.0000 + Mn Mn255 1.0 0.28472 0.47917 0.50000 1.0000 + Mn Mn256 1.0 0.24305 0.52084 0.50000 1.0000 + Mn Mn257 1.0 0.20139 0.56251 0.50000 1.0000 + Mn Mn258 1.0 0.15972 0.60417 0.50000 1.0000 + Mn Mn259 1.0 0.11805 0.64584 0.50000 1.0000 + Mn Mn260 1.0 0.07639 0.68751 0.50000 1.0000 + Mn Mn261 1.0 0.03472 0.72917 0.50000 1.0000 + Mn Mn262 1.0 0.99305 0.77084 0.50000 1.0000 + Mn Mn263 1.0 0.95139 0.81251 0.50000 1.0000 + Mn Mn264 1.0 0.90972 0.85417 0.50000 1.0000 + Mn Mn265 1.0 0.40972 0.43751 0.50000 1.0000 + Mn Mn266 1.0 0.36805 0.47917 0.50000 1.0000 + Mn Mn267 1.0 0.32639 0.52084 0.50000 1.0000 + Mn Mn268 1.0 0.28472 0.56251 0.50000 1.0000 + Mn Mn269 1.0 0.24305 0.60417 0.50000 1.0000 + Mn Mn270 1.0 0.20139 0.64584 0.50000 1.0000 + Mn Mn271 1.0 0.15972 0.68751 0.50000 1.0000 + Mn Mn272 1.0 0.11805 0.72917 0.50000 1.0000 + Mn Mn273 1.0 0.07639 0.77084 0.50000 1.0000 + Mn Mn274 1.0 0.03472 0.81251 0.50000 1.0000 + Mn Mn275 1.0 0.99305 0.85417 0.50000 1.0000 + Mn Mn276 1.0 0.95139 0.89584 0.50000 1.0000 + Mn Mn277 1.0 0.45139 0.47917 0.50000 1.0000 + Mn Mn278 1.0 0.40972 0.52084 0.50000 1.0000 + Mn Mn279 1.0 0.36805 0.56251 0.50000 1.0000 + Mn Mn280 1.0 0.32639 0.60417 0.50000 1.0000 + Mn Mn281 1.0 0.28472 0.64584 0.50000 1.0000 + Mn Mn282 1.0 0.24305 0.68751 0.50000 1.0000 + Mn Mn283 1.0 0.20139 0.72917 0.50000 1.0000 + Mn Mn284 1.0 0.15972 0.77084 0.50000 1.0000 + Mn Mn285 1.0 0.11805 0.81251 0.50000 1.0000 + Mn Mn286 1.0 0.07639 0.85417 0.50000 1.0000 + Mn Mn287 1.0 0.03472 0.89584 0.50000 1.0000 + Mn Mn288 1.0 0.99305 0.93751 0.50000 1.0000 + Ni Ni1 1.0 0.02083 0.02083 0.50000 1.0000 + Ni Ni2 1.0 0.97917 0.06250 0.50000 1.0000 + Ni Ni3 1.0 0.93750 0.10417 0.50000 1.0000 + Ni Ni4 1.0 0.89583 0.14583 0.50000 1.0000 + Ni Ni5 1.0 0.85417 0.18750 0.50000 1.0000 + Ni Ni6 1.0 0.81250 0.22917 0.50000 1.0000 + Ni Ni7 1.0 0.77083 0.27083 0.50000 1.0000 + Ni Ni8 1.0 0.72917 0.31250 0.50000 1.0000 + Ni Ni9 1.0 0.68750 0.35417 0.50000 1.0000 + Ni Ni10 1.0 0.64583 0.39583 0.50000 1.0000 + Ni Ni11 1.0 0.60417 0.43750 0.50000 1.0000 + Ni Ni12 1.0 0.56250 0.47917 0.50000 1.0000 + Ni Ni13 1.0 0.06250 0.06250 0.50000 1.0000 + Ni Ni14 1.0 0.02083 0.10417 0.50000 1.0000 + Ni Ni15 1.0 0.97917 0.14583 0.50000 1.0000 + Ni Ni16 1.0 0.93750 0.18750 0.50000 1.0000 + Ni Ni17 1.0 0.89583 0.22917 0.50000 1.0000 + Ni Ni18 1.0 0.85417 0.27083 0.50000 1.0000 + Ni Ni19 1.0 0.81250 0.31250 0.50000 1.0000 + Ni Ni20 1.0 0.77083 0.35417 0.50000 1.0000 + Ni Ni21 1.0 0.72917 0.39583 0.50000 1.0000 + Ni Ni22 1.0 0.68750 0.43750 0.50000 1.0000 + Ni Ni23 1.0 0.64583 0.47917 0.50000 1.0000 + Ni Ni24 1.0 0.60417 0.52083 0.50000 1.0000 + Ni Ni25 1.0 0.10417 0.10417 0.50000 1.0000 + Ni Ni26 1.0 0.06250 0.14583 0.50000 1.0000 + Ni Ni27 1.0 0.02083 0.18750 0.50000 1.0000 + Ni Ni28 1.0 0.97917 0.22917 0.50000 1.0000 + Ni Ni29 1.0 0.93750 0.27083 0.50000 1.0000 + Ni Ni30 1.0 0.89583 0.31250 0.50000 1.0000 + Ni Ni31 1.0 0.85417 0.35417 0.50000 1.0000 + Ni Ni32 1.0 0.81250 0.39583 0.50000 1.0000 + Ni Ni33 1.0 0.77083 0.43750 0.50000 1.0000 + Ni Ni34 1.0 0.72917 0.47917 0.50000 1.0000 + Ni Ni35 1.0 0.68750 0.52083 0.50000 1.0000 + Ni Ni36 1.0 0.64583 0.56250 0.50000 1.0000 + Ni Ni37 1.0 0.14583 0.14583 0.50000 1.0000 + Ni Ni38 1.0 0.10417 0.18750 0.50000 1.0000 + Ni Ni39 1.0 0.06250 0.22917 0.50000 1.0000 + Ni Ni40 1.0 0.02083 0.27083 0.50000 1.0000 + Ni Ni41 1.0 0.97917 0.31250 0.50000 1.0000 + Ni Ni42 1.0 0.93750 0.35417 0.50000 1.0000 + Ni Ni43 1.0 0.89583 0.39583 0.50000 1.0000 + Ni Ni44 1.0 0.85417 0.43750 0.50000 1.0000 + Ni Ni45 1.0 0.81250 0.47917 0.50000 1.0000 + Ni Ni46 1.0 0.77083 0.52083 0.50000 1.0000 + Ni Ni47 1.0 0.72917 0.56250 0.50000 1.0000 + Ni Ni48 1.0 0.68750 0.60417 0.50000 1.0000 + Ni Ni49 1.0 0.18750 0.18750 0.50000 1.0000 + Ni Ni50 1.0 0.14583 0.22917 0.50000 1.0000 + Ni Ni51 1.0 0.10417 0.27083 0.50000 1.0000 + Ni Ni52 1.0 0.06250 0.31250 0.50000 1.0000 + Ni Ni53 1.0 0.02083 0.35417 0.50000 1.0000 + Ni Ni54 1.0 0.97917 0.39583 0.50000 1.0000 + Ni Ni55 1.0 0.93750 0.43750 0.50000 1.0000 + Ni Ni56 1.0 0.89583 0.47917 0.50000 1.0000 + Ni Ni57 1.0 0.85417 0.52083 0.50000 1.0000 + Ni Ni58 1.0 0.81250 0.56250 0.50000 1.0000 + Ni Ni59 1.0 0.77083 0.60417 0.50000 1.0000 + Ni Ni60 1.0 0.72917 0.64583 0.50000 1.0000 + Ni Ni61 1.0 0.22917 0.22917 0.50000 1.0000 + Ni Ni62 1.0 0.18750 0.27083 0.50000 1.0000 + Ni Ni63 1.0 0.14583 0.31250 0.50000 1.0000 + Ni Ni64 1.0 0.10417 0.35417 0.50000 1.0000 + Ni Ni65 1.0 0.06250 0.39583 0.50000 1.0000 + Ni Ni66 1.0 0.02083 0.43750 0.50000 1.0000 + Ni Ni67 1.0 0.97917 0.47917 0.50000 1.0000 + Ni Ni68 1.0 0.93750 0.52083 0.50000 1.0000 + Ni Ni69 1.0 0.89583 0.56250 0.50000 1.0000 + Ni Ni70 1.0 0.85417 0.60417 0.50000 1.0000 + Ni Ni71 1.0 0.81250 0.64583 0.50000 1.0000 + Ni Ni72 1.0 0.77083 0.68750 0.50000 1.0000 + Ni Ni73 1.0 0.27083 0.27083 0.50000 1.0000 + Ni Ni74 1.0 0.22917 0.31250 0.50000 1.0000 + Ni Ni75 1.0 0.18750 0.35417 0.50000 1.0000 + Ni Ni76 1.0 0.14583 0.39583 0.50000 1.0000 + Ni Ni77 1.0 0.10417 0.43750 0.50000 1.0000 + Ni Ni78 1.0 0.06250 0.47917 0.50000 1.0000 + Ni Ni79 1.0 0.02083 0.52083 0.50000 1.0000 + Ni Ni80 1.0 0.97917 0.56250 0.50000 1.0000 + Ni Ni81 1.0 0.93750 0.60417 0.50000 1.0000 + Ni Ni82 1.0 0.89583 0.64583 0.50000 1.0000 + Ni Ni83 1.0 0.85417 0.68750 0.50000 1.0000 + Ni Ni84 1.0 0.81250 0.72917 0.50000 1.0000 + Ni Ni85 1.0 0.31250 0.31250 0.50000 1.0000 + Ni Ni86 1.0 0.27083 0.35417 0.50000 1.0000 + Ni Ni87 1.0 0.22917 0.39583 0.50000 1.0000 + Ni Ni88 1.0 0.18750 0.43750 0.50000 1.0000 + Ni Ni89 1.0 0.14583 0.47917 0.50000 1.0000 + Ni Ni90 1.0 0.10417 0.52083 0.50000 1.0000 + Ni Ni91 1.0 0.06250 0.56250 0.50000 1.0000 + Ni Ni92 1.0 0.02083 0.60417 0.50000 1.0000 + Ni Ni93 1.0 0.97917 0.64583 0.50000 1.0000 + Ni Ni94 1.0 0.93750 0.68750 0.50000 1.0000 + Ni Ni95 1.0 0.89583 0.72917 0.50000 1.0000 + Ni Ni96 1.0 0.85417 0.77083 0.50000 1.0000 + Ni Ni97 1.0 0.35417 0.35417 0.50000 1.0000 + Ni Ni98 1.0 0.31250 0.39583 0.50000 1.0000 + Ni Ni99 1.0 0.27083 0.43750 0.50000 1.0000 + Ni Ni100 1.0 0.22917 0.47917 0.50000 1.0000 + Ni Ni101 1.0 0.18750 0.52083 0.50000 1.0000 + Ni Ni102 1.0 0.14583 0.56250 0.50000 1.0000 + Ni Ni103 1.0 0.10417 0.60417 0.50000 1.0000 + Ni Ni104 1.0 0.06250 0.64583 0.50000 1.0000 + Ni Ni105 1.0 0.02083 0.68750 0.50000 1.0000 + Ni Ni106 1.0 0.97917 0.72917 0.50000 1.0000 + Ni Ni107 1.0 0.93750 0.77083 0.50000 1.0000 + Ni Ni108 1.0 0.89583 0.81250 0.50000 1.0000 + Ni Ni109 1.0 0.39583 0.39583 0.50000 1.0000 + Ni Ni110 1.0 0.35417 0.43750 0.50000 1.0000 + Ni Ni111 1.0 0.31250 0.47917 0.50000 1.0000 + Ni Ni112 1.0 0.27083 0.52083 0.50000 1.0000 + Ni Ni113 1.0 0.22917 0.56250 0.50000 1.0000 + Ni Ni114 1.0 0.18750 0.60417 0.50000 1.0000 + Ni Ni115 1.0 0.14583 0.64583 0.50000 1.0000 + Ni Ni116 1.0 0.10417 0.68750 0.50000 1.0000 + Ni Ni117 1.0 0.06250 0.72917 0.50000 1.0000 + Ni Ni118 1.0 0.02083 0.77083 0.50000 1.0000 + Ni Ni119 1.0 0.97917 0.81250 0.50000 1.0000 + Ni Ni120 1.0 0.93750 0.85417 0.50000 1.0000 + Ni Ni121 1.0 0.43750 0.43750 0.50000 1.0000 + Ni Ni122 1.0 0.39583 0.47917 0.50000 1.0000 + Ni Ni123 1.0 0.35417 0.52083 0.50000 1.0000 + Ni Ni124 1.0 0.31250 0.56250 0.50000 1.0000 + Ni Ni125 1.0 0.27083 0.60417 0.50000 1.0000 + Ni Ni126 1.0 0.22917 0.64583 0.50000 1.0000 + Ni Ni127 1.0 0.18750 0.68750 0.50000 1.0000 + Ni Ni128 1.0 0.14583 0.72917 0.50000 1.0000 + Ni Ni129 1.0 0.10417 0.77083 0.50000 1.0000 + Ni Ni130 1.0 0.06250 0.81250 0.50000 1.0000 + Ni Ni131 1.0 0.02083 0.85417 0.50000 1.0000 + Ni Ni132 1.0 0.97917 0.89583 0.50000 1.0000 + Ni Ni133 1.0 0.47917 0.47917 0.50000 1.0000 + Ni Ni134 1.0 0.43750 0.52083 0.50000 1.0000 + Ni Ni135 1.0 0.39583 0.56250 0.50000 1.0000 + Ni Ni136 1.0 0.35417 0.60417 0.50000 1.0000 + Ni Ni137 1.0 0.31250 0.64583 0.50000 1.0000 + Ni Ni138 1.0 0.27083 0.68750 0.50000 1.0000 + Ni Ni139 1.0 0.22917 0.72917 0.50000 1.0000 + Ni Ni140 1.0 0.18750 0.77083 0.50000 1.0000 + Ni Ni141 1.0 0.14583 0.81250 0.50000 1.0000 + Ni Ni142 1.0 0.10417 0.85417 0.50000 1.0000 + Ni Ni143 1.0 0.06250 0.89583 0.50000 1.0000 + Ni Ni144 1.0 0.02083 0.93750 0.50000 1.0000 + O O1 1.0 0.97917 0.03523 0.33810 1.0000 + O O2 1.0 0.93750 0.07689 0.33810 1.0000 + O O3 1.0 0.89584 0.11856 0.33810 1.0000 + O O4 1.0 0.85417 0.16023 0.33810 1.0000 + O O5 1.0 0.81250 0.20189 0.33810 1.0000 + O O6 1.0 0.77084 0.24356 0.33810 1.0000 + O O7 1.0 0.72917 0.28523 0.33810 1.0000 + O O8 1.0 0.68750 0.32689 0.33810 1.0000 + O O9 1.0 0.64584 0.36856 0.33810 1.0000 + O O10 1.0 0.60417 0.41023 0.33810 1.0000 + O O11 1.0 0.56250 0.45189 0.33810 1.0000 + O O12 1.0 0.52084 0.49356 0.33810 1.0000 + O O13 1.0 0.02084 0.07689 0.33810 1.0000 + O O14 1.0 0.97917 0.11856 0.33810 1.0000 + O O15 1.0 0.93750 0.16023 0.33810 1.0000 + O O16 1.0 0.89584 0.20189 0.33810 1.0000 + O O17 1.0 0.85417 0.24356 0.33810 1.0000 + O O18 1.0 0.81250 0.28523 0.33810 1.0000 + O O19 1.0 0.77084 0.32689 0.33810 1.0000 + O O20 1.0 0.72917 0.36856 0.33810 1.0000 + O O21 1.0 0.68750 0.41023 0.33810 1.0000 + O O22 1.0 0.64584 0.45189 0.33810 1.0000 + O O23 1.0 0.60417 0.49356 0.33810 1.0000 + O O24 1.0 0.56250 0.53523 0.33810 1.0000 + O O25 1.0 0.06250 0.11856 0.33810 1.0000 + O O26 1.0 0.02084 0.16023 0.33810 1.0000 + O O27 1.0 0.97917 0.20189 0.33810 1.0000 + O O28 1.0 0.93750 0.24356 0.33810 1.0000 + O O29 1.0 0.89584 0.28523 0.33810 1.0000 + O O30 1.0 0.85417 0.32689 0.33810 1.0000 + O O31 1.0 0.81250 0.36856 0.33810 1.0000 + O O32 1.0 0.77084 0.41023 0.33810 1.0000 + O O33 1.0 0.72917 0.45189 0.33810 1.0000 + O O34 1.0 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1.0000 + O O716 1.0 0.20115 0.78449 0.33778 1.0000 + O O717 1.0 0.15949 0.82615 0.33778 1.0000 + O O718 1.0 0.11782 0.86782 0.33778 1.0000 + O O719 1.0 0.07615 0.90949 0.33778 1.0000 + O O720 1.0 0.03449 0.95115 0.33778 1.0000 + O O721 1.0 0.02083 0.04811 0.66190 1.0000 + O O722 1.0 0.97916 0.08977 0.66190 1.0000 + O O723 1.0 0.93750 0.13144 0.66190 1.0000 + O O724 1.0 0.89583 0.17311 0.66190 1.0000 + O O725 1.0 0.85416 0.21477 0.66190 1.0000 + O O726 1.0 0.81250 0.25644 0.66190 1.0000 + O O727 1.0 0.77083 0.29811 0.66190 1.0000 + O O728 1.0 0.72916 0.33977 0.66190 1.0000 + O O729 1.0 0.68750 0.38144 0.66190 1.0000 + O O730 1.0 0.64583 0.42311 0.66190 1.0000 + O O731 1.0 0.60416 0.46477 0.66190 1.0000 + O O732 1.0 0.56250 0.50644 0.66190 1.0000 + O O733 1.0 0.06250 0.08977 0.66190 1.0000 + O O734 1.0 0.02083 0.13144 0.66190 1.0000 + O O735 1.0 0.97916 0.17311 0.66190 1.0000 + O O736 1.0 0.93750 0.21477 0.66190 1.0000 + O O737 1.0 0.89583 0.25644 0.66190 1.0000 + O O738 1.0 0.85416 0.29811 0.66190 1.0000 + O O739 1.0 0.81250 0.33977 0.66190 1.0000 + O O740 1.0 0.77083 0.38144 0.66190 1.0000 + O O741 1.0 0.72916 0.42311 0.66190 1.0000 + O O742 1.0 0.68750 0.46477 0.66190 1.0000 + O O743 1.0 0.64583 0.50644 0.66190 1.0000 + O O744 1.0 0.60416 0.54811 0.66190 1.0000 + O O745 1.0 0.10416 0.13144 0.66190 1.0000 + O O746 1.0 0.06250 0.17311 0.66190 1.0000 + O O747 1.0 0.02083 0.21477 0.66190 1.0000 + O O748 1.0 0.97916 0.25644 0.66190 1.0000 + O O749 1.0 0.93750 0.29811 0.66190 1.0000 + O O750 1.0 0.89583 0.33977 0.66190 1.0000 + O O751 1.0 0.85416 0.38144 0.66190 1.0000 + O O752 1.0 0.81250 0.42311 0.66190 1.0000 + O O753 1.0 0.77083 0.46477 0.66190 1.0000 + O O754 1.0 0.72916 0.50644 0.66190 1.0000 + O O755 1.0 0.68750 0.54811 0.66190 1.0000 + O O756 1.0 0.64583 0.58977 0.66190 1.0000 + O O757 1.0 0.14583 0.17311 0.66190 1.0000 + O O758 1.0 0.10416 0.21477 0.66190 1.0000 + O O759 1.0 0.06250 0.25644 0.66190 1.0000 + O O760 1.0 0.02083 0.29811 0.66190 1.0000 + O O761 1.0 0.97916 0.33977 0.66190 1.0000 + O O762 1.0 0.93750 0.38144 0.66190 1.0000 + O O763 1.0 0.89583 0.42311 0.66190 1.0000 + O O764 1.0 0.85416 0.46477 0.66190 1.0000 + O O765 1.0 0.81250 0.50644 0.66190 1.0000 + O O766 1.0 0.77083 0.54811 0.66190 1.0000 + O O767 1.0 0.72916 0.58977 0.66190 1.0000 + O O768 1.0 0.68750 0.63144 0.66190 1.0000 + O O769 1.0 0.18750 0.21477 0.66190 1.0000 + O O770 1.0 0.14583 0.25644 0.66190 1.0000 + O O771 1.0 0.10416 0.29811 0.66190 1.0000 + O O772 1.0 0.06250 0.33977 0.66190 1.0000 + O O773 1.0 0.02083 0.38144 0.66190 1.0000 + O O774 1.0 0.97916 0.42311 0.66190 1.0000 + O O775 1.0 0.93750 0.46477 0.66190 1.0000 + O O776 1.0 0.89583 0.50644 0.66190 1.0000 + O O777 1.0 0.85416 0.54811 0.66190 1.0000 + O O778 1.0 0.81250 0.58977 0.66190 1.0000 + O O779 1.0 0.77083 0.63144 0.66190 1.0000 + O O780 1.0 0.72916 0.67311 0.66190 1.0000 + O O781 1.0 0.22916 0.25644 0.66190 1.0000 + O O782 1.0 0.18750 0.29811 0.66190 1.0000 + O O783 1.0 0.14583 0.33977 0.66190 1.0000 + O O784 1.0 0.10416 0.38144 0.66190 1.0000 + O O785 1.0 0.06250 0.42311 0.66190 1.0000 + O O786 1.0 0.02083 0.46477 0.66190 1.0000 + O O787 1.0 0.97916 0.50644 0.66190 1.0000 + O O788 1.0 0.93750 0.54811 0.66190 1.0000 + O O789 1.0 0.89583 0.58977 0.66190 1.0000 + O O790 1.0 0.85416 0.63144 0.66190 1.0000 + O O791 1.0 0.81250 0.67311 0.66190 1.0000 + O O792 1.0 0.77083 0.71477 0.66190 1.0000 + O O793 1.0 0.27083 0.29811 0.66190 1.0000 + O O794 1.0 0.22916 0.33977 0.66190 1.0000 + O O795 1.0 0.18750 0.38144 0.66190 1.0000 + O O796 1.0 0.14583 0.42311 0.66190 1.0000 + O O797 1.0 0.10416 0.46477 0.66190 1.0000 + O O798 1.0 0.06250 0.50644 0.66190 1.0000 + O O799 1.0 0.02083 0.54811 0.66190 1.0000 + O O800 1.0 0.97916 0.58977 0.66190 1.0000 + O O801 1.0 0.93750 0.63144 0.66190 1.0000 + O O802 1.0 0.89583 0.67311 0.66190 1.0000 + O O803 1.0 0.85416 0.71477 0.66190 1.0000 + O O804 1.0 0.81250 0.75644 0.66190 1.0000 + O O805 1.0 0.31250 0.33977 0.66190 1.0000 + O O806 1.0 0.27083 0.38144 0.66190 1.0000 + O O807 1.0 0.22916 0.42311 0.66190 1.0000 + O O808 1.0 0.18750 0.46477 0.66190 1.0000 + O O809 1.0 0.14583 0.50644 0.66190 1.0000 + O O810 1.0 0.10416 0.54811 0.66190 1.0000 + O O811 1.0 0.06250 0.58977 0.66190 1.0000 + O O812 1.0 0.02083 0.63144 0.66190 1.0000 + O O813 1.0 0.97916 0.67311 0.66190 1.0000 + O O814 1.0 0.93750 0.71477 0.66190 1.0000 + O O815 1.0 0.89583 0.75644 0.66190 1.0000 + O O816 1.0 0.85416 0.79811 0.66190 1.0000 + O O817 1.0 0.35416 0.38144 0.66190 1.0000 + O O818 1.0 0.31250 0.42311 0.66190 1.0000 + O O819 1.0 0.27083 0.46477 0.66190 1.0000 + O O820 1.0 0.22916 0.50644 0.66190 1.0000 + O O821 1.0 0.18750 0.54811 0.66190 1.0000 + O O822 1.0 0.14583 0.58977 0.66190 1.0000 + O O823 1.0 0.10416 0.63144 0.66190 1.0000 + O O824 1.0 0.06250 0.67311 0.66190 1.0000 + O O825 1.0 0.02083 0.71477 0.66190 1.0000 + O O826 1.0 0.97916 0.75644 0.66190 1.0000 + O O827 1.0 0.93750 0.79811 0.66190 1.0000 + O O828 1.0 0.89583 0.83977 0.66190 1.0000 + O O829 1.0 0.39583 0.42311 0.66190 1.0000 + O O830 1.0 0.35416 0.46477 0.66190 1.0000 + O O831 1.0 0.31250 0.50644 0.66190 1.0000 + O O832 1.0 0.27083 0.54811 0.66190 1.0000 + O O833 1.0 0.22916 0.58977 0.66190 1.0000 + O O834 1.0 0.18750 0.63144 0.66190 1.0000 + O O835 1.0 0.14583 0.67311 0.66190 1.0000 + O O836 1.0 0.10416 0.71477 0.66190 1.0000 + O O837 1.0 0.06250 0.75644 0.66190 1.0000 + O O838 1.0 0.02083 0.79811 0.66190 1.0000 + O O839 1.0 0.97916 0.83977 0.66190 1.0000 + O O840 1.0 0.93750 0.88144 0.66190 1.0000 + O O841 1.0 0.43750 0.46477 0.66190 1.0000 + O O842 1.0 0.39583 0.50644 0.66190 1.0000 + O O843 1.0 0.35416 0.54811 0.66190 1.0000 + O O844 1.0 0.31250 0.58977 0.66190 1.0000 + O O845 1.0 0.27083 0.63144 0.66190 1.0000 + O O846 1.0 0.22916 0.67311 0.66190 1.0000 + O O847 1.0 0.18750 0.71477 0.66190 1.0000 + O O848 1.0 0.14583 0.75644 0.66190 1.0000 + O O849 1.0 0.10416 0.79811 0.66190 1.0000 + O O850 1.0 0.06250 0.83977 0.66190 1.0000 + O O851 1.0 0.02083 0.88144 0.66190 1.0000 + O O852 1.0 0.97916 0.92311 0.66190 1.0000 + O O853 1.0 0.47916 0.50644 0.66190 1.0000 + O O854 1.0 0.43750 0.54811 0.66190 1.0000 + O O855 1.0 0.39583 0.58977 0.66190 1.0000 + O O856 1.0 0.35416 0.63144 0.66190 1.0000 + O O857 1.0 0.31250 0.67311 0.66190 1.0000 + O O858 1.0 0.27083 0.71477 0.66190 1.0000 + O O859 1.0 0.22916 0.75644 0.66190 1.0000 + O O860 1.0 0.18750 0.79811 0.66190 1.0000 + O O861 1.0 0.14583 0.83977 0.66190 1.0000 + O O862 1.0 0.10416 0.88144 0.66190 1.0000 + O O863 1.0 0.06250 0.92311 0.66190 1.0000 + O O864 1.0 0.02083 0.96477 0.66190 1.0000 + Mn Mn289 1.0 0.50695 0.56249 0.50000 1.0000 + Mn Mn290 1.0 0.46528 0.60416 0.50000 1.0000 + Mn Mn291 1.0 0.42361 0.64583 0.50000 1.0000 + Mn Mn292 1.0 0.38195 0.68749 0.50000 1.0000 + Mn Mn293 1.0 0.34028 0.72916 0.50000 1.0000 + Mn Mn294 1.0 0.29861 0.77083 0.50000 1.0000 + Mn Mn295 1.0 0.25695 0.81249 0.50000 1.0000 + Mn Mn296 1.0 0.21528 0.85416 0.50000 1.0000 + Mn Mn297 1.0 0.17361 0.89583 0.50000 1.0000 + Mn Mn298 1.0 0.13195 0.93749 0.50000 1.0000 + Mn Mn299 1.0 0.09028 0.97916 0.50000 1.0000 + Mn Mn300 1.0 0.04861 0.02083 0.50000 1.0000 + Mn Mn301 1.0 0.54861 0.60416 0.50000 1.0000 + Mn Mn302 1.0 0.50695 0.64583 0.50000 1.0000 + Mn Mn303 1.0 0.46528 0.68749 0.50000 1.0000 + Mn Mn304 1.0 0.42361 0.72916 0.50000 1.0000 + Mn Mn305 1.0 0.38195 0.77083 0.50000 1.0000 + Mn Mn306 1.0 0.34028 0.81249 0.50000 1.0000 + Mn Mn307 1.0 0.29861 0.85416 0.50000 1.0000 + Mn Mn308 1.0 0.25695 0.89583 0.50000 1.0000 + Mn Mn309 1.0 0.21528 0.93749 0.50000 1.0000 + Mn Mn310 1.0 0.17361 0.97916 0.50000 1.0000 + Mn Mn311 1.0 0.13195 0.02083 0.50000 1.0000 + Mn Mn312 1.0 0.09028 0.06249 0.50000 1.0000 + Mn Mn313 1.0 0.59028 0.64583 0.50000 1.0000 + Mn Mn314 1.0 0.54861 0.68749 0.50000 1.0000 + Mn Mn315 1.0 0.50695 0.72916 0.50000 1.0000 + Mn Mn316 1.0 0.46528 0.77083 0.50000 1.0000 + Mn Mn317 1.0 0.42361 0.81249 0.50000 1.0000 + Mn Mn318 1.0 0.38195 0.85416 0.50000 1.0000 + Mn Mn319 1.0 0.34028 0.89583 0.50000 1.0000 + Mn Mn320 1.0 0.29861 0.93749 0.50000 1.0000 + Mn Mn321 1.0 0.25695 0.97916 0.50000 1.0000 + Mn Mn322 1.0 0.21528 0.02083 0.50000 1.0000 + Mn Mn323 1.0 0.17361 0.06249 0.50000 1.0000 + Mn Mn324 1.0 0.13195 0.10416 0.50000 1.0000 + Mn Mn325 1.0 0.63195 0.68749 0.50000 1.0000 + Mn Mn326 1.0 0.59028 0.72916 0.50000 1.0000 + Mn Mn327 1.0 0.54861 0.77083 0.50000 1.0000 + Mn Mn328 1.0 0.50695 0.81249 0.50000 1.0000 + Mn Mn329 1.0 0.46528 0.85416 0.50000 1.0000 + Mn Mn330 1.0 0.42361 0.89583 0.50000 1.0000 + Mn Mn331 1.0 0.38195 0.93749 0.50000 1.0000 + Mn Mn332 1.0 0.34028 0.97916 0.50000 1.0000 + Mn Mn333 1.0 0.29861 0.02083 0.50000 1.0000 + Mn Mn334 1.0 0.25695 0.06249 0.50000 1.0000 + Mn Mn335 1.0 0.21528 0.10416 0.50000 1.0000 + Mn Mn336 1.0 0.17361 0.14583 0.50000 1.0000 + Mn Mn337 1.0 0.67361 0.72916 0.50000 1.0000 + Mn Mn338 1.0 0.63195 0.77083 0.50000 1.0000 + Mn Mn339 1.0 0.59028 0.81249 0.50000 1.0000 + Mn Mn340 1.0 0.54861 0.85416 0.50000 1.0000 + Mn Mn341 1.0 0.50695 0.89583 0.50000 1.0000 + Mn Mn342 1.0 0.46528 0.93749 0.50000 1.0000 + Mn Mn343 1.0 0.42361 0.97916 0.50000 1.0000 + Mn Mn344 1.0 0.38195 0.02083 0.50000 1.0000 + Mn Mn345 1.0 0.34028 0.06249 0.50000 1.0000 + Mn Mn346 1.0 0.29861 0.10416 0.50000 1.0000 + Mn Mn347 1.0 0.25695 0.14583 0.50000 1.0000 + Mn Mn348 1.0 0.21528 0.18749 0.50000 1.0000 + Mn Mn349 1.0 0.71528 0.77083 0.50000 1.0000 + Mn Mn350 1.0 0.67361 0.81249 0.50000 1.0000 + Mn Mn351 1.0 0.63195 0.85416 0.50000 1.0000 + Mn Mn352 1.0 0.59028 0.89583 0.50000 1.0000 + Mn Mn353 1.0 0.54861 0.93749 0.50000 1.0000 + Mn Mn354 1.0 0.50695 0.97916 0.50000 1.0000 + Mn Mn355 1.0 0.46528 0.02083 0.50000 1.0000 + Mn Mn356 1.0 0.42361 0.06249 0.50000 1.0000 + Mn Mn357 1.0 0.38195 0.10416 0.50000 1.0000 + Mn Mn358 1.0 0.34028 0.14583 0.50000 1.0000 + Mn Mn359 1.0 0.29861 0.18749 0.50000 1.0000 + Mn Mn360 1.0 0.25695 0.22916 0.50000 1.0000 + Mn Mn361 1.0 0.75695 0.81249 0.50000 1.0000 + Mn Mn362 1.0 0.71528 0.85416 0.50000 1.0000 + Mn Mn363 1.0 0.67361 0.89583 0.50000 1.0000 + Mn Mn364 1.0 0.63195 0.93749 0.50000 1.0000 + Mn Mn365 1.0 0.59028 0.97916 0.50000 1.0000 + Mn Mn366 1.0 0.54861 0.02083 0.50000 1.0000 + Mn Mn367 1.0 0.50695 0.06249 0.50000 1.0000 + Mn Mn368 1.0 0.46528 0.10416 0.50000 1.0000 + Mn Mn369 1.0 0.42361 0.14583 0.50000 1.0000 + Mn Mn370 1.0 0.38195 0.18749 0.50000 1.0000 + Mn Mn371 1.0 0.34028 0.22916 0.50000 1.0000 + Mn Mn372 1.0 0.29861 0.27083 0.50000 1.0000 + Mn Mn373 1.0 0.79861 0.85416 0.50000 1.0000 + Mn Mn374 1.0 0.75695 0.89583 0.50000 1.0000 + Mn Mn375 1.0 0.71528 0.93749 0.50000 1.0000 + Mn Mn376 1.0 0.67361 0.97916 0.50000 1.0000 + Mn Mn377 1.0 0.63195 0.02083 0.50000 1.0000 + Mn Mn378 1.0 0.59028 0.06249 0.50000 1.0000 + Mn Mn379 1.0 0.54861 0.10416 0.50000 1.0000 + Mn Mn380 1.0 0.50695 0.14583 0.50000 1.0000 + Mn Mn381 1.0 0.46528 0.18749 0.50000 1.0000 + Mn Mn382 1.0 0.42361 0.22916 0.50000 1.0000 + Mn Mn383 1.0 0.38195 0.27083 0.50000 1.0000 + Mn Mn384 1.0 0.34028 0.31249 0.50000 1.0000 + Mn Mn385 1.0 0.84028 0.89583 0.50000 1.0000 + Mn Mn386 1.0 0.79861 0.93749 0.50000 1.0000 + Mn Mn387 1.0 0.75695 0.97916 0.50000 1.0000 + Mn Mn388 1.0 0.71528 0.02083 0.50000 1.0000 + Mn Mn389 1.0 0.67361 0.06249 0.50000 1.0000 + Mn Mn390 1.0 0.63195 0.10416 0.50000 1.0000 + Mn Mn391 1.0 0.59028 0.14583 0.50000 1.0000 + Mn Mn392 1.0 0.54861 0.18749 0.50000 1.0000 + Mn Mn393 1.0 0.50695 0.22916 0.50000 1.0000 + Mn Mn394 1.0 0.46528 0.27083 0.50000 1.0000 + Mn Mn395 1.0 0.42361 0.31249 0.50000 1.0000 + Mn Mn396 1.0 0.38195 0.35416 0.50000 1.0000 + Mn Mn397 1.0 0.88195 0.93749 0.50000 1.0000 + Mn Mn398 1.0 0.84028 0.97916 0.50000 1.0000 + Mn Mn399 1.0 0.79861 0.02083 0.50000 1.0000 + Mn Mn400 1.0 0.75695 0.06249 0.50000 1.0000 + Mn Mn401 1.0 0.71528 0.10416 0.50000 1.0000 + Mn Mn402 1.0 0.67361 0.14583 0.50000 1.0000 + Mn Mn403 1.0 0.63195 0.18749 0.50000 1.0000 + Mn Mn404 1.0 0.59028 0.22916 0.50000 1.0000 + Mn Mn405 1.0 0.54861 0.27083 0.50000 1.0000 + Mn Mn406 1.0 0.50695 0.31249 0.50000 1.0000 + Mn Mn407 1.0 0.46528 0.35416 0.50000 1.0000 + Mn Mn408 1.0 0.42361 0.39583 0.50000 1.0000 + Mn Mn409 1.0 0.92361 0.97916 0.50000 1.0000 + Mn Mn410 1.0 0.88195 0.02083 0.50000 1.0000 + Mn Mn411 1.0 0.84028 0.06249 0.50000 1.0000 + Mn Mn412 1.0 0.79861 0.10416 0.50000 1.0000 + Mn Mn413 1.0 0.75695 0.14583 0.50000 1.0000 + Mn Mn414 1.0 0.71528 0.18749 0.50000 1.0000 + Mn Mn415 1.0 0.67361 0.22916 0.50000 1.0000 + Mn Mn416 1.0 0.63195 0.27083 0.50000 1.0000 + Mn Mn417 1.0 0.59028 0.31249 0.50000 1.0000 + Mn Mn418 1.0 0.54861 0.35416 0.50000 1.0000 + Mn Mn419 1.0 0.50695 0.39583 0.50000 1.0000 + Mn Mn420 1.0 0.46528 0.43749 0.50000 1.0000 + Mn Mn421 1.0 0.96528 0.02083 0.50000 1.0000 + Mn Mn422 1.0 0.92361 0.06249 0.50000 1.0000 + Mn Mn423 1.0 0.88195 0.10416 0.50000 1.0000 + Mn Mn424 1.0 0.84028 0.14583 0.50000 1.0000 + Mn Mn425 1.0 0.79861 0.18749 0.50000 1.0000 + Mn Mn426 1.0 0.75695 0.22916 0.50000 1.0000 + Mn Mn427 1.0 0.71528 0.27083 0.50000 1.0000 + Mn Mn428 1.0 0.67361 0.31249 0.50000 1.0000 + Mn Mn429 1.0 0.63195 0.35416 0.50000 1.0000 + Mn Mn430 1.0 0.59028 0.39583 0.50000 1.0000 + Mn Mn431 1.0 0.54861 0.43749 0.50000 1.0000 + Mn Mn432 1.0 0.50695 0.47916 0.50000 1.0000 + Mn Mn433 1.0 0.49305 0.52084 0.50000 1.0000 + Mn Mn434 1.0 0.45139 0.56251 0.50000 1.0000 + Mn Mn435 1.0 0.40972 0.60417 0.50000 1.0000 + Mn Mn436 1.0 0.36805 0.64584 0.50000 1.0000 + Mn Mn437 1.0 0.32639 0.68751 0.50000 1.0000 + Mn Mn438 1.0 0.28472 0.72917 0.50000 1.0000 + Mn Mn439 1.0 0.24305 0.77084 0.50000 1.0000 + Mn Mn440 1.0 0.20139 0.81251 0.50000 1.0000 + Mn Mn441 1.0 0.15972 0.85417 0.50000 1.0000 + Mn Mn442 1.0 0.11805 0.89584 0.50000 1.0000 + Mn Mn443 1.0 0.07639 0.93751 0.50000 1.0000 + Mn Mn444 1.0 0.03472 0.97917 0.50000 1.0000 + Mn Mn445 1.0 0.53472 0.56251 0.50000 1.0000 + Mn Mn446 1.0 0.49305 0.60417 0.50000 1.0000 + Mn Mn447 1.0 0.45139 0.64584 0.50000 1.0000 + Mn Mn448 1.0 0.40972 0.68751 0.50000 1.0000 + Mn Mn449 1.0 0.36805 0.72917 0.50000 1.0000 + Mn Mn450 1.0 0.32639 0.77084 0.50000 1.0000 + Mn Mn451 1.0 0.28472 0.81251 0.50000 1.0000 + Mn Mn452 1.0 0.24305 0.85417 0.50000 1.0000 + Mn Mn453 1.0 0.20139 0.89584 0.50000 1.0000 + Mn Mn454 1.0 0.15972 0.93751 0.50000 1.0000 + Mn Mn455 1.0 0.11805 0.97917 0.50000 1.0000 + Mn Mn456 1.0 0.07639 0.02084 0.50000 1.0000 + Mn Mn457 1.0 0.57639 0.60417 0.50000 1.0000 + Mn Mn458 1.0 0.53472 0.64584 0.50000 1.0000 + Mn Mn459 1.0 0.49305 0.68751 0.50000 1.0000 + Mn Mn460 1.0 0.45139 0.72917 0.50000 1.0000 + Mn Mn461 1.0 0.40972 0.77084 0.50000 1.0000 + Mn Mn462 1.0 0.36805 0.81251 0.50000 1.0000 + Mn Mn463 1.0 0.32639 0.85417 0.50000 1.0000 + Mn Mn464 1.0 0.28472 0.89584 0.50000 1.0000 + Mn Mn465 1.0 0.24305 0.93751 0.50000 1.0000 + Mn Mn466 1.0 0.20139 0.97917 0.50000 1.0000 + Mn Mn467 1.0 0.15972 0.02084 0.50000 1.0000 + Mn Mn468 1.0 0.11805 0.06251 0.50000 1.0000 + Mn Mn469 1.0 0.61805 0.64584 0.50000 1.0000 + Mn Mn470 1.0 0.57639 0.68751 0.50000 1.0000 + Mn Mn471 1.0 0.53472 0.72917 0.50000 1.0000 + Mn Mn472 1.0 0.49305 0.77084 0.50000 1.0000 + Mn Mn473 1.0 0.45139 0.81251 0.50000 1.0000 + Mn Mn474 1.0 0.40972 0.85417 0.50000 1.0000 + Mn Mn475 1.0 0.36805 0.89584 0.50000 1.0000 + Mn Mn476 1.0 0.32639 0.93751 0.50000 1.0000 + Mn Mn477 1.0 0.28472 0.97917 0.50000 1.0000 + Mn Mn478 1.0 0.24305 0.02084 0.50000 1.0000 + Mn Mn479 1.0 0.20139 0.06251 0.50000 1.0000 + Mn Mn480 1.0 0.15972 0.10417 0.50000 1.0000 + Mn Mn481 1.0 0.65972 0.68751 0.50000 1.0000 + Mn Mn482 1.0 0.61805 0.72917 0.50000 1.0000 + Mn Mn483 1.0 0.57639 0.77084 0.50000 1.0000 + Mn Mn484 1.0 0.53472 0.81251 0.50000 1.0000 + Mn Mn485 1.0 0.49305 0.85417 0.50000 1.0000 + Mn Mn486 1.0 0.45139 0.89584 0.50000 1.0000 + Mn Mn487 1.0 0.40972 0.93751 0.50000 1.0000 + Mn Mn488 1.0 0.36805 0.97917 0.50000 1.0000 + Mn Mn489 1.0 0.32639 0.02084 0.50000 1.0000 + Mn Mn490 1.0 0.28472 0.06251 0.50000 1.0000 + Mn Mn491 1.0 0.24305 0.10417 0.50000 1.0000 + Mn Mn492 1.0 0.20139 0.14584 0.50000 1.0000 + Mn Mn493 1.0 0.70139 0.72917 0.50000 1.0000 + Mn Mn494 1.0 0.65972 0.77084 0.50000 1.0000 + Mn Mn495 1.0 0.61805 0.81251 0.50000 1.0000 + Mn Mn496 1.0 0.57639 0.85417 0.50000 1.0000 + Mn Mn497 1.0 0.53472 0.89584 0.50000 1.0000 + Mn Mn498 1.0 0.49305 0.93751 0.50000 1.0000 + Mn Mn499 1.0 0.45139 0.97917 0.50000 1.0000 + Mn Mn500 1.0 0.40972 0.02084 0.50000 1.0000 + Mn Mn501 1.0 0.36805 0.06251 0.50000 1.0000 + Mn Mn502 1.0 0.32639 0.10417 0.50000 1.0000 + Mn Mn503 1.0 0.28472 0.14584 0.50000 1.0000 + Mn Mn504 1.0 0.24305 0.18751 0.50000 1.0000 + Mn Mn505 1.0 0.74305 0.77084 0.50000 1.0000 + Mn Mn506 1.0 0.70139 0.81251 0.50000 1.0000 + Mn Mn507 1.0 0.65972 0.85417 0.50000 1.0000 + Mn Mn508 1.0 0.61805 0.89584 0.50000 1.0000 + Mn Mn509 1.0 0.57639 0.93751 0.50000 1.0000 + Mn Mn510 1.0 0.53472 0.97917 0.50000 1.0000 + Mn Mn511 1.0 0.49305 0.02084 0.50000 1.0000 + Mn Mn512 1.0 0.45139 0.06251 0.50000 1.0000 + Mn Mn513 1.0 0.40972 0.10417 0.50000 1.0000 + Mn Mn514 1.0 0.36805 0.14584 0.50000 1.0000 + Mn Mn515 1.0 0.32639 0.18751 0.50000 1.0000 + Mn Mn516 1.0 0.28472 0.22917 0.50000 1.0000 + Mn Mn517 1.0 0.78472 0.81251 0.50000 1.0000 + Mn Mn518 1.0 0.74305 0.85417 0.50000 1.0000 + Mn Mn519 1.0 0.70139 0.89584 0.50000 1.0000 + Mn Mn520 1.0 0.65972 0.93751 0.50000 1.0000 + Mn Mn521 1.0 0.61805 0.97917 0.50000 1.0000 + Mn Mn522 1.0 0.57639 0.02084 0.50000 1.0000 + Mn Mn523 1.0 0.53472 0.06251 0.50000 1.0000 + Mn Mn524 1.0 0.49305 0.10417 0.50000 1.0000 + Mn Mn525 1.0 0.45139 0.14584 0.50000 1.0000 + Mn Mn526 1.0 0.40972 0.18751 0.50000 1.0000 + Mn Mn527 1.0 0.36805 0.22917 0.50000 1.0000 + Mn Mn528 1.0 0.32639 0.27084 0.50000 1.0000 + Mn Mn529 1.0 0.82639 0.85417 0.50000 1.0000 + Mn Mn530 1.0 0.78472 0.89584 0.50000 1.0000 + Mn Mn531 1.0 0.74305 0.93751 0.50000 1.0000 + Mn Mn532 1.0 0.70139 0.97917 0.50000 1.0000 + Mn Mn533 1.0 0.65972 0.02084 0.50000 1.0000 + Mn Mn534 1.0 0.61805 0.06251 0.50000 1.0000 + Mn Mn535 1.0 0.57639 0.10417 0.50000 1.0000 + Mn Mn536 1.0 0.53472 0.14584 0.50000 1.0000 + Mn Mn537 1.0 0.49305 0.18751 0.50000 1.0000 + Mn Mn538 1.0 0.45139 0.22917 0.50000 1.0000 + Mn Mn539 1.0 0.40972 0.27084 0.50000 1.0000 + Mn Mn540 1.0 0.36805 0.31251 0.50000 1.0000 + Mn Mn541 1.0 0.86805 0.89584 0.50000 1.0000 + Mn Mn542 1.0 0.82639 0.93751 0.50000 1.0000 + Mn Mn543 1.0 0.78472 0.97917 0.50000 1.0000 + Mn Mn544 1.0 0.74305 0.02084 0.50000 1.0000 + Mn Mn545 1.0 0.70139 0.06251 0.50000 1.0000 + Mn Mn546 1.0 0.65972 0.10417 0.50000 1.0000 + Mn Mn547 1.0 0.61805 0.14584 0.50000 1.0000 + Mn Mn548 1.0 0.57639 0.18751 0.50000 1.0000 + Mn Mn549 1.0 0.53472 0.22917 0.50000 1.0000 + Mn Mn550 1.0 0.49305 0.27084 0.50000 1.0000 + Mn Mn551 1.0 0.45139 0.31251 0.50000 1.0000 + Mn Mn552 1.0 0.40972 0.35417 0.50000 1.0000 + Mn Mn553 1.0 0.90972 0.93751 0.50000 1.0000 + Mn Mn554 1.0 0.86805 0.97917 0.50000 1.0000 + Mn Mn555 1.0 0.82639 0.02084 0.50000 1.0000 + Mn Mn556 1.0 0.78472 0.06251 0.50000 1.0000 + Mn Mn557 1.0 0.74305 0.10417 0.50000 1.0000 + Mn Mn558 1.0 0.70139 0.14584 0.50000 1.0000 + Mn Mn559 1.0 0.65972 0.18751 0.50000 1.0000 + Mn Mn560 1.0 0.61805 0.22917 0.50000 1.0000 + Mn Mn561 1.0 0.57639 0.27084 0.50000 1.0000 + Mn Mn562 1.0 0.53472 0.31251 0.50000 1.0000 + Mn Mn563 1.0 0.49305 0.35417 0.50000 1.0000 + Mn Mn564 1.0 0.45139 0.39584 0.50000 1.0000 + Mn Mn565 1.0 0.95139 0.97917 0.50000 1.0000 + Mn Mn566 1.0 0.90972 0.02084 0.50000 1.0000 + Mn Mn567 1.0 0.86805 0.06251 0.50000 1.0000 + Mn Mn568 1.0 0.82639 0.10417 0.50000 1.0000 + Mn Mn569 1.0 0.78472 0.14584 0.50000 1.0000 + Mn Mn570 1.0 0.74305 0.18751 0.50000 1.0000 + Mn Mn571 1.0 0.70139 0.22917 0.50000 1.0000 + Mn Mn572 1.0 0.65972 0.27084 0.50000 1.0000 + Mn Mn573 1.0 0.61805 0.31251 0.50000 1.0000 + Mn Mn574 1.0 0.57639 0.35417 0.50000 1.0000 + Mn Mn575 1.0 0.53472 0.39584 0.50000 1.0000 + Mn Mn576 1.0 0.49305 0.43751 0.50000 1.0000 + Ni Ni145 1.0 0.52083 0.52083 0.50000 1.0000 + Ni Ni146 1.0 0.47917 0.56250 0.50000 1.0000 + Ni Ni147 1.0 0.43750 0.60417 0.50000 1.0000 + Ni Ni148 1.0 0.39583 0.64583 0.50000 1.0000 + Ni Ni149 1.0 0.35417 0.68750 0.50000 1.0000 + Ni Ni150 1.0 0.31250 0.72917 0.50000 1.0000 + Ni Ni151 1.0 0.27083 0.77083 0.50000 1.0000 + Ni Ni152 1.0 0.22917 0.81250 0.50000 1.0000 + Ni Ni153 1.0 0.18750 0.85417 0.50000 1.0000 + Ni Ni154 1.0 0.14583 0.89583 0.50000 1.0000 + Ni Ni155 1.0 0.10417 0.93750 0.50000 1.0000 + Ni Ni156 1.0 0.06250 0.97917 0.50000 1.0000 + Ni Ni157 1.0 0.56250 0.56250 0.50000 1.0000 + Ni Ni158 1.0 0.52083 0.60417 0.50000 1.0000 + Ni Ni159 1.0 0.47917 0.64583 0.50000 1.0000 + Ni Ni160 1.0 0.43750 0.68750 0.50000 1.0000 + Ni Ni161 1.0 0.39583 0.72917 0.50000 1.0000 + Ni Ni162 1.0 0.35417 0.77083 0.50000 1.0000 + Ni Ni163 1.0 0.31250 0.81250 0.50000 1.0000 + Ni Ni164 1.0 0.27083 0.85417 0.50000 1.0000 + Ni Ni165 1.0 0.22917 0.89583 0.50000 1.0000 + Ni Ni166 1.0 0.18750 0.93750 0.50000 1.0000 + Ni Ni167 1.0 0.14583 0.97917 0.50000 1.0000 + Ni Ni168 1.0 0.10417 0.02083 0.50000 1.0000 + Ni Ni169 1.0 0.60417 0.60417 0.50000 1.0000 + Ni Ni170 1.0 0.56250 0.64583 0.50000 1.0000 + Ni Ni171 1.0 0.52083 0.68750 0.50000 1.0000 + Ni Ni172 1.0 0.47917 0.72917 0.50000 1.0000 + Ni Ni173 1.0 0.43750 0.77083 0.50000 1.0000 + Ni Ni174 1.0 0.39583 0.81250 0.50000 1.0000 + Ni Ni175 1.0 0.35417 0.85417 0.50000 1.0000 + Ni Ni176 1.0 0.31250 0.89583 0.50000 1.0000 + Ni Ni177 1.0 0.27083 0.93750 0.50000 1.0000 + Ni Ni178 1.0 0.22917 0.97917 0.50000 1.0000 + Ni Ni179 1.0 0.18750 0.02083 0.50000 1.0000 + Ni Ni180 1.0 0.14583 0.06250 0.50000 1.0000 + Ni Ni181 1.0 0.64583 0.64583 0.50000 1.0000 + Ni Ni182 1.0 0.60417 0.68750 0.50000 1.0000 + Ni Ni183 1.0 0.56250 0.72917 0.50000 1.0000 + Ni Ni184 1.0 0.52083 0.77083 0.50000 1.0000 + Ni Ni185 1.0 0.47917 0.81250 0.50000 1.0000 + Ni Ni186 1.0 0.43750 0.85417 0.50000 1.0000 + Ni Ni187 1.0 0.39583 0.89583 0.50000 1.0000 + Ni Ni188 1.0 0.35417 0.93750 0.50000 1.0000 + Ni Ni189 1.0 0.31250 0.97917 0.50000 1.0000 + Ni Ni190 1.0 0.27083 0.02083 0.50000 1.0000 + Ni Ni191 1.0 0.22917 0.06250 0.50000 1.0000 + Ni Ni192 1.0 0.18750 0.10417 0.50000 1.0000 + Ni Ni193 1.0 0.68750 0.68750 0.50000 1.0000 + Ni Ni194 1.0 0.64583 0.72917 0.50000 1.0000 + Ni Ni195 1.0 0.60417 0.77083 0.50000 1.0000 + Ni Ni196 1.0 0.56250 0.81250 0.50000 1.0000 + Ni Ni197 1.0 0.52083 0.85417 0.50000 1.0000 + Ni Ni198 1.0 0.47917 0.89583 0.50000 1.0000 + Ni Ni199 1.0 0.43750 0.93750 0.50000 1.0000 + Ni Ni200 1.0 0.39583 0.97917 0.50000 1.0000 + Ni Ni201 1.0 0.35417 0.02083 0.50000 1.0000 + Ni Ni202 1.0 0.31250 0.06250 0.50000 1.0000 + Ni Ni203 1.0 0.27083 0.10417 0.50000 1.0000 + Ni Ni204 1.0 0.22917 0.14583 0.50000 1.0000 + Ni Ni205 1.0 0.72917 0.72917 0.50000 1.0000 + Ni Ni206 1.0 0.68750 0.77083 0.50000 1.0000 + Ni Ni207 1.0 0.64583 0.81250 0.50000 1.0000 + Ni Ni208 1.0 0.60417 0.85417 0.50000 1.0000 + Ni Ni209 1.0 0.56250 0.89583 0.50000 1.0000 + Ni Ni210 1.0 0.52083 0.93750 0.50000 1.0000 + Ni Ni211 1.0 0.47917 0.97917 0.50000 1.0000 + Ni Ni212 1.0 0.43750 0.02083 0.50000 1.0000 + Ni Ni213 1.0 0.39583 0.06250 0.50000 1.0000 + Ni Ni214 1.0 0.35417 0.10417 0.50000 1.0000 + Ni Ni215 1.0 0.31250 0.14583 0.50000 1.0000 + Ni Ni216 1.0 0.27083 0.18750 0.50000 1.0000 + Ni Ni217 1.0 0.77083 0.77083 0.50000 1.0000 + Ni Ni218 1.0 0.72917 0.81250 0.50000 1.0000 + Ni Ni219 1.0 0.68750 0.85417 0.50000 1.0000 + Ni Ni220 1.0 0.64583 0.89583 0.50000 1.0000 + Ni Ni221 1.0 0.60417 0.93750 0.50000 1.0000 + Ni Ni222 1.0 0.56250 0.97917 0.50000 1.0000 + Ni Ni223 1.0 0.52083 0.02083 0.50000 1.0000 + Ni Ni224 1.0 0.47917 0.06250 0.50000 1.0000 + Ni Ni225 1.0 0.43750 0.10417 0.50000 1.0000 + Ni Ni226 1.0 0.39583 0.14583 0.50000 1.0000 + Ni Ni227 1.0 0.35417 0.18750 0.50000 1.0000 + Ni Ni228 1.0 0.31250 0.22917 0.50000 1.0000 + Ni Ni229 1.0 0.81250 0.81250 0.50000 1.0000 + Ni Ni230 1.0 0.77083 0.85417 0.50000 1.0000 + Ni Ni231 1.0 0.72917 0.89583 0.50000 1.0000 + Ni Ni232 1.0 0.68750 0.93750 0.50000 1.0000 + Ni Ni233 1.0 0.64583 0.97917 0.50000 1.0000 + Ni Ni234 1.0 0.60417 0.02083 0.50000 1.0000 + Ni Ni235 1.0 0.56250 0.06250 0.50000 1.0000 + Ni Ni236 1.0 0.52083 0.10417 0.50000 1.0000 + Ni Ni237 1.0 0.47917 0.14583 0.50000 1.0000 + Ni Ni238 1.0 0.43750 0.18750 0.50000 1.0000 + Ni Ni239 1.0 0.39583 0.22917 0.50000 1.0000 + Ni Ni240 1.0 0.35417 0.27083 0.50000 1.0000 + Ni Ni241 1.0 0.85417 0.85417 0.50000 1.0000 + Ni Ni242 1.0 0.81250 0.89583 0.50000 1.0000 + Ni Ni243 1.0 0.77083 0.93750 0.50000 1.0000 + Ni Ni244 1.0 0.72917 0.97917 0.50000 1.0000 + Ni Ni245 1.0 0.68750 0.02083 0.50000 1.0000 + Ni Ni246 1.0 0.64583 0.06250 0.50000 1.0000 + Ni Ni247 1.0 0.60417 0.10417 0.50000 1.0000 + Ni Ni248 1.0 0.56250 0.14583 0.50000 1.0000 + Ni Ni249 1.0 0.52083 0.18750 0.50000 1.0000 + Ni Ni250 1.0 0.47917 0.22917 0.50000 1.0000 + Ni Ni251 1.0 0.43750 0.27083 0.50000 1.0000 + Ni Ni252 1.0 0.39583 0.31250 0.50000 1.0000 + Ni Ni253 1.0 0.89583 0.89583 0.50000 1.0000 + Ni Ni254 1.0 0.85417 0.93750 0.50000 1.0000 + Ni Ni255 1.0 0.81250 0.97917 0.50000 1.0000 + Ni Ni256 1.0 0.77083 0.02083 0.50000 1.0000 + Ni Ni257 1.0 0.72917 0.06250 0.50000 1.0000 + Ni Ni258 1.0 0.68750 0.10417 0.50000 1.0000 + Ni Ni259 1.0 0.64583 0.14583 0.50000 1.0000 + Ni Ni260 1.0 0.60417 0.18750 0.50000 1.0000 + Ni Ni261 1.0 0.56250 0.22917 0.50000 1.0000 + Ni Ni262 1.0 0.52083 0.27083 0.50000 1.0000 + Ni Ni263 1.0 0.47917 0.31250 0.50000 1.0000 + Ni Ni264 1.0 0.43750 0.35417 0.50000 1.0000 + Ni Ni265 1.0 0.93750 0.93750 0.50000 1.0000 + Ni Ni266 1.0 0.89583 0.97917 0.50000 1.0000 + Ni Ni267 1.0 0.85417 0.02083 0.50000 1.0000 + Ni Ni268 1.0 0.81250 0.06250 0.50000 1.0000 + Ni Ni269 1.0 0.77083 0.10417 0.50000 1.0000 + Ni Ni270 1.0 0.72917 0.14583 0.50000 1.0000 + Ni Ni271 1.0 0.68750 0.18750 0.50000 1.0000 + Ni Ni272 1.0 0.64583 0.22917 0.50000 1.0000 + Ni Ni273 1.0 0.60417 0.27083 0.50000 1.0000 + Ni Ni274 1.0 0.56250 0.31250 0.50000 1.0000 + Ni Ni275 1.0 0.52083 0.35417 0.50000 1.0000 + Ni Ni276 1.0 0.47917 0.39583 0.50000 1.0000 + Ni Ni277 1.0 0.97917 0.97917 0.50000 1.0000 + Ni Ni278 1.0 0.93750 0.02083 0.50000 1.0000 + Ni Ni279 1.0 0.89583 0.06250 0.50000 1.0000 + Ni Ni280 1.0 0.85417 0.10417 0.50000 1.0000 + Ni Ni281 1.0 0.81250 0.14583 0.50000 1.0000 + Ni Ni282 1.0 0.77083 0.18750 0.50000 1.0000 + Ni Ni283 1.0 0.72917 0.22917 0.50000 1.0000 + Ni Ni284 1.0 0.68750 0.27083 0.50000 1.0000 + Ni Ni285 1.0 0.64583 0.31250 0.50000 1.0000 + Ni Ni286 1.0 0.60417 0.35417 0.50000 1.0000 + Ni Ni287 1.0 0.56250 0.39583 0.50000 1.0000 + Ni Ni288 1.0 0.52083 0.43750 0.50000 1.0000 + O O865 1.0 0.47917 0.53523 0.33810 1.0000 + O O866 1.0 0.43750 0.57689 0.33810 1.0000 + O O867 1.0 0.39584 0.61856 0.33810 1.0000 + O O868 1.0 0.35417 0.66023 0.33810 1.0000 + O O869 1.0 0.31250 0.70189 0.33810 1.0000 + O O870 1.0 0.27084 0.74356 0.33810 1.0000 + O O871 1.0 0.22917 0.78523 0.33810 1.0000 + O O872 1.0 0.18750 0.82689 0.33810 1.0000 + O O873 1.0 0.14584 0.86856 0.33810 1.0000 + O O874 1.0 0.10417 0.91023 0.33810 1.0000 + O O875 1.0 0.06250 0.95189 0.33810 1.0000 + O O876 1.0 0.02084 0.99356 0.33810 1.0000 + O O877 1.0 0.52084 0.57689 0.33810 1.0000 + O O878 1.0 0.47917 0.61856 0.33810 1.0000 + O O879 1.0 0.43750 0.66023 0.33810 1.0000 + O O880 1.0 0.39584 0.70189 0.33810 1.0000 + O O881 1.0 0.35417 0.74356 0.33810 1.0000 + O O882 1.0 0.31250 0.78523 0.33810 1.0000 + O O883 1.0 0.27084 0.82689 0.33810 1.0000 + O O884 1.0 0.22917 0.86856 0.33810 1.0000 + O O885 1.0 0.18750 0.91023 0.33810 1.0000 + O O886 1.0 0.14584 0.95189 0.33810 1.0000 + O O887 1.0 0.10417 0.99356 0.33810 1.0000 + O O888 1.0 0.06250 0.03523 0.33810 1.0000 + O O889 1.0 0.56250 0.61856 0.33810 1.0000 + O O890 1.0 0.52084 0.66023 0.33810 1.0000 + O O891 1.0 0.47917 0.70189 0.33810 1.0000 + O O892 1.0 0.43750 0.74356 0.33810 1.0000 + O O893 1.0 0.39584 0.78523 0.33810 1.0000 + O O894 1.0 0.35417 0.82689 0.33810 1.0000 + O O895 1.0 0.31250 0.86856 0.33810 1.0000 + O O896 1.0 0.27084 0.91023 0.33810 1.0000 + O O897 1.0 0.22917 0.95189 0.33810 1.0000 + O O898 1.0 0.18750 0.99356 0.33810 1.0000 + 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O1012 1.0 0.36780 0.67386 0.66190 1.0000 + O O1013 1.0 0.32613 0.71552 0.66190 1.0000 + O O1014 1.0 0.28447 0.75719 0.66190 1.0000 + O O1015 1.0 0.24280 0.79886 0.66190 1.0000 + O O1016 1.0 0.20113 0.84052 0.66190 1.0000 + O O1017 1.0 0.15947 0.88219 0.66190 1.0000 + O O1018 1.0 0.11780 0.92386 0.66190 1.0000 + O O1019 1.0 0.07613 0.96552 0.66190 1.0000 + O O1020 1.0 0.03447 0.00719 0.66190 1.0000 + O O1021 1.0 0.53447 0.59052 0.66190 1.0000 + O O1022 1.0 0.49280 0.63219 0.66190 1.0000 + O O1023 1.0 0.45113 0.67386 0.66190 1.0000 + O O1024 1.0 0.40947 0.71552 0.66190 1.0000 + O O1025 1.0 0.36780 0.75719 0.66190 1.0000 + O O1026 1.0 0.32613 0.79886 0.66190 1.0000 + O O1027 1.0 0.28447 0.84052 0.66190 1.0000 + O O1028 1.0 0.24280 0.88219 0.66190 1.0000 + O O1029 1.0 0.20113 0.92386 0.66190 1.0000 + O O1030 1.0 0.15947 0.96552 0.66190 1.0000 + O O1031 1.0 0.11780 0.00719 0.66190 1.0000 + O O1032 1.0 0.07613 0.04886 0.66190 1.0000 + O O1033 1.0 0.57613 0.63219 0.66190 1.0000 + O O1034 1.0 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1.0000 + O O1101 1.0 0.45113 0.17386 0.66190 1.0000 + O O1102 1.0 0.40947 0.21552 0.66190 1.0000 + O O1103 1.0 0.36780 0.25719 0.66190 1.0000 + O O1104 1.0 0.32613 0.29886 0.66190 1.0000 + O O1105 1.0 0.82613 0.88219 0.66190 1.0000 + O O1106 1.0 0.78447 0.92386 0.66190 1.0000 + O O1107 1.0 0.74280 0.96552 0.66190 1.0000 + O O1108 1.0 0.70113 0.00719 0.66190 1.0000 + O O1109 1.0 0.65947 0.04886 0.66190 1.0000 + O O1110 1.0 0.61780 0.09052 0.66190 1.0000 + O O1111 1.0 0.57613 0.13219 0.66190 1.0000 + O O1112 1.0 0.53447 0.17386 0.66190 1.0000 + O O1113 1.0 0.49280 0.21552 0.66190 1.0000 + O O1114 1.0 0.45113 0.25719 0.66190 1.0000 + O O1115 1.0 0.40947 0.29886 0.66190 1.0000 + O O1116 1.0 0.36780 0.34052 0.66190 1.0000 + O O1117 1.0 0.86780 0.92386 0.66190 1.0000 + O O1118 1.0 0.82613 0.96552 0.66190 1.0000 + O O1119 1.0 0.78447 0.00719 0.66190 1.0000 + O O1120 1.0 0.74280 0.04886 0.66190 1.0000 + O O1121 1.0 0.70113 0.09052 0.66190 1.0000 + O O1122 1.0 0.65947 0.13219 0.66190 1.0000 + O O1123 1.0 0.61780 0.17386 0.66190 1.0000 + O O1124 1.0 0.57613 0.21552 0.66190 1.0000 + O O1125 1.0 0.53447 0.25719 0.66190 1.0000 + O O1126 1.0 0.49280 0.29886 0.66190 1.0000 + O O1127 1.0 0.45113 0.34052 0.66190 1.0000 + O O1128 1.0 0.40947 0.38219 0.66190 1.0000 + O O1129 1.0 0.90947 0.96552 0.66190 1.0000 + O O1130 1.0 0.86780 0.00719 0.66190 1.0000 + O O1131 1.0 0.82613 0.04886 0.66190 1.0000 + O O1132 1.0 0.78447 0.09052 0.66190 1.0000 + O O1133 1.0 0.74280 0.13219 0.66190 1.0000 + O O1134 1.0 0.70113 0.17386 0.66190 1.0000 + O O1135 1.0 0.65947 0.21552 0.66190 1.0000 + O O1136 1.0 0.61780 0.25719 0.66190 1.0000 + O O1137 1.0 0.57613 0.29886 0.66190 1.0000 + O O1138 1.0 0.53447 0.34052 0.66190 1.0000 + O O1139 1.0 0.49280 0.38219 0.66190 1.0000 + O O1140 1.0 0.45113 0.42386 0.66190 1.0000 + O O1141 1.0 0.95113 0.00719 0.66190 1.0000 + O O1142 1.0 0.90947 0.04886 0.66190 1.0000 + O O1143 1.0 0.86780 0.09052 0.66190 1.0000 + O O1144 1.0 0.82613 0.13219 0.66190 1.0000 + O O1145 1.0 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0.21477 0.66190 1.0000 + O O1723 1.0 0.72916 0.25644 0.66190 1.0000 + O O1724 1.0 0.68750 0.29811 0.66190 1.0000 + O O1725 1.0 0.64583 0.33977 0.66190 1.0000 + O O1726 1.0 0.60416 0.38144 0.66190 1.0000 + O O1727 1.0 0.56250 0.42311 0.66190 1.0000 + O O1728 1.0 0.52083 0.46477 0.66190 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-3561_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-3561_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..b55ecc87f8a6219b7ab093fce4e8b1efdf8a1658 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-3561_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural Pb512O512 +_chemical_formula_sum "Pb512 O512" +_cell_length_a 64.0551 +_cell_length_b 64.0551 +_cell_length_c 6.43104 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + 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0.82377 0.50000 1.0000 + O O1397 1.0 0.58248 0.85502 0.50000 1.0000 + O O1398 1.0 0.55123 0.88627 0.50000 1.0000 + O O1399 1.0 0.51998 0.91752 0.50000 1.0000 + O O1400 1.0 0.48873 0.94877 0.50000 1.0000 + O O1401 1.0 0.45748 0.98002 0.50000 1.0000 + O O1402 1.0 0.42623 0.01127 0.50000 1.0000 + O O1403 1.0 0.39498 0.04252 0.50000 1.0000 + O O1404 1.0 0.36373 0.07377 0.50000 1.0000 + O O1405 1.0 0.33248 0.10502 0.50000 1.0000 + O O1406 1.0 0.30123 0.13627 0.50000 1.0000 + O O1407 1.0 0.26998 0.16752 0.50000 1.0000 + O O1408 1.0 0.23873 0.19877 0.50000 1.0000 + O O1409 1.0 0.73873 0.76127 0.50000 1.0000 + O O1410 1.0 0.70748 0.79252 0.50000 1.0000 + O O1411 1.0 0.67623 0.82377 0.50000 1.0000 + O O1412 1.0 0.64498 0.85502 0.50000 1.0000 + O O1413 1.0 0.61373 0.88627 0.50000 1.0000 + O O1414 1.0 0.58248 0.91752 0.50000 1.0000 + O O1415 1.0 0.55123 0.94877 0.50000 1.0000 + O O1416 1.0 0.51998 0.98002 0.50000 1.0000 + O O1417 1.0 0.48873 0.01127 0.50000 1.0000 + O O1418 1.0 0.45748 0.04252 0.50000 1.0000 + O O1419 1.0 0.42623 0.07377 0.50000 1.0000 + O O1420 1.0 0.39498 0.10502 0.50000 1.0000 + O O1421 1.0 0.36373 0.13627 0.50000 1.0000 + O O1422 1.0 0.33248 0.16752 0.50000 1.0000 + O O1423 1.0 0.30123 0.19877 0.50000 1.0000 + O O1424 1.0 0.26998 0.23002 0.50000 1.0000 + O O1425 1.0 0.76998 0.79252 0.50000 1.0000 + O O1426 1.0 0.73873 0.82377 0.50000 1.0000 + O O1427 1.0 0.70748 0.85502 0.50000 1.0000 + O O1428 1.0 0.67623 0.88627 0.50000 1.0000 + O O1429 1.0 0.64498 0.91752 0.50000 1.0000 + O O1430 1.0 0.61373 0.94877 0.50000 1.0000 + O O1431 1.0 0.58248 0.98002 0.50000 1.0000 + O O1432 1.0 0.55123 0.01127 0.50000 1.0000 + O O1433 1.0 0.51998 0.04252 0.50000 1.0000 + O O1434 1.0 0.48873 0.07377 0.50000 1.0000 + O O1435 1.0 0.45748 0.10502 0.50000 1.0000 + O O1436 1.0 0.42623 0.13627 0.50000 1.0000 + O O1437 1.0 0.39498 0.16752 0.50000 1.0000 + O O1438 1.0 0.36373 0.19877 0.50000 1.0000 + O O1439 1.0 0.33248 0.23002 0.50000 1.0000 + O O1440 1.0 0.30123 0.26127 0.50000 1.0000 + O O1441 1.0 0.80123 0.82377 0.50000 1.0000 + O O1442 1.0 0.76998 0.85502 0.50000 1.0000 + O O1443 1.0 0.73873 0.88627 0.50000 1.0000 + O O1444 1.0 0.70748 0.91752 0.50000 1.0000 + O O1445 1.0 0.67623 0.94877 0.50000 1.0000 + O O1446 1.0 0.64498 0.98002 0.50000 1.0000 + O O1447 1.0 0.61373 0.01127 0.50000 1.0000 + O O1448 1.0 0.58248 0.04252 0.50000 1.0000 + O O1449 1.0 0.55123 0.07377 0.50000 1.0000 + O O1450 1.0 0.51998 0.10502 0.50000 1.0000 + O O1451 1.0 0.48873 0.13627 0.50000 1.0000 + O O1452 1.0 0.45748 0.16752 0.50000 1.0000 + O O1453 1.0 0.42623 0.19877 0.50000 1.0000 + O O1454 1.0 0.39498 0.23002 0.50000 1.0000 + O O1455 1.0 0.36373 0.26127 0.50000 1.0000 + O O1456 1.0 0.33248 0.29252 0.50000 1.0000 + O O1457 1.0 0.83248 0.85502 0.50000 1.0000 + O O1458 1.0 0.80123 0.88627 0.50000 1.0000 + O O1459 1.0 0.76998 0.91752 0.50000 1.0000 + O O1460 1.0 0.73873 0.94877 0.50000 1.0000 + O O1461 1.0 0.70748 0.98002 0.50000 1.0000 + O O1462 1.0 0.67623 0.01127 0.50000 1.0000 + O O1463 1.0 0.64498 0.04252 0.50000 1.0000 + O O1464 1.0 0.61373 0.07377 0.50000 1.0000 + O O1465 1.0 0.58248 0.10502 0.50000 1.0000 + O O1466 1.0 0.55123 0.13627 0.50000 1.0000 + O O1467 1.0 0.51998 0.16752 0.50000 1.0000 + O O1468 1.0 0.48873 0.19877 0.50000 1.0000 + O O1469 1.0 0.45748 0.23002 0.50000 1.0000 + O O1470 1.0 0.42623 0.26127 0.50000 1.0000 + O O1471 1.0 0.39498 0.29252 0.50000 1.0000 + O O1472 1.0 0.36373 0.32377 0.50000 1.0000 + O O1473 1.0 0.86373 0.88627 0.50000 1.0000 + O O1474 1.0 0.83248 0.91752 0.50000 1.0000 + O O1475 1.0 0.80123 0.94877 0.50000 1.0000 + O O1476 1.0 0.76998 0.98002 0.50000 1.0000 + O O1477 1.0 0.73873 0.01127 0.50000 1.0000 + O O1478 1.0 0.70748 0.04252 0.50000 1.0000 + O O1479 1.0 0.67623 0.07377 0.50000 1.0000 + O O1480 1.0 0.64498 0.10502 0.50000 1.0000 + O O1481 1.0 0.61373 0.13627 0.50000 1.0000 + O O1482 1.0 0.58248 0.16752 0.50000 1.0000 + O O1483 1.0 0.55123 0.19877 0.50000 1.0000 + O O1484 1.0 0.51998 0.23002 0.50000 1.0000 + O O1485 1.0 0.48873 0.26127 0.50000 1.0000 + O O1486 1.0 0.45748 0.29252 0.50000 1.0000 + O O1487 1.0 0.42623 0.32377 0.50000 1.0000 + O O1488 1.0 0.39498 0.35502 0.50000 1.0000 + O O1489 1.0 0.89498 0.91752 0.50000 1.0000 + O O1490 1.0 0.86373 0.94877 0.50000 1.0000 + O O1491 1.0 0.83248 0.98002 0.50000 1.0000 + O O1492 1.0 0.80123 0.01127 0.50000 1.0000 + O O1493 1.0 0.76998 0.04252 0.50000 1.0000 + O O1494 1.0 0.73873 0.07377 0.50000 1.0000 + O O1495 1.0 0.70748 0.10502 0.50000 1.0000 + O O1496 1.0 0.67623 0.13627 0.50000 1.0000 + O O1497 1.0 0.64498 0.16752 0.50000 1.0000 + O O1498 1.0 0.61373 0.19877 0.50000 1.0000 + O O1499 1.0 0.58248 0.23002 0.50000 1.0000 + O O1500 1.0 0.55123 0.26127 0.50000 1.0000 + O O1501 1.0 0.51998 0.29252 0.50000 1.0000 + O O1502 1.0 0.48873 0.32377 0.50000 1.0000 + O O1503 1.0 0.45748 0.35502 0.50000 1.0000 + O O1504 1.0 0.42623 0.38627 0.50000 1.0000 + O O1505 1.0 0.92623 0.94877 0.50000 1.0000 + O O1506 1.0 0.89498 0.98002 0.50000 1.0000 + O O1507 1.0 0.86373 0.01127 0.50000 1.0000 + O O1508 1.0 0.83248 0.04252 0.50000 1.0000 + O O1509 1.0 0.80123 0.07377 0.50000 1.0000 + O O1510 1.0 0.76998 0.10502 0.50000 1.0000 + O O1511 1.0 0.73873 0.13627 0.50000 1.0000 + O O1512 1.0 0.70748 0.16752 0.50000 1.0000 + O O1513 1.0 0.67623 0.19877 0.50000 1.0000 + O O1514 1.0 0.64498 0.23002 0.50000 1.0000 + O O1515 1.0 0.61373 0.26127 0.50000 1.0000 + O O1516 1.0 0.58248 0.29252 0.50000 1.0000 + O O1517 1.0 0.55123 0.32377 0.50000 1.0000 + O O1518 1.0 0.51998 0.35502 0.50000 1.0000 + O O1519 1.0 0.48873 0.38627 0.50000 1.0000 + O O1520 1.0 0.45748 0.41752 0.50000 1.0000 + O O1521 1.0 0.95748 0.98002 0.50000 1.0000 + O O1522 1.0 0.92623 0.01127 0.50000 1.0000 + O O1523 1.0 0.89498 0.04252 0.50000 1.0000 + O O1524 1.0 0.86373 0.07377 0.50000 1.0000 + O O1525 1.0 0.83248 0.10502 0.50000 1.0000 + O O1526 1.0 0.80123 0.13627 0.50000 1.0000 + O O1527 1.0 0.76998 0.16752 0.50000 1.0000 + O O1528 1.0 0.73873 0.19877 0.50000 1.0000 + O O1529 1.0 0.70748 0.23002 0.50000 1.0000 + O O1530 1.0 0.67623 0.26127 0.50000 1.0000 + O O1531 1.0 0.64498 0.29252 0.50000 1.0000 + O O1532 1.0 0.61373 0.32377 0.50000 1.0000 + O O1533 1.0 0.58248 0.35502 0.50000 1.0000 + O O1534 1.0 0.55123 0.38627 0.50000 1.0000 + O O1535 1.0 0.51998 0.41752 0.50000 1.0000 + O O1536 1.0 0.48873 0.44877 0.50000 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-3891_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-3891_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..1754b2ec6a80c9c89d2e99be52e3d1eb1fc3a498 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-3891_supercell_12x12x1.cif @@ -0,0 +1,2617 @@ +data_image0 +_chemical_formula_structural Mn144Co288O864Mn144Co288O864 +_chemical_formula_sum "Mn288 Co576 O1728" +_cell_length_a 105.719 +_cell_length_b 61.1228 +_cell_length_c 5.95845 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Mn Mn1 1.0 0.00000 0.00000 0.50000 1.0000 + Mn Mn2 1.0 0.95833 0.04167 0.50000 1.0000 + Mn Mn3 1.0 0.91667 0.08333 0.50000 1.0000 + Mn Mn4 1.0 0.87500 0.12500 0.50000 1.0000 + Mn Mn5 1.0 0.83333 0.16667 0.50000 1.0000 + Mn Mn6 1.0 0.79167 0.20833 0.50000 1.0000 + Mn Mn7 1.0 0.75000 0.25000 0.50000 1.0000 + Mn Mn8 1.0 0.70833 0.29167 0.50000 1.0000 + Mn Mn9 1.0 0.66667 0.33333 0.50000 1.0000 + Mn Mn10 1.0 0.62500 0.37500 0.50000 1.0000 + Mn Mn11 1.0 0.58333 0.41667 0.50000 1.0000 + Mn Mn12 1.0 0.04167 0.95833 0.50000 1.0000 + Mn Mn13 1.0 0.04167 0.04167 0.50000 1.0000 + Mn Mn14 1.0 0.00000 0.08333 0.50000 1.0000 + Mn Mn15 1.0 0.95833 0.12500 0.50000 1.0000 + Mn Mn16 1.0 0.91667 0.16667 0.50000 1.0000 + Mn Mn17 1.0 0.87500 0.20833 0.50000 1.0000 + Mn Mn18 1.0 0.83333 0.25000 0.50000 1.0000 + Mn Mn19 1.0 0.79167 0.29167 0.50000 1.0000 + Mn Mn20 1.0 0.75000 0.33333 0.50000 1.0000 + Mn Mn21 1.0 0.70833 0.37500 0.50000 1.0000 + Mn Mn22 1.0 0.66667 0.41667 0.50000 1.0000 + Mn Mn23 1.0 0.62500 0.45833 0.50000 1.0000 + Mn Mn24 1.0 0.58333 0.50000 0.50000 1.0000 + Mn Mn25 1.0 0.08333 0.08333 0.50000 1.0000 + Mn Mn26 1.0 0.04167 0.12500 0.50000 1.0000 + Mn Mn27 1.0 0.00000 0.16667 0.50000 1.0000 + Mn Mn28 1.0 0.95833 0.20833 0.50000 1.0000 + Mn Mn29 1.0 0.91667 0.25000 0.50000 1.0000 + Mn Mn30 1.0 0.87500 0.29167 0.50000 1.0000 + Mn Mn31 1.0 0.83333 0.33333 0.50000 1.0000 + Mn Mn32 1.0 0.79167 0.37500 0.50000 1.0000 + Mn Mn33 1.0 0.75000 0.41667 0.50000 1.0000 + Mn Mn34 1.0 0.70833 0.45833 0.50000 1.0000 + Mn Mn35 1.0 0.66667 0.50000 0.50000 1.0000 + Mn Mn36 1.0 0.62500 0.54167 0.50000 1.0000 + Mn Mn37 1.0 0.12500 0.12500 0.50000 1.0000 + Mn Mn38 1.0 0.08333 0.16667 0.50000 1.0000 + Mn Mn39 1.0 0.04167 0.20833 0.50000 1.0000 + Mn Mn40 1.0 0.00000 0.25000 0.50000 1.0000 + Mn Mn41 1.0 0.95833 0.29167 0.50000 1.0000 + Mn Mn42 1.0 0.91667 0.33333 0.50000 1.0000 + Mn Mn43 1.0 0.87500 0.37500 0.50000 1.0000 + Mn Mn44 1.0 0.83333 0.41667 0.50000 1.0000 + Mn Mn45 1.0 0.79167 0.45833 0.50000 1.0000 + Mn Mn46 1.0 0.75000 0.50000 0.50000 1.0000 + Mn Mn47 1.0 0.70833 0.54167 0.50000 1.0000 + Mn Mn48 1.0 0.66667 0.58333 0.50000 1.0000 + Mn Mn49 1.0 0.16667 0.16667 0.50000 1.0000 + Mn Mn50 1.0 0.12500 0.20833 0.50000 1.0000 + Mn Mn51 1.0 0.08333 0.25000 0.50000 1.0000 + Mn Mn52 1.0 0.04167 0.29167 0.50000 1.0000 + Mn Mn53 1.0 0.00000 0.33333 0.50000 1.0000 + Mn Mn54 1.0 0.95833 0.37500 0.50000 1.0000 + Mn Mn55 1.0 0.91667 0.41667 0.50000 1.0000 + Mn Mn56 1.0 0.87500 0.45833 0.50000 1.0000 + Mn Mn57 1.0 0.83333 0.50000 0.50000 1.0000 + Mn Mn58 1.0 0.79167 0.54167 0.50000 1.0000 + Mn Mn59 1.0 0.75000 0.58333 0.50000 1.0000 + Mn Mn60 1.0 0.70833 0.62500 0.50000 1.0000 + Mn Mn61 1.0 0.20833 0.20833 0.50000 1.0000 + Mn Mn62 1.0 0.16667 0.25000 0.50000 1.0000 + Mn Mn63 1.0 0.12500 0.29167 0.50000 1.0000 + Mn Mn64 1.0 0.08333 0.33333 0.50000 1.0000 + Mn Mn65 1.0 0.04167 0.37500 0.50000 1.0000 + Mn Mn66 1.0 0.00000 0.41667 0.50000 1.0000 + Mn Mn67 1.0 0.95833 0.45833 0.50000 1.0000 + Mn Mn68 1.0 0.91667 0.50000 0.50000 1.0000 + Mn Mn69 1.0 0.87500 0.54167 0.50000 1.0000 + Mn Mn70 1.0 0.83333 0.58333 0.50000 1.0000 + Mn Mn71 1.0 0.79167 0.62500 0.50000 1.0000 + Mn Mn72 1.0 0.75000 0.66667 0.50000 1.0000 + Mn Mn73 1.0 0.25000 0.25000 0.50000 1.0000 + Mn Mn74 1.0 0.20833 0.29167 0.50000 1.0000 + Mn Mn75 1.0 0.16667 0.33333 0.50000 1.0000 + Mn Mn76 1.0 0.12500 0.37500 0.50000 1.0000 + Mn Mn77 1.0 0.08333 0.41667 0.50000 1.0000 + Mn Mn78 1.0 0.04167 0.45833 0.50000 1.0000 + Mn Mn79 1.0 1.00000 0.50000 0.50000 1.0000 + Mn Mn80 1.0 0.95833 0.54167 0.50000 1.0000 + Mn Mn81 1.0 0.91667 0.58333 0.50000 1.0000 + Mn Mn82 1.0 0.87500 0.62500 0.50000 1.0000 + Mn Mn83 1.0 0.83333 0.66667 0.50000 1.0000 + Mn Mn84 1.0 0.79167 0.70833 0.50000 1.0000 + Mn Mn85 1.0 0.29167 0.29167 0.50000 1.0000 + Mn Mn86 1.0 0.25000 0.33333 0.50000 1.0000 + Mn Mn87 1.0 0.20833 0.37500 0.50000 1.0000 + Mn Mn88 1.0 0.16667 0.41667 0.50000 1.0000 + Mn Mn89 1.0 0.12500 0.45833 0.50000 1.0000 + Mn Mn90 1.0 0.08333 0.50000 0.50000 1.0000 + Mn Mn91 1.0 0.04167 0.54167 0.50000 1.0000 + Mn Mn92 1.0 1.00000 0.58333 0.50000 1.0000 + Mn Mn93 1.0 0.95833 0.62500 0.50000 1.0000 + Mn Mn94 1.0 0.91667 0.66667 0.50000 1.0000 + Mn Mn95 1.0 0.87500 0.70833 0.50000 1.0000 + Mn Mn96 1.0 0.83333 0.75000 0.50000 1.0000 + Mn Mn97 1.0 0.33333 0.33333 0.50000 1.0000 + Mn Mn98 1.0 0.29167 0.37500 0.50000 1.0000 + Mn Mn99 1.0 0.25000 0.41667 0.50000 1.0000 + Mn Mn100 1.0 0.20833 0.45833 0.50000 1.0000 + Mn Mn101 1.0 0.16667 0.50000 0.50000 1.0000 + Mn Mn102 1.0 0.12500 0.54167 0.50000 1.0000 + Mn Mn103 1.0 0.08333 0.58333 0.50000 1.0000 + Mn Mn104 1.0 0.04167 0.62500 0.50000 1.0000 + Mn Mn105 1.0 0.00000 0.66667 0.50000 1.0000 + Mn Mn106 1.0 0.95833 0.70833 0.50000 1.0000 + Mn Mn107 1.0 0.91667 0.75000 0.50000 1.0000 + Mn Mn108 1.0 0.87500 0.79167 0.50000 1.0000 + Mn Mn109 1.0 0.37500 0.37500 0.50000 1.0000 + Mn Mn110 1.0 0.33333 0.41667 0.50000 1.0000 + Mn Mn111 1.0 0.29167 0.45833 0.50000 1.0000 + Mn Mn112 1.0 0.25000 0.50000 0.50000 1.0000 + Mn Mn113 1.0 0.20833 0.54167 0.50000 1.0000 + Mn Mn114 1.0 0.16667 0.58333 0.50000 1.0000 + Mn Mn115 1.0 0.12500 0.62500 0.50000 1.0000 + Mn Mn116 1.0 0.08333 0.66667 0.50000 1.0000 + Mn Mn117 1.0 0.04167 0.70833 0.50000 1.0000 + Mn Mn118 1.0 1.00000 0.75000 0.50000 1.0000 + Mn Mn119 1.0 0.95833 0.79167 0.50000 1.0000 + Mn Mn120 1.0 0.91667 0.83333 0.50000 1.0000 + Mn Mn121 1.0 0.41667 0.41667 0.50000 1.0000 + Mn Mn122 1.0 0.37500 0.45833 0.50000 1.0000 + Mn Mn123 1.0 0.33333 0.50000 0.50000 1.0000 + Mn Mn124 1.0 0.29167 0.54167 0.50000 1.0000 + Mn Mn125 1.0 0.25000 0.58333 0.50000 1.0000 + Mn Mn126 1.0 0.20833 0.62500 0.50000 1.0000 + Mn Mn127 1.0 0.16667 0.66667 0.50000 1.0000 + Mn Mn128 1.0 0.12500 0.70833 0.50000 1.0000 + Mn Mn129 1.0 0.08333 0.75000 0.50000 1.0000 + Mn Mn130 1.0 0.04167 0.79167 0.50000 1.0000 + Mn Mn131 1.0 0.00000 0.83333 0.50000 1.0000 + Mn Mn132 1.0 0.95833 0.87500 0.50000 1.0000 + Mn Mn133 1.0 0.45833 0.45833 0.50000 1.0000 + Mn Mn134 1.0 0.41667 0.50000 0.50000 1.0000 + Mn Mn135 1.0 0.37500 0.54167 0.50000 1.0000 + Mn Mn136 1.0 0.33333 0.58333 0.50000 1.0000 + Mn Mn137 1.0 0.29167 0.62500 0.50000 1.0000 + Mn Mn138 1.0 0.25000 0.66667 0.50000 1.0000 + Mn Mn139 1.0 0.20833 0.70833 0.50000 1.0000 + Mn Mn140 1.0 0.16667 0.75000 0.50000 1.0000 + Mn Mn141 1.0 0.12500 0.79167 0.50000 1.0000 + Mn Mn142 1.0 0.08333 0.83333 0.50000 1.0000 + Mn Mn143 1.0 0.04167 0.87500 0.50000 1.0000 + Mn Mn144 1.0 0.00000 0.91667 0.50000 1.0000 + Co Co1 1.0 0.98609 0.04172 0.50000 1.0000 + Co Co2 1.0 0.94443 0.08338 0.50000 1.0000 + Co Co3 1.0 0.90276 0.12505 0.50000 1.0000 + Co Co4 1.0 0.86109 0.16672 0.50000 1.0000 + Co Co5 1.0 0.81943 0.20838 0.50000 1.0000 + Co Co6 1.0 0.77776 0.25005 0.50000 1.0000 + Co Co7 1.0 0.73609 0.29172 0.50000 1.0000 + Co Co8 1.0 0.69443 0.33338 0.50000 1.0000 + Co Co9 1.0 0.65276 0.37505 0.50000 1.0000 + Co Co10 1.0 0.61109 0.41672 0.50000 1.0000 + Co Co11 1.0 0.56943 0.45838 0.50000 1.0000 + Co Co12 1.0 0.52776 0.50005 0.50000 1.0000 + Co Co13 1.0 0.02776 0.08338 0.50000 1.0000 + Co Co14 1.0 0.98609 0.12505 0.50000 1.0000 + Co Co15 1.0 0.94443 0.16672 0.50000 1.0000 + Co Co16 1.0 0.90276 0.20838 0.50000 1.0000 + Co Co17 1.0 0.86109 0.25005 0.50000 1.0000 + Co Co18 1.0 0.81943 0.29172 0.50000 1.0000 + Co Co19 1.0 0.77776 0.33338 0.50000 1.0000 + Co Co20 1.0 0.73609 0.37505 0.50000 1.0000 + Co Co21 1.0 0.69443 0.41672 0.50000 1.0000 + Co Co22 1.0 0.65276 0.45838 0.50000 1.0000 + Co Co23 1.0 0.61109 0.50005 0.50000 1.0000 + Co Co24 1.0 0.56943 0.54172 0.50000 1.0000 + Co Co25 1.0 0.06943 0.12505 0.50000 1.0000 + Co Co26 1.0 0.02776 0.16672 0.50000 1.0000 + Co Co27 1.0 0.98609 0.20838 0.50000 1.0000 + Co Co28 1.0 0.94443 0.25005 0.50000 1.0000 + Co Co29 1.0 0.90276 0.29172 0.50000 1.0000 + Co Co30 1.0 0.86109 0.33338 0.50000 1.0000 + Co Co31 1.0 0.81943 0.37505 0.50000 1.0000 + Co Co32 1.0 0.77776 0.41672 0.50000 1.0000 + Co Co33 1.0 0.73609 0.45838 0.50000 1.0000 + Co Co34 1.0 0.69443 0.50005 0.50000 1.0000 + Co Co35 1.0 0.65276 0.54172 0.50000 1.0000 + Co Co36 1.0 0.61109 0.58338 0.50000 1.0000 + Co Co37 1.0 0.11109 0.16672 0.50000 1.0000 + Co Co38 1.0 0.06943 0.20838 0.50000 1.0000 + Co Co39 1.0 0.02776 0.25005 0.50000 1.0000 + Co Co40 1.0 0.98609 0.29172 0.50000 1.0000 + Co Co41 1.0 0.94443 0.33338 0.50000 1.0000 + Co Co42 1.0 0.90276 0.37505 0.50000 1.0000 + Co Co43 1.0 0.86109 0.41672 0.50000 1.0000 + Co Co44 1.0 0.81943 0.45838 0.50000 1.0000 + Co Co45 1.0 0.77776 0.50005 0.50000 1.0000 + Co Co46 1.0 0.73609 0.54172 0.50000 1.0000 + Co Co47 1.0 0.69443 0.58338 0.50000 1.0000 + Co Co48 1.0 0.65276 0.62505 0.50000 1.0000 + Co Co49 1.0 0.15276 0.20838 0.50000 1.0000 + Co Co50 1.0 0.11109 0.25005 0.50000 1.0000 + Co Co51 1.0 0.06943 0.29172 0.50000 1.0000 + Co Co52 1.0 0.02776 0.33338 0.50000 1.0000 + Co Co53 1.0 0.98609 0.37505 0.50000 1.0000 + Co Co54 1.0 0.94443 0.41672 0.50000 1.0000 + Co Co55 1.0 0.90276 0.45838 0.50000 1.0000 + Co Co56 1.0 0.86109 0.50005 0.50000 1.0000 + Co Co57 1.0 0.81943 0.54172 0.50000 1.0000 + Co Co58 1.0 0.77776 0.58338 0.50000 1.0000 + Co Co59 1.0 0.73609 0.62505 0.50000 1.0000 + Co Co60 1.0 0.69443 0.66672 0.50000 1.0000 + Co Co61 1.0 0.19443 0.25005 0.50000 1.0000 + Co Co62 1.0 0.15276 0.29172 0.50000 1.0000 + Co Co63 1.0 0.11109 0.33338 0.50000 1.0000 + Co Co64 1.0 0.06943 0.37505 0.50000 1.0000 + Co Co65 1.0 0.02776 0.41672 0.50000 1.0000 + Co Co66 1.0 0.98609 0.45838 0.50000 1.0000 + Co Co67 1.0 0.94443 0.50005 0.50000 1.0000 + Co Co68 1.0 0.90276 0.54172 0.50000 1.0000 + Co Co69 1.0 0.86109 0.58338 0.50000 1.0000 + Co Co70 1.0 0.81943 0.62505 0.50000 1.0000 + Co Co71 1.0 0.77776 0.66672 0.50000 1.0000 + Co Co72 1.0 0.73609 0.70838 0.50000 1.0000 + Co Co73 1.0 0.23609 0.29172 0.50000 1.0000 + Co Co74 1.0 0.19443 0.33338 0.50000 1.0000 + Co Co75 1.0 0.15276 0.37505 0.50000 1.0000 + Co Co76 1.0 0.11109 0.41672 0.50000 1.0000 + Co Co77 1.0 0.06943 0.45838 0.50000 1.0000 + Co Co78 1.0 0.02776 0.50005 0.50000 1.0000 + Co Co79 1.0 0.98609 0.54172 0.50000 1.0000 + Co Co80 1.0 0.94443 0.58338 0.50000 1.0000 + Co Co81 1.0 0.90276 0.62505 0.50000 1.0000 + Co Co82 1.0 0.86109 0.66672 0.50000 1.0000 + Co Co83 1.0 0.81943 0.70838 0.50000 1.0000 + Co Co84 1.0 0.77776 0.75005 0.50000 1.0000 + Co Co85 1.0 0.27776 0.33338 0.50000 1.0000 + Co Co86 1.0 0.23609 0.37505 0.50000 1.0000 + Co Co87 1.0 0.19443 0.41672 0.50000 1.0000 + Co Co88 1.0 0.15276 0.45838 0.50000 1.0000 + Co Co89 1.0 0.11109 0.50005 0.50000 1.0000 + Co Co90 1.0 0.06943 0.54172 0.50000 1.0000 + Co Co91 1.0 0.02776 0.58338 0.50000 1.0000 + Co Co92 1.0 0.98609 0.62505 0.50000 1.0000 + Co Co93 1.0 0.94443 0.66672 0.50000 1.0000 + Co Co94 1.0 0.90276 0.70838 0.50000 1.0000 + Co Co95 1.0 0.86109 0.75005 0.50000 1.0000 + Co Co96 1.0 0.81943 0.79172 0.50000 1.0000 + Co Co97 1.0 0.31943 0.37505 0.50000 1.0000 + Co Co98 1.0 0.27776 0.41672 0.50000 1.0000 + Co Co99 1.0 0.23609 0.45838 0.50000 1.0000 + Co Co100 1.0 0.19443 0.50005 0.50000 1.0000 + Co Co101 1.0 0.15276 0.54172 0.50000 1.0000 + Co Co102 1.0 0.11109 0.58338 0.50000 1.0000 + Co Co103 1.0 0.06943 0.62505 0.50000 1.0000 + Co Co104 1.0 0.02776 0.66672 0.50000 1.0000 + Co Co105 1.0 0.98609 0.70838 0.50000 1.0000 + Co Co106 1.0 0.94443 0.75005 0.50000 1.0000 + Co Co107 1.0 0.90276 0.79172 0.50000 1.0000 + Co Co108 1.0 0.86109 0.83338 0.50000 1.0000 + Co Co109 1.0 0.36109 0.41672 0.50000 1.0000 + Co Co110 1.0 0.31943 0.45838 0.50000 1.0000 + Co Co111 1.0 0.27776 0.50005 0.50000 1.0000 + Co Co112 1.0 0.23609 0.54172 0.50000 1.0000 + Co Co113 1.0 0.19443 0.58338 0.50000 1.0000 + Co Co114 1.0 0.15276 0.62505 0.50000 1.0000 + Co Co115 1.0 0.11109 0.66672 0.50000 1.0000 + Co Co116 1.0 0.06943 0.70838 0.50000 1.0000 + Co Co117 1.0 0.02776 0.75005 0.50000 1.0000 + Co Co118 1.0 0.98609 0.79172 0.50000 1.0000 + Co Co119 1.0 0.94443 0.83338 0.50000 1.0000 + Co Co120 1.0 0.90276 0.87505 0.50000 1.0000 + Co Co121 1.0 0.40276 0.45838 0.50000 1.0000 + Co Co122 1.0 0.36109 0.50005 0.50000 1.0000 + Co Co123 1.0 0.31943 0.54172 0.50000 1.0000 + Co Co124 1.0 0.27776 0.58338 0.50000 1.0000 + Co Co125 1.0 0.23609 0.62505 0.50000 1.0000 + Co Co126 1.0 0.19443 0.66672 0.50000 1.0000 + Co Co127 1.0 0.15276 0.70838 0.50000 1.0000 + Co Co128 1.0 0.11109 0.75005 0.50000 1.0000 + Co Co129 1.0 0.06943 0.79172 0.50000 1.0000 + Co Co130 1.0 0.02776 0.83338 0.50000 1.0000 + Co Co131 1.0 0.98609 0.87505 0.50000 1.0000 + Co Co132 1.0 0.94443 0.91672 0.50000 1.0000 + Co Co133 1.0 0.44443 0.50005 0.50000 1.0000 + Co Co134 1.0 0.40276 0.54172 0.50000 1.0000 + Co Co135 1.0 0.36109 0.58338 0.50000 1.0000 + Co Co136 1.0 0.31943 0.62505 0.50000 1.0000 + Co Co137 1.0 0.27776 0.66672 0.50000 1.0000 + Co Co138 1.0 0.23609 0.70838 0.50000 1.0000 + Co Co139 1.0 0.19443 0.75005 0.50000 1.0000 + Co Co140 1.0 0.15276 0.79172 0.50000 1.0000 + Co Co141 1.0 0.11109 0.83338 0.50000 1.0000 + Co Co142 1.0 0.06943 0.87505 0.50000 1.0000 + Co Co143 1.0 0.02776 0.91672 0.50000 1.0000 + Co Co144 1.0 0.98609 0.95838 0.50000 1.0000 + Co Co145 1.0 0.01391 0.04162 0.50000 1.0000 + Co Co146 1.0 0.97224 0.08328 0.50000 1.0000 + Co Co147 1.0 0.93057 0.12495 0.50000 1.0000 + Co Co148 1.0 0.88891 0.16662 0.50000 1.0000 + Co Co149 1.0 0.84724 0.20828 0.50000 1.0000 + Co Co150 1.0 0.80557 0.24995 0.50000 1.0000 + Co Co151 1.0 0.76391 0.29162 0.50000 1.0000 + Co Co152 1.0 0.72224 0.33328 0.50000 1.0000 + Co Co153 1.0 0.68057 0.37495 0.50000 1.0000 + Co Co154 1.0 0.63891 0.41662 0.50000 1.0000 + Co Co155 1.0 0.59724 0.45828 0.50000 1.0000 + Co Co156 1.0 0.55557 0.49995 0.50000 1.0000 + Co Co157 1.0 0.05557 0.08328 0.50000 1.0000 + Co Co158 1.0 0.01391 0.12495 0.50000 1.0000 + Co Co159 1.0 0.97224 0.16662 0.50000 1.0000 + Co Co160 1.0 0.93057 0.20828 0.50000 1.0000 + Co Co161 1.0 0.88891 0.24995 0.50000 1.0000 + Co Co162 1.0 0.84724 0.29162 0.50000 1.0000 + Co Co163 1.0 0.80557 0.33328 0.50000 1.0000 + Co Co164 1.0 0.76391 0.37495 0.50000 1.0000 + Co Co165 1.0 0.72224 0.41662 0.50000 1.0000 + Co Co166 1.0 0.68057 0.45828 0.50000 1.0000 + Co Co167 1.0 0.63891 0.49995 0.50000 1.0000 + Co Co168 1.0 0.59724 0.54162 0.50000 1.0000 + Co Co169 1.0 0.09724 0.12495 0.50000 1.0000 + Co Co170 1.0 0.05557 0.16662 0.50000 1.0000 + Co Co171 1.0 0.01391 0.20828 0.50000 1.0000 + Co Co172 1.0 0.97224 0.24995 0.50000 1.0000 + Co Co173 1.0 0.93057 0.29162 0.50000 1.0000 + Co Co174 1.0 0.88891 0.33328 0.50000 1.0000 + Co Co175 1.0 0.84724 0.37495 0.50000 1.0000 + Co Co176 1.0 0.80557 0.41662 0.50000 1.0000 + Co Co177 1.0 0.76391 0.45828 0.50000 1.0000 + Co Co178 1.0 0.72224 0.49995 0.50000 1.0000 + Co Co179 1.0 0.68057 0.54162 0.50000 1.0000 + Co Co180 1.0 0.63891 0.58328 0.50000 1.0000 + Co Co181 1.0 0.13891 0.16662 0.50000 1.0000 + Co Co182 1.0 0.09724 0.20828 0.50000 1.0000 + Co Co183 1.0 0.05557 0.24995 0.50000 1.0000 + Co Co184 1.0 0.01391 0.29162 0.50000 1.0000 + Co Co185 1.0 0.97224 0.33328 0.50000 1.0000 + Co Co186 1.0 0.93057 0.37495 0.50000 1.0000 + Co Co187 1.0 0.88891 0.41662 0.50000 1.0000 + Co Co188 1.0 0.84724 0.45828 0.50000 1.0000 + Co Co189 1.0 0.80557 0.49995 0.50000 1.0000 + Co Co190 1.0 0.76391 0.54162 0.50000 1.0000 + Co Co191 1.0 0.72224 0.58328 0.50000 1.0000 + Co Co192 1.0 0.68057 0.62495 0.50000 1.0000 + Co Co193 1.0 0.18057 0.20828 0.50000 1.0000 + Co Co194 1.0 0.13891 0.24995 0.50000 1.0000 + Co Co195 1.0 0.09724 0.29162 0.50000 1.0000 + Co Co196 1.0 0.05557 0.33328 0.50000 1.0000 + Co Co197 1.0 0.01391 0.37495 0.50000 1.0000 + Co Co198 1.0 0.97224 0.41662 0.50000 1.0000 + Co Co199 1.0 0.93057 0.45828 0.50000 1.0000 + Co Co200 1.0 0.88891 0.49995 0.50000 1.0000 + Co Co201 1.0 0.84724 0.54162 0.50000 1.0000 + Co Co202 1.0 0.80557 0.58328 0.50000 1.0000 + Co Co203 1.0 0.76391 0.62495 0.50000 1.0000 + Co Co204 1.0 0.72224 0.66662 0.50000 1.0000 + Co Co205 1.0 0.22224 0.24995 0.50000 1.0000 + Co Co206 1.0 0.18057 0.29162 0.50000 1.0000 + Co Co207 1.0 0.13891 0.33328 0.50000 1.0000 + Co Co208 1.0 0.09724 0.37495 0.50000 1.0000 + Co Co209 1.0 0.05557 0.41662 0.50000 1.0000 + Co Co210 1.0 0.01391 0.45828 0.50000 1.0000 + Co Co211 1.0 0.97224 0.49995 0.50000 1.0000 + Co Co212 1.0 0.93057 0.54162 0.50000 1.0000 + Co Co213 1.0 0.88891 0.58328 0.50000 1.0000 + Co Co214 1.0 0.84724 0.62495 0.50000 1.0000 + Co Co215 1.0 0.80557 0.66662 0.50000 1.0000 + Co Co216 1.0 0.76391 0.70828 0.50000 1.0000 + Co Co217 1.0 0.26391 0.29162 0.50000 1.0000 + Co Co218 1.0 0.22224 0.33328 0.50000 1.0000 + Co Co219 1.0 0.18057 0.37495 0.50000 1.0000 + Co Co220 1.0 0.13891 0.41662 0.50000 1.0000 + Co Co221 1.0 0.09724 0.45828 0.50000 1.0000 + Co Co222 1.0 0.05557 0.49995 0.50000 1.0000 + Co Co223 1.0 0.01391 0.54162 0.50000 1.0000 + Co Co224 1.0 0.97224 0.58328 0.50000 1.0000 + Co Co225 1.0 0.93057 0.62495 0.50000 1.0000 + Co Co226 1.0 0.88891 0.66662 0.50000 1.0000 + Co Co227 1.0 0.84724 0.70828 0.50000 1.0000 + Co Co228 1.0 0.80557 0.74995 0.50000 1.0000 + Co Co229 1.0 0.30557 0.33328 0.50000 1.0000 + Co Co230 1.0 0.26391 0.37495 0.50000 1.0000 + Co Co231 1.0 0.22224 0.41662 0.50000 1.0000 + Co Co232 1.0 0.18057 0.45828 0.50000 1.0000 + Co Co233 1.0 0.13891 0.49995 0.50000 1.0000 + Co Co234 1.0 0.09724 0.54162 0.50000 1.0000 + Co Co235 1.0 0.05557 0.58328 0.50000 1.0000 + Co Co236 1.0 0.01391 0.62495 0.50000 1.0000 + Co Co237 1.0 0.97224 0.66662 0.50000 1.0000 + Co Co238 1.0 0.93057 0.70828 0.50000 1.0000 + Co Co239 1.0 0.88891 0.74995 0.50000 1.0000 + Co Co240 1.0 0.84724 0.79162 0.50000 1.0000 + Co Co241 1.0 0.34724 0.37495 0.50000 1.0000 + Co Co242 1.0 0.30557 0.41662 0.50000 1.0000 + Co Co243 1.0 0.26391 0.45828 0.50000 1.0000 + Co Co244 1.0 0.22224 0.49995 0.50000 1.0000 + Co Co245 1.0 0.18057 0.54162 0.50000 1.0000 + Co Co246 1.0 0.13891 0.58328 0.50000 1.0000 + Co Co247 1.0 0.09724 0.62495 0.50000 1.0000 + Co Co248 1.0 0.05557 0.66662 0.50000 1.0000 + Co Co249 1.0 0.01391 0.70828 0.50000 1.0000 + Co Co250 1.0 0.97224 0.74995 0.50000 1.0000 + Co Co251 1.0 0.93057 0.79162 0.50000 1.0000 + Co Co252 1.0 0.88891 0.83328 0.50000 1.0000 + Co Co253 1.0 0.38891 0.41662 0.50000 1.0000 + Co Co254 1.0 0.34724 0.45828 0.50000 1.0000 + Co Co255 1.0 0.30557 0.49995 0.50000 1.0000 + Co Co256 1.0 0.26391 0.54162 0.50000 1.0000 + Co Co257 1.0 0.22224 0.58328 0.50000 1.0000 + Co Co258 1.0 0.18057 0.62495 0.50000 1.0000 + Co Co259 1.0 0.13891 0.66662 0.50000 1.0000 + Co Co260 1.0 0.09724 0.70828 0.50000 1.0000 + Co Co261 1.0 0.05557 0.74995 0.50000 1.0000 + Co Co262 1.0 0.01391 0.79162 0.50000 1.0000 + Co Co263 1.0 0.97224 0.83328 0.50000 1.0000 + Co Co264 1.0 0.93057 0.87495 0.50000 1.0000 + Co Co265 1.0 0.43057 0.45828 0.50000 1.0000 + Co Co266 1.0 0.38891 0.49995 0.50000 1.0000 + Co Co267 1.0 0.34724 0.54162 0.50000 1.0000 + Co Co268 1.0 0.30557 0.58328 0.50000 1.0000 + Co Co269 1.0 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0.36057 0.33633 1.0000 + O O641 1.0 0.04169 0.40224 0.33633 1.0000 + O O642 1.0 0.00002 0.44390 0.33633 1.0000 + O O643 1.0 0.95836 0.48557 0.33633 1.0000 + O O644 1.0 0.91669 0.52724 0.33633 1.0000 + O O645 1.0 0.87502 0.56890 0.33633 1.0000 + O O646 1.0 0.83336 0.61057 0.33633 1.0000 + O O647 1.0 0.79169 0.65224 0.33633 1.0000 + O O648 1.0 0.75002 0.69390 0.33633 1.0000 + O O649 1.0 0.25002 0.27724 0.33633 1.0000 + O O650 1.0 0.20836 0.31890 0.33633 1.0000 + O O651 1.0 0.16669 0.36057 0.33633 1.0000 + O O652 1.0 0.12502 0.40224 0.33633 1.0000 + O O653 1.0 0.08336 0.44390 0.33633 1.0000 + O O654 1.0 0.04169 0.48557 0.33633 1.0000 + O O655 1.0 0.00002 0.52724 0.33633 1.0000 + O O656 1.0 0.95836 0.56890 0.33633 1.0000 + O O657 1.0 0.91669 0.61057 0.33633 1.0000 + O O658 1.0 0.87502 0.65224 0.33633 1.0000 + O O659 1.0 0.83336 0.69390 0.33633 1.0000 + O O660 1.0 0.79169 0.73557 0.33633 1.0000 + O O661 1.0 0.29169 0.31890 0.33633 1.0000 + O O662 1.0 0.25002 0.36057 0.33633 1.0000 + O O663 1.0 0.20836 0.40224 0.33633 1.0000 + O O664 1.0 0.16669 0.44390 0.33633 1.0000 + O O665 1.0 0.12502 0.48557 0.33633 1.0000 + O O666 1.0 0.08336 0.52724 0.33633 1.0000 + O O667 1.0 0.04169 0.56890 0.33633 1.0000 + O O668 1.0 0.00002 0.61057 0.33633 1.0000 + O O669 1.0 0.95836 0.65224 0.33633 1.0000 + O O670 1.0 0.91669 0.69390 0.33633 1.0000 + O O671 1.0 0.87502 0.73557 0.33633 1.0000 + O O672 1.0 0.83336 0.77724 0.33633 1.0000 + O O673 1.0 0.33336 0.36057 0.33633 1.0000 + O O674 1.0 0.29169 0.40224 0.33633 1.0000 + O O675 1.0 0.25002 0.44390 0.33633 1.0000 + O O676 1.0 0.20836 0.48557 0.33633 1.0000 + O O677 1.0 0.16669 0.52724 0.33633 1.0000 + O O678 1.0 0.12502 0.56890 0.33633 1.0000 + O O679 1.0 0.08336 0.61057 0.33633 1.0000 + O O680 1.0 0.04169 0.65224 0.33633 1.0000 + O O681 1.0 0.00002 0.69390 0.33633 1.0000 + O O682 1.0 0.95836 0.73557 0.33633 1.0000 + O O683 1.0 0.91669 0.77724 0.33633 1.0000 + O O684 1.0 0.87502 0.81890 0.33633 1.0000 + O O685 1.0 0.37502 0.40224 0.33633 1.0000 + O O686 1.0 0.33336 0.44390 0.33633 1.0000 + O O687 1.0 0.29169 0.48557 0.33633 1.0000 + O O688 1.0 0.25002 0.52724 0.33633 1.0000 + O O689 1.0 0.20836 0.56890 0.33633 1.0000 + O O690 1.0 0.16669 0.61057 0.33633 1.0000 + O O691 1.0 0.12502 0.65224 0.33633 1.0000 + O O692 1.0 0.08336 0.69390 0.33633 1.0000 + O O693 1.0 0.04169 0.73557 0.33633 1.0000 + O O694 1.0 0.00002 0.77724 0.33633 1.0000 + O O695 1.0 0.95836 0.81890 0.33633 1.0000 + O O696 1.0 0.91669 0.86057 0.33633 1.0000 + O O697 1.0 0.41669 0.44390 0.33633 1.0000 + O O698 1.0 0.37502 0.48557 0.33633 1.0000 + O O699 1.0 0.33336 0.52724 0.33633 1.0000 + O O700 1.0 0.29169 0.56890 0.33633 1.0000 + O O701 1.0 0.25002 0.61057 0.33633 1.0000 + O O702 1.0 0.20836 0.65224 0.33633 1.0000 + O O703 1.0 0.16669 0.69390 0.33633 1.0000 + O O704 1.0 0.12502 0.73557 0.33633 1.0000 + O O705 1.0 0.08336 0.77724 0.33633 1.0000 + O O706 1.0 0.04169 0.81890 0.33633 1.0000 + O O707 1.0 0.00002 0.86057 0.33633 1.0000 + O O708 1.0 0.95836 0.90224 0.33633 1.0000 + O O709 1.0 0.45836 0.48557 0.33633 1.0000 + O O710 1.0 0.41669 0.52724 0.33633 1.0000 + O O711 1.0 0.37502 0.56890 0.33633 1.0000 + O O712 1.0 0.33336 0.61057 0.33633 1.0000 + O O713 1.0 0.29169 0.65224 0.33633 1.0000 + O O714 1.0 0.25002 0.69390 0.33633 1.0000 + O O715 1.0 0.20836 0.73557 0.33633 1.0000 + O O716 1.0 0.16669 0.77724 0.33633 1.0000 + O O717 1.0 0.12502 0.81890 0.33633 1.0000 + O O718 1.0 0.08336 0.86057 0.33633 1.0000 + O O719 1.0 0.04169 0.90224 0.33633 1.0000 + O O720 1.0 0.00002 0.94390 0.33633 1.0000 + O O721 1.0 0.02804 0.05525 0.66367 1.0000 + O O722 1.0 0.98637 0.09692 0.66367 1.0000 + O O723 1.0 0.94470 0.13858 0.66367 1.0000 + O O724 1.0 0.90304 0.18025 0.66367 1.0000 + O O725 1.0 0.86137 0.22192 0.66367 1.0000 + O O726 1.0 0.81970 0.26358 0.66367 1.0000 + O O727 1.0 0.77804 0.30525 0.66367 1.0000 + O O728 1.0 0.73637 0.34692 0.66367 1.0000 + O O729 1.0 0.69470 0.38858 0.66367 1.0000 + O O730 1.0 0.65304 0.43025 0.66367 1.0000 + O O731 1.0 0.61137 0.47192 0.66367 1.0000 + O O732 1.0 0.56970 0.51358 0.66367 1.0000 + O O733 1.0 0.06970 0.09692 0.66367 1.0000 + O O734 1.0 0.02804 0.13858 0.66367 1.0000 + O O735 1.0 0.98637 0.18025 0.66367 1.0000 + O O736 1.0 0.94470 0.22192 0.66367 1.0000 + O O737 1.0 0.90304 0.26358 0.66367 1.0000 + O O738 1.0 0.86137 0.30525 0.66367 1.0000 + O O739 1.0 0.81970 0.34692 0.66367 1.0000 + O O740 1.0 0.77804 0.38858 0.66367 1.0000 + O O741 1.0 0.73637 0.43025 0.66367 1.0000 + O O742 1.0 0.69470 0.47192 0.66367 1.0000 + O O743 1.0 0.65304 0.51358 0.66367 1.0000 + O O744 1.0 0.61137 0.55525 0.66367 1.0000 + O O745 1.0 0.11137 0.13858 0.66367 1.0000 + O O746 1.0 0.06970 0.18025 0.66367 1.0000 + O O747 1.0 0.02804 0.22192 0.66367 1.0000 + O O748 1.0 0.98637 0.26358 0.66367 1.0000 + O O749 1.0 0.94470 0.30525 0.66367 1.0000 + O O750 1.0 0.90304 0.34692 0.66367 1.0000 + O O751 1.0 0.86137 0.38858 0.66367 1.0000 + O O752 1.0 0.81970 0.43025 0.66367 1.0000 + O O753 1.0 0.77804 0.47192 0.66367 1.0000 + O O754 1.0 0.73637 0.51358 0.66367 1.0000 + O O755 1.0 0.69470 0.55525 0.66367 1.0000 + O O756 1.0 0.65304 0.59692 0.66367 1.0000 + O O757 1.0 0.15304 0.18025 0.66367 1.0000 + O O758 1.0 0.11137 0.22192 0.66367 1.0000 + O O759 1.0 0.06970 0.26358 0.66367 1.0000 + O O760 1.0 0.02804 0.30525 0.66367 1.0000 + O O761 1.0 0.98637 0.34692 0.66367 1.0000 + O O762 1.0 0.94470 0.38858 0.66367 1.0000 + O O763 1.0 0.90304 0.43025 0.66367 1.0000 + O O764 1.0 0.86137 0.47192 0.66367 1.0000 + O O765 1.0 0.81970 0.51358 0.66367 1.0000 + O O766 1.0 0.77804 0.55525 0.66367 1.0000 + O O767 1.0 0.73637 0.59692 0.66367 1.0000 + O O768 1.0 0.69470 0.63858 0.66367 1.0000 + O O769 1.0 0.19470 0.22192 0.66367 1.0000 + O O770 1.0 0.15304 0.26358 0.66367 1.0000 + O O771 1.0 0.11137 0.30525 0.66367 1.0000 + O O772 1.0 0.06970 0.34692 0.66367 1.0000 + O O773 1.0 0.02804 0.38858 0.66367 1.0000 + O O774 1.0 0.98637 0.43025 0.66367 1.0000 + O O775 1.0 0.94470 0.47192 0.66367 1.0000 + O O776 1.0 0.90304 0.51358 0.66367 1.0000 + O O777 1.0 0.86137 0.55525 0.66367 1.0000 + O O778 1.0 0.81970 0.59692 0.66367 1.0000 + O O779 1.0 0.77804 0.63858 0.66367 1.0000 + O O780 1.0 0.73637 0.68025 0.66367 1.0000 + O O781 1.0 0.23637 0.26358 0.66367 1.0000 + O O782 1.0 0.19470 0.30525 0.66367 1.0000 + O O783 1.0 0.15304 0.34692 0.66367 1.0000 + O O784 1.0 0.11137 0.38858 0.66367 1.0000 + O O785 1.0 0.06970 0.43025 0.66367 1.0000 + O O786 1.0 0.02804 0.47192 0.66367 1.0000 + O O787 1.0 0.98637 0.51358 0.66367 1.0000 + O O788 1.0 0.94470 0.55525 0.66367 1.0000 + O O789 1.0 0.90304 0.59692 0.66367 1.0000 + O O790 1.0 0.86137 0.63858 0.66367 1.0000 + O O791 1.0 0.81970 0.68025 0.66367 1.0000 + O O792 1.0 0.77804 0.72192 0.66367 1.0000 + O O793 1.0 0.27804 0.30525 0.66367 1.0000 + O O794 1.0 0.23637 0.34692 0.66367 1.0000 + O O795 1.0 0.19470 0.38858 0.66367 1.0000 + O O796 1.0 0.15304 0.43025 0.66367 1.0000 + O O797 1.0 0.11137 0.47192 0.66367 1.0000 + O O798 1.0 0.06970 0.51358 0.66367 1.0000 + O O799 1.0 0.02804 0.55525 0.66367 1.0000 + O O800 1.0 0.98637 0.59692 0.66367 1.0000 + O O801 1.0 0.94470 0.63858 0.66367 1.0000 + O O802 1.0 0.90304 0.68025 0.66367 1.0000 + O O803 1.0 0.86137 0.72192 0.66367 1.0000 + O O804 1.0 0.81970 0.76358 0.66367 1.0000 + O O805 1.0 0.31970 0.34692 0.66367 1.0000 + O O806 1.0 0.27804 0.38858 0.66367 1.0000 + O O807 1.0 0.23637 0.43025 0.66367 1.0000 + O O808 1.0 0.19470 0.47192 0.66367 1.0000 + O O809 1.0 0.15304 0.51358 0.66367 1.0000 + O O810 1.0 0.11137 0.55525 0.66367 1.0000 + O O811 1.0 0.06970 0.59692 0.66367 1.0000 + O O812 1.0 0.02804 0.63858 0.66367 1.0000 + O O813 1.0 0.98637 0.68025 0.66367 1.0000 + O O814 1.0 0.94470 0.72192 0.66367 1.0000 + O O815 1.0 0.90304 0.76358 0.66367 1.0000 + O O816 1.0 0.86137 0.80525 0.66367 1.0000 + O O817 1.0 0.36137 0.38858 0.66367 1.0000 + O O818 1.0 0.31970 0.43025 0.66367 1.0000 + O O819 1.0 0.27804 0.47192 0.66367 1.0000 + O O820 1.0 0.23637 0.51358 0.66367 1.0000 + O O821 1.0 0.19470 0.55525 0.66367 1.0000 + O O822 1.0 0.15304 0.59692 0.66367 1.0000 + O O823 1.0 0.11137 0.63858 0.66367 1.0000 + O O824 1.0 0.06970 0.68025 0.66367 1.0000 + O O825 1.0 0.02804 0.72192 0.66367 1.0000 + O O826 1.0 0.98637 0.76358 0.66367 1.0000 + O O827 1.0 0.94470 0.80525 0.66367 1.0000 + O O828 1.0 0.90304 0.84692 0.66367 1.0000 + O O829 1.0 0.40304 0.43025 0.66367 1.0000 + O O830 1.0 0.36137 0.47192 0.66367 1.0000 + O O831 1.0 0.31970 0.51358 0.66367 1.0000 + O O832 1.0 0.27804 0.55525 0.66367 1.0000 + O O833 1.0 0.23637 0.59692 0.66367 1.0000 + O O834 1.0 0.19470 0.63858 0.66367 1.0000 + O O835 1.0 0.15304 0.68025 0.66367 1.0000 + O O836 1.0 0.11137 0.72192 0.66367 1.0000 + O O837 1.0 0.06970 0.76358 0.66367 1.0000 + O O838 1.0 0.02804 0.80525 0.66367 1.0000 + O O839 1.0 0.98637 0.84692 0.66367 1.0000 + O O840 1.0 0.94470 0.88858 0.66367 1.0000 + O O841 1.0 0.44470 0.47192 0.66367 1.0000 + O O842 1.0 0.40304 0.51358 0.66367 1.0000 + O O843 1.0 0.36137 0.55525 0.66367 1.0000 + O O844 1.0 0.31970 0.59692 0.66367 1.0000 + O O845 1.0 0.27804 0.63858 0.66367 1.0000 + O O846 1.0 0.23637 0.68025 0.66367 1.0000 + O O847 1.0 0.19470 0.72192 0.66367 1.0000 + O O848 1.0 0.15304 0.76358 0.66367 1.0000 + O O849 1.0 0.11137 0.80525 0.66367 1.0000 + O O850 1.0 0.06970 0.84692 0.66367 1.0000 + O O851 1.0 0.02804 0.88858 0.66367 1.0000 + O O852 1.0 0.98637 0.93025 0.66367 1.0000 + O O853 1.0 0.48637 0.51358 0.66367 1.0000 + O O854 1.0 0.44470 0.55525 0.66367 1.0000 + O O855 1.0 0.40304 0.59692 0.66367 1.0000 + O O856 1.0 0.36137 0.63858 0.66367 1.0000 + O O857 1.0 0.31970 0.68025 0.66367 1.0000 + O O858 1.0 0.27804 0.72192 0.66367 1.0000 + O O859 1.0 0.23637 0.76358 0.66367 1.0000 + O O860 1.0 0.19470 0.80525 0.66367 1.0000 + O O861 1.0 0.15304 0.84692 0.66367 1.0000 + O O862 1.0 0.11137 0.88858 0.66367 1.0000 + O O863 1.0 0.06970 0.93025 0.66367 1.0000 + O O864 1.0 0.02804 0.97192 0.66367 1.0000 + Mn Mn145 1.0 0.50000 0.50000 0.50000 1.0000 + Mn Mn146 1.0 0.45833 0.54167 0.50000 1.0000 + Mn Mn147 1.0 0.41667 0.58333 0.50000 1.0000 + Mn Mn148 1.0 0.37500 0.62500 0.50000 1.0000 + Mn Mn149 1.0 0.33333 0.66667 0.50000 1.0000 + Mn Mn150 1.0 0.29167 0.70833 0.50000 1.0000 + Mn Mn151 1.0 0.25000 0.75000 0.50000 1.0000 + Mn Mn152 1.0 0.20833 0.79167 0.50000 1.0000 + Mn Mn153 1.0 0.16667 0.83333 0.50000 1.0000 + Mn Mn154 1.0 0.12500 0.87500 0.50000 1.0000 + Mn Mn155 1.0 0.08333 0.91667 0.50000 1.0000 + Mn Mn156 1.0 0.54167 0.45833 0.50000 1.0000 + Mn Mn157 1.0 0.54167 0.54167 0.50000 1.0000 + Mn Mn158 1.0 0.50000 0.58333 0.50000 1.0000 + Mn Mn159 1.0 0.45833 0.62500 0.50000 1.0000 + Mn Mn160 1.0 0.41667 0.66667 0.50000 1.0000 + Mn Mn161 1.0 0.37500 0.70833 0.50000 1.0000 + Mn Mn162 1.0 0.33333 0.75000 0.50000 1.0000 + Mn Mn163 1.0 0.29167 0.79167 0.50000 1.0000 + Mn Mn164 1.0 0.25000 0.83333 0.50000 1.0000 + Mn Mn165 1.0 0.20833 0.87500 0.50000 1.0000 + Mn Mn166 1.0 0.16667 0.91667 0.50000 1.0000 + Mn Mn167 1.0 0.12500 0.95833 0.50000 1.0000 + Mn Mn168 1.0 0.08333 0.00000 0.50000 1.0000 + Mn Mn169 1.0 0.58333 0.58333 0.50000 1.0000 + Mn Mn170 1.0 0.54167 0.62500 0.50000 1.0000 + Mn Mn171 1.0 0.50000 0.66667 0.50000 1.0000 + Mn Mn172 1.0 0.45833 0.70833 0.50000 1.0000 + Mn Mn173 1.0 0.41667 0.75000 0.50000 1.0000 + Mn Mn174 1.0 0.37500 0.79167 0.50000 1.0000 + Mn Mn175 1.0 0.33333 0.83333 0.50000 1.0000 + Mn Mn176 1.0 0.29167 0.87500 0.50000 1.0000 + Mn Mn177 1.0 0.25000 0.91667 0.50000 1.0000 + Mn Mn178 1.0 0.20833 0.95833 0.50000 1.0000 + Mn Mn179 1.0 0.16667 0.00000 0.50000 1.0000 + Mn Mn180 1.0 0.12500 0.04167 0.50000 1.0000 + Mn Mn181 1.0 0.62500 0.62500 0.50000 1.0000 + Mn Mn182 1.0 0.58333 0.66667 0.50000 1.0000 + Mn Mn183 1.0 0.54167 0.70833 0.50000 1.0000 + Mn Mn184 1.0 0.50000 0.75000 0.50000 1.0000 + Mn Mn185 1.0 0.45833 0.79167 0.50000 1.0000 + Mn Mn186 1.0 0.41667 0.83333 0.50000 1.0000 + Mn Mn187 1.0 0.37500 0.87500 0.50000 1.0000 + Mn Mn188 1.0 0.33333 0.91667 0.50000 1.0000 + Mn Mn189 1.0 0.29167 0.95833 0.50000 1.0000 + Mn Mn190 1.0 0.25000 0.00000 0.50000 1.0000 + Mn Mn191 1.0 0.20833 0.04167 0.50000 1.0000 + Mn Mn192 1.0 0.16667 0.08333 0.50000 1.0000 + Mn Mn193 1.0 0.66667 0.66667 0.50000 1.0000 + Mn Mn194 1.0 0.62500 0.70833 0.50000 1.0000 + Mn Mn195 1.0 0.58333 0.75000 0.50000 1.0000 + Mn Mn196 1.0 0.54167 0.79167 0.50000 1.0000 + Mn Mn197 1.0 0.50000 0.83333 0.50000 1.0000 + Mn Mn198 1.0 0.45833 0.87500 0.50000 1.0000 + Mn Mn199 1.0 0.41667 0.91667 0.50000 1.0000 + Mn Mn200 1.0 0.37500 0.95833 0.50000 1.0000 + Mn Mn201 1.0 0.33333 0.00000 0.50000 1.0000 + Mn Mn202 1.0 0.29167 0.04167 0.50000 1.0000 + Mn Mn203 1.0 0.25000 0.08333 0.50000 1.0000 + Mn Mn204 1.0 0.20833 0.12500 0.50000 1.0000 + Mn Mn205 1.0 0.70833 0.70833 0.50000 1.0000 + Mn Mn206 1.0 0.66667 0.75000 0.50000 1.0000 + Mn Mn207 1.0 0.62500 0.79167 0.50000 1.0000 + Mn Mn208 1.0 0.58333 0.83333 0.50000 1.0000 + Mn Mn209 1.0 0.54167 0.87500 0.50000 1.0000 + Mn Mn210 1.0 0.50000 0.91667 0.50000 1.0000 + Mn Mn211 1.0 0.45833 0.95833 0.50000 1.0000 + Mn Mn212 1.0 0.41667 0.00000 0.50000 1.0000 + Mn Mn213 1.0 0.37500 0.04167 0.50000 1.0000 + Mn Mn214 1.0 0.33333 0.08333 0.50000 1.0000 + Mn Mn215 1.0 0.29167 0.12500 0.50000 1.0000 + Mn Mn216 1.0 0.25000 0.16667 0.50000 1.0000 + Mn Mn217 1.0 0.75000 0.75000 0.50000 1.0000 + Mn Mn218 1.0 0.70833 0.79167 0.50000 1.0000 + Mn Mn219 1.0 0.66667 0.83333 0.50000 1.0000 + Mn Mn220 1.0 0.62500 0.87500 0.50000 1.0000 + Mn Mn221 1.0 0.58333 0.91667 0.50000 1.0000 + Mn Mn222 1.0 0.54167 0.95833 0.50000 1.0000 + Mn Mn223 1.0 0.50000 0.00000 0.50000 1.0000 + Mn Mn224 1.0 0.45833 0.04167 0.50000 1.0000 + Mn Mn225 1.0 0.41667 0.08333 0.50000 1.0000 + Mn Mn226 1.0 0.37500 0.12500 0.50000 1.0000 + Mn Mn227 1.0 0.33333 0.16667 0.50000 1.0000 + Mn Mn228 1.0 0.29167 0.20833 0.50000 1.0000 + Mn Mn229 1.0 0.79167 0.79167 0.50000 1.0000 + Mn Mn230 1.0 0.75000 0.83333 0.50000 1.0000 + Mn Mn231 1.0 0.70833 0.87500 0.50000 1.0000 + Mn Mn232 1.0 0.66667 0.91667 0.50000 1.0000 + Mn Mn233 1.0 0.62500 0.95833 0.50000 1.0000 + Mn Mn234 1.0 0.58333 0.00000 0.50000 1.0000 + Mn Mn235 1.0 0.54167 0.04167 0.50000 1.0000 + Mn Mn236 1.0 0.50000 0.08333 0.50000 1.0000 + Mn Mn237 1.0 0.45833 0.12500 0.50000 1.0000 + Mn Mn238 1.0 0.41667 0.16667 0.50000 1.0000 + Mn Mn239 1.0 0.37500 0.20833 0.50000 1.0000 + Mn Mn240 1.0 0.33333 0.25000 0.50000 1.0000 + Mn Mn241 1.0 0.83333 0.83333 0.50000 1.0000 + Mn Mn242 1.0 0.79167 0.87500 0.50000 1.0000 + Mn Mn243 1.0 0.75000 0.91667 0.50000 1.0000 + Mn Mn244 1.0 0.70833 0.95833 0.50000 1.0000 + Mn Mn245 1.0 0.66667 0.00000 0.50000 1.0000 + Mn Mn246 1.0 0.62500 0.04167 0.50000 1.0000 + Mn Mn247 1.0 0.58333 0.08333 0.50000 1.0000 + Mn Mn248 1.0 0.54167 0.12500 0.50000 1.0000 + Mn Mn249 1.0 0.50000 0.16667 0.50000 1.0000 + Mn Mn250 1.0 0.45833 0.20833 0.50000 1.0000 + Mn Mn251 1.0 0.41667 0.25000 0.50000 1.0000 + Mn Mn252 1.0 0.37500 0.29167 0.50000 1.0000 + Mn Mn253 1.0 0.87500 0.87500 0.50000 1.0000 + Mn Mn254 1.0 0.83333 0.91667 0.50000 1.0000 + Mn Mn255 1.0 0.79167 0.95833 0.50000 1.0000 + Mn Mn256 1.0 0.75000 0.00000 0.50000 1.0000 + Mn Mn257 1.0 0.70833 0.04167 0.50000 1.0000 + Mn Mn258 1.0 0.66667 0.08333 0.50000 1.0000 + Mn Mn259 1.0 0.62500 0.12500 0.50000 1.0000 + Mn Mn260 1.0 0.58333 0.16667 0.50000 1.0000 + Mn Mn261 1.0 0.54167 0.20833 0.50000 1.0000 + Mn Mn262 1.0 0.50000 0.25000 0.50000 1.0000 + Mn Mn263 1.0 0.45833 0.29167 0.50000 1.0000 + Mn Mn264 1.0 0.41667 0.33333 0.50000 1.0000 + Mn Mn265 1.0 0.91667 0.91667 0.50000 1.0000 + Mn Mn266 1.0 0.87500 0.95833 0.50000 1.0000 + Mn Mn267 1.0 0.83333 0.00000 0.50000 1.0000 + Mn Mn268 1.0 0.79167 0.04167 0.50000 1.0000 + Mn Mn269 1.0 0.75000 0.08333 0.50000 1.0000 + Mn Mn270 1.0 0.70833 0.12500 0.50000 1.0000 + Mn Mn271 1.0 0.66667 0.16667 0.50000 1.0000 + Mn Mn272 1.0 0.62500 0.20833 0.50000 1.0000 + Mn Mn273 1.0 0.58333 0.25000 0.50000 1.0000 + Mn Mn274 1.0 0.54167 0.29167 0.50000 1.0000 + Mn Mn275 1.0 0.50000 0.33333 0.50000 1.0000 + Mn Mn276 1.0 0.45833 0.37500 0.50000 1.0000 + Mn Mn277 1.0 0.95833 0.95833 0.50000 1.0000 + Mn Mn278 1.0 0.91667 0.00000 0.50000 1.0000 + Mn Mn279 1.0 0.87500 0.04167 0.50000 1.0000 + Mn Mn280 1.0 0.83333 0.08333 0.50000 1.0000 + Mn Mn281 1.0 0.79167 0.12500 0.50000 1.0000 + Mn Mn282 1.0 0.75000 0.16667 0.50000 1.0000 + Mn Mn283 1.0 0.70833 0.20833 0.50000 1.0000 + Mn Mn284 1.0 0.66667 0.25000 0.50000 1.0000 + Mn Mn285 1.0 0.62500 0.29167 0.50000 1.0000 + Mn Mn286 1.0 0.58333 0.33333 0.50000 1.0000 + Mn Mn287 1.0 0.54167 0.37500 0.50000 1.0000 + Mn Mn288 1.0 0.50000 0.41667 0.50000 1.0000 + Co Co289 1.0 0.48609 0.54172 0.50000 1.0000 + Co Co290 1.0 0.44443 0.58338 0.50000 1.0000 + Co Co291 1.0 0.40276 0.62505 0.50000 1.0000 + Co Co292 1.0 0.36109 0.66672 0.50000 1.0000 + Co Co293 1.0 0.31943 0.70838 0.50000 1.0000 + Co Co294 1.0 0.27776 0.75005 0.50000 1.0000 + Co Co295 1.0 0.23609 0.79172 0.50000 1.0000 + Co Co296 1.0 0.19443 0.83338 0.50000 1.0000 + Co Co297 1.0 0.15276 0.87505 0.50000 1.0000 + Co Co298 1.0 0.11109 0.91672 0.50000 1.0000 + Co Co299 1.0 0.06943 0.95838 0.50000 1.0000 + Co Co300 1.0 0.02776 0.00005 0.50000 1.0000 + Co Co301 1.0 0.52776 0.58338 0.50000 1.0000 + Co Co302 1.0 0.48609 0.62505 0.50000 1.0000 + Co Co303 1.0 0.44443 0.66672 0.50000 1.0000 + Co Co304 1.0 0.40276 0.70838 0.50000 1.0000 + Co Co305 1.0 0.36109 0.75005 0.50000 1.0000 + Co Co306 1.0 0.31943 0.79172 0.50000 1.0000 + Co Co307 1.0 0.27776 0.83338 0.50000 1.0000 + Co Co308 1.0 0.23609 0.87505 0.50000 1.0000 + Co Co309 1.0 0.19443 0.91672 0.50000 1.0000 + Co Co310 1.0 0.15276 0.95838 0.50000 1.0000 + Co Co311 1.0 0.11109 0.00005 0.50000 1.0000 + Co Co312 1.0 0.06943 0.04172 0.50000 1.0000 + Co Co313 1.0 0.56943 0.62505 0.50000 1.0000 + Co Co314 1.0 0.52776 0.66672 0.50000 1.0000 + Co Co315 1.0 0.48609 0.70838 0.50000 1.0000 + Co Co316 1.0 0.44443 0.75005 0.50000 1.0000 + Co Co317 1.0 0.40276 0.79172 0.50000 1.0000 + Co Co318 1.0 0.36109 0.83338 0.50000 1.0000 + Co Co319 1.0 0.31943 0.87505 0.50000 1.0000 + Co Co320 1.0 0.27776 0.91672 0.50000 1.0000 + Co Co321 1.0 0.23609 0.95838 0.50000 1.0000 + Co Co322 1.0 0.19443 0.00005 0.50000 1.0000 + Co Co323 1.0 0.15276 0.04172 0.50000 1.0000 + Co Co324 1.0 0.11109 0.08338 0.50000 1.0000 + Co Co325 1.0 0.61109 0.66672 0.50000 1.0000 + Co Co326 1.0 0.56943 0.70838 0.50000 1.0000 + Co Co327 1.0 0.52776 0.75005 0.50000 1.0000 + Co Co328 1.0 0.48609 0.79172 0.50000 1.0000 + Co Co329 1.0 0.44443 0.83338 0.50000 1.0000 + Co Co330 1.0 0.40276 0.87505 0.50000 1.0000 + Co Co331 1.0 0.36109 0.91672 0.50000 1.0000 + Co Co332 1.0 0.31943 0.95838 0.50000 1.0000 + Co Co333 1.0 0.27776 0.00005 0.50000 1.0000 + Co Co334 1.0 0.23609 0.04172 0.50000 1.0000 + Co Co335 1.0 0.19443 0.08338 0.50000 1.0000 + Co Co336 1.0 0.15276 0.12505 0.50000 1.0000 + Co Co337 1.0 0.65276 0.70838 0.50000 1.0000 + Co Co338 1.0 0.61109 0.75005 0.50000 1.0000 + Co Co339 1.0 0.56943 0.79172 0.50000 1.0000 + Co Co340 1.0 0.52776 0.83338 0.50000 1.0000 + Co Co341 1.0 0.48609 0.87505 0.50000 1.0000 + Co Co342 1.0 0.44443 0.91672 0.50000 1.0000 + Co Co343 1.0 0.40276 0.95838 0.50000 1.0000 + Co Co344 1.0 0.36109 0.00005 0.50000 1.0000 + Co Co345 1.0 0.31943 0.04172 0.50000 1.0000 + Co Co346 1.0 0.27776 0.08338 0.50000 1.0000 + Co Co347 1.0 0.23609 0.12505 0.50000 1.0000 + Co Co348 1.0 0.19443 0.16672 0.50000 1.0000 + Co Co349 1.0 0.69443 0.75005 0.50000 1.0000 + Co Co350 1.0 0.65276 0.79172 0.50000 1.0000 + Co Co351 1.0 0.61109 0.83338 0.50000 1.0000 + Co Co352 1.0 0.56943 0.87505 0.50000 1.0000 + Co Co353 1.0 0.52776 0.91672 0.50000 1.0000 + Co Co354 1.0 0.48609 0.95838 0.50000 1.0000 + Co Co355 1.0 0.44443 0.00005 0.50000 1.0000 + Co Co356 1.0 0.40276 0.04172 0.50000 1.0000 + Co Co357 1.0 0.36109 0.08338 0.50000 1.0000 + Co Co358 1.0 0.31943 0.12505 0.50000 1.0000 + Co Co359 1.0 0.27776 0.16672 0.50000 1.0000 + Co Co360 1.0 0.23609 0.20838 0.50000 1.0000 + Co Co361 1.0 0.73609 0.79172 0.50000 1.0000 + Co Co362 1.0 0.69443 0.83338 0.50000 1.0000 + Co Co363 1.0 0.65276 0.87505 0.50000 1.0000 + Co Co364 1.0 0.61109 0.91672 0.50000 1.0000 + Co Co365 1.0 0.56943 0.95838 0.50000 1.0000 + Co Co366 1.0 0.52776 0.00005 0.50000 1.0000 + Co Co367 1.0 0.48609 0.04172 0.50000 1.0000 + Co Co368 1.0 0.44443 0.08338 0.50000 1.0000 + Co Co369 1.0 0.40276 0.12505 0.50000 1.0000 + Co Co370 1.0 0.36109 0.16672 0.50000 1.0000 + Co Co371 1.0 0.31943 0.20838 0.50000 1.0000 + Co Co372 1.0 0.27776 0.25005 0.50000 1.0000 + Co Co373 1.0 0.77776 0.83338 0.50000 1.0000 + Co Co374 1.0 0.73609 0.87505 0.50000 1.0000 + Co Co375 1.0 0.69443 0.91672 0.50000 1.0000 + Co Co376 1.0 0.65276 0.95838 0.50000 1.0000 + Co Co377 1.0 0.61109 0.00005 0.50000 1.0000 + Co Co378 1.0 0.56943 0.04172 0.50000 1.0000 + Co Co379 1.0 0.52776 0.08338 0.50000 1.0000 + Co Co380 1.0 0.48609 0.12505 0.50000 1.0000 + Co Co381 1.0 0.44443 0.16672 0.50000 1.0000 + Co Co382 1.0 0.40276 0.20838 0.50000 1.0000 + Co Co383 1.0 0.36109 0.25005 0.50000 1.0000 + Co Co384 1.0 0.31943 0.29172 0.50000 1.0000 + Co Co385 1.0 0.81943 0.87505 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Co Co494 1.0 0.68057 0.79162 0.50000 1.0000 + Co Co495 1.0 0.63891 0.83328 0.50000 1.0000 + Co Co496 1.0 0.59724 0.87495 0.50000 1.0000 + Co Co497 1.0 0.55557 0.91662 0.50000 1.0000 + Co Co498 1.0 0.51391 0.95828 0.50000 1.0000 + Co Co499 1.0 0.47224 0.99995 0.50000 1.0000 + Co Co500 1.0 0.43057 0.04162 0.50000 1.0000 + Co Co501 1.0 0.38891 0.08328 0.50000 1.0000 + Co Co502 1.0 0.34724 0.12495 0.50000 1.0000 + Co Co503 1.0 0.30557 0.16662 0.50000 1.0000 + Co Co504 1.0 0.26391 0.20828 0.50000 1.0000 + Co Co505 1.0 0.76391 0.79162 0.50000 1.0000 + Co Co506 1.0 0.72224 0.83328 0.50000 1.0000 + Co Co507 1.0 0.68057 0.87495 0.50000 1.0000 + Co Co508 1.0 0.63891 0.91662 0.50000 1.0000 + Co Co509 1.0 0.59724 0.95828 0.50000 1.0000 + Co Co510 1.0 0.55557 0.99995 0.50000 1.0000 + Co Co511 1.0 0.51391 0.04162 0.50000 1.0000 + Co Co512 1.0 0.47224 0.08328 0.50000 1.0000 + Co Co513 1.0 0.43057 0.12495 0.50000 1.0000 + Co Co514 1.0 0.38891 0.16662 0.50000 1.0000 + Co Co515 1.0 0.34724 0.20828 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Ti144Co432O1152Ti144Co432O1152 +_chemical_formula_sum "Ti288 Co864 O2304" +_cell_length_a 122.138 +_cell_length_b 70.5165 +_cell_length_c 5.97834 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Ti Ti1 1.0 0.00000 0.00000 0.50000 1.0000 + Ti Ti2 1.0 0.04167 0.04167 0.50000 1.0000 + Ti Ti3 1.0 0.08333 0.08333 0.50000 1.0000 + Ti Ti4 1.0 0.12500 0.12500 0.50000 1.0000 + Ti Ti5 1.0 0.16667 0.16667 0.50000 1.0000 + Ti Ti6 1.0 0.20833 0.20833 0.50000 1.0000 + Ti Ti7 1.0 0.25000 0.25000 0.50000 1.0000 + Ti Ti8 1.0 0.29167 0.29167 0.50000 1.0000 + Ti Ti9 1.0 0.33333 0.33333 0.50000 1.0000 + Ti Ti10 1.0 0.37500 0.37500 0.50000 1.0000 + Ti Ti11 1.0 0.41667 0.41667 0.50000 1.0000 + Ti Ti12 1.0 0.45833 0.45833 0.50000 1.0000 + Ti Ti13 1.0 0.04167 0.95833 0.50000 1.0000 + Ti Ti14 1.0 0.08333 0.00000 0.50000 1.0000 + Ti Ti15 1.0 0.12500 0.04167 0.50000 1.0000 + Ti Ti16 1.0 0.16667 0.08333 0.50000 1.0000 + Ti Ti17 1.0 0.20833 0.12500 0.50000 1.0000 + Ti Ti18 1.0 0.25000 0.16667 0.50000 1.0000 + Ti Ti19 1.0 0.29167 0.20833 0.50000 1.0000 + Ti Ti20 1.0 0.33333 0.25000 0.50000 1.0000 + Ti Ti21 1.0 0.37500 0.29167 0.50000 1.0000 + Ti Ti22 1.0 0.41667 0.33333 0.50000 1.0000 + Ti Ti23 1.0 0.45833 0.37500 0.50000 1.0000 + Ti Ti24 1.0 0.50000 0.41667 0.50000 1.0000 + Ti Ti25 1.0 0.08333 0.91667 0.50000 1.0000 + Ti Ti26 1.0 0.12500 0.95833 0.50000 1.0000 + Ti Ti27 1.0 0.16667 0.00000 0.50000 1.0000 + Ti Ti28 1.0 0.20833 0.04167 0.50000 1.0000 + Ti Ti29 1.0 0.25000 0.08333 0.50000 1.0000 + Ti Ti30 1.0 0.29167 0.12500 0.50000 1.0000 + Ti Ti31 1.0 0.33333 0.16667 0.50000 1.0000 + Ti Ti32 1.0 0.37500 0.20833 0.50000 1.0000 + Ti Ti33 1.0 0.41667 0.25000 0.50000 1.0000 + Ti Ti34 1.0 0.45833 0.29167 0.50000 1.0000 + Ti Ti35 1.0 0.50000 0.33333 0.50000 1.0000 + Ti Ti36 1.0 0.54167 0.37500 0.50000 1.0000 + Ti Ti37 1.0 0.12500 0.87500 0.50000 1.0000 + Ti Ti38 1.0 0.16667 0.91667 0.50000 1.0000 + Ti Ti39 1.0 0.20833 0.95833 0.50000 1.0000 + Ti Ti40 1.0 0.25000 0.00000 0.50000 1.0000 + Ti Ti41 1.0 0.29167 0.04167 0.50000 1.0000 + Ti Ti42 1.0 0.33333 0.08333 0.50000 1.0000 + Ti Ti43 1.0 0.37500 0.12500 0.50000 1.0000 + Ti Ti44 1.0 0.41667 0.16667 0.50000 1.0000 + Ti Ti45 1.0 0.45833 0.20833 0.50000 1.0000 + Ti Ti46 1.0 0.50000 0.25000 0.50000 1.0000 + Ti Ti47 1.0 0.54167 0.29167 0.50000 1.0000 + Ti Ti48 1.0 0.58333 0.33333 0.50000 1.0000 + Ti Ti49 1.0 0.16667 0.83333 0.50000 1.0000 + Ti Ti50 1.0 0.20833 0.87500 0.50000 1.0000 + Ti Ti51 1.0 0.25000 0.91667 0.50000 1.0000 + Ti Ti52 1.0 0.29167 0.95833 0.50000 1.0000 + Ti Ti53 1.0 0.33333 0.00000 0.50000 1.0000 + Ti Ti54 1.0 0.37500 0.04167 0.50000 1.0000 + Ti Ti55 1.0 0.41667 0.08333 0.50000 1.0000 + Ti Ti56 1.0 0.45833 0.12500 0.50000 1.0000 + Ti Ti57 1.0 0.50000 0.16667 0.50000 1.0000 + Ti Ti58 1.0 0.54167 0.20833 0.50000 1.0000 + Ti Ti59 1.0 0.58333 0.25000 0.50000 1.0000 + Ti Ti60 1.0 0.62500 0.29167 0.50000 1.0000 + Ti Ti61 1.0 0.20833 0.79167 0.50000 1.0000 + Ti Ti62 1.0 0.25000 0.83333 0.50000 1.0000 + Ti Ti63 1.0 0.29167 0.87500 0.50000 1.0000 + Ti Ti64 1.0 0.33333 0.91667 0.50000 1.0000 + Ti Ti65 1.0 0.37500 0.95833 0.50000 1.0000 + Ti Ti66 1.0 0.41667 1.00000 0.50000 1.0000 + Ti Ti67 1.0 0.45833 0.04167 0.50000 1.0000 + Ti Ti68 1.0 0.50000 0.08333 0.50000 1.0000 + Ti Ti69 1.0 0.54167 0.12500 0.50000 1.0000 + Ti Ti70 1.0 0.58333 0.16667 0.50000 1.0000 + Ti Ti71 1.0 0.62500 0.20833 0.50000 1.0000 + Ti Ti72 1.0 0.66667 0.25000 0.50000 1.0000 + Ti Ti73 1.0 0.25000 0.75000 0.50000 1.0000 + Ti Ti74 1.0 0.29167 0.79167 0.50000 1.0000 + Ti Ti75 1.0 0.33333 0.83333 0.50000 1.0000 + Ti Ti76 1.0 0.37500 0.87500 0.50000 1.0000 + Ti Ti77 1.0 0.41667 0.91667 0.50000 1.0000 + Ti Ti78 1.0 0.45833 0.95833 0.50000 1.0000 + Ti Ti79 1.0 0.50000 1.00000 0.50000 1.0000 + Ti Ti80 1.0 0.54167 0.04167 0.50000 1.0000 + Ti Ti81 1.0 0.58333 0.08333 0.50000 1.0000 + Ti Ti82 1.0 0.62500 0.12500 0.50000 1.0000 + Ti Ti83 1.0 0.66667 0.16667 0.50000 1.0000 + Ti Ti84 1.0 0.70833 0.20833 0.50000 1.0000 + Ti Ti85 1.0 0.29167 0.70833 0.50000 1.0000 + Ti Ti86 1.0 0.33333 0.75000 0.50000 1.0000 + Ti Ti87 1.0 0.37500 0.79167 0.50000 1.0000 + Ti Ti88 1.0 0.41667 0.83333 0.50000 1.0000 + Ti Ti89 1.0 0.45833 0.87500 0.50000 1.0000 + Ti Ti90 1.0 0.50000 0.91667 0.50000 1.0000 + Ti Ti91 1.0 0.54167 0.95833 0.50000 1.0000 + Ti Ti92 1.0 0.58333 1.00000 0.50000 1.0000 + Ti Ti93 1.0 0.62500 0.04167 0.50000 1.0000 + Ti Ti94 1.0 0.66667 0.08333 0.50000 1.0000 + Ti Ti95 1.0 0.70833 0.12500 0.50000 1.0000 + Ti Ti96 1.0 0.75000 0.16667 0.50000 1.0000 + Ti Ti97 1.0 0.33333 0.66667 0.50000 1.0000 + Ti Ti98 1.0 0.37500 0.70833 0.50000 1.0000 + Ti Ti99 1.0 0.41667 0.75000 0.50000 1.0000 + Ti Ti100 1.0 0.45833 0.79167 0.50000 1.0000 + Ti Ti101 1.0 0.50000 0.83333 0.50000 1.0000 + Ti Ti102 1.0 0.54167 0.87500 0.50000 1.0000 + Ti Ti103 1.0 0.58333 0.91667 0.50000 1.0000 + Ti Ti104 1.0 0.62500 0.95833 0.50000 1.0000 + Ti Ti105 1.0 0.66667 1.00000 0.50000 1.0000 + Ti Ti106 1.0 0.70833 0.04167 0.50000 1.0000 + Ti Ti107 1.0 0.75000 0.08333 0.50000 1.0000 + Ti Ti108 1.0 0.79167 0.12500 0.50000 1.0000 + Ti Ti109 1.0 0.37500 0.62500 0.50000 1.0000 + Ti Ti110 1.0 0.41667 0.66667 0.50000 1.0000 + Ti Ti111 1.0 0.45833 0.70833 0.50000 1.0000 + Ti Ti112 1.0 0.50000 0.75000 0.50000 1.0000 + Ti Ti113 1.0 0.54167 0.79167 0.50000 1.0000 + Ti Ti114 1.0 0.58333 0.83333 0.50000 1.0000 + Ti Ti115 1.0 0.62500 0.87500 0.50000 1.0000 + Ti Ti116 1.0 0.66667 0.91667 0.50000 1.0000 + Ti Ti117 1.0 0.70833 0.95833 0.50000 1.0000 + Ti Ti118 1.0 0.75000 1.00000 0.50000 1.0000 + Ti Ti119 1.0 0.79167 0.04167 0.50000 1.0000 + Ti Ti120 1.0 0.83333 0.08333 0.50000 1.0000 + Ti Ti121 1.0 0.41667 0.58333 0.50000 1.0000 + Ti Ti122 1.0 0.45833 0.62500 0.50000 1.0000 + Ti Ti123 1.0 0.50000 0.66667 0.50000 1.0000 + Ti Ti124 1.0 0.54167 0.70833 0.50000 1.0000 + Ti Ti125 1.0 0.58333 0.75000 0.50000 1.0000 + Ti Ti126 1.0 0.62500 0.79167 0.50000 1.0000 + Ti Ti127 1.0 0.66667 0.83333 0.50000 1.0000 + Ti Ti128 1.0 0.70833 0.87500 0.50000 1.0000 + Ti Ti129 1.0 0.75000 0.91667 0.50000 1.0000 + Ti Ti130 1.0 0.79167 0.95833 0.50000 1.0000 + Ti Ti131 1.0 0.83333 1.00000 0.50000 1.0000 + Ti Ti132 1.0 0.87500 0.04167 0.50000 1.0000 + Ti Ti133 1.0 0.45833 0.54167 0.50000 1.0000 + Ti Ti134 1.0 0.50000 0.58333 0.50000 1.0000 + Ti Ti135 1.0 0.54167 0.62500 0.50000 1.0000 + Ti Ti136 1.0 0.58333 0.66667 0.50000 1.0000 + Ti Ti137 1.0 0.62500 0.70833 0.50000 1.0000 + Ti Ti138 1.0 0.66667 0.75000 0.50000 1.0000 + Ti Ti139 1.0 0.70833 0.79167 0.50000 1.0000 + Ti Ti140 1.0 0.75000 0.83333 0.50000 1.0000 + Ti Ti141 1.0 0.79167 0.87500 0.50000 1.0000 + Ti Ti142 1.0 0.83333 0.91667 0.50000 1.0000 + Ti Ti143 1.0 0.87500 0.95833 0.50000 1.0000 + Ti Ti144 1.0 0.91667 0.00000 0.50000 1.0000 + Co Co1 1.0 0.04167 0.00000 0.50000 1.0000 + Co Co2 1.0 0.08333 0.04167 0.50000 1.0000 + Co Co3 1.0 0.12500 0.08333 0.50000 1.0000 + Co Co4 1.0 0.16667 0.12500 0.50000 1.0000 + Co Co5 1.0 0.20833 0.16667 0.50000 1.0000 + Co Co6 1.0 0.25000 0.20833 0.50000 1.0000 + Co Co7 1.0 0.29167 0.25000 0.50000 1.0000 + Co Co8 1.0 0.33333 0.29167 0.50000 1.0000 + Co Co9 1.0 0.37500 0.33333 0.50000 1.0000 + Co Co10 1.0 0.41667 0.37500 0.50000 1.0000 + Co Co11 1.0 0.45833 0.41667 0.50000 1.0000 + Co Co12 1.0 0.50000 0.45833 0.50000 1.0000 + Co Co13 1.0 0.08333 0.95833 0.50000 1.0000 + Co Co14 1.0 0.12500 0.00000 0.50000 1.0000 + Co Co15 1.0 0.16667 0.04167 0.50000 1.0000 + Co Co16 1.0 0.20833 0.08333 0.50000 1.0000 + Co Co17 1.0 0.25000 0.12500 0.50000 1.0000 + Co Co18 1.0 0.29167 0.16667 0.50000 1.0000 + Co Co19 1.0 0.33333 0.20833 0.50000 1.0000 + Co Co20 1.0 0.37500 0.25000 0.50000 1.0000 + Co Co21 1.0 0.41667 0.29167 0.50000 1.0000 + Co Co22 1.0 0.45833 0.33333 0.50000 1.0000 + Co Co23 1.0 0.50000 0.37500 0.50000 1.0000 + Co Co24 1.0 0.54167 0.41667 0.50000 1.0000 + Co Co25 1.0 0.12500 0.91667 0.50000 1.0000 + Co Co26 1.0 0.16667 0.95833 0.50000 1.0000 + Co Co27 1.0 0.20833 0.00000 0.50000 1.0000 + Co Co28 1.0 0.25000 0.04167 0.50000 1.0000 + Co Co29 1.0 0.29167 0.08333 0.50000 1.0000 + Co Co30 1.0 0.33333 0.12500 0.50000 1.0000 + Co Co31 1.0 0.37500 0.16667 0.50000 1.0000 + Co Co32 1.0 0.41667 0.20833 0.50000 1.0000 + Co Co33 1.0 0.45833 0.25000 0.50000 1.0000 + Co Co34 1.0 0.50000 0.29167 0.50000 1.0000 + Co Co35 1.0 0.54167 0.33333 0.50000 1.0000 + Co Co36 1.0 0.58333 0.37500 0.50000 1.0000 + Co Co37 1.0 0.16667 0.87500 0.50000 1.0000 + Co Co38 1.0 0.20833 0.91667 0.50000 1.0000 + Co Co39 1.0 0.25000 0.95833 0.50000 1.0000 + Co Co40 1.0 0.29167 1.00000 0.50000 1.0000 + Co Co41 1.0 0.33333 0.04167 0.50000 1.0000 + Co Co42 1.0 0.37500 0.08333 0.50000 1.0000 + Co Co43 1.0 0.41667 0.12500 0.50000 1.0000 + Co Co44 1.0 0.45833 0.16667 0.50000 1.0000 + Co Co45 1.0 0.50000 0.20833 0.50000 1.0000 + Co Co46 1.0 0.54167 0.25000 0.50000 1.0000 + Co Co47 1.0 0.58333 0.29167 0.50000 1.0000 + Co Co48 1.0 0.62500 0.33333 0.50000 1.0000 + Co Co49 1.0 0.20833 0.83333 0.50000 1.0000 + Co Co50 1.0 0.25000 0.87500 0.50000 1.0000 + Co Co51 1.0 0.29167 0.91667 0.50000 1.0000 + Co Co52 1.0 0.33333 0.95833 0.50000 1.0000 + Co Co53 1.0 0.37500 1.00000 0.50000 1.0000 + Co Co54 1.0 0.41667 0.04167 0.50000 1.0000 + Co Co55 1.0 0.45833 0.08333 0.50000 1.0000 + Co Co56 1.0 0.50000 0.12500 0.50000 1.0000 + Co Co57 1.0 0.54167 0.16667 0.50000 1.0000 + Co Co58 1.0 0.58333 0.20833 0.50000 1.0000 + Co Co59 1.0 0.62500 0.25000 0.50000 1.0000 + Co Co60 1.0 0.66667 0.29167 0.50000 1.0000 + Co Co61 1.0 0.25000 0.79167 0.50000 1.0000 + Co Co62 1.0 0.29167 0.83333 0.50000 1.0000 + Co Co63 1.0 0.33333 0.87500 0.50000 1.0000 + Co Co64 1.0 0.37500 0.91667 0.50000 1.0000 + Co Co65 1.0 0.41667 0.95833 0.50000 1.0000 + Co Co66 1.0 0.45833 0.00000 0.50000 1.0000 + Co Co67 1.0 0.50000 0.04167 0.50000 1.0000 + Co Co68 1.0 0.54167 0.08333 0.50000 1.0000 + Co Co69 1.0 0.58333 0.12500 0.50000 1.0000 + Co Co70 1.0 0.62500 0.16667 0.50000 1.0000 + Co Co71 1.0 0.66667 0.20833 0.50000 1.0000 + Co Co72 1.0 0.70833 0.25000 0.50000 1.0000 + Co Co73 1.0 0.29167 0.75000 0.50000 1.0000 + Co Co74 1.0 0.33333 0.79167 0.50000 1.0000 + Co Co75 1.0 0.37500 0.83333 0.50000 1.0000 + Co Co76 1.0 0.41667 0.87500 0.50000 1.0000 + Co Co77 1.0 0.45833 0.91667 0.50000 1.0000 + Co Co78 1.0 0.50000 0.95833 0.50000 1.0000 + Co Co79 1.0 0.54167 0.00000 0.50000 1.0000 + Co Co80 1.0 0.58333 0.04167 0.50000 1.0000 + Co Co81 1.0 0.62500 0.08333 0.50000 1.0000 + Co Co82 1.0 0.66667 0.12500 0.50000 1.0000 + Co Co83 1.0 0.70833 0.16667 0.50000 1.0000 + Co Co84 1.0 0.75000 0.20833 0.50000 1.0000 + Co Co85 1.0 0.33333 0.70833 0.50000 1.0000 + Co Co86 1.0 0.37500 0.75000 0.50000 1.0000 + Co Co87 1.0 0.41667 0.79167 0.50000 1.0000 + Co Co88 1.0 0.45833 0.83333 0.50000 1.0000 + Co Co89 1.0 0.50000 0.87500 0.50000 1.0000 + Co Co90 1.0 0.54167 0.91667 0.50000 1.0000 + Co Co91 1.0 0.58333 0.95833 0.50000 1.0000 + Co Co92 1.0 0.62500 0.00000 0.50000 1.0000 + Co Co93 1.0 0.66667 0.04167 0.50000 1.0000 + Co Co94 1.0 0.70833 0.08333 0.50000 1.0000 + Co Co95 1.0 0.75000 0.12500 0.50000 1.0000 + Co Co96 1.0 0.79167 0.16667 0.50000 1.0000 + Co Co97 1.0 0.37500 0.66667 0.50000 1.0000 + Co Co98 1.0 0.41667 0.70833 0.50000 1.0000 + Co Co99 1.0 0.45833 0.75000 0.50000 1.0000 + Co Co100 1.0 0.50000 0.79167 0.50000 1.0000 + Co Co101 1.0 0.54167 0.83333 0.50000 1.0000 + Co Co102 1.0 0.58333 0.87500 0.50000 1.0000 + Co Co103 1.0 0.62500 0.91667 0.50000 1.0000 + Co Co104 1.0 0.66667 0.95833 0.50000 1.0000 + Co Co105 1.0 0.70833 1.00000 0.50000 1.0000 + Co Co106 1.0 0.75000 0.04167 0.50000 1.0000 + Co Co107 1.0 0.79167 0.08333 0.50000 1.0000 + Co Co108 1.0 0.83333 0.12500 0.50000 1.0000 + Co Co109 1.0 0.41667 0.62500 0.50000 1.0000 + Co Co110 1.0 0.45833 0.66667 0.50000 1.0000 + Co 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0.66085 1.0000 + O O982 1.0 0.79871 0.97946 0.66085 1.0000 + O O983 1.0 0.84038 0.02113 0.66085 1.0000 + O O984 1.0 0.88204 0.06280 0.66085 1.0000 + O O985 1.0 0.46538 0.56280 0.66085 1.0000 + O O986 1.0 0.50704 0.60446 0.66085 1.0000 + O O987 1.0 0.54871 0.64613 0.66085 1.0000 + O O988 1.0 0.59038 0.68780 0.66085 1.0000 + O O989 1.0 0.63204 0.72946 0.66085 1.0000 + O O990 1.0 0.67371 0.77113 0.66085 1.0000 + O O991 1.0 0.71538 0.81280 0.66085 1.0000 + O O992 1.0 0.75704 0.85446 0.66085 1.0000 + O O993 1.0 0.79871 0.89613 0.66085 1.0000 + O O994 1.0 0.84038 0.93780 0.66085 1.0000 + O O995 1.0 0.88204 0.97946 0.66085 1.0000 + O O996 1.0 0.92371 0.02113 0.66085 1.0000 + O O997 1.0 0.50704 0.52113 0.66085 1.0000 + O O998 1.0 0.54871 0.56280 0.66085 1.0000 + O O999 1.0 0.59038 0.60446 0.66085 1.0000 + O O1000 1.0 0.63204 0.64613 0.66085 1.0000 + O O1001 1.0 0.67371 0.68780 0.66085 1.0000 + O O1002 1.0 0.71538 0.72946 0.66085 1.0000 + O O1003 1.0 0.75704 0.77113 0.66085 1.0000 + O O1004 1.0 0.79871 0.81280 0.66085 1.0000 + O O1005 1.0 0.84038 0.85446 0.66085 1.0000 + O O1006 1.0 0.88204 0.89613 0.66085 1.0000 + O O1007 1.0 0.92371 0.93780 0.66085 1.0000 + O O1008 1.0 0.96538 0.97946 0.66085 1.0000 + O O1009 1.0 0.04871 0.02054 0.66085 1.0000 + O O1010 1.0 0.09038 0.06220 0.66085 1.0000 + O O1011 1.0 0.13204 0.10387 0.66085 1.0000 + O O1012 1.0 0.17371 0.14554 0.66085 1.0000 + O O1013 1.0 0.21538 0.18720 0.66085 1.0000 + O O1014 1.0 0.25704 0.22887 0.66085 1.0000 + O O1015 1.0 0.29871 0.27054 0.66085 1.0000 + O O1016 1.0 0.34038 0.31220 0.66085 1.0000 + O O1017 1.0 0.38204 0.35387 0.66085 1.0000 + O O1018 1.0 0.42371 0.39554 0.66085 1.0000 + O O1019 1.0 0.46538 0.43720 0.66085 1.0000 + O O1020 1.0 0.50704 0.47887 0.66085 1.0000 + O O1021 1.0 0.09038 0.97887 0.66085 1.0000 + O O1022 1.0 0.13204 0.02054 0.66085 1.0000 + O O1023 1.0 0.17371 0.06220 0.66085 1.0000 + O O1024 1.0 0.21538 0.10387 0.66085 1.0000 + O O1025 1.0 0.25704 0.14554 0.66085 1.0000 + O O1026 1.0 0.29871 0.18720 0.66085 1.0000 + O O1027 1.0 0.34038 0.22887 0.66085 1.0000 + O O1028 1.0 0.38204 0.27054 0.66085 1.0000 + O O1029 1.0 0.42371 0.31220 0.66085 1.0000 + O O1030 1.0 0.46538 0.35387 0.66085 1.0000 + O O1031 1.0 0.50704 0.39554 0.66085 1.0000 + O O1032 1.0 0.54871 0.43720 0.66085 1.0000 + O O1033 1.0 0.13204 0.93720 0.66085 1.0000 + O O1034 1.0 0.17371 0.97887 0.66085 1.0000 + O O1035 1.0 0.21538 0.02054 0.66085 1.0000 + O O1036 1.0 0.25704 0.06220 0.66085 1.0000 + O O1037 1.0 0.29871 0.10387 0.66085 1.0000 + O O1038 1.0 0.34038 0.14554 0.66085 1.0000 + O O1039 1.0 0.38204 0.18720 0.66085 1.0000 + O O1040 1.0 0.42371 0.22887 0.66085 1.0000 + O O1041 1.0 0.46538 0.27054 0.66085 1.0000 + O O1042 1.0 0.50704 0.31220 0.66085 1.0000 + O O1043 1.0 0.54871 0.35387 0.66085 1.0000 + O O1044 1.0 0.59038 0.39554 0.66085 1.0000 + O O1045 1.0 0.17371 0.89554 0.66085 1.0000 + O O1046 1.0 0.21538 0.93720 0.66085 1.0000 + O O1047 1.0 0.25704 0.97887 0.66085 1.0000 + O O1048 1.0 0.29871 0.02054 0.66085 1.0000 + O O1049 1.0 0.34038 0.06220 0.66085 1.0000 + O O1050 1.0 0.38204 0.10387 0.66085 1.0000 + O O1051 1.0 0.42371 0.14554 0.66085 1.0000 + O O1052 1.0 0.46538 0.18720 0.66085 1.0000 + O O1053 1.0 0.50704 0.22887 0.66085 1.0000 + O O1054 1.0 0.54871 0.27054 0.66085 1.0000 + O O1055 1.0 0.59038 0.31220 0.66085 1.0000 + O O1056 1.0 0.63204 0.35387 0.66085 1.0000 + O O1057 1.0 0.21538 0.85387 0.66085 1.0000 + O O1058 1.0 0.25704 0.89554 0.66085 1.0000 + O O1059 1.0 0.29871 0.93720 0.66085 1.0000 + O O1060 1.0 0.34038 0.97887 0.66085 1.0000 + O O1061 1.0 0.38204 0.02054 0.66085 1.0000 + O O1062 1.0 0.42371 0.06220 0.66085 1.0000 + O O1063 1.0 0.46538 0.10387 0.66085 1.0000 + O O1064 1.0 0.50704 0.14554 0.66085 1.0000 + O O1065 1.0 0.54871 0.18720 0.66085 1.0000 + O O1066 1.0 0.59038 0.22887 0.66085 1.0000 + O O1067 1.0 0.63204 0.27054 0.66085 1.0000 + O O1068 1.0 0.67371 0.31220 0.66085 1.0000 + O O1069 1.0 0.25704 0.81220 0.66085 1.0000 + O O1070 1.0 0.29871 0.85387 0.66085 1.0000 + O O1071 1.0 0.34038 0.89554 0.66085 1.0000 + O O1072 1.0 0.38204 0.93720 0.66085 1.0000 + O O1073 1.0 0.42371 0.97887 0.66085 1.0000 + O O1074 1.0 0.46538 0.02054 0.66085 1.0000 + O O1075 1.0 0.50704 0.06220 0.66085 1.0000 + O O1076 1.0 0.54871 0.10387 0.66085 1.0000 + O O1077 1.0 0.59038 0.14554 0.66085 1.0000 + O O1078 1.0 0.63204 0.18720 0.66085 1.0000 + O O1079 1.0 0.67371 0.22887 0.66085 1.0000 + O O1080 1.0 0.71538 0.27054 0.66085 1.0000 + O O1081 1.0 0.29871 0.77054 0.66085 1.0000 + O O1082 1.0 0.34038 0.81220 0.66085 1.0000 + O O1083 1.0 0.38204 0.85387 0.66085 1.0000 + O O1084 1.0 0.42371 0.89554 0.66085 1.0000 + O O1085 1.0 0.46538 0.93720 0.66085 1.0000 + O O1086 1.0 0.50704 0.97887 0.66085 1.0000 + O O1087 1.0 0.54871 0.02054 0.66085 1.0000 + O O1088 1.0 0.59038 0.06220 0.66085 1.0000 + O O1089 1.0 0.63204 0.10387 0.66085 1.0000 + O O1090 1.0 0.67371 0.14554 0.66085 1.0000 + O O1091 1.0 0.71538 0.18720 0.66085 1.0000 + O O1092 1.0 0.75704 0.22887 0.66085 1.0000 + O O1093 1.0 0.34038 0.72887 0.66085 1.0000 + O O1094 1.0 0.38204 0.77054 0.66085 1.0000 + O O1095 1.0 0.42371 0.81220 0.66085 1.0000 + O O1096 1.0 0.46538 0.85387 0.66085 1.0000 + O O1097 1.0 0.50704 0.89554 0.66085 1.0000 + O O1098 1.0 0.54871 0.93720 0.66085 1.0000 + O O1099 1.0 0.59038 0.97887 0.66085 1.0000 + O O1100 1.0 0.63204 0.02054 0.66085 1.0000 + O O1101 1.0 0.67371 0.06220 0.66085 1.0000 + O O1102 1.0 0.71538 0.10387 0.66085 1.0000 + O O1103 1.0 0.75704 0.14554 0.66085 1.0000 + O O1104 1.0 0.79871 0.18720 0.66085 1.0000 + O O1105 1.0 0.38204 0.68720 0.66085 1.0000 + O O1106 1.0 0.42371 0.72887 0.66085 1.0000 + O O1107 1.0 0.46538 0.77054 0.66085 1.0000 + O O1108 1.0 0.50704 0.81220 0.66085 1.0000 + O O1109 1.0 0.54871 0.85387 0.66085 1.0000 + O O1110 1.0 0.59038 0.89554 0.66085 1.0000 + O O1111 1.0 0.63204 0.93720 0.66085 1.0000 + O O1112 1.0 0.67371 0.97887 0.66085 1.0000 + O O1113 1.0 0.71538 0.02054 0.66085 1.0000 + O O1114 1.0 0.75704 0.06220 0.66085 1.0000 + O O1115 1.0 0.79871 0.10387 0.66085 1.0000 + O O1116 1.0 0.84038 0.14554 0.66085 1.0000 + O O1117 1.0 0.42371 0.64554 0.66085 1.0000 + O O1118 1.0 0.46538 0.68720 0.66085 1.0000 + O O1119 1.0 0.50704 0.72887 0.66085 1.0000 + O O1120 1.0 0.54871 0.77054 0.66085 1.0000 + O O1121 1.0 0.59038 0.81220 0.66085 1.0000 + O O1122 1.0 0.63204 0.85387 0.66085 1.0000 + O O1123 1.0 0.67371 0.89554 0.66085 1.0000 + O O1124 1.0 0.71538 0.93720 0.66085 1.0000 + O O1125 1.0 0.75704 0.97887 0.66085 1.0000 + O O1126 1.0 0.79871 0.02054 0.66085 1.0000 + O O1127 1.0 0.84038 0.06220 0.66085 1.0000 + O O1128 1.0 0.88204 0.10387 0.66085 1.0000 + O O1129 1.0 0.46538 0.60387 0.66085 1.0000 + O O1130 1.0 0.50704 0.64554 0.66085 1.0000 + O O1131 1.0 0.54871 0.68720 0.66085 1.0000 + O O1132 1.0 0.59038 0.72887 0.66085 1.0000 + O O1133 1.0 0.63204 0.77054 0.66085 1.0000 + O O1134 1.0 0.67371 0.81220 0.66085 1.0000 + O O1135 1.0 0.71538 0.85387 0.66085 1.0000 + O O1136 1.0 0.75704 0.89554 0.66085 1.0000 + O O1137 1.0 0.79871 0.93720 0.66085 1.0000 + O O1138 1.0 0.84038 0.97887 0.66085 1.0000 + O O1139 1.0 0.88204 0.02054 0.66085 1.0000 + O O1140 1.0 0.92371 0.06220 0.66085 1.0000 + O O1141 1.0 0.50704 0.56220 0.66085 1.0000 + O O1142 1.0 0.54871 0.60387 0.66085 1.0000 + O O1143 1.0 0.59038 0.64554 0.66085 1.0000 + O O1144 1.0 0.63204 0.68720 0.66085 1.0000 + O O1145 1.0 0.67371 0.72887 0.66085 1.0000 + O O1146 1.0 0.71538 0.77054 0.66085 1.0000 + O O1147 1.0 0.75704 0.81220 0.66085 1.0000 + O O1148 1.0 0.79871 0.85387 0.66085 1.0000 + O O1149 1.0 0.84038 0.89554 0.66085 1.0000 + O O1150 1.0 0.88204 0.93720 0.66085 1.0000 + O O1151 1.0 0.92371 0.97887 0.66085 1.0000 + O O1152 1.0 0.96538 0.02054 0.66085 1.0000 + Ti Ti145 1.0 0.50000 0.50000 0.50000 1.0000 + Ti Ti146 1.0 0.54167 0.54167 0.50000 1.0000 + Ti Ti147 1.0 0.58333 0.58333 0.50000 1.0000 + Ti Ti148 1.0 0.62500 0.62500 0.50000 1.0000 + Ti Ti149 1.0 0.66667 0.66667 0.50000 1.0000 + Ti Ti150 1.0 0.70833 0.70833 0.50000 1.0000 + Ti Ti151 1.0 0.75000 0.75000 0.50000 1.0000 + Ti Ti152 1.0 0.79167 0.79167 0.50000 1.0000 + Ti Ti153 1.0 0.83333 0.83333 0.50000 1.0000 + Ti Ti154 1.0 0.87500 0.87500 0.50000 1.0000 + Ti Ti155 1.0 0.91667 0.91667 0.50000 1.0000 + Ti Ti156 1.0 0.95833 0.95833 0.50000 1.0000 + Ti Ti157 1.0 0.54167 0.45833 0.50000 1.0000 + Ti Ti158 1.0 0.58333 0.50000 0.50000 1.0000 + Ti Ti159 1.0 0.62500 0.54167 0.50000 1.0000 + Ti Ti160 1.0 0.66667 0.58333 0.50000 1.0000 + Ti Ti161 1.0 0.70833 0.62500 0.50000 1.0000 + Ti Ti162 1.0 0.75000 0.66667 0.50000 1.0000 + Ti Ti163 1.0 0.79167 0.70833 0.50000 1.0000 + Ti Ti164 1.0 0.83333 0.75000 0.50000 1.0000 + Ti Ti165 1.0 0.87500 0.79167 0.50000 1.0000 + Ti Ti166 1.0 0.91667 0.83333 0.50000 1.0000 + Ti Ti167 1.0 0.95833 0.87500 0.50000 1.0000 + Ti Ti168 1.0 0.00000 0.91667 0.50000 1.0000 + Ti Ti169 1.0 0.58333 0.41667 0.50000 1.0000 + Ti Ti170 1.0 0.62500 0.45833 0.50000 1.0000 + Ti Ti171 1.0 0.66667 0.50000 0.50000 1.0000 + Ti Ti172 1.0 0.70833 0.54167 0.50000 1.0000 + Ti Ti173 1.0 0.75000 0.58333 0.50000 1.0000 + Ti Ti174 1.0 0.79167 0.62500 0.50000 1.0000 + Ti Ti175 1.0 0.83333 0.66667 0.50000 1.0000 + Ti Ti176 1.0 0.87500 0.70833 0.50000 1.0000 + Ti Ti177 1.0 0.91667 0.75000 0.50000 1.0000 + Ti Ti178 1.0 0.95833 0.79167 0.50000 1.0000 + Ti Ti179 1.0 1.00000 0.83333 0.50000 1.0000 + Ti Ti180 1.0 0.04167 0.87500 0.50000 1.0000 + Ti Ti181 1.0 0.62500 0.37500 0.50000 1.0000 + Ti Ti182 1.0 0.66667 0.41667 0.50000 1.0000 + Ti Ti183 1.0 0.70833 0.45833 0.50000 1.0000 + Ti Ti184 1.0 0.75000 0.50000 0.50000 1.0000 + Ti Ti185 1.0 0.79167 0.54167 0.50000 1.0000 + Ti Ti186 1.0 0.83333 0.58333 0.50000 1.0000 + Ti Ti187 1.0 0.87500 0.62500 0.50000 1.0000 + Ti Ti188 1.0 0.91667 0.66667 0.50000 1.0000 + Ti Ti189 1.0 0.95833 0.70833 0.50000 1.0000 + Ti Ti190 1.0 1.00000 0.75000 0.50000 1.0000 + Ti Ti191 1.0 0.04167 0.79167 0.50000 1.0000 + Ti Ti192 1.0 0.08333 0.83333 0.50000 1.0000 + Ti Ti193 1.0 0.66667 0.33333 0.50000 1.0000 + Ti Ti194 1.0 0.70833 0.37500 0.50000 1.0000 + Ti Ti195 1.0 0.75000 0.41667 0.50000 1.0000 + Ti Ti196 1.0 0.79167 0.45833 0.50000 1.0000 + Ti Ti197 1.0 0.83333 0.50000 0.50000 1.0000 + Ti Ti198 1.0 0.87500 0.54167 0.50000 1.0000 + Ti Ti199 1.0 0.91667 0.58333 0.50000 1.0000 + Ti Ti200 1.0 0.95833 0.62500 0.50000 1.0000 + Ti Ti201 1.0 0.00000 0.66667 0.50000 1.0000 + Ti Ti202 1.0 0.04167 0.70833 0.50000 1.0000 + Ti Ti203 1.0 0.08333 0.75000 0.50000 1.0000 + Ti Ti204 1.0 0.12500 0.79167 0.50000 1.0000 + Ti Ti205 1.0 0.70833 0.29167 0.50000 1.0000 + Ti Ti206 1.0 0.75000 0.33333 0.50000 1.0000 + Ti Ti207 1.0 0.79167 0.37500 0.50000 1.0000 + Ti Ti208 1.0 0.83333 0.41667 0.50000 1.0000 + Ti Ti209 1.0 0.87500 0.45833 0.50000 1.0000 + Ti Ti210 1.0 0.91667 0.50000 0.50000 1.0000 + Ti Ti211 1.0 0.95833 0.54167 0.50000 1.0000 + Ti Ti212 1.0 0.00000 0.58333 0.50000 1.0000 + Ti Ti213 1.0 0.04167 0.62500 0.50000 1.0000 + Ti Ti214 1.0 0.08333 0.66667 0.50000 1.0000 + Ti Ti215 1.0 0.12500 0.70833 0.50000 1.0000 + Ti Ti216 1.0 0.16667 0.75000 0.50000 1.0000 + Ti Ti217 1.0 0.75000 0.25000 0.50000 1.0000 + Ti Ti218 1.0 0.79167 0.29167 0.50000 1.0000 + Ti Ti219 1.0 0.83333 0.33333 0.50000 1.0000 + Ti Ti220 1.0 0.87500 0.37500 0.50000 1.0000 + Ti Ti221 1.0 0.91667 0.41667 0.50000 1.0000 + Ti Ti222 1.0 0.95833 0.45833 0.50000 1.0000 + Ti Ti223 1.0 0.00000 0.50000 0.50000 1.0000 + Ti Ti224 1.0 0.04167 0.54167 0.50000 1.0000 + Ti Ti225 1.0 0.08333 0.58333 0.50000 1.0000 + Ti Ti226 1.0 0.12500 0.62500 0.50000 1.0000 + Ti Ti227 1.0 0.16667 0.66667 0.50000 1.0000 + Ti Ti228 1.0 0.20833 0.70833 0.50000 1.0000 + Ti Ti229 1.0 0.79167 0.20833 0.50000 1.0000 + Ti Ti230 1.0 0.83333 0.25000 0.50000 1.0000 + Ti Ti231 1.0 0.87500 0.29167 0.50000 1.0000 + Ti Ti232 1.0 0.91667 0.33333 0.50000 1.0000 + Ti Ti233 1.0 0.95833 0.37500 0.50000 1.0000 + Ti Ti234 1.0 1.00000 0.41667 0.50000 1.0000 + Ti Ti235 1.0 0.04167 0.45833 0.50000 1.0000 + Ti Ti236 1.0 0.08333 0.50000 0.50000 1.0000 + Ti Ti237 1.0 0.12500 0.54167 0.50000 1.0000 + Ti Ti238 1.0 0.16667 0.58333 0.50000 1.0000 + Ti Ti239 1.0 0.20833 0.62500 0.50000 1.0000 + Ti Ti240 1.0 0.25000 0.66667 0.50000 1.0000 + Ti Ti241 1.0 0.83333 0.16667 0.50000 1.0000 + Ti Ti242 1.0 0.87500 0.20833 0.50000 1.0000 + Ti Ti243 1.0 0.91667 0.25000 0.50000 1.0000 + Ti Ti244 1.0 0.95833 0.29167 0.50000 1.0000 + Ti Ti245 1.0 1.00000 0.33333 0.50000 1.0000 + Ti Ti246 1.0 0.04167 0.37500 0.50000 1.0000 + Ti Ti247 1.0 0.08333 0.41667 0.50000 1.0000 + Ti Ti248 1.0 0.12500 0.45833 0.50000 1.0000 + Ti Ti249 1.0 0.16667 0.50000 0.50000 1.0000 + Ti Ti250 1.0 0.20833 0.54167 0.50000 1.0000 + Ti Ti251 1.0 0.25000 0.58333 0.50000 1.0000 + Ti Ti252 1.0 0.29167 0.62500 0.50000 1.0000 + Ti Ti253 1.0 0.87500 0.12500 0.50000 1.0000 + Ti Ti254 1.0 0.91667 0.16667 0.50000 1.0000 + Ti Ti255 1.0 0.95833 0.20833 0.50000 1.0000 + Ti Ti256 1.0 1.00000 0.25000 0.50000 1.0000 + Ti Ti257 1.0 0.04167 0.29167 0.50000 1.0000 + Ti Ti258 1.0 0.08333 0.33333 0.50000 1.0000 + Ti Ti259 1.0 0.12500 0.37500 0.50000 1.0000 + Ti Ti260 1.0 0.16667 0.41667 0.50000 1.0000 + Ti Ti261 1.0 0.20833 0.45833 0.50000 1.0000 + Ti Ti262 1.0 0.25000 0.50000 0.50000 1.0000 + Ti Ti263 1.0 0.29167 0.54167 0.50000 1.0000 + Ti Ti264 1.0 0.33333 0.58333 0.50000 1.0000 + Ti Ti265 1.0 0.91667 0.08333 0.50000 1.0000 + Ti Ti266 1.0 0.95833 0.12500 0.50000 1.0000 + Ti Ti267 1.0 0.00000 0.16667 0.50000 1.0000 + Ti Ti268 1.0 0.04167 0.20833 0.50000 1.0000 + Ti Ti269 1.0 0.08333 0.25000 0.50000 1.0000 + Ti Ti270 1.0 0.12500 0.29167 0.50000 1.0000 + Ti Ti271 1.0 0.16667 0.33333 0.50000 1.0000 + Ti Ti272 1.0 0.20833 0.37500 0.50000 1.0000 + Ti Ti273 1.0 0.25000 0.41667 0.50000 1.0000 + Ti Ti274 1.0 0.29167 0.45833 0.50000 1.0000 + Ti Ti275 1.0 0.33333 0.50000 0.50000 1.0000 + Ti Ti276 1.0 0.37500 0.54167 0.50000 1.0000 + Ti Ti277 1.0 0.95833 0.04167 0.50000 1.0000 + Ti Ti278 1.0 1.00000 0.08333 0.50000 1.0000 + Ti Ti279 1.0 0.04167 0.12500 0.50000 1.0000 + Ti Ti280 1.0 0.08333 0.16667 0.50000 1.0000 + Ti Ti281 1.0 0.12500 0.20833 0.50000 1.0000 + Ti Ti282 1.0 0.16667 0.25000 0.50000 1.0000 + Ti Ti283 1.0 0.20833 0.29167 0.50000 1.0000 + Ti Ti284 1.0 0.25000 0.33333 0.50000 1.0000 + Ti Ti285 1.0 0.29167 0.37500 0.50000 1.0000 + Ti Ti286 1.0 0.33333 0.41667 0.50000 1.0000 + Ti Ti287 1.0 0.37500 0.45833 0.50000 1.0000 + Ti Ti288 1.0 0.41667 0.50000 0.50000 1.0000 + Co Co433 1.0 0.54167 0.50000 0.50000 1.0000 + Co Co434 1.0 0.58333 0.54167 0.50000 1.0000 + Co Co435 1.0 0.62500 0.58333 0.50000 1.0000 + Co Co436 1.0 0.66667 0.62500 0.50000 1.0000 + Co Co437 1.0 0.70833 0.66667 0.50000 1.0000 + Co Co438 1.0 0.75000 0.70833 0.50000 1.0000 + Co Co439 1.0 0.79167 0.75000 0.50000 1.0000 + Co Co440 1.0 0.83333 0.79167 0.50000 1.0000 + Co Co441 1.0 0.87500 0.83333 0.50000 1.0000 + Co Co442 1.0 0.91667 0.87500 0.50000 1.0000 + Co Co443 1.0 0.95833 0.91667 0.50000 1.0000 + Co Co444 1.0 1.00000 0.95833 0.50000 1.0000 + Co Co445 1.0 0.58333 0.45833 0.50000 1.0000 + Co Co446 1.0 0.62500 0.50000 0.50000 1.0000 + Co Co447 1.0 0.66667 0.54167 0.50000 1.0000 + Co Co448 1.0 0.70833 0.58333 0.50000 1.0000 + Co Co449 1.0 0.75000 0.62500 0.50000 1.0000 + Co Co450 1.0 0.79167 0.66667 0.50000 1.0000 + Co Co451 1.0 0.83333 0.70833 0.50000 1.0000 + Co Co452 1.0 0.87500 0.75000 0.50000 1.0000 + Co Co453 1.0 0.91667 0.79167 0.50000 1.0000 + Co Co454 1.0 0.95833 0.83333 0.50000 1.0000 + Co Co455 1.0 0.00000 0.87500 0.50000 1.0000 + Co Co456 1.0 0.04167 0.91667 0.50000 1.0000 + Co Co457 1.0 0.62500 0.41667 0.50000 1.0000 + Co Co458 1.0 0.66667 0.45833 0.50000 1.0000 + Co Co459 1.0 0.70833 0.50000 0.50000 1.0000 + Co Co460 1.0 0.75000 0.54167 0.50000 1.0000 + Co Co461 1.0 0.79167 0.58333 0.50000 1.0000 + Co Co462 1.0 0.83333 0.62500 0.50000 1.0000 + Co Co463 1.0 0.87500 0.66667 0.50000 1.0000 + Co Co464 1.0 0.91667 0.70833 0.50000 1.0000 + Co Co465 1.0 0.95833 0.75000 0.50000 1.0000 + Co Co466 1.0 0.00000 0.79167 0.50000 1.0000 + Co Co467 1.0 0.04167 0.83333 0.50000 1.0000 + Co Co468 1.0 0.08333 0.87500 0.50000 1.0000 + Co Co469 1.0 0.66667 0.37500 0.50000 1.0000 + Co Co470 1.0 0.70833 0.41667 0.50000 1.0000 + Co Co471 1.0 0.75000 0.45833 0.50000 1.0000 + Co Co472 1.0 0.79167 0.50000 0.50000 1.0000 + Co Co473 1.0 0.83333 0.54167 0.50000 1.0000 + Co Co474 1.0 0.87500 0.58333 0.50000 1.0000 + Co Co475 1.0 0.91667 0.62500 0.50000 1.0000 + Co Co476 1.0 0.95833 0.66667 0.50000 1.0000 + Co Co477 1.0 0.00000 0.70833 0.50000 1.0000 + Co Co478 1.0 0.04167 0.75000 0.50000 1.0000 + Co Co479 1.0 0.08333 0.79167 0.50000 1.0000 + Co Co480 1.0 0.12500 0.83333 0.50000 1.0000 + Co Co481 1.0 0.70833 0.33333 0.50000 1.0000 + Co Co482 1.0 0.75000 0.37500 0.50000 1.0000 + Co Co483 1.0 0.79167 0.41667 0.50000 1.0000 + Co Co484 1.0 0.83333 0.45833 0.50000 1.0000 + Co Co485 1.0 0.87500 0.50000 0.50000 1.0000 + Co Co486 1.0 0.91667 0.54167 0.50000 1.0000 + Co Co487 1.0 0.95833 0.58333 0.50000 1.0000 + Co Co488 1.0 0.00000 0.62500 0.50000 1.0000 + Co Co489 1.0 0.04167 0.66667 0.50000 1.0000 + Co Co490 1.0 0.08333 0.70833 0.50000 1.0000 + Co Co491 1.0 0.12500 0.75000 0.50000 1.0000 + Co Co492 1.0 0.16667 0.79167 0.50000 1.0000 + Co Co493 1.0 0.75000 0.29167 0.50000 1.0000 + Co Co494 1.0 0.79167 0.33333 0.50000 1.0000 + Co Co495 1.0 0.83333 0.37500 0.50000 1.0000 + Co Co496 1.0 0.87500 0.41667 0.50000 1.0000 + Co Co497 1.0 0.91667 0.45833 0.50000 1.0000 + Co Co498 1.0 0.95833 0.50000 0.50000 1.0000 + Co Co499 1.0 0.00000 0.54167 0.50000 1.0000 + Co Co500 1.0 0.04167 0.58333 0.50000 1.0000 + Co Co501 1.0 0.08333 0.62500 0.50000 1.0000 + Co Co502 1.0 0.12500 0.66667 0.50000 1.0000 + Co Co503 1.0 0.16667 0.70833 0.50000 1.0000 + Co Co504 1.0 0.20833 0.75000 0.50000 1.0000 + Co Co505 1.0 0.79167 0.25000 0.50000 1.0000 + Co Co506 1.0 0.83333 0.29167 0.50000 1.0000 + Co Co507 1.0 0.87500 0.33333 0.50000 1.0000 + Co Co508 1.0 0.91667 0.37500 0.50000 1.0000 + Co Co509 1.0 0.95833 0.41667 0.50000 1.0000 + Co Co510 1.0 1.00000 0.45833 0.50000 1.0000 + Co Co511 1.0 0.04167 0.50000 0.50000 1.0000 + Co Co512 1.0 0.08333 0.54167 0.50000 1.0000 + Co Co513 1.0 0.12500 0.58333 0.50000 1.0000 + Co Co514 1.0 0.16667 0.62500 0.50000 1.0000 + Co Co515 1.0 0.20833 0.66667 0.50000 1.0000 + Co Co516 1.0 0.25000 0.70833 0.50000 1.0000 + Co Co517 1.0 0.83333 0.20833 0.50000 1.0000 + Co Co518 1.0 0.87500 0.25000 0.50000 1.0000 + Co Co519 1.0 0.91667 0.29167 0.50000 1.0000 + Co Co520 1.0 0.95833 0.33333 0.50000 1.0000 + Co Co521 1.0 0.00000 0.37500 0.50000 1.0000 + Co Co522 1.0 0.04167 0.41667 0.50000 1.0000 + Co Co523 1.0 0.08333 0.45833 0.50000 1.0000 + Co Co524 1.0 0.12500 0.50000 0.50000 1.0000 + Co Co525 1.0 0.16667 0.54167 0.50000 1.0000 + Co Co526 1.0 0.20833 0.58333 0.50000 1.0000 + Co Co527 1.0 0.25000 0.62500 0.50000 1.0000 + Co Co528 1.0 0.29167 0.66667 0.50000 1.0000 + Co Co529 1.0 0.87500 0.16667 0.50000 1.0000 + Co Co530 1.0 0.91667 0.20833 0.50000 1.0000 + Co Co531 1.0 0.95833 0.25000 0.50000 1.0000 + Co Co532 1.0 0.00000 0.29167 0.50000 1.0000 + Co Co533 1.0 0.04167 0.33333 0.50000 1.0000 + Co Co534 1.0 0.08333 0.37500 0.50000 1.0000 + Co Co535 1.0 0.12500 0.41667 0.50000 1.0000 + Co Co536 1.0 0.16667 0.45833 0.50000 1.0000 + Co Co537 1.0 0.20833 0.50000 0.50000 1.0000 + Co Co538 1.0 0.25000 0.54167 0.50000 1.0000 + Co Co539 1.0 0.29167 0.58333 0.50000 1.0000 + Co Co540 1.0 0.33333 0.62500 0.50000 1.0000 + Co Co541 1.0 0.91667 0.12500 0.50000 1.0000 + Co Co542 1.0 0.95833 0.16667 0.50000 1.0000 + Co Co543 1.0 0.00000 0.20833 0.50000 1.0000 + Co Co544 1.0 0.04167 0.25000 0.50000 1.0000 + Co Co545 1.0 0.08333 0.29167 0.50000 1.0000 + Co Co546 1.0 0.12500 0.33333 0.50000 1.0000 + Co Co547 1.0 0.16667 0.37500 0.50000 1.0000 + Co Co548 1.0 0.20833 0.41667 0.50000 1.0000 + Co Co549 1.0 0.25000 0.45833 0.50000 1.0000 + Co Co550 1.0 0.29167 0.50000 0.50000 1.0000 + Co Co551 1.0 0.33333 0.54167 0.50000 1.0000 + Co Co552 1.0 0.37500 0.58333 0.50000 1.0000 + Co Co553 1.0 0.95833 0.08333 0.50000 1.0000 + Co Co554 1.0 1.00000 0.12500 0.50000 1.0000 + Co Co555 1.0 0.04167 0.16667 0.50000 1.0000 + Co Co556 1.0 0.08333 0.20833 0.50000 1.0000 + Co Co557 1.0 0.12500 0.25000 0.50000 1.0000 + Co Co558 1.0 0.16667 0.29167 0.50000 1.0000 + Co Co559 1.0 0.20833 0.33333 0.50000 1.0000 + Co Co560 1.0 0.25000 0.37500 0.50000 1.0000 + Co Co561 1.0 0.29167 0.41667 0.50000 1.0000 + Co Co562 1.0 0.33333 0.45833 0.50000 1.0000 + Co Co563 1.0 0.37500 0.50000 0.50000 1.0000 + Co Co564 1.0 0.41667 0.54167 0.50000 1.0000 + Co Co565 1.0 0.00000 0.04167 0.50000 1.0000 + Co Co566 1.0 0.04167 0.08333 0.50000 1.0000 + Co Co567 1.0 0.08333 0.12500 0.50000 1.0000 + Co Co568 1.0 0.12500 0.16667 0.50000 1.0000 + Co Co569 1.0 0.16667 0.20833 0.50000 1.0000 + Co Co570 1.0 0.20833 0.25000 0.50000 1.0000 + Co Co571 1.0 0.25000 0.29167 0.50000 1.0000 + Co Co572 1.0 0.29167 0.33333 0.50000 1.0000 + Co Co573 1.0 0.33333 0.37500 0.50000 1.0000 + Co Co574 1.0 0.37500 0.41667 0.50000 1.0000 + Co Co575 1.0 0.41667 0.45833 0.50000 1.0000 + Co Co576 1.0 0.45833 0.50000 0.50000 1.0000 + Co Co577 1.0 0.52083 0.47917 0.50000 1.0000 + Co Co578 1.0 0.56250 0.52083 0.50000 1.0000 + Co Co579 1.0 0.60417 0.56250 0.50000 1.0000 + Co Co580 1.0 0.64583 0.60417 0.50000 1.0000 + Co Co581 1.0 0.68750 0.64583 0.50000 1.0000 + Co Co582 1.0 0.72917 0.68750 0.50000 1.0000 + Co Co583 1.0 0.77083 0.72917 0.50000 1.0000 + Co Co584 1.0 0.81250 0.77083 0.50000 1.0000 + Co Co585 1.0 0.85417 0.81250 0.50000 1.0000 + Co Co586 1.0 0.89583 0.85417 0.50000 1.0000 + Co Co587 1.0 0.93750 0.89583 0.50000 1.0000 + Co Co588 1.0 0.97917 0.93750 0.50000 1.0000 + Co Co589 1.0 0.56250 0.43750 0.50000 1.0000 + Co Co590 1.0 0.60417 0.47917 0.50000 1.0000 + Co Co591 1.0 0.64583 0.52083 0.50000 1.0000 + Co Co592 1.0 0.68750 0.56250 0.50000 1.0000 + Co Co593 1.0 0.72917 0.60417 0.50000 1.0000 + Co Co594 1.0 0.77083 0.64583 0.50000 1.0000 + Co Co595 1.0 0.81250 0.68750 0.50000 1.0000 + Co Co596 1.0 0.85417 0.72917 0.50000 1.0000 + Co Co597 1.0 0.89583 0.77083 0.50000 1.0000 + Co Co598 1.0 0.93750 0.81250 0.50000 1.0000 + Co Co599 1.0 0.97917 0.85417 0.50000 1.0000 + Co Co600 1.0 0.02083 0.89583 0.50000 1.0000 + Co Co601 1.0 0.60417 0.39583 0.50000 1.0000 + Co Co602 1.0 0.64583 0.43750 0.50000 1.0000 + Co Co603 1.0 0.68750 0.47917 0.50000 1.0000 + Co Co604 1.0 0.72917 0.52083 0.50000 1.0000 + Co Co605 1.0 0.77083 0.56250 0.50000 1.0000 + Co Co606 1.0 0.81250 0.60417 0.50000 1.0000 + Co Co607 1.0 0.85417 0.64583 0.50000 1.0000 + Co Co608 1.0 0.89583 0.68750 0.50000 1.0000 + Co Co609 1.0 0.93750 0.72917 0.50000 1.0000 + Co Co610 1.0 0.97917 0.77083 0.50000 1.0000 + Co Co611 1.0 0.02083 0.81250 0.50000 1.0000 + Co Co612 1.0 0.06250 0.85417 0.50000 1.0000 + Co Co613 1.0 0.64583 0.35417 0.50000 1.0000 + Co Co614 1.0 0.68750 0.39583 0.50000 1.0000 + Co Co615 1.0 0.72917 0.43750 0.50000 1.0000 + Co Co616 1.0 0.77083 0.47917 0.50000 1.0000 + Co Co617 1.0 0.81250 0.52083 0.50000 1.0000 + Co Co618 1.0 0.85417 0.56250 0.50000 1.0000 + Co Co619 1.0 0.89583 0.60417 0.50000 1.0000 + Co Co620 1.0 0.93750 0.64583 0.50000 1.0000 + Co Co621 1.0 0.97917 0.68750 0.50000 1.0000 + Co Co622 1.0 0.02083 0.72917 0.50000 1.0000 + Co Co623 1.0 0.06250 0.77083 0.50000 1.0000 + Co Co624 1.0 0.10417 0.81250 0.50000 1.0000 + Co Co625 1.0 0.68750 0.31250 0.50000 1.0000 + Co Co626 1.0 0.72917 0.35417 0.50000 1.0000 + Co Co627 1.0 0.77083 0.39583 0.50000 1.0000 + Co Co628 1.0 0.81250 0.43750 0.50000 1.0000 + Co Co629 1.0 0.85417 0.47917 0.50000 1.0000 + Co Co630 1.0 0.89583 0.52083 0.50000 1.0000 + Co Co631 1.0 0.93750 0.56250 0.50000 1.0000 + Co Co632 1.0 0.97917 0.60417 0.50000 1.0000 + Co Co633 1.0 0.02083 0.64583 0.50000 1.0000 + Co Co634 1.0 0.06250 0.68750 0.50000 1.0000 + Co Co635 1.0 0.10417 0.72917 0.50000 1.0000 + Co Co636 1.0 0.14583 0.77083 0.50000 1.0000 + Co Co637 1.0 0.72917 0.27083 0.50000 1.0000 + Co Co638 1.0 0.77083 0.31250 0.50000 1.0000 + Co Co639 1.0 0.81250 0.35417 0.50000 1.0000 + Co Co640 1.0 0.85417 0.39583 0.50000 1.0000 + Co Co641 1.0 0.89583 0.43750 0.50000 1.0000 + Co Co642 1.0 0.93750 0.47917 0.50000 1.0000 + Co Co643 1.0 0.97917 0.52083 0.50000 1.0000 + Co Co644 1.0 0.02083 0.56250 0.50000 1.0000 + Co Co645 1.0 0.06250 0.60417 0.50000 1.0000 + Co Co646 1.0 0.10417 0.64583 0.50000 1.0000 + Co Co647 1.0 0.14583 0.68750 0.50000 1.0000 + Co Co648 1.0 0.18750 0.72917 0.50000 1.0000 + Co Co649 1.0 0.77083 0.22917 0.50000 1.0000 + Co Co650 1.0 0.81250 0.27083 0.50000 1.0000 + Co Co651 1.0 0.85417 0.31250 0.50000 1.0000 + Co Co652 1.0 0.89583 0.35417 0.50000 1.0000 + Co Co653 1.0 0.93750 0.39583 0.50000 1.0000 + Co Co654 1.0 0.97917 0.43750 0.50000 1.0000 + Co Co655 1.0 0.02083 0.47917 0.50000 1.0000 + Co Co656 1.0 0.06250 0.52083 0.50000 1.0000 + Co Co657 1.0 0.10417 0.56250 0.50000 1.0000 + Co Co658 1.0 0.14583 0.60417 0.50000 1.0000 + Co Co659 1.0 0.18750 0.64583 0.50000 1.0000 + Co Co660 1.0 0.22917 0.68750 0.50000 1.0000 + Co Co661 1.0 0.81250 0.18750 0.50000 1.0000 + Co Co662 1.0 0.85417 0.22917 0.50000 1.0000 + Co Co663 1.0 0.89583 0.27083 0.50000 1.0000 + Co Co664 1.0 0.93750 0.31250 0.50000 1.0000 + Co Co665 1.0 0.97917 0.35417 0.50000 1.0000 + Co Co666 1.0 0.02083 0.39583 0.50000 1.0000 + Co Co667 1.0 0.06250 0.43750 0.50000 1.0000 + Co Co668 1.0 0.10417 0.47917 0.50000 1.0000 + Co Co669 1.0 0.14583 0.52083 0.50000 1.0000 + Co Co670 1.0 0.18750 0.56250 0.50000 1.0000 + Co Co671 1.0 0.22917 0.60417 0.50000 1.0000 + Co Co672 1.0 0.27083 0.64583 0.50000 1.0000 + Co Co673 1.0 0.85417 0.14583 0.50000 1.0000 + Co Co674 1.0 0.89583 0.18750 0.50000 1.0000 + Co Co675 1.0 0.93750 0.22917 0.50000 1.0000 + Co Co676 1.0 0.97917 0.27083 0.50000 1.0000 + Co Co677 1.0 0.02083 0.31250 0.50000 1.0000 + Co Co678 1.0 0.06250 0.35417 0.50000 1.0000 + Co Co679 1.0 0.10417 0.39583 0.50000 1.0000 + Co Co680 1.0 0.14583 0.43750 0.50000 1.0000 + Co Co681 1.0 0.18750 0.47917 0.50000 1.0000 + Co Co682 1.0 0.22917 0.52083 0.50000 1.0000 + Co Co683 1.0 0.27083 0.56250 0.50000 1.0000 + Co Co684 1.0 0.31250 0.60417 0.50000 1.0000 + Co Co685 1.0 0.89583 0.10417 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O2168 1.0 0.84038 0.81220 0.66085 1.0000 + O O2169 1.0 0.88204 0.85387 0.66085 1.0000 + O O2170 1.0 0.92371 0.89554 0.66085 1.0000 + O O2171 1.0 0.96538 0.93720 0.66085 1.0000 + O O2172 1.0 0.00704 0.97887 0.66085 1.0000 + O O2173 1.0 0.59038 0.47887 0.66085 1.0000 + O O2174 1.0 0.63204 0.52054 0.66085 1.0000 + O O2175 1.0 0.67371 0.56220 0.66085 1.0000 + O O2176 1.0 0.71538 0.60387 0.66085 1.0000 + O O2177 1.0 0.75704 0.64554 0.66085 1.0000 + O O2178 1.0 0.79871 0.68720 0.66085 1.0000 + O O2179 1.0 0.84038 0.72887 0.66085 1.0000 + O O2180 1.0 0.88204 0.77054 0.66085 1.0000 + O O2181 1.0 0.92371 0.81220 0.66085 1.0000 + O O2182 1.0 0.96538 0.85387 0.66085 1.0000 + O O2183 1.0 0.00704 0.89554 0.66085 1.0000 + O O2184 1.0 0.04871 0.93720 0.66085 1.0000 + O O2185 1.0 0.63204 0.43720 0.66085 1.0000 + O O2186 1.0 0.67371 0.47887 0.66085 1.0000 + O O2187 1.0 0.71538 0.52054 0.66085 1.0000 + O O2188 1.0 0.75704 0.56220 0.66085 1.0000 + O O2189 1.0 0.79871 0.60387 0.66085 1.0000 + O O2190 1.0 0.84038 0.64554 0.66085 1.0000 + O O2191 1.0 0.88204 0.68720 0.66085 1.0000 + O O2192 1.0 0.92371 0.72887 0.66085 1.0000 + O O2193 1.0 0.96538 0.77054 0.66085 1.0000 + O O2194 1.0 0.00704 0.81220 0.66085 1.0000 + O O2195 1.0 0.04871 0.85387 0.66085 1.0000 + O O2196 1.0 0.09038 0.89554 0.66085 1.0000 + O O2197 1.0 0.67371 0.39554 0.66085 1.0000 + O O2198 1.0 0.71538 0.43720 0.66085 1.0000 + O O2199 1.0 0.75704 0.47887 0.66085 1.0000 + O O2200 1.0 0.79871 0.52054 0.66085 1.0000 + O O2201 1.0 0.84038 0.56220 0.66085 1.0000 + O O2202 1.0 0.88204 0.60387 0.66085 1.0000 + O O2203 1.0 0.92371 0.64554 0.66085 1.0000 + O O2204 1.0 0.96538 0.68720 0.66085 1.0000 + O O2205 1.0 0.00704 0.72887 0.66085 1.0000 + O O2206 1.0 0.04871 0.77054 0.66085 1.0000 + O O2207 1.0 0.09038 0.81220 0.66085 1.0000 + O O2208 1.0 0.13204 0.85387 0.66085 1.0000 + O O2209 1.0 0.71538 0.35387 0.66085 1.0000 + O O2210 1.0 0.75704 0.39554 0.66085 1.0000 + O O2211 1.0 0.79871 0.43720 0.66085 1.0000 + O O2212 1.0 0.84038 0.47887 0.66085 1.0000 + O O2213 1.0 0.88204 0.52054 0.66085 1.0000 + O O2214 1.0 0.92371 0.56220 0.66085 1.0000 + O O2215 1.0 0.96538 0.60387 0.66085 1.0000 + O O2216 1.0 0.00704 0.64554 0.66085 1.0000 + O O2217 1.0 0.04871 0.68720 0.66085 1.0000 + O O2218 1.0 0.09038 0.72887 0.66085 1.0000 + O O2219 1.0 0.13204 0.77054 0.66085 1.0000 + O O2220 1.0 0.17371 0.81220 0.66085 1.0000 + O O2221 1.0 0.75704 0.31220 0.66085 1.0000 + O O2222 1.0 0.79871 0.35387 0.66085 1.0000 + O O2223 1.0 0.84038 0.39554 0.66085 1.0000 + O O2224 1.0 0.88204 0.43720 0.66085 1.0000 + O O2225 1.0 0.92371 0.47887 0.66085 1.0000 + O O2226 1.0 0.96538 0.52054 0.66085 1.0000 + O O2227 1.0 0.00704 0.56220 0.66085 1.0000 + O O2228 1.0 0.04871 0.60387 0.66085 1.0000 + O O2229 1.0 0.09038 0.64554 0.66085 1.0000 + O O2230 1.0 0.13204 0.68720 0.66085 1.0000 + O O2231 1.0 0.17371 0.72887 0.66085 1.0000 + O O2232 1.0 0.21538 0.77054 0.66085 1.0000 + O O2233 1.0 0.79871 0.27054 0.66085 1.0000 + O O2234 1.0 0.84038 0.31220 0.66085 1.0000 + O O2235 1.0 0.88204 0.35387 0.66085 1.0000 + O O2236 1.0 0.92371 0.39554 0.66085 1.0000 + O O2237 1.0 0.96538 0.43720 0.66085 1.0000 + O O2238 1.0 0.00704 0.47887 0.66085 1.0000 + O O2239 1.0 0.04871 0.52054 0.66085 1.0000 + O O2240 1.0 0.09038 0.56220 0.66085 1.0000 + O O2241 1.0 0.13204 0.60387 0.66085 1.0000 + O O2242 1.0 0.17371 0.64554 0.66085 1.0000 + O O2243 1.0 0.21538 0.68720 0.66085 1.0000 + O O2244 1.0 0.25704 0.72887 0.66085 1.0000 + O O2245 1.0 0.84038 0.22887 0.66085 1.0000 + O O2246 1.0 0.88204 0.27054 0.66085 1.0000 + O O2247 1.0 0.92371 0.31220 0.66085 1.0000 + O O2248 1.0 0.96538 0.35387 0.66085 1.0000 + O O2249 1.0 0.00704 0.39554 0.66085 1.0000 + O O2250 1.0 0.04871 0.43720 0.66085 1.0000 + O O2251 1.0 0.09038 0.47887 0.66085 1.0000 + O O2252 1.0 0.13204 0.52054 0.66085 1.0000 + O O2253 1.0 0.17371 0.56220 0.66085 1.0000 + O O2254 1.0 0.21538 0.60387 0.66085 1.0000 + O O2255 1.0 0.25704 0.64554 0.66085 1.0000 + O O2256 1.0 0.29871 0.68720 0.66085 1.0000 + O O2257 1.0 0.88204 0.18720 0.66085 1.0000 + O O2258 1.0 0.92371 0.22887 0.66085 1.0000 + O O2259 1.0 0.96538 0.27054 0.66085 1.0000 + O O2260 1.0 0.00704 0.31220 0.66085 1.0000 + O O2261 1.0 0.04871 0.35387 0.66085 1.0000 + O O2262 1.0 0.09038 0.39554 0.66085 1.0000 + O O2263 1.0 0.13204 0.43720 0.66085 1.0000 + O O2264 1.0 0.17371 0.47887 0.66085 1.0000 + O O2265 1.0 0.21538 0.52054 0.66085 1.0000 + O O2266 1.0 0.25704 0.56220 0.66085 1.0000 + O O2267 1.0 0.29871 0.60387 0.66085 1.0000 + O O2268 1.0 0.34038 0.64554 0.66085 1.0000 + O O2269 1.0 0.92371 0.14554 0.66085 1.0000 + O O2270 1.0 0.96538 0.18720 0.66085 1.0000 + O O2271 1.0 0.00704 0.22887 0.66085 1.0000 + O O2272 1.0 0.04871 0.27054 0.66085 1.0000 + O O2273 1.0 0.09038 0.31220 0.66085 1.0000 + O O2274 1.0 0.13204 0.35387 0.66085 1.0000 + O O2275 1.0 0.17371 0.39554 0.66085 1.0000 + O O2276 1.0 0.21538 0.43720 0.66085 1.0000 + O O2277 1.0 0.25704 0.47887 0.66085 1.0000 + O O2278 1.0 0.29871 0.52054 0.66085 1.0000 + O O2279 1.0 0.34038 0.56220 0.66085 1.0000 + O O2280 1.0 0.38204 0.60387 0.66085 1.0000 + O O2281 1.0 0.96538 0.10387 0.66085 1.0000 + O O2282 1.0 0.00704 0.14554 0.66085 1.0000 + O O2283 1.0 0.04871 0.18720 0.66085 1.0000 + O O2284 1.0 0.09038 0.22887 0.66085 1.0000 + O O2285 1.0 0.13204 0.27054 0.66085 1.0000 + O O2286 1.0 0.17371 0.31220 0.66085 1.0000 + O O2287 1.0 0.21538 0.35387 0.66085 1.0000 + O O2288 1.0 0.25704 0.39554 0.66085 1.0000 + O O2289 1.0 0.29871 0.43720 0.66085 1.0000 + O O2290 1.0 0.34038 0.47887 0.66085 1.0000 + O O2291 1.0 0.38204 0.52054 0.66085 1.0000 + O O2292 1.0 0.42371 0.56220 0.66085 1.0000 + O O2293 1.0 0.00704 0.06220 0.66085 1.0000 + O O2294 1.0 0.04871 0.10387 0.66085 1.0000 + O O2295 1.0 0.09038 0.14554 0.66085 1.0000 + O O2296 1.0 0.13204 0.18720 0.66085 1.0000 + O O2297 1.0 0.17371 0.22887 0.66085 1.0000 + O O2298 1.0 0.21538 0.27054 0.66085 1.0000 + O O2299 1.0 0.25704 0.31220 0.66085 1.0000 + O O2300 1.0 0.29871 0.35387 0.66085 1.0000 + O O2301 1.0 0.34038 0.39554 0.66085 1.0000 + O O2302 1.0 0.38204 0.43720 0.66085 1.0000 + O O2303 1.0 0.42371 0.47887 0.66085 1.0000 + O O2304 1.0 0.46538 0.52054 0.66085 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-3954_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-3954_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..16538dc1ce2fe5d9d5479116f278a3cde2d9d197 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-3954_supercell_12x12x1.cif @@ -0,0 +1,3481 @@ +data_image0 +_chemical_formula_structural Mn432Sb144O1152Mn432Sb144O1152 +_chemical_formula_sum "Mn864 Sb288 O2304" +_cell_length_a 124.698 +_cell_length_b 73.3629 +_cell_length_c 5.99518 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Mn Mn1 1.0 0.03474 0.03125 0.50002 1.0000 + Mn Mn2 1.0 0.07641 0.07292 0.50002 1.0000 + Mn Mn3 1.0 0.11808 0.11458 0.50002 1.0000 + Mn Mn4 1.0 0.15974 0.15625 0.50002 1.0000 + Mn Mn5 1.0 0.20141 0.19792 0.50002 1.0000 + Mn Mn6 1.0 0.24308 0.23958 0.50002 1.0000 + Mn Mn7 1.0 0.28474 0.28125 0.50002 1.0000 + Mn Mn8 1.0 0.32641 0.32292 0.50002 1.0000 + Mn Mn9 1.0 0.36808 0.36458 0.50002 1.0000 + Mn Mn10 1.0 0.40974 0.40625 0.50002 1.0000 + Mn Mn11 1.0 0.45141 0.44792 0.50002 1.0000 + Mn Mn12 1.0 0.49308 0.48958 0.50002 1.0000 + Mn Mn13 1.0 0.07641 0.98958 0.50002 1.0000 + Mn Mn14 1.0 0.11808 0.03125 0.50002 1.0000 + Mn Mn15 1.0 0.15974 0.07292 0.50002 1.0000 + Mn Mn16 1.0 0.20141 0.11458 0.50002 1.0000 + Mn Mn17 1.0 0.24308 0.15625 0.50002 1.0000 + Mn Mn18 1.0 0.28474 0.19792 0.50002 1.0000 + Mn Mn19 1.0 0.32641 0.23958 0.50002 1.0000 + Mn Mn20 1.0 0.36808 0.28125 0.50002 1.0000 + Mn Mn21 1.0 0.40974 0.32292 0.50002 1.0000 + Mn Mn22 1.0 0.45141 0.36458 0.50002 1.0000 + Mn Mn23 1.0 0.49308 0.40625 0.50002 1.0000 + Mn Mn24 1.0 0.53474 0.44792 0.50002 1.0000 + Mn Mn25 1.0 0.11808 0.94792 0.50002 1.0000 + Mn Mn26 1.0 0.15974 0.98958 0.50002 1.0000 + Mn Mn27 1.0 0.20141 0.03125 0.50002 1.0000 + Mn Mn28 1.0 0.24308 0.07292 0.50002 1.0000 + Mn Mn29 1.0 0.28474 0.11458 0.50002 1.0000 + Mn Mn30 1.0 0.32641 0.15625 0.50002 1.0000 + Mn Mn31 1.0 0.36808 0.19792 0.50002 1.0000 + Mn Mn32 1.0 0.40974 0.23958 0.50002 1.0000 + Mn Mn33 1.0 0.45141 0.28125 0.50002 1.0000 + Mn Mn34 1.0 0.49308 0.32292 0.50002 1.0000 + Mn Mn35 1.0 0.53474 0.36458 0.50002 1.0000 + Mn Mn36 1.0 0.57641 0.40625 0.50002 1.0000 + Mn Mn37 1.0 0.15974 0.90625 0.50002 1.0000 + Mn Mn38 1.0 0.20141 0.94792 0.50002 1.0000 + Mn Mn39 1.0 0.24308 0.98958 0.50002 1.0000 + Mn Mn40 1.0 0.28474 0.03125 0.50002 1.0000 + Mn Mn41 1.0 0.32641 0.07292 0.50002 1.0000 + Mn Mn42 1.0 0.36808 0.11458 0.50002 1.0000 + Mn Mn43 1.0 0.40974 0.15625 0.50002 1.0000 + Mn Mn44 1.0 0.45141 0.19792 0.50002 1.0000 + Mn Mn45 1.0 0.49308 0.23958 0.50002 1.0000 + Mn Mn46 1.0 0.53474 0.28125 0.50002 1.0000 + Mn Mn47 1.0 0.57641 0.32292 0.50002 1.0000 + Mn Mn48 1.0 0.61808 0.36458 0.50002 1.0000 + Mn Mn49 1.0 0.20141 0.86458 0.50002 1.0000 + Mn Mn50 1.0 0.24308 0.90625 0.50002 1.0000 + Mn Mn51 1.0 0.28474 0.94792 0.50002 1.0000 + Mn Mn52 1.0 0.32641 0.98958 0.50002 1.0000 + Mn Mn53 1.0 0.36808 0.03125 0.50002 1.0000 + Mn Mn54 1.0 0.40974 0.07292 0.50002 1.0000 + Mn Mn55 1.0 0.45141 0.11458 0.50002 1.0000 + Mn Mn56 1.0 0.49308 0.15625 0.50002 1.0000 + Mn Mn57 1.0 0.53474 0.19792 0.50002 1.0000 + Mn Mn58 1.0 0.57641 0.23958 0.50002 1.0000 + Mn Mn59 1.0 0.61808 0.28125 0.50002 1.0000 + Mn Mn60 1.0 0.65974 0.32292 0.50002 1.0000 + Mn Mn61 1.0 0.24308 0.82292 0.50002 1.0000 + Mn Mn62 1.0 0.28474 0.86458 0.50002 1.0000 + Mn Mn63 1.0 0.32641 0.90625 0.50002 1.0000 + Mn Mn64 1.0 0.36808 0.94792 0.50002 1.0000 + Mn Mn65 1.0 0.40974 0.98958 0.50002 1.0000 + Mn Mn66 1.0 0.45141 0.03125 0.50002 1.0000 + Mn Mn67 1.0 0.49308 0.07292 0.50002 1.0000 + Mn Mn68 1.0 0.53474 0.11458 0.50002 1.0000 + Mn Mn69 1.0 0.57641 0.15625 0.50002 1.0000 + Mn Mn70 1.0 0.61808 0.19792 0.50002 1.0000 + Mn Mn71 1.0 0.65974 0.23958 0.50002 1.0000 + Mn Mn72 1.0 0.70141 0.28125 0.50002 1.0000 + Mn Mn73 1.0 0.28474 0.78125 0.50002 1.0000 + Mn Mn74 1.0 0.32641 0.82292 0.50002 1.0000 + Mn Mn75 1.0 0.36808 0.86458 0.50002 1.0000 + Mn Mn76 1.0 0.40974 0.90625 0.50002 1.0000 + Mn Mn77 1.0 0.45141 0.94792 0.50002 1.0000 + Mn Mn78 1.0 0.49308 0.98958 0.50002 1.0000 + Mn Mn79 1.0 0.53474 0.03125 0.50002 1.0000 + Mn Mn80 1.0 0.57641 0.07292 0.50002 1.0000 + Mn Mn81 1.0 0.61808 0.11458 0.50002 1.0000 + Mn Mn82 1.0 0.65974 0.15625 0.50002 1.0000 + Mn Mn83 1.0 0.70141 0.19792 0.50002 1.0000 + Mn Mn84 1.0 0.74308 0.23958 0.50002 1.0000 + Mn Mn85 1.0 0.32641 0.73958 0.50002 1.0000 + Mn Mn86 1.0 0.36808 0.78125 0.50002 1.0000 + Mn Mn87 1.0 0.40974 0.82292 0.50002 1.0000 + Mn Mn88 1.0 0.45141 0.86458 0.50002 1.0000 + Mn Mn89 1.0 0.49308 0.90625 0.50002 1.0000 + Mn Mn90 1.0 0.53474 0.94792 0.50002 1.0000 + Mn Mn91 1.0 0.57641 0.98958 0.50002 1.0000 + Mn Mn92 1.0 0.61808 0.03125 0.50002 1.0000 + Mn Mn93 1.0 0.65974 0.07292 0.50002 1.0000 + Mn Mn94 1.0 0.70141 0.11458 0.50002 1.0000 + Mn Mn95 1.0 0.74308 0.15625 0.50002 1.0000 + Mn Mn96 1.0 0.78474 0.19792 0.50002 1.0000 + Mn Mn97 1.0 0.36808 0.69792 0.50002 1.0000 + Mn Mn98 1.0 0.40974 0.73958 0.50002 1.0000 + Mn Mn99 1.0 0.45141 0.78125 0.50002 1.0000 + Mn Mn100 1.0 0.49308 0.82292 0.50002 1.0000 + Mn Mn101 1.0 0.53474 0.86458 0.50002 1.0000 + Mn Mn102 1.0 0.57641 0.90625 0.50002 1.0000 + Mn Mn103 1.0 0.61808 0.94792 0.50002 1.0000 + Mn Mn104 1.0 0.65974 0.98958 0.50002 1.0000 + Mn Mn105 1.0 0.70141 0.03125 0.50002 1.0000 + Mn Mn106 1.0 0.74308 0.07292 0.50002 1.0000 + Mn Mn107 1.0 0.78474 0.11458 0.50002 1.0000 + Mn Mn108 1.0 0.82641 0.15625 0.50002 1.0000 + Mn Mn109 1.0 0.40974 0.65625 0.50002 1.0000 + Mn Mn110 1.0 0.45141 0.69792 0.50002 1.0000 + Mn Mn111 1.0 0.49308 0.73958 0.50002 1.0000 + Mn Mn112 1.0 0.53474 0.78125 0.50002 1.0000 + Mn Mn113 1.0 0.57641 0.82292 0.50002 1.0000 + Mn Mn114 1.0 0.61808 0.86458 0.50002 1.0000 + Mn Mn115 1.0 0.65974 0.90625 0.50002 1.0000 + Mn Mn116 1.0 0.70141 0.94792 0.50002 1.0000 + Mn Mn117 1.0 0.74308 0.98958 0.50002 1.0000 + Mn Mn118 1.0 0.78474 0.03125 0.50002 1.0000 + Mn Mn119 1.0 0.82641 0.07292 0.50002 1.0000 + Mn Mn120 1.0 0.86808 0.11458 0.50002 1.0000 + Mn Mn121 1.0 0.45141 0.61458 0.50002 1.0000 + Mn Mn122 1.0 0.49308 0.65625 0.50002 1.0000 + Mn Mn123 1.0 0.53474 0.69792 0.50002 1.0000 + Mn Mn124 1.0 0.57641 0.73958 0.50002 1.0000 + Mn Mn125 1.0 0.61808 0.78125 0.50002 1.0000 + Mn Mn126 1.0 0.65974 0.82292 0.50002 1.0000 + Mn Mn127 1.0 0.70141 0.86458 0.50002 1.0000 + Mn Mn128 1.0 0.74308 0.90625 0.50002 1.0000 + Mn Mn129 1.0 0.78474 0.94792 0.50002 1.0000 + Mn Mn130 1.0 0.82641 0.98958 0.50002 1.0000 + Mn Mn131 1.0 0.86808 0.03125 0.50002 1.0000 + Mn Mn132 1.0 0.90974 0.07292 0.50002 1.0000 + Mn Mn133 1.0 0.49308 0.57292 0.50002 1.0000 + Mn Mn134 1.0 0.53474 0.61458 0.50002 1.0000 + Mn Mn135 1.0 0.57641 0.65625 0.50002 1.0000 + Mn Mn136 1.0 0.61808 0.69792 0.50002 1.0000 + Mn Mn137 1.0 0.65974 0.73958 0.50002 1.0000 + Mn Mn138 1.0 0.70141 0.78125 0.50002 1.0000 + Mn Mn139 1.0 0.74308 0.82292 0.50002 1.0000 + Mn Mn140 1.0 0.78474 0.86458 0.50002 1.0000 + Mn Mn141 1.0 0.82641 0.90625 0.50002 1.0000 + Mn Mn142 1.0 0.86808 0.94792 0.50002 1.0000 + Mn Mn143 1.0 0.90974 0.98958 0.50002 1.0000 + Mn Mn144 1.0 0.95141 0.03125 0.50002 1.0000 + Mn Mn145 1.0 0.03475 0.98958 0.49998 1.0000 + Mn Mn146 1.0 0.07641 0.03125 0.49998 1.0000 + Mn Mn147 1.0 0.11808 0.07292 0.49998 1.0000 + Mn Mn148 1.0 0.15975 0.11458 0.49998 1.0000 + Mn Mn149 1.0 0.20141 0.15625 0.49998 1.0000 + Mn Mn150 1.0 0.24308 0.19792 0.49998 1.0000 + Mn Mn151 1.0 0.28475 0.23958 0.49998 1.0000 + Mn Mn152 1.0 0.32641 0.28125 0.49998 1.0000 + Mn Mn153 1.0 0.36808 0.32292 0.49998 1.0000 + Mn Mn154 1.0 0.40975 0.36458 0.49998 1.0000 + Mn Mn155 1.0 0.45141 0.40625 0.49998 1.0000 + Mn Mn156 1.0 0.49308 0.44792 0.49998 1.0000 + Mn Mn157 1.0 0.07641 0.94792 0.49998 1.0000 + Mn Mn158 1.0 0.11808 0.98958 0.49998 1.0000 + Mn Mn159 1.0 0.15975 0.03125 0.49998 1.0000 + Mn Mn160 1.0 0.20141 0.07292 0.49998 1.0000 + Mn Mn161 1.0 0.24308 0.11458 0.49998 1.0000 + Mn Mn162 1.0 0.28475 0.15625 0.49998 1.0000 + Mn Mn163 1.0 0.32641 0.19792 0.49998 1.0000 + Mn Mn164 1.0 0.36808 0.23958 0.49998 1.0000 + Mn Mn165 1.0 0.40975 0.28125 0.49998 1.0000 + Mn Mn166 1.0 0.45141 0.32292 0.49998 1.0000 + Mn Mn167 1.0 0.49308 0.36458 0.49998 1.0000 + Mn Mn168 1.0 0.53475 0.40625 0.49998 1.0000 + Mn Mn169 1.0 0.11808 0.90625 0.49998 1.0000 + Mn Mn170 1.0 0.15975 0.94792 0.49998 1.0000 + Mn Mn171 1.0 0.20141 0.98958 0.49998 1.0000 + Mn Mn172 1.0 0.24308 0.03125 0.49998 1.0000 + Mn Mn173 1.0 0.28475 0.07292 0.49998 1.0000 + Mn Mn174 1.0 0.32641 0.11458 0.49998 1.0000 + Mn Mn175 1.0 0.36808 0.15625 0.49998 1.0000 + Mn Mn176 1.0 0.40975 0.19792 0.49998 1.0000 + Mn Mn177 1.0 0.45141 0.23958 0.49998 1.0000 + Mn Mn178 1.0 0.49308 0.28125 0.49998 1.0000 + Mn Mn179 1.0 0.53475 0.32292 0.49998 1.0000 + Mn Mn180 1.0 0.57641 0.36458 0.49998 1.0000 + Mn Mn181 1.0 0.15975 0.86458 0.49998 1.0000 + Mn Mn182 1.0 0.20141 0.90625 0.49998 1.0000 + Mn Mn183 1.0 0.24308 0.94792 0.49998 1.0000 + Mn Mn184 1.0 0.28475 0.98958 0.49998 1.0000 + Mn Mn185 1.0 0.32641 0.03125 0.49998 1.0000 + Mn Mn186 1.0 0.36808 0.07292 0.49998 1.0000 + Mn Mn187 1.0 0.40975 0.11458 0.49998 1.0000 + Mn Mn188 1.0 0.45141 0.15625 0.49998 1.0000 + Mn Mn189 1.0 0.49308 0.19792 0.49998 1.0000 + Mn Mn190 1.0 0.53475 0.23958 0.49998 1.0000 + Mn Mn191 1.0 0.57641 0.28125 0.49998 1.0000 + Mn Mn192 1.0 0.61808 0.32292 0.49998 1.0000 + Mn Mn193 1.0 0.20141 0.82292 0.49998 1.0000 + Mn Mn194 1.0 0.24308 0.86458 0.49998 1.0000 + Mn Mn195 1.0 0.28475 0.90625 0.49998 1.0000 + Mn Mn196 1.0 0.32641 0.94792 0.49998 1.0000 + Mn Mn197 1.0 0.36808 0.98958 0.49998 1.0000 + Mn Mn198 1.0 0.40975 0.03125 0.49998 1.0000 + Mn Mn199 1.0 0.45141 0.07292 0.49998 1.0000 + Mn Mn200 1.0 0.49308 0.11458 0.49998 1.0000 + Mn Mn201 1.0 0.53475 0.15625 0.49998 1.0000 + Mn Mn202 1.0 0.57641 0.19792 0.49998 1.0000 + Mn Mn203 1.0 0.61808 0.23958 0.49998 1.0000 + Mn Mn204 1.0 0.65975 0.28125 0.49998 1.0000 + Mn Mn205 1.0 0.24308 0.78125 0.49998 1.0000 + Mn Mn206 1.0 0.28475 0.82292 0.49998 1.0000 + Mn Mn207 1.0 0.32641 0.86458 0.49998 1.0000 + Mn Mn208 1.0 0.36808 0.90625 0.49998 1.0000 + Mn Mn209 1.0 0.40975 0.94792 0.49998 1.0000 + Mn Mn210 1.0 0.45141 0.98958 0.49998 1.0000 + Mn Mn211 1.0 0.49308 0.03125 0.49998 1.0000 + Mn Mn212 1.0 0.53475 0.07292 0.49998 1.0000 + Mn Mn213 1.0 0.57641 0.11458 0.49998 1.0000 + Mn Mn214 1.0 0.61808 0.15625 0.49998 1.0000 + Mn Mn215 1.0 0.65975 0.19792 0.49998 1.0000 + Mn Mn216 1.0 0.70141 0.23958 0.49998 1.0000 + Mn Mn217 1.0 0.28475 0.73958 0.49998 1.0000 + Mn Mn218 1.0 0.32641 0.78125 0.49998 1.0000 + Mn Mn219 1.0 0.36808 0.82292 0.49998 1.0000 + Mn Mn220 1.0 0.40975 0.86458 0.49998 1.0000 + Mn Mn221 1.0 0.45141 0.90625 0.49998 1.0000 + Mn Mn222 1.0 0.49308 0.94792 0.49998 1.0000 + Mn Mn223 1.0 0.53475 0.98958 0.49998 1.0000 + Mn Mn224 1.0 0.57641 0.03125 0.49998 1.0000 + Mn Mn225 1.0 0.61808 0.07292 0.49998 1.0000 + Mn Mn226 1.0 0.65975 0.11458 0.49998 1.0000 + Mn Mn227 1.0 0.70141 0.15625 0.49998 1.0000 + Mn Mn228 1.0 0.74308 0.19792 0.49998 1.0000 + Mn Mn229 1.0 0.32641 0.69792 0.49998 1.0000 + Mn Mn230 1.0 0.36808 0.73958 0.49998 1.0000 + Mn Mn231 1.0 0.40975 0.78125 0.49998 1.0000 + Mn Mn232 1.0 0.45141 0.82292 0.49998 1.0000 + Mn Mn233 1.0 0.49308 0.86458 0.49998 1.0000 + Mn Mn234 1.0 0.53475 0.90625 0.49998 1.0000 + Mn Mn235 1.0 0.57641 0.94792 0.49998 1.0000 + Mn Mn236 1.0 0.61808 0.98958 0.49998 1.0000 + Mn Mn237 1.0 0.65975 0.03125 0.49998 1.0000 + Mn Mn238 1.0 0.70141 0.07292 0.49998 1.0000 + Mn Mn239 1.0 0.74308 0.11458 0.49998 1.0000 + Mn Mn240 1.0 0.78475 0.15625 0.49998 1.0000 + Mn Mn241 1.0 0.36808 0.65625 0.49998 1.0000 + Mn Mn242 1.0 0.40975 0.69792 0.49998 1.0000 + Mn Mn243 1.0 0.45141 0.73958 0.49998 1.0000 + Mn Mn244 1.0 0.49308 0.78125 0.49998 1.0000 + Mn Mn245 1.0 0.53475 0.82292 0.49998 1.0000 + Mn Mn246 1.0 0.57641 0.86458 0.49998 1.0000 + Mn Mn247 1.0 0.61808 0.90625 0.49998 1.0000 + Mn Mn248 1.0 0.65975 0.94792 0.49998 1.0000 + Mn Mn249 1.0 0.70141 0.98958 0.49998 1.0000 + Mn Mn250 1.0 0.74308 0.03125 0.49998 1.0000 + Mn Mn251 1.0 0.78475 0.07292 0.49998 1.0000 + Mn Mn252 1.0 0.82641 0.11458 0.49998 1.0000 + Mn Mn253 1.0 0.40975 0.61458 0.49998 1.0000 + Mn Mn254 1.0 0.45141 0.65625 0.49998 1.0000 + Mn Mn255 1.0 0.49308 0.69792 0.49998 1.0000 + Mn Mn256 1.0 0.53475 0.73958 0.49998 1.0000 + Mn Mn257 1.0 0.57641 0.78125 0.49998 1.0000 + Mn Mn258 1.0 0.61808 0.82292 0.49998 1.0000 + Mn Mn259 1.0 0.65975 0.86458 0.49998 1.0000 + Mn Mn260 1.0 0.70141 0.90625 0.49998 1.0000 + Mn Mn261 1.0 0.74308 0.94792 0.49998 1.0000 + Mn Mn262 1.0 0.78475 0.98958 0.49998 1.0000 + Mn Mn263 1.0 0.82641 0.03125 0.49998 1.0000 + Mn Mn264 1.0 0.86808 0.07292 0.49998 1.0000 + Mn Mn265 1.0 0.45141 0.57292 0.49998 1.0000 + Mn Mn266 1.0 0.49308 0.61458 0.49998 1.0000 + Mn Mn267 1.0 0.53475 0.65625 0.49998 1.0000 + Mn Mn268 1.0 0.57641 0.69792 0.49998 1.0000 + Mn Mn269 1.0 0.61808 0.73958 0.49998 1.0000 + Mn Mn270 1.0 0.65975 0.78125 0.49998 1.0000 + Mn Mn271 1.0 0.70141 0.82292 0.49998 1.0000 + Mn Mn272 1.0 0.74308 0.86458 0.49998 1.0000 + Mn Mn273 1.0 0.78475 0.90625 0.49998 1.0000 + Mn Mn274 1.0 0.82641 0.94792 0.49998 1.0000 + Mn Mn275 1.0 0.86808 0.98958 0.49998 1.0000 + Mn Mn276 1.0 0.90975 0.03125 0.49998 1.0000 + Mn Mn277 1.0 0.49308 0.53125 0.49998 1.0000 + Mn Mn278 1.0 0.53475 0.57292 0.49998 1.0000 + Mn Mn279 1.0 0.57641 0.61458 0.49998 1.0000 + Mn Mn280 1.0 0.61808 0.65625 0.49998 1.0000 + Mn Mn281 1.0 0.65975 0.69792 0.49998 1.0000 + Mn Mn282 1.0 0.70141 0.73958 0.49998 1.0000 + Mn Mn283 1.0 0.74308 0.78125 0.49998 1.0000 + Mn Mn284 1.0 0.78475 0.82292 0.49998 1.0000 + Mn Mn285 1.0 0.82641 0.86458 0.49998 1.0000 + Mn Mn286 1.0 0.86808 0.90625 0.49998 1.0000 + Mn Mn287 1.0 0.90975 0.94792 0.49998 1.0000 + Mn Mn288 1.0 0.95141 0.98958 0.49998 1.0000 + Mn Mn289 1.0 0.01391 0.01042 0.50000 1.0000 + Mn Mn290 1.0 0.05558 0.05209 0.50000 1.0000 + Mn Mn291 1.0 0.09724 0.09375 0.50000 1.0000 + Mn Mn292 1.0 0.13891 0.13542 0.50000 1.0000 + Mn Mn293 1.0 0.18058 0.17709 0.50000 1.0000 + Mn Mn294 1.0 0.22224 0.21875 0.50000 1.0000 + Mn Mn295 1.0 0.26391 0.26042 0.50000 1.0000 + Mn Mn296 1.0 0.30558 0.30209 0.50000 1.0000 + Mn Mn297 1.0 0.34724 0.34375 0.50000 1.0000 + Mn Mn298 1.0 0.38891 0.38542 0.50000 1.0000 + Mn Mn299 1.0 0.43058 0.42709 0.50000 1.0000 + Mn Mn300 1.0 0.47224 0.46875 0.50000 1.0000 + Mn Mn301 1.0 0.05558 0.96875 0.50000 1.0000 + Mn Mn302 1.0 0.09724 0.01042 0.50000 1.0000 + Mn Mn303 1.0 0.13891 0.05209 0.50000 1.0000 + Mn Mn304 1.0 0.18058 0.09375 0.50000 1.0000 + Mn Mn305 1.0 0.22224 0.13542 0.50000 1.0000 + Mn Mn306 1.0 0.26391 0.17709 0.50000 1.0000 + Mn Mn307 1.0 0.30558 0.21875 0.50000 1.0000 + Mn Mn308 1.0 0.34724 0.26042 0.50000 1.0000 + Mn Mn309 1.0 0.38891 0.30209 0.50000 1.0000 + Mn Mn310 1.0 0.43058 0.34375 0.50000 1.0000 + Mn Mn311 1.0 0.47224 0.38542 0.50000 1.0000 + Mn Mn312 1.0 0.51391 0.42709 0.50000 1.0000 + Mn Mn313 1.0 0.09724 0.92709 0.50000 1.0000 + Mn Mn314 1.0 0.13891 0.96875 0.50000 1.0000 + Mn Mn315 1.0 0.18058 0.01042 0.50000 1.0000 + Mn Mn316 1.0 0.22224 0.05209 0.50000 1.0000 + Mn Mn317 1.0 0.26391 0.09375 0.50000 1.0000 + Mn Mn318 1.0 0.30558 0.13542 0.50000 1.0000 + Mn Mn319 1.0 0.34724 0.17709 0.50000 1.0000 + Mn Mn320 1.0 0.38891 0.21875 0.50000 1.0000 + Mn Mn321 1.0 0.43058 0.26042 0.50000 1.0000 + Mn Mn322 1.0 0.47224 0.30209 0.50000 1.0000 + Mn Mn323 1.0 0.51391 0.34375 0.50000 1.0000 + Mn Mn324 1.0 0.55558 0.38542 0.50000 1.0000 + Mn Mn325 1.0 0.13891 0.88542 0.50000 1.0000 + Mn Mn326 1.0 0.18058 0.92709 0.50000 1.0000 + Mn Mn327 1.0 0.22224 0.96875 0.50000 1.0000 + Mn Mn328 1.0 0.26391 0.01042 0.50000 1.0000 + Mn Mn329 1.0 0.30558 0.05209 0.50000 1.0000 + Mn Mn330 1.0 0.34724 0.09375 0.50000 1.0000 + Mn Mn331 1.0 0.38891 0.13542 0.50000 1.0000 + Mn Mn332 1.0 0.43058 0.17709 0.50000 1.0000 + Mn Mn333 1.0 0.47224 0.21875 0.50000 1.0000 + Mn Mn334 1.0 0.51391 0.26042 0.50000 1.0000 + Mn Mn335 1.0 0.55558 0.30209 0.50000 1.0000 + Mn Mn336 1.0 0.59724 0.34375 0.50000 1.0000 + Mn Mn337 1.0 0.18058 0.84375 0.50000 1.0000 + Mn Mn338 1.0 0.22224 0.88542 0.50000 1.0000 + Mn Mn339 1.0 0.26391 0.92709 0.50000 1.0000 + Mn Mn340 1.0 0.30558 0.96875 0.50000 1.0000 + Mn Mn341 1.0 0.34724 0.01042 0.50000 1.0000 + Mn Mn342 1.0 0.38891 0.05209 0.50000 1.0000 + Mn Mn343 1.0 0.43058 0.09375 0.50000 1.0000 + Mn Mn344 1.0 0.47224 0.13542 0.50000 1.0000 + Mn Mn345 1.0 0.51391 0.17709 0.50000 1.0000 + Mn Mn346 1.0 0.55558 0.21875 0.50000 1.0000 + Mn Mn347 1.0 0.59724 0.26042 0.50000 1.0000 + Mn Mn348 1.0 0.63891 0.30209 0.50000 1.0000 + Mn Mn349 1.0 0.22224 0.80209 0.50000 1.0000 + Mn Mn350 1.0 0.26391 0.84375 0.50000 1.0000 + Mn Mn351 1.0 0.30558 0.88542 0.50000 1.0000 + Mn Mn352 1.0 0.34724 0.92709 0.50000 1.0000 + Mn Mn353 1.0 0.38891 0.96875 0.50000 1.0000 + Mn Mn354 1.0 0.43058 0.01042 0.50000 1.0000 + Mn Mn355 1.0 0.47224 0.05209 0.50000 1.0000 + Mn Mn356 1.0 0.51391 0.09375 0.50000 1.0000 + Mn Mn357 1.0 0.55558 0.13542 0.50000 1.0000 + Mn Mn358 1.0 0.59724 0.17709 0.50000 1.0000 + Mn Mn359 1.0 0.63891 0.21875 0.50000 1.0000 + Mn Mn360 1.0 0.68058 0.26042 0.50000 1.0000 + Mn Mn361 1.0 0.26391 0.76042 0.50000 1.0000 + Mn Mn362 1.0 0.30558 0.80209 0.50000 1.0000 + Mn Mn363 1.0 0.34724 0.84375 0.50000 1.0000 + Mn Mn364 1.0 0.38891 0.88542 0.50000 1.0000 + Mn Mn365 1.0 0.43058 0.92709 0.50000 1.0000 + Mn Mn366 1.0 0.47224 0.96875 0.50000 1.0000 + Mn Mn367 1.0 0.51391 0.01042 0.50000 1.0000 + Mn Mn368 1.0 0.55558 0.05209 0.50000 1.0000 + Mn Mn369 1.0 0.59724 0.09375 0.50000 1.0000 + Mn Mn370 1.0 0.63891 0.13542 0.50000 1.0000 + Mn Mn371 1.0 0.68058 0.17709 0.50000 1.0000 + Mn Mn372 1.0 0.72224 0.21875 0.50000 1.0000 + Mn Mn373 1.0 0.30558 0.71875 0.50000 1.0000 + Mn Mn374 1.0 0.34724 0.76042 0.50000 1.0000 + Mn Mn375 1.0 0.38891 0.80209 0.50000 1.0000 + Mn Mn376 1.0 0.43058 0.84375 0.50000 1.0000 + Mn Mn377 1.0 0.47224 0.88542 0.50000 1.0000 + Mn Mn378 1.0 0.51391 0.92709 0.50000 1.0000 + Mn Mn379 1.0 0.55558 0.96875 0.50000 1.0000 + Mn Mn380 1.0 0.59724 0.01042 0.50000 1.0000 + Mn Mn381 1.0 0.63891 0.05209 0.50000 1.0000 + Mn Mn382 1.0 0.68058 0.09375 0.50000 1.0000 + Mn Mn383 1.0 0.72224 0.13542 0.50000 1.0000 + Mn Mn384 1.0 0.76391 0.17709 0.50000 1.0000 + Mn Mn385 1.0 0.34724 0.67709 0.50000 1.0000 + Mn Mn386 1.0 0.38891 0.71875 0.50000 1.0000 + Mn Mn387 1.0 0.43058 0.76042 0.50000 1.0000 + Mn Mn388 1.0 0.47224 0.80209 0.50000 1.0000 + Mn Mn389 1.0 0.51391 0.84375 0.50000 1.0000 + Mn Mn390 1.0 0.55558 0.88542 0.50000 1.0000 + Mn Mn391 1.0 0.59724 0.92709 0.50000 1.0000 + Mn Mn392 1.0 0.63891 0.96875 0.50000 1.0000 + Mn Mn393 1.0 0.68058 0.01042 0.50000 1.0000 + Mn Mn394 1.0 0.72224 0.05209 0.50000 1.0000 + Mn Mn395 1.0 0.76391 0.09375 0.50000 1.0000 + Mn Mn396 1.0 0.80558 0.13542 0.50000 1.0000 + Mn Mn397 1.0 0.38891 0.63542 0.50000 1.0000 + Mn Mn398 1.0 0.43058 0.67709 0.50000 1.0000 + Mn Mn399 1.0 0.47224 0.71875 0.50000 1.0000 + Mn Mn400 1.0 0.51391 0.76042 0.50000 1.0000 + Mn Mn401 1.0 0.55558 0.80209 0.50000 1.0000 + Mn Mn402 1.0 0.59724 0.84375 0.50000 1.0000 + Mn Mn403 1.0 0.63891 0.88542 0.50000 1.0000 + Mn Mn404 1.0 0.68058 0.92709 0.50000 1.0000 + Mn Mn405 1.0 0.72224 0.96875 0.50000 1.0000 + Mn Mn406 1.0 0.76391 0.01042 0.50000 1.0000 + Mn Mn407 1.0 0.80558 0.05209 0.50000 1.0000 + Mn Mn408 1.0 0.84724 0.09375 0.50000 1.0000 + Mn Mn409 1.0 0.43058 0.59375 0.50000 1.0000 + Mn Mn410 1.0 0.47224 0.63542 0.50000 1.0000 + Mn Mn411 1.0 0.51391 0.67709 0.50000 1.0000 + Mn Mn412 1.0 0.55558 0.71875 0.50000 1.0000 + Mn Mn413 1.0 0.59724 0.76042 0.50000 1.0000 + Mn Mn414 1.0 0.63891 0.80209 0.50000 1.0000 + Mn Mn415 1.0 0.68058 0.84375 0.50000 1.0000 + Mn Mn416 1.0 0.72224 0.88542 0.50000 1.0000 + Mn Mn417 1.0 0.76391 0.92709 0.50000 1.0000 + Mn Mn418 1.0 0.80558 0.96875 0.50000 1.0000 + Mn Mn419 1.0 0.84724 0.01042 0.50000 1.0000 + Mn Mn420 1.0 0.88891 0.05209 0.50000 1.0000 + Mn Mn421 1.0 0.47224 0.55209 0.50000 1.0000 + Mn Mn422 1.0 0.51391 0.59375 0.50000 1.0000 + Mn Mn423 1.0 0.55558 0.63542 0.50000 1.0000 + Mn Mn424 1.0 0.59724 0.67709 0.50000 1.0000 + Mn Mn425 1.0 0.63891 0.71875 0.50000 1.0000 + Mn Mn426 1.0 0.68058 0.76042 0.50000 1.0000 + Mn Mn427 1.0 0.72224 0.80209 0.50000 1.0000 + Mn Mn428 1.0 0.76391 0.84375 0.50000 1.0000 + Mn Mn429 1.0 0.80558 0.88542 0.50000 1.0000 + Mn Mn430 1.0 0.84724 0.92709 0.50000 1.0000 + Mn Mn431 1.0 0.88891 0.96875 0.50000 1.0000 + Mn Mn432 1.0 0.93058 0.01042 0.50000 1.0000 + Sb Sb1 1.0 0.05558 0.01041 0.50000 1.0000 + Sb Sb2 1.0 0.09724 0.05207 0.50000 1.0000 + Sb Sb3 1.0 0.13891 0.09374 0.50000 1.0000 + Sb Sb4 1.0 0.18058 0.13541 0.50000 1.0000 + Sb Sb5 1.0 0.22224 0.17707 0.50000 1.0000 + Sb Sb6 1.0 0.26391 0.21874 0.50000 1.0000 + Sb Sb7 1.0 0.30558 0.26041 0.50000 1.0000 + Sb Sb8 1.0 0.34724 0.30207 0.50000 1.0000 + Sb Sb9 1.0 0.38891 0.34374 0.50000 1.0000 + Sb Sb10 1.0 0.43058 0.38541 0.50000 1.0000 + Sb Sb11 1.0 0.47224 0.42707 0.50000 1.0000 + Sb Sb12 1.0 0.51391 0.46874 0.50000 1.0000 + Sb Sb13 1.0 0.09724 0.96874 0.50000 1.0000 + Sb Sb14 1.0 0.13891 0.01041 0.50000 1.0000 + Sb Sb15 1.0 0.18058 0.05207 0.50000 1.0000 + Sb Sb16 1.0 0.22224 0.09374 0.50000 1.0000 + Sb Sb17 1.0 0.26391 0.13541 0.50000 1.0000 + Sb Sb18 1.0 0.30558 0.17707 0.50000 1.0000 + Sb Sb19 1.0 0.34724 0.21874 0.50000 1.0000 + Sb Sb20 1.0 0.38891 0.26041 0.50000 1.0000 + Sb Sb21 1.0 0.43058 0.30207 0.50000 1.0000 + Sb Sb22 1.0 0.47224 0.34374 0.50000 1.0000 + Sb Sb23 1.0 0.51391 0.38541 0.50000 1.0000 + Sb Sb24 1.0 0.55558 0.42707 0.50000 1.0000 + Sb Sb25 1.0 0.13891 0.92707 0.50000 1.0000 + Sb Sb26 1.0 0.18058 0.96874 0.50000 1.0000 + Sb Sb27 1.0 0.22224 0.01041 0.50000 1.0000 + Sb Sb28 1.0 0.26391 0.05207 0.50000 1.0000 + Sb Sb29 1.0 0.30558 0.09374 0.50000 1.0000 + Sb Sb30 1.0 0.34724 0.13541 0.50000 1.0000 + Sb Sb31 1.0 0.38891 0.17707 0.50000 1.0000 + Sb Sb32 1.0 0.43058 0.21874 0.50000 1.0000 + Sb Sb33 1.0 0.47224 0.26041 0.50000 1.0000 + Sb Sb34 1.0 0.51391 0.30207 0.50000 1.0000 + Sb Sb35 1.0 0.55558 0.34374 0.50000 1.0000 + Sb Sb36 1.0 0.59724 0.38541 0.50000 1.0000 + Sb Sb37 1.0 0.18058 0.88541 0.50000 1.0000 + Sb Sb38 1.0 0.22224 0.92707 0.50000 1.0000 + Sb Sb39 1.0 0.26391 0.96874 0.50000 1.0000 + Sb Sb40 1.0 0.30558 0.01041 0.50000 1.0000 + Sb Sb41 1.0 0.34724 0.05207 0.50000 1.0000 + Sb Sb42 1.0 0.38891 0.09374 0.50000 1.0000 + Sb Sb43 1.0 0.43058 0.13541 0.50000 1.0000 + Sb Sb44 1.0 0.47224 0.17707 0.50000 1.0000 + Sb Sb45 1.0 0.51391 0.21874 0.50000 1.0000 + Sb Sb46 1.0 0.55558 0.26041 0.50000 1.0000 + Sb Sb47 1.0 0.59724 0.30207 0.50000 1.0000 + Sb Sb48 1.0 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0.74949 0.80208 0.66640 1.0000 + O O1148 1.0 0.79115 0.84375 0.66640 1.0000 + O O1149 1.0 0.83282 0.88542 0.66640 1.0000 + O O1150 1.0 0.87449 0.92708 0.66640 1.0000 + O O1151 1.0 0.91615 0.96875 0.66640 1.0000 + O O1152 1.0 0.95782 0.01042 0.66640 1.0000 + Mn Mn433 1.0 0.53474 0.53125 0.50002 1.0000 + Mn Mn434 1.0 0.57641 0.57292 0.50002 1.0000 + Mn Mn435 1.0 0.61808 0.61458 0.50002 1.0000 + Mn Mn436 1.0 0.65974 0.65625 0.50002 1.0000 + Mn Mn437 1.0 0.70141 0.69792 0.50002 1.0000 + Mn Mn438 1.0 0.74308 0.73958 0.50002 1.0000 + Mn Mn439 1.0 0.78474 0.78125 0.50002 1.0000 + Mn Mn440 1.0 0.82641 0.82292 0.50002 1.0000 + Mn Mn441 1.0 0.86808 0.86458 0.50002 1.0000 + Mn Mn442 1.0 0.90974 0.90625 0.50002 1.0000 + Mn Mn443 1.0 0.95141 0.94792 0.50002 1.0000 + Mn Mn444 1.0 0.99308 0.98958 0.50002 1.0000 + Mn Mn445 1.0 0.57641 0.48958 0.50002 1.0000 + Mn Mn446 1.0 0.61808 0.53125 0.50002 1.0000 + Mn Mn447 1.0 0.65974 0.57292 0.50002 1.0000 + Mn Mn448 1.0 0.70141 0.61458 0.50002 1.0000 + Mn Mn449 1.0 0.74308 0.65625 0.50002 1.0000 + Mn Mn450 1.0 0.78474 0.69792 0.50002 1.0000 + Mn Mn451 1.0 0.82641 0.73958 0.50002 1.0000 + Mn Mn452 1.0 0.86808 0.78125 0.50002 1.0000 + Mn Mn453 1.0 0.90974 0.82292 0.50002 1.0000 + Mn Mn454 1.0 0.95141 0.86458 0.50002 1.0000 + Mn Mn455 1.0 0.99308 0.90625 0.50002 1.0000 + Mn Mn456 1.0 0.03474 0.94792 0.50002 1.0000 + Mn Mn457 1.0 0.61808 0.44792 0.50002 1.0000 + Mn Mn458 1.0 0.65974 0.48958 0.50002 1.0000 + Mn Mn459 1.0 0.70141 0.53125 0.50002 1.0000 + Mn Mn460 1.0 0.74308 0.57292 0.50002 1.0000 + Mn Mn461 1.0 0.78474 0.61458 0.50002 1.0000 + Mn Mn462 1.0 0.82641 0.65625 0.50002 1.0000 + Mn Mn463 1.0 0.86808 0.69792 0.50002 1.0000 + Mn Mn464 1.0 0.90974 0.73958 0.50002 1.0000 + Mn Mn465 1.0 0.95141 0.78125 0.50002 1.0000 + Mn Mn466 1.0 0.99308 0.82292 0.50002 1.0000 + Mn Mn467 1.0 0.03474 0.86458 0.50002 1.0000 + Mn Mn468 1.0 0.07641 0.90625 0.50002 1.0000 + Mn Mn469 1.0 0.65974 0.40625 0.50002 1.0000 + Mn Mn470 1.0 0.70141 0.44792 0.50002 1.0000 + Mn Mn471 1.0 0.74308 0.48958 0.50002 1.0000 + Mn Mn472 1.0 0.78474 0.53125 0.50002 1.0000 + Mn Mn473 1.0 0.82641 0.57292 0.50002 1.0000 + Mn Mn474 1.0 0.86808 0.61458 0.50002 1.0000 + Mn Mn475 1.0 0.90974 0.65625 0.50002 1.0000 + Mn Mn476 1.0 0.95141 0.69792 0.50002 1.0000 + Mn Mn477 1.0 0.99308 0.73958 0.50002 1.0000 + Mn Mn478 1.0 0.03474 0.78125 0.50002 1.0000 + Mn Mn479 1.0 0.07641 0.82292 0.50002 1.0000 + Mn Mn480 1.0 0.11808 0.86458 0.50002 1.0000 + Mn Mn481 1.0 0.70141 0.36458 0.50002 1.0000 + Mn Mn482 1.0 0.74308 0.40625 0.50002 1.0000 + Mn Mn483 1.0 0.78474 0.44792 0.50002 1.0000 + Mn Mn484 1.0 0.82641 0.48958 0.50002 1.0000 + Mn Mn485 1.0 0.86808 0.53125 0.50002 1.0000 + Mn Mn486 1.0 0.90974 0.57292 0.50002 1.0000 + Mn Mn487 1.0 0.95141 0.61458 0.50002 1.0000 + Mn Mn488 1.0 0.99308 0.65625 0.50002 1.0000 + Mn Mn489 1.0 0.03474 0.69792 0.50002 1.0000 + Mn Mn490 1.0 0.07641 0.73958 0.50002 1.0000 + Mn Mn491 1.0 0.11808 0.78125 0.50002 1.0000 + Mn Mn492 1.0 0.15974 0.82292 0.50002 1.0000 + Mn Mn493 1.0 0.74308 0.32292 0.50002 1.0000 + Mn Mn494 1.0 0.78474 0.36458 0.50002 1.0000 + Mn Mn495 1.0 0.82641 0.40625 0.50002 1.0000 + Mn Mn496 1.0 0.86808 0.44792 0.50002 1.0000 + Mn Mn497 1.0 0.90974 0.48958 0.50002 1.0000 + Mn Mn498 1.0 0.95141 0.53125 0.50002 1.0000 + Mn Mn499 1.0 0.99308 0.57292 0.50002 1.0000 + Mn Mn500 1.0 0.03474 0.61458 0.50002 1.0000 + Mn Mn501 1.0 0.07641 0.65625 0.50002 1.0000 + Mn Mn502 1.0 0.11808 0.69792 0.50002 1.0000 + Mn Mn503 1.0 0.15974 0.73958 0.50002 1.0000 + Mn Mn504 1.0 0.20141 0.78125 0.50002 1.0000 + Mn Mn505 1.0 0.78474 0.28125 0.50002 1.0000 + Mn Mn506 1.0 0.82641 0.32292 0.50002 1.0000 + Mn Mn507 1.0 0.86808 0.36458 0.50002 1.0000 + Mn Mn508 1.0 0.90974 0.40625 0.50002 1.0000 + Mn Mn509 1.0 0.95141 0.44792 0.50002 1.0000 + Mn Mn510 1.0 0.99308 0.48958 0.50002 1.0000 + Mn Mn511 1.0 0.03474 0.53125 0.50002 1.0000 + Mn Mn512 1.0 0.07641 0.57292 0.50002 1.0000 + Mn Mn513 1.0 0.11808 0.61458 0.50002 1.0000 + Mn Mn514 1.0 0.15974 0.65625 0.50002 1.0000 + Mn Mn515 1.0 0.20141 0.69792 0.50002 1.0000 + Mn Mn516 1.0 0.24308 0.73958 0.50002 1.0000 + Mn Mn517 1.0 0.82641 0.23958 0.50002 1.0000 + Mn Mn518 1.0 0.86808 0.28125 0.50002 1.0000 + Mn Mn519 1.0 0.90974 0.32292 0.50002 1.0000 + Mn Mn520 1.0 0.95141 0.36458 0.50002 1.0000 + Mn Mn521 1.0 0.99308 0.40625 0.50002 1.0000 + Mn Mn522 1.0 0.03474 0.44792 0.50002 1.0000 + Mn Mn523 1.0 0.07641 0.48958 0.50002 1.0000 + Mn Mn524 1.0 0.11808 0.53125 0.50002 1.0000 + Mn Mn525 1.0 0.15974 0.57292 0.50002 1.0000 + Mn Mn526 1.0 0.20141 0.61458 0.50002 1.0000 + Mn Mn527 1.0 0.24308 0.65625 0.50002 1.0000 + Mn Mn528 1.0 0.28474 0.69792 0.50002 1.0000 + Mn Mn529 1.0 0.86808 0.19792 0.50002 1.0000 + Mn Mn530 1.0 0.90974 0.23958 0.50002 1.0000 + Mn Mn531 1.0 0.95141 0.28125 0.50002 1.0000 + Mn Mn532 1.0 0.99308 0.32292 0.50002 1.0000 + Mn Mn533 1.0 0.03474 0.36458 0.50002 1.0000 + Mn Mn534 1.0 0.07641 0.40625 0.50002 1.0000 + Mn Mn535 1.0 0.11808 0.44792 0.50002 1.0000 + Mn Mn536 1.0 0.15974 0.48958 0.50002 1.0000 + Mn Mn537 1.0 0.20141 0.53125 0.50002 1.0000 + Mn Mn538 1.0 0.24308 0.57292 0.50002 1.0000 + Mn Mn539 1.0 0.28474 0.61458 0.50002 1.0000 + Mn Mn540 1.0 0.32641 0.65625 0.50002 1.0000 + Mn Mn541 1.0 0.90974 0.15625 0.50002 1.0000 + Mn Mn542 1.0 0.95141 0.19792 0.50002 1.0000 + Mn Mn543 1.0 0.99308 0.23958 0.50002 1.0000 + Mn Mn544 1.0 0.03474 0.28125 0.50002 1.0000 + Mn Mn545 1.0 0.07641 0.32292 0.50002 1.0000 + Mn Mn546 1.0 0.11808 0.36458 0.50002 1.0000 + Mn Mn547 1.0 0.15974 0.40625 0.50002 1.0000 + Mn Mn548 1.0 0.20141 0.44792 0.50002 1.0000 + Mn Mn549 1.0 0.24308 0.48958 0.50002 1.0000 + Mn Mn550 1.0 0.28474 0.53125 0.50002 1.0000 + Mn Mn551 1.0 0.32641 0.57292 0.50002 1.0000 + Mn Mn552 1.0 0.36808 0.61458 0.50002 1.0000 + Mn Mn553 1.0 0.95141 0.11458 0.50002 1.0000 + Mn Mn554 1.0 0.99308 0.15625 0.50002 1.0000 + Mn Mn555 1.0 0.03474 0.19792 0.50002 1.0000 + Mn Mn556 1.0 0.07641 0.23958 0.50002 1.0000 + Mn Mn557 1.0 0.11808 0.28125 0.50002 1.0000 + Mn Mn558 1.0 0.15974 0.32292 0.50002 1.0000 + Mn Mn559 1.0 0.20141 0.36458 0.50002 1.0000 + Mn Mn560 1.0 0.24308 0.40625 0.50002 1.0000 + Mn Mn561 1.0 0.28474 0.44792 0.50002 1.0000 + Mn Mn562 1.0 0.32641 0.48958 0.50002 1.0000 + Mn Mn563 1.0 0.36808 0.53125 0.50002 1.0000 + Mn Mn564 1.0 0.40974 0.57292 0.50002 1.0000 + Mn Mn565 1.0 0.99308 0.07292 0.50002 1.0000 + Mn Mn566 1.0 0.03474 0.11458 0.50002 1.0000 + Mn Mn567 1.0 0.07641 0.15625 0.50002 1.0000 + Mn Mn568 1.0 0.11808 0.19792 0.50002 1.0000 + Mn Mn569 1.0 0.15974 0.23958 0.50002 1.0000 + Mn Mn570 1.0 0.20141 0.28125 0.50002 1.0000 + Mn Mn571 1.0 0.24308 0.32292 0.50002 1.0000 + Mn Mn572 1.0 0.28474 0.36458 0.50002 1.0000 + Mn Mn573 1.0 0.32641 0.40625 0.50002 1.0000 + Mn Mn574 1.0 0.36808 0.44792 0.50002 1.0000 + Mn Mn575 1.0 0.40974 0.48958 0.50002 1.0000 + Mn Mn576 1.0 0.45141 0.53125 0.50002 1.0000 + Mn Mn577 1.0 0.53475 0.48958 0.49998 1.0000 + Mn Mn578 1.0 0.57641 0.53125 0.49998 1.0000 + Mn Mn579 1.0 0.61808 0.57292 0.49998 1.0000 + Mn Mn580 1.0 0.65975 0.61458 0.49998 1.0000 + Mn Mn581 1.0 0.70141 0.65625 0.49998 1.0000 + Mn Mn582 1.0 0.74308 0.69792 0.49998 1.0000 + Mn Mn583 1.0 0.78475 0.73958 0.49998 1.0000 + Mn Mn584 1.0 0.82641 0.78125 0.49998 1.0000 + Mn Mn585 1.0 0.86808 0.82292 0.49998 1.0000 + Mn Mn586 1.0 0.90975 0.86458 0.49998 1.0000 + Mn Mn587 1.0 0.95141 0.90625 0.49998 1.0000 + Mn Mn588 1.0 0.99308 0.94792 0.49998 1.0000 + Mn Mn589 1.0 0.57641 0.44792 0.49998 1.0000 + Mn Mn590 1.0 0.61808 0.48958 0.49998 1.0000 + Mn Mn591 1.0 0.65975 0.53125 0.49998 1.0000 + Mn Mn592 1.0 0.70141 0.57292 0.49998 1.0000 + Mn Mn593 1.0 0.74308 0.61458 0.49998 1.0000 + Mn Mn594 1.0 0.78475 0.65625 0.49998 1.0000 + Mn Mn595 1.0 0.82641 0.69792 0.49998 1.0000 + Mn Mn596 1.0 0.86808 0.73958 0.49998 1.0000 + Mn Mn597 1.0 0.90975 0.78125 0.49998 1.0000 + Mn Mn598 1.0 0.95141 0.82292 0.49998 1.0000 + Mn Mn599 1.0 0.99308 0.86458 0.49998 1.0000 + Mn Mn600 1.0 0.03475 0.90625 0.49998 1.0000 + Mn Mn601 1.0 0.61808 0.40625 0.49998 1.0000 + Mn Mn602 1.0 0.65975 0.44792 0.49998 1.0000 + Mn Mn603 1.0 0.70141 0.48958 0.49998 1.0000 + Mn Mn604 1.0 0.74308 0.53125 0.49998 1.0000 + Mn Mn605 1.0 0.78475 0.57292 0.49998 1.0000 + Mn Mn606 1.0 0.82641 0.61458 0.49998 1.0000 + Mn Mn607 1.0 0.86808 0.65625 0.49998 1.0000 + Mn Mn608 1.0 0.90975 0.69792 0.49998 1.0000 + Mn Mn609 1.0 0.95141 0.73958 0.49998 1.0000 + Mn Mn610 1.0 0.99308 0.78125 0.49998 1.0000 + Mn Mn611 1.0 0.03475 0.82292 0.49998 1.0000 + Mn Mn612 1.0 0.07641 0.86458 0.49998 1.0000 + Mn Mn613 1.0 0.65975 0.36458 0.49998 1.0000 + Mn Mn614 1.0 0.70141 0.40625 0.49998 1.0000 + Mn Mn615 1.0 0.74308 0.44792 0.49998 1.0000 + Mn Mn616 1.0 0.78475 0.48958 0.49998 1.0000 + Mn Mn617 1.0 0.82641 0.53125 0.49998 1.0000 + Mn Mn618 1.0 0.86808 0.57292 0.49998 1.0000 + Mn Mn619 1.0 0.90975 0.61458 0.49998 1.0000 + Mn Mn620 1.0 0.95141 0.65625 0.49998 1.0000 + Mn Mn621 1.0 0.99308 0.69792 0.49998 1.0000 + Mn Mn622 1.0 0.03475 0.73958 0.49998 1.0000 + Mn Mn623 1.0 0.07641 0.78125 0.49998 1.0000 + Mn Mn624 1.0 0.11808 0.82292 0.49998 1.0000 + Mn Mn625 1.0 0.70141 0.32292 0.49998 1.0000 + Mn Mn626 1.0 0.74308 0.36458 0.49998 1.0000 + Mn Mn627 1.0 0.78475 0.40625 0.49998 1.0000 + Mn Mn628 1.0 0.82641 0.44792 0.49998 1.0000 + Mn Mn629 1.0 0.86808 0.48958 0.49998 1.0000 + Mn Mn630 1.0 0.90975 0.53125 0.49998 1.0000 + Mn Mn631 1.0 0.95141 0.57292 0.49998 1.0000 + Mn Mn632 1.0 0.99308 0.61458 0.49998 1.0000 + Mn Mn633 1.0 0.03475 0.65625 0.49998 1.0000 + Mn Mn634 1.0 0.07641 0.69792 0.49998 1.0000 + Mn Mn635 1.0 0.11808 0.73958 0.49998 1.0000 + Mn Mn636 1.0 0.15975 0.78125 0.49998 1.0000 + Mn Mn637 1.0 0.74308 0.28125 0.49998 1.0000 + Mn Mn638 1.0 0.78475 0.32292 0.49998 1.0000 + Mn Mn639 1.0 0.82641 0.36458 0.49998 1.0000 + Mn Mn640 1.0 0.86808 0.40625 0.49998 1.0000 + Mn Mn641 1.0 0.90975 0.44792 0.49998 1.0000 + Mn Mn642 1.0 0.95141 0.48958 0.49998 1.0000 + Mn Mn643 1.0 0.99308 0.53125 0.49998 1.0000 + Mn Mn644 1.0 0.03475 0.57292 0.49998 1.0000 + Mn Mn645 1.0 0.07641 0.61458 0.49998 1.0000 + Mn Mn646 1.0 0.11808 0.65625 0.49998 1.0000 + Mn Mn647 1.0 0.15975 0.69792 0.49998 1.0000 + Mn Mn648 1.0 0.20141 0.73958 0.49998 1.0000 + Mn Mn649 1.0 0.78475 0.23958 0.49998 1.0000 + Mn Mn650 1.0 0.82641 0.28125 0.49998 1.0000 + Mn Mn651 1.0 0.86808 0.32292 0.49998 1.0000 + Mn Mn652 1.0 0.90975 0.36458 0.49998 1.0000 + Mn Mn653 1.0 0.95141 0.40625 0.49998 1.0000 + Mn Mn654 1.0 0.99308 0.44792 0.49998 1.0000 + Mn Mn655 1.0 0.03475 0.48958 0.49998 1.0000 + Mn Mn656 1.0 0.07641 0.53125 0.49998 1.0000 + Mn Mn657 1.0 0.11808 0.57292 0.49998 1.0000 + Mn Mn658 1.0 0.15975 0.61458 0.49998 1.0000 + Mn Mn659 1.0 0.20141 0.65625 0.49998 1.0000 + Mn Mn660 1.0 0.24308 0.69792 0.49998 1.0000 + Mn Mn661 1.0 0.82641 0.19792 0.49998 1.0000 + Mn Mn662 1.0 0.86808 0.23958 0.49998 1.0000 + Mn Mn663 1.0 0.90975 0.28125 0.49998 1.0000 + Mn Mn664 1.0 0.95141 0.32292 0.49998 1.0000 + Mn Mn665 1.0 0.99308 0.36458 0.49998 1.0000 + Mn Mn666 1.0 0.03475 0.40625 0.49998 1.0000 + Mn Mn667 1.0 0.07641 0.44792 0.49998 1.0000 + Mn Mn668 1.0 0.11808 0.48958 0.49998 1.0000 + Mn Mn669 1.0 0.15975 0.53125 0.49998 1.0000 + Mn Mn670 1.0 0.20141 0.57292 0.49998 1.0000 + Mn Mn671 1.0 0.24308 0.61458 0.49998 1.0000 + Mn Mn672 1.0 0.28475 0.65625 0.49998 1.0000 + Mn Mn673 1.0 0.86808 0.15625 0.49998 1.0000 + Mn Mn674 1.0 0.90975 0.19792 0.49998 1.0000 + Mn Mn675 1.0 0.95141 0.23958 0.49998 1.0000 + Mn Mn676 1.0 0.99308 0.28125 0.49998 1.0000 + Mn Mn677 1.0 0.03475 0.32292 0.49998 1.0000 + Mn Mn678 1.0 0.07641 0.36458 0.49998 1.0000 + Mn Mn679 1.0 0.11808 0.40625 0.49998 1.0000 + Mn Mn680 1.0 0.15975 0.44792 0.49998 1.0000 + Mn Mn681 1.0 0.20141 0.48958 0.49998 1.0000 + Mn Mn682 1.0 0.24308 0.53125 0.49998 1.0000 + Mn Mn683 1.0 0.28475 0.57292 0.49998 1.0000 + Mn Mn684 1.0 0.32641 0.61458 0.49998 1.0000 + Mn Mn685 1.0 0.90975 0.11458 0.49998 1.0000 + Mn Mn686 1.0 0.95141 0.15625 0.49998 1.0000 + Mn Mn687 1.0 0.99308 0.19792 0.49998 1.0000 + Mn Mn688 1.0 0.03475 0.23958 0.49998 1.0000 + Mn Mn689 1.0 0.07641 0.28125 0.49998 1.0000 + Mn Mn690 1.0 0.11808 0.32292 0.49998 1.0000 + Mn Mn691 1.0 0.15975 0.36458 0.49998 1.0000 + Mn Mn692 1.0 0.20141 0.40625 0.49998 1.0000 + Mn Mn693 1.0 0.24308 0.44792 0.49998 1.0000 + Mn Mn694 1.0 0.28475 0.48958 0.49998 1.0000 + Mn Mn695 1.0 0.32641 0.53125 0.49998 1.0000 + Mn Mn696 1.0 0.36808 0.57292 0.49998 1.0000 + Mn Mn697 1.0 0.95141 0.07292 0.49998 1.0000 + Mn Mn698 1.0 0.99308 0.11458 0.49998 1.0000 + Mn Mn699 1.0 0.03475 0.15625 0.49998 1.0000 + Mn Mn700 1.0 0.07641 0.19792 0.49998 1.0000 + Mn Mn701 1.0 0.11808 0.23958 0.49998 1.0000 + Mn Mn702 1.0 0.15975 0.28125 0.49998 1.0000 + Mn Mn703 1.0 0.20141 0.32292 0.49998 1.0000 + Mn Mn704 1.0 0.24308 0.36458 0.49998 1.0000 + Mn Mn705 1.0 0.28475 0.40625 0.49998 1.0000 + Mn Mn706 1.0 0.32641 0.44792 0.49998 1.0000 + Mn Mn707 1.0 0.36808 0.48958 0.49998 1.0000 + Mn Mn708 1.0 0.40975 0.53125 0.49998 1.0000 + Mn Mn709 1.0 0.99308 0.03125 0.49998 1.0000 + Mn Mn710 1.0 0.03475 0.07292 0.49998 1.0000 + Mn Mn711 1.0 0.07641 0.11458 0.49998 1.0000 + Mn Mn712 1.0 0.11808 0.15625 0.49998 1.0000 + Mn Mn713 1.0 0.15975 0.19792 0.49998 1.0000 + Mn Mn714 1.0 0.20141 0.23958 0.49998 1.0000 + Mn Mn715 1.0 0.24308 0.28125 0.49998 1.0000 + Mn Mn716 1.0 0.28475 0.32292 0.49998 1.0000 + Mn Mn717 1.0 0.32641 0.36458 0.49998 1.0000 + Mn Mn718 1.0 0.36808 0.40625 0.49998 1.0000 + Mn Mn719 1.0 0.40975 0.44792 0.49998 1.0000 + Mn Mn720 1.0 0.45141 0.48958 0.49998 1.0000 + Mn Mn721 1.0 0.51391 0.51042 0.50000 1.0000 + Mn Mn722 1.0 0.55558 0.55209 0.50000 1.0000 + Mn Mn723 1.0 0.59724 0.59375 0.50000 1.0000 + Mn Mn724 1.0 0.63891 0.63542 0.50000 1.0000 + Mn Mn725 1.0 0.68058 0.67709 0.50000 1.0000 + Mn Mn726 1.0 0.72224 0.71875 0.50000 1.0000 + Mn Mn727 1.0 0.76391 0.76042 0.50000 1.0000 + Mn Mn728 1.0 0.80558 0.80209 0.50000 1.0000 + Mn Mn729 1.0 0.84724 0.84375 0.50000 1.0000 + Mn Mn730 1.0 0.88891 0.88542 0.50000 1.0000 + Mn Mn731 1.0 0.93058 0.92709 0.50000 1.0000 + Mn Mn732 1.0 0.97224 0.96875 0.50000 1.0000 + Mn Mn733 1.0 0.55558 0.46875 0.50000 1.0000 + Mn Mn734 1.0 0.59724 0.51042 0.50000 1.0000 + Mn Mn735 1.0 0.63891 0.55209 0.50000 1.0000 + Mn Mn736 1.0 0.68058 0.59375 0.50000 1.0000 + Mn Mn737 1.0 0.72224 0.63542 0.50000 1.0000 + Mn Mn738 1.0 0.76391 0.67709 0.50000 1.0000 + Mn Mn739 1.0 0.80558 0.71875 0.50000 1.0000 + Mn Mn740 1.0 0.84724 0.76042 0.50000 1.0000 + Mn Mn741 1.0 0.88891 0.80209 0.50000 1.0000 + Mn Mn742 1.0 0.93058 0.84375 0.50000 1.0000 + Mn Mn743 1.0 0.97224 0.88542 0.50000 1.0000 + Mn Mn744 1.0 0.01391 0.92709 0.50000 1.0000 + Mn Mn745 1.0 0.59724 0.42709 0.50000 1.0000 + Mn Mn746 1.0 0.63891 0.46875 0.50000 1.0000 + Mn Mn747 1.0 0.68058 0.51042 0.50000 1.0000 + Mn Mn748 1.0 0.72224 0.55209 0.50000 1.0000 + Mn Mn749 1.0 0.76391 0.59375 0.50000 1.0000 + Mn Mn750 1.0 0.80558 0.63542 0.50000 1.0000 + Mn Mn751 1.0 0.84724 0.67709 0.50000 1.0000 + Mn Mn752 1.0 0.88891 0.71875 0.50000 1.0000 + Mn Mn753 1.0 0.93058 0.76042 0.50000 1.0000 + Mn Mn754 1.0 0.97224 0.80209 0.50000 1.0000 + Mn Mn755 1.0 0.01391 0.84375 0.50000 1.0000 + Mn Mn756 1.0 0.05558 0.88542 0.50000 1.0000 + Mn Mn757 1.0 0.63891 0.38542 0.50000 1.0000 + Mn Mn758 1.0 0.68058 0.42709 0.50000 1.0000 + Mn Mn759 1.0 0.72224 0.46875 0.50000 1.0000 + Mn Mn760 1.0 0.76391 0.51042 0.50000 1.0000 + Mn Mn761 1.0 0.80558 0.55209 0.50000 1.0000 + Mn Mn762 1.0 0.84724 0.59375 0.50000 1.0000 + Mn Mn763 1.0 0.88891 0.63542 0.50000 1.0000 + Mn Mn764 1.0 0.93058 0.67709 0.50000 1.0000 + Mn Mn765 1.0 0.97224 0.71875 0.50000 1.0000 + Mn Mn766 1.0 0.01391 0.76042 0.50000 1.0000 + Mn Mn767 1.0 0.05558 0.80209 0.50000 1.0000 + Mn Mn768 1.0 0.09724 0.84375 0.50000 1.0000 + Mn Mn769 1.0 0.68058 0.34375 0.50000 1.0000 + Mn Mn770 1.0 0.72224 0.38542 0.50000 1.0000 + Mn Mn771 1.0 0.76391 0.42709 0.50000 1.0000 + Mn Mn772 1.0 0.80558 0.46875 0.50000 1.0000 + Mn Mn773 1.0 0.84724 0.51042 0.50000 1.0000 + Mn Mn774 1.0 0.88891 0.55209 0.50000 1.0000 + Mn Mn775 1.0 0.93058 0.59375 0.50000 1.0000 + Mn Mn776 1.0 0.97224 0.63542 0.50000 1.0000 + Mn Mn777 1.0 0.01391 0.67709 0.50000 1.0000 + Mn Mn778 1.0 0.05558 0.71875 0.50000 1.0000 + Mn Mn779 1.0 0.09724 0.76042 0.50000 1.0000 + Mn Mn780 1.0 0.13891 0.80209 0.50000 1.0000 + Mn Mn781 1.0 0.72224 0.30209 0.50000 1.0000 + Mn Mn782 1.0 0.76391 0.34375 0.50000 1.0000 + Mn Mn783 1.0 0.80558 0.38542 0.50000 1.0000 + Mn Mn784 1.0 0.84724 0.42709 0.50000 1.0000 + Mn Mn785 1.0 0.88891 0.46875 0.50000 1.0000 + Mn Mn786 1.0 0.93058 0.51042 0.50000 1.0000 + Mn Mn787 1.0 0.97224 0.55209 0.50000 1.0000 + Mn Mn788 1.0 0.01391 0.59375 0.50000 1.0000 + Mn Mn789 1.0 0.05558 0.63542 0.50000 1.0000 + Mn Mn790 1.0 0.09724 0.67709 0.50000 1.0000 + Mn Mn791 1.0 0.13891 0.71875 0.50000 1.0000 + Mn Mn792 1.0 0.18058 0.76042 0.50000 1.0000 + Mn Mn793 1.0 0.76391 0.26042 0.50000 1.0000 + Mn Mn794 1.0 0.80558 0.30209 0.50000 1.0000 + Mn Mn795 1.0 0.84724 0.34375 0.50000 1.0000 + Mn Mn796 1.0 0.88891 0.38542 0.50000 1.0000 + Mn Mn797 1.0 0.93058 0.42709 0.50000 1.0000 + Mn Mn798 1.0 0.97224 0.46875 0.50000 1.0000 + Mn Mn799 1.0 0.01391 0.51042 0.50000 1.0000 + Mn Mn800 1.0 0.05558 0.55209 0.50000 1.0000 + Mn Mn801 1.0 0.09724 0.59375 0.50000 1.0000 + Mn Mn802 1.0 0.13891 0.63542 0.50000 1.0000 + Mn Mn803 1.0 0.18058 0.67709 0.50000 1.0000 + Mn Mn804 1.0 0.22224 0.71875 0.50000 1.0000 + Mn Mn805 1.0 0.80558 0.21875 0.50000 1.0000 + Mn Mn806 1.0 0.84724 0.26042 0.50000 1.0000 + Mn Mn807 1.0 0.88891 0.30209 0.50000 1.0000 + Mn Mn808 1.0 0.93058 0.34375 0.50000 1.0000 + Mn Mn809 1.0 0.97224 0.38542 0.50000 1.0000 + Mn Mn810 1.0 0.01391 0.42709 0.50000 1.0000 + Mn Mn811 1.0 0.05558 0.46875 0.50000 1.0000 + Mn Mn812 1.0 0.09724 0.51042 0.50000 1.0000 + Mn Mn813 1.0 0.13891 0.55209 0.50000 1.0000 + Mn Mn814 1.0 0.18058 0.59375 0.50000 1.0000 + Mn Mn815 1.0 0.22224 0.63542 0.50000 1.0000 + Mn Mn816 1.0 0.26391 0.67709 0.50000 1.0000 + Mn Mn817 1.0 0.84724 0.17709 0.50000 1.0000 + Mn Mn818 1.0 0.88891 0.21875 0.50000 1.0000 + Mn Mn819 1.0 0.93058 0.26042 0.50000 1.0000 + Mn Mn820 1.0 0.97224 0.30209 0.50000 1.0000 + Mn Mn821 1.0 0.01391 0.34375 0.50000 1.0000 + Mn Mn822 1.0 0.05558 0.38542 0.50000 1.0000 + Mn Mn823 1.0 0.09724 0.42709 0.50000 1.0000 + Mn Mn824 1.0 0.13891 0.46875 0.50000 1.0000 + Mn Mn825 1.0 0.18058 0.51042 0.50000 1.0000 + Mn Mn826 1.0 0.22224 0.55209 0.50000 1.0000 + Mn Mn827 1.0 0.26391 0.59375 0.50000 1.0000 + Mn Mn828 1.0 0.30558 0.63542 0.50000 1.0000 + Mn Mn829 1.0 0.88891 0.13542 0.50000 1.0000 + Mn Mn830 1.0 0.93058 0.17709 0.50000 1.0000 + Mn Mn831 1.0 0.97224 0.21875 0.50000 1.0000 + Mn Mn832 1.0 0.01391 0.26042 0.50000 1.0000 + Mn Mn833 1.0 0.05558 0.30209 0.50000 1.0000 + Mn Mn834 1.0 0.09724 0.34375 0.50000 1.0000 + Mn Mn835 1.0 0.13891 0.38542 0.50000 1.0000 + Mn Mn836 1.0 0.18058 0.42709 0.50000 1.0000 + Mn Mn837 1.0 0.22224 0.46875 0.50000 1.0000 + Mn Mn838 1.0 0.26391 0.51042 0.50000 1.0000 + Mn Mn839 1.0 0.30558 0.55209 0.50000 1.0000 + Mn Mn840 1.0 0.34724 0.59375 0.50000 1.0000 + Mn Mn841 1.0 0.93058 0.09375 0.50000 1.0000 + Mn Mn842 1.0 0.97224 0.13542 0.50000 1.0000 + Mn Mn843 1.0 0.01391 0.17709 0.50000 1.0000 + Mn Mn844 1.0 0.05558 0.21875 0.50000 1.0000 + Mn Mn845 1.0 0.09724 0.26042 0.50000 1.0000 + Mn Mn846 1.0 0.13891 0.30209 0.50000 1.0000 + Mn Mn847 1.0 0.18058 0.34375 0.50000 1.0000 + Mn Mn848 1.0 0.22224 0.38542 0.50000 1.0000 + Mn Mn849 1.0 0.26391 0.42709 0.50000 1.0000 + Mn Mn850 1.0 0.30558 0.46875 0.50000 1.0000 + Mn Mn851 1.0 0.34724 0.51042 0.50000 1.0000 + Mn Mn852 1.0 0.38891 0.55209 0.50000 1.0000 + Mn Mn853 1.0 0.97224 0.05209 0.50000 1.0000 + Mn Mn854 1.0 0.01391 0.09375 0.50000 1.0000 + Mn Mn855 1.0 0.05558 0.13542 0.50000 1.0000 + Mn Mn856 1.0 0.09724 0.17709 0.50000 1.0000 + Mn Mn857 1.0 0.13891 0.21875 0.50000 1.0000 + Mn Mn858 1.0 0.18058 0.26042 0.50000 1.0000 + Mn Mn859 1.0 0.22224 0.30209 0.50000 1.0000 + Mn Mn860 1.0 0.26391 0.34375 0.50000 1.0000 + Mn Mn861 1.0 0.30558 0.38542 0.50000 1.0000 + Mn Mn862 1.0 0.34724 0.42709 0.50000 1.0000 + Mn Mn863 1.0 0.38891 0.46875 0.50000 1.0000 + Mn Mn864 1.0 0.43058 0.51042 0.50000 1.0000 + Sb Sb145 1.0 0.55558 0.51041 0.50000 1.0000 + Sb Sb146 1.0 0.59724 0.55207 0.50000 1.0000 + Sb Sb147 1.0 0.63891 0.59374 0.50000 1.0000 + Sb Sb148 1.0 0.68058 0.63541 0.50000 1.0000 + Sb Sb149 1.0 0.72224 0.67707 0.50000 1.0000 + Sb Sb150 1.0 0.76391 0.71874 0.50000 1.0000 + Sb Sb151 1.0 0.80558 0.76041 0.50000 1.0000 + Sb Sb152 1.0 0.84724 0.80207 0.50000 1.0000 + Sb Sb153 1.0 0.88891 0.84374 0.50000 1.0000 + Sb Sb154 1.0 0.93058 0.88541 0.50000 1.0000 + Sb Sb155 1.0 0.97224 0.92707 0.50000 1.0000 + Sb Sb156 1.0 0.01391 0.96874 0.50000 1.0000 + Sb Sb157 1.0 0.59724 0.46874 0.50000 1.0000 + Sb Sb158 1.0 0.63891 0.51041 0.50000 1.0000 + Sb Sb159 1.0 0.68058 0.55207 0.50000 1.0000 + Sb Sb160 1.0 0.72224 0.59374 0.50000 1.0000 + Sb Sb161 1.0 0.76391 0.63541 0.50000 1.0000 + Sb Sb162 1.0 0.80558 0.67707 0.50000 1.0000 + Sb Sb163 1.0 0.84724 0.71874 0.50000 1.0000 + Sb Sb164 1.0 0.88891 0.76041 0.50000 1.0000 + Sb Sb165 1.0 0.93058 0.80207 0.50000 1.0000 + Sb Sb166 1.0 0.97224 0.84374 0.50000 1.0000 + Sb Sb167 1.0 0.01391 0.88541 0.50000 1.0000 + Sb Sb168 1.0 0.05558 0.92707 0.50000 1.0000 + Sb Sb169 1.0 0.63891 0.42707 0.50000 1.0000 + Sb Sb170 1.0 0.68058 0.46874 0.50000 1.0000 + Sb Sb171 1.0 0.72224 0.51041 0.50000 1.0000 + Sb Sb172 1.0 0.76391 0.55207 0.50000 1.0000 + Sb Sb173 1.0 0.80558 0.59374 0.50000 1.0000 + Sb Sb174 1.0 0.84724 0.63541 0.50000 1.0000 + Sb Sb175 1.0 0.88891 0.67707 0.50000 1.0000 + Sb Sb176 1.0 0.93058 0.71874 0.50000 1.0000 + Sb Sb177 1.0 0.97224 0.76041 0.50000 1.0000 + Sb Sb178 1.0 0.01391 0.80207 0.50000 1.0000 + Sb Sb179 1.0 0.05558 0.84374 0.50000 1.0000 + Sb Sb180 1.0 0.09724 0.88541 0.50000 1.0000 + Sb Sb181 1.0 0.68058 0.38541 0.50000 1.0000 + Sb Sb182 1.0 0.72224 0.42707 0.50000 1.0000 + Sb Sb183 1.0 0.76391 0.46874 0.50000 1.0000 + Sb Sb184 1.0 0.80558 0.51041 0.50000 1.0000 + Sb Sb185 1.0 0.84724 0.55207 0.50000 1.0000 + Sb Sb186 1.0 0.88891 0.59374 0.50000 1.0000 + Sb Sb187 1.0 0.93058 0.63541 0.50000 1.0000 + Sb Sb188 1.0 0.97224 0.67707 0.50000 1.0000 + Sb Sb189 1.0 0.01391 0.71874 0.50000 1.0000 + Sb Sb190 1.0 0.05558 0.76041 0.50000 1.0000 + Sb Sb191 1.0 0.09724 0.80207 0.50000 1.0000 + Sb Sb192 1.0 0.13891 0.84374 0.50000 1.0000 + Sb Sb193 1.0 0.72224 0.34374 0.50000 1.0000 + Sb Sb194 1.0 0.76391 0.38541 0.50000 1.0000 + Sb Sb195 1.0 0.80558 0.42707 0.50000 1.0000 + Sb Sb196 1.0 0.84724 0.46874 0.50000 1.0000 + Sb Sb197 1.0 0.88891 0.51041 0.50000 1.0000 + Sb Sb198 1.0 0.93058 0.55207 0.50000 1.0000 + Sb Sb199 1.0 0.97224 0.59374 0.50000 1.0000 + Sb Sb200 1.0 0.01391 0.63541 0.50000 1.0000 + Sb Sb201 1.0 0.05558 0.67707 0.50000 1.0000 + Sb Sb202 1.0 0.09724 0.71874 0.50000 1.0000 + Sb Sb203 1.0 0.13891 0.76041 0.50000 1.0000 + Sb Sb204 1.0 0.18058 0.80207 0.50000 1.0000 + Sb Sb205 1.0 0.76391 0.30207 0.50000 1.0000 + Sb Sb206 1.0 0.80558 0.34374 0.50000 1.0000 + Sb Sb207 1.0 0.84724 0.38541 0.50000 1.0000 + Sb Sb208 1.0 0.88891 0.42707 0.50000 1.0000 + Sb Sb209 1.0 0.93058 0.46874 0.50000 1.0000 + Sb Sb210 1.0 0.97224 0.51041 0.50000 1.0000 + Sb Sb211 1.0 0.01391 0.55207 0.50000 1.0000 + Sb Sb212 1.0 0.05558 0.59374 0.50000 1.0000 + Sb Sb213 1.0 0.09724 0.63541 0.50000 1.0000 + Sb Sb214 1.0 0.13891 0.67707 0.50000 1.0000 + Sb Sb215 1.0 0.18058 0.71874 0.50000 1.0000 + Sb Sb216 1.0 0.22224 0.76041 0.50000 1.0000 + Sb Sb217 1.0 0.80558 0.26041 0.50000 1.0000 + Sb Sb218 1.0 0.84724 0.30207 0.50000 1.0000 + Sb Sb219 1.0 0.88891 0.34374 0.50000 1.0000 + Sb Sb220 1.0 0.93058 0.38541 0.50000 1.0000 + Sb Sb221 1.0 0.97224 0.42707 0.50000 1.0000 + Sb Sb222 1.0 0.01391 0.46874 0.50000 1.0000 + Sb Sb223 1.0 0.05558 0.51041 0.50000 1.0000 + Sb Sb224 1.0 0.09724 0.55207 0.50000 1.0000 + Sb Sb225 1.0 0.13891 0.59374 0.50000 1.0000 + Sb Sb226 1.0 0.18058 0.63541 0.50000 1.0000 + Sb Sb227 1.0 0.22224 0.67707 0.50000 1.0000 + Sb Sb228 1.0 0.26391 0.71874 0.50000 1.0000 + Sb Sb229 1.0 0.84724 0.21874 0.50000 1.0000 + Sb Sb230 1.0 0.88891 0.26041 0.50000 1.0000 + Sb Sb231 1.0 0.93058 0.30207 0.50000 1.0000 + Sb Sb232 1.0 0.97224 0.34374 0.50000 1.0000 + Sb Sb233 1.0 0.01391 0.38541 0.50000 1.0000 + Sb Sb234 1.0 0.05558 0.42707 0.50000 1.0000 + Sb Sb235 1.0 0.09724 0.46874 0.50000 1.0000 + Sb Sb236 1.0 0.13891 0.51041 0.50000 1.0000 + Sb Sb237 1.0 0.18058 0.55207 0.50000 1.0000 + Sb Sb238 1.0 0.22224 0.59374 0.50000 1.0000 + Sb Sb239 1.0 0.26391 0.63541 0.50000 1.0000 + Sb Sb240 1.0 0.30558 0.67707 0.50000 1.0000 + Sb Sb241 1.0 0.88891 0.17707 0.50000 1.0000 + Sb Sb242 1.0 0.93058 0.21874 0.50000 1.0000 + Sb Sb243 1.0 0.97224 0.26041 0.50000 1.0000 + Sb Sb244 1.0 0.01391 0.30207 0.50000 1.0000 + Sb Sb245 1.0 0.05558 0.34374 0.50000 1.0000 + Sb Sb246 1.0 0.09724 0.38541 0.50000 1.0000 + Sb Sb247 1.0 0.13891 0.42707 0.50000 1.0000 + Sb Sb248 1.0 0.18058 0.46874 0.50000 1.0000 + Sb Sb249 1.0 0.22224 0.51041 0.50000 1.0000 + Sb Sb250 1.0 0.26391 0.55207 0.50000 1.0000 + Sb Sb251 1.0 0.30558 0.59374 0.50000 1.0000 + Sb Sb252 1.0 0.34724 0.63541 0.50000 1.0000 + Sb Sb253 1.0 0.93058 0.13541 0.50000 1.0000 + Sb Sb254 1.0 0.97224 0.17707 0.50000 1.0000 + Sb Sb255 1.0 0.01391 0.21874 0.50000 1.0000 + Sb Sb256 1.0 0.05558 0.26041 0.50000 1.0000 + Sb Sb257 1.0 0.09724 0.30207 0.50000 1.0000 + Sb Sb258 1.0 0.13891 0.34374 0.50000 1.0000 + Sb Sb259 1.0 0.18058 0.38541 0.50000 1.0000 + Sb Sb260 1.0 0.22224 0.42707 0.50000 1.0000 + Sb Sb261 1.0 0.26391 0.46874 0.50000 1.0000 + Sb Sb262 1.0 0.30558 0.51041 0.50000 1.0000 + Sb Sb263 1.0 0.34724 0.55207 0.50000 1.0000 + Sb Sb264 1.0 0.38891 0.59374 0.50000 1.0000 + Sb Sb265 1.0 0.97224 0.09374 0.50000 1.0000 + Sb Sb266 1.0 0.01391 0.13541 0.50000 1.0000 + Sb Sb267 1.0 0.05558 0.17707 0.50000 1.0000 + Sb Sb268 1.0 0.09724 0.21874 0.50000 1.0000 + Sb Sb269 1.0 0.13891 0.26041 0.50000 1.0000 + Sb Sb270 1.0 0.18058 0.30207 0.50000 1.0000 + 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Co Co230 1.0 0.90628 0.35507 0.50000 1.0000 + Co Co231 1.0 0.90628 0.41757 0.50000 1.0000 + Co Co232 1.0 0.90628 0.48007 0.50000 1.0000 + Co Co233 1.0 0.90628 0.54257 0.50000 1.0000 + Co Co234 1.0 0.90628 0.60507 0.50000 1.0000 + Co Co235 1.0 0.90628 0.66757 0.50000 1.0000 + Co Co236 1.0 0.90628 0.73007 0.50000 1.0000 + Co Co237 1.0 0.90628 0.79257 0.50000 1.0000 + Co Co238 1.0 0.90628 0.85507 0.50000 1.0000 + Co Co239 1.0 0.90628 0.91757 0.50000 1.0000 + Co Co240 1.0 0.90628 0.98007 0.50000 1.0000 + Co Co241 1.0 0.96878 0.04257 0.50000 1.0000 + Co Co242 1.0 0.96878 0.10507 0.50000 1.0000 + Co Co243 1.0 0.96878 0.16757 0.50000 1.0000 + Co Co244 1.0 0.96878 0.23007 0.50000 1.0000 + Co Co245 1.0 0.96878 0.29257 0.50000 1.0000 + Co Co246 1.0 0.96878 0.35507 0.50000 1.0000 + Co Co247 1.0 0.96878 0.41757 0.50000 1.0000 + Co Co248 1.0 0.96878 0.48007 0.50000 1.0000 + Co Co249 1.0 0.96878 0.54257 0.50000 1.0000 + Co Co250 1.0 0.96878 0.60507 0.50000 1.0000 + Co Co251 1.0 0.96878 0.66757 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1.0 0.12503 0.44882 0.50000 1.0000 + Te Te41 1.0 0.12503 0.51132 0.50000 1.0000 + Te Te42 1.0 0.12503 0.57382 0.50000 1.0000 + Te Te43 1.0 0.12503 0.63632 0.50000 1.0000 + Te Te44 1.0 0.12503 0.69882 0.50000 1.0000 + Te Te45 1.0 0.12503 0.76132 0.50000 1.0000 + Te Te46 1.0 0.12503 0.82382 0.50000 1.0000 + Te Te47 1.0 0.12503 0.88632 0.50000 1.0000 + Te Te48 1.0 0.12503 0.94882 0.50000 1.0000 + Te Te49 1.0 0.18753 0.01132 0.50000 1.0000 + Te Te50 1.0 0.18753 0.07382 0.50000 1.0000 + Te Te51 1.0 0.18753 0.13632 0.50000 1.0000 + Te Te52 1.0 0.18753 0.19882 0.50000 1.0000 + Te Te53 1.0 0.18753 0.26132 0.50000 1.0000 + Te Te54 1.0 0.18753 0.32382 0.50000 1.0000 + Te Te55 1.0 0.18753 0.38632 0.50000 1.0000 + Te Te56 1.0 0.18753 0.44882 0.50000 1.0000 + Te Te57 1.0 0.18753 0.51132 0.50000 1.0000 + Te Te58 1.0 0.18753 0.57382 0.50000 1.0000 + Te Te59 1.0 0.18753 0.63632 0.50000 1.0000 + Te Te60 1.0 0.18753 0.69882 0.50000 1.0000 + Te Te61 1.0 0.18753 0.76132 0.50000 1.0000 + Te Te62 1.0 0.18753 0.82382 0.50000 1.0000 + Te Te63 1.0 0.18753 0.88632 0.50000 1.0000 + Te Te64 1.0 0.18753 0.94882 0.50000 1.0000 + Te Te65 1.0 0.25003 0.01132 0.50000 1.0000 + Te Te66 1.0 0.25003 0.07382 0.50000 1.0000 + Te Te67 1.0 0.25003 0.13632 0.50000 1.0000 + Te Te68 1.0 0.25003 0.19882 0.50000 1.0000 + Te Te69 1.0 0.25003 0.26132 0.50000 1.0000 + Te Te70 1.0 0.25003 0.32382 0.50000 1.0000 + Te Te71 1.0 0.25003 0.38632 0.50000 1.0000 + Te Te72 1.0 0.25003 0.44882 0.50000 1.0000 + Te Te73 1.0 0.25003 0.51132 0.50000 1.0000 + Te Te74 1.0 0.25003 0.57382 0.50000 1.0000 + Te Te75 1.0 0.25003 0.63632 0.50000 1.0000 + Te Te76 1.0 0.25003 0.69882 0.50000 1.0000 + Te Te77 1.0 0.25003 0.76132 0.50000 1.0000 + Te Te78 1.0 0.25003 0.82382 0.50000 1.0000 + Te Te79 1.0 0.25003 0.88632 0.50000 1.0000 + Te Te80 1.0 0.25003 0.94882 0.50000 1.0000 + Te Te81 1.0 0.31253 0.01132 0.50000 1.0000 + Te Te82 1.0 0.31253 0.07382 0.50000 1.0000 + Te Te83 1.0 0.31253 0.13632 0.50000 1.0000 + Te Te84 1.0 0.31253 0.19882 0.50000 1.0000 + Te Te85 1.0 0.31253 0.26132 0.50000 1.0000 + Te Te86 1.0 0.31253 0.32382 0.50000 1.0000 + Te Te87 1.0 0.31253 0.38632 0.50000 1.0000 + Te Te88 1.0 0.31253 0.44882 0.50000 1.0000 + Te Te89 1.0 0.31253 0.51132 0.50000 1.0000 + Te Te90 1.0 0.31253 0.57382 0.50000 1.0000 + Te Te91 1.0 0.31253 0.63632 0.50000 1.0000 + Te Te92 1.0 0.31253 0.69882 0.50000 1.0000 + Te Te93 1.0 0.31253 0.76132 0.50000 1.0000 + Te Te94 1.0 0.31253 0.82382 0.50000 1.0000 + Te Te95 1.0 0.31253 0.88632 0.50000 1.0000 + Te Te96 1.0 0.31253 0.94882 0.50000 1.0000 + Te Te97 1.0 0.37503 0.01132 0.50000 1.0000 + Te Te98 1.0 0.37503 0.07382 0.50000 1.0000 + Te Te99 1.0 0.37503 0.13632 0.50000 1.0000 + Te Te100 1.0 0.37503 0.19882 0.50000 1.0000 + Te Te101 1.0 0.37503 0.26132 0.50000 1.0000 + Te Te102 1.0 0.37503 0.32382 0.50000 1.0000 + Te Te103 1.0 0.37503 0.38632 0.50000 1.0000 + Te Te104 1.0 0.37503 0.44882 0.50000 1.0000 + Te Te105 1.0 0.37503 0.51132 0.50000 1.0000 + Te Te106 1.0 0.37503 0.57382 0.50000 1.0000 + Te Te107 1.0 0.37503 0.63632 0.50000 1.0000 + Te Te108 1.0 0.37503 0.69882 0.50000 1.0000 + Te Te109 1.0 0.37503 0.76132 0.50000 1.0000 + Te Te110 1.0 0.37503 0.82382 0.50000 1.0000 + Te Te111 1.0 0.37503 0.88632 0.50000 1.0000 + Te Te112 1.0 0.37503 0.94882 0.50000 1.0000 + Te Te113 1.0 0.43753 0.01132 0.50000 1.0000 + Te Te114 1.0 0.43753 0.07382 0.50000 1.0000 + Te Te115 1.0 0.43753 0.13632 0.50000 1.0000 + Te Te116 1.0 0.43753 0.19882 0.50000 1.0000 + Te Te117 1.0 0.43753 0.26132 0.50000 1.0000 + Te Te118 1.0 0.43753 0.32382 0.50000 1.0000 + Te Te119 1.0 0.43753 0.38632 0.50000 1.0000 + Te Te120 1.0 0.43753 0.44882 0.50000 1.0000 + Te Te121 1.0 0.43753 0.51132 0.50000 1.0000 + Te Te122 1.0 0.43753 0.57382 0.50000 1.0000 + Te Te123 1.0 0.43753 0.63632 0.50000 1.0000 + Te Te124 1.0 0.43753 0.69882 0.50000 1.0000 + Te Te125 1.0 0.43753 0.76132 0.50000 1.0000 + Te Te126 1.0 0.43753 0.82382 0.50000 1.0000 + Te Te127 1.0 0.43753 0.88632 0.50000 1.0000 + Te Te128 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0.40628 0.08244 0.32346 1.0000 + O O867 1.0 0.40628 0.14494 0.32346 1.0000 + O O868 1.0 0.40628 0.20744 0.32346 1.0000 + O O869 1.0 0.40628 0.26994 0.32346 1.0000 + O O870 1.0 0.40628 0.33244 0.32346 1.0000 + O O871 1.0 0.40628 0.39494 0.32346 1.0000 + O O872 1.0 0.40628 0.45744 0.32346 1.0000 + O O873 1.0 0.40628 0.51994 0.32346 1.0000 + O O874 1.0 0.40628 0.58244 0.32346 1.0000 + O O875 1.0 0.40628 0.64494 0.32346 1.0000 + O O876 1.0 0.40628 0.70744 0.32346 1.0000 + O O877 1.0 0.40628 0.76994 0.32346 1.0000 + O O878 1.0 0.40628 0.83244 0.32346 1.0000 + O O879 1.0 0.40628 0.89494 0.32346 1.0000 + O O880 1.0 0.40628 0.95744 0.32346 1.0000 + O O881 1.0 0.46878 0.01994 0.32346 1.0000 + O O882 1.0 0.46878 0.08244 0.32346 1.0000 + O O883 1.0 0.46878 0.14494 0.32346 1.0000 + O O884 1.0 0.46878 0.20744 0.32346 1.0000 + O O885 1.0 0.46878 0.26994 0.32346 1.0000 + O O886 1.0 0.46878 0.33244 0.32346 1.0000 + O O887 1.0 0.46878 0.39494 0.32346 1.0000 + O O888 1.0 0.46878 0.45744 0.32346 1.0000 + O O889 1.0 0.46878 0.51994 0.32346 1.0000 + O O890 1.0 0.46878 0.58244 0.32346 1.0000 + O O891 1.0 0.46878 0.64494 0.32346 1.0000 + O O892 1.0 0.46878 0.70744 0.32346 1.0000 + O O893 1.0 0.46878 0.76994 0.32346 1.0000 + O O894 1.0 0.46878 0.83244 0.32346 1.0000 + O O895 1.0 0.46878 0.89494 0.32346 1.0000 + O O896 1.0 0.46878 0.95744 0.32346 1.0000 + O O897 1.0 0.53128 0.01994 0.32346 1.0000 + O O898 1.0 0.53128 0.08244 0.32346 1.0000 + O O899 1.0 0.53128 0.14494 0.32346 1.0000 + O O900 1.0 0.53128 0.20744 0.32346 1.0000 + O O901 1.0 0.53128 0.26994 0.32346 1.0000 + O O902 1.0 0.53128 0.33244 0.32346 1.0000 + O O903 1.0 0.53128 0.39494 0.32346 1.0000 + O O904 1.0 0.53128 0.45744 0.32346 1.0000 + O O905 1.0 0.53128 0.51994 0.32346 1.0000 + O O906 1.0 0.53128 0.58244 0.32346 1.0000 + O O907 1.0 0.53128 0.64494 0.32346 1.0000 + O O908 1.0 0.53128 0.70744 0.32346 1.0000 + O O909 1.0 0.53128 0.76994 0.32346 1.0000 + O O910 1.0 0.53128 0.83244 0.32346 1.0000 + O O911 1.0 0.53128 0.89494 0.32346 1.0000 + O O912 1.0 0.53128 0.95744 0.32346 1.0000 + O O913 1.0 0.59378 0.01994 0.32346 1.0000 + O O914 1.0 0.59378 0.08244 0.32346 1.0000 + O O915 1.0 0.59378 0.14494 0.32346 1.0000 + O O916 1.0 0.59378 0.20744 0.32346 1.0000 + O O917 1.0 0.59378 0.26994 0.32346 1.0000 + O O918 1.0 0.59378 0.33244 0.32346 1.0000 + O O919 1.0 0.59378 0.39494 0.32346 1.0000 + O O920 1.0 0.59378 0.45744 0.32346 1.0000 + O O921 1.0 0.59378 0.51994 0.32346 1.0000 + O O922 1.0 0.59378 0.58244 0.32346 1.0000 + O O923 1.0 0.59378 0.64494 0.32346 1.0000 + O O924 1.0 0.59378 0.70744 0.32346 1.0000 + O O925 1.0 0.59378 0.76994 0.32346 1.0000 + O O926 1.0 0.59378 0.83244 0.32346 1.0000 + O O927 1.0 0.59378 0.89494 0.32346 1.0000 + O O928 1.0 0.59378 0.95744 0.32346 1.0000 + O O929 1.0 0.65628 0.01994 0.32346 1.0000 + O O930 1.0 0.65628 0.08244 0.32346 1.0000 + O O931 1.0 0.65628 0.14494 0.32346 1.0000 + O O932 1.0 0.65628 0.20744 0.32346 1.0000 + O O933 1.0 0.65628 0.26994 0.32346 1.0000 + O O934 1.0 0.65628 0.33244 0.32346 1.0000 + O O935 1.0 0.65628 0.39494 0.32346 1.0000 + O O936 1.0 0.65628 0.45744 0.32346 1.0000 + O O937 1.0 0.65628 0.51994 0.32346 1.0000 + O O938 1.0 0.65628 0.58244 0.32346 1.0000 + O O939 1.0 0.65628 0.64494 0.32346 1.0000 + O O940 1.0 0.65628 0.70744 0.32346 1.0000 + O O941 1.0 0.65628 0.76994 0.32346 1.0000 + O O942 1.0 0.65628 0.83244 0.32346 1.0000 + O O943 1.0 0.65628 0.89494 0.32346 1.0000 + O O944 1.0 0.65628 0.95744 0.32346 1.0000 + O O945 1.0 0.71878 0.01994 0.32346 1.0000 + O O946 1.0 0.71878 0.08244 0.32346 1.0000 + O O947 1.0 0.71878 0.14494 0.32346 1.0000 + O O948 1.0 0.71878 0.20744 0.32346 1.0000 + O O949 1.0 0.71878 0.26994 0.32346 1.0000 + O O950 1.0 0.71878 0.33244 0.32346 1.0000 + O O951 1.0 0.71878 0.39494 0.32346 1.0000 + O O952 1.0 0.71878 0.45744 0.32346 1.0000 + O O953 1.0 0.71878 0.51994 0.32346 1.0000 + O O954 1.0 0.71878 0.58244 0.32346 1.0000 + O O955 1.0 0.71878 0.64494 0.32346 1.0000 + O O956 1.0 0.71878 0.70744 0.32346 1.0000 + O O957 1.0 0.71878 0.76994 0.32346 1.0000 + O O958 1.0 0.71878 0.83244 0.32346 1.0000 + O O959 1.0 0.71878 0.89494 0.32346 1.0000 + O O960 1.0 0.71878 0.95744 0.32346 1.0000 + O O961 1.0 0.78128 0.01994 0.32346 1.0000 + O O962 1.0 0.78128 0.08244 0.32346 1.0000 + O O963 1.0 0.78128 0.14494 0.32346 1.0000 + O O964 1.0 0.78128 0.20744 0.32346 1.0000 + O O965 1.0 0.78128 0.26994 0.32346 1.0000 + O O966 1.0 0.78128 0.33244 0.32346 1.0000 + O O967 1.0 0.78128 0.39494 0.32346 1.0000 + O O968 1.0 0.78128 0.45744 0.32346 1.0000 + O O969 1.0 0.78128 0.51994 0.32346 1.0000 + O O970 1.0 0.78128 0.58244 0.32346 1.0000 + O O971 1.0 0.78128 0.64494 0.32346 1.0000 + O O972 1.0 0.78128 0.70744 0.32346 1.0000 + O O973 1.0 0.78128 0.76994 0.32346 1.0000 + O O974 1.0 0.78128 0.83244 0.32346 1.0000 + O O975 1.0 0.78128 0.89494 0.32346 1.0000 + O O976 1.0 0.78128 0.95744 0.32346 1.0000 + O O977 1.0 0.84378 0.01994 0.32346 1.0000 + O O978 1.0 0.84378 0.08244 0.32346 1.0000 + O O979 1.0 0.84378 0.14494 0.32346 1.0000 + O O980 1.0 0.84378 0.20744 0.32346 1.0000 + O O981 1.0 0.84378 0.26994 0.32346 1.0000 + O O982 1.0 0.84378 0.33244 0.32346 1.0000 + O O983 1.0 0.84378 0.39494 0.32346 1.0000 + O O984 1.0 0.84378 0.45744 0.32346 1.0000 + O O985 1.0 0.84378 0.51994 0.32346 1.0000 + O O986 1.0 0.84378 0.58244 0.32346 1.0000 + O O987 1.0 0.84378 0.64494 0.32346 1.0000 + O O988 1.0 0.84378 0.70744 0.32346 1.0000 + O O989 1.0 0.84378 0.76994 0.32346 1.0000 + O O990 1.0 0.84378 0.83244 0.32346 1.0000 + O O991 1.0 0.84378 0.89494 0.32346 1.0000 + O O992 1.0 0.84378 0.95744 0.32346 1.0000 + O O993 1.0 0.90628 0.01994 0.32346 1.0000 + O O994 1.0 0.90628 0.08244 0.32346 1.0000 + O O995 1.0 0.90628 0.14494 0.32346 1.0000 + O O996 1.0 0.90628 0.20744 0.32346 1.0000 + O O997 1.0 0.90628 0.26994 0.32346 1.0000 + O O998 1.0 0.90628 0.33244 0.32346 1.0000 + O O999 1.0 0.90628 0.39494 0.32346 1.0000 + O O1000 1.0 0.90628 0.45744 0.32346 1.0000 + O O1001 1.0 0.90628 0.51994 0.32346 1.0000 + O O1002 1.0 0.90628 0.58244 0.32346 1.0000 + O O1003 1.0 0.90628 0.64494 0.32346 1.0000 + O O1004 1.0 0.90628 0.70744 0.32346 1.0000 + O O1005 1.0 0.90628 0.76994 0.32346 1.0000 + O O1006 1.0 0.90628 0.83244 0.32346 1.0000 + O O1007 1.0 0.90628 0.89494 0.32346 1.0000 + O O1008 1.0 0.90628 0.95744 0.32346 1.0000 + O O1009 1.0 0.96878 0.01994 0.32346 1.0000 + O O1010 1.0 0.96878 0.08244 0.32346 1.0000 + O O1011 1.0 0.96878 0.14494 0.32346 1.0000 + O O1012 1.0 0.96878 0.20744 0.32346 1.0000 + O O1013 1.0 0.96878 0.26994 0.32346 1.0000 + O O1014 1.0 0.96878 0.33244 0.32346 1.0000 + O O1015 1.0 0.96878 0.39494 0.32346 1.0000 + O O1016 1.0 0.96878 0.45744 0.32346 1.0000 + O O1017 1.0 0.96878 0.51994 0.32346 1.0000 + O O1018 1.0 0.96878 0.58244 0.32346 1.0000 + O O1019 1.0 0.96878 0.64494 0.32346 1.0000 + O O1020 1.0 0.96878 0.70744 0.32346 1.0000 + O O1021 1.0 0.96878 0.76994 0.32346 1.0000 + O O1022 1.0 0.96878 0.83244 0.32346 1.0000 + O O1023 1.0 0.96878 0.89494 0.32346 1.0000 + O O1024 1.0 0.96878 0.95744 0.32346 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4071_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4071_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..b4bf969b94a2f75466b3eb3c17285b4a3f4d4eeb --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4071_supercell_12x12x1.cif @@ -0,0 +1,1897 @@ +data_image0 +_chemical_formula_structural Zn288Co432O1152 +_chemical_formula_sum "Zn288 Co432 O1152" +_cell_length_a 60.7911 +_cell_length_b 69.2724 +_cell_length_c 6.9527 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Zn Zn1 1.0 0.02496 0.00000 0.71234 1.0000 + Zn Zn2 1.0 0.02496 0.08333 0.71234 1.0000 + Zn Zn3 1.0 0.02496 0.16667 0.71234 1.0000 + Zn Zn4 1.0 0.02496 0.25000 0.71234 1.0000 + Zn Zn5 1.0 0.02496 0.33333 0.71234 1.0000 + Zn Zn6 1.0 0.02496 0.41667 0.71234 1.0000 + Zn Zn7 1.0 0.02496 0.50000 0.71234 1.0000 + Zn Zn8 1.0 0.02496 0.58333 0.71234 1.0000 + Zn Zn9 1.0 0.02496 0.66667 0.71234 1.0000 + Zn Zn10 1.0 0.02496 0.75000 0.71234 1.0000 + Zn Zn11 1.0 0.02496 0.83333 0.71234 1.0000 + Zn Zn12 1.0 0.02496 0.91667 0.71234 1.0000 + Zn Zn13 1.0 0.10830 0.00000 0.71234 1.0000 + Zn Zn14 1.0 0.10830 0.08333 0.71234 1.0000 + Zn Zn15 1.0 0.10830 0.16667 0.71234 1.0000 + Zn Zn16 1.0 0.10830 0.25000 0.71234 1.0000 + Zn Zn17 1.0 0.10830 0.33333 0.71234 1.0000 + Zn Zn18 1.0 0.10830 0.41667 0.71234 1.0000 + Zn Zn19 1.0 0.10830 0.50000 0.71234 1.0000 + Zn Zn20 1.0 0.10830 0.58333 0.71234 1.0000 + Zn Zn21 1.0 0.10830 0.66667 0.71234 1.0000 + Zn Zn22 1.0 0.10830 0.75000 0.71234 1.0000 + Zn Zn23 1.0 0.10830 0.83333 0.71234 1.0000 + Zn Zn24 1.0 0.10830 0.91667 0.71234 1.0000 + Zn Zn25 1.0 0.19163 0.00000 0.71234 1.0000 + Zn Zn26 1.0 0.19163 0.08333 0.71234 1.0000 + Zn Zn27 1.0 0.19163 0.16667 0.71234 1.0000 + Zn Zn28 1.0 0.19163 0.25000 0.71234 1.0000 + Zn Zn29 1.0 0.19163 0.33333 0.71234 1.0000 + Zn Zn30 1.0 0.19163 0.41667 0.71234 1.0000 + Zn Zn31 1.0 0.19163 0.50000 0.71234 1.0000 + Zn Zn32 1.0 0.19163 0.58333 0.71234 1.0000 + Zn Zn33 1.0 0.19163 0.66667 0.71234 1.0000 + Zn Zn34 1.0 0.19163 0.75000 0.71234 1.0000 + Zn Zn35 1.0 0.19163 0.83333 0.71234 1.0000 + Zn Zn36 1.0 0.19163 0.91667 0.71234 1.0000 + Zn Zn37 1.0 0.27496 0.00000 0.71234 1.0000 + Zn Zn38 1.0 0.27496 0.08333 0.71234 1.0000 + Zn Zn39 1.0 0.27496 0.16667 0.71234 1.0000 + Zn Zn40 1.0 0.27496 0.25000 0.71234 1.0000 + Zn Zn41 1.0 0.27496 0.33333 0.71234 1.0000 + Zn Zn42 1.0 0.27496 0.41667 0.71234 1.0000 + Zn Zn43 1.0 0.27496 0.50000 0.71234 1.0000 + Zn Zn44 1.0 0.27496 0.58333 0.71234 1.0000 + Zn Zn45 1.0 0.27496 0.66667 0.71234 1.0000 + Zn Zn46 1.0 0.27496 0.75000 0.71234 1.0000 + Zn Zn47 1.0 0.27496 0.83333 0.71234 1.0000 + Zn Zn48 1.0 0.27496 0.91667 0.71234 1.0000 + Zn Zn49 1.0 0.35830 0.00000 0.71234 1.0000 + Zn Zn50 1.0 0.35830 0.08333 0.71234 1.0000 + Zn Zn51 1.0 0.35830 0.16667 0.71234 1.0000 + Zn Zn52 1.0 0.35830 0.25000 0.71234 1.0000 + Zn Zn53 1.0 0.35830 0.33333 0.71234 1.0000 + Zn Zn54 1.0 0.35830 0.41667 0.71234 1.0000 + Zn Zn55 1.0 0.35830 0.50000 0.71234 1.0000 + Zn Zn56 1.0 0.35830 0.58333 0.71234 1.0000 + Zn Zn57 1.0 0.35830 0.66667 0.71234 1.0000 + Zn Zn58 1.0 0.35830 0.75000 0.71234 1.0000 + Zn Zn59 1.0 0.35830 0.83333 0.71234 1.0000 + Zn Zn60 1.0 0.35830 0.91667 0.71234 1.0000 + Zn Zn61 1.0 0.44163 0.00000 0.71234 1.0000 + Zn Zn62 1.0 0.44163 0.08333 0.71234 1.0000 + Zn Zn63 1.0 0.44163 0.16667 0.71234 1.0000 + Zn Zn64 1.0 0.44163 0.25000 0.71234 1.0000 + Zn Zn65 1.0 0.44163 0.33333 0.71234 1.0000 + Zn Zn66 1.0 0.44163 0.41667 0.71234 1.0000 + Zn Zn67 1.0 0.44163 0.50000 0.71234 1.0000 + Zn Zn68 1.0 0.44163 0.58333 0.71234 1.0000 + Zn Zn69 1.0 0.44163 0.66667 0.71234 1.0000 + Zn Zn70 1.0 0.44163 0.75000 0.71234 1.0000 + Zn Zn71 1.0 0.44163 0.83333 0.71234 1.0000 + Zn Zn72 1.0 0.44163 0.91667 0.71234 1.0000 + Zn Zn73 1.0 0.52496 0.00000 0.71234 1.0000 + Zn Zn74 1.0 0.52496 0.08333 0.71234 1.0000 + Zn Zn75 1.0 0.52496 0.16667 0.71234 1.0000 + Zn Zn76 1.0 0.52496 0.25000 0.71234 1.0000 + Zn Zn77 1.0 0.52496 0.33333 0.71234 1.0000 + Zn Zn78 1.0 0.52496 0.41667 0.71234 1.0000 + Zn Zn79 1.0 0.52496 0.50000 0.71234 1.0000 + Zn Zn80 1.0 0.52496 0.58333 0.71234 1.0000 + Zn Zn81 1.0 0.52496 0.66667 0.71234 1.0000 + Zn Zn82 1.0 0.52496 0.75000 0.71234 1.0000 + Zn Zn83 1.0 0.52496 0.83333 0.71234 1.0000 + Zn Zn84 1.0 0.52496 0.91667 0.71234 1.0000 + Zn Zn85 1.0 0.60830 0.00000 0.71234 1.0000 + Zn Zn86 1.0 0.60830 0.08333 0.71234 1.0000 + Zn Zn87 1.0 0.60830 0.16667 0.71234 1.0000 + Zn Zn88 1.0 0.60830 0.25000 0.71234 1.0000 + Zn Zn89 1.0 0.60830 0.33333 0.71234 1.0000 + Zn Zn90 1.0 0.60830 0.41667 0.71234 1.0000 + Zn Zn91 1.0 0.60830 0.50000 0.71234 1.0000 + Zn Zn92 1.0 0.60830 0.58333 0.71234 1.0000 + Zn Zn93 1.0 0.60830 0.66667 0.71234 1.0000 + Zn Zn94 1.0 0.60830 0.75000 0.71234 1.0000 + Zn Zn95 1.0 0.60830 0.83333 0.71234 1.0000 + Zn Zn96 1.0 0.60830 0.91667 0.71234 1.0000 + Zn Zn97 1.0 0.69163 0.00000 0.71234 1.0000 + Zn Zn98 1.0 0.69163 0.08333 0.71234 1.0000 + Zn Zn99 1.0 0.69163 0.16667 0.71234 1.0000 + Zn Zn100 1.0 0.69163 0.25000 0.71234 1.0000 + Zn Zn101 1.0 0.69163 0.33333 0.71234 1.0000 + Zn Zn102 1.0 0.69163 0.41667 0.71234 1.0000 + Zn Zn103 1.0 0.69163 0.50000 0.71234 1.0000 + Zn Zn104 1.0 0.69163 0.58333 0.71234 1.0000 + Zn Zn105 1.0 0.69163 0.66667 0.71234 1.0000 + Zn Zn106 1.0 0.69163 0.75000 0.71234 1.0000 + Zn Zn107 1.0 0.69163 0.83333 0.71234 1.0000 + Zn Zn108 1.0 0.69163 0.91667 0.71234 1.0000 + Zn Zn109 1.0 0.77496 0.00000 0.71234 1.0000 + Zn Zn110 1.0 0.77496 0.08333 0.71234 1.0000 + Zn Zn111 1.0 0.77496 0.16667 0.71234 1.0000 + Zn Zn112 1.0 0.77496 0.25000 0.71234 1.0000 + Zn Zn113 1.0 0.77496 0.33333 0.71234 1.0000 + Zn Zn114 1.0 0.77496 0.41667 0.71234 1.0000 + Zn Zn115 1.0 0.77496 0.50000 0.71234 1.0000 + Zn Zn116 1.0 0.77496 0.58333 0.71234 1.0000 + Zn Zn117 1.0 0.77496 0.66667 0.71234 1.0000 + Zn Zn118 1.0 0.77496 0.75000 0.71234 1.0000 + Zn Zn119 1.0 0.77496 0.83333 0.71234 1.0000 + Zn Zn120 1.0 0.77496 0.91667 0.71234 1.0000 + Zn Zn121 1.0 0.85830 0.00000 0.71234 1.0000 + Zn Zn122 1.0 0.85830 0.08333 0.71234 1.0000 + Zn Zn123 1.0 0.85830 0.16667 0.71234 1.0000 + Zn Zn124 1.0 0.85830 0.25000 0.71234 1.0000 + Zn Zn125 1.0 0.85830 0.33333 0.71234 1.0000 + Zn Zn126 1.0 0.85830 0.41667 0.71234 1.0000 + Zn Zn127 1.0 0.85830 0.50000 0.71234 1.0000 + Zn Zn128 1.0 0.85830 0.58333 0.71234 1.0000 + Zn Zn129 1.0 0.85830 0.66667 0.71234 1.0000 + Zn Zn130 1.0 0.85830 0.75000 0.71234 1.0000 + Zn Zn131 1.0 0.85830 0.83333 0.71234 1.0000 + Zn Zn132 1.0 0.85830 0.91667 0.71234 1.0000 + Zn Zn133 1.0 0.94163 0.00000 0.71234 1.0000 + Zn Zn134 1.0 0.94163 0.08333 0.71234 1.0000 + Zn Zn135 1.0 0.94163 0.16667 0.71234 1.0000 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O1137 1.0 0.87113 0.68953 0.35078 1.0000 + O O1138 1.0 0.87113 0.77287 0.35078 1.0000 + O O1139 1.0 0.87113 0.85620 0.35078 1.0000 + O O1140 1.0 0.87113 0.93953 0.35078 1.0000 + O O1141 1.0 0.95446 0.02287 0.35078 1.0000 + O O1142 1.0 0.95446 0.10620 0.35078 1.0000 + O O1143 1.0 0.95446 0.18953 0.35078 1.0000 + O O1144 1.0 0.95446 0.27287 0.35078 1.0000 + O O1145 1.0 0.95446 0.35620 0.35078 1.0000 + O O1146 1.0 0.95446 0.43953 0.35078 1.0000 + O O1147 1.0 0.95446 0.52287 0.35078 1.0000 + O O1148 1.0 0.95446 0.60620 0.35078 1.0000 + O O1149 1.0 0.95446 0.68953 0.35078 1.0000 + O O1150 1.0 0.95446 0.77287 0.35078 1.0000 + O O1151 1.0 0.95446 0.85620 0.35078 1.0000 + O O1152 1.0 0.95446 0.93953 0.35078 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-407_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-407_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..25ed85ab406085daca39371293d1570f55d02f1e --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-407_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural Te512Pb512 +_chemical_formula_sum "Te512 Pb512" +_cell_length_a 68.5778 +_cell_length_b 106.07 +_cell_length_c 6.42876 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Te Te1 1.0 0.00000 0.03125 0.68890 1.0000 + Te Te2 1.0 0.00000 0.09375 0.68890 1.0000 + Te Te3 1.0 0.00000 0.15625 0.68890 1.0000 + Te Te4 1.0 0.00000 0.21875 0.68890 1.0000 + Te Te5 1.0 0.00000 0.28125 0.68890 1.0000 + Te Te6 1.0 0.00000 0.34375 0.68890 1.0000 + Te Te7 1.0 0.00000 0.40625 0.68890 1.0000 + Te Te8 1.0 0.00000 0.46875 0.68890 1.0000 + Te Te9 1.0 0.00000 0.53125 0.68890 1.0000 + Te Te10 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0.34375 0.68890 1.0000 + Te Te55 1.0 0.18750 0.40625 0.68890 1.0000 + Te Te56 1.0 0.18750 0.46875 0.68890 1.0000 + Te Te57 1.0 0.18750 0.53125 0.68890 1.0000 + Te Te58 1.0 0.18750 0.59375 0.68890 1.0000 + Te Te59 1.0 0.18750 0.65625 0.68890 1.0000 + Te Te60 1.0 0.18750 0.71875 0.68890 1.0000 + Te Te61 1.0 0.18750 0.78125 0.68890 1.0000 + Te Te62 1.0 0.18750 0.84375 0.68890 1.0000 + Te Te63 1.0 0.18750 0.90625 0.68890 1.0000 + Te Te64 1.0 0.18750 0.96875 0.68890 1.0000 + Te Te65 1.0 0.25000 0.03125 0.68890 1.0000 + Te Te66 1.0 0.25000 0.09375 0.68890 1.0000 + Te Te67 1.0 0.25000 0.15625 0.68890 1.0000 + Te Te68 1.0 0.25000 0.21875 0.68890 1.0000 + Te Te69 1.0 0.25000 0.28125 0.68890 1.0000 + Te Te70 1.0 0.25000 0.34375 0.68890 1.0000 + Te Te71 1.0 0.25000 0.40625 0.68890 1.0000 + Te Te72 1.0 0.25000 0.46875 0.68890 1.0000 + Te Te73 1.0 0.25000 0.53125 0.68890 1.0000 + Te Te74 1.0 0.25000 0.59375 0.68890 1.0000 + Te Te75 1.0 0.25000 0.65625 0.68890 1.0000 + Te Te76 1.0 0.25000 0.71875 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Cr432O1152Cr432O1152 +_chemical_formula_sum "Cr864 O2304" +_cell_length_a 119.717 +_cell_length_b 69.1187 +_cell_length_c 6.02874 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Cr Cr1 1.0 0.97223 0.04167 0.50000 1.0000 + Cr Cr2 1.0 0.93056 0.08333 0.50000 1.0000 + Cr Cr3 1.0 0.88889 0.12500 0.50000 1.0000 + Cr Cr4 1.0 0.84723 0.16667 0.50000 1.0000 + Cr Cr5 1.0 0.80556 0.20833 0.50000 1.0000 + Cr Cr6 1.0 0.76389 0.25000 0.50000 1.0000 + Cr Cr7 1.0 0.72223 0.29167 0.50000 1.0000 + Cr Cr8 1.0 0.68056 0.33333 0.50000 1.0000 + Cr Cr9 1.0 0.63889 0.37500 0.50000 1.0000 + Cr Cr10 1.0 0.59723 0.41667 0.50000 1.0000 + Cr Cr11 1.0 0.55556 0.45833 0.50000 1.0000 + Cr Cr12 1.0 0.51389 0.50000 0.50000 1.0000 + Cr Cr13 1.0 0.01389 0.08333 0.50000 1.0000 + Cr Cr14 1.0 0.97223 0.12500 0.50000 1.0000 + Cr Cr15 1.0 0.93056 0.16667 0.50000 1.0000 + Cr Cr16 1.0 0.88889 0.20833 0.50000 1.0000 + Cr Cr17 1.0 0.84723 0.25000 0.50000 1.0000 + Cr Cr18 1.0 0.80556 0.29167 0.50000 1.0000 + Cr Cr19 1.0 0.76389 0.33333 0.50000 1.0000 + Cr Cr20 1.0 0.72223 0.37500 0.50000 1.0000 + Cr Cr21 1.0 0.68056 0.41667 0.50000 1.0000 + Cr Cr22 1.0 0.63889 0.45833 0.50000 1.0000 + Cr Cr23 1.0 0.59723 0.50000 0.50000 1.0000 + Cr Cr24 1.0 0.55556 0.54167 0.50000 1.0000 + Cr Cr25 1.0 0.05556 0.12500 0.50000 1.0000 + Cr Cr26 1.0 0.01389 0.16667 0.50000 1.0000 + Cr Cr27 1.0 0.97223 0.20833 0.50000 1.0000 + Cr Cr28 1.0 0.93056 0.25000 0.50000 1.0000 + Cr Cr29 1.0 0.88889 0.29167 0.50000 1.0000 + Cr Cr30 1.0 0.84723 0.33333 0.50000 1.0000 + Cr Cr31 1.0 0.80556 0.37500 0.50000 1.0000 + Cr Cr32 1.0 0.76389 0.41667 0.50000 1.0000 + Cr Cr33 1.0 0.72223 0.45833 0.50000 1.0000 + Cr Cr34 1.0 0.68056 0.50000 0.50000 1.0000 + Cr Cr35 1.0 0.63889 0.54167 0.50000 1.0000 + Cr Cr36 1.0 0.59723 0.58333 0.50000 1.0000 + Cr Cr37 1.0 0.09723 0.16667 0.50000 1.0000 + Cr Cr38 1.0 0.05556 0.20833 0.50000 1.0000 + Cr Cr39 1.0 0.01389 0.25000 0.50000 1.0000 + Cr Cr40 1.0 0.97223 0.29167 0.50000 1.0000 + Cr Cr41 1.0 0.93056 0.33333 0.50000 1.0000 + Cr Cr42 1.0 0.88889 0.37500 0.50000 1.0000 + Cr Cr43 1.0 0.84723 0.41667 0.50000 1.0000 + Cr Cr44 1.0 0.80556 0.45833 0.50000 1.0000 + Cr Cr45 1.0 0.76389 0.50000 0.50000 1.0000 + Cr Cr46 1.0 0.72223 0.54167 0.50000 1.0000 + Cr Cr47 1.0 0.68056 0.58333 0.50000 1.0000 + Cr Cr48 1.0 0.63889 0.62500 0.50000 1.0000 + Cr Cr49 1.0 0.13889 0.20833 0.50000 1.0000 + Cr Cr50 1.0 0.09723 0.25000 0.50000 1.0000 + Cr Cr51 1.0 0.05556 0.29167 0.50000 1.0000 + Cr Cr52 1.0 0.01389 0.33333 0.50000 1.0000 + Cr Cr53 1.0 0.97223 0.37500 0.50000 1.0000 + Cr Cr54 1.0 0.93056 0.41667 0.50000 1.0000 + Cr Cr55 1.0 0.88889 0.45833 0.50000 1.0000 + Cr Cr56 1.0 0.84723 0.50000 0.50000 1.0000 + Cr Cr57 1.0 0.80556 0.54167 0.50000 1.0000 + Cr Cr58 1.0 0.76389 0.58333 0.50000 1.0000 + Cr Cr59 1.0 0.72223 0.62500 0.50000 1.0000 + Cr Cr60 1.0 0.68056 0.66667 0.50000 1.0000 + Cr Cr61 1.0 0.18056 0.25000 0.50000 1.0000 + Cr Cr62 1.0 0.13889 0.29167 0.50000 1.0000 + Cr Cr63 1.0 0.09723 0.33333 0.50000 1.0000 + Cr Cr64 1.0 0.05556 0.37500 0.50000 1.0000 + Cr Cr65 1.0 0.01389 0.41667 0.50000 1.0000 + Cr Cr66 1.0 0.97223 0.45833 0.50000 1.0000 + Cr Cr67 1.0 0.93056 0.50000 0.50000 1.0000 + Cr Cr68 1.0 0.88889 0.54167 0.50000 1.0000 + Cr Cr69 1.0 0.84723 0.58333 0.50000 1.0000 + Cr Cr70 1.0 0.80556 0.62500 0.50000 1.0000 + Cr Cr71 1.0 0.76389 0.66667 0.50000 1.0000 + Cr Cr72 1.0 0.72223 0.70833 0.50000 1.0000 + Cr Cr73 1.0 0.22223 0.29167 0.50000 1.0000 + Cr Cr74 1.0 0.18056 0.33333 0.50000 1.0000 + Cr Cr75 1.0 0.13889 0.37500 0.50000 1.0000 + Cr Cr76 1.0 0.09723 0.41667 0.50000 1.0000 + Cr Cr77 1.0 0.05556 0.45833 0.50000 1.0000 + Cr Cr78 1.0 0.01389 0.50000 0.50000 1.0000 + Cr Cr79 1.0 0.97223 0.54167 0.50000 1.0000 + Cr Cr80 1.0 0.93056 0.58333 0.50000 1.0000 + Cr Cr81 1.0 0.88889 0.62500 0.50000 1.0000 + Cr Cr82 1.0 0.84723 0.66667 0.50000 1.0000 + Cr Cr83 1.0 0.80556 0.70833 0.50000 1.0000 + Cr Cr84 1.0 0.76389 0.75000 0.50000 1.0000 + Cr Cr85 1.0 0.26389 0.33333 0.50000 1.0000 + Cr Cr86 1.0 0.22223 0.37500 0.50000 1.0000 + Cr Cr87 1.0 0.18056 0.41667 0.50000 1.0000 + Cr Cr88 1.0 0.13889 0.45833 0.50000 1.0000 + Cr Cr89 1.0 0.09723 0.50000 0.50000 1.0000 + Cr Cr90 1.0 0.05556 0.54167 0.50000 1.0000 + Cr Cr91 1.0 0.01389 0.58333 0.50000 1.0000 + Cr Cr92 1.0 0.97223 0.62500 0.50000 1.0000 + Cr Cr93 1.0 0.93056 0.66667 0.50000 1.0000 + Cr Cr94 1.0 0.88889 0.70833 0.50000 1.0000 + Cr Cr95 1.0 0.84723 0.75000 0.50000 1.0000 + Cr Cr96 1.0 0.80556 0.79167 0.50000 1.0000 + Cr Cr97 1.0 0.30556 0.37500 0.50000 1.0000 + Cr Cr98 1.0 0.26389 0.41667 0.50000 1.0000 + Cr Cr99 1.0 0.22223 0.45833 0.50000 1.0000 + Cr Cr100 1.0 0.18056 0.50000 0.50000 1.0000 + Cr Cr101 1.0 0.13889 0.54167 0.50000 1.0000 + Cr Cr102 1.0 0.09723 0.58333 0.50000 1.0000 + Cr Cr103 1.0 0.05556 0.62500 0.50000 1.0000 + Cr Cr104 1.0 0.01389 0.66667 0.50000 1.0000 + Cr Cr105 1.0 0.97223 0.70833 0.50000 1.0000 + Cr Cr106 1.0 0.93056 0.75000 0.50000 1.0000 + Cr Cr107 1.0 0.88889 0.79167 0.50000 1.0000 + Cr Cr108 1.0 0.84723 0.83333 0.50000 1.0000 + Cr Cr109 1.0 0.34723 0.41667 0.50000 1.0000 + Cr Cr110 1.0 0.30556 0.45833 0.50000 1.0000 + Cr Cr111 1.0 0.26389 0.50000 0.50000 1.0000 + Cr Cr112 1.0 0.22223 0.54167 0.50000 1.0000 + Cr Cr113 1.0 0.18056 0.58333 0.50000 1.0000 + Cr Cr114 1.0 0.13889 0.62500 0.50000 1.0000 + Cr Cr115 1.0 0.09723 0.66667 0.50000 1.0000 + Cr Cr116 1.0 0.05556 0.70833 0.50000 1.0000 + Cr Cr117 1.0 0.01389 0.75000 0.50000 1.0000 + Cr Cr118 1.0 0.97223 0.79167 0.50000 1.0000 + Cr Cr119 1.0 0.93056 0.83333 0.50000 1.0000 + Cr Cr120 1.0 0.88889 0.87500 0.50000 1.0000 + Cr Cr121 1.0 0.38889 0.45833 0.50000 1.0000 + Cr Cr122 1.0 0.34723 0.50000 0.50000 1.0000 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0.50000 1.0000 + Cr Cr145 1.0 0.99305 0.02084 0.50000 1.0000 + Cr Cr146 1.0 0.95139 0.06251 0.50000 1.0000 + Cr Cr147 1.0 0.90972 0.10418 0.50000 1.0000 + Cr Cr148 1.0 0.86805 0.14584 0.50000 1.0000 + Cr Cr149 1.0 0.82639 0.18751 0.50000 1.0000 + Cr Cr150 1.0 0.78472 0.22918 0.50000 1.0000 + Cr Cr151 1.0 0.74305 0.27084 0.50000 1.0000 + Cr Cr152 1.0 0.70139 0.31251 0.50000 1.0000 + Cr Cr153 1.0 0.65972 0.35418 0.50000 1.0000 + Cr Cr154 1.0 0.61805 0.39584 0.50000 1.0000 + Cr Cr155 1.0 0.57639 0.43751 0.50000 1.0000 + Cr Cr156 1.0 0.53472 0.47918 0.50000 1.0000 + Cr Cr157 1.0 0.03472 0.06251 0.50000 1.0000 + Cr Cr158 1.0 0.99305 0.10418 0.50000 1.0000 + Cr Cr159 1.0 0.95139 0.14584 0.50000 1.0000 + Cr Cr160 1.0 0.90972 0.18751 0.50000 1.0000 + Cr Cr161 1.0 0.86805 0.22918 0.50000 1.0000 + Cr Cr162 1.0 0.82639 0.27084 0.50000 1.0000 + Cr Cr163 1.0 0.78472 0.31251 0.50000 1.0000 + Cr Cr164 1.0 0.74305 0.35418 0.50000 1.0000 + Cr Cr165 1.0 0.70139 0.39584 0.50000 1.0000 + Cr Cr166 1.0 0.65972 0.43751 0.50000 1.0000 + Cr Cr167 1.0 0.61805 0.47918 0.50000 1.0000 + Cr Cr168 1.0 0.57639 0.52084 0.50000 1.0000 + Cr Cr169 1.0 0.07639 0.10418 0.50000 1.0000 + Cr Cr170 1.0 0.03472 0.14584 0.50000 1.0000 + Cr Cr171 1.0 0.99305 0.18751 0.50000 1.0000 + Cr Cr172 1.0 0.95139 0.22918 0.50000 1.0000 + Cr Cr173 1.0 0.90972 0.27084 0.50000 1.0000 + Cr Cr174 1.0 0.86805 0.31251 0.50000 1.0000 + Cr Cr175 1.0 0.82639 0.35418 0.50000 1.0000 + Cr Cr176 1.0 0.78472 0.39584 0.50000 1.0000 + Cr Cr177 1.0 0.74305 0.43751 0.50000 1.0000 + Cr Cr178 1.0 0.70139 0.47918 0.50000 1.0000 + Cr Cr179 1.0 0.65972 0.52084 0.50000 1.0000 + Cr Cr180 1.0 0.61805 0.56251 0.50000 1.0000 + Cr Cr181 1.0 0.11805 0.14584 0.50000 1.0000 + Cr Cr182 1.0 0.07639 0.18751 0.50000 1.0000 + Cr Cr183 1.0 0.03472 0.22918 0.50000 1.0000 + Cr Cr184 1.0 0.99305 0.27084 0.50000 1.0000 + Cr Cr185 1.0 0.95139 0.31251 0.50000 1.0000 + Cr Cr186 1.0 0.90972 0.35418 0.50000 1.0000 + Cr Cr187 1.0 0.86805 0.39584 0.50000 1.0000 + Cr Cr188 1.0 0.82639 0.43751 0.50000 1.0000 + Cr Cr189 1.0 0.78472 0.47918 0.50000 1.0000 + Cr Cr190 1.0 0.74305 0.52084 0.50000 1.0000 + Cr Cr191 1.0 0.70139 0.56251 0.50000 1.0000 + Cr Cr192 1.0 0.65972 0.60418 0.50000 1.0000 + Cr Cr193 1.0 0.15972 0.18751 0.50000 1.0000 + Cr Cr194 1.0 0.11805 0.22918 0.50000 1.0000 + Cr Cr195 1.0 0.07639 0.27084 0.50000 1.0000 + Cr Cr196 1.0 0.03472 0.31251 0.50000 1.0000 + Cr Cr197 1.0 0.99305 0.35418 0.50000 1.0000 + Cr Cr198 1.0 0.95139 0.39584 0.50000 1.0000 + Cr Cr199 1.0 0.90972 0.43751 0.50000 1.0000 + Cr Cr200 1.0 0.86805 0.47918 0.50000 1.0000 + Cr Cr201 1.0 0.82639 0.52084 0.50000 1.0000 + Cr Cr202 1.0 0.78472 0.56251 0.50000 1.0000 + Cr Cr203 1.0 0.74305 0.60418 0.50000 1.0000 + Cr Cr204 1.0 0.70139 0.64584 0.50000 1.0000 + Cr Cr205 1.0 0.20139 0.22918 0.50000 1.0000 + Cr Cr206 1.0 0.15972 0.27084 0.50000 1.0000 + Cr Cr207 1.0 0.11805 0.31251 0.50000 1.0000 + Cr Cr208 1.0 0.07639 0.35418 0.50000 1.0000 + Cr Cr209 1.0 0.03472 0.39584 0.50000 1.0000 + Cr Cr210 1.0 0.99305 0.43751 0.50000 1.0000 + Cr Cr211 1.0 0.95139 0.47918 0.50000 1.0000 + Cr Cr212 1.0 0.90972 0.52084 0.50000 1.0000 + Cr Cr213 1.0 0.86805 0.56251 0.50000 1.0000 + Cr Cr214 1.0 0.82639 0.60418 0.50000 1.0000 + Cr Cr215 1.0 0.78472 0.64584 0.50000 1.0000 + Cr Cr216 1.0 0.74305 0.68751 0.50000 1.0000 + Cr Cr217 1.0 0.24305 0.27084 0.50000 1.0000 + Cr Cr218 1.0 0.20139 0.31251 0.50000 1.0000 + Cr Cr219 1.0 0.15972 0.35418 0.50000 1.0000 + Cr Cr220 1.0 0.11805 0.39584 0.50000 1.0000 + Cr Cr221 1.0 0.07639 0.43751 0.50000 1.0000 + Cr Cr222 1.0 0.03472 0.47918 0.50000 1.0000 + Cr Cr223 1.0 0.99305 0.52084 0.50000 1.0000 + Cr Cr224 1.0 0.95139 0.56251 0.50000 1.0000 + Cr Cr225 1.0 0.90972 0.60418 0.50000 1.0000 + Cr Cr226 1.0 0.86805 0.64584 0.50000 1.0000 + Cr Cr227 1.0 0.82639 0.68751 0.50000 1.0000 + Cr Cr228 1.0 0.78472 0.72918 0.50000 1.0000 + Cr Cr229 1.0 0.28472 0.31251 0.50000 1.0000 + Cr Cr230 1.0 0.24305 0.35418 0.50000 1.0000 + Cr Cr231 1.0 0.20139 0.39584 0.50000 1.0000 + Cr Cr232 1.0 0.15972 0.43751 0.50000 1.0000 + Cr Cr233 1.0 0.11805 0.47918 0.50000 1.0000 + Cr Cr234 1.0 0.07639 0.52084 0.50000 1.0000 + Cr Cr235 1.0 0.03472 0.56251 0.50000 1.0000 + Cr Cr236 1.0 0.99305 0.60418 0.50000 1.0000 + Cr Cr237 1.0 0.95139 0.64584 0.50000 1.0000 + Cr Cr238 1.0 0.90972 0.68751 0.50000 1.0000 + Cr Cr239 1.0 0.86805 0.72918 0.50000 1.0000 + Cr Cr240 1.0 0.82639 0.77084 0.50000 1.0000 + Cr Cr241 1.0 0.32639 0.35418 0.50000 1.0000 + Cr Cr242 1.0 0.28472 0.39584 0.50000 1.0000 + Cr Cr243 1.0 0.24305 0.43751 0.50000 1.0000 + Cr Cr244 1.0 0.20139 0.47918 0.50000 1.0000 + Cr Cr245 1.0 0.15972 0.52084 0.50000 1.0000 + Cr Cr246 1.0 0.11805 0.56251 0.50000 1.0000 + Cr Cr247 1.0 0.07639 0.60418 0.50000 1.0000 + Cr Cr248 1.0 0.03472 0.64584 0.50000 1.0000 + Cr Cr249 1.0 0.99305 0.68751 0.50000 1.0000 + Cr Cr250 1.0 0.95139 0.72918 0.50000 1.0000 + Cr Cr251 1.0 0.90972 0.77084 0.50000 1.0000 + Cr Cr252 1.0 0.86805 0.81251 0.50000 1.0000 + Cr Cr253 1.0 0.36805 0.39584 0.50000 1.0000 + Cr Cr254 1.0 0.32639 0.43751 0.50000 1.0000 + Cr Cr255 1.0 0.28472 0.47918 0.50000 1.0000 + Cr Cr256 1.0 0.24305 0.52084 0.50000 1.0000 + Cr Cr257 1.0 0.20139 0.56251 0.50000 1.0000 + Cr Cr258 1.0 0.15972 0.60418 0.50000 1.0000 + Cr Cr259 1.0 0.11805 0.64584 0.50000 1.0000 + Cr Cr260 1.0 0.07639 0.68751 0.50000 1.0000 + Cr Cr261 1.0 0.03472 0.72918 0.50000 1.0000 + Cr Cr262 1.0 0.99305 0.77084 0.50000 1.0000 + Cr Cr263 1.0 0.95139 0.81251 0.50000 1.0000 + Cr Cr264 1.0 0.90972 0.85418 0.50000 1.0000 + Cr Cr265 1.0 0.40972 0.43751 0.50000 1.0000 + Cr Cr266 1.0 0.36805 0.47918 0.50000 1.0000 + Cr Cr267 1.0 0.32639 0.52084 0.50000 1.0000 + Cr Cr268 1.0 0.28472 0.56251 0.50000 1.0000 + Cr Cr269 1.0 0.24305 0.60418 0.50000 1.0000 + Cr Cr270 1.0 0.20139 0.64584 0.50000 1.0000 + Cr Cr271 1.0 0.15972 0.68751 0.50000 1.0000 + Cr Cr272 1.0 0.11805 0.72918 0.50000 1.0000 + Cr Cr273 1.0 0.07639 0.77084 0.50000 1.0000 + Cr Cr274 1.0 0.03472 0.81251 0.50000 1.0000 + Cr Cr275 1.0 0.99305 0.85418 0.50000 1.0000 + Cr Cr276 1.0 0.95139 0.89584 0.50000 1.0000 + Cr Cr277 1.0 0.45139 0.47918 0.50000 1.0000 + Cr Cr278 1.0 0.40972 0.52084 0.50000 1.0000 + Cr Cr279 1.0 0.36805 0.56251 0.50000 1.0000 + Cr Cr280 1.0 0.32639 0.60418 0.50000 1.0000 + Cr Cr281 1.0 0.28472 0.64584 0.50000 1.0000 + Cr Cr282 1.0 0.24305 0.68751 0.50000 1.0000 + Cr Cr283 1.0 0.20139 0.72918 0.50000 1.0000 + Cr Cr284 1.0 0.15972 0.77084 0.50000 1.0000 + Cr Cr285 1.0 0.11805 0.81251 0.50000 1.0000 + Cr Cr286 1.0 0.07639 0.85418 0.50000 1.0000 + Cr Cr287 1.0 0.03472 0.89584 0.50000 1.0000 + Cr Cr288 1.0 0.99305 0.93751 0.50000 1.0000 + Cr Cr289 1.0 0.99305 0.06249 0.50000 1.0000 + Cr Cr290 1.0 0.95139 0.10416 0.50000 1.0000 + Cr Cr291 1.0 0.90972 0.14582 0.50000 1.0000 + Cr Cr292 1.0 0.86805 0.18749 0.50000 1.0000 + Cr Cr293 1.0 0.82639 0.22916 0.50000 1.0000 + Cr Cr294 1.0 0.78472 0.27082 0.50000 1.0000 + Cr Cr295 1.0 0.74305 0.31249 0.50000 1.0000 + Cr Cr296 1.0 0.70139 0.35416 0.50000 1.0000 + Cr Cr297 1.0 0.65972 0.39582 0.50000 1.0000 + Cr Cr298 1.0 0.61805 0.43749 0.50000 1.0000 + Cr Cr299 1.0 0.57639 0.47916 0.50000 1.0000 + Cr Cr300 1.0 0.53472 0.52082 0.50000 1.0000 + Cr Cr301 1.0 0.03472 0.10416 0.50000 1.0000 + Cr Cr302 1.0 0.99305 0.14582 0.50000 1.0000 + Cr Cr303 1.0 0.95139 0.18749 0.50000 1.0000 + Cr Cr304 1.0 0.90972 0.22916 0.50000 1.0000 + Cr Cr305 1.0 0.86805 0.27082 0.50000 1.0000 + Cr Cr306 1.0 0.82639 0.31249 0.50000 1.0000 + Cr Cr307 1.0 0.78472 0.35416 0.50000 1.0000 + Cr Cr308 1.0 0.74305 0.39582 0.50000 1.0000 + Cr Cr309 1.0 0.70139 0.43749 0.50000 1.0000 + Cr Cr310 1.0 0.65972 0.47916 0.50000 1.0000 + Cr Cr311 1.0 0.61805 0.52082 0.50000 1.0000 + Cr Cr312 1.0 0.57639 0.56249 0.50000 1.0000 + Cr Cr313 1.0 0.07639 0.14582 0.50000 1.0000 + Cr Cr314 1.0 0.03472 0.18749 0.50000 1.0000 + Cr Cr315 1.0 0.99305 0.22916 0.50000 1.0000 + Cr Cr316 1.0 0.95139 0.27082 0.50000 1.0000 + Cr Cr317 1.0 0.90972 0.31249 0.50000 1.0000 + Cr Cr318 1.0 0.86805 0.35416 0.50000 1.0000 + Cr Cr319 1.0 0.82639 0.39582 0.50000 1.0000 + Cr Cr320 1.0 0.78472 0.43749 0.50000 1.0000 + Cr Cr321 1.0 0.74305 0.47916 0.50000 1.0000 + Cr Cr322 1.0 0.70139 0.52082 0.50000 1.0000 + Cr Cr323 1.0 0.65972 0.56249 0.50000 1.0000 + Cr Cr324 1.0 0.61805 0.60416 0.50000 1.0000 + Cr Cr325 1.0 0.11805 0.18749 0.50000 1.0000 + Cr Cr326 1.0 0.07639 0.22916 0.50000 1.0000 + Cr Cr327 1.0 0.03472 0.27082 0.50000 1.0000 + Cr Cr328 1.0 0.99305 0.31249 0.50000 1.0000 + Cr Cr329 1.0 0.95139 0.35416 0.50000 1.0000 + Cr Cr330 1.0 0.90972 0.39582 0.50000 1.0000 + Cr Cr331 1.0 0.86805 0.43749 0.50000 1.0000 + Cr Cr332 1.0 0.82639 0.47916 0.50000 1.0000 + Cr Cr333 1.0 0.78472 0.52082 0.50000 1.0000 + Cr Cr334 1.0 0.74305 0.56249 0.50000 1.0000 + Cr Cr335 1.0 0.70139 0.60416 0.50000 1.0000 + Cr Cr336 1.0 0.65972 0.64582 0.50000 1.0000 + Cr Cr337 1.0 0.15972 0.22916 0.50000 1.0000 + Cr Cr338 1.0 0.11805 0.27082 0.50000 1.0000 + Cr Cr339 1.0 0.07639 0.31249 0.50000 1.0000 + Cr Cr340 1.0 0.03472 0.35416 0.50000 1.0000 + Cr Cr341 1.0 0.99305 0.39582 0.50000 1.0000 + Cr Cr342 1.0 0.95139 0.43749 0.50000 1.0000 + Cr Cr343 1.0 0.90972 0.47916 0.50000 1.0000 + Cr Cr344 1.0 0.86805 0.52082 0.50000 1.0000 + Cr Cr345 1.0 0.82639 0.56249 0.50000 1.0000 + Cr Cr346 1.0 0.78472 0.60416 0.50000 1.0000 + Cr Cr347 1.0 0.74305 0.64582 0.50000 1.0000 + Cr Cr348 1.0 0.70139 0.68749 0.50000 1.0000 + Cr Cr349 1.0 0.20139 0.27082 0.50000 1.0000 + Cr Cr350 1.0 0.15972 0.31249 0.50000 1.0000 + Cr Cr351 1.0 0.11805 0.35416 0.50000 1.0000 + Cr Cr352 1.0 0.07639 0.39582 0.50000 1.0000 + Cr Cr353 1.0 0.03472 0.43749 0.50000 1.0000 + Cr Cr354 1.0 0.99305 0.47916 0.50000 1.0000 + Cr Cr355 1.0 0.95139 0.52082 0.50000 1.0000 + Cr Cr356 1.0 0.90972 0.56249 0.50000 1.0000 + Cr Cr357 1.0 0.86805 0.60416 0.50000 1.0000 + Cr Cr358 1.0 0.82639 0.64582 0.50000 1.0000 + Cr Cr359 1.0 0.78472 0.68749 0.50000 1.0000 + Cr Cr360 1.0 0.74305 0.72916 0.50000 1.0000 + Cr Cr361 1.0 0.24305 0.31249 0.50000 1.0000 + Cr Cr362 1.0 0.20139 0.35416 0.50000 1.0000 + Cr Cr363 1.0 0.15972 0.39582 0.50000 1.0000 + Cr Cr364 1.0 0.11805 0.43749 0.50000 1.0000 + Cr Cr365 1.0 0.07639 0.47916 0.50000 1.0000 + Cr Cr366 1.0 0.03472 0.52082 0.50000 1.0000 + Cr Cr367 1.0 0.99305 0.56249 0.50000 1.0000 + Cr Cr368 1.0 0.95139 0.60416 0.50000 1.0000 + Cr Cr369 1.0 0.90972 0.64582 0.50000 1.0000 + Cr Cr370 1.0 0.86805 0.68749 0.50000 1.0000 + Cr Cr371 1.0 0.82639 0.72916 0.50000 1.0000 + Cr Cr372 1.0 0.78472 0.77082 0.50000 1.0000 + Cr Cr373 1.0 0.28472 0.35416 0.50000 1.0000 + Cr Cr374 1.0 0.24305 0.39582 0.50000 1.0000 + Cr Cr375 1.0 0.20139 0.43749 0.50000 1.0000 + Cr Cr376 1.0 0.15972 0.47916 0.50000 1.0000 + Cr Cr377 1.0 0.11805 0.52082 0.50000 1.0000 + Cr Cr378 1.0 0.07639 0.56249 0.50000 1.0000 + Cr Cr379 1.0 0.03472 0.60416 0.50000 1.0000 + Cr Cr380 1.0 0.99305 0.64582 0.50000 1.0000 + Cr Cr381 1.0 0.95139 0.68749 0.50000 1.0000 + Cr Cr382 1.0 0.90972 0.72916 0.50000 1.0000 + Cr Cr383 1.0 0.86805 0.77082 0.50000 1.0000 + Cr Cr384 1.0 0.82639 0.81249 0.50000 1.0000 + Cr Cr385 1.0 0.32639 0.39582 0.50000 1.0000 + Cr Cr386 1.0 0.28472 0.43749 0.50000 1.0000 + Cr Cr387 1.0 0.24305 0.47916 0.50000 1.0000 + Cr Cr388 1.0 0.20139 0.52082 0.50000 1.0000 + Cr Cr389 1.0 0.15972 0.56249 0.50000 1.0000 + Cr Cr390 1.0 0.11805 0.60416 0.50000 1.0000 + Cr Cr391 1.0 0.07639 0.64582 0.50000 1.0000 + Cr Cr392 1.0 0.03472 0.68749 0.50000 1.0000 + Cr Cr393 1.0 0.99305 0.72916 0.50000 1.0000 + Cr Cr394 1.0 0.95139 0.77082 0.50000 1.0000 + Cr Cr395 1.0 0.90972 0.81249 0.50000 1.0000 + Cr Cr396 1.0 0.86805 0.85416 0.50000 1.0000 + Cr Cr397 1.0 0.36805 0.43749 0.50000 1.0000 + Cr Cr398 1.0 0.32639 0.47916 0.50000 1.0000 + Cr Cr399 1.0 0.28472 0.52082 0.50000 1.0000 + Cr Cr400 1.0 0.24305 0.56249 0.50000 1.0000 + Cr Cr401 1.0 0.20139 0.60416 0.50000 1.0000 + Cr Cr402 1.0 0.15972 0.64582 0.50000 1.0000 + Cr Cr403 1.0 0.11805 0.68749 0.50000 1.0000 + Cr Cr404 1.0 0.07639 0.72916 0.50000 1.0000 + Cr Cr405 1.0 0.03472 0.77082 0.50000 1.0000 + Cr Cr406 1.0 0.99305 0.81249 0.50000 1.0000 + Cr Cr407 1.0 0.95139 0.85416 0.50000 1.0000 + Cr Cr408 1.0 0.90972 0.89582 0.50000 1.0000 + Cr Cr409 1.0 0.40972 0.47916 0.50000 1.0000 + Cr Cr410 1.0 0.36805 0.52082 0.50000 1.0000 + Cr Cr411 1.0 0.32639 0.56249 0.50000 1.0000 + Cr Cr412 1.0 0.28472 0.60416 0.50000 1.0000 + Cr Cr413 1.0 0.24305 0.64582 0.50000 1.0000 + Cr Cr414 1.0 0.20139 0.68749 0.50000 1.0000 + Cr Cr415 1.0 0.15972 0.72916 0.50000 1.0000 + Cr Cr416 1.0 0.11805 0.77082 0.50000 1.0000 + Cr Cr417 1.0 0.07639 0.81249 0.50000 1.0000 + Cr Cr418 1.0 0.03472 0.85416 0.50000 1.0000 + Cr Cr419 1.0 0.99305 0.89582 0.50000 1.0000 + Cr Cr420 1.0 0.95139 0.93749 0.50000 1.0000 + Cr Cr421 1.0 0.45139 0.52082 0.50000 1.0000 + Cr Cr422 1.0 0.40972 0.56249 0.50000 1.0000 + Cr Cr423 1.0 0.36805 0.60416 0.50000 1.0000 + Cr Cr424 1.0 0.32639 0.64582 0.50000 1.0000 + Cr Cr425 1.0 0.28472 0.68749 0.50000 1.0000 + Cr Cr426 1.0 0.24305 0.72916 0.50000 1.0000 + Cr Cr427 1.0 0.20139 0.77082 0.50000 1.0000 + Cr Cr428 1.0 0.15972 0.81249 0.50000 1.0000 + Cr Cr429 1.0 0.11805 0.85416 0.50000 1.0000 + Cr Cr430 1.0 0.07639 0.89582 0.50000 1.0000 + Cr Cr431 1.0 0.03472 0.93749 0.50000 1.0000 + Cr Cr432 1.0 0.99305 0.97916 0.50000 1.0000 + O O1 1.0 0.00632 0.01896 0.66046 1.0000 + O O2 1.0 0.96465 0.06062 0.66046 1.0000 + O O3 1.0 0.92299 0.10229 0.66046 1.0000 + O O4 1.0 0.88132 0.14396 0.66046 1.0000 + O O5 1.0 0.83965 0.18562 0.66046 1.0000 + O O6 1.0 0.79799 0.22729 0.66046 1.0000 + O O7 1.0 0.75632 0.26896 0.66046 1.0000 + O O8 1.0 0.71465 0.31062 0.66046 1.0000 + O O9 1.0 0.67299 0.35229 0.66046 1.0000 + O O10 1.0 0.63132 0.39396 0.66046 1.0000 + O O11 1.0 0.58965 0.43562 0.66046 1.0000 + O O12 1.0 0.54799 0.47729 0.66046 1.0000 + O O13 1.0 0.04799 0.06062 0.66046 1.0000 + O O14 1.0 0.00632 0.10229 0.66046 1.0000 + O O15 1.0 0.96465 0.14396 0.66046 1.0000 + O O16 1.0 0.92299 0.18562 0.66046 1.0000 + O O17 1.0 0.88132 0.22729 0.66046 1.0000 + O O18 1.0 0.83965 0.26896 0.66046 1.0000 + O O19 1.0 0.79799 0.31062 0.66046 1.0000 + O O20 1.0 0.75632 0.35229 0.66046 1.0000 + O O21 1.0 0.71465 0.39396 0.66046 1.0000 + O O22 1.0 0.67299 0.43562 0.66046 1.0000 + O O23 1.0 0.63132 0.47729 0.66046 1.0000 + O O24 1.0 0.58965 0.51896 0.66046 1.0000 + O O25 1.0 0.08965 0.10229 0.66046 1.0000 + O O26 1.0 0.04799 0.14396 0.66046 1.0000 + O O27 1.0 0.00632 0.18562 0.66046 1.0000 + O O28 1.0 0.96465 0.22729 0.66046 1.0000 + O O29 1.0 0.92299 0.26896 0.66046 1.0000 + O O30 1.0 0.88132 0.31062 0.66046 1.0000 + O O31 1.0 0.83965 0.35229 0.66046 1.0000 + O O32 1.0 0.79799 0.39396 0.66046 1.0000 + O O33 1.0 0.75632 0.43562 0.66046 1.0000 + O O34 1.0 0.71465 0.47729 0.66046 1.0000 + O O35 1.0 0.67299 0.51896 0.66046 1.0000 + O O36 1.0 0.63132 0.56062 0.66046 1.0000 + O O37 1.0 0.13132 0.14396 0.66046 1.0000 + O O38 1.0 0.08965 0.18562 0.66046 1.0000 + O O39 1.0 0.04799 0.22729 0.66046 1.0000 + O O40 1.0 0.00632 0.26896 0.66046 1.0000 + O O41 1.0 0.96465 0.31062 0.66046 1.0000 + O O42 1.0 0.92299 0.35229 0.66046 1.0000 + O O43 1.0 0.88132 0.39396 0.66046 1.0000 + O O44 1.0 0.83965 0.43562 0.66046 1.0000 + O O45 1.0 0.79799 0.47729 0.66046 1.0000 + O O46 1.0 0.75632 0.51896 0.66046 1.0000 + O O47 1.0 0.71465 0.56062 0.66046 1.0000 + O O48 1.0 0.67299 0.60229 0.66046 1.0000 + O O49 1.0 0.17299 0.18562 0.66046 1.0000 + O O50 1.0 0.13132 0.22729 0.66046 1.0000 + O O51 1.0 0.08965 0.26896 0.66046 1.0000 + O O52 1.0 0.04799 0.31062 0.66046 1.0000 + O O53 1.0 0.00632 0.35229 0.66046 1.0000 + O O54 1.0 0.96465 0.39396 0.66046 1.0000 + O O55 1.0 0.92299 0.43562 0.66046 1.0000 + O O56 1.0 0.88132 0.47729 0.66046 1.0000 + O O57 1.0 0.83965 0.51896 0.66046 1.0000 + O O58 1.0 0.79799 0.56062 0.66046 1.0000 + O O59 1.0 0.75632 0.60229 0.66046 1.0000 + O O60 1.0 0.71465 0.64396 0.66046 1.0000 + O O61 1.0 0.21465 0.22729 0.66046 1.0000 + O O62 1.0 0.17299 0.26896 0.66046 1.0000 + O O63 1.0 0.13132 0.31062 0.66046 1.0000 + O O64 1.0 0.08965 0.35229 0.66046 1.0000 + O O65 1.0 0.04799 0.39396 0.66046 1.0000 + O O66 1.0 0.00632 0.43562 0.66046 1.0000 + O O67 1.0 0.96465 0.47729 0.66046 1.0000 + O O68 1.0 0.92299 0.51896 0.66046 1.0000 + O O69 1.0 0.88132 0.56062 0.66046 1.0000 + O O70 1.0 0.83965 0.60229 0.66046 1.0000 + O O71 1.0 0.79799 0.64396 0.66046 1.0000 + O O72 1.0 0.75632 0.68562 0.66046 1.0000 + O O73 1.0 0.25632 0.26896 0.66046 1.0000 + O O74 1.0 0.21465 0.31062 0.66046 1.0000 + O O75 1.0 0.17299 0.35229 0.66046 1.0000 + O O76 1.0 0.13132 0.39396 0.66046 1.0000 + O O77 1.0 0.08965 0.43562 0.66046 1.0000 + O O78 1.0 0.04799 0.47729 0.66046 1.0000 + O O79 1.0 0.00632 0.51896 0.66046 1.0000 + O O80 1.0 0.96465 0.56062 0.66046 1.0000 + O O81 1.0 0.92299 0.60229 0.66046 1.0000 + O O82 1.0 0.88132 0.64396 0.66046 1.0000 + O O83 1.0 0.83965 0.68562 0.66046 1.0000 + O O84 1.0 0.79799 0.72729 0.66046 1.0000 + O O85 1.0 0.29799 0.31062 0.66046 1.0000 + O O86 1.0 0.25632 0.35229 0.66046 1.0000 + O O87 1.0 0.21465 0.39396 0.66046 1.0000 + O O88 1.0 0.17299 0.43562 0.66046 1.0000 + O O89 1.0 0.13132 0.47729 0.66046 1.0000 + O O90 1.0 0.08965 0.51896 0.66046 1.0000 + O O91 1.0 0.04799 0.56062 0.66046 1.0000 + O O92 1.0 0.00632 0.60229 0.66046 1.0000 + O O93 1.0 0.96465 0.64396 0.66046 1.0000 + O O94 1.0 0.92299 0.68562 0.66046 1.0000 + O O95 1.0 0.88132 0.72729 0.66046 1.0000 + O O96 1.0 0.83965 0.76896 0.66046 1.0000 + O O97 1.0 0.33965 0.35229 0.66046 1.0000 + O O98 1.0 0.29799 0.39396 0.66046 1.0000 + O O99 1.0 0.25632 0.43562 0.66046 1.0000 + O O100 1.0 0.21465 0.47729 0.66046 1.0000 + O O101 1.0 0.17299 0.51896 0.66046 1.0000 + O O102 1.0 0.13132 0.56062 0.66046 1.0000 + O O103 1.0 0.08965 0.60229 0.66046 1.0000 + O O104 1.0 0.04799 0.64396 0.66046 1.0000 + O O105 1.0 0.00632 0.68562 0.66046 1.0000 + O O106 1.0 0.96465 0.72729 0.66046 1.0000 + O O107 1.0 0.92299 0.76896 0.66046 1.0000 + O O108 1.0 0.88132 0.81062 0.66046 1.0000 + O O109 1.0 0.38132 0.39396 0.66046 1.0000 + O O110 1.0 0.33965 0.43562 0.66046 1.0000 + O O111 1.0 0.29799 0.47729 0.66046 1.0000 + O O112 1.0 0.25632 0.51896 0.66046 1.0000 + O O113 1.0 0.21465 0.56062 0.66046 1.0000 + O O114 1.0 0.17299 0.60229 0.66046 1.0000 + O O115 1.0 0.13132 0.64396 0.66046 1.0000 + O O116 1.0 0.08965 0.68562 0.66046 1.0000 + O O117 1.0 0.04799 0.72729 0.66046 1.0000 + O O118 1.0 0.00632 0.76896 0.66046 1.0000 + O O119 1.0 0.96465 0.81062 0.66046 1.0000 + O O120 1.0 0.92299 0.85229 0.66046 1.0000 + O O121 1.0 0.42299 0.43562 0.66046 1.0000 + O O122 1.0 0.38132 0.47729 0.66046 1.0000 + O O123 1.0 0.33965 0.51896 0.66046 1.0000 + O O124 1.0 0.29799 0.56062 0.66046 1.0000 + O O125 1.0 0.25632 0.60229 0.66046 1.0000 + O O126 1.0 0.21465 0.64396 0.66046 1.0000 + O O127 1.0 0.17299 0.68562 0.66046 1.0000 + O O128 1.0 0.13132 0.72729 0.66046 1.0000 + O O129 1.0 0.08965 0.76896 0.66046 1.0000 + O O130 1.0 0.04799 0.81062 0.66046 1.0000 + O O131 1.0 0.00632 0.85229 0.66046 1.0000 + O O132 1.0 0.96465 0.89396 0.66046 1.0000 + O O133 1.0 0.46465 0.47729 0.66046 1.0000 + O O134 1.0 0.42299 0.51896 0.66046 1.0000 + O O135 1.0 0.38132 0.56062 0.66046 1.0000 + O O136 1.0 0.33965 0.60229 0.66046 1.0000 + O O137 1.0 0.29799 0.64396 0.66046 1.0000 + O O138 1.0 0.25632 0.68562 0.66046 1.0000 + O O139 1.0 0.21465 0.72729 0.66046 1.0000 + O O140 1.0 0.17299 0.76896 0.66046 1.0000 + O O141 1.0 0.13132 0.81062 0.66046 1.0000 + O O142 1.0 0.08965 0.85229 0.66046 1.0000 + O O143 1.0 0.04799 0.89396 0.66046 1.0000 + O O144 1.0 0.00632 0.93562 0.66046 1.0000 + O O145 1.0 0.00632 0.06438 0.66046 1.0000 + O O146 1.0 0.96465 0.10604 0.66046 1.0000 + O O147 1.0 0.92299 0.14771 0.66046 1.0000 + O O148 1.0 0.88132 0.18938 0.66046 1.0000 + O O149 1.0 0.83965 0.23104 0.66046 1.0000 + O O150 1.0 0.79799 0.27271 0.66046 1.0000 + O O151 1.0 0.75632 0.31438 0.66046 1.0000 + O O152 1.0 0.71465 0.35604 0.66046 1.0000 + O O153 1.0 0.67299 0.39771 0.66046 1.0000 + O O154 1.0 0.63132 0.43938 0.66046 1.0000 + O O155 1.0 0.58965 0.48104 0.66046 1.0000 + O O156 1.0 0.54799 0.52271 0.66046 1.0000 + O O157 1.0 0.04799 0.10604 0.66046 1.0000 + O O158 1.0 0.00632 0.14771 0.66046 1.0000 + O O159 1.0 0.96465 0.18938 0.66046 1.0000 + O O160 1.0 0.92299 0.23104 0.66046 1.0000 + O O161 1.0 0.88132 0.27271 0.66046 1.0000 + O O162 1.0 0.83965 0.31438 0.66046 1.0000 + O O163 1.0 0.79799 0.35604 0.66046 1.0000 + O O164 1.0 0.75632 0.39771 0.66046 1.0000 + O O165 1.0 0.71465 0.43938 0.66046 1.0000 + O O166 1.0 0.67299 0.48104 0.66046 1.0000 + O O167 1.0 0.63132 0.52271 0.66046 1.0000 + O O168 1.0 0.58965 0.56438 0.66046 1.0000 + O O169 1.0 0.08965 0.14771 0.66046 1.0000 + O O170 1.0 0.04799 0.18938 0.66046 1.0000 + O O171 1.0 0.00632 0.23104 0.66046 1.0000 + O O172 1.0 0.96465 0.27271 0.66046 1.0000 + O O173 1.0 0.92299 0.31438 0.66046 1.0000 + O O174 1.0 0.88132 0.35604 0.66046 1.0000 + O O175 1.0 0.83965 0.39771 0.66046 1.0000 + O O176 1.0 0.79799 0.43938 0.66046 1.0000 + O O177 1.0 0.75632 0.48104 0.66046 1.0000 + O O178 1.0 0.71465 0.52271 0.66046 1.0000 + O O179 1.0 0.67299 0.56438 0.66046 1.0000 + O O180 1.0 0.63132 0.60604 0.66046 1.0000 + O O181 1.0 0.13132 0.18938 0.66046 1.0000 + O O182 1.0 0.08965 0.23104 0.66046 1.0000 + O O183 1.0 0.04799 0.27271 0.66046 1.0000 + O O184 1.0 0.00632 0.31438 0.66046 1.0000 + O O185 1.0 0.96465 0.35604 0.66046 1.0000 + O O186 1.0 0.92299 0.39771 0.66046 1.0000 + O O187 1.0 0.88132 0.43938 0.66046 1.0000 + O O188 1.0 0.83965 0.48104 0.66046 1.0000 + O O189 1.0 0.79799 0.52271 0.66046 1.0000 + O O190 1.0 0.75632 0.56438 0.66046 1.0000 + O O191 1.0 0.71465 0.60604 0.66046 1.0000 + O O192 1.0 0.67299 0.64771 0.66046 1.0000 + O O193 1.0 0.17299 0.23104 0.66046 1.0000 + O O194 1.0 0.13132 0.27271 0.66046 1.0000 + O O195 1.0 0.08965 0.31438 0.66046 1.0000 + O O196 1.0 0.04799 0.35604 0.66046 1.0000 + O O197 1.0 0.00632 0.39771 0.66046 1.0000 + O O198 1.0 0.96465 0.43938 0.66046 1.0000 + O O199 1.0 0.92299 0.48104 0.66046 1.0000 + O O200 1.0 0.88132 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0.36805 0.02082 0.50000 1.0000 + Cr Cr777 1.0 0.32639 0.06249 0.50000 1.0000 + Cr Cr778 1.0 0.28472 0.10416 0.50000 1.0000 + Cr Cr779 1.0 0.24305 0.14582 0.50000 1.0000 + Cr Cr780 1.0 0.20139 0.18749 0.50000 1.0000 + Cr Cr781 1.0 0.70139 0.77082 0.50000 1.0000 + Cr Cr782 1.0 0.65972 0.81249 0.50000 1.0000 + Cr Cr783 1.0 0.61805 0.85416 0.50000 1.0000 + Cr Cr784 1.0 0.57639 0.89582 0.50000 1.0000 + Cr Cr785 1.0 0.53472 0.93749 0.50000 1.0000 + Cr Cr786 1.0 0.49305 0.97916 0.50000 1.0000 + Cr Cr787 1.0 0.45139 0.02082 0.50000 1.0000 + Cr Cr788 1.0 0.40972 0.06249 0.50000 1.0000 + Cr Cr789 1.0 0.36805 0.10416 0.50000 1.0000 + Cr Cr790 1.0 0.32639 0.14582 0.50000 1.0000 + Cr Cr791 1.0 0.28472 0.18749 0.50000 1.0000 + Cr Cr792 1.0 0.24305 0.22916 0.50000 1.0000 + Cr Cr793 1.0 0.74305 0.81249 0.50000 1.0000 + Cr Cr794 1.0 0.70139 0.85416 0.50000 1.0000 + Cr Cr795 1.0 0.65972 0.89582 0.50000 1.0000 + Cr Cr796 1.0 0.61805 0.93749 0.50000 1.0000 + Cr Cr797 1.0 0.57639 0.97916 0.50000 1.0000 + Cr Cr798 1.0 0.53472 0.02082 0.50000 1.0000 + Cr Cr799 1.0 0.49305 0.06249 0.50000 1.0000 + Cr Cr800 1.0 0.45139 0.10416 0.50000 1.0000 + Cr Cr801 1.0 0.40972 0.14582 0.50000 1.0000 + Cr Cr802 1.0 0.36805 0.18749 0.50000 1.0000 + Cr Cr803 1.0 0.32639 0.22916 0.50000 1.0000 + Cr Cr804 1.0 0.28472 0.27082 0.50000 1.0000 + Cr Cr805 1.0 0.78472 0.85416 0.50000 1.0000 + Cr Cr806 1.0 0.74305 0.89582 0.50000 1.0000 + Cr Cr807 1.0 0.70139 0.93749 0.50000 1.0000 + Cr Cr808 1.0 0.65972 0.97916 0.50000 1.0000 + Cr Cr809 1.0 0.61805 0.02082 0.50000 1.0000 + Cr Cr810 1.0 0.57639 0.06249 0.50000 1.0000 + Cr Cr811 1.0 0.53472 0.10416 0.50000 1.0000 + Cr Cr812 1.0 0.49305 0.14582 0.50000 1.0000 + Cr Cr813 1.0 0.45139 0.18749 0.50000 1.0000 + Cr Cr814 1.0 0.40972 0.22916 0.50000 1.0000 + Cr Cr815 1.0 0.36805 0.27082 0.50000 1.0000 + Cr Cr816 1.0 0.32639 0.31249 0.50000 1.0000 + Cr Cr817 1.0 0.82639 0.89582 0.50000 1.0000 + Cr Cr818 1.0 0.78472 0.93749 0.50000 1.0000 + Cr Cr819 1.0 0.74305 0.97916 0.50000 1.0000 + Cr Cr820 1.0 0.70139 0.02082 0.50000 1.0000 + Cr Cr821 1.0 0.65972 0.06249 0.50000 1.0000 + Cr Cr822 1.0 0.61805 0.10416 0.50000 1.0000 + Cr Cr823 1.0 0.57639 0.14582 0.50000 1.0000 + Cr Cr824 1.0 0.53472 0.18749 0.50000 1.0000 + Cr Cr825 1.0 0.49305 0.22916 0.50000 1.0000 + Cr Cr826 1.0 0.45139 0.27082 0.50000 1.0000 + Cr Cr827 1.0 0.40972 0.31249 0.50000 1.0000 + Cr Cr828 1.0 0.36805 0.35416 0.50000 1.0000 + Cr Cr829 1.0 0.86805 0.93749 0.50000 1.0000 + Cr Cr830 1.0 0.82639 0.97916 0.50000 1.0000 + Cr Cr831 1.0 0.78472 0.02082 0.50000 1.0000 + Cr Cr832 1.0 0.74305 0.06249 0.50000 1.0000 + Cr Cr833 1.0 0.70139 0.10416 0.50000 1.0000 + Cr Cr834 1.0 0.65972 0.14582 0.50000 1.0000 + Cr Cr835 1.0 0.61805 0.18749 0.50000 1.0000 + Cr Cr836 1.0 0.57639 0.22916 0.50000 1.0000 + Cr Cr837 1.0 0.53472 0.27082 0.50000 1.0000 + Cr Cr838 1.0 0.49305 0.31249 0.50000 1.0000 + Cr Cr839 1.0 0.45139 0.35416 0.50000 1.0000 + Cr Cr840 1.0 0.40972 0.39582 0.50000 1.0000 + Cr Cr841 1.0 0.90972 0.97916 0.50000 1.0000 + Cr Cr842 1.0 0.86805 0.02082 0.50000 1.0000 + Cr Cr843 1.0 0.82639 0.06249 0.50000 1.0000 + Cr Cr844 1.0 0.78472 0.10416 0.50000 1.0000 + Cr Cr845 1.0 0.74305 0.14582 0.50000 1.0000 + Cr Cr846 1.0 0.70139 0.18749 0.50000 1.0000 + Cr Cr847 1.0 0.65972 0.22916 0.50000 1.0000 + Cr Cr848 1.0 0.61805 0.27082 0.50000 1.0000 + Cr Cr849 1.0 0.57639 0.31249 0.50000 1.0000 + Cr Cr850 1.0 0.53472 0.35416 0.50000 1.0000 + Cr Cr851 1.0 0.49305 0.39582 0.50000 1.0000 + Cr Cr852 1.0 0.45139 0.43749 0.50000 1.0000 + Cr Cr853 1.0 0.95139 0.02082 0.50000 1.0000 + Cr Cr854 1.0 0.90972 0.06249 0.50000 1.0000 + Cr Cr855 1.0 0.86805 0.10416 0.50000 1.0000 + Cr Cr856 1.0 0.82639 0.14582 0.50000 1.0000 + Cr Cr857 1.0 0.78472 0.18749 0.50000 1.0000 + Cr Cr858 1.0 0.74305 0.22916 0.50000 1.0000 + Cr Cr859 1.0 0.70139 0.27082 0.50000 1.0000 + Cr Cr860 1.0 0.65972 0.31249 0.50000 1.0000 + Cr Cr861 1.0 0.61805 0.35416 0.50000 1.0000 + Cr Cr862 1.0 0.57639 0.39582 0.50000 1.0000 + Cr Cr863 1.0 0.53472 0.43749 0.50000 1.0000 + Cr Cr864 1.0 0.49305 0.47916 0.50000 1.0000 + O O1153 1.0 0.50632 0.51896 0.66046 1.0000 + O O1154 1.0 0.46465 0.56062 0.66046 1.0000 + O O1155 1.0 0.42299 0.60229 0.66046 1.0000 + O O1156 1.0 0.38132 0.64396 0.66046 1.0000 + O O1157 1.0 0.33965 0.68562 0.66046 1.0000 + O O1158 1.0 0.29799 0.72729 0.66046 1.0000 + O O1159 1.0 0.25632 0.76896 0.66046 1.0000 + O O1160 1.0 0.21465 0.81062 0.66046 1.0000 + O O1161 1.0 0.17299 0.85229 0.66046 1.0000 + O O1162 1.0 0.13132 0.89396 0.66046 1.0000 + O O1163 1.0 0.08965 0.93562 0.66046 1.0000 + O O1164 1.0 0.04799 0.97729 0.66046 1.0000 + O O1165 1.0 0.54799 0.56062 0.66046 1.0000 + O O1166 1.0 0.50632 0.60229 0.66046 1.0000 + O O1167 1.0 0.46465 0.64396 0.66046 1.0000 + O O1168 1.0 0.42299 0.68562 0.66046 1.0000 + O O1169 1.0 0.38132 0.72729 0.66046 1.0000 + O O1170 1.0 0.33965 0.76896 0.66046 1.0000 + O O1171 1.0 0.29799 0.81062 0.66046 1.0000 + O O1172 1.0 0.25632 0.85229 0.66046 1.0000 + O O1173 1.0 0.21465 0.89396 0.66046 1.0000 + O O1174 1.0 0.17299 0.93562 0.66046 1.0000 + O O1175 1.0 0.13132 0.97729 0.66046 1.0000 + O O1176 1.0 0.08965 0.01896 0.66046 1.0000 + O O1177 1.0 0.58965 0.60229 0.66046 1.0000 + O O1178 1.0 0.54799 0.64396 0.66046 1.0000 + O O1179 1.0 0.50632 0.68562 0.66046 1.0000 + O O1180 1.0 0.46465 0.72729 0.66046 1.0000 + O O1181 1.0 0.42299 0.76896 0.66046 1.0000 + O O1182 1.0 0.38132 0.81062 0.66046 1.0000 + O O1183 1.0 0.33965 0.85229 0.66046 1.0000 + O O1184 1.0 0.29799 0.89396 0.66046 1.0000 + O O1185 1.0 0.25632 0.93562 0.66046 1.0000 + O O1186 1.0 0.21465 0.97729 0.66046 1.0000 + O O1187 1.0 0.17299 0.01896 0.66046 1.0000 + O O1188 1.0 0.13132 0.06062 0.66046 1.0000 + O O1189 1.0 0.63132 0.64396 0.66046 1.0000 + O O1190 1.0 0.58965 0.68562 0.66046 1.0000 + O O1191 1.0 0.54799 0.72729 0.66046 1.0000 + O O1192 1.0 0.50632 0.76896 0.66046 1.0000 + O O1193 1.0 0.46465 0.81062 0.66046 1.0000 + O O1194 1.0 0.42299 0.85229 0.66046 1.0000 + O O1195 1.0 0.38132 0.89396 0.66046 1.0000 + O O1196 1.0 0.33965 0.93562 0.66046 1.0000 + O O1197 1.0 0.29799 0.97729 0.66046 1.0000 + O O1198 1.0 0.25632 0.01896 0.66046 1.0000 + O O1199 1.0 0.21465 0.06062 0.66046 1.0000 + O O1200 1.0 0.17299 0.10229 0.66046 1.0000 + O O1201 1.0 0.67299 0.68562 0.66046 1.0000 + O O1202 1.0 0.63132 0.72729 0.66046 1.0000 + O O1203 1.0 0.58965 0.76896 0.66046 1.0000 + O O1204 1.0 0.54799 0.81062 0.66046 1.0000 + O O1205 1.0 0.50632 0.85229 0.66046 1.0000 + O O1206 1.0 0.46465 0.89396 0.66046 1.0000 + O O1207 1.0 0.42299 0.93562 0.66046 1.0000 + O O1208 1.0 0.38132 0.97729 0.66046 1.0000 + O O1209 1.0 0.33965 0.01896 0.66046 1.0000 + O O1210 1.0 0.29799 0.06062 0.66046 1.0000 + O O1211 1.0 0.25632 0.10229 0.66046 1.0000 + O O1212 1.0 0.21465 0.14396 0.66046 1.0000 + O O1213 1.0 0.71465 0.72729 0.66046 1.0000 + O O1214 1.0 0.67299 0.76896 0.66046 1.0000 + O O1215 1.0 0.63132 0.81062 0.66046 1.0000 + O O1216 1.0 0.58965 0.85229 0.66046 1.0000 + O O1217 1.0 0.54799 0.89396 0.66046 1.0000 + O O1218 1.0 0.50632 0.93562 0.66046 1.0000 + O O1219 1.0 0.46465 0.97729 0.66046 1.0000 + O O1220 1.0 0.42299 0.01896 0.66046 1.0000 + O O1221 1.0 0.38132 0.06062 0.66046 1.0000 + O O1222 1.0 0.33965 0.10229 0.66046 1.0000 + O O1223 1.0 0.29799 0.14396 0.66046 1.0000 + O O1224 1.0 0.25632 0.18562 0.66046 1.0000 + O O1225 1.0 0.75632 0.76896 0.66046 1.0000 + O O1226 1.0 0.71465 0.81062 0.66046 1.0000 + O O1227 1.0 0.67299 0.85229 0.66046 1.0000 + O O1228 1.0 0.63132 0.89396 0.66046 1.0000 + O O1229 1.0 0.58965 0.93562 0.66046 1.0000 + O O1230 1.0 0.54799 0.97729 0.66046 1.0000 + O O1231 1.0 0.50632 0.01896 0.66046 1.0000 + O O1232 1.0 0.46465 0.06062 0.66046 1.0000 + O O1233 1.0 0.42299 0.10229 0.66046 1.0000 + O O1234 1.0 0.38132 0.14396 0.66046 1.0000 + O O1235 1.0 0.33965 0.18562 0.66046 1.0000 + O O1236 1.0 0.29799 0.22729 0.66046 1.0000 + O O1237 1.0 0.79799 0.81062 0.66046 1.0000 + O O1238 1.0 0.75632 0.85229 0.66046 1.0000 + O O1239 1.0 0.71465 0.89396 0.66046 1.0000 + O O1240 1.0 0.67299 0.93562 0.66046 1.0000 + O O1241 1.0 0.63132 0.97729 0.66046 1.0000 + O O1242 1.0 0.58965 0.01896 0.66046 1.0000 + O O1243 1.0 0.54799 0.06062 0.66046 1.0000 + O O1244 1.0 0.50632 0.10229 0.66046 1.0000 + O O1245 1.0 0.46465 0.14396 0.66046 1.0000 + O O1246 1.0 0.42299 0.18562 0.66046 1.0000 + O O1247 1.0 0.38132 0.22729 0.66046 1.0000 + O O1248 1.0 0.33965 0.26896 0.66046 1.0000 + O O1249 1.0 0.83965 0.85229 0.66046 1.0000 + O O1250 1.0 0.79799 0.89396 0.66046 1.0000 + O O1251 1.0 0.75632 0.93562 0.66046 1.0000 + O O1252 1.0 0.71465 0.97729 0.66046 1.0000 + O O1253 1.0 0.67299 0.01896 0.66046 1.0000 + O O1254 1.0 0.63132 0.06062 0.66046 1.0000 + O O1255 1.0 0.58965 0.10229 0.66046 1.0000 + O O1256 1.0 0.54799 0.14396 0.66046 1.0000 + O O1257 1.0 0.50632 0.18562 0.66046 1.0000 + O O1258 1.0 0.46465 0.22729 0.66046 1.0000 + O O1259 1.0 0.42299 0.26896 0.66046 1.0000 + O O1260 1.0 0.38132 0.31062 0.66046 1.0000 + O O1261 1.0 0.88132 0.89396 0.66046 1.0000 + O O1262 1.0 0.83965 0.93562 0.66046 1.0000 + O O1263 1.0 0.79799 0.97729 0.66046 1.0000 + O O1264 1.0 0.75632 0.01896 0.66046 1.0000 + O O1265 1.0 0.71465 0.06062 0.66046 1.0000 + O O1266 1.0 0.67299 0.10229 0.66046 1.0000 + O O1267 1.0 0.63132 0.14396 0.66046 1.0000 + O O1268 1.0 0.58965 0.18562 0.66046 1.0000 + O O1269 1.0 0.54799 0.22729 0.66046 1.0000 + O O1270 1.0 0.50632 0.26896 0.66046 1.0000 + O O1271 1.0 0.46465 0.31062 0.66046 1.0000 + O O1272 1.0 0.42299 0.35229 0.66046 1.0000 + O O1273 1.0 0.92299 0.93562 0.66046 1.0000 + O O1274 1.0 0.88132 0.97729 0.66046 1.0000 + O O1275 1.0 0.83965 0.01896 0.66046 1.0000 + O O1276 1.0 0.79799 0.06062 0.66046 1.0000 + O O1277 1.0 0.75632 0.10229 0.66046 1.0000 + O O1278 1.0 0.71465 0.14396 0.66046 1.0000 + O O1279 1.0 0.67299 0.18562 0.66046 1.0000 + O O1280 1.0 0.63132 0.22729 0.66046 1.0000 + O O1281 1.0 0.58965 0.26896 0.66046 1.0000 + O O1282 1.0 0.54799 0.31062 0.66046 1.0000 + O O1283 1.0 0.50632 0.35229 0.66046 1.0000 + O O1284 1.0 0.46465 0.39396 0.66046 1.0000 + O O1285 1.0 0.96465 0.97729 0.66046 1.0000 + O O1286 1.0 0.92299 0.01896 0.66046 1.0000 + O O1287 1.0 0.88132 0.06062 0.66046 1.0000 + O O1288 1.0 0.83965 0.10229 0.66046 1.0000 + O O1289 1.0 0.79799 0.14396 0.66046 1.0000 + O O1290 1.0 0.75632 0.18562 0.66046 1.0000 + O O1291 1.0 0.71465 0.22729 0.66046 1.0000 + O O1292 1.0 0.67299 0.26896 0.66046 1.0000 + O O1293 1.0 0.63132 0.31062 0.66046 1.0000 + O O1294 1.0 0.58965 0.35229 0.66046 1.0000 + O O1295 1.0 0.54799 0.39396 0.66046 1.0000 + O O1296 1.0 0.50632 0.43562 0.66046 1.0000 + O O1297 1.0 0.50632 0.56438 0.66046 1.0000 + O O1298 1.0 0.46465 0.60604 0.66046 1.0000 + O O1299 1.0 0.42299 0.64771 0.66046 1.0000 + O O1300 1.0 0.38132 0.68938 0.66046 1.0000 + O O1301 1.0 0.33965 0.73104 0.66046 1.0000 + O O1302 1.0 0.29799 0.77271 0.66046 1.0000 + O O1303 1.0 0.25632 0.81438 0.66046 1.0000 + O O1304 1.0 0.21465 0.85604 0.66046 1.0000 + O O1305 1.0 0.17299 0.89771 0.66046 1.0000 + O O1306 1.0 0.13132 0.93938 0.66046 1.0000 + O O1307 1.0 0.08965 0.98104 0.66046 1.0000 + O O1308 1.0 0.04799 0.02271 0.66046 1.0000 + O O1309 1.0 0.54799 0.60604 0.66046 1.0000 + O O1310 1.0 0.50632 0.64771 0.66046 1.0000 + O O1311 1.0 0.46465 0.68938 0.66046 1.0000 + O O1312 1.0 0.42299 0.73104 0.66046 1.0000 + O O1313 1.0 0.38132 0.77271 0.66046 1.0000 + O O1314 1.0 0.33965 0.81438 0.66046 1.0000 + O O1315 1.0 0.29799 0.85604 0.66046 1.0000 + O O1316 1.0 0.25632 0.89771 0.66046 1.0000 + O O1317 1.0 0.21465 0.93938 0.66046 1.0000 + O O1318 1.0 0.17299 0.98104 0.66046 1.0000 + O O1319 1.0 0.13132 0.02271 0.66046 1.0000 + O O1320 1.0 0.08965 0.06438 0.66046 1.0000 + O O1321 1.0 0.58965 0.64771 0.66046 1.0000 + O O1322 1.0 0.54799 0.68938 0.66046 1.0000 + O O1323 1.0 0.50632 0.73104 0.66046 1.0000 + O O1324 1.0 0.46465 0.77271 0.66046 1.0000 + O O1325 1.0 0.42299 0.81438 0.66046 1.0000 + O O1326 1.0 0.38132 0.85604 0.66046 1.0000 + O O1327 1.0 0.33965 0.89771 0.66046 1.0000 + O O1328 1.0 0.29799 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a/tier2/cif_file/orthogonal_2dm-4089_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4089_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..2359bb8047b77d343f2552e3f6c8a6a8d94f1471 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4089_supercell_12x12x1.cif @@ -0,0 +1,1753 @@ +data_image0 +_chemical_formula_structural Sb576O1152 +_chemical_formula_sum "Sb576 O1152" +_cell_length_a 71.0627 +_cell_length_b 78.4099 +_cell_length_c 6.66208 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Sb Sb1 1.0 0.06221 0.04377 0.64317 1.0000 + Sb Sb2 1.0 0.06221 0.12710 0.64317 1.0000 + Sb Sb3 1.0 0.06221 0.21044 0.64317 1.0000 + Sb Sb4 1.0 0.06221 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Sb Sb267 1.0 0.85387 0.20602 0.35686 1.0000 + Sb Sb268 1.0 0.85387 0.28935 0.35686 1.0000 + Sb Sb269 1.0 0.85387 0.37268 0.35686 1.0000 + Sb Sb270 1.0 0.85387 0.45602 0.35686 1.0000 + Sb Sb271 1.0 0.85387 0.53935 0.35686 1.0000 + Sb Sb272 1.0 0.85387 0.62268 0.35686 1.0000 + Sb Sb273 1.0 0.85387 0.70602 0.35686 1.0000 + Sb Sb274 1.0 0.85387 0.78935 0.35686 1.0000 + Sb Sb275 1.0 0.85387 0.87268 0.35686 1.0000 + Sb Sb276 1.0 0.85387 0.95602 0.35686 1.0000 + Sb Sb277 1.0 0.93720 0.03935 0.35686 1.0000 + Sb Sb278 1.0 0.93720 0.12268 0.35686 1.0000 + Sb Sb279 1.0 0.93720 0.20602 0.35686 1.0000 + Sb Sb280 1.0 0.93720 0.28935 0.35686 1.0000 + Sb Sb281 1.0 0.93720 0.37268 0.35686 1.0000 + Sb Sb282 1.0 0.93720 0.45602 0.35686 1.0000 + Sb Sb283 1.0 0.93720 0.53935 0.35686 1.0000 + Sb Sb284 1.0 0.93720 0.62268 0.35686 1.0000 + Sb Sb285 1.0 0.93720 0.70602 0.35686 1.0000 + Sb Sb286 1.0 0.93720 0.78935 0.35686 1.0000 + Sb Sb287 1.0 0.93720 0.87268 0.35686 1.0000 + Sb Sb288 1.0 0.93720 0.95602 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Sb Sb332 1.0 0.29140 0.66656 0.50015 1.0000 + Sb Sb333 1.0 0.29140 0.74989 0.50015 1.0000 + Sb Sb334 1.0 0.29140 0.83323 0.50015 1.0000 + Sb Sb335 1.0 0.29140 0.91656 0.50015 1.0000 + Sb Sb336 1.0 0.29140 0.99989 0.50015 1.0000 + Sb Sb337 1.0 0.37473 0.08323 0.50015 1.0000 + Sb Sb338 1.0 0.37473 0.16656 0.50015 1.0000 + Sb Sb339 1.0 0.37473 0.24989 0.50015 1.0000 + Sb Sb340 1.0 0.37473 0.33323 0.50015 1.0000 + Sb Sb341 1.0 0.37473 0.41656 0.50015 1.0000 + Sb Sb342 1.0 0.37473 0.49989 0.50015 1.0000 + Sb Sb343 1.0 0.37473 0.58323 0.50015 1.0000 + Sb Sb344 1.0 0.37473 0.66656 0.50015 1.0000 + Sb Sb345 1.0 0.37473 0.74989 0.50015 1.0000 + Sb Sb346 1.0 0.37473 0.83323 0.50015 1.0000 + Sb Sb347 1.0 0.37473 0.91656 0.50015 1.0000 + Sb Sb348 1.0 0.37473 0.99989 0.50015 1.0000 + Sb Sb349 1.0 0.45807 0.08323 0.50015 1.0000 + Sb Sb350 1.0 0.45807 0.16656 0.50015 1.0000 + Sb Sb351 1.0 0.45807 0.24989 0.50015 1.0000 + Sb Sb352 1.0 0.45807 0.33323 0.50015 1.0000 + Sb Sb353 1.0 0.45807 0.41656 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Sb Sb397 1.0 0.79140 0.08323 0.50015 1.0000 + Sb Sb398 1.0 0.79140 0.16656 0.50015 1.0000 + Sb Sb399 1.0 0.79140 0.24989 0.50015 1.0000 + Sb Sb400 1.0 0.79140 0.33323 0.50015 1.0000 + Sb Sb401 1.0 0.79140 0.41656 0.50015 1.0000 + Sb Sb402 1.0 0.79140 0.49989 0.50015 1.0000 + Sb Sb403 1.0 0.79140 0.58323 0.50015 1.0000 + Sb Sb404 1.0 0.79140 0.66656 0.50015 1.0000 + Sb Sb405 1.0 0.79140 0.74989 0.50015 1.0000 + Sb Sb406 1.0 0.79140 0.83323 0.50015 1.0000 + Sb Sb407 1.0 0.79140 0.91656 0.50015 1.0000 + Sb Sb408 1.0 0.79140 0.99989 0.50015 1.0000 + Sb Sb409 1.0 0.87473 0.08323 0.50015 1.0000 + Sb Sb410 1.0 0.87473 0.16656 0.50015 1.0000 + Sb Sb411 1.0 0.87473 0.24989 0.50015 1.0000 + Sb Sb412 1.0 0.87473 0.33323 0.50015 1.0000 + Sb Sb413 1.0 0.87473 0.41656 0.50015 1.0000 + Sb Sb414 1.0 0.87473 0.49989 0.50015 1.0000 + Sb Sb415 1.0 0.87473 0.58323 0.50015 1.0000 + Sb Sb416 1.0 0.87473 0.66656 0.50015 1.0000 + Sb Sb417 1.0 0.87473 0.74989 0.50015 1.0000 + Sb Sb418 1.0 0.87473 0.83323 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Sb Sb462 1.0 0.24973 0.49989 0.50022 1.0000 + Sb Sb463 1.0 0.24973 0.58322 0.50022 1.0000 + Sb Sb464 1.0 0.24973 0.66656 0.50022 1.0000 + Sb Sb465 1.0 0.24973 0.74989 0.50022 1.0000 + Sb Sb466 1.0 0.24973 0.83322 0.50022 1.0000 + Sb Sb467 1.0 0.24973 0.91656 0.50022 1.0000 + Sb Sb468 1.0 0.24973 0.99989 0.50022 1.0000 + Sb Sb469 1.0 0.33307 0.08322 0.50022 1.0000 + Sb Sb470 1.0 0.33307 0.16656 0.50022 1.0000 + Sb Sb471 1.0 0.33307 0.24989 0.50022 1.0000 + Sb Sb472 1.0 0.33307 0.33322 0.50022 1.0000 + Sb Sb473 1.0 0.33307 0.41656 0.50022 1.0000 + Sb Sb474 1.0 0.33307 0.49989 0.50022 1.0000 + Sb Sb475 1.0 0.33307 0.58322 0.50022 1.0000 + Sb Sb476 1.0 0.33307 0.66656 0.50022 1.0000 + Sb Sb477 1.0 0.33307 0.74989 0.50022 1.0000 + Sb Sb478 1.0 0.33307 0.83322 0.50022 1.0000 + Sb Sb479 1.0 0.33307 0.91656 0.50022 1.0000 + Sb Sb480 1.0 0.33307 0.99989 0.50022 1.0000 + Sb Sb481 1.0 0.41640 0.08322 0.50022 1.0000 + Sb Sb482 1.0 0.41640 0.16656 0.50022 1.0000 + Sb Sb483 1.0 0.41640 0.24989 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0.29709 0.50000 1.0000 + Si Si86 1.0 0.99472 0.32834 0.50000 1.0000 + Si Si87 1.0 0.96347 0.35959 0.50000 1.0000 + Si Si88 1.0 0.93222 0.39084 0.50000 1.0000 + Si Si89 1.0 0.90097 0.42209 0.50000 1.0000 + Si Si90 1.0 0.86972 0.45334 0.50000 1.0000 + Si Si91 1.0 0.83847 0.48459 0.50000 1.0000 + Si Si92 1.0 0.80722 0.51584 0.50000 1.0000 + Si Si93 1.0 0.77597 0.54709 0.50000 1.0000 + Si Si94 1.0 0.74472 0.57834 0.50000 1.0000 + Si Si95 1.0 0.71347 0.60959 0.50000 1.0000 + Si Si96 1.0 0.68222 0.64084 0.50000 1.0000 + Si Si97 1.0 0.18222 0.20334 0.50000 1.0000 + Si Si98 1.0 0.15097 0.23459 0.50000 1.0000 + Si Si99 1.0 0.11972 0.26584 0.50000 1.0000 + Si Si100 1.0 0.08847 0.29709 0.50000 1.0000 + Si Si101 1.0 0.05722 0.32834 0.50000 1.0000 + Si Si102 1.0 0.02597 0.35959 0.50000 1.0000 + Si Si103 1.0 0.99472 0.39084 0.50000 1.0000 + Si Si104 1.0 0.96347 0.42209 0.50000 1.0000 + Si Si105 1.0 0.93222 0.45334 0.50000 1.0000 + Si Si106 1.0 0.90097 0.48459 0.50000 1.0000 + Si Si107 1.0 0.86972 0.51584 0.50000 1.0000 + Si Si108 1.0 0.83847 0.54709 0.50000 1.0000 + Si Si109 1.0 0.80722 0.57834 0.50000 1.0000 + Si Si110 1.0 0.77597 0.60959 0.50000 1.0000 + Si Si111 1.0 0.74472 0.64084 0.50000 1.0000 + Si Si112 1.0 0.71347 0.67209 0.50000 1.0000 + Si Si113 1.0 0.21347 0.23459 0.50000 1.0000 + Si Si114 1.0 0.18222 0.26584 0.50000 1.0000 + Si Si115 1.0 0.15097 0.29709 0.50000 1.0000 + Si Si116 1.0 0.11972 0.32834 0.50000 1.0000 + Si Si117 1.0 0.08847 0.35959 0.50000 1.0000 + Si Si118 1.0 0.05722 0.39084 0.50000 1.0000 + Si Si119 1.0 0.02597 0.42209 0.50000 1.0000 + Si Si120 1.0 0.99472 0.45334 0.50000 1.0000 + Si Si121 1.0 0.96347 0.48459 0.50000 1.0000 + Si Si122 1.0 0.93222 0.51584 0.50000 1.0000 + Si Si123 1.0 0.90097 0.54709 0.50000 1.0000 + Si Si124 1.0 0.86972 0.57834 0.50000 1.0000 + Si Si125 1.0 0.83847 0.60959 0.50000 1.0000 + Si Si126 1.0 0.80722 0.64084 0.50000 1.0000 + Si Si127 1.0 0.77597 0.67209 0.50000 1.0000 + Si Si128 1.0 0.74472 0.70334 0.50000 1.0000 + Si Si129 1.0 0.24472 0.26584 0.50000 1.0000 + Si Si130 1.0 0.21347 0.29709 0.50000 1.0000 + Si Si131 1.0 0.18222 0.32834 0.50000 1.0000 + Si Si132 1.0 0.15097 0.35959 0.50000 1.0000 + Si Si133 1.0 0.11972 0.39084 0.50000 1.0000 + Si Si134 1.0 0.08847 0.42209 0.50000 1.0000 + Si Si135 1.0 0.05722 0.45334 0.50000 1.0000 + Si Si136 1.0 0.02597 0.48459 0.50000 1.0000 + Si Si137 1.0 0.99472 0.51584 0.50000 1.0000 + Si Si138 1.0 0.96347 0.54709 0.50000 1.0000 + Si Si139 1.0 0.93222 0.57834 0.50000 1.0000 + Si Si140 1.0 0.90097 0.60959 0.50000 1.0000 + Si Si141 1.0 0.86972 0.64084 0.50000 1.0000 + Si Si142 1.0 0.83847 0.67209 0.50000 1.0000 + Si Si143 1.0 0.80722 0.70334 0.50000 1.0000 + Si Si144 1.0 0.77597 0.73459 0.50000 1.0000 + Si Si145 1.0 0.27597 0.29709 0.50000 1.0000 + Si Si146 1.0 0.24472 0.32834 0.50000 1.0000 + Si Si147 1.0 0.21347 0.35959 0.50000 1.0000 + Si Si148 1.0 0.18222 0.39084 0.50000 1.0000 + Si Si149 1.0 0.15097 0.42209 0.50000 1.0000 + Si Si150 1.0 0.11972 0.45334 0.50000 1.0000 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0.50000 1.0000 + Si Si173 1.0 0.93222 0.70334 0.50000 1.0000 + Si Si174 1.0 0.90097 0.73459 0.50000 1.0000 + Si Si175 1.0 0.86972 0.76584 0.50000 1.0000 + Si Si176 1.0 0.83847 0.79709 0.50000 1.0000 + Si Si177 1.0 0.33847 0.35959 0.50000 1.0000 + Si Si178 1.0 0.30722 0.39084 0.50000 1.0000 + Si Si179 1.0 0.27597 0.42209 0.50000 1.0000 + Si Si180 1.0 0.24472 0.45334 0.50000 1.0000 + Si Si181 1.0 0.21347 0.48459 0.50000 1.0000 + Si Si182 1.0 0.18222 0.51584 0.50000 1.0000 + Si Si183 1.0 0.15097 0.54709 0.50000 1.0000 + Si Si184 1.0 0.11972 0.57834 0.50000 1.0000 + Si Si185 1.0 0.08847 0.60959 0.50000 1.0000 + Si Si186 1.0 0.05722 0.64084 0.50000 1.0000 + Si Si187 1.0 0.02597 0.67209 0.50000 1.0000 + Si Si188 1.0 0.99472 0.70334 0.50000 1.0000 + Si Si189 1.0 0.96347 0.73459 0.50000 1.0000 + Si Si190 1.0 0.93222 0.76584 0.50000 1.0000 + Si Si191 1.0 0.90097 0.79709 0.50000 1.0000 + Si Si192 1.0 0.86972 0.82834 0.50000 1.0000 + Si Si193 1.0 0.36972 0.39084 0.50000 1.0000 + Si Si194 1.0 0.33847 0.42209 0.50000 1.0000 + Si Si195 1.0 0.30722 0.45334 0.50000 1.0000 + Si Si196 1.0 0.27597 0.48459 0.50000 1.0000 + Si Si197 1.0 0.24472 0.51584 0.50000 1.0000 + Si Si198 1.0 0.21347 0.54709 0.50000 1.0000 + Si Si199 1.0 0.18222 0.57834 0.50000 1.0000 + Si Si200 1.0 0.15097 0.60959 0.50000 1.0000 + Si Si201 1.0 0.11972 0.64084 0.50000 1.0000 + Si Si202 1.0 0.08847 0.67209 0.50000 1.0000 + Si Si203 1.0 0.05722 0.70334 0.50000 1.0000 + Si Si204 1.0 0.02597 0.73459 0.50000 1.0000 + Si Si205 1.0 0.99472 0.76584 0.50000 1.0000 + Si Si206 1.0 0.96347 0.79709 0.50000 1.0000 + Si Si207 1.0 0.93222 0.82834 0.50000 1.0000 + Si Si208 1.0 0.90097 0.85959 0.50000 1.0000 + Si Si209 1.0 0.40097 0.42209 0.50000 1.0000 + Si Si210 1.0 0.36972 0.45334 0.50000 1.0000 + Si Si211 1.0 0.33847 0.48459 0.50000 1.0000 + Si Si212 1.0 0.30722 0.51584 0.50000 1.0000 + Si Si213 1.0 0.27597 0.54709 0.50000 1.0000 + Si Si214 1.0 0.24472 0.57834 0.50000 1.0000 + Si Si215 1.0 0.21347 0.60959 0.50000 1.0000 + Si Si216 1.0 0.18222 0.64084 0.50000 1.0000 + Si Si217 1.0 0.15097 0.67209 0.50000 1.0000 + Si Si218 1.0 0.11972 0.70334 0.50000 1.0000 + Si Si219 1.0 0.08847 0.73459 0.50000 1.0000 + Si Si220 1.0 0.05722 0.76584 0.50000 1.0000 + Si Si221 1.0 0.02597 0.79709 0.50000 1.0000 + Si Si222 1.0 0.99472 0.82834 0.50000 1.0000 + Si Si223 1.0 0.96347 0.85959 0.50000 1.0000 + Si Si224 1.0 0.93222 0.89084 0.50000 1.0000 + Si Si225 1.0 0.43222 0.45334 0.50000 1.0000 + Si Si226 1.0 0.40097 0.48459 0.50000 1.0000 + Si Si227 1.0 0.36972 0.51584 0.50000 1.0000 + Si Si228 1.0 0.33847 0.54709 0.50000 1.0000 + Si Si229 1.0 0.30722 0.57834 0.50000 1.0000 + Si Si230 1.0 0.27597 0.60959 0.50000 1.0000 + Si Si231 1.0 0.24472 0.64084 0.50000 1.0000 + Si Si232 1.0 0.21347 0.67209 0.50000 1.0000 + Si Si233 1.0 0.18222 0.70334 0.50000 1.0000 + Si Si234 1.0 0.15097 0.73459 0.50000 1.0000 + Si Si235 1.0 0.11972 0.76584 0.50000 1.0000 + Si Si236 1.0 0.08847 0.79709 0.50000 1.0000 + Si Si237 1.0 0.05722 0.82834 0.50000 1.0000 + Si Si238 1.0 0.02597 0.85959 0.50000 1.0000 + Si Si239 1.0 0.99472 0.89084 0.50000 1.0000 + Si Si240 1.0 0.96347 0.92209 0.50000 1.0000 + Si Si241 1.0 0.46347 0.48459 0.50000 1.0000 + Si Si242 1.0 0.43222 0.51584 0.50000 1.0000 + Si Si243 1.0 0.40097 0.54709 0.50000 1.0000 + Si Si244 1.0 0.36972 0.57834 0.50000 1.0000 + Si Si245 1.0 0.33847 0.60959 0.50000 1.0000 + Si Si246 1.0 0.30722 0.64084 0.50000 1.0000 + Si Si247 1.0 0.27597 0.67209 0.50000 1.0000 + Si Si248 1.0 0.24472 0.70334 0.50000 1.0000 + Si Si249 1.0 0.21347 0.73459 0.50000 1.0000 + Si Si250 1.0 0.18222 0.76584 0.50000 1.0000 + Si Si251 1.0 0.15097 0.79709 0.50000 1.0000 + Si Si252 1.0 0.11972 0.82834 0.50000 1.0000 + Si Si253 1.0 0.08847 0.85959 0.50000 1.0000 + Si Si254 1.0 0.05722 0.89084 0.50000 1.0000 + Si Si255 1.0 0.02597 0.92209 0.50000 1.0000 + Si Si256 1.0 0.99472 0.95334 0.50000 1.0000 + Si Si257 1.0 0.97931 0.03125 0.50000 1.0000 + Si Si258 1.0 0.94806 0.06250 0.50000 1.0000 + Si Si259 1.0 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Si Si281 1.0 0.76056 0.31250 0.50000 1.0000 + Si Si282 1.0 0.72931 0.34375 0.50000 1.0000 + Si Si283 1.0 0.69806 0.37500 0.50000 1.0000 + Si Si284 1.0 0.66681 0.40625 0.50000 1.0000 + Si Si285 1.0 0.63556 0.43750 0.50000 1.0000 + Si Si286 1.0 0.60431 0.46875 0.50000 1.0000 + Si Si287 1.0 0.57306 0.50000 0.50000 1.0000 + Si Si288 1.0 0.54181 0.53125 0.50000 1.0000 + Si Si289 1.0 0.04181 0.09375 0.50000 1.0000 + Si Si290 1.0 0.01056 0.12500 0.50000 1.0000 + Si Si291 1.0 0.97931 0.15625 0.50000 1.0000 + Si Si292 1.0 0.94806 0.18750 0.50000 1.0000 + Si Si293 1.0 0.91681 0.21875 0.50000 1.0000 + Si Si294 1.0 0.88556 0.25000 0.50000 1.0000 + Si Si295 1.0 0.85431 0.28125 0.50000 1.0000 + Si Si296 1.0 0.82306 0.31250 0.50000 1.0000 + Si Si297 1.0 0.79181 0.34375 0.50000 1.0000 + Si Si298 1.0 0.76056 0.37500 0.50000 1.0000 + Si Si299 1.0 0.72931 0.40625 0.50000 1.0000 + Si Si300 1.0 0.69806 0.43750 0.50000 1.0000 + Si Si301 1.0 0.66681 0.46875 0.50000 1.0000 + Si Si302 1.0 0.63556 0.50000 0.50000 1.0000 + Si Si303 1.0 0.60431 0.53125 0.50000 1.0000 + Si Si304 1.0 0.57306 0.56250 0.50000 1.0000 + Si Si305 1.0 0.07306 0.12500 0.50000 1.0000 + Si Si306 1.0 0.04181 0.15625 0.50000 1.0000 + Si Si307 1.0 0.01056 0.18750 0.50000 1.0000 + Si Si308 1.0 0.97931 0.21875 0.50000 1.0000 + Si Si309 1.0 0.94806 0.25000 0.50000 1.0000 + Si Si310 1.0 0.91681 0.28125 0.50000 1.0000 + Si Si311 1.0 0.88556 0.31250 0.50000 1.0000 + Si Si312 1.0 0.85431 0.34375 0.50000 1.0000 + Si Si313 1.0 0.82306 0.37500 0.50000 1.0000 + Si Si314 1.0 0.79181 0.40625 0.50000 1.0000 + Si Si315 1.0 0.76056 0.43750 0.50000 1.0000 + Si Si316 1.0 0.72931 0.46875 0.50000 1.0000 + Si Si317 1.0 0.69806 0.50000 0.50000 1.0000 + Si Si318 1.0 0.66681 0.53125 0.50000 1.0000 + Si Si319 1.0 0.63556 0.56250 0.50000 1.0000 + Si Si320 1.0 0.60431 0.59375 0.50000 1.0000 + Si Si321 1.0 0.10431 0.15625 0.50000 1.0000 + Si Si322 1.0 0.07306 0.18750 0.50000 1.0000 + Si Si323 1.0 0.04181 0.21875 0.50000 1.0000 + Si Si324 1.0 0.01056 0.25000 0.50000 1.0000 + Si Si325 1.0 0.97931 0.28125 0.50000 1.0000 + Si Si326 1.0 0.94806 0.31250 0.50000 1.0000 + Si Si327 1.0 0.91681 0.34375 0.50000 1.0000 + Si Si328 1.0 0.88556 0.37500 0.50000 1.0000 + Si Si329 1.0 0.85431 0.40625 0.50000 1.0000 + Si Si330 1.0 0.82306 0.43750 0.50000 1.0000 + Si Si331 1.0 0.79181 0.46875 0.50000 1.0000 + Si Si332 1.0 0.76056 0.50000 0.50000 1.0000 + Si Si333 1.0 0.72931 0.53125 0.50000 1.0000 + Si Si334 1.0 0.69806 0.56250 0.50000 1.0000 + Si Si335 1.0 0.66681 0.59375 0.50000 1.0000 + Si Si336 1.0 0.63556 0.62500 0.50000 1.0000 + Si Si337 1.0 0.13556 0.18750 0.50000 1.0000 + Si Si338 1.0 0.10431 0.21875 0.50000 1.0000 + Si Si339 1.0 0.07306 0.25000 0.50000 1.0000 + Si Si340 1.0 0.04181 0.28125 0.50000 1.0000 + Si Si341 1.0 0.01056 0.31250 0.50000 1.0000 + Si Si342 1.0 0.97931 0.34375 0.50000 1.0000 + Si Si343 1.0 0.94806 0.37500 0.50000 1.0000 + Si Si344 1.0 0.91681 0.40625 0.50000 1.0000 + Si Si345 1.0 0.88556 0.43750 0.50000 1.0000 + Si Si346 1.0 0.85431 0.46875 0.50000 1.0000 + Si Si347 1.0 0.82306 0.50000 0.50000 1.0000 + Si Si348 1.0 0.79181 0.53125 0.50000 1.0000 + Si Si349 1.0 0.76056 0.56250 0.50000 1.0000 + Si Si350 1.0 0.72931 0.59375 0.50000 1.0000 + Si Si351 1.0 0.69806 0.62500 0.50000 1.0000 + Si Si352 1.0 0.66681 0.65625 0.50000 1.0000 + Si Si353 1.0 0.16681 0.21875 0.50000 1.0000 + Si Si354 1.0 0.13556 0.25000 0.50000 1.0000 + Si Si355 1.0 0.10431 0.28125 0.50000 1.0000 + Si Si356 1.0 0.07306 0.31250 0.50000 1.0000 + Si Si357 1.0 0.04181 0.34375 0.50000 1.0000 + Si Si358 1.0 0.01056 0.37500 0.50000 1.0000 + Si Si359 1.0 0.97931 0.40625 0.50000 1.0000 + Si Si360 1.0 0.94806 0.43750 0.50000 1.0000 + Si Si361 1.0 0.91681 0.46875 0.50000 1.0000 + Si Si362 1.0 0.88556 0.50000 0.50000 1.0000 + Si Si363 1.0 0.85431 0.53125 0.50000 1.0000 + Si Si364 1.0 0.82306 0.56250 0.50000 1.0000 + Si Si365 1.0 0.79181 0.59375 0.50000 1.0000 + Si Si366 1.0 0.76056 0.62500 0.50000 1.0000 + Si Si367 1.0 0.72931 0.65625 0.50000 1.0000 + Si Si368 1.0 0.69806 0.68750 0.50000 1.0000 + Si Si369 1.0 0.19806 0.25000 0.50000 1.0000 + Si Si370 1.0 0.16681 0.28125 0.50000 1.0000 + Si Si371 1.0 0.13556 0.31250 0.50000 1.0000 + Si Si372 1.0 0.10431 0.34375 0.50000 1.0000 + Si Si373 1.0 0.07306 0.37500 0.50000 1.0000 + Si Si374 1.0 0.04181 0.40625 0.50000 1.0000 + Si Si375 1.0 0.01056 0.43750 0.50000 1.0000 + Si Si376 1.0 0.97931 0.46875 0.50000 1.0000 + Si Si377 1.0 0.94806 0.50000 0.50000 1.0000 + Si Si378 1.0 0.91681 0.53125 0.50000 1.0000 + Si Si379 1.0 0.88556 0.56250 0.50000 1.0000 + Si Si380 1.0 0.85431 0.59375 0.50000 1.0000 + Si Si381 1.0 0.82306 0.62500 0.50000 1.0000 + Si Si382 1.0 0.79181 0.65625 0.50000 1.0000 + Si Si383 1.0 0.76056 0.68750 0.50000 1.0000 + Si Si384 1.0 0.72931 0.71875 0.50000 1.0000 + Si Si385 1.0 0.22931 0.28125 0.50000 1.0000 + Si Si386 1.0 0.19806 0.31250 0.50000 1.0000 + Si Si387 1.0 0.16681 0.34375 0.50000 1.0000 + Si Si388 1.0 0.13556 0.37500 0.50000 1.0000 + Si Si389 1.0 0.10431 0.40625 0.50000 1.0000 + Si Si390 1.0 0.07306 0.43750 0.50000 1.0000 + Si Si391 1.0 0.04181 0.46875 0.50000 1.0000 + Si Si392 1.0 0.01056 0.50000 0.50000 1.0000 + Si Si393 1.0 0.97931 0.53125 0.50000 1.0000 + Si Si394 1.0 0.94806 0.56250 0.50000 1.0000 + Si Si395 1.0 0.91681 0.59375 0.50000 1.0000 + Si Si396 1.0 0.88556 0.62500 0.50000 1.0000 + Si Si397 1.0 0.85431 0.65625 0.50000 1.0000 + Si Si398 1.0 0.82306 0.68750 0.50000 1.0000 + Si Si399 1.0 0.79181 0.71875 0.50000 1.0000 + Si Si400 1.0 0.76056 0.75000 0.50000 1.0000 + Si Si401 1.0 0.26056 0.31250 0.50000 1.0000 + Si Si402 1.0 0.22931 0.34375 0.50000 1.0000 + Si Si403 1.0 0.19806 0.37500 0.50000 1.0000 + Si Si404 1.0 0.16681 0.40625 0.50000 1.0000 + Si Si405 1.0 0.13556 0.43750 0.50000 1.0000 + Si Si406 1.0 0.10431 0.46875 0.50000 1.0000 + Si Si407 1.0 0.07306 0.50000 0.50000 1.0000 + Si Si408 1.0 0.04181 0.53125 0.50000 1.0000 + Si Si409 1.0 0.01056 0.56250 0.50000 1.0000 + Si Si410 1.0 0.97931 0.59375 0.50000 1.0000 + Si Si411 1.0 0.94806 0.62500 0.50000 1.0000 + Si Si412 1.0 0.91681 0.65625 0.50000 1.0000 + Si Si413 1.0 0.88556 0.68750 0.50000 1.0000 + Si Si414 1.0 0.85431 0.71875 0.50000 1.0000 + Si Si415 1.0 0.82306 0.75000 0.50000 1.0000 + Si Si416 1.0 0.79181 0.78125 0.50000 1.0000 + Si Si417 1.0 0.29181 0.34375 0.50000 1.0000 + Si Si418 1.0 0.26056 0.37500 0.50000 1.0000 + Si Si419 1.0 0.22931 0.40625 0.50000 1.0000 + Si Si420 1.0 0.19806 0.43750 0.50000 1.0000 + Si Si421 1.0 0.16681 0.46875 0.50000 1.0000 + Si Si422 1.0 0.13556 0.50000 0.50000 1.0000 + Si Si423 1.0 0.10431 0.53125 0.50000 1.0000 + Si Si424 1.0 0.07306 0.56250 0.50000 1.0000 + Si Si425 1.0 0.04181 0.59375 0.50000 1.0000 + Si Si426 1.0 0.01056 0.62500 0.50000 1.0000 + Si Si427 1.0 0.97931 0.65625 0.50000 1.0000 + Si Si428 1.0 0.94806 0.68750 0.50000 1.0000 + Si Si429 1.0 0.91681 0.71875 0.50000 1.0000 + Si Si430 1.0 0.88556 0.75000 0.50000 1.0000 + Si Si431 1.0 0.85431 0.78125 0.50000 1.0000 + Si Si432 1.0 0.82306 0.81250 0.50000 1.0000 + Si Si433 1.0 0.32306 0.37500 0.50000 1.0000 + Si Si434 1.0 0.29181 0.40625 0.50000 1.0000 + Si Si435 1.0 0.26056 0.43750 0.50000 1.0000 + Si Si436 1.0 0.22931 0.46875 0.50000 1.0000 + Si Si437 1.0 0.19806 0.50000 0.50000 1.0000 + Si Si438 1.0 0.16681 0.53125 0.50000 1.0000 + Si Si439 1.0 0.13556 0.56250 0.50000 1.0000 + Si Si440 1.0 0.10431 0.59375 0.50000 1.0000 + Si Si441 1.0 0.07306 0.62500 0.50000 1.0000 + Si Si442 1.0 0.04181 0.65625 0.50000 1.0000 + Si Si443 1.0 0.01056 0.68750 0.50000 1.0000 + Si Si444 1.0 0.97931 0.71875 0.50000 1.0000 + Si Si445 1.0 0.94806 0.75000 0.50000 1.0000 + Si Si446 1.0 0.91681 0.78125 0.50000 1.0000 + Si Si447 1.0 0.88556 0.81250 0.50000 1.0000 + Si Si448 1.0 0.85431 0.84375 0.50000 1.0000 + Si Si449 1.0 0.35431 0.40625 0.50000 1.0000 + Si Si450 1.0 0.32306 0.43750 0.50000 1.0000 + Si Si451 1.0 0.29181 0.46875 0.50000 1.0000 + Si Si452 1.0 0.26056 0.50000 0.50000 1.0000 + Si Si453 1.0 0.22931 0.53125 0.50000 1.0000 + Si Si454 1.0 0.19806 0.56250 0.50000 1.0000 + Si Si455 1.0 0.16681 0.59375 0.50000 1.0000 + Si Si456 1.0 0.13556 0.62500 0.50000 1.0000 + Si Si457 1.0 0.10431 0.65625 0.50000 1.0000 + Si Si458 1.0 0.07306 0.68750 0.50000 1.0000 + Si Si459 1.0 0.04181 0.71875 0.50000 1.0000 + Si Si460 1.0 0.01056 0.75000 0.50000 1.0000 + Si Si461 1.0 0.97931 0.78125 0.50000 1.0000 + Si Si462 1.0 0.94806 0.81250 0.50000 1.0000 + Si Si463 1.0 0.91681 0.84375 0.50000 1.0000 + Si Si464 1.0 0.88556 0.87500 0.50000 1.0000 + Si Si465 1.0 0.38556 0.43750 0.50000 1.0000 + Si Si466 1.0 0.35431 0.46875 0.50000 1.0000 + Si Si467 1.0 0.32306 0.50000 0.50000 1.0000 + Si Si468 1.0 0.29181 0.53125 0.50000 1.0000 + Si Si469 1.0 0.26056 0.56250 0.50000 1.0000 + Si Si470 1.0 0.22931 0.59375 0.50000 1.0000 + Si Si471 1.0 0.19806 0.62500 0.50000 1.0000 + Si Si472 1.0 0.16681 0.65625 0.50000 1.0000 + Si Si473 1.0 0.13556 0.68750 0.50000 1.0000 + Si Si474 1.0 0.10431 0.71875 0.50000 1.0000 + Si Si475 1.0 0.07306 0.75000 0.50000 1.0000 + Si Si476 1.0 0.04181 0.78125 0.50000 1.0000 + Si Si477 1.0 0.01056 0.81250 0.50000 1.0000 + Si Si478 1.0 0.97931 0.84375 0.50000 1.0000 + Si Si479 1.0 0.94806 0.87500 0.50000 1.0000 + Si Si480 1.0 0.91681 0.90625 0.50000 1.0000 + Si Si481 1.0 0.41681 0.46875 0.50000 1.0000 + Si Si482 1.0 0.38556 0.50000 0.50000 1.0000 + Si Si483 1.0 0.35431 0.53125 0.50000 1.0000 + Si Si484 1.0 0.32306 0.56250 0.50000 1.0000 + Si Si485 1.0 0.29181 0.59375 0.50000 1.0000 + Si Si486 1.0 0.26056 0.62500 0.50000 1.0000 + Si Si487 1.0 0.22931 0.65625 0.50000 1.0000 + Si Si488 1.0 0.19806 0.68750 0.50000 1.0000 + Si Si489 1.0 0.16681 0.71875 0.50000 1.0000 + Si Si490 1.0 0.13556 0.75000 0.50000 1.0000 + Si Si491 1.0 0.10431 0.78125 0.50000 1.0000 + Si Si492 1.0 0.07306 0.81250 0.50000 1.0000 + Si Si493 1.0 0.04181 0.84375 0.50000 1.0000 + Si Si494 1.0 0.01056 0.87500 0.50000 1.0000 + Si Si495 1.0 0.97931 0.90625 0.50000 1.0000 + Si Si496 1.0 0.94806 0.93750 0.50000 1.0000 + Si Si497 1.0 0.44806 0.50000 0.50000 1.0000 + Si Si498 1.0 0.41681 0.53125 0.50000 1.0000 + Si Si499 1.0 0.38556 0.56250 0.50000 1.0000 + Si Si500 1.0 0.35431 0.59375 0.50000 1.0000 + Si Si501 1.0 0.32306 0.62500 0.50000 1.0000 + Si Si502 1.0 0.29181 0.65625 0.50000 1.0000 + Si Si503 1.0 0.26056 0.68750 0.50000 1.0000 + Si Si504 1.0 0.22931 0.71875 0.50000 1.0000 + Si Si505 1.0 0.19806 0.75000 0.50000 1.0000 + Si Si506 1.0 0.16681 0.78125 0.50000 1.0000 + Si Si507 1.0 0.13556 0.81250 0.50000 1.0000 + Si Si508 1.0 0.10431 0.84375 0.50000 1.0000 + Si Si509 1.0 0.07306 0.87500 0.50000 1.0000 + Si Si510 1.0 0.04181 0.90625 0.50000 1.0000 + Si Si511 1.0 0.01056 0.93750 0.50000 1.0000 + Si Si512 1.0 0.97931 0.96875 0.50000 1.0000 + Si Si513 1.0 0.99472 0.04666 0.50000 1.0000 + Si Si514 1.0 0.96347 0.07791 0.50000 1.0000 + Si Si515 1.0 0.93222 0.10916 0.50000 1.0000 + Si Si516 1.0 0.90097 0.14041 0.50000 1.0000 + Si Si517 1.0 0.86972 0.17166 0.50000 1.0000 + Si Si518 1.0 0.83847 0.20291 0.50000 1.0000 + Si Si519 1.0 0.80722 0.23416 0.50000 1.0000 + Si Si520 1.0 0.77597 0.26541 0.50000 1.0000 + Si Si521 1.0 0.74472 0.29666 0.50000 1.0000 + Si Si522 1.0 0.71347 0.32791 0.50000 1.0000 + Si Si523 1.0 0.68222 0.35916 0.50000 1.0000 + Si Si524 1.0 0.65097 0.39041 0.50000 1.0000 + Si Si525 1.0 0.61972 0.42166 0.50000 1.0000 + Si Si526 1.0 0.58847 0.45291 0.50000 1.0000 + Si Si527 1.0 0.55722 0.48416 0.50000 1.0000 + Si Si528 1.0 0.52597 0.51541 0.50000 1.0000 + Si Si529 1.0 0.02597 0.07791 0.50000 1.0000 + Si Si530 1.0 0.99472 0.10916 0.50000 1.0000 + Si Si531 1.0 0.96347 0.14041 0.50000 1.0000 + Si Si532 1.0 0.93222 0.17166 0.50000 1.0000 + Si Si533 1.0 0.90097 0.20291 0.50000 1.0000 + Si Si534 1.0 0.86972 0.23416 0.50000 1.0000 + Si Si535 1.0 0.83847 0.26541 0.50000 1.0000 + Si Si536 1.0 0.80722 0.29666 0.50000 1.0000 + Si Si537 1.0 0.77597 0.32791 0.50000 1.0000 + Si Si538 1.0 0.74472 0.35916 0.50000 1.0000 + Si Si539 1.0 0.71347 0.39041 0.50000 1.0000 + Si Si540 1.0 0.68222 0.42166 0.50000 1.0000 + Si Si541 1.0 0.65097 0.45291 0.50000 1.0000 + Si Si542 1.0 0.61972 0.48416 0.50000 1.0000 + Si Si543 1.0 0.58847 0.51541 0.50000 1.0000 + Si Si544 1.0 0.55722 0.54666 0.50000 1.0000 + Si Si545 1.0 0.05722 0.10916 0.50000 1.0000 + Si Si546 1.0 0.02597 0.14041 0.50000 1.0000 + Si Si547 1.0 0.99472 0.17166 0.50000 1.0000 + Si Si548 1.0 0.96347 0.20291 0.50000 1.0000 + Si Si549 1.0 0.93222 0.23416 0.50000 1.0000 + Si Si550 1.0 0.90097 0.26541 0.50000 1.0000 + Si Si551 1.0 0.86972 0.29666 0.50000 1.0000 + Si Si552 1.0 0.83847 0.32791 0.50000 1.0000 + Si Si553 1.0 0.80722 0.35916 0.50000 1.0000 + Si Si554 1.0 0.77597 0.39041 0.50000 1.0000 + Si Si555 1.0 0.74472 0.42166 0.50000 1.0000 + Si Si556 1.0 0.71347 0.45291 0.50000 1.0000 + Si Si557 1.0 0.68222 0.48416 0.50000 1.0000 + Si Si558 1.0 0.65097 0.51541 0.50000 1.0000 + Si Si559 1.0 0.61972 0.54666 0.50000 1.0000 + Si Si560 1.0 0.58847 0.57791 0.50000 1.0000 + Si Si561 1.0 0.08847 0.14041 0.50000 1.0000 + Si Si562 1.0 0.05722 0.17166 0.50000 1.0000 + Si Si563 1.0 0.02597 0.20291 0.50000 1.0000 + Si Si564 1.0 0.99472 0.23416 0.50000 1.0000 + Si Si565 1.0 0.96347 0.26541 0.50000 1.0000 + Si Si566 1.0 0.93222 0.29666 0.50000 1.0000 + Si Si567 1.0 0.90097 0.32791 0.50000 1.0000 + Si Si568 1.0 0.86972 0.35916 0.50000 1.0000 + Si Si569 1.0 0.83847 0.39041 0.50000 1.0000 + Si Si570 1.0 0.80722 0.42166 0.50000 1.0000 + Si Si571 1.0 0.77597 0.45291 0.50000 1.0000 + Si Si572 1.0 0.74472 0.48416 0.50000 1.0000 + Si Si573 1.0 0.71347 0.51541 0.50000 1.0000 + Si Si574 1.0 0.68222 0.54666 0.50000 1.0000 + Si Si575 1.0 0.65097 0.57791 0.50000 1.0000 + Si Si576 1.0 0.61972 0.60916 0.50000 1.0000 + Si Si577 1.0 0.11972 0.17166 0.50000 1.0000 + Si Si578 1.0 0.08847 0.20291 0.50000 1.0000 + Si Si579 1.0 0.05722 0.23416 0.50000 1.0000 + Si Si580 1.0 0.02597 0.26541 0.50000 1.0000 + Si Si581 1.0 0.99472 0.29666 0.50000 1.0000 + Si Si582 1.0 0.96347 0.32791 0.50000 1.0000 + Si Si583 1.0 0.93222 0.35916 0.50000 1.0000 + Si Si584 1.0 0.90097 0.39041 0.50000 1.0000 + Si Si585 1.0 0.86972 0.42166 0.50000 1.0000 + Si Si586 1.0 0.83847 0.45291 0.50000 1.0000 + Si Si587 1.0 0.80722 0.48416 0.50000 1.0000 + Si Si588 1.0 0.77597 0.51541 0.50000 1.0000 + Si Si589 1.0 0.74472 0.54666 0.50000 1.0000 + Si Si590 1.0 0.71347 0.57791 0.50000 1.0000 + Si Si591 1.0 0.68222 0.60916 0.50000 1.0000 + Si Si592 1.0 0.65097 0.64041 0.50000 1.0000 + Si Si593 1.0 0.15097 0.20291 0.50000 1.0000 + Si Si594 1.0 0.11972 0.23416 0.50000 1.0000 + Si Si595 1.0 0.08847 0.26541 0.50000 1.0000 + Si Si596 1.0 0.05722 0.29666 0.50000 1.0000 + Si Si597 1.0 0.02597 0.32791 0.50000 1.0000 + Si Si598 1.0 0.99472 0.35916 0.50000 1.0000 + Si Si599 1.0 0.96347 0.39041 0.50000 1.0000 + Si Si600 1.0 0.93222 0.42166 0.50000 1.0000 + Si Si601 1.0 0.90097 0.45291 0.50000 1.0000 + Si Si602 1.0 0.86972 0.48416 0.50000 1.0000 + Si Si603 1.0 0.83847 0.51541 0.50000 1.0000 + Si Si604 1.0 0.80722 0.54666 0.50000 1.0000 + Si Si605 1.0 0.77597 0.57791 0.50000 1.0000 + Si Si606 1.0 0.74472 0.60916 0.50000 1.0000 + Si Si607 1.0 0.71347 0.64041 0.50000 1.0000 + Si Si608 1.0 0.68222 0.67166 0.50000 1.0000 + Si Si609 1.0 0.18222 0.23416 0.50000 1.0000 + Si Si610 1.0 0.15097 0.26541 0.50000 1.0000 + Si Si611 1.0 0.11972 0.29666 0.50000 1.0000 + Si Si612 1.0 0.08847 0.32791 0.50000 1.0000 + Si Si613 1.0 0.05722 0.35916 0.50000 1.0000 + Si Si614 1.0 0.02597 0.39041 0.50000 1.0000 + Si Si615 1.0 0.99472 0.42166 0.50000 1.0000 + Si Si616 1.0 0.96347 0.45291 0.50000 1.0000 + Si Si617 1.0 0.93222 0.48416 0.50000 1.0000 + Si Si618 1.0 0.90097 0.51541 0.50000 1.0000 + Si Si619 1.0 0.86972 0.54666 0.50000 1.0000 + Si Si620 1.0 0.83847 0.57791 0.50000 1.0000 + Si Si621 1.0 0.80722 0.60916 0.50000 1.0000 + Si Si622 1.0 0.77597 0.64041 0.50000 1.0000 + Si Si623 1.0 0.74472 0.67166 0.50000 1.0000 + Si Si624 1.0 0.71347 0.70291 0.50000 1.0000 + Si Si625 1.0 0.21347 0.26541 0.50000 1.0000 + Si Si626 1.0 0.18222 0.29666 0.50000 1.0000 + Si Si627 1.0 0.15097 0.32791 0.50000 1.0000 + Si Si628 1.0 0.11972 0.35916 0.50000 1.0000 + Si Si629 1.0 0.08847 0.39041 0.50000 1.0000 + Si Si630 1.0 0.05722 0.42166 0.50000 1.0000 + Si Si631 1.0 0.02597 0.45291 0.50000 1.0000 + Si Si632 1.0 0.99472 0.48416 0.50000 1.0000 + Si Si633 1.0 0.96347 0.51541 0.50000 1.0000 + Si Si634 1.0 0.93222 0.54666 0.50000 1.0000 + Si Si635 1.0 0.90097 0.57791 0.50000 1.0000 + Si Si636 1.0 0.86972 0.60916 0.50000 1.0000 + Si Si637 1.0 0.83847 0.64041 0.50000 1.0000 + Si Si638 1.0 0.80722 0.67166 0.50000 1.0000 + Si Si639 1.0 0.77597 0.70291 0.50000 1.0000 + Si Si640 1.0 0.74472 0.73416 0.50000 1.0000 + Si Si641 1.0 0.24472 0.29666 0.50000 1.0000 + Si Si642 1.0 0.21347 0.32791 0.50000 1.0000 + Si Si643 1.0 0.18222 0.35916 0.50000 1.0000 + Si Si644 1.0 0.15097 0.39041 0.50000 1.0000 + Si Si645 1.0 0.11972 0.42166 0.50000 1.0000 + Si Si646 1.0 0.08847 0.45291 0.50000 1.0000 + Si Si647 1.0 0.05722 0.48416 0.50000 1.0000 + Si Si648 1.0 0.02597 0.51541 0.50000 1.0000 + Si Si649 1.0 0.99472 0.54666 0.50000 1.0000 + Si Si650 1.0 0.96347 0.57791 0.50000 1.0000 + Si Si651 1.0 0.93222 0.60916 0.50000 1.0000 + Si Si652 1.0 0.90097 0.64041 0.50000 1.0000 + Si Si653 1.0 0.86972 0.67166 0.50000 1.0000 + Si Si654 1.0 0.83847 0.70291 0.50000 1.0000 + Si Si655 1.0 0.80722 0.73416 0.50000 1.0000 + Si Si656 1.0 0.77597 0.76541 0.50000 1.0000 + Si Si657 1.0 0.27597 0.32791 0.50000 1.0000 + Si Si658 1.0 0.24472 0.35916 0.50000 1.0000 + Si Si659 1.0 0.21347 0.39041 0.50000 1.0000 + Si Si660 1.0 0.18222 0.42166 0.50000 1.0000 + Si Si661 1.0 0.15097 0.45291 0.50000 1.0000 + Si Si662 1.0 0.11972 0.48416 0.50000 1.0000 + Si Si663 1.0 0.08847 0.51541 0.50000 1.0000 + Si Si664 1.0 0.05722 0.54666 0.50000 1.0000 + Si Si665 1.0 0.02597 0.57791 0.50000 1.0000 + Si Si666 1.0 0.99472 0.60916 0.50000 1.0000 + Si Si667 1.0 0.96347 0.64041 0.50000 1.0000 + Si Si668 1.0 0.93222 0.67166 0.50000 1.0000 + Si Si669 1.0 0.90097 0.70291 0.50000 1.0000 + Si Si670 1.0 0.86972 0.73416 0.50000 1.0000 + Si Si671 1.0 0.83847 0.76541 0.50000 1.0000 + Si Si672 1.0 0.80722 0.79666 0.50000 1.0000 + Si Si673 1.0 0.30722 0.35916 0.50000 1.0000 + Si Si674 1.0 0.27597 0.39041 0.50000 1.0000 + Si Si675 1.0 0.24472 0.42166 0.50000 1.0000 + Si Si676 1.0 0.21347 0.45291 0.50000 1.0000 + Si Si677 1.0 0.18222 0.48416 0.50000 1.0000 + Si Si678 1.0 0.15097 0.51541 0.50000 1.0000 + Si Si679 1.0 0.11972 0.54666 0.50000 1.0000 + Si Si680 1.0 0.08847 0.57791 0.50000 1.0000 + Si Si681 1.0 0.05722 0.60916 0.50000 1.0000 + Si Si682 1.0 0.02597 0.64041 0.50000 1.0000 + Si Si683 1.0 0.99472 0.67166 0.50000 1.0000 + Si Si684 1.0 0.96347 0.70291 0.50000 1.0000 + Si Si685 1.0 0.93222 0.73416 0.50000 1.0000 + Si Si686 1.0 0.90097 0.76541 0.50000 1.0000 + Si Si687 1.0 0.86972 0.79666 0.50000 1.0000 + Si Si688 1.0 0.83847 0.82791 0.50000 1.0000 + Si Si689 1.0 0.33847 0.39041 0.50000 1.0000 + Si Si690 1.0 0.30722 0.42166 0.50000 1.0000 + Si Si691 1.0 0.27597 0.45291 0.50000 1.0000 + Si Si692 1.0 0.24472 0.48416 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0.37500 0.50000 1.0000 + Y Y495 1.0 0.51042 0.40625 0.50000 1.0000 + Y Y496 1.0 0.47917 0.43750 0.50000 1.0000 + Y Y497 1.0 0.97917 1.00000 0.50000 1.0000 + Y Y498 1.0 0.94792 0.03125 0.50000 1.0000 + Y Y499 1.0 0.91667 0.06250 0.50000 1.0000 + Y Y500 1.0 0.88542 0.09375 0.50000 1.0000 + Y Y501 1.0 0.85417 0.12500 0.50000 1.0000 + Y Y502 1.0 0.82292 0.15625 0.50000 1.0000 + Y Y503 1.0 0.79167 0.18750 0.50000 1.0000 + Y Y504 1.0 0.76042 0.21875 0.50000 1.0000 + Y Y505 1.0 0.72917 0.25000 0.50000 1.0000 + Y Y506 1.0 0.69792 0.28125 0.50000 1.0000 + Y Y507 1.0 0.66667 0.31250 0.50000 1.0000 + Y Y508 1.0 0.63542 0.34375 0.50000 1.0000 + Y Y509 1.0 0.60417 0.37500 0.50000 1.0000 + Y Y510 1.0 0.57292 0.40625 0.50000 1.0000 + Y Y511 1.0 0.54167 0.43750 0.50000 1.0000 + Y Y512 1.0 0.51042 0.46875 0.50000 1.0000 + Si Si769 1.0 0.49472 0.51584 0.50000 1.0000 + Si Si770 1.0 0.46347 0.54709 0.50000 1.0000 + Si Si771 1.0 0.43222 0.57834 0.50000 1.0000 + Si Si772 1.0 0.40097 0.60959 0.50000 1.0000 + Si Si773 1.0 0.36972 0.64084 0.50000 1.0000 + Si Si774 1.0 0.33847 0.67209 0.50000 1.0000 + Si Si775 1.0 0.30722 0.70334 0.50000 1.0000 + Si Si776 1.0 0.27597 0.73459 0.50000 1.0000 + Si Si777 1.0 0.24472 0.76584 0.50000 1.0000 + Si Si778 1.0 0.21347 0.79709 0.50000 1.0000 + Si Si779 1.0 0.18222 0.82834 0.50000 1.0000 + Si Si780 1.0 0.15097 0.85959 0.50000 1.0000 + Si Si781 1.0 0.11972 0.89084 0.50000 1.0000 + Si Si782 1.0 0.08847 0.92209 0.50000 1.0000 + Si Si783 1.0 0.05722 0.95334 0.50000 1.0000 + Si Si784 1.0 0.02597 0.98459 0.50000 1.0000 + Si Si785 1.0 0.52597 0.54709 0.50000 1.0000 + Si Si786 1.0 0.49472 0.57834 0.50000 1.0000 + Si Si787 1.0 0.46347 0.60959 0.50000 1.0000 + Si Si788 1.0 0.43222 0.64084 0.50000 1.0000 + Si Si789 1.0 0.40097 0.67209 0.50000 1.0000 + Si Si790 1.0 0.36972 0.70334 0.50000 1.0000 + Si Si791 1.0 0.33847 0.73459 0.50000 1.0000 + Si Si792 1.0 0.30722 0.76584 0.50000 1.0000 + Si Si793 1.0 0.27597 0.79709 0.50000 1.0000 + Si Si794 1.0 0.24472 0.82834 0.50000 1.0000 + Si Si795 1.0 0.21347 0.85959 0.50000 1.0000 + Si Si796 1.0 0.18222 0.89084 0.50000 1.0000 + Si Si797 1.0 0.15097 0.92209 0.50000 1.0000 + Si Si798 1.0 0.11972 0.95334 0.50000 1.0000 + Si Si799 1.0 0.08847 0.98459 0.50000 1.0000 + Si Si800 1.0 0.05722 0.01584 0.50000 1.0000 + Si Si801 1.0 0.55722 0.57834 0.50000 1.0000 + Si Si802 1.0 0.52597 0.60959 0.50000 1.0000 + Si Si803 1.0 0.49472 0.64084 0.50000 1.0000 + Si Si804 1.0 0.46347 0.67209 0.50000 1.0000 + Si Si805 1.0 0.43222 0.70334 0.50000 1.0000 + Si Si806 1.0 0.40097 0.73459 0.50000 1.0000 + Si Si807 1.0 0.36972 0.76584 0.50000 1.0000 + Si Si808 1.0 0.33847 0.79709 0.50000 1.0000 + Si Si809 1.0 0.30722 0.82834 0.50000 1.0000 + Si Si810 1.0 0.27597 0.85959 0.50000 1.0000 + Si Si811 1.0 0.24472 0.89084 0.50000 1.0000 + Si Si812 1.0 0.21347 0.92209 0.50000 1.0000 + Si Si813 1.0 0.18222 0.95334 0.50000 1.0000 + Si Si814 1.0 0.15097 0.98459 0.50000 1.0000 + Si Si815 1.0 0.11972 0.01584 0.50000 1.0000 + Si Si816 1.0 0.08847 0.04709 0.50000 1.0000 + Si Si817 1.0 0.58847 0.60959 0.50000 1.0000 + Si Si818 1.0 0.55722 0.64084 0.50000 1.0000 + Si Si819 1.0 0.52597 0.67209 0.50000 1.0000 + Si Si820 1.0 0.49472 0.70334 0.50000 1.0000 + Si Si821 1.0 0.46347 0.73459 0.50000 1.0000 + Si Si822 1.0 0.43222 0.76584 0.50000 1.0000 + Si Si823 1.0 0.40097 0.79709 0.50000 1.0000 + Si Si824 1.0 0.36972 0.82834 0.50000 1.0000 + Si Si825 1.0 0.33847 0.85959 0.50000 1.0000 + Si Si826 1.0 0.30722 0.89084 0.50000 1.0000 + Si Si827 1.0 0.27597 0.92209 0.50000 1.0000 + Si Si828 1.0 0.24472 0.95334 0.50000 1.0000 + Si Si829 1.0 0.21347 0.98459 0.50000 1.0000 + Si Si830 1.0 0.18222 0.01584 0.50000 1.0000 + Si Si831 1.0 0.15097 0.04709 0.50000 1.0000 + Si Si832 1.0 0.11972 0.07834 0.50000 1.0000 + Si Si833 1.0 0.61972 0.64084 0.50000 1.0000 + Si Si834 1.0 0.58847 0.67209 0.50000 1.0000 + Si Si835 1.0 0.55722 0.70334 0.50000 1.0000 + Si Si836 1.0 0.52597 0.73459 0.50000 1.0000 + Si Si837 1.0 0.49472 0.76584 0.50000 1.0000 + Si Si838 1.0 0.46347 0.79709 0.50000 1.0000 + Si Si839 1.0 0.43222 0.82834 0.50000 1.0000 + Si Si840 1.0 0.40097 0.85959 0.50000 1.0000 + Si Si841 1.0 0.36972 0.89084 0.50000 1.0000 + Si Si842 1.0 0.33847 0.92209 0.50000 1.0000 + Si Si843 1.0 0.30722 0.95334 0.50000 1.0000 + Si Si844 1.0 0.27597 0.98459 0.50000 1.0000 + Si Si845 1.0 0.24472 0.01584 0.50000 1.0000 + Si Si846 1.0 0.21347 0.04709 0.50000 1.0000 + Si Si847 1.0 0.18222 0.07834 0.50000 1.0000 + Si Si848 1.0 0.15097 0.10959 0.50000 1.0000 + Si Si849 1.0 0.65097 0.67209 0.50000 1.0000 + Si Si850 1.0 0.61972 0.70334 0.50000 1.0000 + Si Si851 1.0 0.58847 0.73459 0.50000 1.0000 + Si Si852 1.0 0.55722 0.76584 0.50000 1.0000 + Si Si853 1.0 0.52597 0.79709 0.50000 1.0000 + Si Si854 1.0 0.49472 0.82834 0.50000 1.0000 + Si Si855 1.0 0.46347 0.85959 0.50000 1.0000 + Si Si856 1.0 0.43222 0.89084 0.50000 1.0000 + Si Si857 1.0 0.40097 0.92209 0.50000 1.0000 + Si Si858 1.0 0.36972 0.95334 0.50000 1.0000 + Si Si859 1.0 0.33847 0.98459 0.50000 1.0000 + Si Si860 1.0 0.30722 0.01584 0.50000 1.0000 + Si Si861 1.0 0.27597 0.04709 0.50000 1.0000 + Si Si862 1.0 0.24472 0.07834 0.50000 1.0000 + Si Si863 1.0 0.21347 0.10959 0.50000 1.0000 + Si Si864 1.0 0.18222 0.14084 0.50000 1.0000 + Si Si865 1.0 0.68222 0.70334 0.50000 1.0000 + Si Si866 1.0 0.65097 0.73459 0.50000 1.0000 + Si Si867 1.0 0.61972 0.76584 0.50000 1.0000 + Si Si868 1.0 0.58847 0.79709 0.50000 1.0000 + Si Si869 1.0 0.55722 0.82834 0.50000 1.0000 + Si Si870 1.0 0.52597 0.85959 0.50000 1.0000 + Si Si871 1.0 0.49472 0.89084 0.50000 1.0000 + Si Si872 1.0 0.46347 0.92209 0.50000 1.0000 + Si Si873 1.0 0.43222 0.95334 0.50000 1.0000 + Si Si874 1.0 0.40097 0.98459 0.50000 1.0000 + Si Si875 1.0 0.36972 0.01584 0.50000 1.0000 + Si Si876 1.0 0.33847 0.04709 0.50000 1.0000 + Si Si877 1.0 0.30722 0.07834 0.50000 1.0000 + Si Si878 1.0 0.27597 0.10959 0.50000 1.0000 + Si Si879 1.0 0.24472 0.14084 0.50000 1.0000 + Si Si880 1.0 0.21347 0.17209 0.50000 1.0000 + Si Si881 1.0 0.71347 0.73459 0.50000 1.0000 + Si Si882 1.0 0.68222 0.76584 0.50000 1.0000 + Si Si883 1.0 0.65097 0.79709 0.50000 1.0000 + Si Si884 1.0 0.61972 0.82834 0.50000 1.0000 + Si Si885 1.0 0.58847 0.85959 0.50000 1.0000 + Si Si886 1.0 0.55722 0.89084 0.50000 1.0000 + Si Si887 1.0 0.52597 0.92209 0.50000 1.0000 + Si Si888 1.0 0.49472 0.95334 0.50000 1.0000 + Si Si889 1.0 0.46347 0.98459 0.50000 1.0000 + Si Si890 1.0 0.43222 0.01584 0.50000 1.0000 + Si Si891 1.0 0.40097 0.04709 0.50000 1.0000 + Si Si892 1.0 0.36972 0.07834 0.50000 1.0000 + Si Si893 1.0 0.33847 0.10959 0.50000 1.0000 + Si Si894 1.0 0.30722 0.14084 0.50000 1.0000 + Si Si895 1.0 0.27597 0.17209 0.50000 1.0000 + Si Si896 1.0 0.24472 0.20334 0.50000 1.0000 + Si Si897 1.0 0.74472 0.76584 0.50000 1.0000 + Si Si898 1.0 0.71347 0.79709 0.50000 1.0000 + Si Si899 1.0 0.68222 0.82834 0.50000 1.0000 + Si Si900 1.0 0.65097 0.85959 0.50000 1.0000 + Si Si901 1.0 0.61972 0.89084 0.50000 1.0000 + Si Si902 1.0 0.58847 0.92209 0.50000 1.0000 + Si Si903 1.0 0.55722 0.95334 0.50000 1.0000 + Si Si904 1.0 0.52597 0.98459 0.50000 1.0000 + Si Si905 1.0 0.49472 0.01584 0.50000 1.0000 + Si Si906 1.0 0.46347 0.04709 0.50000 1.0000 + Si Si907 1.0 0.43222 0.07834 0.50000 1.0000 + Si Si908 1.0 0.40097 0.10959 0.50000 1.0000 + Si Si909 1.0 0.36972 0.14084 0.50000 1.0000 + Si Si910 1.0 0.33847 0.17209 0.50000 1.0000 + Si Si911 1.0 0.30722 0.20334 0.50000 1.0000 + Si Si912 1.0 0.27597 0.23459 0.50000 1.0000 + Si Si913 1.0 0.77597 0.79709 0.50000 1.0000 + Si Si914 1.0 0.74472 0.82834 0.50000 1.0000 + Si Si915 1.0 0.71347 0.85959 0.50000 1.0000 + Si Si916 1.0 0.68222 0.89084 0.50000 1.0000 + Si Si917 1.0 0.65097 0.92209 0.50000 1.0000 + Si Si918 1.0 0.61972 0.95334 0.50000 1.0000 + Si Si919 1.0 0.58847 0.98459 0.50000 1.0000 + Si Si920 1.0 0.55722 0.01584 0.50000 1.0000 + Si Si921 1.0 0.52597 0.04709 0.50000 1.0000 + Si Si922 1.0 0.49472 0.07834 0.50000 1.0000 + Si Si923 1.0 0.46347 0.10959 0.50000 1.0000 + Si Si924 1.0 0.43222 0.14084 0.50000 1.0000 + Si Si925 1.0 0.40097 0.17209 0.50000 1.0000 + Si Si926 1.0 0.36972 0.20334 0.50000 1.0000 + Si Si927 1.0 0.33847 0.23459 0.50000 1.0000 + Si Si928 1.0 0.30722 0.26584 0.50000 1.0000 + Si Si929 1.0 0.80722 0.82834 0.50000 1.0000 + Si Si930 1.0 0.77597 0.85959 0.50000 1.0000 + Si Si931 1.0 0.74472 0.89084 0.50000 1.0000 + Si Si932 1.0 0.71347 0.92209 0.50000 1.0000 + Si Si933 1.0 0.68222 0.95334 0.50000 1.0000 + Si Si934 1.0 0.65097 0.98459 0.50000 1.0000 + Si Si935 1.0 0.61972 0.01584 0.50000 1.0000 + Si Si936 1.0 0.58847 0.04709 0.50000 1.0000 + Si Si937 1.0 0.55722 0.07834 0.50000 1.0000 + Si Si938 1.0 0.52597 0.10959 0.50000 1.0000 + Si Si939 1.0 0.49472 0.14084 0.50000 1.0000 + Si Si940 1.0 0.46347 0.17209 0.50000 1.0000 + Si Si941 1.0 0.43222 0.20334 0.50000 1.0000 + Si Si942 1.0 0.40097 0.23459 0.50000 1.0000 + Si Si943 1.0 0.36972 0.26584 0.50000 1.0000 + Si Si944 1.0 0.33847 0.29709 0.50000 1.0000 + Si Si945 1.0 0.83847 0.85959 0.50000 1.0000 + Si Si946 1.0 0.80722 0.89084 0.50000 1.0000 + Si Si947 1.0 0.77597 0.92209 0.50000 1.0000 + Si Si948 1.0 0.74472 0.95334 0.50000 1.0000 + Si Si949 1.0 0.71347 0.98459 0.50000 1.0000 + Si Si950 1.0 0.68222 0.01584 0.50000 1.0000 + Si Si951 1.0 0.65097 0.04709 0.50000 1.0000 + Si Si952 1.0 0.61972 0.07834 0.50000 1.0000 + Si Si953 1.0 0.58847 0.10959 0.50000 1.0000 + Si Si954 1.0 0.55722 0.14084 0.50000 1.0000 + Si Si955 1.0 0.52597 0.17209 0.50000 1.0000 + Si Si956 1.0 0.49472 0.20334 0.50000 1.0000 + Si Si957 1.0 0.46347 0.23459 0.50000 1.0000 + Si Si958 1.0 0.43222 0.26584 0.50000 1.0000 + Si Si959 1.0 0.40097 0.29709 0.50000 1.0000 + Si Si960 1.0 0.36972 0.32834 0.50000 1.0000 + Si Si961 1.0 0.86972 0.89084 0.50000 1.0000 + Si Si962 1.0 0.83847 0.92209 0.50000 1.0000 + Si Si963 1.0 0.80722 0.95334 0.50000 1.0000 + Si Si964 1.0 0.77597 0.98459 0.50000 1.0000 + Si Si965 1.0 0.74472 0.01584 0.50000 1.0000 + Si Si966 1.0 0.71347 0.04709 0.50000 1.0000 + Si Si967 1.0 0.68222 0.07834 0.50000 1.0000 + Si Si968 1.0 0.65097 0.10959 0.50000 1.0000 + Si Si969 1.0 0.61972 0.14084 0.50000 1.0000 + Si Si970 1.0 0.58847 0.17209 0.50000 1.0000 + Si Si971 1.0 0.55722 0.20334 0.50000 1.0000 + Si Si972 1.0 0.52597 0.23459 0.50000 1.0000 + Si Si973 1.0 0.49472 0.26584 0.50000 1.0000 + Si Si974 1.0 0.46347 0.29709 0.50000 1.0000 + Si Si975 1.0 0.43222 0.32834 0.50000 1.0000 + Si Si976 1.0 0.40097 0.35959 0.50000 1.0000 + Si Si977 1.0 0.90097 0.92209 0.50000 1.0000 + Si Si978 1.0 0.86972 0.95334 0.50000 1.0000 + Si Si979 1.0 0.83847 0.98459 0.50000 1.0000 + Si Si980 1.0 0.80722 0.01584 0.50000 1.0000 + Si Si981 1.0 0.77597 0.04709 0.50000 1.0000 + Si Si982 1.0 0.74472 0.07834 0.50000 1.0000 + Si Si983 1.0 0.71347 0.10959 0.50000 1.0000 + Si Si984 1.0 0.68222 0.14084 0.50000 1.0000 + Si Si985 1.0 0.65097 0.17209 0.50000 1.0000 + Si Si986 1.0 0.61972 0.20334 0.50000 1.0000 + Si Si987 1.0 0.58847 0.23459 0.50000 1.0000 + Si Si988 1.0 0.55722 0.26584 0.50000 1.0000 + Si Si989 1.0 0.52597 0.29709 0.50000 1.0000 + Si Si990 1.0 0.49472 0.32834 0.50000 1.0000 + Si Si991 1.0 0.46347 0.35959 0.50000 1.0000 + Si Si992 1.0 0.43222 0.39084 0.50000 1.0000 + Si Si993 1.0 0.93222 0.95334 0.50000 1.0000 + Si Si994 1.0 0.90097 0.98459 0.50000 1.0000 + Si Si995 1.0 0.86972 0.01584 0.50000 1.0000 + Si Si996 1.0 0.83847 0.04709 0.50000 1.0000 + Si Si997 1.0 0.80722 0.07834 0.50000 1.0000 + Si Si998 1.0 0.77597 0.10959 0.50000 1.0000 + Si Si999 1.0 0.74472 0.14084 0.50000 1.0000 + Si Si1000 1.0 0.71347 0.17209 0.50000 1.0000 + Si Si1001 1.0 0.68222 0.20334 0.50000 1.0000 + Si Si1002 1.0 0.65097 0.23459 0.50000 1.0000 + Si Si1003 1.0 0.61972 0.26584 0.50000 1.0000 + Si Si1004 1.0 0.58847 0.29709 0.50000 1.0000 + Si Si1005 1.0 0.55722 0.32834 0.50000 1.0000 + Si Si1006 1.0 0.52597 0.35959 0.50000 1.0000 + Si Si1007 1.0 0.49472 0.39084 0.50000 1.0000 + Si Si1008 1.0 0.46347 0.42209 0.50000 1.0000 + Si Si1009 1.0 0.96347 0.98459 0.50000 1.0000 + Si Si1010 1.0 0.93222 0.01584 0.50000 1.0000 + Si Si1011 1.0 0.90097 0.04709 0.50000 1.0000 + Si Si1012 1.0 0.86972 0.07834 0.50000 1.0000 + Si Si1013 1.0 0.83847 0.10959 0.50000 1.0000 + Si Si1014 1.0 0.80722 0.14084 0.50000 1.0000 + Si Si1015 1.0 0.77597 0.17209 0.50000 1.0000 + Si Si1016 1.0 0.74472 0.20334 0.50000 1.0000 + Si Si1017 1.0 0.71347 0.23459 0.50000 1.0000 + Si Si1018 1.0 0.68222 0.26584 0.50000 1.0000 + Si Si1019 1.0 0.65097 0.29709 0.50000 1.0000 + Si Si1020 1.0 0.61972 0.32834 0.50000 1.0000 + Si Si1021 1.0 0.58847 0.35959 0.50000 1.0000 + Si Si1022 1.0 0.55722 0.39084 0.50000 1.0000 + Si Si1023 1.0 0.52597 0.42209 0.50000 1.0000 + Si Si1024 1.0 0.49472 0.45334 0.50000 1.0000 + Si Si1025 1.0 0.47931 0.53125 0.50000 1.0000 + Si Si1026 1.0 0.44806 0.56250 0.50000 1.0000 + Si Si1027 1.0 0.41681 0.59375 0.50000 1.0000 + Si Si1028 1.0 0.38556 0.62500 0.50000 1.0000 + Si Si1029 1.0 0.35431 0.65625 0.50000 1.0000 + Si Si1030 1.0 0.32306 0.68750 0.50000 1.0000 + Si Si1031 1.0 0.29181 0.71875 0.50000 1.0000 + Si Si1032 1.0 0.26056 0.75000 0.50000 1.0000 + Si Si1033 1.0 0.22931 0.78125 0.50000 1.0000 + Si Si1034 1.0 0.19806 0.81250 0.50000 1.0000 + Si Si1035 1.0 0.16681 0.84375 0.50000 1.0000 + Si Si1036 1.0 0.13556 0.87500 0.50000 1.0000 + Si Si1037 1.0 0.10431 0.90625 0.50000 1.0000 + Si Si1038 1.0 0.07306 0.93750 0.50000 1.0000 + Si Si1039 1.0 0.04181 0.96875 0.50000 1.0000 + Si Si1040 1.0 0.01056 0.00000 0.50000 1.0000 + Si Si1041 1.0 0.51056 0.56250 0.50000 1.0000 + Si Si1042 1.0 0.47931 0.59375 0.50000 1.0000 + Si Si1043 1.0 0.44806 0.62500 0.50000 1.0000 + Si Si1044 1.0 0.41681 0.65625 0.50000 1.0000 + Si Si1045 1.0 0.38556 0.68750 0.50000 1.0000 + Si Si1046 1.0 0.35431 0.71875 0.50000 1.0000 + Si Si1047 1.0 0.32306 0.75000 0.50000 1.0000 + Si Si1048 1.0 0.29181 0.78125 0.50000 1.0000 + Si Si1049 1.0 0.26056 0.81250 0.50000 1.0000 + Si Si1050 1.0 0.22931 0.84375 0.50000 1.0000 + Si Si1051 1.0 0.19806 0.87500 0.50000 1.0000 + Si Si1052 1.0 0.16681 0.90625 0.50000 1.0000 + Si Si1053 1.0 0.13556 0.93750 0.50000 1.0000 + Si Si1054 1.0 0.10431 0.96875 0.50000 1.0000 + Si Si1055 1.0 0.07306 0.00000 0.50000 1.0000 + Si Si1056 1.0 0.04181 0.03125 0.50000 1.0000 + Si Si1057 1.0 0.54181 0.59375 0.50000 1.0000 + Si Si1058 1.0 0.51056 0.62500 0.50000 1.0000 + Si Si1059 1.0 0.47931 0.65625 0.50000 1.0000 + Si Si1060 1.0 0.44806 0.68750 0.50000 1.0000 + Si Si1061 1.0 0.41681 0.71875 0.50000 1.0000 + Si Si1062 1.0 0.38556 0.75000 0.50000 1.0000 + Si Si1063 1.0 0.35431 0.78125 0.50000 1.0000 + Si Si1064 1.0 0.32306 0.81250 0.50000 1.0000 + Si Si1065 1.0 0.29181 0.84375 0.50000 1.0000 + Si Si1066 1.0 0.26056 0.87500 0.50000 1.0000 + Si Si1067 1.0 0.22931 0.90625 0.50000 1.0000 + Si Si1068 1.0 0.19806 0.93750 0.50000 1.0000 + Si Si1069 1.0 0.16681 0.96875 0.50000 1.0000 + Si Si1070 1.0 0.13556 0.00000 0.50000 1.0000 + Si Si1071 1.0 0.10431 0.03125 0.50000 1.0000 + Si Si1072 1.0 0.07306 0.06250 0.50000 1.0000 + Si Si1073 1.0 0.57306 0.62500 0.50000 1.0000 + Si Si1074 1.0 0.54181 0.65625 0.50000 1.0000 + Si Si1075 1.0 0.51056 0.68750 0.50000 1.0000 + Si Si1076 1.0 0.47931 0.71875 0.50000 1.0000 + Si Si1077 1.0 0.44806 0.75000 0.50000 1.0000 + Si Si1078 1.0 0.41681 0.78125 0.50000 1.0000 + Si Si1079 1.0 0.38556 0.81250 0.50000 1.0000 + Si Si1080 1.0 0.35431 0.84375 0.50000 1.0000 + Si Si1081 1.0 0.32306 0.87500 0.50000 1.0000 + Si Si1082 1.0 0.29181 0.90625 0.50000 1.0000 + Si Si1083 1.0 0.26056 0.93750 0.50000 1.0000 + Si Si1084 1.0 0.22931 0.96875 0.50000 1.0000 + Si Si1085 1.0 0.19806 0.00000 0.50000 1.0000 + Si Si1086 1.0 0.16681 0.03125 0.50000 1.0000 + Si Si1087 1.0 0.13556 0.06250 0.50000 1.0000 + Si Si1088 1.0 0.10431 0.09375 0.50000 1.0000 + Si Si1089 1.0 0.60431 0.65625 0.50000 1.0000 + Si Si1090 1.0 0.57306 0.68750 0.50000 1.0000 + Si Si1091 1.0 0.54181 0.71875 0.50000 1.0000 + Si Si1092 1.0 0.51056 0.75000 0.50000 1.0000 + Si Si1093 1.0 0.47931 0.78125 0.50000 1.0000 + Si Si1094 1.0 0.44806 0.81250 0.50000 1.0000 + Si Si1095 1.0 0.41681 0.84375 0.50000 1.0000 + Si Si1096 1.0 0.38556 0.87500 0.50000 1.0000 + Si Si1097 1.0 0.35431 0.90625 0.50000 1.0000 + Si Si1098 1.0 0.32306 0.93750 0.50000 1.0000 + Si Si1099 1.0 0.29181 0.96875 0.50000 1.0000 + Si Si1100 1.0 0.26056 0.00000 0.50000 1.0000 + Si Si1101 1.0 0.22931 0.03125 0.50000 1.0000 + Si Si1102 1.0 0.19806 0.06250 0.50000 1.0000 + Si Si1103 1.0 0.16681 0.09375 0.50000 1.0000 + Si Si1104 1.0 0.13556 0.12500 0.50000 1.0000 + Si Si1105 1.0 0.63556 0.68750 0.50000 1.0000 + Si Si1106 1.0 0.60431 0.71875 0.50000 1.0000 + Si Si1107 1.0 0.57306 0.75000 0.50000 1.0000 + Si Si1108 1.0 0.54181 0.78125 0.50000 1.0000 + Si Si1109 1.0 0.51056 0.81250 0.50000 1.0000 + Si Si1110 1.0 0.47931 0.84375 0.50000 1.0000 + Si Si1111 1.0 0.44806 0.87500 0.50000 1.0000 + Si Si1112 1.0 0.41681 0.90625 0.50000 1.0000 + Si Si1113 1.0 0.38556 0.93750 0.50000 1.0000 + Si Si1114 1.0 0.35431 0.96875 0.50000 1.0000 + Si Si1115 1.0 0.32306 0.00000 0.50000 1.0000 + Si Si1116 1.0 0.29181 0.03125 0.50000 1.0000 + Si Si1117 1.0 0.26056 0.06250 0.50000 1.0000 + Si Si1118 1.0 0.22931 0.09375 0.50000 1.0000 + Si Si1119 1.0 0.19806 0.12500 0.50000 1.0000 + Si Si1120 1.0 0.16681 0.15625 0.50000 1.0000 + Si Si1121 1.0 0.66681 0.71875 0.50000 1.0000 + Si Si1122 1.0 0.63556 0.75000 0.50000 1.0000 + Si Si1123 1.0 0.60431 0.78125 0.50000 1.0000 + Si Si1124 1.0 0.57306 0.81250 0.50000 1.0000 + Si Si1125 1.0 0.54181 0.84375 0.50000 1.0000 + Si Si1126 1.0 0.51056 0.87500 0.50000 1.0000 + Si Si1127 1.0 0.47931 0.90625 0.50000 1.0000 + Si Si1128 1.0 0.44806 0.93750 0.50000 1.0000 + Si Si1129 1.0 0.41681 0.96875 0.50000 1.0000 + Si Si1130 1.0 0.38556 0.00000 0.50000 1.0000 + Si Si1131 1.0 0.35431 0.03125 0.50000 1.0000 + Si Si1132 1.0 0.32306 0.06250 0.50000 1.0000 + Si Si1133 1.0 0.29181 0.09375 0.50000 1.0000 + Si Si1134 1.0 0.26056 0.12500 0.50000 1.0000 + Si Si1135 1.0 0.22931 0.15625 0.50000 1.0000 + Si Si1136 1.0 0.19806 0.18750 0.50000 1.0000 + Si Si1137 1.0 0.69806 0.75000 0.50000 1.0000 + Si Si1138 1.0 0.66681 0.78125 0.50000 1.0000 + Si Si1139 1.0 0.63556 0.81250 0.50000 1.0000 + Si Si1140 1.0 0.60431 0.84375 0.50000 1.0000 + Si Si1141 1.0 0.57306 0.87500 0.50000 1.0000 + Si Si1142 1.0 0.54181 0.90625 0.50000 1.0000 + Si Si1143 1.0 0.51056 0.93750 0.50000 1.0000 + Si Si1144 1.0 0.47931 0.96875 0.50000 1.0000 + Si Si1145 1.0 0.44806 0.00000 0.50000 1.0000 + Si Si1146 1.0 0.41681 0.03125 0.50000 1.0000 + Si Si1147 1.0 0.38556 0.06250 0.50000 1.0000 + Si Si1148 1.0 0.35431 0.09375 0.50000 1.0000 + Si Si1149 1.0 0.32306 0.12500 0.50000 1.0000 + Si Si1150 1.0 0.29181 0.15625 0.50000 1.0000 + Si Si1151 1.0 0.26056 0.18750 0.50000 1.0000 + Si Si1152 1.0 0.22931 0.21875 0.50000 1.0000 + Si Si1153 1.0 0.72931 0.78125 0.50000 1.0000 + Si Si1154 1.0 0.69806 0.81250 0.50000 1.0000 + Si Si1155 1.0 0.66681 0.84375 0.50000 1.0000 + Si Si1156 1.0 0.63556 0.87500 0.50000 1.0000 + Si Si1157 1.0 0.60431 0.90625 0.50000 1.0000 + Si Si1158 1.0 0.57306 0.93750 0.50000 1.0000 + Si Si1159 1.0 0.54181 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0.50000 1.0000 + Si Si1181 1.0 0.38556 0.18750 0.50000 1.0000 + Si Si1182 1.0 0.35431 0.21875 0.50000 1.0000 + Si Si1183 1.0 0.32306 0.25000 0.50000 1.0000 + Si Si1184 1.0 0.29181 0.28125 0.50000 1.0000 + Si Si1185 1.0 0.79181 0.84375 0.50000 1.0000 + Si Si1186 1.0 0.76056 0.87500 0.50000 1.0000 + Si Si1187 1.0 0.72931 0.90625 0.50000 1.0000 + Si Si1188 1.0 0.69806 0.93750 0.50000 1.0000 + Si Si1189 1.0 0.66681 0.96875 0.50000 1.0000 + Si Si1190 1.0 0.63556 0.00000 0.50000 1.0000 + Si Si1191 1.0 0.60431 0.03125 0.50000 1.0000 + Si Si1192 1.0 0.57306 0.06250 0.50000 1.0000 + Si Si1193 1.0 0.54181 0.09375 0.50000 1.0000 + Si Si1194 1.0 0.51056 0.12500 0.50000 1.0000 + Si Si1195 1.0 0.47931 0.15625 0.50000 1.0000 + Si Si1196 1.0 0.44806 0.18750 0.50000 1.0000 + Si Si1197 1.0 0.41681 0.21875 0.50000 1.0000 + Si Si1198 1.0 0.38556 0.25000 0.50000 1.0000 + Si Si1199 1.0 0.35431 0.28125 0.50000 1.0000 + Si Si1200 1.0 0.32306 0.31250 0.50000 1.0000 + Si Si1201 1.0 0.82306 0.87500 0.50000 1.0000 + Si Si1202 1.0 0.79181 0.90625 0.50000 1.0000 + Si Si1203 1.0 0.76056 0.93750 0.50000 1.0000 + Si Si1204 1.0 0.72931 0.96875 0.50000 1.0000 + Si Si1205 1.0 0.69806 0.00000 0.50000 1.0000 + Si Si1206 1.0 0.66681 0.03125 0.50000 1.0000 + Si Si1207 1.0 0.63556 0.06250 0.50000 1.0000 + Si Si1208 1.0 0.60431 0.09375 0.50000 1.0000 + Si Si1209 1.0 0.57306 0.12500 0.50000 1.0000 + Si Si1210 1.0 0.54181 0.15625 0.50000 1.0000 + Si Si1211 1.0 0.51056 0.18750 0.50000 1.0000 + Si Si1212 1.0 0.47931 0.21875 0.50000 1.0000 + Si Si1213 1.0 0.44806 0.25000 0.50000 1.0000 + Si Si1214 1.0 0.41681 0.28125 0.50000 1.0000 + Si Si1215 1.0 0.38556 0.31250 0.50000 1.0000 + Si Si1216 1.0 0.35431 0.34375 0.50000 1.0000 + Si Si1217 1.0 0.85431 0.90625 0.50000 1.0000 + Si Si1218 1.0 0.82306 0.93750 0.50000 1.0000 + Si Si1219 1.0 0.79181 0.96875 0.50000 1.0000 + Si Si1220 1.0 0.76056 0.00000 0.50000 1.0000 + Si Si1221 1.0 0.72931 0.03125 0.50000 1.0000 + Si Si1222 1.0 0.69806 0.06250 0.50000 1.0000 + Si Si1223 1.0 0.66681 0.09375 0.50000 1.0000 + Si Si1224 1.0 0.63556 0.12500 0.50000 1.0000 + Si Si1225 1.0 0.60431 0.15625 0.50000 1.0000 + Si Si1226 1.0 0.57306 0.18750 0.50000 1.0000 + Si Si1227 1.0 0.54181 0.21875 0.50000 1.0000 + Si Si1228 1.0 0.51056 0.25000 0.50000 1.0000 + Si Si1229 1.0 0.47931 0.28125 0.50000 1.0000 + Si Si1230 1.0 0.44806 0.31250 0.50000 1.0000 + Si Si1231 1.0 0.41681 0.34375 0.50000 1.0000 + Si Si1232 1.0 0.38556 0.37500 0.50000 1.0000 + Si Si1233 1.0 0.88556 0.93750 0.50000 1.0000 + Si Si1234 1.0 0.85431 0.96875 0.50000 1.0000 + Si Si1235 1.0 0.82306 0.00000 0.50000 1.0000 + Si Si1236 1.0 0.79181 0.03125 0.50000 1.0000 + Si Si1237 1.0 0.76056 0.06250 0.50000 1.0000 + Si Si1238 1.0 0.72931 0.09375 0.50000 1.0000 + Si Si1239 1.0 0.69806 0.12500 0.50000 1.0000 + Si Si1240 1.0 0.66681 0.15625 0.50000 1.0000 + Si Si1241 1.0 0.63556 0.18750 0.50000 1.0000 + Si Si1242 1.0 0.60431 0.21875 0.50000 1.0000 + Si Si1243 1.0 0.57306 0.25000 0.50000 1.0000 + Si Si1244 1.0 0.54181 0.28125 0.50000 1.0000 + Si Si1245 1.0 0.51056 0.31250 0.50000 1.0000 + Si Si1246 1.0 0.47931 0.34375 0.50000 1.0000 + Si Si1247 1.0 0.44806 0.37500 0.50000 1.0000 + Si Si1248 1.0 0.41681 0.40625 0.50000 1.0000 + Si Si1249 1.0 0.91681 0.96875 0.50000 1.0000 + Si Si1250 1.0 0.88556 1.00000 0.50000 1.0000 + Si Si1251 1.0 0.85431 0.03125 0.50000 1.0000 + Si Si1252 1.0 0.82306 0.06250 0.50000 1.0000 + Si Si1253 1.0 0.79181 0.09375 0.50000 1.0000 + Si Si1254 1.0 0.76056 0.12500 0.50000 1.0000 + Si Si1255 1.0 0.72931 0.15625 0.50000 1.0000 + Si Si1256 1.0 0.69806 0.18750 0.50000 1.0000 + Si Si1257 1.0 0.66681 0.21875 0.50000 1.0000 + Si Si1258 1.0 0.63556 0.25000 0.50000 1.0000 + Si Si1259 1.0 0.60431 0.28125 0.50000 1.0000 + Si Si1260 1.0 0.57306 0.31250 0.50000 1.0000 + Si Si1261 1.0 0.54181 0.34375 0.50000 1.0000 + Si Si1262 1.0 0.51056 0.37500 0.50000 1.0000 + Si Si1263 1.0 0.47931 0.40625 0.50000 1.0000 + Si Si1264 1.0 0.44806 0.43750 0.50000 1.0000 + Si Si1265 1.0 0.94806 1.00000 0.50000 1.0000 + Si Si1266 1.0 0.91681 0.03125 0.50000 1.0000 + Si Si1267 1.0 0.88556 0.06250 0.50000 1.0000 + Si Si1268 1.0 0.85431 0.09375 0.50000 1.0000 + Si Si1269 1.0 0.82306 0.12500 0.50000 1.0000 + Si Si1270 1.0 0.79181 0.15625 0.50000 1.0000 + Si Si1271 1.0 0.76056 0.18750 0.50000 1.0000 + Si Si1272 1.0 0.72931 0.21875 0.50000 1.0000 + Si Si1273 1.0 0.69806 0.25000 0.50000 1.0000 + Si Si1274 1.0 0.66681 0.28125 0.50000 1.0000 + Si Si1275 1.0 0.63556 0.31250 0.50000 1.0000 + Si Si1276 1.0 0.60431 0.34375 0.50000 1.0000 + Si Si1277 1.0 0.57306 0.37500 0.50000 1.0000 + Si Si1278 1.0 0.54181 0.40625 0.50000 1.0000 + Si Si1279 1.0 0.51056 0.43750 0.50000 1.0000 + Si Si1280 1.0 0.47931 0.46875 0.50000 1.0000 + Si Si1281 1.0 0.49472 0.54666 0.50000 1.0000 + Si Si1282 1.0 0.46347 0.57791 0.50000 1.0000 + Si Si1283 1.0 0.43222 0.60916 0.50000 1.0000 + Si Si1284 1.0 0.40097 0.64041 0.50000 1.0000 + Si Si1285 1.0 0.36972 0.67166 0.50000 1.0000 + Si Si1286 1.0 0.33847 0.70291 0.50000 1.0000 + Si Si1287 1.0 0.30722 0.73416 0.50000 1.0000 + Si Si1288 1.0 0.27597 0.76541 0.50000 1.0000 + Si Si1289 1.0 0.24472 0.79666 0.50000 1.0000 + Si Si1290 1.0 0.21347 0.82791 0.50000 1.0000 + Si Si1291 1.0 0.18222 0.85916 0.50000 1.0000 + Si Si1292 1.0 0.15097 0.89041 0.50000 1.0000 + Si Si1293 1.0 0.11972 0.92166 0.50000 1.0000 + Si Si1294 1.0 0.08847 0.95291 0.50000 1.0000 + Si Si1295 1.0 0.05722 0.98416 0.50000 1.0000 + Si Si1296 1.0 0.02597 0.01541 0.50000 1.0000 + Si Si1297 1.0 0.52597 0.57791 0.50000 1.0000 + Si Si1298 1.0 0.49472 0.60916 0.50000 1.0000 + Si Si1299 1.0 0.46347 0.64041 0.50000 1.0000 + Si Si1300 1.0 0.43222 0.67166 0.50000 1.0000 + Si Si1301 1.0 0.40097 0.70291 0.50000 1.0000 + Si Si1302 1.0 0.36972 0.73416 0.50000 1.0000 + Si Si1303 1.0 0.33847 0.76541 0.50000 1.0000 + Si Si1304 1.0 0.30722 0.79666 0.50000 1.0000 + Si Si1305 1.0 0.27597 0.82791 0.50000 1.0000 + Si Si1306 1.0 0.24472 0.85916 0.50000 1.0000 + Si Si1307 1.0 0.21347 0.89041 0.50000 1.0000 + Si Si1308 1.0 0.18222 0.92166 0.50000 1.0000 + Si Si1309 1.0 0.15097 0.95291 0.50000 1.0000 + Si Si1310 1.0 0.11972 0.98416 0.50000 1.0000 + Si Si1311 1.0 0.08847 0.01541 0.50000 1.0000 + Si Si1312 1.0 0.05722 0.04666 0.50000 1.0000 + Si Si1313 1.0 0.55722 0.60916 0.50000 1.0000 + Si Si1314 1.0 0.52597 0.64041 0.50000 1.0000 + Si Si1315 1.0 0.49472 0.67166 0.50000 1.0000 + Si Si1316 1.0 0.46347 0.70291 0.50000 1.0000 + Si Si1317 1.0 0.43222 0.73416 0.50000 1.0000 + Si Si1318 1.0 0.40097 0.76541 0.50000 1.0000 + Si Si1319 1.0 0.36972 0.79666 0.50000 1.0000 + Si Si1320 1.0 0.33847 0.82791 0.50000 1.0000 + Si Si1321 1.0 0.30722 0.85916 0.50000 1.0000 + Si Si1322 1.0 0.27597 0.89041 0.50000 1.0000 + Si Si1323 1.0 0.24472 0.92166 0.50000 1.0000 + Si Si1324 1.0 0.21347 0.95291 0.50000 1.0000 + Si Si1325 1.0 0.18222 0.98416 0.50000 1.0000 + Si Si1326 1.0 0.15097 0.01541 0.50000 1.0000 + Si Si1327 1.0 0.11972 0.04666 0.50000 1.0000 + Si Si1328 1.0 0.08847 0.07791 0.50000 1.0000 + Si Si1329 1.0 0.58847 0.64041 0.50000 1.0000 + Si Si1330 1.0 0.55722 0.67166 0.50000 1.0000 + Si Si1331 1.0 0.52597 0.70291 0.50000 1.0000 + Si Si1332 1.0 0.49472 0.73416 0.50000 1.0000 + Si Si1333 1.0 0.46347 0.76541 0.50000 1.0000 + Si Si1334 1.0 0.43222 0.79666 0.50000 1.0000 + Si Si1335 1.0 0.40097 0.82791 0.50000 1.0000 + Si Si1336 1.0 0.36972 0.85916 0.50000 1.0000 + Si Si1337 1.0 0.33847 0.89041 0.50000 1.0000 + Si Si1338 1.0 0.30722 0.92166 0.50000 1.0000 + Si Si1339 1.0 0.27597 0.95291 0.50000 1.0000 + Si Si1340 1.0 0.24472 0.98416 0.50000 1.0000 + Si Si1341 1.0 0.21347 0.01541 0.50000 1.0000 + Si Si1342 1.0 0.18222 0.04666 0.50000 1.0000 + Si Si1343 1.0 0.15097 0.07791 0.50000 1.0000 + Si Si1344 1.0 0.11972 0.10916 0.50000 1.0000 + Si Si1345 1.0 0.61972 0.67166 0.50000 1.0000 + Si Si1346 1.0 0.58847 0.70291 0.50000 1.0000 + Si Si1347 1.0 0.55722 0.73416 0.50000 1.0000 + Si Si1348 1.0 0.52597 0.76541 0.50000 1.0000 + Si Si1349 1.0 0.49472 0.79666 0.50000 1.0000 + Si Si1350 1.0 0.46347 0.82791 0.50000 1.0000 + Si Si1351 1.0 0.43222 0.85916 0.50000 1.0000 + Si Si1352 1.0 0.40097 0.89041 0.50000 1.0000 + Si Si1353 1.0 0.36972 0.92166 0.50000 1.0000 + Si Si1354 1.0 0.33847 0.95291 0.50000 1.0000 + Si Si1355 1.0 0.30722 0.98416 0.50000 1.0000 + Si Si1356 1.0 0.27597 0.01541 0.50000 1.0000 + Si Si1357 1.0 0.24472 0.04666 0.50000 1.0000 + Si Si1358 1.0 0.21347 0.07791 0.50000 1.0000 + Si Si1359 1.0 0.18222 0.10916 0.50000 1.0000 + Si Si1360 1.0 0.15097 0.14041 0.50000 1.0000 + Si Si1361 1.0 0.65097 0.70291 0.50000 1.0000 + Si Si1362 1.0 0.61972 0.73416 0.50000 1.0000 + Si Si1363 1.0 0.58847 0.76541 0.50000 1.0000 + Si Si1364 1.0 0.55722 0.79666 0.50000 1.0000 + Si Si1365 1.0 0.52597 0.82791 0.50000 1.0000 + Si Si1366 1.0 0.49472 0.85916 0.50000 1.0000 + Si Si1367 1.0 0.46347 0.89041 0.50000 1.0000 + Si Si1368 1.0 0.43222 0.92166 0.50000 1.0000 + Si Si1369 1.0 0.40097 0.95291 0.50000 1.0000 + Si Si1370 1.0 0.36972 0.98416 0.50000 1.0000 + Si Si1371 1.0 0.33847 0.01541 0.50000 1.0000 + Si Si1372 1.0 0.30722 0.04666 0.50000 1.0000 + Si Si1373 1.0 0.27597 0.07791 0.50000 1.0000 + Si Si1374 1.0 0.24472 0.10916 0.50000 1.0000 + Si Si1375 1.0 0.21347 0.14041 0.50000 1.0000 + Si Si1376 1.0 0.18222 0.17166 0.50000 1.0000 + Si Si1377 1.0 0.68222 0.73416 0.50000 1.0000 + Si Si1378 1.0 0.65097 0.76541 0.50000 1.0000 + Si Si1379 1.0 0.61972 0.79666 0.50000 1.0000 + Si Si1380 1.0 0.58847 0.82791 0.50000 1.0000 + Si Si1381 1.0 0.55722 0.85916 0.50000 1.0000 + Si Si1382 1.0 0.52597 0.89041 0.50000 1.0000 + Si Si1383 1.0 0.49472 0.92166 0.50000 1.0000 + Si Si1384 1.0 0.46347 0.95291 0.50000 1.0000 + Si Si1385 1.0 0.43222 0.98416 0.50000 1.0000 + Si Si1386 1.0 0.40097 0.01541 0.50000 1.0000 + Si Si1387 1.0 0.36972 0.04666 0.50000 1.0000 + Si Si1388 1.0 0.33847 0.07791 0.50000 1.0000 + Si Si1389 1.0 0.30722 0.10916 0.50000 1.0000 + Si Si1390 1.0 0.27597 0.14041 0.50000 1.0000 + Si Si1391 1.0 0.24472 0.17166 0.50000 1.0000 + Si Si1392 1.0 0.21347 0.20291 0.50000 1.0000 + Si Si1393 1.0 0.71347 0.76541 0.50000 1.0000 + Si Si1394 1.0 0.68222 0.79666 0.50000 1.0000 + Si Si1395 1.0 0.65097 0.82791 0.50000 1.0000 + Si Si1396 1.0 0.61972 0.85916 0.50000 1.0000 + Si Si1397 1.0 0.58847 0.89041 0.50000 1.0000 + Si Si1398 1.0 0.55722 0.92166 0.50000 1.0000 + Si Si1399 1.0 0.52597 0.95291 0.50000 1.0000 + Si Si1400 1.0 0.49472 0.98416 0.50000 1.0000 + Si Si1401 1.0 0.46347 0.01541 0.50000 1.0000 + Si Si1402 1.0 0.43222 0.04666 0.50000 1.0000 + Si Si1403 1.0 0.40097 0.07791 0.50000 1.0000 + Si Si1404 1.0 0.36972 0.10916 0.50000 1.0000 + Si Si1405 1.0 0.33847 0.14041 0.50000 1.0000 + Si Si1406 1.0 0.30722 0.17166 0.50000 1.0000 + Si Si1407 1.0 0.27597 0.20291 0.50000 1.0000 + Si Si1408 1.0 0.24472 0.23416 0.50000 1.0000 + Si Si1409 1.0 0.74472 0.79666 0.50000 1.0000 + Si Si1410 1.0 0.71347 0.82791 0.50000 1.0000 + Si Si1411 1.0 0.68222 0.85916 0.50000 1.0000 + Si Si1412 1.0 0.65097 0.89041 0.50000 1.0000 + Si Si1413 1.0 0.61972 0.92166 0.50000 1.0000 + Si Si1414 1.0 0.58847 0.95291 0.50000 1.0000 + Si Si1415 1.0 0.55722 0.98416 0.50000 1.0000 + Si Si1416 1.0 0.52597 0.01541 0.50000 1.0000 + Si Si1417 1.0 0.49472 0.04666 0.50000 1.0000 + Si Si1418 1.0 0.46347 0.07791 0.50000 1.0000 + Si Si1419 1.0 0.43222 0.10916 0.50000 1.0000 + Si Si1420 1.0 0.40097 0.14041 0.50000 1.0000 + Si Si1421 1.0 0.36972 0.17166 0.50000 1.0000 + Si Si1422 1.0 0.33847 0.20291 0.50000 1.0000 + Si Si1423 1.0 0.30722 0.23416 0.50000 1.0000 + Si Si1424 1.0 0.27597 0.26541 0.50000 1.0000 + Si Si1425 1.0 0.77597 0.82791 0.50000 1.0000 + Si Si1426 1.0 0.74472 0.85916 0.50000 1.0000 + Si Si1427 1.0 0.71347 0.89041 0.50000 1.0000 + Si Si1428 1.0 0.68222 0.92166 0.50000 1.0000 + Si Si1429 1.0 0.65097 0.95291 0.50000 1.0000 + Si Si1430 1.0 0.61972 0.98416 0.50000 1.0000 + Si Si1431 1.0 0.58847 0.01541 0.50000 1.0000 + Si Si1432 1.0 0.55722 0.04666 0.50000 1.0000 + Si Si1433 1.0 0.52597 0.07791 0.50000 1.0000 + Si Si1434 1.0 0.49472 0.10916 0.50000 1.0000 + Si Si1435 1.0 0.46347 0.14041 0.50000 1.0000 + Si Si1436 1.0 0.43222 0.17166 0.50000 1.0000 + Si Si1437 1.0 0.40097 0.20291 0.50000 1.0000 + Si Si1438 1.0 0.36972 0.23416 0.50000 1.0000 + Si Si1439 1.0 0.33847 0.26541 0.50000 1.0000 + Si Si1440 1.0 0.30722 0.29666 0.50000 1.0000 + Si Si1441 1.0 0.80722 0.85916 0.50000 1.0000 + Si Si1442 1.0 0.77597 0.89041 0.50000 1.0000 + Si Si1443 1.0 0.74472 0.92166 0.50000 1.0000 + Si Si1444 1.0 0.71347 0.95291 0.50000 1.0000 + Si Si1445 1.0 0.68222 0.98416 0.50000 1.0000 + Si Si1446 1.0 0.65097 0.01541 0.50000 1.0000 + Si Si1447 1.0 0.61972 0.04666 0.50000 1.0000 + Si Si1448 1.0 0.58847 0.07791 0.50000 1.0000 + Si Si1449 1.0 0.55722 0.10916 0.50000 1.0000 + Si Si1450 1.0 0.52597 0.14041 0.50000 1.0000 + Si Si1451 1.0 0.49472 0.17166 0.50000 1.0000 + Si Si1452 1.0 0.46347 0.20291 0.50000 1.0000 + Si Si1453 1.0 0.43222 0.23416 0.50000 1.0000 + Si Si1454 1.0 0.40097 0.26541 0.50000 1.0000 + Si Si1455 1.0 0.36972 0.29666 0.50000 1.0000 + Si Si1456 1.0 0.33847 0.32791 0.50000 1.0000 + Si Si1457 1.0 0.83847 0.89041 0.50000 1.0000 + Si Si1458 1.0 0.80722 0.92166 0.50000 1.0000 + Si Si1459 1.0 0.77597 0.95291 0.50000 1.0000 + Si Si1460 1.0 0.74472 0.98416 0.50000 1.0000 + Si Si1461 1.0 0.71347 0.01541 0.50000 1.0000 + Si Si1462 1.0 0.68222 0.04666 0.50000 1.0000 + Si Si1463 1.0 0.65097 0.07791 0.50000 1.0000 + Si Si1464 1.0 0.61972 0.10916 0.50000 1.0000 + Si Si1465 1.0 0.58847 0.14041 0.50000 1.0000 + Si Si1466 1.0 0.55722 0.17166 0.50000 1.0000 + Si Si1467 1.0 0.52597 0.20291 0.50000 1.0000 + Si Si1468 1.0 0.49472 0.23416 0.50000 1.0000 + Si Si1469 1.0 0.46347 0.26541 0.50000 1.0000 + Si Si1470 1.0 0.43222 0.29666 0.50000 1.0000 + Si Si1471 1.0 0.40097 0.32791 0.50000 1.0000 + Si Si1472 1.0 0.36972 0.35916 0.50000 1.0000 + Si Si1473 1.0 0.86972 0.92166 0.50000 1.0000 + Si Si1474 1.0 0.83847 0.95291 0.50000 1.0000 + Si Si1475 1.0 0.80722 0.98416 0.50000 1.0000 + Si Si1476 1.0 0.77597 0.01541 0.50000 1.0000 + Si Si1477 1.0 0.74472 0.04666 0.50000 1.0000 + Si Si1478 1.0 0.71347 0.07791 0.50000 1.0000 + Si Si1479 1.0 0.68222 0.10916 0.50000 1.0000 + Si Si1480 1.0 0.65097 0.14041 0.50000 1.0000 + Si Si1481 1.0 0.61972 0.17166 0.50000 1.0000 + Si Si1482 1.0 0.58847 0.20291 0.50000 1.0000 + Si Si1483 1.0 0.55722 0.23416 0.50000 1.0000 + Si Si1484 1.0 0.52597 0.26541 0.50000 1.0000 + Si Si1485 1.0 0.49472 0.29666 0.50000 1.0000 + Si Si1486 1.0 0.46347 0.32791 0.50000 1.0000 + Si Si1487 1.0 0.43222 0.35916 0.50000 1.0000 + Si Si1488 1.0 0.40097 0.39041 0.50000 1.0000 + Si Si1489 1.0 0.90097 0.95291 0.50000 1.0000 + Si Si1490 1.0 0.86972 0.98416 0.50000 1.0000 + Si Si1491 1.0 0.83847 0.01541 0.50000 1.0000 + Si Si1492 1.0 0.80722 0.04666 0.50000 1.0000 + Si Si1493 1.0 0.77597 0.07791 0.50000 1.0000 + Si Si1494 1.0 0.74472 0.10916 0.50000 1.0000 + Si Si1495 1.0 0.71347 0.14041 0.50000 1.0000 + Si Si1496 1.0 0.68222 0.17166 0.50000 1.0000 + Si Si1497 1.0 0.65097 0.20291 0.50000 1.0000 + Si Si1498 1.0 0.61972 0.23416 0.50000 1.0000 + Si Si1499 1.0 0.58847 0.26541 0.50000 1.0000 + Si Si1500 1.0 0.55722 0.29666 0.50000 1.0000 + Si Si1501 1.0 0.52597 0.32791 0.50000 1.0000 + Si Si1502 1.0 0.49472 0.35916 0.50000 1.0000 + Si Si1503 1.0 0.46347 0.39041 0.50000 1.0000 + Si Si1504 1.0 0.43222 0.42166 0.50000 1.0000 + Si Si1505 1.0 0.93222 0.98416 0.50000 1.0000 + Si Si1506 1.0 0.90097 0.01541 0.50000 1.0000 + Si Si1507 1.0 0.86972 0.04666 0.50000 1.0000 + Si Si1508 1.0 0.83847 0.07791 0.50000 1.0000 + Si Si1509 1.0 0.80722 0.10916 0.50000 1.0000 + Si Si1510 1.0 0.77597 0.14041 0.50000 1.0000 + Si Si1511 1.0 0.74472 0.17166 0.50000 1.0000 + Si Si1512 1.0 0.71347 0.20291 0.50000 1.0000 + Si Si1513 1.0 0.68222 0.23416 0.50000 1.0000 + Si Si1514 1.0 0.65097 0.26541 0.50000 1.0000 + Si Si1515 1.0 0.61972 0.29666 0.50000 1.0000 + Si Si1516 1.0 0.58847 0.32791 0.50000 1.0000 + Si Si1517 1.0 0.55722 0.35916 0.50000 1.0000 + Si Si1518 1.0 0.52597 0.39041 0.50000 1.0000 + Si Si1519 1.0 0.49472 0.42166 0.50000 1.0000 + Si Si1520 1.0 0.46347 0.45291 0.50000 1.0000 + Si Si1521 1.0 0.96347 0.01541 0.50000 1.0000 + Si Si1522 1.0 0.93222 0.04666 0.50000 1.0000 + Si Si1523 1.0 0.90097 0.07791 0.50000 1.0000 + Si Si1524 1.0 0.86972 0.10916 0.50000 1.0000 + Si Si1525 1.0 0.83847 0.14041 0.50000 1.0000 + Si Si1526 1.0 0.80722 0.17166 0.50000 1.0000 + Si Si1527 1.0 0.77597 0.20291 0.50000 1.0000 + Si Si1528 1.0 0.74472 0.23416 0.50000 1.0000 + Si Si1529 1.0 0.71347 0.26541 0.50000 1.0000 + Si Si1530 1.0 0.68222 0.29666 0.50000 1.0000 + Si Si1531 1.0 0.65097 0.32791 0.50000 1.0000 + Si Si1532 1.0 0.61972 0.35916 0.50000 1.0000 + Si Si1533 1.0 0.58847 0.39041 0.50000 1.0000 + Si Si1534 1.0 0.55722 0.42166 0.50000 1.0000 + Si Si1535 1.0 0.52597 0.45291 0.50000 1.0000 + Si Si1536 1.0 0.49472 0.48416 0.50000 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4108_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4108_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..51dd76bb0436496627a77144785afb4dd3193e25 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4108_supercell_12x12x1.cif @@ -0,0 +1,1897 @@ +data_image0 +_chemical_formula_structural Zn288Cr432O1152 +_chemical_formula_sum "Zn288 Cr432 O1152" +_cell_length_a 61.6047 +_cell_length_b 70.517 +_cell_length_c 6.95539 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Zn Zn1 1.0 0.02158 0.00000 0.71245 1.0000 + Zn Zn2 1.0 0.02158 0.08333 0.71245 1.0000 + Zn Zn3 1.0 0.02158 0.16667 0.71245 1.0000 + Zn Zn4 1.0 0.02158 0.25000 0.71245 1.0000 + Zn Zn5 1.0 0.02158 0.33333 0.71245 1.0000 + Zn Zn6 1.0 0.02158 0.41667 0.71245 1.0000 + Zn Zn7 1.0 0.02158 0.50000 0.71245 1.0000 + Zn Zn8 1.0 0.02158 0.58333 0.71245 1.0000 + Zn Zn9 1.0 0.02158 0.66667 0.71245 1.0000 + Zn Zn10 1.0 0.02158 0.75000 0.71245 1.0000 + Zn Zn11 1.0 0.02158 0.83333 0.71245 1.0000 + Zn Zn12 1.0 0.02158 0.91667 0.71245 1.0000 + Zn Zn13 1.0 0.10491 0.00000 0.71245 1.0000 + Zn Zn14 1.0 0.10491 0.08333 0.71245 1.0000 + Zn Zn15 1.0 0.10491 0.16667 0.71245 1.0000 + Zn Zn16 1.0 0.10491 0.25000 0.71245 1.0000 + Zn Zn17 1.0 0.10491 0.33333 0.71245 1.0000 + Zn Zn18 1.0 0.10491 0.41667 0.71245 1.0000 + Zn Zn19 1.0 0.10491 0.50000 0.71245 1.0000 + Zn Zn20 1.0 0.10491 0.58333 0.71245 1.0000 + Zn Zn21 1.0 0.10491 0.66667 0.71245 1.0000 + Zn Zn22 1.0 0.10491 0.75000 0.71245 1.0000 + Zn Zn23 1.0 0.10491 0.83333 0.71245 1.0000 + Zn Zn24 1.0 0.10491 0.91667 0.71245 1.0000 + Zn Zn25 1.0 0.18824 0.00000 0.71245 1.0000 + Zn Zn26 1.0 0.18824 0.08333 0.71245 1.0000 + Zn Zn27 1.0 0.18824 0.16667 0.71245 1.0000 + Zn Zn28 1.0 0.18824 0.25000 0.71245 1.0000 + Zn Zn29 1.0 0.18824 0.33333 0.71245 1.0000 + Zn Zn30 1.0 0.18824 0.41667 0.71245 1.0000 + Zn Zn31 1.0 0.18824 0.50000 0.71245 1.0000 + Zn Zn32 1.0 0.18824 0.58333 0.71245 1.0000 + Zn Zn33 1.0 0.18824 0.66667 0.71245 1.0000 + Zn Zn34 1.0 0.18824 0.75000 0.71245 1.0000 + Zn Zn35 1.0 0.18824 0.83333 0.71245 1.0000 + Zn Zn36 1.0 0.18824 0.91667 0.71245 1.0000 + Zn Zn37 1.0 0.27158 0.00000 0.71245 1.0000 + Zn Zn38 1.0 0.27158 0.08333 0.71245 1.0000 + Zn Zn39 1.0 0.27158 0.16667 0.71245 1.0000 + Zn Zn40 1.0 0.27158 0.25000 0.71245 1.0000 + Zn Zn41 1.0 0.27158 0.33333 0.71245 1.0000 + Zn Zn42 1.0 0.27158 0.41667 0.71245 1.0000 + Zn Zn43 1.0 0.27158 0.50000 0.71245 1.0000 + Zn Zn44 1.0 0.27158 0.58333 0.71245 1.0000 + Zn Zn45 1.0 0.27158 0.66667 0.71245 1.0000 + Zn Zn46 1.0 0.27158 0.75000 0.71245 1.0000 + Zn Zn47 1.0 0.27158 0.83333 0.71245 1.0000 + Zn Zn48 1.0 0.27158 0.91667 0.71245 1.0000 + Zn Zn49 1.0 0.35491 0.00000 0.71245 1.0000 + Zn Zn50 1.0 0.35491 0.08333 0.71245 1.0000 + Zn Zn51 1.0 0.35491 0.16667 0.71245 1.0000 + Zn Zn52 1.0 0.35491 0.25000 0.71245 1.0000 + Zn Zn53 1.0 0.35491 0.33333 0.71245 1.0000 + Zn Zn54 1.0 0.35491 0.41667 0.71245 1.0000 + Zn Zn55 1.0 0.35491 0.50000 0.71245 1.0000 + Zn Zn56 1.0 0.35491 0.58333 0.71245 1.0000 + Zn Zn57 1.0 0.35491 0.66667 0.71245 1.0000 + Zn Zn58 1.0 0.35491 0.75000 0.71245 1.0000 + Zn Zn59 1.0 0.35491 0.83333 0.71245 1.0000 + Zn Zn60 1.0 0.35491 0.91667 0.71245 1.0000 + Zn Zn61 1.0 0.43824 0.00000 0.71245 1.0000 + Zn Zn62 1.0 0.43824 0.08333 0.71245 1.0000 + Zn Zn63 1.0 0.43824 0.16667 0.71245 1.0000 + Zn Zn64 1.0 0.43824 0.25000 0.71245 1.0000 + Zn Zn65 1.0 0.43824 0.33333 0.71245 1.0000 + Zn Zn66 1.0 0.43824 0.41667 0.71245 1.0000 + Zn Zn67 1.0 0.43824 0.50000 0.71245 1.0000 + Zn Zn68 1.0 0.43824 0.58333 0.71245 1.0000 + Zn Zn69 1.0 0.43824 0.66667 0.71245 1.0000 + Zn Zn70 1.0 0.43824 0.75000 0.71245 1.0000 + Zn Zn71 1.0 0.43824 0.83333 0.71245 1.0000 + Zn Zn72 1.0 0.43824 0.91667 0.71245 1.0000 + Zn Zn73 1.0 0.52158 0.00000 0.71245 1.0000 + Zn Zn74 1.0 0.52158 0.08333 0.71245 1.0000 + Zn Zn75 1.0 0.52158 0.16667 0.71245 1.0000 + Zn Zn76 1.0 0.52158 0.25000 0.71245 1.0000 + Zn Zn77 1.0 0.52158 0.33333 0.71245 1.0000 + Zn Zn78 1.0 0.52158 0.41667 0.71245 1.0000 + Zn Zn79 1.0 0.52158 0.50000 0.71245 1.0000 + Zn Zn80 1.0 0.52158 0.58333 0.71245 1.0000 + Zn Zn81 1.0 0.52158 0.66667 0.71245 1.0000 + Zn Zn82 1.0 0.52158 0.75000 0.71245 1.0000 + Zn Zn83 1.0 0.52158 0.83333 0.71245 1.0000 + Zn Zn84 1.0 0.52158 0.91667 0.71245 1.0000 + Zn Zn85 1.0 0.60491 0.00000 0.71245 1.0000 + Zn Zn86 1.0 0.60491 0.08333 0.71245 1.0000 + Zn Zn87 1.0 0.60491 0.16667 0.71245 1.0000 + Zn Zn88 1.0 0.60491 0.25000 0.71245 1.0000 + Zn Zn89 1.0 0.60491 0.33333 0.71245 1.0000 + Zn Zn90 1.0 0.60491 0.41667 0.71245 1.0000 + Zn Zn91 1.0 0.60491 0.50000 0.71245 1.0000 + Zn Zn92 1.0 0.60491 0.58333 0.71245 1.0000 + Zn Zn93 1.0 0.60491 0.66667 0.71245 1.0000 + Zn Zn94 1.0 0.60491 0.75000 0.71245 1.0000 + Zn Zn95 1.0 0.60491 0.83333 0.71245 1.0000 + Zn Zn96 1.0 0.60491 0.91667 0.71245 1.0000 + Zn Zn97 1.0 0.68824 0.00000 0.71245 1.0000 + Zn Zn98 1.0 0.68824 0.08333 0.71245 1.0000 + Zn Zn99 1.0 0.68824 0.16667 0.71245 1.0000 + Zn Zn100 1.0 0.68824 0.25000 0.71245 1.0000 + Zn Zn101 1.0 0.68824 0.33333 0.71245 1.0000 + Zn Zn102 1.0 0.68824 0.41667 0.71245 1.0000 + Zn Zn103 1.0 0.68824 0.50000 0.71245 1.0000 + Zn Zn104 1.0 0.68824 0.58333 0.71245 1.0000 + Zn Zn105 1.0 0.68824 0.66667 0.71245 1.0000 + Zn Zn106 1.0 0.68824 0.75000 0.71245 1.0000 + Zn Zn107 1.0 0.68824 0.83333 0.71245 1.0000 + Zn Zn108 1.0 0.68824 0.91667 0.71245 1.0000 + Zn Zn109 1.0 0.77158 0.00000 0.71245 1.0000 + Zn Zn110 1.0 0.77158 0.08333 0.71245 1.0000 + Zn Zn111 1.0 0.77158 0.16667 0.71245 1.0000 + Zn Zn112 1.0 0.77158 0.25000 0.71245 1.0000 + Zn Zn113 1.0 0.77158 0.33333 0.71245 1.0000 + Zn Zn114 1.0 0.77158 0.41667 0.71245 1.0000 + Zn Zn115 1.0 0.77158 0.50000 0.71245 1.0000 + Zn Zn116 1.0 0.77158 0.58333 0.71245 1.0000 + Zn Zn117 1.0 0.77158 0.66667 0.71245 1.0000 + Zn Zn118 1.0 0.77158 0.75000 0.71245 1.0000 + Zn Zn119 1.0 0.77158 0.83333 0.71245 1.0000 + Zn Zn120 1.0 0.77158 0.91667 0.71245 1.0000 + Zn Zn121 1.0 0.85491 0.00000 0.71245 1.0000 + Zn Zn122 1.0 0.85491 0.08333 0.71245 1.0000 + Zn Zn123 1.0 0.85491 0.16667 0.71245 1.0000 + Zn Zn124 1.0 0.85491 0.25000 0.71245 1.0000 + Zn Zn125 1.0 0.85491 0.33333 0.71245 1.0000 + Zn Zn126 1.0 0.85491 0.41667 0.71245 1.0000 + Zn Zn127 1.0 0.85491 0.50000 0.71245 1.0000 + Zn Zn128 1.0 0.85491 0.58333 0.71245 1.0000 + Zn Zn129 1.0 0.85491 0.66667 0.71245 1.0000 + Zn Zn130 1.0 0.85491 0.75000 0.71245 1.0000 + Zn Zn131 1.0 0.85491 0.83333 0.71245 1.0000 + Zn Zn132 1.0 0.85491 0.91667 0.71245 1.0000 + Zn Zn133 1.0 0.93824 0.00000 0.71245 1.0000 + Zn Zn134 1.0 0.93824 0.08333 0.71245 1.0000 + Zn Zn135 1.0 0.93824 0.16667 0.71245 1.0000 + Zn Zn136 1.0 0.93824 0.25000 0.71245 1.0000 + Zn Zn137 1.0 0.93824 0.33333 0.71245 1.0000 + Zn Zn138 1.0 0.93824 0.41667 0.71245 1.0000 + Zn Zn139 1.0 0.93824 0.50000 0.71245 1.0000 + Zn Zn140 1.0 0.93824 0.58333 0.71245 1.0000 + Zn Zn141 1.0 0.93824 0.66667 0.71245 1.0000 + Zn Zn142 1.0 0.93824 0.75000 0.71245 1.0000 + Zn Zn143 1.0 0.93824 0.83333 0.71245 1.0000 + Zn Zn144 1.0 0.93824 0.91667 0.71245 1.0000 + Zn Zn145 1.0 0.02337 0.00000 0.28755 1.0000 + Zn Zn146 1.0 0.02337 0.08333 0.28755 1.0000 + Zn Zn147 1.0 0.02337 0.16667 0.28755 1.0000 + Zn Zn148 1.0 0.02337 0.25000 0.28755 1.0000 + Zn Zn149 1.0 0.02337 0.33333 0.28755 1.0000 + Zn Zn150 1.0 0.02337 0.41667 0.28755 1.0000 + Zn Zn151 1.0 0.02337 0.50000 0.28755 1.0000 + Zn Zn152 1.0 0.02337 0.58333 0.28755 1.0000 + Zn Zn153 1.0 0.02337 0.66667 0.28755 1.0000 + Zn Zn154 1.0 0.02337 0.75000 0.28755 1.0000 + Zn Zn155 1.0 0.02337 0.83333 0.28755 1.0000 + Zn Zn156 1.0 0.02337 0.91667 0.28755 1.0000 + Zn Zn157 1.0 0.10670 0.00000 0.28755 1.0000 + Zn Zn158 1.0 0.10670 0.08333 0.28755 1.0000 + Zn Zn159 1.0 0.10670 0.16667 0.28755 1.0000 + Zn Zn160 1.0 0.10670 0.25000 0.28755 1.0000 + Zn Zn161 1.0 0.10670 0.33333 0.28755 1.0000 + Zn Zn162 1.0 0.10670 0.41667 0.28755 1.0000 + Zn Zn163 1.0 0.10670 0.50000 0.28755 1.0000 + Zn Zn164 1.0 0.10670 0.58333 0.28755 1.0000 + Zn Zn165 1.0 0.10670 0.66667 0.28755 1.0000 + Zn Zn166 1.0 0.10670 0.75000 0.28755 1.0000 + Zn Zn167 1.0 0.10670 0.83333 0.28755 1.0000 + Zn Zn168 1.0 0.10670 0.91667 0.28755 1.0000 + Zn Zn169 1.0 0.19004 0.00000 0.28755 1.0000 + Zn Zn170 1.0 0.19004 0.08333 0.28755 1.0000 + Zn Zn171 1.0 0.19004 0.16667 0.28755 1.0000 + Zn Zn172 1.0 0.19004 0.25000 0.28755 1.0000 + Zn Zn173 1.0 0.19004 0.33333 0.28755 1.0000 + Zn Zn174 1.0 0.19004 0.41667 0.28755 1.0000 + Zn Zn175 1.0 0.19004 0.50000 0.28755 1.0000 + Zn Zn176 1.0 0.19004 0.58333 0.28755 1.0000 + Zn Zn177 1.0 0.19004 0.66667 0.28755 1.0000 + Zn Zn178 1.0 0.19004 0.75000 0.28755 1.0000 + Zn Zn179 1.0 0.19004 0.83333 0.28755 1.0000 + Zn Zn180 1.0 0.19004 0.91667 0.28755 1.0000 + Zn Zn181 1.0 0.27337 0.00000 0.28755 1.0000 + Zn Zn182 1.0 0.27337 0.08333 0.28755 1.0000 + Zn Zn183 1.0 0.27337 0.16667 0.28755 1.0000 + Zn Zn184 1.0 0.27337 0.25000 0.28755 1.0000 + Zn Zn185 1.0 0.27337 0.33333 0.28755 1.0000 + Zn Zn186 1.0 0.27337 0.41667 0.28755 1.0000 + Zn Zn187 1.0 0.27337 0.50000 0.28755 1.0000 + Zn Zn188 1.0 0.27337 0.58333 0.28755 1.0000 + Zn Zn189 1.0 0.27337 0.66667 0.28755 1.0000 + Zn Zn190 1.0 0.27337 0.75000 0.28755 1.0000 + Zn Zn191 1.0 0.27337 0.83333 0.28755 1.0000 + Zn Zn192 1.0 0.27337 0.91667 0.28755 1.0000 + Zn Zn193 1.0 0.35670 0.00000 0.28755 1.0000 + Zn Zn194 1.0 0.35670 0.08333 0.28755 1.0000 + Zn Zn195 1.0 0.35670 0.16667 0.28755 1.0000 + Zn Zn196 1.0 0.35670 0.25000 0.28755 1.0000 + Zn Zn197 1.0 0.35670 0.33333 0.28755 1.0000 + Zn Zn198 1.0 0.35670 0.41667 0.28755 1.0000 + Zn Zn199 1.0 0.35670 0.50000 0.28755 1.0000 + Zn Zn200 1.0 0.35670 0.58333 0.28755 1.0000 + Zn Zn201 1.0 0.35670 0.66667 0.28755 1.0000 + Zn Zn202 1.0 0.35670 0.75000 0.28755 1.0000 + Zn Zn203 1.0 0.35670 0.83333 0.28755 1.0000 + Zn Zn204 1.0 0.35670 0.91667 0.28755 1.0000 + Zn Zn205 1.0 0.44004 0.00000 0.28755 1.0000 + Zn Zn206 1.0 0.44004 0.08333 0.28755 1.0000 + Zn Zn207 1.0 0.44004 0.16667 0.28755 1.0000 + Zn Zn208 1.0 0.44004 0.25000 0.28755 1.0000 + Zn Zn209 1.0 0.44004 0.33333 0.28755 1.0000 + Zn Zn210 1.0 0.44004 0.41667 0.28755 1.0000 + Zn Zn211 1.0 0.44004 0.50000 0.28755 1.0000 + Zn Zn212 1.0 0.44004 0.58333 0.28755 1.0000 + Zn Zn213 1.0 0.44004 0.66667 0.28755 1.0000 + Zn Zn214 1.0 0.44004 0.75000 0.28755 1.0000 + Zn Zn215 1.0 0.44004 0.83333 0.28755 1.0000 + Zn Zn216 1.0 0.44004 0.91667 0.28755 1.0000 + Zn Zn217 1.0 0.52337 0.00000 0.28755 1.0000 + Zn Zn218 1.0 0.52337 0.08333 0.28755 1.0000 + Zn Zn219 1.0 0.52337 0.16667 0.28755 1.0000 + Zn Zn220 1.0 0.52337 0.25000 0.28755 1.0000 + Zn Zn221 1.0 0.52337 0.33333 0.28755 1.0000 + Zn Zn222 1.0 0.52337 0.41667 0.28755 1.0000 + Zn Zn223 1.0 0.52337 0.50000 0.28755 1.0000 + Zn Zn224 1.0 0.52337 0.58333 0.28755 1.0000 + Zn Zn225 1.0 0.52337 0.66667 0.28755 1.0000 + Zn Zn226 1.0 0.52337 0.75000 0.28755 1.0000 + Zn Zn227 1.0 0.52337 0.83333 0.28755 1.0000 + Zn Zn228 1.0 0.52337 0.91667 0.28755 1.0000 + Zn Zn229 1.0 0.60670 0.00000 0.28755 1.0000 + Zn Zn230 1.0 0.60670 0.08333 0.28755 1.0000 + Zn Zn231 1.0 0.60670 0.16667 0.28755 1.0000 + Zn Zn232 1.0 0.60670 0.25000 0.28755 1.0000 + Zn Zn233 1.0 0.60670 0.33333 0.28755 1.0000 + Zn Zn234 1.0 0.60670 0.41667 0.28755 1.0000 + Zn Zn235 1.0 0.60670 0.50000 0.28755 1.0000 + Zn Zn236 1.0 0.60670 0.58333 0.28755 1.0000 + Zn Zn237 1.0 0.60670 0.66667 0.28755 1.0000 + Zn Zn238 1.0 0.60670 0.75000 0.28755 1.0000 + Zn Zn239 1.0 0.60670 0.83333 0.28755 1.0000 + Zn Zn240 1.0 0.60670 0.91667 0.28755 1.0000 + Zn Zn241 1.0 0.69004 0.00000 0.28755 1.0000 + Zn Zn242 1.0 0.69004 0.08333 0.28755 1.0000 + Zn Zn243 1.0 0.69004 0.16667 0.28755 1.0000 + Zn Zn244 1.0 0.69004 0.25000 0.28755 1.0000 + Zn Zn245 1.0 0.69004 0.33333 0.28755 1.0000 + Zn Zn246 1.0 0.69004 0.41667 0.28755 1.0000 + Zn Zn247 1.0 0.69004 0.50000 0.28755 1.0000 + Zn Zn248 1.0 0.69004 0.58333 0.28755 1.0000 + Zn Zn249 1.0 0.69004 0.66667 0.28755 1.0000 + Zn Zn250 1.0 0.69004 0.75000 0.28755 1.0000 + Zn Zn251 1.0 0.69004 0.83333 0.28755 1.0000 + Zn Zn252 1.0 0.69004 0.91667 0.28755 1.0000 + Zn Zn253 1.0 0.77337 0.00000 0.28755 1.0000 + Zn Zn254 1.0 0.77337 0.08333 0.28755 1.0000 + Zn Zn255 1.0 0.77337 0.16667 0.28755 1.0000 + Zn Zn256 1.0 0.77337 0.25000 0.28755 1.0000 + Zn Zn257 1.0 0.77337 0.33333 0.28755 1.0000 + Zn Zn258 1.0 0.77337 0.41667 0.28755 1.0000 + Zn Zn259 1.0 0.77337 0.50000 0.28755 1.0000 + Zn Zn260 1.0 0.77337 0.58333 0.28755 1.0000 + Zn Zn261 1.0 0.77337 0.66667 0.28755 1.0000 + Zn Zn262 1.0 0.77337 0.75000 0.28755 1.0000 + Zn Zn263 1.0 0.77337 0.83333 0.28755 1.0000 + Zn Zn264 1.0 0.77337 0.91667 0.28755 1.0000 + Zn Zn265 1.0 0.85670 0.00000 0.28755 1.0000 + Zn Zn266 1.0 0.85670 0.08333 0.28755 1.0000 + Zn Zn267 1.0 0.85670 0.16667 0.28755 1.0000 + Zn Zn268 1.0 0.85670 0.25000 0.28755 1.0000 + Zn Zn269 1.0 0.85670 0.33333 0.28755 1.0000 + Zn Zn270 1.0 0.85670 0.41667 0.28755 1.0000 + Zn Zn271 1.0 0.85670 0.50000 0.28755 1.0000 + Zn Zn272 1.0 0.85670 0.58333 0.28755 1.0000 + Zn Zn273 1.0 0.85670 0.66667 0.28755 1.0000 + Zn Zn274 1.0 0.85670 0.75000 0.28755 1.0000 + Zn Zn275 1.0 0.85670 0.83333 0.28755 1.0000 + Zn Zn276 1.0 0.85670 0.91667 0.28755 1.0000 + Zn Zn277 1.0 0.94004 0.00000 0.28755 1.0000 + Zn Zn278 1.0 0.94004 0.08333 0.28755 1.0000 + Zn Zn279 1.0 0.94004 0.16667 0.28755 1.0000 + Zn Zn280 1.0 0.94004 0.25000 0.28755 1.0000 + Zn Zn281 1.0 0.94004 0.33333 0.28755 1.0000 + Zn Zn282 1.0 0.94004 0.41667 0.28755 1.0000 + Zn Zn283 1.0 0.94004 0.50000 0.28755 1.0000 + Zn Zn284 1.0 0.94004 0.58333 0.28755 1.0000 + Zn Zn285 1.0 0.94004 0.66667 0.28755 1.0000 + Zn Zn286 1.0 0.94004 0.75000 0.28755 1.0000 + Zn Zn287 1.0 0.94004 0.83333 0.28755 1.0000 + Zn Zn288 1.0 0.94004 0.91667 0.28755 1.0000 + Cr Cr1 1.0 0.02247 0.04167 0.50000 1.0000 + Cr Cr2 1.0 0.02247 0.12500 0.50000 1.0000 + Cr Cr3 1.0 0.02247 0.20833 0.50000 1.0000 + Cr Cr4 1.0 0.02247 0.29167 0.50000 1.0000 + Cr Cr5 1.0 0.02247 0.37500 0.50000 1.0000 + Cr Cr6 1.0 0.02247 0.45833 0.50000 1.0000 + Cr Cr7 1.0 0.02247 0.54167 0.50000 1.0000 + Cr Cr8 1.0 0.02247 0.62500 0.50000 1.0000 + Cr Cr9 1.0 0.02247 0.70833 0.50000 1.0000 + Cr Cr10 1.0 0.02247 0.79167 0.50000 1.0000 + Cr Cr11 1.0 0.02247 0.87500 0.50000 1.0000 + Cr Cr12 1.0 0.02247 0.95833 0.50000 1.0000 + Cr Cr13 1.0 0.10581 0.04167 0.50000 1.0000 + Cr Cr14 1.0 0.10581 0.12500 0.50000 1.0000 + Cr Cr15 1.0 0.10581 0.20833 0.50000 1.0000 + Cr Cr16 1.0 0.10581 0.29167 0.50000 1.0000 + Cr Cr17 1.0 0.10581 0.37500 0.50000 1.0000 + Cr Cr18 1.0 0.10581 0.45833 0.50000 1.0000 + Cr Cr19 1.0 0.10581 0.54167 0.50000 1.0000 + Cr Cr20 1.0 0.10581 0.62500 0.50000 1.0000 + Cr Cr21 1.0 0.10581 0.70833 0.50000 1.0000 + Cr Cr22 1.0 0.10581 0.79167 0.50000 1.0000 + Cr Cr23 1.0 0.10581 0.87500 0.50000 1.0000 + Cr Cr24 1.0 0.10581 0.95833 0.50000 1.0000 + Cr Cr25 1.0 0.18914 0.04167 0.50000 1.0000 + Cr Cr26 1.0 0.18914 0.12500 0.50000 1.0000 + Cr Cr27 1.0 0.18914 0.20833 0.50000 1.0000 + Cr Cr28 1.0 0.18914 0.29167 0.50000 1.0000 + Cr Cr29 1.0 0.18914 0.37500 0.50000 1.0000 + Cr Cr30 1.0 0.18914 0.45833 0.50000 1.0000 + Cr Cr31 1.0 0.18914 0.54167 0.50000 1.0000 + Cr Cr32 1.0 0.18914 0.62500 0.50000 1.0000 + Cr Cr33 1.0 0.18914 0.70833 0.50000 1.0000 + Cr Cr34 1.0 0.18914 0.79167 0.50000 1.0000 + Cr Cr35 1.0 0.18914 0.87500 0.50000 1.0000 + Cr Cr36 1.0 0.18914 0.95833 0.50000 1.0000 + Cr Cr37 1.0 0.27247 0.04167 0.50000 1.0000 + Cr Cr38 1.0 0.27247 0.12500 0.50000 1.0000 + Cr Cr39 1.0 0.27247 0.20833 0.50000 1.0000 + Cr Cr40 1.0 0.27247 0.29167 0.50000 1.0000 + Cr Cr41 1.0 0.27247 0.37500 0.50000 1.0000 + Cr Cr42 1.0 0.27247 0.45833 0.50000 1.0000 + Cr Cr43 1.0 0.27247 0.54167 0.50000 1.0000 + Cr Cr44 1.0 0.27247 0.62500 0.50000 1.0000 + Cr Cr45 1.0 0.27247 0.70833 0.50000 1.0000 + Cr Cr46 1.0 0.27247 0.79167 0.50000 1.0000 + Cr Cr47 1.0 0.27247 0.87500 0.50000 1.0000 + Cr Cr48 1.0 0.27247 0.95833 0.50000 1.0000 + Cr Cr49 1.0 0.35581 0.04167 0.50000 1.0000 + Cr Cr50 1.0 0.35581 0.12500 0.50000 1.0000 + Cr Cr51 1.0 0.35581 0.20833 0.50000 1.0000 + Cr Cr52 1.0 0.35581 0.29167 0.50000 1.0000 + Cr Cr53 1.0 0.35581 0.37500 0.50000 1.0000 + Cr Cr54 1.0 0.35581 0.45833 0.50000 1.0000 + Cr Cr55 1.0 0.35581 0.54167 0.50000 1.0000 + Cr Cr56 1.0 0.35581 0.62500 0.50000 1.0000 + Cr Cr57 1.0 0.35581 0.70833 0.50000 1.0000 + Cr Cr58 1.0 0.35581 0.79167 0.50000 1.0000 + Cr Cr59 1.0 0.35581 0.87500 0.50000 1.0000 + Cr Cr60 1.0 0.35581 0.95833 0.50000 1.0000 + Cr Cr61 1.0 0.43914 0.04167 0.50000 1.0000 + Cr Cr62 1.0 0.43914 0.12500 0.50000 1.0000 + Cr Cr63 1.0 0.43914 0.20833 0.50000 1.0000 + Cr Cr64 1.0 0.43914 0.29167 0.50000 1.0000 + Cr Cr65 1.0 0.43914 0.37500 0.50000 1.0000 + Cr Cr66 1.0 0.43914 0.45833 0.50000 1.0000 + Cr Cr67 1.0 0.43914 0.54167 0.50000 1.0000 + Cr Cr68 1.0 0.43914 0.62500 0.50000 1.0000 + Cr Cr69 1.0 0.43914 0.70833 0.50000 1.0000 + Cr Cr70 1.0 0.43914 0.79167 0.50000 1.0000 + Cr Cr71 1.0 0.43914 0.87500 0.50000 1.0000 + Cr Cr72 1.0 0.43914 0.95833 0.50000 1.0000 + Cr Cr73 1.0 0.52247 0.04167 0.50000 1.0000 + Cr Cr74 1.0 0.52247 0.12500 0.50000 1.0000 + Cr Cr75 1.0 0.52247 0.20833 0.50000 1.0000 + Cr Cr76 1.0 0.52247 0.29167 0.50000 1.0000 + Cr Cr77 1.0 0.52247 0.37500 0.50000 1.0000 + Cr Cr78 1.0 0.52247 0.45833 0.50000 1.0000 + Cr Cr79 1.0 0.52247 0.54167 0.50000 1.0000 + Cr Cr80 1.0 0.52247 0.62500 0.50000 1.0000 + Cr Cr81 1.0 0.52247 0.70833 0.50000 1.0000 + Cr Cr82 1.0 0.52247 0.79167 0.50000 1.0000 + Cr Cr83 1.0 0.52247 0.87500 0.50000 1.0000 + Cr Cr84 1.0 0.52247 0.95833 0.50000 1.0000 + Cr Cr85 1.0 0.60581 0.04167 0.50000 1.0000 + Cr Cr86 1.0 0.60581 0.12500 0.50000 1.0000 + Cr Cr87 1.0 0.60581 0.20833 0.50000 1.0000 + Cr Cr88 1.0 0.60581 0.29167 0.50000 1.0000 + Cr Cr89 1.0 0.60581 0.37500 0.50000 1.0000 + Cr Cr90 1.0 0.60581 0.45833 0.50000 1.0000 + Cr Cr91 1.0 0.60581 0.54167 0.50000 1.0000 + Cr Cr92 1.0 0.60581 0.62500 0.50000 1.0000 + Cr Cr93 1.0 0.60581 0.70833 0.50000 1.0000 + Cr Cr94 1.0 0.60581 0.79167 0.50000 1.0000 + Cr Cr95 1.0 0.60581 0.87500 0.50000 1.0000 + Cr Cr96 1.0 0.60581 0.95833 0.50000 1.0000 + Cr Cr97 1.0 0.68914 0.04167 0.50000 1.0000 + Cr Cr98 1.0 0.68914 0.12500 0.50000 1.0000 + Cr Cr99 1.0 0.68914 0.20833 0.50000 1.0000 + Cr Cr100 1.0 0.68914 0.29167 0.50000 1.0000 + Cr Cr101 1.0 0.68914 0.37500 0.50000 1.0000 + Cr Cr102 1.0 0.68914 0.45833 0.50000 1.0000 + Cr Cr103 1.0 0.68914 0.54167 0.50000 1.0000 + Cr Cr104 1.0 0.68914 0.62500 0.50000 1.0000 + Cr Cr105 1.0 0.68914 0.70833 0.50000 1.0000 + Cr Cr106 1.0 0.68914 0.79167 0.50000 1.0000 + Cr Cr107 1.0 0.68914 0.87500 0.50000 1.0000 + Cr Cr108 1.0 0.68914 0.95833 0.50000 1.0000 + Cr Cr109 1.0 0.77247 0.04167 0.50000 1.0000 + Cr Cr110 1.0 0.77247 0.12500 0.50000 1.0000 + Cr Cr111 1.0 0.77247 0.20833 0.50000 1.0000 + Cr Cr112 1.0 0.77247 0.29167 0.50000 1.0000 + Cr Cr113 1.0 0.77247 0.37500 0.50000 1.0000 + Cr Cr114 1.0 0.77247 0.45833 0.50000 1.0000 + Cr Cr115 1.0 0.77247 0.54167 0.50000 1.0000 + Cr Cr116 1.0 0.77247 0.62500 0.50000 1.0000 + Cr Cr117 1.0 0.77247 0.70833 0.50000 1.0000 + Cr Cr118 1.0 0.77247 0.79167 0.50000 1.0000 + Cr Cr119 1.0 0.77247 0.87500 0.50000 1.0000 + Cr Cr120 1.0 0.77247 0.95833 0.50000 1.0000 + Cr Cr121 1.0 0.85581 0.04167 0.50000 1.0000 + Cr Cr122 1.0 0.85581 0.12500 0.50000 1.0000 + Cr Cr123 1.0 0.85581 0.20833 0.50000 1.0000 + Cr Cr124 1.0 0.85581 0.29167 0.50000 1.0000 + Cr Cr125 1.0 0.85581 0.37500 0.50000 1.0000 + Cr Cr126 1.0 0.85581 0.45833 0.50000 1.0000 + Cr Cr127 1.0 0.85581 0.54167 0.50000 1.0000 + Cr Cr128 1.0 0.85581 0.62500 0.50000 1.0000 + Cr Cr129 1.0 0.85581 0.70833 0.50000 1.0000 + Cr Cr130 1.0 0.85581 0.79167 0.50000 1.0000 + Cr Cr131 1.0 0.85581 0.87500 0.50000 1.0000 + Cr Cr132 1.0 0.85581 0.95833 0.50000 1.0000 + Cr Cr133 1.0 0.93914 0.04167 0.50000 1.0000 + Cr Cr134 1.0 0.93914 0.12500 0.50000 1.0000 + Cr Cr135 1.0 0.93914 0.20833 0.50000 1.0000 + Cr Cr136 1.0 0.93914 0.29167 0.50000 1.0000 + Cr Cr137 1.0 0.93914 0.37500 0.50000 1.0000 + Cr Cr138 1.0 0.93914 0.45833 0.50000 1.0000 + Cr Cr139 1.0 0.93914 0.54167 0.50000 1.0000 + Cr Cr140 1.0 0.93914 0.62500 0.50000 1.0000 + Cr Cr141 1.0 0.93914 0.70833 0.50000 1.0000 + Cr Cr142 1.0 0.93914 0.79167 0.50000 1.0000 + Cr Cr143 1.0 0.93914 0.87500 0.50000 1.0000 + Cr Cr144 1.0 0.93914 0.95833 0.50000 1.0000 + Cr Cr145 1.0 0.06414 0.06250 0.50000 1.0000 + Cr Cr146 1.0 0.06414 0.14583 0.50000 1.0000 + Cr Cr147 1.0 0.06414 0.22916 0.50000 1.0000 + Cr Cr148 1.0 0.06414 0.31250 0.50000 1.0000 + Cr Cr149 1.0 0.06414 0.39583 0.50000 1.0000 + Cr Cr150 1.0 0.06414 0.47916 0.50000 1.0000 + Cr Cr151 1.0 0.06414 0.56250 0.50000 1.0000 + Cr Cr152 1.0 0.06414 0.64583 0.50000 1.0000 + Cr Cr153 1.0 0.06414 0.72916 0.50000 1.0000 + Cr Cr154 1.0 0.06414 0.81250 0.50000 1.0000 + Cr Cr155 1.0 0.06414 0.89583 0.50000 1.0000 + Cr Cr156 1.0 0.06414 0.97916 0.50000 1.0000 + Cr Cr157 1.0 0.14747 0.06250 0.50000 1.0000 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0.50000 1.0000 + Cr Cr180 1.0 0.23081 0.97916 0.50000 1.0000 + Cr Cr181 1.0 0.31414 0.06250 0.50000 1.0000 + Cr Cr182 1.0 0.31414 0.14583 0.50000 1.0000 + Cr Cr183 1.0 0.31414 0.22916 0.50000 1.0000 + Cr Cr184 1.0 0.31414 0.31250 0.50000 1.0000 + Cr Cr185 1.0 0.31414 0.39583 0.50000 1.0000 + Cr Cr186 1.0 0.31414 0.47916 0.50000 1.0000 + Cr Cr187 1.0 0.31414 0.56250 0.50000 1.0000 + Cr Cr188 1.0 0.31414 0.64583 0.50000 1.0000 + Cr Cr189 1.0 0.31414 0.72916 0.50000 1.0000 + Cr Cr190 1.0 0.31414 0.81250 0.50000 1.0000 + Cr Cr191 1.0 0.31414 0.89583 0.50000 1.0000 + Cr Cr192 1.0 0.31414 0.97916 0.50000 1.0000 + Cr Cr193 1.0 0.39747 0.06250 0.50000 1.0000 + Cr Cr194 1.0 0.39747 0.14583 0.50000 1.0000 + Cr Cr195 1.0 0.39747 0.22916 0.50000 1.0000 + Cr Cr196 1.0 0.39747 0.31250 0.50000 1.0000 + Cr Cr197 1.0 0.39747 0.39583 0.50000 1.0000 + Cr Cr198 1.0 0.39747 0.47916 0.50000 1.0000 + Cr Cr199 1.0 0.39747 0.56250 0.50000 1.0000 + Cr Cr200 1.0 0.39747 0.64583 0.50000 1.0000 + Cr Cr201 1.0 0.39747 0.72916 0.50000 1.0000 + Cr Cr202 1.0 0.39747 0.81250 0.50000 1.0000 + Cr Cr203 1.0 0.39747 0.89583 0.50000 1.0000 + Cr Cr204 1.0 0.39747 0.97916 0.50000 1.0000 + Cr Cr205 1.0 0.48081 0.06250 0.50000 1.0000 + Cr Cr206 1.0 0.48081 0.14583 0.50000 1.0000 + Cr Cr207 1.0 0.48081 0.22916 0.50000 1.0000 + Cr Cr208 1.0 0.48081 0.31250 0.50000 1.0000 + Cr Cr209 1.0 0.48081 0.39583 0.50000 1.0000 + Cr Cr210 1.0 0.48081 0.47916 0.50000 1.0000 + Cr Cr211 1.0 0.48081 0.56250 0.50000 1.0000 + Cr Cr212 1.0 0.48081 0.64583 0.50000 1.0000 + Cr Cr213 1.0 0.48081 0.72916 0.50000 1.0000 + Cr Cr214 1.0 0.48081 0.81250 0.50000 1.0000 + Cr Cr215 1.0 0.48081 0.89583 0.50000 1.0000 + Cr Cr216 1.0 0.48081 0.97916 0.50000 1.0000 + Cr Cr217 1.0 0.56414 0.06250 0.50000 1.0000 + Cr Cr218 1.0 0.56414 0.14583 0.50000 1.0000 + Cr Cr219 1.0 0.56414 0.22916 0.50000 1.0000 + Cr Cr220 1.0 0.56414 0.31250 0.50000 1.0000 + Cr Cr221 1.0 0.56414 0.39583 0.50000 1.0000 + Cr Cr222 1.0 0.56414 0.47916 0.50000 1.0000 + Cr Cr223 1.0 0.56414 0.56250 0.50000 1.0000 + Cr Cr224 1.0 0.56414 0.64583 0.50000 1.0000 + Cr Cr225 1.0 0.56414 0.72916 0.50000 1.0000 + Cr Cr226 1.0 0.56414 0.81250 0.50000 1.0000 + Cr Cr227 1.0 0.56414 0.89583 0.50000 1.0000 + Cr Cr228 1.0 0.56414 0.97916 0.50000 1.0000 + Cr Cr229 1.0 0.64747 0.06250 0.50000 1.0000 + Cr Cr230 1.0 0.64747 0.14583 0.50000 1.0000 + Cr Cr231 1.0 0.64747 0.22916 0.50000 1.0000 + Cr Cr232 1.0 0.64747 0.31250 0.50000 1.0000 + Cr Cr233 1.0 0.64747 0.39583 0.50000 1.0000 + Cr Cr234 1.0 0.64747 0.47916 0.50000 1.0000 + Cr Cr235 1.0 0.64747 0.56250 0.50000 1.0000 + Cr Cr236 1.0 0.64747 0.64583 0.50000 1.0000 + Cr Cr237 1.0 0.64747 0.72916 0.50000 1.0000 + Cr Cr238 1.0 0.64747 0.81250 0.50000 1.0000 + Cr Cr239 1.0 0.64747 0.89583 0.50000 1.0000 + Cr Cr240 1.0 0.64747 0.97916 0.50000 1.0000 + Cr Cr241 1.0 0.73081 0.06250 0.50000 1.0000 + Cr Cr242 1.0 0.73081 0.14583 0.50000 1.0000 + Cr Cr243 1.0 0.73081 0.22916 0.50000 1.0000 + Cr Cr244 1.0 0.73081 0.31250 0.50000 1.0000 + Cr Cr245 1.0 0.73081 0.39583 0.50000 1.0000 + Cr Cr246 1.0 0.73081 0.47916 0.50000 1.0000 + Cr Cr247 1.0 0.73081 0.56250 0.50000 1.0000 + Cr Cr248 1.0 0.73081 0.64583 0.50000 1.0000 + Cr Cr249 1.0 0.73081 0.72916 0.50000 1.0000 + Cr Cr250 1.0 0.73081 0.81250 0.50000 1.0000 + Cr Cr251 1.0 0.73081 0.89583 0.50000 1.0000 + Cr Cr252 1.0 0.73081 0.97916 0.50000 1.0000 + Cr Cr253 1.0 0.81414 0.06250 0.50000 1.0000 + Cr Cr254 1.0 0.81414 0.14583 0.50000 1.0000 + Cr Cr255 1.0 0.81414 0.22916 0.50000 1.0000 + Cr Cr256 1.0 0.81414 0.31250 0.50000 1.0000 + Cr Cr257 1.0 0.81414 0.39583 0.50000 1.0000 + Cr Cr258 1.0 0.81414 0.47916 0.50000 1.0000 + Cr Cr259 1.0 0.81414 0.56250 0.50000 1.0000 + Cr Cr260 1.0 0.81414 0.64583 0.50000 1.0000 + Cr Cr261 1.0 0.81414 0.72916 0.50000 1.0000 + Cr Cr262 1.0 0.81414 0.81250 0.50000 1.0000 + Cr Cr263 1.0 0.81414 0.89583 0.50000 1.0000 + Cr Cr264 1.0 0.81414 0.97916 0.50000 1.0000 + Cr Cr265 1.0 0.89747 0.06250 0.50000 1.0000 + Cr Cr266 1.0 0.89747 0.14583 0.50000 1.0000 + Cr Cr267 1.0 0.89747 0.22916 0.50000 1.0000 + Cr Cr268 1.0 0.89747 0.31250 0.50000 1.0000 + Cr Cr269 1.0 0.89747 0.39583 0.50000 1.0000 + Cr Cr270 1.0 0.89747 0.47916 0.50000 1.0000 + Cr Cr271 1.0 0.89747 0.56250 0.50000 1.0000 + Cr Cr272 1.0 0.89747 0.64583 0.50000 1.0000 + Cr Cr273 1.0 0.89747 0.72916 0.50000 1.0000 + Cr Cr274 1.0 0.89747 0.81250 0.50000 1.0000 + Cr Cr275 1.0 0.89747 0.89583 0.50000 1.0000 + Cr Cr276 1.0 0.89747 0.97916 0.50000 1.0000 + Cr Cr277 1.0 0.98081 0.06250 0.50000 1.0000 + Cr Cr278 1.0 0.98081 0.14583 0.50000 1.0000 + Cr Cr279 1.0 0.98081 0.22916 0.50000 1.0000 + Cr Cr280 1.0 0.98081 0.31250 0.50000 1.0000 + Cr Cr281 1.0 0.98081 0.39583 0.50000 1.0000 + Cr Cr282 1.0 0.98081 0.47916 0.50000 1.0000 + Cr Cr283 1.0 0.98081 0.56250 0.50000 1.0000 + Cr Cr284 1.0 0.98081 0.64583 0.50000 1.0000 + Cr Cr285 1.0 0.98081 0.72916 0.50000 1.0000 + Cr Cr286 1.0 0.98081 0.81250 0.50000 1.0000 + Cr Cr287 1.0 0.98081 0.89583 0.50000 1.0000 + Cr Cr288 1.0 0.98081 0.97916 0.50000 1.0000 + Cr Cr289 1.0 0.06414 0.02084 0.50000 1.0000 + Cr Cr290 1.0 0.06414 0.10417 0.50000 1.0000 + Cr Cr291 1.0 0.06414 0.18750 0.50000 1.0000 + Cr Cr292 1.0 0.06414 0.27084 0.50000 1.0000 + Cr Cr293 1.0 0.06414 0.35417 0.50000 1.0000 + Cr Cr294 1.0 0.06414 0.43750 0.50000 1.0000 + Cr Cr295 1.0 0.06414 0.52084 0.50000 1.0000 + Cr Cr296 1.0 0.06414 0.60417 0.50000 1.0000 + Cr Cr297 1.0 0.06414 0.68750 0.50000 1.0000 + Cr Cr298 1.0 0.06414 0.77084 0.50000 1.0000 + Cr Cr299 1.0 0.06414 0.85417 0.50000 1.0000 + Cr Cr300 1.0 0.06414 0.93750 0.50000 1.0000 + Cr Cr301 1.0 0.14747 0.02084 0.50000 1.0000 + Cr Cr302 1.0 0.14747 0.10417 0.50000 1.0000 + Cr Cr303 1.0 0.14747 0.18750 0.50000 1.0000 + Cr Cr304 1.0 0.14747 0.27084 0.50000 1.0000 + Cr Cr305 1.0 0.14747 0.35417 0.50000 1.0000 + Cr Cr306 1.0 0.14747 0.43750 0.50000 1.0000 + Cr Cr307 1.0 0.14747 0.52084 0.50000 1.0000 + Cr Cr308 1.0 0.14747 0.60417 0.50000 1.0000 + Cr Cr309 1.0 0.14747 0.68750 0.50000 1.0000 + Cr Cr310 1.0 0.14747 0.77084 0.50000 1.0000 + Cr Cr311 1.0 0.14747 0.85417 0.50000 1.0000 + Cr Cr312 1.0 0.14747 0.93750 0.50000 1.0000 + Cr Cr313 1.0 0.23081 0.02084 0.50000 1.0000 + Cr Cr314 1.0 0.23081 0.10417 0.50000 1.0000 + Cr Cr315 1.0 0.23081 0.18750 0.50000 1.0000 + Cr Cr316 1.0 0.23081 0.27084 0.50000 1.0000 + Cr Cr317 1.0 0.23081 0.35417 0.50000 1.0000 + Cr Cr318 1.0 0.23081 0.43750 0.50000 1.0000 + Cr Cr319 1.0 0.23081 0.52084 0.50000 1.0000 + Cr Cr320 1.0 0.23081 0.60417 0.50000 1.0000 + Cr Cr321 1.0 0.23081 0.68750 0.50000 1.0000 + Cr Cr322 1.0 0.23081 0.77084 0.50000 1.0000 + Cr Cr323 1.0 0.23081 0.85417 0.50000 1.0000 + Cr Cr324 1.0 0.23081 0.93750 0.50000 1.0000 + Cr Cr325 1.0 0.31414 0.02084 0.50000 1.0000 + Cr Cr326 1.0 0.31414 0.10417 0.50000 1.0000 + Cr Cr327 1.0 0.31414 0.18750 0.50000 1.0000 + Cr Cr328 1.0 0.31414 0.27084 0.50000 1.0000 + Cr Cr329 1.0 0.31414 0.35417 0.50000 1.0000 + Cr Cr330 1.0 0.31414 0.43750 0.50000 1.0000 + Cr Cr331 1.0 0.31414 0.52084 0.50000 1.0000 + Cr Cr332 1.0 0.31414 0.60417 0.50000 1.0000 + Cr Cr333 1.0 0.31414 0.68750 0.50000 1.0000 + Cr Cr334 1.0 0.31414 0.77084 0.50000 1.0000 + Cr Cr335 1.0 0.31414 0.85417 0.50000 1.0000 + Cr Cr336 1.0 0.31414 0.93750 0.50000 1.0000 + Cr Cr337 1.0 0.39747 0.02084 0.50000 1.0000 + Cr Cr338 1.0 0.39747 0.10417 0.50000 1.0000 + Cr Cr339 1.0 0.39747 0.18750 0.50000 1.0000 + Cr Cr340 1.0 0.39747 0.27084 0.50000 1.0000 + Cr Cr341 1.0 0.39747 0.35417 0.50000 1.0000 + Cr Cr342 1.0 0.39747 0.43750 0.50000 1.0000 + Cr Cr343 1.0 0.39747 0.52084 0.50000 1.0000 + Cr Cr344 1.0 0.39747 0.60417 0.50000 1.0000 + Cr Cr345 1.0 0.39747 0.68750 0.50000 1.0000 + Cr Cr346 1.0 0.39747 0.77084 0.50000 1.0000 + Cr Cr347 1.0 0.39747 0.85417 0.50000 1.0000 + Cr Cr348 1.0 0.39747 0.93750 0.50000 1.0000 + Cr Cr349 1.0 0.48081 0.02084 0.50000 1.0000 + Cr Cr350 1.0 0.48081 0.10417 0.50000 1.0000 + Cr Cr351 1.0 0.48081 0.18750 0.50000 1.0000 + Cr Cr352 1.0 0.48081 0.27084 0.50000 1.0000 + Cr Cr353 1.0 0.48081 0.35417 0.50000 1.0000 + Cr Cr354 1.0 0.48081 0.43750 0.50000 1.0000 + Cr Cr355 1.0 0.48081 0.52084 0.50000 1.0000 + Cr Cr356 1.0 0.48081 0.60417 0.50000 1.0000 + Cr Cr357 1.0 0.48081 0.68750 0.50000 1.0000 + Cr Cr358 1.0 0.48081 0.77084 0.50000 1.0000 + Cr Cr359 1.0 0.48081 0.85417 0.50000 1.0000 + Cr Cr360 1.0 0.48081 0.93750 0.50000 1.0000 + Cr Cr361 1.0 0.56414 0.02084 0.50000 1.0000 + Cr Cr362 1.0 0.56414 0.10417 0.50000 1.0000 + Cr Cr363 1.0 0.56414 0.18750 0.50000 1.0000 + Cr Cr364 1.0 0.56414 0.27084 0.50000 1.0000 + Cr Cr365 1.0 0.56414 0.35417 0.50000 1.0000 + Cr Cr366 1.0 0.56414 0.43750 0.50000 1.0000 + Cr Cr367 1.0 0.56414 0.52084 0.50000 1.0000 + Cr Cr368 1.0 0.56414 0.60417 0.50000 1.0000 + Cr Cr369 1.0 0.56414 0.68750 0.50000 1.0000 + Cr Cr370 1.0 0.56414 0.77084 0.50000 1.0000 + Cr Cr371 1.0 0.56414 0.85417 0.50000 1.0000 + Cr Cr372 1.0 0.56414 0.93750 0.50000 1.0000 + Cr Cr373 1.0 0.64747 0.02084 0.50000 1.0000 + Cr Cr374 1.0 0.64747 0.10417 0.50000 1.0000 + Cr Cr375 1.0 0.64747 0.18750 0.50000 1.0000 + Cr Cr376 1.0 0.64747 0.27084 0.50000 1.0000 + Cr Cr377 1.0 0.64747 0.35417 0.50000 1.0000 + Cr Cr378 1.0 0.64747 0.43750 0.50000 1.0000 + Cr Cr379 1.0 0.64747 0.52084 0.50000 1.0000 + Cr Cr380 1.0 0.64747 0.60417 0.50000 1.0000 + Cr Cr381 1.0 0.64747 0.68750 0.50000 1.0000 + Cr Cr382 1.0 0.64747 0.77084 0.50000 1.0000 + Cr Cr383 1.0 0.64747 0.85417 0.50000 1.0000 + Cr Cr384 1.0 0.64747 0.93750 0.50000 1.0000 + Cr Cr385 1.0 0.73081 0.02084 0.50000 1.0000 + Cr Cr386 1.0 0.73081 0.10417 0.50000 1.0000 + Cr Cr387 1.0 0.73081 0.18750 0.50000 1.0000 + Cr Cr388 1.0 0.73081 0.27084 0.50000 1.0000 + Cr Cr389 1.0 0.73081 0.35417 0.50000 1.0000 + Cr Cr390 1.0 0.73081 0.43750 0.50000 1.0000 + Cr Cr391 1.0 0.73081 0.52084 0.50000 1.0000 + Cr Cr392 1.0 0.73081 0.60417 0.50000 1.0000 + Cr Cr393 1.0 0.73081 0.68750 0.50000 1.0000 + Cr Cr394 1.0 0.73081 0.77084 0.50000 1.0000 + Cr Cr395 1.0 0.73081 0.85417 0.50000 1.0000 + Cr Cr396 1.0 0.73081 0.93750 0.50000 1.0000 + Cr Cr397 1.0 0.81414 0.02084 0.50000 1.0000 + Cr Cr398 1.0 0.81414 0.10417 0.50000 1.0000 + Cr Cr399 1.0 0.81414 0.18750 0.50000 1.0000 + Cr Cr400 1.0 0.81414 0.27084 0.50000 1.0000 + Cr Cr401 1.0 0.81414 0.35417 0.50000 1.0000 + Cr Cr402 1.0 0.81414 0.43750 0.50000 1.0000 + Cr Cr403 1.0 0.81414 0.52084 0.50000 1.0000 + Cr Cr404 1.0 0.81414 0.60417 0.50000 1.0000 + Cr Cr405 1.0 0.81414 0.68750 0.50000 1.0000 + Cr Cr406 1.0 0.81414 0.77084 0.50000 1.0000 + Cr Cr407 1.0 0.81414 0.85417 0.50000 1.0000 + Cr Cr408 1.0 0.81414 0.93750 0.50000 1.0000 + Cr Cr409 1.0 0.89747 0.02084 0.50000 1.0000 + Cr Cr410 1.0 0.89747 0.10417 0.50000 1.0000 + Cr Cr411 1.0 0.89747 0.18750 0.50000 1.0000 + Cr Cr412 1.0 0.89747 0.27084 0.50000 1.0000 + Cr Cr413 1.0 0.89747 0.35417 0.50000 1.0000 + Cr Cr414 1.0 0.89747 0.43750 0.50000 1.0000 + Cr Cr415 1.0 0.89747 0.52084 0.50000 1.0000 + Cr Cr416 1.0 0.89747 0.60417 0.50000 1.0000 + Cr Cr417 1.0 0.89747 0.68750 0.50000 1.0000 + Cr Cr418 1.0 0.89747 0.77084 0.50000 1.0000 + Cr Cr419 1.0 0.89747 0.85417 0.50000 1.0000 + Cr Cr420 1.0 0.89747 0.93750 0.50000 1.0000 + Cr Cr421 1.0 0.98081 0.02084 0.50000 1.0000 + Cr Cr422 1.0 0.98081 0.10417 0.50000 1.0000 + Cr Cr423 1.0 0.98081 0.18750 0.50000 1.0000 + Cr Cr424 1.0 0.98081 0.27084 0.50000 1.0000 + Cr Cr425 1.0 0.98081 0.35417 0.50000 1.0000 + Cr Cr426 1.0 0.98081 0.43750 0.50000 1.0000 + Cr Cr427 1.0 0.98081 0.52084 0.50000 1.0000 + Cr Cr428 1.0 0.98081 0.60417 0.50000 1.0000 + Cr Cr429 1.0 0.98081 0.68750 0.50000 1.0000 + Cr Cr430 1.0 0.98081 0.77084 0.50000 1.0000 + Cr Cr431 1.0 0.98081 0.85417 0.50000 1.0000 + Cr Cr432 1.0 0.98081 0.93750 0.50000 1.0000 + O O1 1.0 0.05356 0.00000 0.33964 1.0000 + O O2 1.0 0.05356 0.08333 0.33964 1.0000 + O O3 1.0 0.05356 0.16667 0.33964 1.0000 + O O4 1.0 0.05356 0.25000 0.33964 1.0000 + O O5 1.0 0.05356 0.33333 0.33964 1.0000 + O O6 1.0 0.05356 0.41667 0.33964 1.0000 + O O7 1.0 0.05356 0.50000 0.33964 1.0000 + O O8 1.0 0.05356 0.58333 0.33964 1.0000 + O O9 1.0 0.05356 0.66667 0.33964 1.0000 + O O10 1.0 0.05356 0.75000 0.33964 1.0000 + O O11 1.0 0.05356 0.83333 0.33964 1.0000 + O O12 1.0 0.05356 0.91667 0.33964 1.0000 + O O13 1.0 0.13689 0.00000 0.33964 1.0000 + O O14 1.0 0.13689 0.08333 0.33964 1.0000 + O O15 1.0 0.13689 0.16667 0.33964 1.0000 + O O16 1.0 0.13689 0.25000 0.33964 1.0000 + O O17 1.0 0.13689 0.33333 0.33964 1.0000 + O O18 1.0 0.13689 0.41667 0.33964 1.0000 + O O19 1.0 0.13689 0.50000 0.33964 1.0000 + O O20 1.0 0.13689 0.58333 0.33964 1.0000 + O O21 1.0 0.13689 0.66667 0.33964 1.0000 + O O22 1.0 0.13689 0.75000 0.33964 1.0000 + O O23 1.0 0.13689 0.83333 0.33964 1.0000 + O O24 1.0 0.13689 0.91667 0.33964 1.0000 + O O25 1.0 0.22022 0.00000 0.33964 1.0000 + O O26 1.0 0.22022 0.08333 0.33964 1.0000 + O O27 1.0 0.22022 0.16667 0.33964 1.0000 + O O28 1.0 0.22022 0.25000 0.33964 1.0000 + O O29 1.0 0.22022 0.33333 0.33964 1.0000 + O O30 1.0 0.22022 0.41667 0.33964 1.0000 + O O31 1.0 0.22022 0.50000 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O O940 1.0 0.50766 0.27227 0.35560 1.0000 + O O941 1.0 0.50766 0.35561 0.35560 1.0000 + O O942 1.0 0.50766 0.43894 0.35560 1.0000 + O O943 1.0 0.50766 0.52227 0.35560 1.0000 + O O944 1.0 0.50766 0.60561 0.35560 1.0000 + O O945 1.0 0.50766 0.68894 0.35560 1.0000 + O O946 1.0 0.50766 0.77227 0.35560 1.0000 + O O947 1.0 0.50766 0.85561 0.35560 1.0000 + O O948 1.0 0.50766 0.93894 0.35560 1.0000 + O O949 1.0 0.59100 0.02227 0.35560 1.0000 + O O950 1.0 0.59100 0.10561 0.35560 1.0000 + O O951 1.0 0.59100 0.18894 0.35560 1.0000 + O O952 1.0 0.59100 0.27227 0.35560 1.0000 + O O953 1.0 0.59100 0.35561 0.35560 1.0000 + O O954 1.0 0.59100 0.43894 0.35560 1.0000 + O O955 1.0 0.59100 0.52227 0.35560 1.0000 + O O956 1.0 0.59100 0.60561 0.35560 1.0000 + O O957 1.0 0.59100 0.68894 0.35560 1.0000 + O O958 1.0 0.59100 0.77227 0.35560 1.0000 + O O959 1.0 0.59100 0.85561 0.35560 1.0000 + O O960 1.0 0.59100 0.93894 0.35560 1.0000 + O O961 1.0 0.67433 0.02227 0.35560 1.0000 + O O962 1.0 0.67433 0.10561 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O1030 1.0 0.09100 0.81106 0.35560 1.0000 + O O1031 1.0 0.09100 0.89439 0.35560 1.0000 + O O1032 1.0 0.09100 0.97773 0.35560 1.0000 + O O1033 1.0 0.17433 0.06106 0.35560 1.0000 + O O1034 1.0 0.17433 0.14439 0.35560 1.0000 + O O1035 1.0 0.17433 0.22773 0.35560 1.0000 + O O1036 1.0 0.17433 0.31106 0.35560 1.0000 + O O1037 1.0 0.17433 0.39439 0.35560 1.0000 + O O1038 1.0 0.17433 0.47773 0.35560 1.0000 + O O1039 1.0 0.17433 0.56106 0.35560 1.0000 + O O1040 1.0 0.17433 0.64439 0.35560 1.0000 + O O1041 1.0 0.17433 0.72773 0.35560 1.0000 + O O1042 1.0 0.17433 0.81106 0.35560 1.0000 + O O1043 1.0 0.17433 0.89439 0.35560 1.0000 + O O1044 1.0 0.17433 0.97773 0.35560 1.0000 + O O1045 1.0 0.25766 0.06106 0.35560 1.0000 + O O1046 1.0 0.25766 0.14439 0.35560 1.0000 + O O1047 1.0 0.25766 0.22773 0.35560 1.0000 + O O1048 1.0 0.25766 0.31106 0.35560 1.0000 + O O1049 1.0 0.25766 0.39439 0.35560 1.0000 + O O1050 1.0 0.25766 0.47773 0.35560 1.0000 + O O1051 1.0 0.25766 0.56106 0.35560 1.0000 + O O1052 1.0 0.25766 0.64439 0.35560 1.0000 + O O1053 1.0 0.25766 0.72773 0.35560 1.0000 + O O1054 1.0 0.25766 0.81106 0.35560 1.0000 + O O1055 1.0 0.25766 0.89439 0.35560 1.0000 + O O1056 1.0 0.25766 0.97773 0.35560 1.0000 + O O1057 1.0 0.34100 0.06106 0.35560 1.0000 + O O1058 1.0 0.34100 0.14439 0.35560 1.0000 + O O1059 1.0 0.34100 0.22773 0.35560 1.0000 + O O1060 1.0 0.34100 0.31106 0.35560 1.0000 + O O1061 1.0 0.34100 0.39439 0.35560 1.0000 + O O1062 1.0 0.34100 0.47773 0.35560 1.0000 + O O1063 1.0 0.34100 0.56106 0.35560 1.0000 + O O1064 1.0 0.34100 0.64439 0.35560 1.0000 + O O1065 1.0 0.34100 0.72773 0.35560 1.0000 + O O1066 1.0 0.34100 0.81106 0.35560 1.0000 + O O1067 1.0 0.34100 0.89439 0.35560 1.0000 + O O1068 1.0 0.34100 0.97773 0.35560 1.0000 + O O1069 1.0 0.42433 0.06106 0.35560 1.0000 + O O1070 1.0 0.42433 0.14439 0.35560 1.0000 + O O1071 1.0 0.42433 0.22773 0.35560 1.0000 + O O1072 1.0 0.42433 0.31106 0.35560 1.0000 + O O1073 1.0 0.42433 0.39439 0.35560 1.0000 + O O1074 1.0 0.42433 0.47773 0.35560 1.0000 + O O1075 1.0 0.42433 0.56106 0.35560 1.0000 + O O1076 1.0 0.42433 0.64439 0.35560 1.0000 + O O1077 1.0 0.42433 0.72773 0.35560 1.0000 + O O1078 1.0 0.42433 0.81106 0.35560 1.0000 + O O1079 1.0 0.42433 0.89439 0.35560 1.0000 + O O1080 1.0 0.42433 0.97773 0.35560 1.0000 + O O1081 1.0 0.50766 0.06106 0.35560 1.0000 + O O1082 1.0 0.50766 0.14439 0.35560 1.0000 + O O1083 1.0 0.50766 0.22773 0.35560 1.0000 + O O1084 1.0 0.50766 0.31106 0.35560 1.0000 + O O1085 1.0 0.50766 0.39439 0.35560 1.0000 + O O1086 1.0 0.50766 0.47773 0.35560 1.0000 + O O1087 1.0 0.50766 0.56106 0.35560 1.0000 + O O1088 1.0 0.50766 0.64439 0.35560 1.0000 + O O1089 1.0 0.50766 0.72773 0.35560 1.0000 + O O1090 1.0 0.50766 0.81106 0.35560 1.0000 + O O1091 1.0 0.50766 0.89439 0.35560 1.0000 + O O1092 1.0 0.50766 0.97773 0.35560 1.0000 + O O1093 1.0 0.59100 0.06106 0.35560 1.0000 + O O1094 1.0 0.59100 0.14439 0.35560 1.0000 + O O1095 1.0 0.59100 0.22773 0.35560 1.0000 + O O1096 1.0 0.59100 0.31106 0.35560 1.0000 + O O1097 1.0 0.59100 0.39439 0.35560 1.0000 + O O1098 1.0 0.59100 0.47773 0.35560 1.0000 + O O1099 1.0 0.59100 0.56106 0.35560 1.0000 + O O1100 1.0 0.59100 0.64439 0.35560 1.0000 + O O1101 1.0 0.59100 0.72773 0.35560 1.0000 + O O1102 1.0 0.59100 0.81106 0.35560 1.0000 + O O1103 1.0 0.59100 0.89439 0.35560 1.0000 + O O1104 1.0 0.59100 0.97773 0.35560 1.0000 + O O1105 1.0 0.67433 0.06106 0.35560 1.0000 + O O1106 1.0 0.67433 0.14439 0.35560 1.0000 + O O1107 1.0 0.67433 0.22773 0.35560 1.0000 + O O1108 1.0 0.67433 0.31106 0.35560 1.0000 + O O1109 1.0 0.67433 0.39439 0.35560 1.0000 + O O1110 1.0 0.67433 0.47773 0.35560 1.0000 + O O1111 1.0 0.67433 0.56106 0.35560 1.0000 + O O1112 1.0 0.67433 0.64439 0.35560 1.0000 + O O1113 1.0 0.67433 0.72773 0.35560 1.0000 + O O1114 1.0 0.67433 0.81106 0.35560 1.0000 + O O1115 1.0 0.67433 0.89439 0.35560 1.0000 + O O1116 1.0 0.67433 0.97773 0.35560 1.0000 + O O1117 1.0 0.75766 0.06106 0.35560 1.0000 + O O1118 1.0 0.75766 0.14439 0.35560 1.0000 + O O1119 1.0 0.75766 0.22773 0.35560 1.0000 + O O1120 1.0 0.75766 0.31106 0.35560 1.0000 + O O1121 1.0 0.75766 0.39439 0.35560 1.0000 + O O1122 1.0 0.75766 0.47773 0.35560 1.0000 + O O1123 1.0 0.75766 0.56106 0.35560 1.0000 + O O1124 1.0 0.75766 0.64439 0.35560 1.0000 + O O1125 1.0 0.75766 0.72773 0.35560 1.0000 + O O1126 1.0 0.75766 0.81106 0.35560 1.0000 + O O1127 1.0 0.75766 0.89439 0.35560 1.0000 + O O1128 1.0 0.75766 0.97773 0.35560 1.0000 + O O1129 1.0 0.84100 0.06106 0.35560 1.0000 + O O1130 1.0 0.84100 0.14439 0.35560 1.0000 + O O1131 1.0 0.84100 0.22773 0.35560 1.0000 + O O1132 1.0 0.84100 0.31106 0.35560 1.0000 + O O1133 1.0 0.84100 0.39439 0.35560 1.0000 + O O1134 1.0 0.84100 0.47773 0.35560 1.0000 + O O1135 1.0 0.84100 0.56106 0.35560 1.0000 + O O1136 1.0 0.84100 0.64439 0.35560 1.0000 + O O1137 1.0 0.84100 0.72773 0.35560 1.0000 + O O1138 1.0 0.84100 0.81106 0.35560 1.0000 + O O1139 1.0 0.84100 0.89439 0.35560 1.0000 + O O1140 1.0 0.84100 0.97773 0.35560 1.0000 + O O1141 1.0 0.92433 0.06106 0.35560 1.0000 + O O1142 1.0 0.92433 0.14439 0.35560 1.0000 + O O1143 1.0 0.92433 0.22773 0.35560 1.0000 + O O1144 1.0 0.92433 0.31106 0.35560 1.0000 + O O1145 1.0 0.92433 0.39439 0.35560 1.0000 + O O1146 1.0 0.92433 0.47773 0.35560 1.0000 + O O1147 1.0 0.92433 0.56106 0.35560 1.0000 + O O1148 1.0 0.92433 0.64439 0.35560 1.0000 + O O1149 1.0 0.92433 0.72773 0.35560 1.0000 + O O1150 1.0 0.92433 0.81106 0.35560 1.0000 + O O1151 1.0 0.92433 0.89439 0.35560 1.0000 + O O1152 1.0 0.92433 0.97773 0.35560 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4116_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4116_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..a328c150ae9a37469f3f0b9b1769c35c5ffe4afe --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4116_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Mn256Co256O1024 +_chemical_formula_sum "Mn256 Co256 O1024" +_cell_length_a 46.5736 +_cell_length_b 80.7642 +_cell_length_c 5.98288 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Mn Mn1 1.0 0.03125 0.03124 0.50023 1.0000 + Mn Mn2 1.0 0.03125 0.09374 0.50023 1.0000 + Mn Mn3 1.0 0.03125 0.15624 0.50023 1.0000 + Mn Mn4 1.0 0.03125 0.21874 0.50023 1.0000 + Mn Mn5 1.0 0.03125 0.28124 0.50023 1.0000 + Mn Mn6 1.0 0.03125 0.34374 0.50023 1.0000 + Mn Mn7 1.0 0.03125 0.40624 0.50023 1.0000 + Mn Mn8 1.0 0.03125 0.46874 0.50023 1.0000 + Mn Mn9 1.0 0.03125 0.53124 0.50023 1.0000 + Mn Mn10 1.0 0.03125 0.59374 0.50023 1.0000 + Mn Mn11 1.0 0.03125 0.65624 0.50023 1.0000 + Mn Mn12 1.0 0.03125 0.71874 0.50023 1.0000 + Mn Mn13 1.0 0.03125 0.78124 0.50023 1.0000 + Mn Mn14 1.0 0.03125 0.84374 0.50023 1.0000 + Mn Mn15 1.0 0.03125 0.90624 0.50023 1.0000 + Mn Mn16 1.0 0.03125 0.96874 0.50023 1.0000 + Mn Mn17 1.0 0.09375 0.03124 0.50023 1.0000 + Mn Mn18 1.0 0.09375 0.09374 0.50023 1.0000 + Mn Mn19 1.0 0.09375 0.15624 0.50023 1.0000 + Mn Mn20 1.0 0.09375 0.21874 0.50023 1.0000 + Mn Mn21 1.0 0.09375 0.28124 0.50023 1.0000 + Mn Mn22 1.0 0.09375 0.34374 0.50023 1.0000 + Mn Mn23 1.0 0.09375 0.40624 0.50023 1.0000 + Mn Mn24 1.0 0.09375 0.46874 0.50023 1.0000 + Mn Mn25 1.0 0.09375 0.53124 0.50023 1.0000 + Mn Mn26 1.0 0.09375 0.59374 0.50023 1.0000 + Mn Mn27 1.0 0.09375 0.65624 0.50023 1.0000 + Mn Mn28 1.0 0.09375 0.71874 0.50023 1.0000 + Mn Mn29 1.0 0.09375 0.78124 0.50023 1.0000 + Mn Mn30 1.0 0.09375 0.84374 0.50023 1.0000 + Mn Mn31 1.0 0.09375 0.90624 0.50023 1.0000 + Mn Mn32 1.0 0.09375 0.96874 0.50023 1.0000 + Mn Mn33 1.0 0.15625 0.03124 0.50023 1.0000 + Mn Mn34 1.0 0.15625 0.09374 0.50023 1.0000 + Mn Mn35 1.0 0.15625 0.15624 0.50023 1.0000 + Mn Mn36 1.0 0.15625 0.21874 0.50023 1.0000 + Mn Mn37 1.0 0.15625 0.28124 0.50023 1.0000 + Mn Mn38 1.0 0.15625 0.34374 0.50023 1.0000 + Mn Mn39 1.0 0.15625 0.40624 0.50023 1.0000 + Mn Mn40 1.0 0.15625 0.46874 0.50023 1.0000 + Mn Mn41 1.0 0.15625 0.53124 0.50023 1.0000 + Mn Mn42 1.0 0.15625 0.59374 0.50023 1.0000 + Mn Mn43 1.0 0.15625 0.65624 0.50023 1.0000 + Mn Mn44 1.0 0.15625 0.71874 0.50023 1.0000 + Mn Mn45 1.0 0.15625 0.78124 0.50023 1.0000 + Mn Mn46 1.0 0.15625 0.84374 0.50023 1.0000 + Mn Mn47 1.0 0.15625 0.90624 0.50023 1.0000 + Mn Mn48 1.0 0.15625 0.96874 0.50023 1.0000 + Mn Mn49 1.0 0.21875 0.03124 0.50023 1.0000 + Mn Mn50 1.0 0.21875 0.09374 0.50023 1.0000 + Mn Mn51 1.0 0.21875 0.15624 0.50023 1.0000 + Mn Mn52 1.0 0.21875 0.21874 0.50023 1.0000 + Mn Mn53 1.0 0.21875 0.28124 0.50023 1.0000 + Mn Mn54 1.0 0.21875 0.34374 0.50023 1.0000 + Mn Mn55 1.0 0.21875 0.40624 0.50023 1.0000 + Mn Mn56 1.0 0.21875 0.46874 0.50023 1.0000 + Mn Mn57 1.0 0.21875 0.53124 0.50023 1.0000 + Mn Mn58 1.0 0.21875 0.59374 0.50023 1.0000 + Mn Mn59 1.0 0.21875 0.65624 0.50023 1.0000 + Mn Mn60 1.0 0.21875 0.71874 0.50023 1.0000 + Mn Mn61 1.0 0.21875 0.78124 0.50023 1.0000 + Mn Mn62 1.0 0.21875 0.84374 0.50023 1.0000 + Mn Mn63 1.0 0.21875 0.90624 0.50023 1.0000 + Mn Mn64 1.0 0.21875 0.96874 0.50023 1.0000 + Mn Mn65 1.0 0.28125 0.03124 0.50023 1.0000 + Mn Mn66 1.0 0.28125 0.09374 0.50023 1.0000 + Mn Mn67 1.0 0.28125 0.15624 0.50023 1.0000 + Mn Mn68 1.0 0.28125 0.21874 0.50023 1.0000 + Mn Mn69 1.0 0.28125 0.28124 0.50023 1.0000 + Mn Mn70 1.0 0.28125 0.34374 0.50023 1.0000 + Mn Mn71 1.0 0.28125 0.40624 0.50023 1.0000 + Mn Mn72 1.0 0.28125 0.46874 0.50023 1.0000 + Mn Mn73 1.0 0.28125 0.53124 0.50023 1.0000 + Mn Mn74 1.0 0.28125 0.59374 0.50023 1.0000 + Mn Mn75 1.0 0.28125 0.65624 0.50023 1.0000 + Mn Mn76 1.0 0.28125 0.71874 0.50023 1.0000 + Mn Mn77 1.0 0.28125 0.78124 0.50023 1.0000 + Mn Mn78 1.0 0.28125 0.84374 0.50023 1.0000 + Mn Mn79 1.0 0.28125 0.90624 0.50023 1.0000 + Mn Mn80 1.0 0.28125 0.96874 0.50023 1.0000 + Mn Mn81 1.0 0.34375 0.03124 0.50023 1.0000 + Mn Mn82 1.0 0.34375 0.09374 0.50023 1.0000 + Mn Mn83 1.0 0.34375 0.15624 0.50023 1.0000 + Mn Mn84 1.0 0.34375 0.21874 0.50023 1.0000 + Mn Mn85 1.0 0.34375 0.28124 0.50023 1.0000 + Mn Mn86 1.0 0.34375 0.34374 0.50023 1.0000 + Mn Mn87 1.0 0.34375 0.40624 0.50023 1.0000 + Mn Mn88 1.0 0.34375 0.46874 0.50023 1.0000 + Mn Mn89 1.0 0.34375 0.53124 0.50023 1.0000 + Mn Mn90 1.0 0.34375 0.59374 0.50023 1.0000 + Mn Mn91 1.0 0.34375 0.65624 0.50023 1.0000 + Mn Mn92 1.0 0.34375 0.71874 0.50023 1.0000 + Mn Mn93 1.0 0.34375 0.78124 0.50023 1.0000 + Mn Mn94 1.0 0.34375 0.84374 0.50023 1.0000 + Mn Mn95 1.0 0.34375 0.90624 0.50023 1.0000 + Mn Mn96 1.0 0.34375 0.96874 0.50023 1.0000 + Mn Mn97 1.0 0.40625 0.03124 0.50023 1.0000 + Mn Mn98 1.0 0.40625 0.09374 0.50023 1.0000 + Mn Mn99 1.0 0.40625 0.15624 0.50023 1.0000 + Mn Mn100 1.0 0.40625 0.21874 0.50023 1.0000 + Mn Mn101 1.0 0.40625 0.28124 0.50023 1.0000 + Mn Mn102 1.0 0.40625 0.34374 0.50023 1.0000 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1.0 0.21876 0.44793 0.34344 1.0000 + O O825 1.0 0.21876 0.51043 0.34344 1.0000 + O O826 1.0 0.21876 0.57293 0.34344 1.0000 + O O827 1.0 0.21876 0.63543 0.34344 1.0000 + O O828 1.0 0.21876 0.69793 0.34344 1.0000 + O O829 1.0 0.21876 0.76043 0.34344 1.0000 + O O830 1.0 0.21876 0.82293 0.34344 1.0000 + O O831 1.0 0.21876 0.88543 0.34344 1.0000 + O O832 1.0 0.21876 0.94793 0.34344 1.0000 + O O833 1.0 0.28126 0.01043 0.34344 1.0000 + O O834 1.0 0.28126 0.07293 0.34344 1.0000 + O O835 1.0 0.28126 0.13543 0.34344 1.0000 + O O836 1.0 0.28126 0.19793 0.34344 1.0000 + O O837 1.0 0.28126 0.26043 0.34344 1.0000 + O O838 1.0 0.28126 0.32293 0.34344 1.0000 + O O839 1.0 0.28126 0.38543 0.34344 1.0000 + O O840 1.0 0.28126 0.44793 0.34344 1.0000 + O O841 1.0 0.28126 0.51043 0.34344 1.0000 + O O842 1.0 0.28126 0.57293 0.34344 1.0000 + O O843 1.0 0.28126 0.63543 0.34344 1.0000 + O O844 1.0 0.28126 0.69793 0.34344 1.0000 + O O845 1.0 0.28126 0.76043 0.34344 1.0000 + O O846 1.0 0.28126 0.82293 0.34344 1.0000 + O O847 1.0 0.28126 0.88543 0.34344 1.0000 + O O848 1.0 0.28126 0.94793 0.34344 1.0000 + O O849 1.0 0.34376 0.01043 0.34344 1.0000 + O O850 1.0 0.34376 0.07293 0.34344 1.0000 + O O851 1.0 0.34376 0.13543 0.34344 1.0000 + O O852 1.0 0.34376 0.19793 0.34344 1.0000 + O O853 1.0 0.34376 0.26043 0.34344 1.0000 + O O854 1.0 0.34376 0.32293 0.34344 1.0000 + O O855 1.0 0.34376 0.38543 0.34344 1.0000 + O O856 1.0 0.34376 0.44793 0.34344 1.0000 + O O857 1.0 0.34376 0.51043 0.34344 1.0000 + O O858 1.0 0.34376 0.57293 0.34344 1.0000 + O O859 1.0 0.34376 0.63543 0.34344 1.0000 + O O860 1.0 0.34376 0.69793 0.34344 1.0000 + O O861 1.0 0.34376 0.76043 0.34344 1.0000 + O O862 1.0 0.34376 0.82293 0.34344 1.0000 + O O863 1.0 0.34376 0.88543 0.34344 1.0000 + O O864 1.0 0.34376 0.94793 0.34344 1.0000 + O O865 1.0 0.40626 0.01043 0.34344 1.0000 + O O866 1.0 0.40626 0.07293 0.34344 1.0000 + O O867 1.0 0.40626 0.13543 0.34344 1.0000 + O O868 1.0 0.40626 0.19793 0.34344 1.0000 + O O869 1.0 0.40626 0.26043 0.34344 1.0000 + O O870 1.0 0.40626 0.32293 0.34344 1.0000 + O O871 1.0 0.40626 0.38543 0.34344 1.0000 + O O872 1.0 0.40626 0.44793 0.34344 1.0000 + O O873 1.0 0.40626 0.51043 0.34344 1.0000 + O O874 1.0 0.40626 0.57293 0.34344 1.0000 + O O875 1.0 0.40626 0.63543 0.34344 1.0000 + O O876 1.0 0.40626 0.69793 0.34344 1.0000 + O O877 1.0 0.40626 0.76043 0.34344 1.0000 + O O878 1.0 0.40626 0.82293 0.34344 1.0000 + O O879 1.0 0.40626 0.88543 0.34344 1.0000 + O O880 1.0 0.40626 0.94793 0.34344 1.0000 + O O881 1.0 0.46876 0.01043 0.34344 1.0000 + O O882 1.0 0.46876 0.07293 0.34344 1.0000 + O O883 1.0 0.46876 0.13543 0.34344 1.0000 + O O884 1.0 0.46876 0.19793 0.34344 1.0000 + O O885 1.0 0.46876 0.26043 0.34344 1.0000 + O O886 1.0 0.46876 0.32293 0.34344 1.0000 + O O887 1.0 0.46876 0.38543 0.34344 1.0000 + O O888 1.0 0.46876 0.44793 0.34344 1.0000 + O O889 1.0 0.46876 0.51043 0.34344 1.0000 + O O890 1.0 0.46876 0.57293 0.34344 1.0000 + O O891 1.0 0.46876 0.63543 0.34344 1.0000 + O O892 1.0 0.46876 0.69793 0.34344 1.0000 + O O893 1.0 0.46876 0.76043 0.34344 1.0000 + O O894 1.0 0.46876 0.82293 0.34344 1.0000 + O O895 1.0 0.46876 0.88543 0.34344 1.0000 + O O896 1.0 0.46876 0.94793 0.34344 1.0000 + O O897 1.0 0.53126 0.01043 0.34344 1.0000 + O O898 1.0 0.53126 0.07293 0.34344 1.0000 + O O899 1.0 0.53126 0.13543 0.34344 1.0000 + O O900 1.0 0.53126 0.19793 0.34344 1.0000 + O O901 1.0 0.53126 0.26043 0.34344 1.0000 + O O902 1.0 0.53126 0.32293 0.34344 1.0000 + O O903 1.0 0.53126 0.38543 0.34344 1.0000 + O O904 1.0 0.53126 0.44793 0.34344 1.0000 + O O905 1.0 0.53126 0.51043 0.34344 1.0000 + O O906 1.0 0.53126 0.57293 0.34344 1.0000 + O O907 1.0 0.53126 0.63543 0.34344 1.0000 + O O908 1.0 0.53126 0.69793 0.34344 1.0000 + O O909 1.0 0.53126 0.76043 0.34344 1.0000 + O O910 1.0 0.53126 0.82293 0.34344 1.0000 + O O911 1.0 0.53126 0.88543 0.34344 1.0000 + O O912 1.0 0.53126 0.94793 0.34344 1.0000 + O O913 1.0 0.59376 0.01043 0.34344 1.0000 + O O914 1.0 0.59376 0.07293 0.34344 1.0000 + O O915 1.0 0.59376 0.13543 0.34344 1.0000 + O O916 1.0 0.59376 0.19793 0.34344 1.0000 + O O917 1.0 0.59376 0.26043 0.34344 1.0000 + O O918 1.0 0.59376 0.32293 0.34344 1.0000 + O O919 1.0 0.59376 0.38543 0.34344 1.0000 + O O920 1.0 0.59376 0.44793 0.34344 1.0000 + O O921 1.0 0.59376 0.51043 0.34344 1.0000 + O O922 1.0 0.59376 0.57293 0.34344 1.0000 + O O923 1.0 0.59376 0.63543 0.34344 1.0000 + O O924 1.0 0.59376 0.69793 0.34344 1.0000 + O O925 1.0 0.59376 0.76043 0.34344 1.0000 + O O926 1.0 0.59376 0.82293 0.34344 1.0000 + O O927 1.0 0.59376 0.88543 0.34344 1.0000 + O O928 1.0 0.59376 0.94793 0.34344 1.0000 + O O929 1.0 0.65626 0.01043 0.34344 1.0000 + O O930 1.0 0.65626 0.07293 0.34344 1.0000 + O O931 1.0 0.65626 0.13543 0.34344 1.0000 + O O932 1.0 0.65626 0.19793 0.34344 1.0000 + O O933 1.0 0.65626 0.26043 0.34344 1.0000 + O O934 1.0 0.65626 0.32293 0.34344 1.0000 + O O935 1.0 0.65626 0.38543 0.34344 1.0000 + O O936 1.0 0.65626 0.44793 0.34344 1.0000 + O O937 1.0 0.65626 0.51043 0.34344 1.0000 + O O938 1.0 0.65626 0.57293 0.34344 1.0000 + O O939 1.0 0.65626 0.63543 0.34344 1.0000 + O O940 1.0 0.65626 0.69793 0.34344 1.0000 + O O941 1.0 0.65626 0.76043 0.34344 1.0000 + O O942 1.0 0.65626 0.82293 0.34344 1.0000 + O O943 1.0 0.65626 0.88543 0.34344 1.0000 + O O944 1.0 0.65626 0.94793 0.34344 1.0000 + O O945 1.0 0.71876 0.01043 0.34344 1.0000 + O O946 1.0 0.71876 0.07293 0.34344 1.0000 + O O947 1.0 0.71876 0.13543 0.34344 1.0000 + O O948 1.0 0.71876 0.19793 0.34344 1.0000 + O O949 1.0 0.71876 0.26043 0.34344 1.0000 + O O950 1.0 0.71876 0.32293 0.34344 1.0000 + O O951 1.0 0.71876 0.38543 0.34344 1.0000 + O O952 1.0 0.71876 0.44793 0.34344 1.0000 + O O953 1.0 0.71876 0.51043 0.34344 1.0000 + O O954 1.0 0.71876 0.57293 0.34344 1.0000 + O O955 1.0 0.71876 0.63543 0.34344 1.0000 + O O956 1.0 0.71876 0.69793 0.34344 1.0000 + O O957 1.0 0.71876 0.76043 0.34344 1.0000 + O O958 1.0 0.71876 0.82293 0.34344 1.0000 + O O959 1.0 0.71876 0.88543 0.34344 1.0000 + O O960 1.0 0.71876 0.94793 0.34344 1.0000 + O O961 1.0 0.78126 0.01043 0.34344 1.0000 + O O962 1.0 0.78126 0.07293 0.34344 1.0000 + O O963 1.0 0.78126 0.13543 0.34344 1.0000 + O O964 1.0 0.78126 0.19793 0.34344 1.0000 + O O965 1.0 0.78126 0.26043 0.34344 1.0000 + O O966 1.0 0.78126 0.32293 0.34344 1.0000 + O O967 1.0 0.78126 0.38543 0.34344 1.0000 + O O968 1.0 0.78126 0.44793 0.34344 1.0000 + O O969 1.0 0.78126 0.51043 0.34344 1.0000 + O O970 1.0 0.78126 0.57293 0.34344 1.0000 + O O971 1.0 0.78126 0.63543 0.34344 1.0000 + O O972 1.0 0.78126 0.69793 0.34344 1.0000 + O O973 1.0 0.78126 0.76043 0.34344 1.0000 + O O974 1.0 0.78126 0.82293 0.34344 1.0000 + O O975 1.0 0.78126 0.88543 0.34344 1.0000 + O O976 1.0 0.78126 0.94793 0.34344 1.0000 + O O977 1.0 0.84376 0.01043 0.34344 1.0000 + O O978 1.0 0.84376 0.07293 0.34344 1.0000 + O O979 1.0 0.84376 0.13543 0.34344 1.0000 + O O980 1.0 0.84376 0.19793 0.34344 1.0000 + O O981 1.0 0.84376 0.26043 0.34344 1.0000 + O O982 1.0 0.84376 0.32293 0.34344 1.0000 + O O983 1.0 0.84376 0.38543 0.34344 1.0000 + O O984 1.0 0.84376 0.44793 0.34344 1.0000 + O O985 1.0 0.84376 0.51043 0.34344 1.0000 + O O986 1.0 0.84376 0.57293 0.34344 1.0000 + O O987 1.0 0.84376 0.63543 0.34344 1.0000 + O O988 1.0 0.84376 0.69793 0.34344 1.0000 + O O989 1.0 0.84376 0.76043 0.34344 1.0000 + O O990 1.0 0.84376 0.82293 0.34344 1.0000 + O O991 1.0 0.84376 0.88543 0.34344 1.0000 + O O992 1.0 0.84376 0.94793 0.34344 1.0000 + O O993 1.0 0.90626 0.01043 0.34344 1.0000 + O O994 1.0 0.90626 0.07293 0.34344 1.0000 + O O995 1.0 0.90626 0.13543 0.34344 1.0000 + O O996 1.0 0.90626 0.19793 0.34344 1.0000 + O O997 1.0 0.90626 0.26043 0.34344 1.0000 + O O998 1.0 0.90626 0.32293 0.34344 1.0000 + O O999 1.0 0.90626 0.38543 0.34344 1.0000 + O O1000 1.0 0.90626 0.44793 0.34344 1.0000 + O O1001 1.0 0.90626 0.51043 0.34344 1.0000 + O O1002 1.0 0.90626 0.57293 0.34344 1.0000 + O O1003 1.0 0.90626 0.63543 0.34344 1.0000 + O O1004 1.0 0.90626 0.69793 0.34344 1.0000 + O O1005 1.0 0.90626 0.76043 0.34344 1.0000 + O O1006 1.0 0.90626 0.82293 0.34344 1.0000 + O O1007 1.0 0.90626 0.88543 0.34344 1.0000 + O O1008 1.0 0.90626 0.94793 0.34344 1.0000 + O O1009 1.0 0.96876 0.01043 0.34344 1.0000 + O O1010 1.0 0.96876 0.07293 0.34344 1.0000 + O O1011 1.0 0.96876 0.13543 0.34344 1.0000 + O O1012 1.0 0.96876 0.19793 0.34344 1.0000 + O O1013 1.0 0.96876 0.26043 0.34344 1.0000 + O O1014 1.0 0.96876 0.32293 0.34344 1.0000 + O O1015 1.0 0.96876 0.38543 0.34344 1.0000 + O O1016 1.0 0.96876 0.44793 0.34344 1.0000 + O O1017 1.0 0.96876 0.51043 0.34344 1.0000 + O O1018 1.0 0.96876 0.57293 0.34344 1.0000 + O O1019 1.0 0.96876 0.63543 0.34344 1.0000 + O O1020 1.0 0.96876 0.69793 0.34344 1.0000 + O O1021 1.0 0.96876 0.76043 0.34344 1.0000 + O O1022 1.0 0.96876 0.82293 0.34344 1.0000 + O O1023 1.0 0.96876 0.88543 0.34344 1.0000 + O O1024 1.0 0.96876 0.94793 0.34344 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4136_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4136_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..b41f1a97994eb0ea29501a49eb6d472c3892aee8 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4136_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Pt256S512Pt256S512 +_chemical_formula_sum "Pt512 S1024" +_cell_length_a 98.634 +_cell_length_b 56.9464 +_cell_length_c 6.51016 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Pt Pt1 1.0 0.00000 0.00000 0.50000 1.0000 + Pt Pt2 1.0 0.96875 0.03125 0.50000 1.0000 + Pt Pt3 1.0 0.93750 0.06250 0.50000 1.0000 + Pt Pt4 1.0 0.40625 0.59375 0.50000 1.0000 + Pt Pt5 1.0 0.87500 0.12500 0.50000 1.0000 + Pt Pt6 1.0 0.84375 0.15625 0.50000 1.0000 + Pt Pt7 1.0 0.31250 0.68750 0.50000 1.0000 + Pt Pt8 1.0 0.78125 0.21875 0.50000 1.0000 + Pt Pt9 1.0 0.75000 0.25000 0.50000 1.0000 + Pt Pt10 1.0 0.71875 0.28125 0.50000 1.0000 + Pt Pt11 1.0 0.68750 0.31250 0.50000 1.0000 + Pt Pt12 1.0 0.65625 0.34375 0.50000 1.0000 + Pt Pt13 1.0 0.12500 0.87500 0.50000 1.0000 + Pt Pt14 1.0 0.09375 0.90625 0.50000 1.0000 + Pt Pt15 1.0 0.56250 0.43750 0.50000 1.0000 + Pt Pt16 1.0 0.53125 0.46875 0.50000 1.0000 + Pt Pt17 1.0 0.03125 0.03125 0.50000 1.0000 + Pt Pt18 1.0 0.00000 0.06250 0.50000 1.0000 + Pt Pt19 1.0 0.96875 0.09375 0.50000 1.0000 + Pt Pt20 1.0 0.93750 0.12500 0.50000 1.0000 + Pt Pt21 1.0 0.90625 0.15625 0.50000 1.0000 + Pt Pt22 1.0 0.87500 0.18750 0.50000 1.0000 + Pt Pt23 1.0 0.84375 0.21875 0.50000 1.0000 + Pt Pt24 1.0 0.81250 0.25000 0.50000 1.0000 + Pt Pt25 1.0 0.78125 0.28125 0.50000 1.0000 + Pt Pt26 1.0 0.75000 0.31250 0.50000 1.0000 + Pt Pt27 1.0 0.71875 0.34375 0.50000 1.0000 + Pt Pt28 1.0 0.68750 0.37500 0.50000 1.0000 + Pt Pt29 1.0 0.65625 0.40625 0.50000 1.0000 + Pt Pt30 1.0 0.62500 0.43750 0.50000 1.0000 + Pt Pt31 1.0 0.59375 0.46875 0.50000 1.0000 + Pt Pt32 1.0 0.56250 0.50000 0.50000 1.0000 + Pt Pt33 1.0 0.06250 0.06250 0.50000 1.0000 + Pt Pt34 1.0 0.03125 0.09375 0.50000 1.0000 + Pt Pt35 1.0 0.00000 0.12500 0.50000 1.0000 + Pt Pt36 1.0 0.96875 0.15625 0.50000 1.0000 + Pt Pt37 1.0 0.93750 0.18750 0.50000 1.0000 + Pt Pt38 1.0 0.90625 0.21875 0.50000 1.0000 + Pt Pt39 1.0 0.87500 0.25000 0.50000 1.0000 + Pt Pt40 1.0 0.84375 0.28125 0.50000 1.0000 + Pt Pt41 1.0 0.81250 0.31250 0.50000 1.0000 + Pt Pt42 1.0 0.78125 0.34375 0.50000 1.0000 + Pt Pt43 1.0 0.75000 0.37500 0.50000 1.0000 + Pt Pt44 1.0 0.71875 0.40625 0.50000 1.0000 + Pt Pt45 1.0 0.68750 0.43750 0.50000 1.0000 + Pt Pt46 1.0 0.65625 0.46875 0.50000 1.0000 + Pt Pt47 1.0 0.62500 0.50000 0.50000 1.0000 + Pt Pt48 1.0 0.59375 0.53125 0.50000 1.0000 + Pt Pt49 1.0 0.09375 0.09375 0.50000 1.0000 + Pt Pt50 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0.30208 0.53125 0.30721 1.0000 + S S469 1.0 0.27083 0.56250 0.30721 1.0000 + S S470 1.0 0.23958 0.59375 0.30721 1.0000 + S S471 1.0 0.20833 0.62500 0.30721 1.0000 + S S472 1.0 0.17708 0.65625 0.30721 1.0000 + S S473 1.0 0.14583 0.68750 0.30721 1.0000 + S S474 1.0 0.11458 0.71875 0.30721 1.0000 + S S475 1.0 0.08333 0.75000 0.30721 1.0000 + S S476 1.0 0.05208 0.78125 0.30721 1.0000 + S S477 1.0 0.02083 0.81250 0.30721 1.0000 + S S478 1.0 0.98958 0.84375 0.30721 1.0000 + S S479 1.0 0.95833 0.87500 0.30721 1.0000 + S S480 1.0 0.92708 0.90625 0.30721 1.0000 + S S481 1.0 0.42708 0.46875 0.30721 1.0000 + S S482 1.0 0.39583 0.50000 0.30721 1.0000 + S S483 1.0 0.36458 0.53125 0.30721 1.0000 + S S484 1.0 0.33333 0.56250 0.30721 1.0000 + S S485 1.0 0.30208 0.59375 0.30721 1.0000 + S S486 1.0 0.27083 0.62500 0.30721 1.0000 + S S487 1.0 0.23958 0.65625 0.30721 1.0000 + S S488 1.0 0.20833 0.68750 0.30721 1.0000 + S S489 1.0 0.17708 0.71875 0.30721 1.0000 + S S490 1.0 0.14583 0.75000 0.30721 1.0000 + S S491 1.0 0.11458 0.78125 0.30721 1.0000 + S S492 1.0 0.08333 0.81250 0.30721 1.0000 + S S493 1.0 0.05208 0.84375 0.30721 1.0000 + S S494 1.0 0.02083 0.87500 0.30721 1.0000 + S S495 1.0 0.98958 0.90625 0.30721 1.0000 + S S496 1.0 0.95833 0.93750 0.30721 1.0000 + S S497 1.0 0.45833 0.50000 0.30721 1.0000 + S S498 1.0 0.42708 0.53125 0.30721 1.0000 + S S499 1.0 0.39583 0.56250 0.30721 1.0000 + S S500 1.0 0.36458 0.59375 0.30721 1.0000 + S S501 1.0 0.33333 0.62500 0.30721 1.0000 + S S502 1.0 0.30208 0.65625 0.30721 1.0000 + S S503 1.0 0.27083 0.68750 0.30721 1.0000 + S S504 1.0 0.23958 0.71875 0.30721 1.0000 + S S505 1.0 0.20833 0.75000 0.30721 1.0000 + S S506 1.0 0.17708 0.78125 0.30721 1.0000 + S S507 1.0 0.14583 0.81250 0.30721 1.0000 + S S508 1.0 0.11458 0.84375 0.30721 1.0000 + S S509 1.0 0.08333 0.87500 0.30721 1.0000 + S S510 1.0 0.05208 0.90625 0.30721 1.0000 + S S511 1.0 0.02083 0.93750 0.30721 1.0000 + S S512 1.0 0.98958 0.96875 0.30721 1.0000 + Pt Pt257 1.0 0.50000 0.50000 0.50000 1.0000 + Pt Pt258 1.0 0.46875 0.53125 0.50000 1.0000 + Pt Pt259 1.0 0.43750 0.56250 0.50000 1.0000 + Pt Pt260 1.0 0.90625 0.09375 0.50000 1.0000 + Pt Pt261 1.0 0.37500 0.62500 0.50000 1.0000 + Pt Pt262 1.0 0.34375 0.65625 0.50000 1.0000 + Pt Pt263 1.0 0.81250 0.18750 0.50000 1.0000 + Pt Pt264 1.0 0.28125 0.71875 0.50000 1.0000 + Pt Pt265 1.0 0.25000 0.75000 0.50000 1.0000 + Pt Pt266 1.0 0.21875 0.78125 0.50000 1.0000 + Pt Pt267 1.0 0.18750 0.81250 0.50000 1.0000 + Pt Pt268 1.0 0.15625 0.84375 0.50000 1.0000 + Pt Pt269 1.0 0.62500 0.37500 0.50000 1.0000 + Pt Pt270 1.0 0.59375 0.40625 0.50000 1.0000 + Pt Pt271 1.0 0.06250 0.93750 0.50000 1.0000 + Pt Pt272 1.0 0.03125 0.96875 0.50000 1.0000 + Pt Pt273 1.0 0.53125 0.53125 0.50000 1.0000 + Pt Pt274 1.0 0.50000 0.56250 0.50000 1.0000 + Pt Pt275 1.0 0.46875 0.59375 0.50000 1.0000 + Pt Pt276 1.0 0.43750 0.62500 0.50000 1.0000 + Pt Pt277 1.0 0.40625 0.65625 0.50000 1.0000 + Pt Pt278 1.0 0.37500 0.68750 0.50000 1.0000 + Pt Pt279 1.0 0.34375 0.71875 0.50000 1.0000 + Pt Pt280 1.0 0.31250 0.75000 0.50000 1.0000 + Pt Pt281 1.0 0.28125 0.78125 0.50000 1.0000 + Pt Pt282 1.0 0.25000 0.81250 0.50000 1.0000 + Pt Pt283 1.0 0.21875 0.84375 0.50000 1.0000 + Pt Pt284 1.0 0.18750 0.87500 0.50000 1.0000 + Pt Pt285 1.0 0.15625 0.90625 0.50000 1.0000 + Pt Pt286 1.0 0.12500 0.93750 0.50000 1.0000 + Pt Pt287 1.0 0.09375 0.96875 0.50000 1.0000 + Pt Pt288 1.0 0.06250 0.00000 0.50000 1.0000 + Pt Pt289 1.0 0.56250 0.56250 0.50000 1.0000 + Pt Pt290 1.0 0.53125 0.59375 0.50000 1.0000 + Pt Pt291 1.0 0.50000 0.62500 0.50000 1.0000 + Pt Pt292 1.0 0.46875 0.65625 0.50000 1.0000 + Pt Pt293 1.0 0.43750 0.68750 0.50000 1.0000 + Pt Pt294 1.0 0.40625 0.71875 0.50000 1.0000 + Pt Pt295 1.0 0.37500 0.75000 0.50000 1.0000 + Pt Pt296 1.0 0.34375 0.78125 0.50000 1.0000 + Pt Pt297 1.0 0.31250 0.81250 0.50000 1.0000 + Pt Pt298 1.0 0.28125 0.84375 0.50000 1.0000 + Pt Pt299 1.0 0.25000 0.87500 0.50000 1.0000 + Pt Pt300 1.0 0.21875 0.90625 0.50000 1.0000 + Pt Pt301 1.0 0.18750 0.93750 0.50000 1.0000 + Pt Pt302 1.0 0.15625 0.96875 0.50000 1.0000 + Pt Pt303 1.0 0.12500 0.00000 0.50000 1.0000 + Pt Pt304 1.0 0.09375 0.03125 0.50000 1.0000 + Pt Pt305 1.0 0.59375 0.59375 0.50000 1.0000 + Pt Pt306 1.0 0.56250 0.62500 0.50000 1.0000 + Pt Pt307 1.0 0.53125 0.65625 0.50000 1.0000 + Pt Pt308 1.0 0.50000 0.68750 0.50000 1.0000 + Pt Pt309 1.0 0.46875 0.71875 0.50000 1.0000 + Pt Pt310 1.0 0.43750 0.75000 0.50000 1.0000 + Pt Pt311 1.0 0.40625 0.78125 0.50000 1.0000 + Pt Pt312 1.0 0.37500 0.81250 0.50000 1.0000 + Pt Pt313 1.0 0.34375 0.84375 0.50000 1.0000 + Pt Pt314 1.0 0.31250 0.87500 0.50000 1.0000 + Pt Pt315 1.0 0.28125 0.90625 0.50000 1.0000 + Pt Pt316 1.0 0.25000 0.93750 0.50000 1.0000 + Pt Pt317 1.0 0.21875 0.96875 0.50000 1.0000 + Pt Pt318 1.0 0.18750 0.00000 0.50000 1.0000 + Pt Pt319 1.0 0.15625 0.03125 0.50000 1.0000 + Pt Pt320 1.0 0.12500 0.06250 0.50000 1.0000 + Pt Pt321 1.0 0.62500 0.62500 0.50000 1.0000 + Pt Pt322 1.0 0.59375 0.65625 0.50000 1.0000 + Pt Pt323 1.0 0.56250 0.68750 0.50000 1.0000 + Pt Pt324 1.0 0.53125 0.71875 0.50000 1.0000 + Pt Pt325 1.0 0.50000 0.75000 0.50000 1.0000 + Pt Pt326 1.0 0.46875 0.78125 0.50000 1.0000 + Pt Pt327 1.0 0.43750 0.81250 0.50000 1.0000 + Pt Pt328 1.0 0.40625 0.84375 0.50000 1.0000 + Pt Pt329 1.0 0.37500 0.87500 0.50000 1.0000 + Pt Pt330 1.0 0.34375 0.90625 0.50000 1.0000 + Pt Pt331 1.0 0.31250 0.93750 0.50000 1.0000 + Pt Pt332 1.0 0.28125 0.96875 0.50000 1.0000 + Pt Pt333 1.0 0.25000 0.00000 0.50000 1.0000 + Pt Pt334 1.0 0.21875 0.03125 0.50000 1.0000 + Pt Pt335 1.0 0.18750 0.06250 0.50000 1.0000 + Pt Pt336 1.0 0.15625 0.09375 0.50000 1.0000 + Pt Pt337 1.0 0.65625 0.65625 0.50000 1.0000 + Pt Pt338 1.0 0.62500 0.68750 0.50000 1.0000 + Pt Pt339 1.0 0.59375 0.71875 0.50000 1.0000 + Pt Pt340 1.0 0.56250 0.75000 0.50000 1.0000 + Pt Pt341 1.0 0.53125 0.78125 0.50000 1.0000 + Pt Pt342 1.0 0.50000 0.81250 0.50000 1.0000 + Pt Pt343 1.0 0.46875 0.84375 0.50000 1.0000 + Pt Pt344 1.0 0.43750 0.87500 0.50000 1.0000 + Pt Pt345 1.0 0.40625 0.90625 0.50000 1.0000 + Pt Pt346 1.0 0.37500 0.93750 0.50000 1.0000 + Pt Pt347 1.0 0.34375 0.96875 0.50000 1.0000 + Pt Pt348 1.0 0.31250 0.00000 0.50000 1.0000 + Pt Pt349 1.0 0.28125 0.03125 0.50000 1.0000 + Pt Pt350 1.0 0.25000 0.06250 0.50000 1.0000 + Pt Pt351 1.0 0.21875 0.09375 0.50000 1.0000 + Pt Pt352 1.0 0.18750 0.12500 0.50000 1.0000 + Pt Pt353 1.0 0.68750 0.68750 0.50000 1.0000 + Pt Pt354 1.0 0.65625 0.71875 0.50000 1.0000 + Pt Pt355 1.0 0.62500 0.75000 0.50000 1.0000 + Pt Pt356 1.0 0.59375 0.78125 0.50000 1.0000 + Pt Pt357 1.0 0.56250 0.81250 0.50000 1.0000 + Pt Pt358 1.0 0.53125 0.84375 0.50000 1.0000 + Pt Pt359 1.0 0.50000 0.87500 0.50000 1.0000 + Pt Pt360 1.0 0.46875 0.90625 0.50000 1.0000 + Pt Pt361 1.0 0.43750 0.93750 0.50000 1.0000 + Pt Pt362 1.0 0.40625 0.96875 0.50000 1.0000 + Pt Pt363 1.0 0.37500 0.00000 0.50000 1.0000 + Pt Pt364 1.0 0.34375 0.03125 0.50000 1.0000 + Pt Pt365 1.0 0.31250 0.06250 0.50000 1.0000 + Pt Pt366 1.0 0.28125 0.09375 0.50000 1.0000 + Pt Pt367 1.0 0.25000 0.12500 0.50000 1.0000 + Pt Pt368 1.0 0.21875 0.15625 0.50000 1.0000 + Pt Pt369 1.0 0.71875 0.71875 0.50000 1.0000 + Pt Pt370 1.0 0.68750 0.75000 0.50000 1.0000 + Pt Pt371 1.0 0.65625 0.78125 0.50000 1.0000 + Pt Pt372 1.0 0.62500 0.81250 0.50000 1.0000 + Pt Pt373 1.0 0.59375 0.84375 0.50000 1.0000 + Pt Pt374 1.0 0.56250 0.87500 0.50000 1.0000 + Pt Pt375 1.0 0.53125 0.90625 0.50000 1.0000 + Pt Pt376 1.0 0.50000 0.93750 0.50000 1.0000 + Pt Pt377 1.0 0.46875 0.96875 0.50000 1.0000 + Pt Pt378 1.0 0.43750 0.00000 0.50000 1.0000 + Pt Pt379 1.0 0.40625 0.03125 0.50000 1.0000 + Pt Pt380 1.0 0.37500 0.06250 0.50000 1.0000 + Pt Pt381 1.0 0.34375 0.09375 0.50000 1.0000 + Pt Pt382 1.0 0.31250 0.12500 0.50000 1.0000 + Pt Pt383 1.0 0.28125 0.15625 0.50000 1.0000 + Pt Pt384 1.0 0.25000 0.18750 0.50000 1.0000 + Pt Pt385 1.0 0.75000 0.75000 0.50000 1.0000 + Pt Pt386 1.0 0.71875 0.78125 0.50000 1.0000 + Pt Pt387 1.0 0.68750 0.81250 0.50000 1.0000 + Pt Pt388 1.0 0.65625 0.84375 0.50000 1.0000 + Pt Pt389 1.0 0.62500 0.87500 0.50000 1.0000 + Pt Pt390 1.0 0.59375 0.90625 0.50000 1.0000 + Pt Pt391 1.0 0.56250 0.93750 0.50000 1.0000 + Pt Pt392 1.0 0.53125 0.96875 0.50000 1.0000 + Pt Pt393 1.0 0.50000 0.00000 0.50000 1.0000 + Pt Pt394 1.0 0.46875 0.03125 0.50000 1.0000 + Pt Pt395 1.0 0.43750 0.06250 0.50000 1.0000 + Pt Pt396 1.0 0.40625 0.09375 0.50000 1.0000 + Pt Pt397 1.0 0.37500 0.12500 0.50000 1.0000 + Pt Pt398 1.0 0.34375 0.15625 0.50000 1.0000 + Pt Pt399 1.0 0.31250 0.18750 0.50000 1.0000 + Pt Pt400 1.0 0.28125 0.21875 0.50000 1.0000 + Pt Pt401 1.0 0.78125 0.78125 0.50000 1.0000 + Pt Pt402 1.0 0.75000 0.81250 0.50000 1.0000 + Pt Pt403 1.0 0.71875 0.84375 0.50000 1.0000 + Pt Pt404 1.0 0.68750 0.87500 0.50000 1.0000 + Pt Pt405 1.0 0.65625 0.90625 0.50000 1.0000 + Pt Pt406 1.0 0.62500 0.93750 0.50000 1.0000 + Pt Pt407 1.0 0.59375 0.96875 0.50000 1.0000 + Pt Pt408 1.0 0.56250 0.00000 0.50000 1.0000 + Pt Pt409 1.0 0.53125 0.03125 0.50000 1.0000 + Pt Pt410 1.0 0.50000 0.06250 0.50000 1.0000 + Pt Pt411 1.0 0.46875 0.09375 0.50000 1.0000 + Pt Pt412 1.0 0.43750 0.12500 0.50000 1.0000 + Pt Pt413 1.0 0.40625 0.15625 0.50000 1.0000 + Pt Pt414 1.0 0.37500 0.18750 0.50000 1.0000 + Pt Pt415 1.0 0.34375 0.21875 0.50000 1.0000 + Pt Pt416 1.0 0.31250 0.25000 0.50000 1.0000 + Pt Pt417 1.0 0.81250 0.81250 0.50000 1.0000 + Pt Pt418 1.0 0.78125 0.84375 0.50000 1.0000 + Pt Pt419 1.0 0.75000 0.87500 0.50000 1.0000 + Pt Pt420 1.0 0.71875 0.90625 0.50000 1.0000 + Pt Pt421 1.0 0.68750 0.93750 0.50000 1.0000 + Pt Pt422 1.0 0.65625 0.96875 0.50000 1.0000 + Pt Pt423 1.0 0.62500 0.00000 0.50000 1.0000 + Pt Pt424 1.0 0.59375 0.03125 0.50000 1.0000 + Pt Pt425 1.0 0.56250 0.06250 0.50000 1.0000 + Pt Pt426 1.0 0.53125 0.09375 0.50000 1.0000 + Pt Pt427 1.0 0.50000 0.12500 0.50000 1.0000 + Pt Pt428 1.0 0.46875 0.15625 0.50000 1.0000 + Pt Pt429 1.0 0.43750 0.18750 0.50000 1.0000 + Pt Pt430 1.0 0.40625 0.21875 0.50000 1.0000 + Pt Pt431 1.0 0.37500 0.25000 0.50000 1.0000 + Pt Pt432 1.0 0.34375 0.28125 0.50000 1.0000 + Pt Pt433 1.0 0.84375 0.84375 0.50000 1.0000 + Pt Pt434 1.0 0.81250 0.87500 0.50000 1.0000 + Pt Pt435 1.0 0.78125 0.90625 0.50000 1.0000 + Pt Pt436 1.0 0.75000 0.93750 0.50000 1.0000 + Pt Pt437 1.0 0.71875 0.96875 0.50000 1.0000 + Pt Pt438 1.0 0.68750 0.00000 0.50000 1.0000 + Pt Pt439 1.0 0.65625 0.03125 0.50000 1.0000 + Pt Pt440 1.0 0.62500 0.06250 0.50000 1.0000 + Pt Pt441 1.0 0.59375 0.09375 0.50000 1.0000 + Pt Pt442 1.0 0.56250 0.12500 0.50000 1.0000 + Pt Pt443 1.0 0.53125 0.15625 0.50000 1.0000 + Pt Pt444 1.0 0.50000 0.18750 0.50000 1.0000 + Pt Pt445 1.0 0.46875 0.21875 0.50000 1.0000 + Pt Pt446 1.0 0.43750 0.25000 0.50000 1.0000 + Pt Pt447 1.0 0.40625 0.28125 0.50000 1.0000 + Pt Pt448 1.0 0.37500 0.31250 0.50000 1.0000 + Pt Pt449 1.0 0.87500 0.87500 0.50000 1.0000 + Pt Pt450 1.0 0.84375 0.90625 0.50000 1.0000 + Pt Pt451 1.0 0.81250 0.93750 0.50000 1.0000 + Pt Pt452 1.0 0.78125 0.96875 0.50000 1.0000 + Pt Pt453 1.0 0.75000 0.00000 0.50000 1.0000 + Pt Pt454 1.0 0.71875 0.03125 0.50000 1.0000 + Pt Pt455 1.0 0.68750 0.06250 0.50000 1.0000 + Pt Pt456 1.0 0.65625 0.09375 0.50000 1.0000 + Pt Pt457 1.0 0.62500 0.12500 0.50000 1.0000 + Pt Pt458 1.0 0.59375 0.15625 0.50000 1.0000 + Pt Pt459 1.0 0.56250 0.18750 0.50000 1.0000 + Pt Pt460 1.0 0.53125 0.21875 0.50000 1.0000 + Pt Pt461 1.0 0.50000 0.25000 0.50000 1.0000 + Pt Pt462 1.0 0.46875 0.28125 0.50000 1.0000 + Pt Pt463 1.0 0.43750 0.31250 0.50000 1.0000 + Pt Pt464 1.0 0.40625 0.34375 0.50000 1.0000 + Pt Pt465 1.0 0.90625 0.90625 0.50000 1.0000 + Pt Pt466 1.0 0.87500 0.93750 0.50000 1.0000 + Pt Pt467 1.0 0.84375 0.96875 0.50000 1.0000 + Pt Pt468 1.0 0.81250 0.00000 0.50000 1.0000 + Pt Pt469 1.0 0.78125 0.03125 0.50000 1.0000 + Pt Pt470 1.0 0.75000 0.06250 0.50000 1.0000 + Pt Pt471 1.0 0.71875 0.09375 0.50000 1.0000 + Pt Pt472 1.0 0.68750 0.12500 0.50000 1.0000 + Pt Pt473 1.0 0.65625 0.15625 0.50000 1.0000 + Pt Pt474 1.0 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b/tier2/cif_file/orthogonal_2dm-4156_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..e0b69345506386692ca3dc6d7063288db023cdbe --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4156_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Fe256Co256O1024 +_chemical_formula_sum "Fe256 Co256 O1024" +_cell_length_a 46.5934 +_cell_length_b 80.2759 +_cell_length_c 5.92438 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Fe Fe1 1.0 0.00000 0.00000 0.50000 1.0000 + Fe Fe2 1.0 0.00000 0.06250 0.50000 1.0000 + Fe Fe3 1.0 0.00000 0.12500 0.50000 1.0000 + Fe Fe4 1.0 0.00000 0.18750 0.50000 1.0000 + Fe Fe5 1.0 0.00000 0.25000 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1.0000 + O O1019 1.0 0.93750 0.64659 0.33842 1.0000 + O O1020 1.0 0.93750 0.70909 0.33842 1.0000 + O O1021 1.0 0.93750 0.77159 0.33842 1.0000 + O O1022 1.0 0.93750 0.83409 0.33842 1.0000 + O O1023 1.0 0.93750 0.89659 0.33842 1.0000 + O O1024 1.0 0.93750 0.95909 0.33842 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4198_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4198_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..3423a24fbca0bfdd1b222a529b0610b7dc55cb60 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4198_supercell_12x12x1.cif @@ -0,0 +1,1465 @@ +data_image0 +_chemical_formula_structural Fe288F1152 +_chemical_formula_sum "Fe288 F1152" +_cell_length_a 61.7075 +_cell_length_b 61.6616 +_cell_length_c 6.47692 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Fe Fe1 1.0 0.04203 0.08286 0.50030 1.0000 + Fe Fe2 1.0 0.04203 0.16619 0.50030 1.0000 + Fe Fe3 1.0 0.04203 0.24953 0.50030 1.0000 + Fe Fe4 1.0 0.04203 0.33286 0.50030 1.0000 + Fe Fe5 1.0 0.04203 0.41619 0.50030 1.0000 + Fe Fe6 1.0 0.04203 0.49953 0.50030 1.0000 + Fe Fe7 1.0 0.04203 0.58286 0.50030 1.0000 + Fe Fe8 1.0 0.04203 0.66619 0.50030 1.0000 + Fe Fe9 1.0 0.04203 0.74953 0.50030 1.0000 + Fe Fe10 1.0 0.04203 0.83286 0.50030 1.0000 + Fe Fe11 1.0 0.04203 0.91619 0.50030 1.0000 + Fe Fe12 1.0 0.04203 0.99953 0.50030 1.0000 + Fe Fe13 1.0 0.12536 0.08286 0.50030 1.0000 + Fe Fe14 1.0 0.12536 0.16619 0.50030 1.0000 + Fe Fe15 1.0 0.12536 0.24953 0.50030 1.0000 + Fe Fe16 1.0 0.12536 0.33286 0.50030 1.0000 + Fe Fe17 1.0 0.12536 0.41619 0.50030 1.0000 + Fe Fe18 1.0 0.12536 0.49953 0.50030 1.0000 + Fe Fe19 1.0 0.12536 0.58286 0.50030 1.0000 + Fe Fe20 1.0 0.12536 0.66619 0.50030 1.0000 + Fe Fe21 1.0 0.12536 0.74953 0.50030 1.0000 + Fe Fe22 1.0 0.12536 0.83286 0.50030 1.0000 + Fe Fe23 1.0 0.12536 0.91619 0.50030 1.0000 + Fe Fe24 1.0 0.12536 0.99953 0.50030 1.0000 + Fe Fe25 1.0 0.20869 0.08286 0.50030 1.0000 + Fe Fe26 1.0 0.20869 0.16619 0.50030 1.0000 + Fe Fe27 1.0 0.20869 0.24953 0.50030 1.0000 + Fe Fe28 1.0 0.20869 0.33286 0.50030 1.0000 + Fe Fe29 1.0 0.20869 0.41619 0.50030 1.0000 + Fe Fe30 1.0 0.20869 0.49953 0.50030 1.0000 + Fe Fe31 1.0 0.20869 0.58286 0.50030 1.0000 + Fe Fe32 1.0 0.20869 0.66619 0.50030 1.0000 + Fe Fe33 1.0 0.20869 0.74953 0.50030 1.0000 + Fe Fe34 1.0 0.20869 0.83286 0.50030 1.0000 + Fe Fe35 1.0 0.20869 0.91619 0.50030 1.0000 + Fe Fe36 1.0 0.20869 0.99953 0.50030 1.0000 + Fe Fe37 1.0 0.29203 0.08286 0.50030 1.0000 + Fe Fe38 1.0 0.29203 0.16619 0.50030 1.0000 + Fe Fe39 1.0 0.29203 0.24953 0.50030 1.0000 + Fe Fe40 1.0 0.29203 0.33286 0.50030 1.0000 + Fe Fe41 1.0 0.29203 0.41619 0.50030 1.0000 + Fe Fe42 1.0 0.29203 0.49953 0.50030 1.0000 + Fe Fe43 1.0 0.29203 0.58286 0.50030 1.0000 + Fe Fe44 1.0 0.29203 0.66619 0.50030 1.0000 + Fe Fe45 1.0 0.29203 0.74953 0.50030 1.0000 + Fe Fe46 1.0 0.29203 0.83286 0.50030 1.0000 + Fe Fe47 1.0 0.29203 0.91619 0.50030 1.0000 + Fe Fe48 1.0 0.29203 0.99953 0.50030 1.0000 + Fe Fe49 1.0 0.37536 0.08286 0.50030 1.0000 + Fe Fe50 1.0 0.37536 0.16619 0.50030 1.0000 + Fe Fe51 1.0 0.37536 0.24953 0.50030 1.0000 + Fe Fe52 1.0 0.37536 0.33286 0.50030 1.0000 + Fe Fe53 1.0 0.37536 0.41619 0.50030 1.0000 + Fe Fe54 1.0 0.37536 0.49953 0.50030 1.0000 + Fe Fe55 1.0 0.37536 0.58286 0.50030 1.0000 + Fe Fe56 1.0 0.37536 0.66619 0.50030 1.0000 + Fe Fe57 1.0 0.37536 0.74953 0.50030 1.0000 + Fe Fe58 1.0 0.37536 0.83286 0.50030 1.0000 + Fe Fe59 1.0 0.37536 0.91619 0.50030 1.0000 + Fe Fe60 1.0 0.37536 0.99953 0.50030 1.0000 + Fe Fe61 1.0 0.45869 0.08286 0.50030 1.0000 + Fe Fe62 1.0 0.45869 0.16619 0.50030 1.0000 + Fe Fe63 1.0 0.45869 0.24953 0.50030 1.0000 + Fe Fe64 1.0 0.45869 0.33286 0.50030 1.0000 + Fe Fe65 1.0 0.45869 0.41619 0.50030 1.0000 + Fe Fe66 1.0 0.45869 0.49953 0.50030 1.0000 + Fe Fe67 1.0 0.45869 0.58286 0.50030 1.0000 + Fe Fe68 1.0 0.45869 0.66619 0.50030 1.0000 + Fe Fe69 1.0 0.45869 0.74953 0.50030 1.0000 + Fe Fe70 1.0 0.45869 0.83286 0.50030 1.0000 + Fe Fe71 1.0 0.45869 0.91619 0.50030 1.0000 + Fe Fe72 1.0 0.45869 0.99953 0.50030 1.0000 + Fe Fe73 1.0 0.54203 0.08286 0.50030 1.0000 + Fe Fe74 1.0 0.54203 0.16619 0.50030 1.0000 + Fe Fe75 1.0 0.54203 0.24953 0.50030 1.0000 + Fe Fe76 1.0 0.54203 0.33286 0.50030 1.0000 + Fe Fe77 1.0 0.54203 0.41619 0.50030 1.0000 + Fe Fe78 1.0 0.54203 0.49953 0.50030 1.0000 + Fe Fe79 1.0 0.54203 0.58286 0.50030 1.0000 + Fe Fe80 1.0 0.54203 0.66619 0.50030 1.0000 + Fe Fe81 1.0 0.54203 0.74953 0.50030 1.0000 + Fe Fe82 1.0 0.54203 0.83286 0.50030 1.0000 + Fe Fe83 1.0 0.54203 0.91619 0.50030 1.0000 + Fe Fe84 1.0 0.54203 0.99953 0.50030 1.0000 + Fe Fe85 1.0 0.62536 0.08286 0.50030 1.0000 + Fe Fe86 1.0 0.62536 0.16619 0.50030 1.0000 + Fe Fe87 1.0 0.62536 0.24953 0.50030 1.0000 + Fe Fe88 1.0 0.62536 0.33286 0.50030 1.0000 + Fe Fe89 1.0 0.62536 0.41619 0.50030 1.0000 + Fe Fe90 1.0 0.62536 0.49953 0.50030 1.0000 + Fe Fe91 1.0 0.62536 0.58286 0.50030 1.0000 + Fe Fe92 1.0 0.62536 0.66619 0.50030 1.0000 + Fe Fe93 1.0 0.62536 0.74953 0.50030 1.0000 + Fe Fe94 1.0 0.62536 0.83286 0.50030 1.0000 + Fe Fe95 1.0 0.62536 0.91619 0.50030 1.0000 + Fe Fe96 1.0 0.62536 0.99953 0.50030 1.0000 + Fe Fe97 1.0 0.70869 0.08286 0.50030 1.0000 + Fe Fe98 1.0 0.70869 0.16619 0.50030 1.0000 + Fe Fe99 1.0 0.70869 0.24953 0.50030 1.0000 + Fe Fe100 1.0 0.70869 0.33286 0.50030 1.0000 + Fe Fe101 1.0 0.70869 0.41619 0.50030 1.0000 + Fe Fe102 1.0 0.70869 0.49953 0.50030 1.0000 + Fe Fe103 1.0 0.70869 0.58286 0.50030 1.0000 + Fe Fe104 1.0 0.70869 0.66619 0.50030 1.0000 + Fe Fe105 1.0 0.70869 0.74953 0.50030 1.0000 + Fe Fe106 1.0 0.70869 0.83286 0.50030 1.0000 + Fe Fe107 1.0 0.70869 0.91619 0.50030 1.0000 + Fe Fe108 1.0 0.70869 0.99953 0.50030 1.0000 + Fe Fe109 1.0 0.79203 0.08286 0.50030 1.0000 + Fe Fe110 1.0 0.79203 0.16619 0.50030 1.0000 + Fe Fe111 1.0 0.79203 0.24953 0.50030 1.0000 + Fe Fe112 1.0 0.79203 0.33286 0.50030 1.0000 + Fe Fe113 1.0 0.79203 0.41619 0.50030 1.0000 + Fe Fe114 1.0 0.79203 0.49953 0.50030 1.0000 + Fe Fe115 1.0 0.79203 0.58286 0.50030 1.0000 + Fe Fe116 1.0 0.79203 0.66619 0.50030 1.0000 + Fe Fe117 1.0 0.79203 0.74953 0.50030 1.0000 + Fe Fe118 1.0 0.79203 0.83286 0.50030 1.0000 + Fe Fe119 1.0 0.79203 0.91619 0.50030 1.0000 + Fe Fe120 1.0 0.79203 0.99953 0.50030 1.0000 + Fe Fe121 1.0 0.87536 0.08286 0.50030 1.0000 + Fe Fe122 1.0 0.87536 0.16619 0.50030 1.0000 + Fe Fe123 1.0 0.87536 0.24953 0.50030 1.0000 + Fe Fe124 1.0 0.87536 0.33286 0.50030 1.0000 + Fe Fe125 1.0 0.87536 0.41619 0.50030 1.0000 + Fe Fe126 1.0 0.87536 0.49953 0.50030 1.0000 + Fe Fe127 1.0 0.87536 0.58286 0.50030 1.0000 + Fe Fe128 1.0 0.87536 0.66619 0.50030 1.0000 + Fe Fe129 1.0 0.87536 0.74953 0.50030 1.0000 + Fe Fe130 1.0 0.87536 0.83286 0.50030 1.0000 + Fe Fe131 1.0 0.87536 0.91619 0.50030 1.0000 + Fe Fe132 1.0 0.87536 0.99953 0.50030 1.0000 + Fe Fe133 1.0 0.95869 0.08286 0.50030 1.0000 + Fe Fe134 1.0 0.95869 0.16619 0.50030 1.0000 + Fe Fe135 1.0 0.95869 0.24953 0.50030 1.0000 + Fe Fe136 1.0 0.95869 0.33286 0.50030 1.0000 + Fe Fe137 1.0 0.95869 0.41619 0.50030 1.0000 + Fe Fe138 1.0 0.95869 0.49953 0.50030 1.0000 + Fe Fe139 1.0 0.95869 0.58286 0.50030 1.0000 + Fe Fe140 1.0 0.95869 0.66619 0.50030 1.0000 + Fe Fe141 1.0 0.95869 0.74953 0.50030 1.0000 + Fe Fe142 1.0 0.95869 0.83286 0.50030 1.0000 + Fe Fe143 1.0 0.95869 0.91619 0.50030 1.0000 + Fe Fe144 1.0 0.95869 0.99953 0.50030 1.0000 + Fe Fe145 1.0 0.00059 0.04220 0.50018 1.0000 + Fe Fe146 1.0 0.00059 0.12554 0.50018 1.0000 + Fe Fe147 1.0 0.00059 0.20887 0.50018 1.0000 + Fe Fe148 1.0 0.00059 0.29220 0.50018 1.0000 + Fe Fe149 1.0 0.00059 0.37554 0.50018 1.0000 + Fe Fe150 1.0 0.00059 0.45887 0.50018 1.0000 + Fe Fe151 1.0 0.00059 0.54220 0.50018 1.0000 + Fe Fe152 1.0 0.00059 0.62554 0.50018 1.0000 + Fe Fe153 1.0 0.00059 0.70887 0.50018 1.0000 + Fe Fe154 1.0 0.00059 0.79220 0.50018 1.0000 + Fe Fe155 1.0 0.00059 0.87554 0.50018 1.0000 + Fe Fe156 1.0 0.00059 0.95887 0.50018 1.0000 + Fe Fe157 1.0 0.08392 0.04220 0.50018 1.0000 + Fe Fe158 1.0 0.08392 0.12554 0.50018 1.0000 + Fe Fe159 1.0 0.08392 0.20887 0.50018 1.0000 + Fe Fe160 1.0 0.08392 0.29220 0.50018 1.0000 + Fe Fe161 1.0 0.08392 0.37554 0.50018 1.0000 + Fe Fe162 1.0 0.08392 0.45887 0.50018 1.0000 + Fe Fe163 1.0 0.08392 0.54220 0.50018 1.0000 + Fe Fe164 1.0 0.08392 0.62554 0.50018 1.0000 + Fe Fe165 1.0 0.08392 0.70887 0.50018 1.0000 + Fe Fe166 1.0 0.08392 0.79220 0.50018 1.0000 + Fe Fe167 1.0 0.08392 0.87554 0.50018 1.0000 + Fe Fe168 1.0 0.08392 0.95887 0.50018 1.0000 + Fe Fe169 1.0 0.16726 0.04220 0.50018 1.0000 + Fe Fe170 1.0 0.16726 0.12554 0.50018 1.0000 + Fe Fe171 1.0 0.16726 0.20887 0.50018 1.0000 + Fe Fe172 1.0 0.16726 0.29220 0.50018 1.0000 + Fe Fe173 1.0 0.16726 0.37554 0.50018 1.0000 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0.50018 1.0000 + Fe Fe196 1.0 0.33392 0.29220 0.50018 1.0000 + Fe Fe197 1.0 0.33392 0.37554 0.50018 1.0000 + Fe Fe198 1.0 0.33392 0.45887 0.50018 1.0000 + Fe Fe199 1.0 0.33392 0.54220 0.50018 1.0000 + Fe Fe200 1.0 0.33392 0.62554 0.50018 1.0000 + Fe Fe201 1.0 0.33392 0.70887 0.50018 1.0000 + Fe Fe202 1.0 0.33392 0.79220 0.50018 1.0000 + Fe Fe203 1.0 0.33392 0.87554 0.50018 1.0000 + Fe Fe204 1.0 0.33392 0.95887 0.50018 1.0000 + Fe Fe205 1.0 0.41726 0.04220 0.50018 1.0000 + Fe Fe206 1.0 0.41726 0.12554 0.50018 1.0000 + Fe Fe207 1.0 0.41726 0.20887 0.50018 1.0000 + Fe Fe208 1.0 0.41726 0.29220 0.50018 1.0000 + Fe Fe209 1.0 0.41726 0.37554 0.50018 1.0000 + Fe Fe210 1.0 0.41726 0.45887 0.50018 1.0000 + Fe Fe211 1.0 0.41726 0.54220 0.50018 1.0000 + Fe Fe212 1.0 0.41726 0.62554 0.50018 1.0000 + Fe Fe213 1.0 0.41726 0.70887 0.50018 1.0000 + Fe Fe214 1.0 0.41726 0.79220 0.50018 1.0000 + Fe Fe215 1.0 0.41726 0.87554 0.50018 1.0000 + Fe Fe216 1.0 0.41726 0.95887 0.50018 1.0000 + Fe Fe217 1.0 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Fe Fe239 1.0 0.58392 0.87554 0.50018 1.0000 + Fe Fe240 1.0 0.58392 0.95887 0.50018 1.0000 + Fe Fe241 1.0 0.66726 0.04220 0.50018 1.0000 + Fe Fe242 1.0 0.66726 0.12554 0.50018 1.0000 + Fe Fe243 1.0 0.66726 0.20887 0.50018 1.0000 + Fe Fe244 1.0 0.66726 0.29220 0.50018 1.0000 + Fe Fe245 1.0 0.66726 0.37554 0.50018 1.0000 + Fe Fe246 1.0 0.66726 0.45887 0.50018 1.0000 + Fe Fe247 1.0 0.66726 0.54220 0.50018 1.0000 + Fe Fe248 1.0 0.66726 0.62554 0.50018 1.0000 + Fe Fe249 1.0 0.66726 0.70887 0.50018 1.0000 + Fe Fe250 1.0 0.66726 0.79220 0.50018 1.0000 + Fe Fe251 1.0 0.66726 0.87554 0.50018 1.0000 + Fe Fe252 1.0 0.66726 0.95887 0.50018 1.0000 + Fe Fe253 1.0 0.75059 0.04220 0.50018 1.0000 + Fe Fe254 1.0 0.75059 0.12554 0.50018 1.0000 + Fe Fe255 1.0 0.75059 0.20887 0.50018 1.0000 + Fe Fe256 1.0 0.75059 0.29220 0.50018 1.0000 + Fe Fe257 1.0 0.75059 0.37554 0.50018 1.0000 + Fe Fe258 1.0 0.75059 0.45887 0.50018 1.0000 + Fe Fe259 1.0 0.75059 0.54220 0.50018 1.0000 + Fe Fe260 1.0 0.75059 0.62554 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F1710 1.0 0.17329 0.26906 0.33971 1.0000 + F F1711 1.0 0.21496 0.31073 0.33971 1.0000 + F F1712 1.0 0.25663 0.35239 0.33971 1.0000 + F F1713 1.0 0.29829 0.39406 0.33971 1.0000 + F F1714 1.0 0.33996 0.43573 0.33971 1.0000 + F F1715 1.0 0.38163 0.47739 0.33971 1.0000 + F F1716 1.0 0.42329 0.51906 0.33971 1.0000 + F F1717 1.0 0.00663 0.01906 0.33971 1.0000 + F F1718 1.0 0.04829 0.06073 0.33971 1.0000 + F F1719 1.0 0.08996 0.10239 0.33971 1.0000 + F F1720 1.0 0.13163 0.14406 0.33971 1.0000 + F F1721 1.0 0.17329 0.18573 0.33971 1.0000 + F F1722 1.0 0.21496 0.22739 0.33971 1.0000 + F F1723 1.0 0.25663 0.26906 0.33971 1.0000 + F F1724 1.0 0.29829 0.31073 0.33971 1.0000 + F F1725 1.0 0.33996 0.35239 0.33971 1.0000 + F F1726 1.0 0.38163 0.39406 0.33971 1.0000 + F F1727 1.0 0.42329 0.43573 0.33971 1.0000 + F F1728 1.0 0.46496 0.47739 0.33971 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4233_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4233_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..f8d0971c139f07aeea6fba43de2c3648a4732803 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4233_supercell_12x12x1.cif @@ -0,0 +1,3193 @@ +data_image0 +_chemical_formula_structural Fe432O144F1008Fe432O144F1008 +_chemical_formula_sum "Fe864 O288 F2016" +_cell_length_a 127.097 +_cell_length_b 73.3796 +_cell_length_c 6.04345 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Fe Fe1 1.0 0.01441 0.00000 0.48955 1.0000 + Fe Fe2 1.0 0.05608 0.04167 0.48955 1.0000 + Fe Fe3 1.0 0.09775 0.08333 0.48955 1.0000 + Fe Fe4 1.0 0.13941 0.12500 0.48955 1.0000 + Fe Fe5 1.0 0.18108 0.16667 0.48955 1.0000 + Fe Fe6 1.0 0.22275 0.20833 0.48955 1.0000 + Fe Fe7 1.0 0.26441 0.25000 0.48955 1.0000 + Fe Fe8 1.0 0.30608 0.29167 0.48955 1.0000 + Fe Fe9 1.0 0.34775 0.33333 0.48955 1.0000 + Fe Fe10 1.0 0.38941 0.37500 0.48955 1.0000 + Fe Fe11 1.0 0.43108 0.41667 0.48955 1.0000 + Fe Fe12 1.0 0.47275 0.45833 0.48955 1.0000 + Fe Fe13 1.0 0.05608 0.95833 0.48955 1.0000 + Fe Fe14 1.0 0.09775 0.00000 0.48955 1.0000 + Fe Fe15 1.0 0.13941 0.04167 0.48955 1.0000 + Fe Fe16 1.0 0.18108 0.08333 0.48955 1.0000 + Fe Fe17 1.0 0.22275 0.12500 0.48955 1.0000 + Fe Fe18 1.0 0.26441 0.16667 0.48955 1.0000 + Fe Fe19 1.0 0.30608 0.20833 0.48955 1.0000 + Fe Fe20 1.0 0.34775 0.25000 0.48955 1.0000 + Fe Fe21 1.0 0.38941 0.29167 0.48955 1.0000 + Fe Fe22 1.0 0.43108 0.33333 0.48955 1.0000 + Fe Fe23 1.0 0.47275 0.37500 0.48955 1.0000 + Fe Fe24 1.0 0.51441 0.41667 0.48955 1.0000 + Fe Fe25 1.0 0.09775 0.91667 0.48955 1.0000 + Fe Fe26 1.0 0.13941 0.95833 0.48955 1.0000 + Fe Fe27 1.0 0.18108 0.00000 0.48955 1.0000 + Fe Fe28 1.0 0.22275 0.04167 0.48955 1.0000 + Fe Fe29 1.0 0.26441 0.08333 0.48955 1.0000 + Fe Fe30 1.0 0.30608 0.12500 0.48955 1.0000 + Fe Fe31 1.0 0.34775 0.16667 0.48955 1.0000 + Fe Fe32 1.0 0.38941 0.20833 0.48955 1.0000 + Fe Fe33 1.0 0.43108 0.25000 0.48955 1.0000 + Fe Fe34 1.0 0.47275 0.29167 0.48955 1.0000 + Fe Fe35 1.0 0.51441 0.33333 0.48955 1.0000 + Fe Fe36 1.0 0.55608 0.37500 0.48955 1.0000 + Fe Fe37 1.0 0.13941 0.87500 0.48955 1.0000 + Fe Fe38 1.0 0.18108 0.91667 0.48955 1.0000 + Fe Fe39 1.0 0.22275 0.95833 0.48955 1.0000 + Fe Fe40 1.0 0.26441 0.00000 0.48955 1.0000 + Fe Fe41 1.0 0.30608 0.04167 0.48955 1.0000 + Fe Fe42 1.0 0.34775 0.08333 0.48955 1.0000 + Fe Fe43 1.0 0.38941 0.12500 0.48955 1.0000 + Fe Fe44 1.0 0.43108 0.16667 0.48955 1.0000 + Fe Fe45 1.0 0.47275 0.20833 0.48955 1.0000 + Fe Fe46 1.0 0.51441 0.25000 0.48955 1.0000 + Fe Fe47 1.0 0.55608 0.29167 0.48955 1.0000 + Fe Fe48 1.0 0.59775 0.33333 0.48955 1.0000 + Fe Fe49 1.0 0.18108 0.83333 0.48955 1.0000 + Fe Fe50 1.0 0.22275 0.87500 0.48955 1.0000 + Fe Fe51 1.0 0.26441 0.91667 0.48955 1.0000 + Fe Fe52 1.0 0.30608 0.95833 0.48955 1.0000 + Fe Fe53 1.0 0.34775 1.00000 0.48955 1.0000 + Fe Fe54 1.0 0.38941 0.04167 0.48955 1.0000 + Fe Fe55 1.0 0.43108 0.08333 0.48955 1.0000 + Fe Fe56 1.0 0.47275 0.12500 0.48955 1.0000 + Fe Fe57 1.0 0.51441 0.16667 0.48955 1.0000 + Fe Fe58 1.0 0.55608 0.20833 0.48955 1.0000 + Fe Fe59 1.0 0.59775 0.25000 0.48955 1.0000 + Fe Fe60 1.0 0.63941 0.29167 0.48955 1.0000 + Fe Fe61 1.0 0.22275 0.79167 0.48955 1.0000 + Fe Fe62 1.0 0.26441 0.83333 0.48955 1.0000 + Fe Fe63 1.0 0.30608 0.87500 0.48955 1.0000 + Fe Fe64 1.0 0.34775 0.91667 0.48955 1.0000 + Fe Fe65 1.0 0.38941 0.95833 0.48955 1.0000 + Fe Fe66 1.0 0.43108 0.00000 0.48955 1.0000 + Fe Fe67 1.0 0.47275 0.04167 0.48955 1.0000 + Fe Fe68 1.0 0.51441 0.08333 0.48955 1.0000 + Fe Fe69 1.0 0.55608 0.12500 0.48955 1.0000 + Fe Fe70 1.0 0.59775 0.16667 0.48955 1.0000 + Fe Fe71 1.0 0.63941 0.20833 0.48955 1.0000 + Fe Fe72 1.0 0.68108 0.25000 0.48955 1.0000 + Fe Fe73 1.0 0.26441 0.75000 0.48955 1.0000 + Fe Fe74 1.0 0.30608 0.79167 0.48955 1.0000 + Fe Fe75 1.0 0.34775 0.83333 0.48955 1.0000 + Fe Fe76 1.0 0.38941 0.87500 0.48955 1.0000 + Fe Fe77 1.0 0.43108 0.91667 0.48955 1.0000 + Fe Fe78 1.0 0.47275 0.95833 0.48955 1.0000 + Fe Fe79 1.0 0.51441 0.00000 0.48955 1.0000 + Fe Fe80 1.0 0.55608 0.04167 0.48955 1.0000 + Fe Fe81 1.0 0.59775 0.08333 0.48955 1.0000 + Fe Fe82 1.0 0.63941 0.12500 0.48955 1.0000 + Fe Fe83 1.0 0.68108 0.16667 0.48955 1.0000 + Fe Fe84 1.0 0.72275 0.20833 0.48955 1.0000 + Fe Fe85 1.0 0.30608 0.70833 0.48955 1.0000 + Fe Fe86 1.0 0.34775 0.75000 0.48955 1.0000 + Fe Fe87 1.0 0.38941 0.79167 0.48955 1.0000 + Fe Fe88 1.0 0.43108 0.83333 0.48955 1.0000 + Fe Fe89 1.0 0.47275 0.87500 0.48955 1.0000 + Fe Fe90 1.0 0.51441 0.91667 0.48955 1.0000 + Fe Fe91 1.0 0.55608 0.95833 0.48955 1.0000 + Fe Fe92 1.0 0.59775 0.00000 0.48955 1.0000 + Fe Fe93 1.0 0.63941 0.04167 0.48955 1.0000 + Fe Fe94 1.0 0.68108 0.08333 0.48955 1.0000 + Fe Fe95 1.0 0.72275 0.12500 0.48955 1.0000 + Fe Fe96 1.0 0.76441 0.16667 0.48955 1.0000 + Fe Fe97 1.0 0.34775 0.66667 0.48955 1.0000 + Fe Fe98 1.0 0.38941 0.70833 0.48955 1.0000 + Fe Fe99 1.0 0.43108 0.75000 0.48955 1.0000 + Fe Fe100 1.0 0.47275 0.79167 0.48955 1.0000 + Fe Fe101 1.0 0.51441 0.83333 0.48955 1.0000 + Fe Fe102 1.0 0.55608 0.87500 0.48955 1.0000 + Fe Fe103 1.0 0.59775 0.91667 0.48955 1.0000 + Fe Fe104 1.0 0.63941 0.95833 0.48955 1.0000 + Fe Fe105 1.0 0.68108 1.00000 0.48955 1.0000 + Fe Fe106 1.0 0.72275 0.04167 0.48955 1.0000 + Fe Fe107 1.0 0.76441 0.08333 0.48955 1.0000 + Fe Fe108 1.0 0.80608 0.12500 0.48955 1.0000 + Fe Fe109 1.0 0.38941 0.62500 0.48955 1.0000 + Fe Fe110 1.0 0.43108 0.66667 0.48955 1.0000 + Fe Fe111 1.0 0.47275 0.70833 0.48955 1.0000 + Fe Fe112 1.0 0.51441 0.75000 0.48955 1.0000 + Fe Fe113 1.0 0.55608 0.79167 0.48955 1.0000 + Fe Fe114 1.0 0.59775 0.83333 0.48955 1.0000 + Fe Fe115 1.0 0.63941 0.87500 0.48955 1.0000 + Fe Fe116 1.0 0.68108 0.91667 0.48955 1.0000 + Fe Fe117 1.0 0.72275 0.95833 0.48955 1.0000 + Fe Fe118 1.0 0.76441 0.00000 0.48955 1.0000 + Fe Fe119 1.0 0.80608 0.04167 0.48955 1.0000 + Fe Fe120 1.0 0.84775 0.08333 0.48955 1.0000 + Fe Fe121 1.0 0.43108 0.58333 0.48955 1.0000 + Fe Fe122 1.0 0.47275 0.62500 0.48955 1.0000 + Fe Fe123 1.0 0.51441 0.66667 0.48955 1.0000 + Fe Fe124 1.0 0.55608 0.70833 0.48955 1.0000 + Fe Fe125 1.0 0.59775 0.75000 0.48955 1.0000 + Fe Fe126 1.0 0.63941 0.79167 0.48955 1.0000 + Fe Fe127 1.0 0.68108 0.83333 0.48955 1.0000 + Fe Fe128 1.0 0.72275 0.87500 0.48955 1.0000 + Fe Fe129 1.0 0.76441 0.91667 0.48955 1.0000 + Fe Fe130 1.0 0.80608 0.95833 0.48955 1.0000 + Fe Fe131 1.0 0.84775 0.00000 0.48955 1.0000 + Fe Fe132 1.0 0.88941 0.04167 0.48955 1.0000 + Fe Fe133 1.0 0.47275 0.54167 0.48955 1.0000 + Fe Fe134 1.0 0.51441 0.58333 0.48955 1.0000 + Fe Fe135 1.0 0.55608 0.62500 0.48955 1.0000 + Fe Fe136 1.0 0.59775 0.66667 0.48955 1.0000 + Fe Fe137 1.0 0.63941 0.70833 0.48955 1.0000 + Fe Fe138 1.0 0.68108 0.75000 0.48955 1.0000 + Fe Fe139 1.0 0.72275 0.79167 0.48955 1.0000 + Fe Fe140 1.0 0.76441 0.83333 0.48955 1.0000 + Fe Fe141 1.0 0.80608 0.87500 0.48955 1.0000 + Fe Fe142 1.0 0.84775 0.91667 0.48955 1.0000 + Fe Fe143 1.0 0.88941 0.95833 0.48955 1.0000 + Fe Fe144 1.0 0.93108 1.00000 0.48955 1.0000 + Fe Fe145 1.0 0.03446 0.02005 0.48955 1.0000 + Fe Fe146 1.0 0.07613 0.06171 0.48955 1.0000 + Fe Fe147 1.0 0.11779 0.10338 0.48955 1.0000 + Fe Fe148 1.0 0.15946 0.14505 0.48955 1.0000 + Fe Fe149 1.0 0.20113 0.18671 0.48955 1.0000 + Fe Fe150 1.0 0.24279 0.22838 0.48955 1.0000 + Fe Fe151 1.0 0.28446 0.27005 0.48955 1.0000 + Fe Fe152 1.0 0.32613 0.31171 0.48955 1.0000 + Fe Fe153 1.0 0.36779 0.35338 0.48955 1.0000 + Fe Fe154 1.0 0.40946 0.39505 0.48955 1.0000 + Fe Fe155 1.0 0.45113 0.43671 0.48955 1.0000 + Fe Fe156 1.0 0.49279 0.47838 0.48955 1.0000 + Fe Fe157 1.0 0.07613 0.97838 0.48955 1.0000 + Fe Fe158 1.0 0.11779 0.02005 0.48955 1.0000 + Fe Fe159 1.0 0.15946 0.06171 0.48955 1.0000 + Fe Fe160 1.0 0.20113 0.10338 0.48955 1.0000 + Fe Fe161 1.0 0.24279 0.14505 0.48955 1.0000 + Fe Fe162 1.0 0.28446 0.18671 0.48955 1.0000 + Fe Fe163 1.0 0.32613 0.22838 0.48955 1.0000 + Fe Fe164 1.0 0.36779 0.27005 0.48955 1.0000 + Fe Fe165 1.0 0.40946 0.31171 0.48955 1.0000 + Fe Fe166 1.0 0.45113 0.35338 0.48955 1.0000 + Fe Fe167 1.0 0.49279 0.39505 0.48955 1.0000 + Fe Fe168 1.0 0.53446 0.43671 0.48955 1.0000 + Fe Fe169 1.0 0.11779 0.93671 0.48955 1.0000 + Fe Fe170 1.0 0.15946 0.97838 0.48955 1.0000 + Fe Fe171 1.0 0.20113 0.02005 0.48955 1.0000 + Fe Fe172 1.0 0.24279 0.06171 0.48955 1.0000 + Fe Fe173 1.0 0.28446 0.10338 0.48955 1.0000 + Fe Fe174 1.0 0.32613 0.14505 0.48955 1.0000 + Fe Fe175 1.0 0.36779 0.18671 0.48955 1.0000 + Fe Fe176 1.0 0.40946 0.22838 0.48955 1.0000 + Fe Fe177 1.0 0.45113 0.27005 0.48955 1.0000 + Fe Fe178 1.0 0.49279 0.31171 0.48955 1.0000 + Fe Fe179 1.0 0.53446 0.35338 0.48955 1.0000 + Fe Fe180 1.0 0.57613 0.39505 0.48955 1.0000 + Fe Fe181 1.0 0.15946 0.89505 0.48955 1.0000 + Fe Fe182 1.0 0.20113 0.93671 0.48955 1.0000 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0.48955 1.0000 + Fe Fe205 1.0 0.24279 0.81171 0.48955 1.0000 + Fe Fe206 1.0 0.28446 0.85338 0.48955 1.0000 + Fe Fe207 1.0 0.32613 0.89505 0.48955 1.0000 + Fe Fe208 1.0 0.36779 0.93671 0.48955 1.0000 + Fe Fe209 1.0 0.40946 0.97838 0.48955 1.0000 + Fe Fe210 1.0 0.45113 0.02005 0.48955 1.0000 + Fe Fe211 1.0 0.49279 0.06171 0.48955 1.0000 + Fe Fe212 1.0 0.53446 0.10338 0.48955 1.0000 + Fe Fe213 1.0 0.57613 0.14505 0.48955 1.0000 + Fe Fe214 1.0 0.61779 0.18671 0.48955 1.0000 + Fe Fe215 1.0 0.65946 0.22838 0.48955 1.0000 + Fe Fe216 1.0 0.70113 0.27005 0.48955 1.0000 + Fe Fe217 1.0 0.28446 0.77005 0.48955 1.0000 + Fe Fe218 1.0 0.32613 0.81171 0.48955 1.0000 + Fe Fe219 1.0 0.36779 0.85338 0.48955 1.0000 + Fe Fe220 1.0 0.40946 0.89505 0.48955 1.0000 + Fe Fe221 1.0 0.45113 0.93671 0.48955 1.0000 + Fe Fe222 1.0 0.49279 0.97838 0.48955 1.0000 + Fe Fe223 1.0 0.53446 0.02005 0.48955 1.0000 + Fe Fe224 1.0 0.57613 0.06171 0.48955 1.0000 + Fe Fe225 1.0 0.61779 0.10338 0.48955 1.0000 + Fe Fe226 1.0 0.65946 0.14505 0.48955 1.0000 + Fe Fe227 1.0 0.70113 0.18671 0.48955 1.0000 + Fe Fe228 1.0 0.74279 0.22838 0.48955 1.0000 + Fe Fe229 1.0 0.32613 0.72838 0.48955 1.0000 + Fe Fe230 1.0 0.36779 0.77005 0.48955 1.0000 + Fe Fe231 1.0 0.40946 0.81171 0.48955 1.0000 + Fe Fe232 1.0 0.45113 0.85338 0.48955 1.0000 + Fe Fe233 1.0 0.49279 0.89505 0.48955 1.0000 + Fe Fe234 1.0 0.53446 0.93671 0.48955 1.0000 + Fe Fe235 1.0 0.57613 0.97838 0.48955 1.0000 + Fe Fe236 1.0 0.61779 0.02005 0.48955 1.0000 + Fe Fe237 1.0 0.65946 0.06171 0.48955 1.0000 + Fe Fe238 1.0 0.70113 0.10338 0.48955 1.0000 + Fe Fe239 1.0 0.74279 0.14505 0.48955 1.0000 + Fe Fe240 1.0 0.78446 0.18671 0.48955 1.0000 + Fe Fe241 1.0 0.36779 0.68671 0.48955 1.0000 + Fe Fe242 1.0 0.40946 0.72838 0.48955 1.0000 + Fe Fe243 1.0 0.45113 0.77005 0.48955 1.0000 + Fe Fe244 1.0 0.49279 0.81171 0.48955 1.0000 + Fe Fe245 1.0 0.53446 0.85338 0.48955 1.0000 + Fe Fe246 1.0 0.57613 0.89505 0.48955 1.0000 + Fe Fe247 1.0 0.61779 0.93671 0.48955 1.0000 + Fe Fe248 1.0 0.65946 0.97838 0.48955 1.0000 + Fe Fe249 1.0 0.70113 0.02005 0.48955 1.0000 + Fe Fe250 1.0 0.74279 0.06171 0.48955 1.0000 + Fe Fe251 1.0 0.78446 0.10338 0.48955 1.0000 + Fe Fe252 1.0 0.82613 0.14505 0.48955 1.0000 + Fe Fe253 1.0 0.40946 0.64505 0.48955 1.0000 + Fe Fe254 1.0 0.45113 0.68671 0.48955 1.0000 + Fe Fe255 1.0 0.49279 0.72838 0.48955 1.0000 + Fe Fe256 1.0 0.53446 0.77005 0.48955 1.0000 + Fe Fe257 1.0 0.57613 0.81171 0.48955 1.0000 + Fe Fe258 1.0 0.61779 0.85338 0.48955 1.0000 + Fe Fe259 1.0 0.65946 0.89505 0.48955 1.0000 + Fe Fe260 1.0 0.70113 0.93671 0.48955 1.0000 + Fe Fe261 1.0 0.74279 0.97838 0.48955 1.0000 + Fe Fe262 1.0 0.78446 0.02005 0.48955 1.0000 + Fe Fe263 1.0 0.82613 0.06171 0.48955 1.0000 + Fe Fe264 1.0 0.86779 0.10338 0.48955 1.0000 + Fe Fe265 1.0 0.45113 0.60338 0.48955 1.0000 + Fe Fe266 1.0 0.49279 0.64505 0.48955 1.0000 + Fe Fe267 1.0 0.53446 0.68671 0.48955 1.0000 + Fe Fe268 1.0 0.57613 0.72838 0.48955 1.0000 + Fe Fe269 1.0 0.61779 0.77005 0.48955 1.0000 + Fe Fe270 1.0 0.65946 0.81171 0.48955 1.0000 + Fe Fe271 1.0 0.70113 0.85338 0.48955 1.0000 + Fe Fe272 1.0 0.74279 0.89505 0.48955 1.0000 + Fe Fe273 1.0 0.78446 0.93671 0.48955 1.0000 + Fe Fe274 1.0 0.82613 0.97838 0.48955 1.0000 + Fe Fe275 1.0 0.86779 0.02005 0.48955 1.0000 + Fe Fe276 1.0 0.90946 0.06171 0.48955 1.0000 + Fe Fe277 1.0 0.49279 0.56171 0.48955 1.0000 + Fe Fe278 1.0 0.53446 0.60338 0.48955 1.0000 + Fe Fe279 1.0 0.57613 0.64505 0.48955 1.0000 + Fe Fe280 1.0 0.61779 0.68671 0.48955 1.0000 + Fe Fe281 1.0 0.65946 0.72838 0.48955 1.0000 + Fe Fe282 1.0 0.70113 0.77005 0.48955 1.0000 + Fe Fe283 1.0 0.74279 0.81171 0.48955 1.0000 + Fe Fe284 1.0 0.78446 0.85338 0.48955 1.0000 + Fe Fe285 1.0 0.82613 0.89505 0.48955 1.0000 + Fe Fe286 1.0 0.86779 0.93671 0.48955 1.0000 + Fe Fe287 1.0 0.90946 0.97838 0.48955 1.0000 + Fe Fe288 1.0 0.95113 0.02005 0.48955 1.0000 + Fe Fe289 1.0 0.03446 0.97995 0.48955 1.0000 + Fe Fe290 1.0 0.07613 0.02162 0.48955 1.0000 + Fe Fe291 1.0 0.11779 0.06329 0.48955 1.0000 + Fe Fe292 1.0 0.15946 0.10495 0.48955 1.0000 + Fe Fe293 1.0 0.20113 0.14662 0.48955 1.0000 + Fe Fe294 1.0 0.24279 0.18829 0.48955 1.0000 + Fe Fe295 1.0 0.28446 0.22995 0.48955 1.0000 + Fe Fe296 1.0 0.32613 0.27162 0.48955 1.0000 + Fe Fe297 1.0 0.36779 0.31329 0.48955 1.0000 + Fe Fe298 1.0 0.40946 0.35495 0.48955 1.0000 + Fe Fe299 1.0 0.45113 0.39662 0.48955 1.0000 + Fe Fe300 1.0 0.49279 0.43829 0.48955 1.0000 + Fe Fe301 1.0 0.07613 0.93829 0.48955 1.0000 + Fe Fe302 1.0 0.11779 0.97995 0.48955 1.0000 + Fe Fe303 1.0 0.15946 0.02162 0.48955 1.0000 + Fe Fe304 1.0 0.20113 0.06329 0.48955 1.0000 + Fe Fe305 1.0 0.24279 0.10495 0.48955 1.0000 + Fe Fe306 1.0 0.28446 0.14662 0.48955 1.0000 + Fe Fe307 1.0 0.32613 0.18829 0.48955 1.0000 + Fe Fe308 1.0 0.36779 0.22995 0.48955 1.0000 + Fe Fe309 1.0 0.40946 0.27162 0.48955 1.0000 + Fe Fe310 1.0 0.45113 0.31329 0.48955 1.0000 + Fe Fe311 1.0 0.49279 0.35495 0.48955 1.0000 + Fe Fe312 1.0 0.53446 0.39662 0.48955 1.0000 + Fe Fe313 1.0 0.11779 0.89662 0.48955 1.0000 + Fe Fe314 1.0 0.15946 0.93829 0.48955 1.0000 + Fe Fe315 1.0 0.20113 0.97995 0.48955 1.0000 + Fe Fe316 1.0 0.24279 0.02162 0.48955 1.0000 + Fe Fe317 1.0 0.28446 0.06329 0.48955 1.0000 + Fe Fe318 1.0 0.32613 0.10495 0.48955 1.0000 + Fe Fe319 1.0 0.36779 0.14662 0.48955 1.0000 + Fe Fe320 1.0 0.40946 0.18829 0.48955 1.0000 + Fe Fe321 1.0 0.45113 0.22995 0.48955 1.0000 + Fe Fe322 1.0 0.49279 0.27162 0.48955 1.0000 + Fe Fe323 1.0 0.53446 0.31329 0.48955 1.0000 + Fe Fe324 1.0 0.57613 0.35495 0.48955 1.0000 + Fe Fe325 1.0 0.15946 0.85495 0.48955 1.0000 + Fe Fe326 1.0 0.20113 0.89662 0.48955 1.0000 + Fe Fe327 1.0 0.24279 0.93829 0.48955 1.0000 + Fe Fe328 1.0 0.28446 0.97995 0.48955 1.0000 + Fe Fe329 1.0 0.32613 0.02162 0.48955 1.0000 + Fe Fe330 1.0 0.36779 0.06329 0.48955 1.0000 + Fe Fe331 1.0 0.40946 0.10495 0.48955 1.0000 + Fe Fe332 1.0 0.45113 0.14662 0.48955 1.0000 + Fe Fe333 1.0 0.49279 0.18829 0.48955 1.0000 + Fe Fe334 1.0 0.53446 0.22995 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1.0 0.80608 0.54167 0.48955 1.0000 + Fe Fe474 1.0 0.84775 0.58333 0.48955 1.0000 + Fe Fe475 1.0 0.88941 0.62500 0.48955 1.0000 + Fe Fe476 1.0 0.93108 0.66667 0.48955 1.0000 + Fe Fe477 1.0 0.97275 0.70833 0.48955 1.0000 + Fe Fe478 1.0 0.01441 0.75000 0.48955 1.0000 + Fe Fe479 1.0 0.05608 0.79167 0.48955 1.0000 + Fe Fe480 1.0 0.09775 0.83333 0.48955 1.0000 + Fe Fe481 1.0 0.68108 0.33333 0.48955 1.0000 + Fe Fe482 1.0 0.72275 0.37500 0.48955 1.0000 + Fe Fe483 1.0 0.76441 0.41667 0.48955 1.0000 + Fe Fe484 1.0 0.80608 0.45833 0.48955 1.0000 + Fe Fe485 1.0 0.84775 0.50000 0.48955 1.0000 + Fe Fe486 1.0 0.88941 0.54167 0.48955 1.0000 + Fe Fe487 1.0 0.93108 0.58333 0.48955 1.0000 + Fe Fe488 1.0 0.97275 0.62500 0.48955 1.0000 + Fe Fe489 1.0 0.01441 0.66667 0.48955 1.0000 + Fe Fe490 1.0 0.05608 0.70833 0.48955 1.0000 + Fe Fe491 1.0 0.09775 0.75000 0.48955 1.0000 + Fe Fe492 1.0 0.13941 0.79167 0.48955 1.0000 + Fe Fe493 1.0 0.72275 0.29167 0.48955 1.0000 + Fe Fe494 1.0 0.76441 0.33333 0.48955 1.0000 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Fe Fe560 1.0 0.22275 0.37500 0.48955 1.0000 + Fe Fe561 1.0 0.26441 0.41667 0.48955 1.0000 + Fe Fe562 1.0 0.30608 0.45833 0.48955 1.0000 + Fe Fe563 1.0 0.34775 0.50000 0.48955 1.0000 + Fe Fe564 1.0 0.38941 0.54167 0.48955 1.0000 + Fe Fe565 1.0 0.97275 0.04167 0.48955 1.0000 + Fe Fe566 1.0 0.01441 0.08333 0.48955 1.0000 + Fe Fe567 1.0 0.05608 0.12500 0.48955 1.0000 + Fe Fe568 1.0 0.09775 0.16667 0.48955 1.0000 + Fe Fe569 1.0 0.13941 0.20833 0.48955 1.0000 + Fe Fe570 1.0 0.18108 0.25000 0.48955 1.0000 + Fe Fe571 1.0 0.22275 0.29167 0.48955 1.0000 + Fe Fe572 1.0 0.26441 0.33333 0.48955 1.0000 + Fe Fe573 1.0 0.30608 0.37500 0.48955 1.0000 + Fe Fe574 1.0 0.34775 0.41667 0.48955 1.0000 + Fe Fe575 1.0 0.38941 0.45833 0.48955 1.0000 + Fe Fe576 1.0 0.43108 0.50000 0.48955 1.0000 + Fe Fe577 1.0 0.53446 0.52005 0.48955 1.0000 + Fe Fe578 1.0 0.57613 0.56171 0.48955 1.0000 + Fe Fe579 1.0 0.61779 0.60338 0.48955 1.0000 + Fe Fe580 1.0 0.65946 0.64505 0.48955 1.0000 + Fe Fe581 1.0 0.70113 0.68671 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0.70113 0.52005 0.48955 1.0000 + Fe Fe604 1.0 0.74279 0.56171 0.48955 1.0000 + Fe Fe605 1.0 0.78446 0.60338 0.48955 1.0000 + Fe Fe606 1.0 0.82613 0.64505 0.48955 1.0000 + Fe Fe607 1.0 0.86779 0.68671 0.48955 1.0000 + Fe Fe608 1.0 0.90946 0.72838 0.48955 1.0000 + Fe Fe609 1.0 0.95113 0.77005 0.48955 1.0000 + Fe Fe610 1.0 0.99279 0.81171 0.48955 1.0000 + Fe Fe611 1.0 0.03446 0.85338 0.48955 1.0000 + Fe Fe612 1.0 0.07613 0.89505 0.48955 1.0000 + Fe Fe613 1.0 0.65946 0.39505 0.48955 1.0000 + Fe Fe614 1.0 0.70113 0.43671 0.48955 1.0000 + Fe Fe615 1.0 0.74279 0.47838 0.48955 1.0000 + Fe Fe616 1.0 0.78446 0.52005 0.48955 1.0000 + Fe Fe617 1.0 0.82613 0.56171 0.48955 1.0000 + Fe Fe618 1.0 0.86779 0.60338 0.48955 1.0000 + Fe Fe619 1.0 0.90946 0.64505 0.48955 1.0000 + Fe Fe620 1.0 0.95113 0.68671 0.48955 1.0000 + Fe Fe621 1.0 0.99279 0.72838 0.48955 1.0000 + Fe Fe622 1.0 0.03446 0.77005 0.48955 1.0000 + Fe Fe623 1.0 0.07613 0.81171 0.48955 1.0000 + Fe Fe624 1.0 0.11779 0.85338 0.48955 1.0000 + Fe Fe625 1.0 0.70113 0.35338 0.48955 1.0000 + Fe Fe626 1.0 0.74279 0.39505 0.48955 1.0000 + Fe Fe627 1.0 0.78446 0.43671 0.48955 1.0000 + Fe Fe628 1.0 0.82613 0.47838 0.48955 1.0000 + Fe Fe629 1.0 0.86779 0.52005 0.48955 1.0000 + Fe Fe630 1.0 0.90946 0.56171 0.48955 1.0000 + Fe Fe631 1.0 0.95113 0.60338 0.48955 1.0000 + Fe Fe632 1.0 0.99279 0.64505 0.48955 1.0000 + Fe Fe633 1.0 0.03446 0.68671 0.48955 1.0000 + Fe Fe634 1.0 0.07613 0.72838 0.48955 1.0000 + Fe Fe635 1.0 0.11779 0.77005 0.48955 1.0000 + Fe Fe636 1.0 0.15946 0.81171 0.48955 1.0000 + Fe Fe637 1.0 0.74279 0.31171 0.48955 1.0000 + Fe Fe638 1.0 0.78446 0.35338 0.48955 1.0000 + Fe Fe639 1.0 0.82613 0.39505 0.48955 1.0000 + Fe Fe640 1.0 0.86779 0.43671 0.48955 1.0000 + Fe Fe641 1.0 0.90946 0.47838 0.48955 1.0000 + Fe Fe642 1.0 0.95113 0.52005 0.48955 1.0000 + Fe Fe643 1.0 0.99279 0.56171 0.48955 1.0000 + Fe Fe644 1.0 0.03446 0.60338 0.48955 1.0000 + Fe Fe645 1.0 0.07613 0.64505 0.48955 1.0000 + Fe Fe646 1.0 0.11779 0.68671 0.48955 1.0000 + Fe Fe647 1.0 0.15946 0.72838 0.48955 1.0000 + Fe Fe648 1.0 0.20113 0.77005 0.48955 1.0000 + Fe Fe649 1.0 0.78446 0.27005 0.48955 1.0000 + Fe Fe650 1.0 0.82613 0.31171 0.48955 1.0000 + Fe Fe651 1.0 0.86779 0.35338 0.48955 1.0000 + Fe Fe652 1.0 0.90946 0.39505 0.48955 1.0000 + Fe Fe653 1.0 0.95113 0.43671 0.48955 1.0000 + Fe Fe654 1.0 0.99279 0.47838 0.48955 1.0000 + Fe Fe655 1.0 0.03446 0.52005 0.48955 1.0000 + Fe Fe656 1.0 0.07613 0.56171 0.48955 1.0000 + Fe Fe657 1.0 0.11779 0.60338 0.48955 1.0000 + Fe Fe658 1.0 0.15946 0.64505 0.48955 1.0000 + Fe Fe659 1.0 0.20113 0.68671 0.48955 1.0000 + Fe Fe660 1.0 0.24279 0.72838 0.48955 1.0000 + Fe Fe661 1.0 0.82613 0.22838 0.48955 1.0000 + Fe Fe662 1.0 0.86779 0.27005 0.48955 1.0000 + Fe Fe663 1.0 0.90946 0.31171 0.48955 1.0000 + Fe Fe664 1.0 0.95113 0.35338 0.48955 1.0000 + Fe Fe665 1.0 0.99279 0.39505 0.48955 1.0000 + Fe Fe666 1.0 0.03446 0.43671 0.48955 1.0000 + Fe Fe667 1.0 0.07613 0.47838 0.48955 1.0000 + Fe Fe668 1.0 0.11779 0.52005 0.48955 1.0000 + Fe Fe669 1.0 0.15946 0.56171 0.48955 1.0000 + Fe Fe670 1.0 0.20113 0.60338 0.48955 1.0000 + Fe Fe671 1.0 0.24279 0.64505 0.48955 1.0000 + Fe Fe672 1.0 0.28446 0.68671 0.48955 1.0000 + Fe Fe673 1.0 0.86779 0.18671 0.48955 1.0000 + Fe Fe674 1.0 0.90946 0.22838 0.48955 1.0000 + Fe Fe675 1.0 0.95113 0.27005 0.48955 1.0000 + Fe Fe676 1.0 0.99279 0.31171 0.48955 1.0000 + Fe Fe677 1.0 0.03446 0.35338 0.48955 1.0000 + Fe Fe678 1.0 0.07613 0.39505 0.48955 1.0000 + Fe Fe679 1.0 0.11779 0.43671 0.48955 1.0000 + Fe Fe680 1.0 0.15946 0.47838 0.48955 1.0000 + Fe Fe681 1.0 0.20113 0.52005 0.48955 1.0000 + Fe Fe682 1.0 0.24279 0.56171 0.48955 1.0000 + Fe Fe683 1.0 0.28446 0.60338 0.48955 1.0000 + Fe Fe684 1.0 0.32613 0.64505 0.48955 1.0000 + Fe Fe685 1.0 0.90946 0.14505 0.48955 1.0000 + Fe Fe686 1.0 0.95113 0.18671 0.48955 1.0000 + Fe Fe687 1.0 0.99279 0.22838 0.48955 1.0000 + Fe Fe688 1.0 0.03446 0.27005 0.48955 1.0000 + Fe Fe689 1.0 0.07613 0.31171 0.48955 1.0000 + Fe Fe690 1.0 0.11779 0.35338 0.48955 1.0000 + Fe Fe691 1.0 0.15946 0.39505 0.48955 1.0000 + Fe Fe692 1.0 0.20113 0.43671 0.48955 1.0000 + Fe Fe693 1.0 0.24279 0.47838 0.48955 1.0000 + Fe Fe694 1.0 0.28446 0.52005 0.48955 1.0000 + Fe Fe695 1.0 0.32613 0.56171 0.48955 1.0000 + Fe Fe696 1.0 0.36779 0.60338 0.48955 1.0000 + Fe Fe697 1.0 0.95113 0.10338 0.48955 1.0000 + Fe Fe698 1.0 0.99279 0.14505 0.48955 1.0000 + Fe Fe699 1.0 0.03446 0.18671 0.48955 1.0000 + Fe Fe700 1.0 0.07613 0.22838 0.48955 1.0000 + Fe Fe701 1.0 0.11779 0.27005 0.48955 1.0000 + Fe Fe702 1.0 0.15946 0.31171 0.48955 1.0000 + Fe Fe703 1.0 0.20113 0.35338 0.48955 1.0000 + Fe Fe704 1.0 0.24279 0.39505 0.48955 1.0000 + Fe Fe705 1.0 0.28446 0.43671 0.48955 1.0000 + Fe Fe706 1.0 0.32613 0.47838 0.48955 1.0000 + Fe Fe707 1.0 0.36779 0.52005 0.48955 1.0000 + Fe Fe708 1.0 0.40946 0.56171 0.48955 1.0000 + Fe Fe709 1.0 0.99279 0.06171 0.48955 1.0000 + Fe Fe710 1.0 0.03446 0.10338 0.48955 1.0000 + Fe Fe711 1.0 0.07613 0.14505 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0.57613 0.43829 0.48955 1.0000 + Fe Fe734 1.0 0.61779 0.47995 0.48955 1.0000 + Fe Fe735 1.0 0.65946 0.52162 0.48955 1.0000 + Fe Fe736 1.0 0.70113 0.56329 0.48955 1.0000 + Fe Fe737 1.0 0.74279 0.60495 0.48955 1.0000 + Fe Fe738 1.0 0.78446 0.64662 0.48955 1.0000 + Fe Fe739 1.0 0.82613 0.68829 0.48955 1.0000 + Fe Fe740 1.0 0.86779 0.72995 0.48955 1.0000 + Fe Fe741 1.0 0.90946 0.77162 0.48955 1.0000 + Fe Fe742 1.0 0.95113 0.81329 0.48955 1.0000 + Fe Fe743 1.0 0.99279 0.85495 0.48955 1.0000 + Fe Fe744 1.0 0.03446 0.89662 0.48955 1.0000 + Fe Fe745 1.0 0.61779 0.39662 0.48955 1.0000 + Fe Fe746 1.0 0.65946 0.43829 0.48955 1.0000 + Fe Fe747 1.0 0.70113 0.47995 0.48955 1.0000 + Fe Fe748 1.0 0.74279 0.52162 0.48955 1.0000 + Fe Fe749 1.0 0.78446 0.56329 0.48955 1.0000 + Fe Fe750 1.0 0.82613 0.60495 0.48955 1.0000 + Fe Fe751 1.0 0.86779 0.64662 0.48955 1.0000 + Fe Fe752 1.0 0.90946 0.68829 0.48955 1.0000 + Fe Fe753 1.0 0.95113 0.72995 0.48955 1.0000 + Fe Fe754 1.0 0.99279 0.77162 0.48955 1.0000 + Fe Fe755 1.0 0.03446 0.81329 0.48955 1.0000 + Fe Fe756 1.0 0.07613 0.85495 0.48955 1.0000 + Fe Fe757 1.0 0.65946 0.35495 0.48955 1.0000 + Fe Fe758 1.0 0.70113 0.39662 0.48955 1.0000 + Fe Fe759 1.0 0.74279 0.43829 0.48955 1.0000 + Fe Fe760 1.0 0.78446 0.47995 0.48955 1.0000 + Fe Fe761 1.0 0.82613 0.52162 0.48955 1.0000 + Fe Fe762 1.0 0.86779 0.56329 0.48955 1.0000 + Fe Fe763 1.0 0.90946 0.60495 0.48955 1.0000 + Fe Fe764 1.0 0.95113 0.64662 0.48955 1.0000 + Fe Fe765 1.0 0.99279 0.68829 0.48955 1.0000 + Fe Fe766 1.0 0.03446 0.72995 0.48955 1.0000 + Fe Fe767 1.0 0.07613 0.77162 0.48955 1.0000 + Fe Fe768 1.0 0.11779 0.81329 0.48955 1.0000 + Fe Fe769 1.0 0.70113 0.31329 0.48955 1.0000 + Fe Fe770 1.0 0.74279 0.35495 0.48955 1.0000 + Fe Fe771 1.0 0.78446 0.39662 0.48955 1.0000 + Fe Fe772 1.0 0.82613 0.43829 0.48955 1.0000 + Fe Fe773 1.0 0.86779 0.47995 0.48955 1.0000 + Fe Fe774 1.0 0.90946 0.52162 0.48955 1.0000 + Fe Fe775 1.0 0.95113 0.56329 0.48955 1.0000 + Fe Fe776 1.0 0.99279 0.60495 0.48955 1.0000 + Fe Fe777 1.0 0.03446 0.64662 0.48955 1.0000 + Fe Fe778 1.0 0.07613 0.68829 0.48955 1.0000 + Fe Fe779 1.0 0.11779 0.72995 0.48955 1.0000 + Fe Fe780 1.0 0.15946 0.77162 0.48955 1.0000 + Fe Fe781 1.0 0.74279 0.27162 0.48955 1.0000 + Fe Fe782 1.0 0.78446 0.31329 0.48955 1.0000 + Fe Fe783 1.0 0.82613 0.35495 0.48955 1.0000 + Fe Fe784 1.0 0.86779 0.39662 0.48955 1.0000 + Fe Fe785 1.0 0.90946 0.43829 0.48955 1.0000 + Fe Fe786 1.0 0.95113 0.47995 0.48955 1.0000 + Fe Fe787 1.0 0.99279 0.52162 0.48955 1.0000 + Fe Fe788 1.0 0.03446 0.56329 0.48955 1.0000 + Fe Fe789 1.0 0.07613 0.60495 0.48955 1.0000 + Fe Fe790 1.0 0.11779 0.64662 0.48955 1.0000 + Fe Fe791 1.0 0.15946 0.68829 0.48955 1.0000 + Fe Fe792 1.0 0.20113 0.72995 0.48955 1.0000 + Fe Fe793 1.0 0.78446 0.22995 0.48955 1.0000 + Fe Fe794 1.0 0.82613 0.27162 0.48955 1.0000 + Fe Fe795 1.0 0.86779 0.31329 0.48955 1.0000 + Fe Fe796 1.0 0.90946 0.35495 0.48955 1.0000 + Fe Fe797 1.0 0.95113 0.39662 0.48955 1.0000 + Fe Fe798 1.0 0.99279 0.43829 0.48955 1.0000 + Fe Fe799 1.0 0.03446 0.47995 0.48955 1.0000 + Fe Fe800 1.0 0.07613 0.52162 0.48955 1.0000 + Fe Fe801 1.0 0.11779 0.56329 0.48955 1.0000 + Fe Fe802 1.0 0.15946 0.60495 0.48955 1.0000 + Fe Fe803 1.0 0.20113 0.64662 0.48955 1.0000 + Fe Fe804 1.0 0.24279 0.68829 0.48955 1.0000 + Fe Fe805 1.0 0.82613 0.18829 0.48955 1.0000 + Fe Fe806 1.0 0.86779 0.22995 0.48955 1.0000 + Fe Fe807 1.0 0.90946 0.27162 0.48955 1.0000 + Fe Fe808 1.0 0.95113 0.31329 0.48955 1.0000 + Fe Fe809 1.0 0.99279 0.35495 0.48955 1.0000 + Fe Fe810 1.0 0.03446 0.39662 0.48955 1.0000 + Fe Fe811 1.0 0.07613 0.43829 0.48955 1.0000 + Fe Fe812 1.0 0.11779 0.47995 0.48955 1.0000 + Fe Fe813 1.0 0.15946 0.52162 0.48955 1.0000 + Fe Fe814 1.0 0.20113 0.56329 0.48955 1.0000 + Fe Fe815 1.0 0.24279 0.60495 0.48955 1.0000 + Fe Fe816 1.0 0.28446 0.64662 0.48955 1.0000 + Fe Fe817 1.0 0.86779 0.14662 0.48955 1.0000 + Fe Fe818 1.0 0.90946 0.18829 0.48955 1.0000 + Fe Fe819 1.0 0.95113 0.22995 0.48955 1.0000 + Fe Fe820 1.0 0.99279 0.27162 0.48955 1.0000 + Fe Fe821 1.0 0.03446 0.31329 0.48955 1.0000 + Fe Fe822 1.0 0.07613 0.35495 0.48955 1.0000 + Fe Fe823 1.0 0.11779 0.39662 0.48955 1.0000 + Fe Fe824 1.0 0.15946 0.43829 0.48955 1.0000 + Fe Fe825 1.0 0.20113 0.47995 0.48955 1.0000 + Fe Fe826 1.0 0.24279 0.52162 0.48955 1.0000 + Fe Fe827 1.0 0.28446 0.56329 0.48955 1.0000 + Fe Fe828 1.0 0.32613 0.60495 0.48955 1.0000 + Fe Fe829 1.0 0.90946 0.10495 0.48955 1.0000 + Fe Fe830 1.0 0.95113 0.14662 0.48955 1.0000 + Fe Fe831 1.0 0.99279 0.18829 0.48955 1.0000 + Fe Fe832 1.0 0.03446 0.22995 0.48955 1.0000 + Fe Fe833 1.0 0.07613 0.27162 0.48955 1.0000 + Fe Fe834 1.0 0.11779 0.31329 0.48955 1.0000 + Fe Fe835 1.0 0.15946 0.35495 0.48955 1.0000 + Fe Fe836 1.0 0.20113 0.39662 0.48955 1.0000 + Fe Fe837 1.0 0.24279 0.43829 0.48955 1.0000 + Fe Fe838 1.0 0.28446 0.47995 0.48955 1.0000 + Fe Fe839 1.0 0.32613 0.52162 0.48955 1.0000 + Fe Fe840 1.0 0.36779 0.56329 0.48955 1.0000 + Fe Fe841 1.0 0.95113 0.06329 0.48955 1.0000 + Fe Fe842 1.0 0.99279 0.10495 0.48955 1.0000 + Fe Fe843 1.0 0.03446 0.14662 0.48955 1.0000 + Fe Fe844 1.0 0.07613 0.18829 0.48955 1.0000 + Fe Fe845 1.0 0.11779 0.22995 0.48955 1.0000 + Fe Fe846 1.0 0.15946 0.27162 0.48955 1.0000 + Fe Fe847 1.0 0.20113 0.31329 0.48955 1.0000 + Fe Fe848 1.0 0.24279 0.35495 0.48955 1.0000 + Fe Fe849 1.0 0.28446 0.39662 0.48955 1.0000 + Fe Fe850 1.0 0.32613 0.43829 0.48955 1.0000 + Fe Fe851 1.0 0.36779 0.47995 0.48955 1.0000 + Fe Fe852 1.0 0.40946 0.52162 0.48955 1.0000 + Fe Fe853 1.0 0.99279 0.02162 0.48955 1.0000 + Fe Fe854 1.0 0.03446 0.06329 0.48955 1.0000 + Fe Fe855 1.0 0.07613 0.10495 0.48955 1.0000 + Fe Fe856 1.0 0.11779 0.14662 0.48955 1.0000 + Fe Fe857 1.0 0.15946 0.18829 0.48955 1.0000 + Fe Fe858 1.0 0.20113 0.22995 0.48955 1.0000 + Fe Fe859 1.0 0.24279 0.27162 0.48955 1.0000 + Fe Fe860 1.0 0.28446 0.31329 0.48955 1.0000 + Fe Fe861 1.0 0.32613 0.35495 0.48955 1.0000 + Fe Fe862 1.0 0.36779 0.39662 0.48955 1.0000 + Fe Fe863 1.0 0.40946 0.43829 0.48955 1.0000 + Fe Fe864 1.0 0.45113 0.47995 0.48955 1.0000 + O O145 1.0 0.52778 0.50000 0.33094 1.0000 + O O146 1.0 0.56944 0.54167 0.33094 1.0000 + O O147 1.0 0.61111 0.58333 0.33094 1.0000 + O O148 1.0 0.65278 0.62500 0.33094 1.0000 + O O149 1.0 0.69444 0.66667 0.33094 1.0000 + O O150 1.0 0.73611 0.70833 0.33094 1.0000 + O O151 1.0 0.77778 0.75000 0.33094 1.0000 + O O152 1.0 0.81944 0.79167 0.33094 1.0000 + O O153 1.0 0.86111 0.83333 0.33094 1.0000 + O O154 1.0 0.90278 0.87500 0.33094 1.0000 + O O155 1.0 0.94444 0.91667 0.33094 1.0000 + O O156 1.0 0.98611 0.95833 0.33094 1.0000 + O O157 1.0 0.56944 0.45833 0.33094 1.0000 + O O158 1.0 0.61111 0.50000 0.33094 1.0000 + O O159 1.0 0.65278 0.54167 0.33094 1.0000 + O O160 1.0 0.69444 0.58333 0.33094 1.0000 + O O161 1.0 0.73611 0.62500 0.33094 1.0000 + O O162 1.0 0.77778 0.66667 0.33094 1.0000 + O O163 1.0 0.81944 0.70833 0.33094 1.0000 + O O164 1.0 0.86111 0.75000 0.33094 1.0000 + O O165 1.0 0.90278 0.79167 0.33094 1.0000 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O O234 1.0 0.02778 0.41667 0.33094 1.0000 + O O235 1.0 0.06944 0.45833 0.33094 1.0000 + O O236 1.0 0.11111 0.50000 0.33094 1.0000 + O O237 1.0 0.15278 0.54167 0.33094 1.0000 + O O238 1.0 0.19444 0.58333 0.33094 1.0000 + O O239 1.0 0.23611 0.62500 0.33094 1.0000 + O O240 1.0 0.27778 0.66667 0.33094 1.0000 + O O241 1.0 0.86111 0.16667 0.33094 1.0000 + O O242 1.0 0.90278 0.20833 0.33094 1.0000 + O O243 1.0 0.94444 0.25000 0.33094 1.0000 + O O244 1.0 0.98611 0.29167 0.33094 1.0000 + O O245 1.0 0.02778 0.33333 0.33094 1.0000 + O O246 1.0 0.06944 0.37500 0.33094 1.0000 + O O247 1.0 0.11111 0.41667 0.33094 1.0000 + O O248 1.0 0.15278 0.45833 0.33094 1.0000 + O O249 1.0 0.19444 0.50000 0.33094 1.0000 + O O250 1.0 0.23611 0.54167 0.33094 1.0000 + O O251 1.0 0.27778 0.58333 0.33094 1.0000 + O O252 1.0 0.31944 0.62500 0.33094 1.0000 + O O253 1.0 0.90278 0.12500 0.33094 1.0000 + O O254 1.0 0.94444 0.16667 0.33094 1.0000 + O O255 1.0 0.98611 0.20833 0.33094 1.0000 + O O256 1.0 0.02778 0.25000 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0.31250 0.33973 1.0000 + O O1019 1.0 0.32292 0.34375 0.33973 1.0000 + O O1020 1.0 0.35417 0.37500 0.33973 1.0000 + O O1021 1.0 0.38542 0.40625 0.33973 1.0000 + O O1022 1.0 0.41667 0.43750 0.33973 1.0000 + O O1023 1.0 0.44792 0.46875 0.33973 1.0000 + O O1024 1.0 0.47917 0.50000 0.33973 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4305_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4305_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..74f4e96122a3544cc64b0a3e31f322af6f5ac17a --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4305_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Ag1024S512 +_chemical_formula_sum "Ag1024 S512" +_cell_length_a 92.4707 +_cell_length_b 92.5285 +_cell_length_c 6.66692 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Ag Ag1 1.0 0.03007 0.02468 0.50770 1.0000 + Ag Ag2 1.0 0.03007 0.08718 0.50770 1.0000 + Ag Ag3 1.0 0.03007 0.14968 0.50770 1.0000 + Ag Ag4 1.0 0.03007 0.21218 0.50770 1.0000 + Ag Ag5 1.0 0.03007 0.27468 0.50770 1.0000 + Ag Ag6 1.0 0.03007 0.33718 0.50770 1.0000 + Ag Ag7 1.0 0.03007 0.39968 0.50770 1.0000 + Ag Ag8 1.0 0.03007 0.46218 0.50770 1.0000 + Ag Ag9 1.0 0.03007 0.52468 0.50770 1.0000 + Ag Ag10 1.0 0.03007 0.58718 0.50770 1.0000 + Ag Ag11 1.0 0.03007 0.64968 0.50770 1.0000 + Ag Ag12 1.0 0.03007 0.71218 0.50770 1.0000 + Ag Ag13 1.0 0.03007 0.77468 0.50770 1.0000 + Ag Ag14 1.0 0.03007 0.83718 0.50770 1.0000 + Ag Ag15 1.0 0.03007 0.89968 0.50770 1.0000 + Ag Ag16 1.0 0.03007 0.96218 0.50770 1.0000 + Ag Ag17 1.0 0.09257 0.02468 0.50770 1.0000 + Ag Ag18 1.0 0.09257 0.08718 0.50770 1.0000 + Ag Ag19 1.0 0.09257 0.14968 0.50770 1.0000 + Ag Ag20 1.0 0.09257 0.21218 0.50770 1.0000 + Ag Ag21 1.0 0.09257 0.27468 0.50770 1.0000 + Ag Ag22 1.0 0.09257 0.33718 0.50770 1.0000 + Ag Ag23 1.0 0.09257 0.39968 0.50770 1.0000 + Ag Ag24 1.0 0.09257 0.46218 0.50770 1.0000 + Ag Ag25 1.0 0.09257 0.52468 0.50770 1.0000 + Ag Ag26 1.0 0.09257 0.58718 0.50770 1.0000 + Ag Ag27 1.0 0.09257 0.64968 0.50770 1.0000 + Ag Ag28 1.0 0.09257 0.71218 0.50770 1.0000 + Ag Ag29 1.0 0.09257 0.77468 0.50770 1.0000 + Ag Ag30 1.0 0.09257 0.83718 0.50770 1.0000 + Ag Ag31 1.0 0.09257 0.89968 0.50770 1.0000 + Ag Ag32 1.0 0.09257 0.96218 0.50770 1.0000 + Ag Ag33 1.0 0.15507 0.02468 0.50770 1.0000 + Ag Ag34 1.0 0.15507 0.08718 0.50770 1.0000 + Ag Ag35 1.0 0.15507 0.14968 0.50770 1.0000 + Ag Ag36 1.0 0.15507 0.21218 0.50770 1.0000 + Ag Ag37 1.0 0.15507 0.27468 0.50770 1.0000 + Ag Ag38 1.0 0.15507 0.33718 0.50770 1.0000 + Ag Ag39 1.0 0.15507 0.39968 0.50770 1.0000 + Ag Ag40 1.0 0.15507 0.46218 0.50770 1.0000 + Ag Ag41 1.0 0.15507 0.52468 0.50770 1.0000 + Ag Ag42 1.0 0.15507 0.58718 0.50770 1.0000 + Ag Ag43 1.0 0.15507 0.64968 0.50770 1.0000 + Ag Ag44 1.0 0.15507 0.71218 0.50770 1.0000 + Ag Ag45 1.0 0.15507 0.77468 0.50770 1.0000 + Ag Ag46 1.0 0.15507 0.83718 0.50770 1.0000 + Ag Ag47 1.0 0.15507 0.89968 0.50770 1.0000 + Ag Ag48 1.0 0.15507 0.96218 0.50770 1.0000 + Ag Ag49 1.0 0.21757 0.02468 0.50770 1.0000 + Ag Ag50 1.0 0.21757 0.08718 0.50770 1.0000 + Ag Ag51 1.0 0.21757 0.14968 0.50770 1.0000 + Ag Ag52 1.0 0.21757 0.21218 0.50770 1.0000 + Ag Ag53 1.0 0.21757 0.27468 0.50770 1.0000 + Ag Ag54 1.0 0.21757 0.33718 0.50770 1.0000 + Ag Ag55 1.0 0.21757 0.39968 0.50770 1.0000 + Ag Ag56 1.0 0.21757 0.46218 0.50770 1.0000 + Ag Ag57 1.0 0.21757 0.52468 0.50770 1.0000 + Ag Ag58 1.0 0.21757 0.58718 0.50770 1.0000 + Ag Ag59 1.0 0.21757 0.64968 0.50770 1.0000 + Ag Ag60 1.0 0.21757 0.71218 0.50770 1.0000 + Ag Ag61 1.0 0.21757 0.77468 0.50770 1.0000 + Ag Ag62 1.0 0.21757 0.83718 0.50770 1.0000 + Ag Ag63 1.0 0.21757 0.89968 0.50770 1.0000 + Ag Ag64 1.0 0.21757 0.96218 0.50770 1.0000 + Ag Ag65 1.0 0.28007 0.02468 0.50770 1.0000 + Ag Ag66 1.0 0.28007 0.08718 0.50770 1.0000 + Ag Ag67 1.0 0.28007 0.14968 0.50770 1.0000 + Ag Ag68 1.0 0.28007 0.21218 0.50770 1.0000 + Ag Ag69 1.0 0.28007 0.27468 0.50770 1.0000 + Ag Ag70 1.0 0.28007 0.33718 0.50770 1.0000 + Ag Ag71 1.0 0.28007 0.39968 0.50770 1.0000 + Ag Ag72 1.0 0.28007 0.46218 0.50770 1.0000 + Ag Ag73 1.0 0.28007 0.52468 0.50770 1.0000 + Ag Ag74 1.0 0.28007 0.58718 0.50770 1.0000 + Ag Ag75 1.0 0.28007 0.64968 0.50770 1.0000 + Ag Ag76 1.0 0.28007 0.71218 0.50770 1.0000 + Ag Ag77 1.0 0.28007 0.77468 0.50770 1.0000 + Ag Ag78 1.0 0.28007 0.83718 0.50770 1.0000 + Ag Ag79 1.0 0.28007 0.89968 0.50770 1.0000 + Ag Ag80 1.0 0.28007 0.96218 0.50770 1.0000 + Ag Ag81 1.0 0.34257 0.02468 0.50770 1.0000 + Ag Ag82 1.0 0.34257 0.08718 0.50770 1.0000 + Ag Ag83 1.0 0.34257 0.14968 0.50770 1.0000 + Ag Ag84 1.0 0.34257 0.21218 0.50770 1.0000 + Ag Ag85 1.0 0.34257 0.27468 0.50770 1.0000 + Ag Ag86 1.0 0.34257 0.33718 0.50770 1.0000 + Ag Ag87 1.0 0.34257 0.39968 0.50770 1.0000 + Ag Ag88 1.0 0.34257 0.46218 0.50770 1.0000 + Ag Ag89 1.0 0.34257 0.52468 0.50770 1.0000 + Ag Ag90 1.0 0.34257 0.58718 0.50770 1.0000 + Ag Ag91 1.0 0.34257 0.64968 0.50770 1.0000 + Ag Ag92 1.0 0.34257 0.71218 0.50770 1.0000 + Ag Ag93 1.0 0.34257 0.77468 0.50770 1.0000 + Ag Ag94 1.0 0.34257 0.83718 0.50770 1.0000 + Ag Ag95 1.0 0.34257 0.89968 0.50770 1.0000 + Ag Ag96 1.0 0.34257 0.96218 0.50770 1.0000 + Ag Ag97 1.0 0.40507 0.02468 0.50770 1.0000 + Ag Ag98 1.0 0.40507 0.08718 0.50770 1.0000 + Ag Ag99 1.0 0.40507 0.14968 0.50770 1.0000 + Ag Ag100 1.0 0.40507 0.21218 0.50770 1.0000 + Ag Ag101 1.0 0.40507 0.27468 0.50770 1.0000 + Ag Ag102 1.0 0.40507 0.33718 0.50770 1.0000 + Ag Ag103 1.0 0.40507 0.39968 0.50770 1.0000 + Ag Ag104 1.0 0.40507 0.46218 0.50770 1.0000 + Ag Ag105 1.0 0.40507 0.52468 0.50770 1.0000 + Ag Ag106 1.0 0.40507 0.58718 0.50770 1.0000 + Ag Ag107 1.0 0.40507 0.64968 0.50770 1.0000 + Ag Ag108 1.0 0.40507 0.71218 0.50770 1.0000 + Ag Ag109 1.0 0.40507 0.77468 0.50770 1.0000 + Ag Ag110 1.0 0.40507 0.83718 0.50770 1.0000 + Ag Ag111 1.0 0.40507 0.89968 0.50770 1.0000 + Ag Ag112 1.0 0.40507 0.96218 0.50770 1.0000 + Ag Ag113 1.0 0.46757 0.02468 0.50770 1.0000 + Ag Ag114 1.0 0.46757 0.08718 0.50770 1.0000 + Ag Ag115 1.0 0.46757 0.14968 0.50770 1.0000 + Ag Ag116 1.0 0.46757 0.21218 0.50770 1.0000 + Ag Ag117 1.0 0.46757 0.27468 0.50770 1.0000 + Ag Ag118 1.0 0.46757 0.33718 0.50770 1.0000 + Ag Ag119 1.0 0.46757 0.39968 0.50770 1.0000 + Ag Ag120 1.0 0.46757 0.46218 0.50770 1.0000 + Ag Ag121 1.0 0.46757 0.52468 0.50770 1.0000 + Ag Ag122 1.0 0.46757 0.58718 0.50770 1.0000 + Ag Ag123 1.0 0.46757 0.64968 0.50770 1.0000 + Ag Ag124 1.0 0.46757 0.71218 0.50770 1.0000 + Ag Ag125 1.0 0.46757 0.77468 0.50770 1.0000 + Ag Ag126 1.0 0.46757 0.83718 0.50770 1.0000 + Ag Ag127 1.0 0.46757 0.89968 0.50770 1.0000 + Ag Ag128 1.0 0.46757 0.96218 0.50770 1.0000 + Ag Ag129 1.0 0.53007 0.02468 0.50770 1.0000 + Ag Ag130 1.0 0.53007 0.08718 0.50770 1.0000 + Ag Ag131 1.0 0.53007 0.14968 0.50770 1.0000 + Ag Ag132 1.0 0.53007 0.21218 0.50770 1.0000 + Ag Ag133 1.0 0.53007 0.27468 0.50770 1.0000 + Ag Ag134 1.0 0.53007 0.33718 0.50770 1.0000 + Ag Ag135 1.0 0.53007 0.39968 0.50770 1.0000 + Ag Ag136 1.0 0.53007 0.46218 0.50770 1.0000 + Ag Ag137 1.0 0.53007 0.52468 0.50770 1.0000 + Ag Ag138 1.0 0.53007 0.58718 0.50770 1.0000 + Ag Ag139 1.0 0.53007 0.64968 0.50770 1.0000 + Ag Ag140 1.0 0.53007 0.71218 0.50770 1.0000 + Ag Ag141 1.0 0.53007 0.77468 0.50770 1.0000 + Ag Ag142 1.0 0.53007 0.83718 0.50770 1.0000 + Ag Ag143 1.0 0.53007 0.89968 0.50770 1.0000 + Ag Ag144 1.0 0.53007 0.96218 0.50770 1.0000 + Ag Ag145 1.0 0.59257 0.02468 0.50770 1.0000 + Ag Ag146 1.0 0.59257 0.08718 0.50770 1.0000 + Ag Ag147 1.0 0.59257 0.14968 0.50770 1.0000 + Ag Ag148 1.0 0.59257 0.21218 0.50770 1.0000 + Ag Ag149 1.0 0.59257 0.27468 0.50770 1.0000 + Ag Ag150 1.0 0.59257 0.33718 0.50770 1.0000 + Ag Ag151 1.0 0.59257 0.39968 0.50770 1.0000 + Ag Ag152 1.0 0.59257 0.46218 0.50770 1.0000 + Ag Ag153 1.0 0.59257 0.52468 0.50770 1.0000 + Ag Ag154 1.0 0.59257 0.58718 0.50770 1.0000 + Ag Ag155 1.0 0.59257 0.64968 0.50770 1.0000 + Ag Ag156 1.0 0.59257 0.71218 0.50770 1.0000 + Ag Ag157 1.0 0.59257 0.77468 0.50770 1.0000 + Ag Ag158 1.0 0.59257 0.83718 0.50770 1.0000 + Ag Ag159 1.0 0.59257 0.89968 0.50770 1.0000 + Ag Ag160 1.0 0.59257 0.96218 0.50770 1.0000 + Ag Ag161 1.0 0.65507 0.02468 0.50770 1.0000 + Ag Ag162 1.0 0.65507 0.08718 0.50770 1.0000 + Ag Ag163 1.0 0.65507 0.14968 0.50770 1.0000 + Ag Ag164 1.0 0.65507 0.21218 0.50770 1.0000 + Ag Ag165 1.0 0.65507 0.27468 0.50770 1.0000 + Ag Ag166 1.0 0.65507 0.33718 0.50770 1.0000 + Ag Ag167 1.0 0.65507 0.39968 0.50770 1.0000 + Ag Ag168 1.0 0.65507 0.46218 0.50770 1.0000 + Ag Ag169 1.0 0.65507 0.52468 0.50770 1.0000 + Ag Ag170 1.0 0.65507 0.58718 0.50770 1.0000 + Ag Ag171 1.0 0.65507 0.64968 0.50770 1.0000 + Ag Ag172 1.0 0.65507 0.71218 0.50770 1.0000 + Ag Ag173 1.0 0.65507 0.77468 0.50770 1.0000 + Ag Ag174 1.0 0.65507 0.83718 0.50770 1.0000 + Ag Ag175 1.0 0.65507 0.89968 0.50770 1.0000 + Ag Ag176 1.0 0.65507 0.96218 0.50770 1.0000 + Ag Ag177 1.0 0.71757 0.02468 0.50770 1.0000 + Ag Ag178 1.0 0.71757 0.08718 0.50770 1.0000 + Ag Ag179 1.0 0.71757 0.14968 0.50770 1.0000 + Ag Ag180 1.0 0.71757 0.21218 0.50770 1.0000 + Ag Ag181 1.0 0.71757 0.27468 0.50770 1.0000 + Ag Ag182 1.0 0.71757 0.33718 0.50770 1.0000 + Ag Ag183 1.0 0.71757 0.39968 0.50770 1.0000 + Ag Ag184 1.0 0.71757 0.46218 0.50770 1.0000 + Ag Ag185 1.0 0.71757 0.52468 0.50770 1.0000 + Ag Ag186 1.0 0.71757 0.58718 0.50770 1.0000 + Ag Ag187 1.0 0.71757 0.64968 0.50770 1.0000 + Ag Ag188 1.0 0.71757 0.71218 0.50770 1.0000 + Ag Ag189 1.0 0.71757 0.77468 0.50770 1.0000 + Ag Ag190 1.0 0.71757 0.83718 0.50770 1.0000 + Ag Ag191 1.0 0.71757 0.89968 0.50770 1.0000 + Ag Ag192 1.0 0.71757 0.96218 0.50770 1.0000 + Ag Ag193 1.0 0.78007 0.02468 0.50770 1.0000 + Ag Ag194 1.0 0.78007 0.08718 0.50770 1.0000 + Ag Ag195 1.0 0.78007 0.14968 0.50770 1.0000 + Ag Ag196 1.0 0.78007 0.21218 0.50770 1.0000 + Ag Ag197 1.0 0.78007 0.27468 0.50770 1.0000 + Ag Ag198 1.0 0.78007 0.33718 0.50770 1.0000 + Ag Ag199 1.0 0.78007 0.39968 0.50770 1.0000 + Ag Ag200 1.0 0.78007 0.46218 0.50770 1.0000 + Ag Ag201 1.0 0.78007 0.52468 0.50770 1.0000 + Ag Ag202 1.0 0.78007 0.58718 0.50770 1.0000 + Ag Ag203 1.0 0.78007 0.64968 0.50770 1.0000 + Ag Ag204 1.0 0.78007 0.71218 0.50770 1.0000 + Ag Ag205 1.0 0.78007 0.77468 0.50770 1.0000 + Ag Ag206 1.0 0.78007 0.83718 0.50770 1.0000 + Ag Ag207 1.0 0.78007 0.89968 0.50770 1.0000 + Ag Ag208 1.0 0.78007 0.96218 0.50770 1.0000 + Ag Ag209 1.0 0.84257 0.02468 0.50770 1.0000 + Ag Ag210 1.0 0.84257 0.08718 0.50770 1.0000 + Ag Ag211 1.0 0.84257 0.14968 0.50770 1.0000 + Ag Ag212 1.0 0.84257 0.21218 0.50770 1.0000 + Ag Ag213 1.0 0.84257 0.27468 0.50770 1.0000 + Ag Ag214 1.0 0.84257 0.33718 0.50770 1.0000 + Ag Ag215 1.0 0.84257 0.39968 0.50770 1.0000 + Ag Ag216 1.0 0.84257 0.46218 0.50770 1.0000 + Ag Ag217 1.0 0.84257 0.52468 0.50770 1.0000 + Ag Ag218 1.0 0.84257 0.58718 0.50770 1.0000 + Ag Ag219 1.0 0.84257 0.64968 0.50770 1.0000 + Ag Ag220 1.0 0.84257 0.71218 0.50770 1.0000 + Ag Ag221 1.0 0.84257 0.77468 0.50770 1.0000 + Ag Ag222 1.0 0.84257 0.83718 0.50770 1.0000 + Ag Ag223 1.0 0.84257 0.89968 0.50770 1.0000 + Ag Ag224 1.0 0.84257 0.96218 0.50770 1.0000 + Ag Ag225 1.0 0.90507 0.02468 0.50770 1.0000 + Ag Ag226 1.0 0.90507 0.08718 0.50770 1.0000 + Ag Ag227 1.0 0.90507 0.14968 0.50770 1.0000 + Ag Ag228 1.0 0.90507 0.21218 0.50770 1.0000 + Ag Ag229 1.0 0.90507 0.27468 0.50770 1.0000 + Ag Ag230 1.0 0.90507 0.33718 0.50770 1.0000 + Ag Ag231 1.0 0.90507 0.39968 0.50770 1.0000 + Ag Ag232 1.0 0.90507 0.46218 0.50770 1.0000 + Ag Ag233 1.0 0.90507 0.52468 0.50770 1.0000 + Ag Ag234 1.0 0.90507 0.58718 0.50770 1.0000 + Ag Ag235 1.0 0.90507 0.64968 0.50770 1.0000 + Ag Ag236 1.0 0.90507 0.71218 0.50770 1.0000 + Ag Ag237 1.0 0.90507 0.77468 0.50770 1.0000 + Ag Ag238 1.0 0.90507 0.83718 0.50770 1.0000 + Ag Ag239 1.0 0.90507 0.89968 0.50770 1.0000 + Ag Ag240 1.0 0.90507 0.96218 0.50770 1.0000 + Ag Ag241 1.0 0.96757 0.02468 0.50770 1.0000 + Ag Ag242 1.0 0.96757 0.08718 0.50770 1.0000 + Ag Ag243 1.0 0.96757 0.14968 0.50770 1.0000 + Ag Ag244 1.0 0.96757 0.21218 0.50770 1.0000 + Ag Ag245 1.0 0.96757 0.27468 0.50770 1.0000 + Ag Ag246 1.0 0.96757 0.33718 0.50770 1.0000 + Ag Ag247 1.0 0.96757 0.39968 0.50770 1.0000 + Ag Ag248 1.0 0.96757 0.46218 0.50770 1.0000 + Ag Ag249 1.0 0.96757 0.52468 0.50770 1.0000 + Ag Ag250 1.0 0.96757 0.58718 0.50770 1.0000 + Ag Ag251 1.0 0.96757 0.64968 0.50770 1.0000 + Ag Ag252 1.0 0.96757 0.71218 0.50770 1.0000 + Ag Ag253 1.0 0.96757 0.77468 0.50770 1.0000 + Ag Ag254 1.0 0.96757 0.83718 0.50770 1.0000 + Ag Ag255 1.0 0.96757 0.89968 0.50770 1.0000 + Ag Ag256 1.0 0.96757 0.96218 0.50770 1.0000 + Ag Ag257 1.0 0.06132 0.02274 0.49230 1.0000 + Ag Ag258 1.0 0.06132 0.08524 0.49230 1.0000 + Ag Ag259 1.0 0.06132 0.14774 0.49230 1.0000 + Ag Ag260 1.0 0.06132 0.21024 0.49230 1.0000 + Ag Ag261 1.0 0.06132 0.27274 0.49230 1.0000 + Ag Ag262 1.0 0.06132 0.33524 0.49230 1.0000 + Ag Ag263 1.0 0.06132 0.39774 0.49230 1.0000 + Ag Ag264 1.0 0.06132 0.46024 0.49230 1.0000 + Ag Ag265 1.0 0.06132 0.52274 0.49230 1.0000 + Ag Ag266 1.0 0.06132 0.58524 0.49230 1.0000 + Ag Ag267 1.0 0.06132 0.64774 0.49230 1.0000 + Ag Ag268 1.0 0.06132 0.71024 0.49230 1.0000 + Ag Ag269 1.0 0.06132 0.77274 0.49230 1.0000 + Ag Ag270 1.0 0.06132 0.83524 0.49230 1.0000 + Ag Ag271 1.0 0.06132 0.89774 0.49230 1.0000 + Ag Ag272 1.0 0.06132 0.96024 0.49230 1.0000 + Ag Ag273 1.0 0.12382 0.02274 0.49230 1.0000 + Ag Ag274 1.0 0.12382 0.08524 0.49230 1.0000 + Ag Ag275 1.0 0.12382 0.14774 0.49230 1.0000 + Ag Ag276 1.0 0.12382 0.21024 0.49230 1.0000 + Ag Ag277 1.0 0.12382 0.27274 0.49230 1.0000 + Ag Ag278 1.0 0.12382 0.33524 0.49230 1.0000 + Ag Ag279 1.0 0.12382 0.39774 0.49230 1.0000 + Ag Ag280 1.0 0.12382 0.46024 0.49230 1.0000 + Ag Ag281 1.0 0.12382 0.52274 0.49230 1.0000 + Ag Ag282 1.0 0.12382 0.58524 0.49230 1.0000 + Ag Ag283 1.0 0.12382 0.64774 0.49230 1.0000 + Ag Ag284 1.0 0.12382 0.71024 0.49230 1.0000 + Ag Ag285 1.0 0.12382 0.77274 0.49230 1.0000 + Ag Ag286 1.0 0.12382 0.83524 0.49230 1.0000 + Ag Ag287 1.0 0.12382 0.89774 0.49230 1.0000 + Ag Ag288 1.0 0.12382 0.96024 0.49230 1.0000 + Ag Ag289 1.0 0.18632 0.02274 0.49230 1.0000 + Ag Ag290 1.0 0.18632 0.08524 0.49230 1.0000 + Ag Ag291 1.0 0.18632 0.14774 0.49230 1.0000 + Ag Ag292 1.0 0.18632 0.21024 0.49230 1.0000 + Ag Ag293 1.0 0.18632 0.27274 0.49230 1.0000 + Ag Ag294 1.0 0.18632 0.33524 0.49230 1.0000 + Ag Ag295 1.0 0.18632 0.39774 0.49230 1.0000 + Ag Ag296 1.0 0.18632 0.46024 0.49230 1.0000 + Ag Ag297 1.0 0.18632 0.52274 0.49230 1.0000 + Ag Ag298 1.0 0.18632 0.58524 0.49230 1.0000 + Ag Ag299 1.0 0.18632 0.64774 0.49230 1.0000 + Ag Ag300 1.0 0.18632 0.71024 0.49230 1.0000 + Ag Ag301 1.0 0.18632 0.77274 0.49230 1.0000 + Ag Ag302 1.0 0.18632 0.83524 0.49230 1.0000 + Ag Ag303 1.0 0.18632 0.89774 0.49230 1.0000 + Ag Ag304 1.0 0.18632 0.96024 0.49230 1.0000 + Ag Ag305 1.0 0.24882 0.02274 0.49230 1.0000 + Ag Ag306 1.0 0.24882 0.08524 0.49230 1.0000 + Ag Ag307 1.0 0.24882 0.14774 0.49230 1.0000 + Ag Ag308 1.0 0.24882 0.21024 0.49230 1.0000 + Ag Ag309 1.0 0.24882 0.27274 0.49230 1.0000 + Ag Ag310 1.0 0.24882 0.33524 0.49230 1.0000 + Ag Ag311 1.0 0.24882 0.39774 0.49230 1.0000 + Ag Ag312 1.0 0.24882 0.46024 0.49230 1.0000 + Ag Ag313 1.0 0.24882 0.52274 0.49230 1.0000 + Ag Ag314 1.0 0.24882 0.58524 0.49230 1.0000 + Ag Ag315 1.0 0.24882 0.64774 0.49230 1.0000 + Ag Ag316 1.0 0.24882 0.71024 0.49230 1.0000 + Ag Ag317 1.0 0.24882 0.77274 0.49230 1.0000 + Ag Ag318 1.0 0.24882 0.83524 0.49230 1.0000 + Ag Ag319 1.0 0.24882 0.89774 0.49230 1.0000 + Ag Ag320 1.0 0.24882 0.96024 0.49230 1.0000 + Ag Ag321 1.0 0.31132 0.02274 0.49230 1.0000 + Ag Ag322 1.0 0.31132 0.08524 0.49230 1.0000 + Ag Ag323 1.0 0.31132 0.14774 0.49230 1.0000 + Ag Ag324 1.0 0.31132 0.21024 0.49230 1.0000 + Ag Ag325 1.0 0.31132 0.27274 0.49230 1.0000 + Ag Ag326 1.0 0.31132 0.33524 0.49230 1.0000 + Ag Ag327 1.0 0.31132 0.39774 0.49230 1.0000 + Ag Ag328 1.0 0.31132 0.46024 0.49230 1.0000 + Ag Ag329 1.0 0.31132 0.52274 0.49230 1.0000 + Ag Ag330 1.0 0.31132 0.58524 0.49230 1.0000 + Ag Ag331 1.0 0.31132 0.64774 0.49230 1.0000 + Ag Ag332 1.0 0.31132 0.71024 0.49230 1.0000 + Ag Ag333 1.0 0.31132 0.77274 0.49230 1.0000 + Ag Ag334 1.0 0.31132 0.83524 0.49230 1.0000 + Ag Ag335 1.0 0.31132 0.89774 0.49230 1.0000 + Ag Ag336 1.0 0.31132 0.96024 0.49230 1.0000 + Ag Ag337 1.0 0.37382 0.02274 0.49230 1.0000 + Ag Ag338 1.0 0.37382 0.08524 0.49230 1.0000 + Ag Ag339 1.0 0.37382 0.14774 0.49230 1.0000 + Ag Ag340 1.0 0.37382 0.21024 0.49230 1.0000 + Ag Ag341 1.0 0.37382 0.27274 0.49230 1.0000 + Ag Ag342 1.0 0.37382 0.33524 0.49230 1.0000 + Ag Ag343 1.0 0.37382 0.39774 0.49230 1.0000 + Ag Ag344 1.0 0.37382 0.46024 0.49230 1.0000 + Ag Ag345 1.0 0.37382 0.52274 0.49230 1.0000 + Ag Ag346 1.0 0.37382 0.58524 0.49230 1.0000 + Ag Ag347 1.0 0.37382 0.64774 0.49230 1.0000 + Ag Ag348 1.0 0.37382 0.71024 0.49230 1.0000 + Ag Ag349 1.0 0.37382 0.77274 0.49230 1.0000 + Ag Ag350 1.0 0.37382 0.83524 0.49230 1.0000 + Ag Ag351 1.0 0.37382 0.89774 0.49230 1.0000 + Ag Ag352 1.0 0.37382 0.96024 0.49230 1.0000 + Ag Ag353 1.0 0.43632 0.02274 0.49230 1.0000 + Ag Ag354 1.0 0.43632 0.08524 0.49230 1.0000 + Ag Ag355 1.0 0.43632 0.14774 0.49230 1.0000 + Ag Ag356 1.0 0.43632 0.21024 0.49230 1.0000 + Ag Ag357 1.0 0.43632 0.27274 0.49230 1.0000 + Ag Ag358 1.0 0.43632 0.33524 0.49230 1.0000 + Ag Ag359 1.0 0.43632 0.39774 0.49230 1.0000 + Ag Ag360 1.0 0.43632 0.46024 0.49230 1.0000 + Ag Ag361 1.0 0.43632 0.52274 0.49230 1.0000 + Ag Ag362 1.0 0.43632 0.58524 0.49230 1.0000 + Ag Ag363 1.0 0.43632 0.64774 0.49230 1.0000 + Ag Ag364 1.0 0.43632 0.71024 0.49230 1.0000 + Ag Ag365 1.0 0.43632 0.77274 0.49230 1.0000 + Ag Ag366 1.0 0.43632 0.83524 0.49230 1.0000 + Ag Ag367 1.0 0.43632 0.89774 0.49230 1.0000 + Ag Ag368 1.0 0.43632 0.96024 0.49230 1.0000 + Ag Ag369 1.0 0.49882 0.02274 0.49230 1.0000 + Ag Ag370 1.0 0.49882 0.08524 0.49230 1.0000 + Ag Ag371 1.0 0.49882 0.14774 0.49230 1.0000 + Ag Ag372 1.0 0.49882 0.21024 0.49230 1.0000 + Ag Ag373 1.0 0.49882 0.27274 0.49230 1.0000 + Ag Ag374 1.0 0.49882 0.33524 0.49230 1.0000 + Ag Ag375 1.0 0.49882 0.39774 0.49230 1.0000 + Ag Ag376 1.0 0.49882 0.46024 0.49230 1.0000 + Ag Ag377 1.0 0.49882 0.52274 0.49230 1.0000 + Ag Ag378 1.0 0.49882 0.58524 0.49230 1.0000 + Ag Ag379 1.0 0.49882 0.64774 0.49230 1.0000 + Ag Ag380 1.0 0.49882 0.71024 0.49230 1.0000 + Ag Ag381 1.0 0.49882 0.77274 0.49230 1.0000 + Ag Ag382 1.0 0.49882 0.83524 0.49230 1.0000 + Ag Ag383 1.0 0.49882 0.89774 0.49230 1.0000 + Ag Ag384 1.0 0.49882 0.96024 0.49230 1.0000 + Ag Ag385 1.0 0.56132 0.02274 0.49230 1.0000 + Ag Ag386 1.0 0.56132 0.08524 0.49230 1.0000 + Ag Ag387 1.0 0.56132 0.14774 0.49230 1.0000 + Ag Ag388 1.0 0.56132 0.21024 0.49230 1.0000 + Ag Ag389 1.0 0.56132 0.27274 0.49230 1.0000 + Ag Ag390 1.0 0.56132 0.33524 0.49230 1.0000 + Ag Ag391 1.0 0.56132 0.39774 0.49230 1.0000 + Ag Ag392 1.0 0.56132 0.46024 0.49230 1.0000 + Ag Ag393 1.0 0.56132 0.52274 0.49230 1.0000 + Ag Ag394 1.0 0.56132 0.58524 0.49230 1.0000 + Ag Ag395 1.0 0.56132 0.64774 0.49230 1.0000 + Ag Ag396 1.0 0.56132 0.71024 0.49230 1.0000 + Ag Ag397 1.0 0.56132 0.77274 0.49230 1.0000 + Ag Ag398 1.0 0.56132 0.83524 0.49230 1.0000 + Ag Ag399 1.0 0.56132 0.89774 0.49230 1.0000 + Ag Ag400 1.0 0.56132 0.96024 0.49230 1.0000 + Ag Ag401 1.0 0.62382 0.02274 0.49230 1.0000 + Ag Ag402 1.0 0.62382 0.08524 0.49230 1.0000 + Ag Ag403 1.0 0.62382 0.14774 0.49230 1.0000 + Ag Ag404 1.0 0.62382 0.21024 0.49230 1.0000 + Ag Ag405 1.0 0.62382 0.27274 0.49230 1.0000 + Ag Ag406 1.0 0.62382 0.33524 0.49230 1.0000 + Ag Ag407 1.0 0.62382 0.39774 0.49230 1.0000 + Ag Ag408 1.0 0.62382 0.46024 0.49230 1.0000 + Ag Ag409 1.0 0.62382 0.52274 0.49230 1.0000 + Ag Ag410 1.0 0.62382 0.58524 0.49230 1.0000 + Ag Ag411 1.0 0.62382 0.64774 0.49230 1.0000 + Ag Ag412 1.0 0.62382 0.71024 0.49230 1.0000 + Ag Ag413 1.0 0.62382 0.77274 0.49230 1.0000 + Ag Ag414 1.0 0.62382 0.83524 0.49230 1.0000 + Ag Ag415 1.0 0.62382 0.89774 0.49230 1.0000 + Ag Ag416 1.0 0.62382 0.96024 0.49230 1.0000 + Ag Ag417 1.0 0.68632 0.02274 0.49230 1.0000 + Ag Ag418 1.0 0.68632 0.08524 0.49230 1.0000 + Ag Ag419 1.0 0.68632 0.14774 0.49230 1.0000 + Ag Ag420 1.0 0.68632 0.21024 0.49230 1.0000 + Ag Ag421 1.0 0.68632 0.27274 0.49230 1.0000 + Ag Ag422 1.0 0.68632 0.33524 0.49230 1.0000 + Ag Ag423 1.0 0.68632 0.39774 0.49230 1.0000 + Ag Ag424 1.0 0.68632 0.46024 0.49230 1.0000 + Ag Ag425 1.0 0.68632 0.52274 0.49230 1.0000 + Ag Ag426 1.0 0.68632 0.58524 0.49230 1.0000 + Ag Ag427 1.0 0.68632 0.64774 0.49230 1.0000 + Ag Ag428 1.0 0.68632 0.71024 0.49230 1.0000 + Ag Ag429 1.0 0.68632 0.77274 0.49230 1.0000 + Ag Ag430 1.0 0.68632 0.83524 0.49230 1.0000 + Ag Ag431 1.0 0.68632 0.89774 0.49230 1.0000 + Ag Ag432 1.0 0.68632 0.96024 0.49230 1.0000 + Ag Ag433 1.0 0.74882 0.02274 0.49230 1.0000 + Ag Ag434 1.0 0.74882 0.08524 0.49230 1.0000 + Ag Ag435 1.0 0.74882 0.14774 0.49230 1.0000 + Ag Ag436 1.0 0.74882 0.21024 0.49230 1.0000 + Ag Ag437 1.0 0.74882 0.27274 0.49230 1.0000 + Ag Ag438 1.0 0.74882 0.33524 0.49230 1.0000 + Ag Ag439 1.0 0.74882 0.39774 0.49230 1.0000 + Ag Ag440 1.0 0.74882 0.46024 0.49230 1.0000 + Ag Ag441 1.0 0.74882 0.52274 0.49230 1.0000 + Ag Ag442 1.0 0.74882 0.58524 0.49230 1.0000 + Ag Ag443 1.0 0.74882 0.64774 0.49230 1.0000 + Ag Ag444 1.0 0.74882 0.71024 0.49230 1.0000 + Ag Ag445 1.0 0.74882 0.77274 0.49230 1.0000 + Ag Ag446 1.0 0.74882 0.83524 0.49230 1.0000 + Ag Ag447 1.0 0.74882 0.89774 0.49230 1.0000 + Ag Ag448 1.0 0.74882 0.96024 0.49230 1.0000 + Ag Ag449 1.0 0.81132 0.02274 0.49230 1.0000 + Ag Ag450 1.0 0.81132 0.08524 0.49230 1.0000 + Ag Ag451 1.0 0.81132 0.14774 0.49230 1.0000 + Ag Ag452 1.0 0.81132 0.21024 0.49230 1.0000 + Ag Ag453 1.0 0.81132 0.27274 0.49230 1.0000 + Ag Ag454 1.0 0.81132 0.33524 0.49230 1.0000 + Ag Ag455 1.0 0.81132 0.39774 0.49230 1.0000 + Ag Ag456 1.0 0.81132 0.46024 0.49230 1.0000 + Ag Ag457 1.0 0.81132 0.52274 0.49230 1.0000 + Ag Ag458 1.0 0.81132 0.58524 0.49230 1.0000 + Ag Ag459 1.0 0.81132 0.64774 0.49230 1.0000 + Ag Ag460 1.0 0.81132 0.71024 0.49230 1.0000 + Ag Ag461 1.0 0.81132 0.77274 0.49230 1.0000 + Ag Ag462 1.0 0.81132 0.83524 0.49230 1.0000 + Ag Ag463 1.0 0.81132 0.89774 0.49230 1.0000 + Ag Ag464 1.0 0.81132 0.96024 0.49230 1.0000 + Ag Ag465 1.0 0.87382 0.02274 0.49230 1.0000 + Ag Ag466 1.0 0.87382 0.08524 0.49230 1.0000 + Ag Ag467 1.0 0.87382 0.14774 0.49230 1.0000 + Ag Ag468 1.0 0.87382 0.21024 0.49230 1.0000 + Ag Ag469 1.0 0.87382 0.27274 0.49230 1.0000 + Ag Ag470 1.0 0.87382 0.33524 0.49230 1.0000 + Ag Ag471 1.0 0.87382 0.39774 0.49230 1.0000 + Ag Ag472 1.0 0.87382 0.46024 0.49230 1.0000 + Ag Ag473 1.0 0.87382 0.52274 0.49230 1.0000 + Ag Ag474 1.0 0.87382 0.58524 0.49230 1.0000 + Ag Ag475 1.0 0.87382 0.64774 0.49230 1.0000 + Ag Ag476 1.0 0.87382 0.71024 0.49230 1.0000 + Ag Ag477 1.0 0.87382 0.77274 0.49230 1.0000 + Ag Ag478 1.0 0.87382 0.83524 0.49230 1.0000 + Ag Ag479 1.0 0.87382 0.89774 0.49230 1.0000 + Ag Ag480 1.0 0.87382 0.96024 0.49230 1.0000 + Ag Ag481 1.0 0.93632 0.02274 0.49230 1.0000 + Ag Ag482 1.0 0.93632 0.08524 0.49230 1.0000 + Ag Ag483 1.0 0.93632 0.14774 0.49230 1.0000 + Ag Ag484 1.0 0.93632 0.21024 0.49230 1.0000 + Ag Ag485 1.0 0.93632 0.27274 0.49230 1.0000 + Ag Ag486 1.0 0.93632 0.33524 0.49230 1.0000 + Ag Ag487 1.0 0.93632 0.39774 0.49230 1.0000 + Ag Ag488 1.0 0.93632 0.46024 0.49230 1.0000 + Ag Ag489 1.0 0.93632 0.52274 0.49230 1.0000 + Ag Ag490 1.0 0.93632 0.58524 0.49230 1.0000 + Ag Ag491 1.0 0.93632 0.64774 0.49230 1.0000 + Ag Ag492 1.0 0.93632 0.71024 0.49230 1.0000 + Ag Ag493 1.0 0.93632 0.77274 0.49230 1.0000 + Ag Ag494 1.0 0.93632 0.83524 0.49230 1.0000 + Ag Ag495 1.0 0.93632 0.89774 0.49230 1.0000 + Ag Ag496 1.0 0.93632 0.96024 0.49230 1.0000 + Ag Ag497 1.0 0.99882 0.02274 0.49230 1.0000 + Ag Ag498 1.0 0.99882 0.08524 0.49230 1.0000 + Ag Ag499 1.0 0.99882 0.14774 0.49230 1.0000 + Ag Ag500 1.0 0.99882 0.21024 0.49230 1.0000 + Ag Ag501 1.0 0.99882 0.27274 0.49230 1.0000 + Ag Ag502 1.0 0.99882 0.33524 0.49230 1.0000 + Ag Ag503 1.0 0.99882 0.39774 0.49230 1.0000 + Ag Ag504 1.0 0.99882 0.46024 0.49230 1.0000 + Ag Ag505 1.0 0.99882 0.52274 0.49230 1.0000 + Ag Ag506 1.0 0.99882 0.58524 0.49230 1.0000 + Ag Ag507 1.0 0.99882 0.64774 0.49230 1.0000 + Ag Ag508 1.0 0.99882 0.71024 0.49230 1.0000 + Ag Ag509 1.0 0.99882 0.77274 0.49230 1.0000 + Ag Ag510 1.0 0.99882 0.83524 0.49230 1.0000 + Ag Ag511 1.0 0.99882 0.89774 0.49230 1.0000 + Ag Ag512 1.0 0.99882 0.96024 0.49230 1.0000 + Ag Ag513 1.0 0.03216 0.05595 0.50598 1.0000 + Ag Ag514 1.0 0.03216 0.11845 0.50598 1.0000 + Ag Ag515 1.0 0.03216 0.18095 0.50598 1.0000 + Ag Ag516 1.0 0.03216 0.24345 0.50598 1.0000 + Ag Ag517 1.0 0.03216 0.30595 0.50598 1.0000 + Ag Ag518 1.0 0.03216 0.36845 0.50598 1.0000 + Ag Ag519 1.0 0.03216 0.43095 0.50598 1.0000 + Ag Ag520 1.0 0.03216 0.49345 0.50598 1.0000 + Ag Ag521 1.0 0.03216 0.55595 0.50598 1.0000 + Ag Ag522 1.0 0.03216 0.61845 0.50598 1.0000 + Ag Ag523 1.0 0.03216 0.68095 0.50598 1.0000 + Ag Ag524 1.0 0.03216 0.74345 0.50598 1.0000 + Ag Ag525 1.0 0.03216 0.80595 0.50598 1.0000 + Ag Ag526 1.0 0.03216 0.86845 0.50598 1.0000 + Ag Ag527 1.0 0.03216 0.93095 0.50598 1.0000 + Ag Ag528 1.0 0.03216 0.99345 0.50598 1.0000 + Ag Ag529 1.0 0.09466 0.05595 0.50598 1.0000 + Ag Ag530 1.0 0.09466 0.11845 0.50598 1.0000 + Ag Ag531 1.0 0.09466 0.18095 0.50598 1.0000 + Ag Ag532 1.0 0.09466 0.24345 0.50598 1.0000 + Ag Ag533 1.0 0.09466 0.30595 0.50598 1.0000 + Ag Ag534 1.0 0.09466 0.36845 0.50598 1.0000 + Ag Ag535 1.0 0.09466 0.43095 0.50598 1.0000 + Ag Ag536 1.0 0.09466 0.49345 0.50598 1.0000 + Ag Ag537 1.0 0.09466 0.55595 0.50598 1.0000 + Ag Ag538 1.0 0.09466 0.61845 0.50598 1.0000 + Ag Ag539 1.0 0.09466 0.68095 0.50598 1.0000 + Ag Ag540 1.0 0.09466 0.74345 0.50598 1.0000 + Ag Ag541 1.0 0.09466 0.80595 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1.0000 + Au Au26 1.0 0.09375 0.56250 0.50000 1.0000 + Au Au27 1.0 0.09375 0.62500 0.50000 1.0000 + Au Au28 1.0 0.09375 0.68750 0.50000 1.0000 + Au Au29 1.0 0.09375 0.75000 0.50000 1.0000 + Au Au30 1.0 0.09375 0.81250 0.50000 1.0000 + Au Au31 1.0 0.09375 0.87500 0.50000 1.0000 + Au Au32 1.0 0.09375 0.93750 0.50000 1.0000 + Au Au33 1.0 0.15625 0.00000 0.50000 1.0000 + Au Au34 1.0 0.15625 0.06250 0.50000 1.0000 + Au Au35 1.0 0.15625 0.12500 0.50000 1.0000 + Au Au36 1.0 0.15625 0.18750 0.50000 1.0000 + Au Au37 1.0 0.15625 0.25000 0.50000 1.0000 + Au Au38 1.0 0.15625 0.31250 0.50000 1.0000 + Au Au39 1.0 0.15625 0.37500 0.50000 1.0000 + Au Au40 1.0 0.15625 0.43750 0.50000 1.0000 + Au Au41 1.0 0.15625 0.50000 0.50000 1.0000 + Au Au42 1.0 0.15625 0.56250 0.50000 1.0000 + Au Au43 1.0 0.15625 0.62500 0.50000 1.0000 + Au Au44 1.0 0.15625 0.68750 0.50000 1.0000 + Au Au45 1.0 0.15625 0.75000 0.50000 1.0000 + Au Au46 1.0 0.15625 0.81250 0.50000 1.0000 + Au Au47 1.0 0.15625 0.87500 0.50000 1.0000 + Au Au48 1.0 0.15625 0.93750 0.50000 1.0000 + Au Au49 1.0 0.21875 0.00000 0.50000 1.0000 + Au Au50 1.0 0.21875 0.06250 0.50000 1.0000 + Au Au51 1.0 0.21875 0.12500 0.50000 1.0000 + Au Au52 1.0 0.21875 0.18750 0.50000 1.0000 + Au Au53 1.0 0.21875 0.25000 0.50000 1.0000 + Au Au54 1.0 0.21875 0.31250 0.50000 1.0000 + Au Au55 1.0 0.21875 0.37500 0.50000 1.0000 + Au Au56 1.0 0.21875 0.43750 0.50000 1.0000 + Au Au57 1.0 0.21875 0.50000 0.50000 1.0000 + Au Au58 1.0 0.21875 0.56250 0.50000 1.0000 + Au Au59 1.0 0.21875 0.62500 0.50000 1.0000 + Au Au60 1.0 0.21875 0.68750 0.50000 1.0000 + Au Au61 1.0 0.21875 0.75000 0.50000 1.0000 + Au Au62 1.0 0.21875 0.81250 0.50000 1.0000 + Au Au63 1.0 0.21875 0.87500 0.50000 1.0000 + Au Au64 1.0 0.21875 0.93750 0.50000 1.0000 + Au Au65 1.0 0.28125 0.00000 0.50000 1.0000 + Au Au66 1.0 0.28125 0.06250 0.50000 1.0000 + Au Au67 1.0 0.28125 0.12500 0.50000 1.0000 + Au Au68 1.0 0.28125 0.18750 0.50000 1.0000 + Au Au69 1.0 0.28125 0.25000 0.50000 1.0000 + Au Au70 1.0 0.28125 0.31250 0.50000 1.0000 + Au Au71 1.0 0.28125 0.37500 0.50000 1.0000 + Au Au72 1.0 0.28125 0.43750 0.50000 1.0000 + Au Au73 1.0 0.28125 0.50000 0.50000 1.0000 + Au Au74 1.0 0.28125 0.56250 0.50000 1.0000 + Au Au75 1.0 0.28125 0.62500 0.50000 1.0000 + Au Au76 1.0 0.28125 0.68750 0.50000 1.0000 + Au Au77 1.0 0.28125 0.75000 0.50000 1.0000 + Au Au78 1.0 0.28125 0.81250 0.50000 1.0000 + Au Au79 1.0 0.28125 0.87500 0.50000 1.0000 + Au Au80 1.0 0.28125 0.93750 0.50000 1.0000 + Au Au81 1.0 0.34375 0.00000 0.50000 1.0000 + Au Au82 1.0 0.34375 0.06250 0.50000 1.0000 + Au Au83 1.0 0.34375 0.12500 0.50000 1.0000 + Au Au84 1.0 0.34375 0.18750 0.50000 1.0000 + Au Au85 1.0 0.34375 0.25000 0.50000 1.0000 + Au Au86 1.0 0.34375 0.31250 0.50000 1.0000 + Au Au87 1.0 0.34375 0.37500 0.50000 1.0000 + Au Au88 1.0 0.34375 0.43750 0.50000 1.0000 + Au Au89 1.0 0.34375 0.50000 0.50000 1.0000 + Au Au90 1.0 0.34375 0.56250 0.50000 1.0000 + Au Au91 1.0 0.34375 0.62500 0.50000 1.0000 + Au Au92 1.0 0.34375 0.68750 0.50000 1.0000 + Au Au93 1.0 0.34375 0.75000 0.50000 1.0000 + Au Au94 1.0 0.34375 0.81250 0.50000 1.0000 + Au Au95 1.0 0.34375 0.87500 0.50000 1.0000 + Au Au96 1.0 0.34375 0.93750 0.50000 1.0000 + Au Au97 1.0 0.40625 0.00000 0.50000 1.0000 + Au Au98 1.0 0.40625 0.06250 0.50000 1.0000 + Au Au99 1.0 0.40625 0.12500 0.50000 1.0000 + Au Au100 1.0 0.40625 0.18750 0.50000 1.0000 + Au Au101 1.0 0.40625 0.25000 0.50000 1.0000 + Au Au102 1.0 0.40625 0.31250 0.50000 1.0000 + Au Au103 1.0 0.40625 0.37500 0.50000 1.0000 + Au Au104 1.0 0.40625 0.43750 0.50000 1.0000 + Au Au105 1.0 0.40625 0.50000 0.50000 1.0000 + Au Au106 1.0 0.40625 0.56250 0.50000 1.0000 + Au Au107 1.0 0.40625 0.62500 0.50000 1.0000 + Au Au108 1.0 0.40625 0.68750 0.50000 1.0000 + Au Au109 1.0 0.40625 0.75000 0.50000 1.0000 + Au Au110 1.0 0.40625 0.81250 0.50000 1.0000 + Au Au111 1.0 0.40625 0.87500 0.50000 1.0000 + Au Au112 1.0 0.40625 0.93750 0.50000 1.0000 + Au Au113 1.0 0.46875 0.00000 0.50000 1.0000 + Au Au114 1.0 0.46875 0.06250 0.50000 1.0000 + Au Au115 1.0 0.46875 0.12500 0.50000 1.0000 + Au Au116 1.0 0.46875 0.18750 0.50000 1.0000 + Au Au117 1.0 0.46875 0.25000 0.50000 1.0000 + Au Au118 1.0 0.46875 0.31250 0.50000 1.0000 + Au Au119 1.0 0.46875 0.37500 0.50000 1.0000 + Au Au120 1.0 0.46875 0.43750 0.50000 1.0000 + Au Au121 1.0 0.46875 0.50000 0.50000 1.0000 + Au Au122 1.0 0.46875 0.56250 0.50000 1.0000 + Au Au123 1.0 0.46875 0.62500 0.50000 1.0000 + Au Au124 1.0 0.46875 0.68750 0.50000 1.0000 + Au Au125 1.0 0.46875 0.75000 0.50000 1.0000 + Au Au126 1.0 0.46875 0.81250 0.50000 1.0000 + Au Au127 1.0 0.46875 0.87500 0.50000 1.0000 + Au Au128 1.0 0.46875 0.93750 0.50000 1.0000 + Au Au129 1.0 0.53125 0.00000 0.50000 1.0000 + Au Au130 1.0 0.53125 0.06250 0.50000 1.0000 + Au Au131 1.0 0.53125 0.12500 0.50000 1.0000 + Au Au132 1.0 0.53125 0.18750 0.50000 1.0000 + Au Au133 1.0 0.53125 0.25000 0.50000 1.0000 + Au Au134 1.0 0.53125 0.31250 0.50000 1.0000 + Au Au135 1.0 0.53125 0.37500 0.50000 1.0000 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0.50000 1.0000 + Au Au158 1.0 0.59375 0.81250 0.50000 1.0000 + Au Au159 1.0 0.59375 0.87500 0.50000 1.0000 + Au Au160 1.0 0.59375 0.93750 0.50000 1.0000 + Au Au161 1.0 0.65625 0.00000 0.50000 1.0000 + Au Au162 1.0 0.65625 0.06250 0.50000 1.0000 + Au Au163 1.0 0.65625 0.12500 0.50000 1.0000 + Au Au164 1.0 0.65625 0.18750 0.50000 1.0000 + Au Au165 1.0 0.65625 0.25000 0.50000 1.0000 + Au Au166 1.0 0.65625 0.31250 0.50000 1.0000 + Au Au167 1.0 0.65625 0.37500 0.50000 1.0000 + Au Au168 1.0 0.65625 0.43750 0.50000 1.0000 + Au Au169 1.0 0.65625 0.50000 0.50000 1.0000 + Au Au170 1.0 0.65625 0.56250 0.50000 1.0000 + Au Au171 1.0 0.65625 0.62500 0.50000 1.0000 + Au Au172 1.0 0.65625 0.68750 0.50000 1.0000 + Au Au173 1.0 0.65625 0.75000 0.50000 1.0000 + Au Au174 1.0 0.65625 0.81250 0.50000 1.0000 + Au Au175 1.0 0.65625 0.87500 0.50000 1.0000 + Au Au176 1.0 0.65625 0.93750 0.50000 1.0000 + Au Au177 1.0 0.71875 0.00000 0.50000 1.0000 + Au Au178 1.0 0.71875 0.06250 0.50000 1.0000 + Au Au179 1.0 0.71875 0.12500 0.50000 1.0000 + Au Au180 1.0 0.71875 0.18750 0.50000 1.0000 + Au Au181 1.0 0.71875 0.25000 0.50000 1.0000 + Au Au182 1.0 0.71875 0.31250 0.50000 1.0000 + Au Au183 1.0 0.71875 0.37500 0.50000 1.0000 + Au Au184 1.0 0.71875 0.43750 0.50000 1.0000 + Au Au185 1.0 0.71875 0.50000 0.50000 1.0000 + Au Au186 1.0 0.71875 0.56250 0.50000 1.0000 + Au Au187 1.0 0.71875 0.62500 0.50000 1.0000 + Au Au188 1.0 0.71875 0.68750 0.50000 1.0000 + Au Au189 1.0 0.71875 0.75000 0.50000 1.0000 + Au Au190 1.0 0.71875 0.81250 0.50000 1.0000 + Au Au191 1.0 0.71875 0.87500 0.50000 1.0000 + Au Au192 1.0 0.71875 0.93750 0.50000 1.0000 + Au Au193 1.0 0.78125 0.00000 0.50000 1.0000 + Au Au194 1.0 0.78125 0.06250 0.50000 1.0000 + Au Au195 1.0 0.78125 0.12500 0.50000 1.0000 + Au Au196 1.0 0.78125 0.18750 0.50000 1.0000 + Au Au197 1.0 0.78125 0.25000 0.50000 1.0000 + Au Au198 1.0 0.78125 0.31250 0.50000 1.0000 + Au Au199 1.0 0.78125 0.37500 0.50000 1.0000 + Au Au200 1.0 0.78125 0.43750 0.50000 1.0000 + Au Au201 1.0 0.78125 0.50000 0.50000 1.0000 + Au Au202 1.0 0.78125 0.56250 0.50000 1.0000 + Au Au203 1.0 0.78125 0.62500 0.50000 1.0000 + Au Au204 1.0 0.78125 0.68750 0.50000 1.0000 + Au Au205 1.0 0.78125 0.75000 0.50000 1.0000 + Au Au206 1.0 0.78125 0.81250 0.50000 1.0000 + Au Au207 1.0 0.78125 0.87500 0.50000 1.0000 + Au Au208 1.0 0.78125 0.93750 0.50000 1.0000 + Au Au209 1.0 0.84375 0.00000 0.50000 1.0000 + Au Au210 1.0 0.84375 0.06250 0.50000 1.0000 + Au Au211 1.0 0.84375 0.12500 0.50000 1.0000 + Au Au212 1.0 0.84375 0.18750 0.50000 1.0000 + Au Au213 1.0 0.84375 0.25000 0.50000 1.0000 + Au Au214 1.0 0.84375 0.31250 0.50000 1.0000 + Au Au215 1.0 0.84375 0.37500 0.50000 1.0000 + Au Au216 1.0 0.84375 0.43750 0.50000 1.0000 + Au Au217 1.0 0.84375 0.50000 0.50000 1.0000 + Au Au218 1.0 0.84375 0.56250 0.50000 1.0000 + Au Au219 1.0 0.84375 0.62500 0.50000 1.0000 + Au Au220 1.0 0.84375 0.68750 0.50000 1.0000 + Au Au221 1.0 0.84375 0.75000 0.50000 1.0000 + Au Au222 1.0 0.84375 0.81250 0.50000 1.0000 + Au Au223 1.0 0.84375 0.87500 0.50000 1.0000 + Au Au224 1.0 0.84375 0.93750 0.50000 1.0000 + Au Au225 1.0 0.90625 0.00000 0.50000 1.0000 + Au Au226 1.0 0.90625 0.06250 0.50000 1.0000 + Au Au227 1.0 0.90625 0.12500 0.50000 1.0000 + Au Au228 1.0 0.90625 0.18750 0.50000 1.0000 + Au Au229 1.0 0.90625 0.25000 0.50000 1.0000 + Au Au230 1.0 0.90625 0.31250 0.50000 1.0000 + Au Au231 1.0 0.90625 0.37500 0.50000 1.0000 + Au Au232 1.0 0.90625 0.43750 0.50000 1.0000 + Au Au233 1.0 0.90625 0.50000 0.50000 1.0000 + Au Au234 1.0 0.90625 0.56250 0.50000 1.0000 + Au Au235 1.0 0.90625 0.62500 0.50000 1.0000 + Au Au236 1.0 0.90625 0.68750 0.50000 1.0000 + Au Au237 1.0 0.90625 0.75000 0.50000 1.0000 + Au Au238 1.0 0.90625 0.81250 0.50000 1.0000 + Au Au239 1.0 0.90625 0.87500 0.50000 1.0000 + Au Au240 1.0 0.90625 0.93750 0.50000 1.0000 + Au Au241 1.0 0.96875 0.00000 0.50000 1.0000 + Au Au242 1.0 0.96875 0.06250 0.50000 1.0000 + Au Au243 1.0 0.96875 0.12500 0.50000 1.0000 + Au Au244 1.0 0.96875 0.18750 0.50000 1.0000 + Au Au245 1.0 0.96875 0.25000 0.50000 1.0000 + Au Au246 1.0 0.96875 0.31250 0.50000 1.0000 + Au Au247 1.0 0.96875 0.37500 0.50000 1.0000 + Au Au248 1.0 0.96875 0.43750 0.50000 1.0000 + Au Au249 1.0 0.96875 0.50000 0.50000 1.0000 + Au Au250 1.0 0.96875 0.56250 0.50000 1.0000 + Au Au251 1.0 0.96875 0.62500 0.50000 1.0000 + Au Au252 1.0 0.96875 0.68750 0.50000 1.0000 + Au Au253 1.0 0.96875 0.75000 0.50000 1.0000 + Au Au254 1.0 0.96875 0.81250 0.50000 1.0000 + Au Au255 1.0 0.96875 0.87500 0.50000 1.0000 + Au Au256 1.0 0.96875 0.93750 0.50000 1.0000 + O O1 1.0 0.00000 0.04610 0.60949 1.0000 + O O2 1.0 0.00000 0.10860 0.60949 1.0000 + O O3 1.0 0.00000 0.17110 0.60949 1.0000 + O O4 1.0 0.00000 0.23360 0.60949 1.0000 + O O5 1.0 0.00000 0.29610 0.60949 1.0000 + O O6 1.0 0.00000 0.35860 0.60949 1.0000 + O O7 1.0 0.00000 0.42110 0.60949 1.0000 + O O8 1.0 0.00000 0.48360 0.60949 1.0000 + O O9 1.0 0.00000 0.54610 0.60949 1.0000 + O O10 1.0 0.00000 0.60860 0.60949 1.0000 + O O11 1.0 0.00000 0.67110 0.60949 1.0000 + O O12 1.0 0.00000 0.73360 0.60949 1.0000 + O O13 1.0 0.00000 0.79610 0.60949 1.0000 + O O14 1.0 0.00000 0.85860 0.60949 1.0000 + O O15 1.0 0.00000 0.92110 0.60949 1.0000 + O O16 1.0 0.00000 0.98360 0.60949 1.0000 + O O17 1.0 0.06250 0.04610 0.60949 1.0000 + O O18 1.0 0.06250 0.10860 0.60949 1.0000 + O O19 1.0 0.06250 0.17110 0.60949 1.0000 + O O20 1.0 0.06250 0.23360 0.60949 1.0000 + O O21 1.0 0.06250 0.29610 0.60949 1.0000 + O O22 1.0 0.06250 0.35860 0.60949 1.0000 + O O23 1.0 0.06250 0.42110 0.60949 1.0000 + O O24 1.0 0.06250 0.48360 0.60949 1.0000 + O O25 1.0 0.06250 0.54610 0.60949 1.0000 + O O26 1.0 0.06250 0.60860 0.60949 1.0000 + O O27 1.0 0.06250 0.67110 0.60949 1.0000 + O O28 1.0 0.06250 0.73360 0.60949 1.0000 + O O29 1.0 0.06250 0.79610 0.60949 1.0000 + O O30 1.0 0.06250 0.85860 0.60949 1.0000 + O O31 1.0 0.06250 0.92110 0.60949 1.0000 + O O32 1.0 0.06250 0.98360 0.60949 1.0000 + O O33 1.0 0.12500 0.04610 0.60949 1.0000 + O 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0.56250 0.75000 0.50000 1.0000 + Cr Cr414 1.0 0.56250 0.81250 0.50000 1.0000 + Cr Cr415 1.0 0.56250 0.87500 0.50000 1.0000 + Cr Cr416 1.0 0.56250 0.93750 0.50000 1.0000 + Cr Cr417 1.0 0.62500 0.00000 0.50000 1.0000 + Cr Cr418 1.0 0.62500 0.06250 0.50000 1.0000 + Cr Cr419 1.0 0.62500 0.12500 0.50000 1.0000 + Cr Cr420 1.0 0.62500 0.18750 0.50000 1.0000 + Cr Cr421 1.0 0.62500 0.25000 0.50000 1.0000 + Cr Cr422 1.0 0.62500 0.31250 0.50000 1.0000 + Cr Cr423 1.0 0.62500 0.37500 0.50000 1.0000 + Cr Cr424 1.0 0.62500 0.43750 0.50000 1.0000 + Cr Cr425 1.0 0.62500 0.50000 0.50000 1.0000 + Cr Cr426 1.0 0.62500 0.56250 0.50000 1.0000 + Cr Cr427 1.0 0.62500 0.62500 0.50000 1.0000 + Cr Cr428 1.0 0.62500 0.68750 0.50000 1.0000 + Cr Cr429 1.0 0.62500 0.75000 0.50000 1.0000 + Cr Cr430 1.0 0.62500 0.81250 0.50000 1.0000 + Cr Cr431 1.0 0.62500 0.87500 0.50000 1.0000 + Cr Cr432 1.0 0.62500 0.93750 0.50000 1.0000 + Cr Cr433 1.0 0.68750 0.00000 0.50000 1.0000 + Cr Cr434 1.0 0.68750 0.06250 0.50000 1.0000 + Cr Cr435 1.0 0.68750 0.12500 0.50000 1.0000 + Cr Cr436 1.0 0.68750 0.18750 0.50000 1.0000 + Cr Cr437 1.0 0.68750 0.25000 0.50000 1.0000 + Cr Cr438 1.0 0.68750 0.31250 0.50000 1.0000 + Cr Cr439 1.0 0.68750 0.37500 0.50000 1.0000 + Cr Cr440 1.0 0.68750 0.43750 0.50000 1.0000 + Cr Cr441 1.0 0.68750 0.50000 0.50000 1.0000 + Cr Cr442 1.0 0.68750 0.56250 0.50000 1.0000 + Cr Cr443 1.0 0.68750 0.62500 0.50000 1.0000 + Cr Cr444 1.0 0.68750 0.68750 0.50000 1.0000 + Cr Cr445 1.0 0.68750 0.75000 0.50000 1.0000 + Cr Cr446 1.0 0.68750 0.81250 0.50000 1.0000 + Cr Cr447 1.0 0.68750 0.87500 0.50000 1.0000 + Cr Cr448 1.0 0.68750 0.93750 0.50000 1.0000 + Cr Cr449 1.0 0.75000 0.00000 0.50000 1.0000 + Cr Cr450 1.0 0.75000 0.06250 0.50000 1.0000 + Cr Cr451 1.0 0.75000 0.12500 0.50000 1.0000 + Cr Cr452 1.0 0.75000 0.18750 0.50000 1.0000 + Cr Cr453 1.0 0.75000 0.25000 0.50000 1.0000 + Cr Cr454 1.0 0.75000 0.31250 0.50000 1.0000 + Cr Cr455 1.0 0.75000 0.37500 0.50000 1.0000 + Cr Cr456 1.0 0.75000 0.43750 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Cr Cr500 1.0 0.93750 0.18750 0.50000 1.0000 + Cr Cr501 1.0 0.93750 0.25000 0.50000 1.0000 + Cr Cr502 1.0 0.93750 0.31250 0.50000 1.0000 + Cr Cr503 1.0 0.93750 0.37500 0.50000 1.0000 + Cr Cr504 1.0 0.93750 0.43750 0.50000 1.0000 + Cr Cr505 1.0 0.93750 0.50000 0.50000 1.0000 + Cr Cr506 1.0 0.93750 0.56250 0.50000 1.0000 + Cr Cr507 1.0 0.93750 0.62500 0.50000 1.0000 + Cr Cr508 1.0 0.93750 0.68750 0.50000 1.0000 + Cr Cr509 1.0 0.93750 0.75000 0.50000 1.0000 + Cr Cr510 1.0 0.93750 0.81250 0.50000 1.0000 + Cr Cr511 1.0 0.93750 0.87500 0.50000 1.0000 + Cr Cr512 1.0 0.93750 0.93750 0.50000 1.0000 + F F1 1.0 0.00529 0.01989 0.34065 1.0000 + F F2 1.0 0.00529 0.08239 0.34065 1.0000 + F F3 1.0 0.00529 0.14489 0.34065 1.0000 + F F4 1.0 0.00529 0.20739 0.34065 1.0000 + F F5 1.0 0.00529 0.26989 0.34065 1.0000 + F F6 1.0 0.00529 0.33239 0.34065 1.0000 + F F7 1.0 0.00529 0.39489 0.34065 1.0000 + F F8 1.0 0.00529 0.45739 0.34065 1.0000 + F F9 1.0 0.00529 0.51989 0.34065 1.0000 + F F10 1.0 0.00529 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F F126 1.0 0.44279 0.83239 0.34065 1.0000 + F F127 1.0 0.44279 0.89489 0.34065 1.0000 + F F128 1.0 0.44279 0.95739 0.34065 1.0000 + F F129 1.0 0.50529 0.01989 0.34065 1.0000 + F F130 1.0 0.50529 0.08239 0.34065 1.0000 + F F131 1.0 0.50529 0.14489 0.34065 1.0000 + F F132 1.0 0.50529 0.20739 0.34065 1.0000 + F F133 1.0 0.50529 0.26989 0.34065 1.0000 + F F134 1.0 0.50529 0.33239 0.34065 1.0000 + F F135 1.0 0.50529 0.39489 0.34065 1.0000 + F F136 1.0 0.50529 0.45739 0.34065 1.0000 + F F137 1.0 0.50529 0.51989 0.34065 1.0000 + F F138 1.0 0.50529 0.58239 0.34065 1.0000 + F F139 1.0 0.50529 0.64489 0.34065 1.0000 + F F140 1.0 0.50529 0.70739 0.34065 1.0000 + F F141 1.0 0.50529 0.76989 0.34065 1.0000 + F F142 1.0 0.50529 0.83239 0.34065 1.0000 + F F143 1.0 0.50529 0.89489 0.34065 1.0000 + F F144 1.0 0.50529 0.95739 0.34065 1.0000 + F F145 1.0 0.56779 0.01989 0.34065 1.0000 + F F146 1.0 0.56779 0.08239 0.34065 1.0000 + F F147 1.0 0.56779 0.14489 0.34065 1.0000 + F F148 1.0 0.56779 0.20739 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F F942 1.0 0.68221 0.85511 0.65935 1.0000 + F F943 1.0 0.68221 0.91761 0.65935 1.0000 + F F944 1.0 0.68221 0.98011 0.65935 1.0000 + F F945 1.0 0.74471 0.04261 0.65935 1.0000 + F F946 1.0 0.74471 0.10511 0.65935 1.0000 + F F947 1.0 0.74471 0.16761 0.65935 1.0000 + F F948 1.0 0.74471 0.23011 0.65935 1.0000 + F F949 1.0 0.74471 0.29261 0.65935 1.0000 + F F950 1.0 0.74471 0.35511 0.65935 1.0000 + F F951 1.0 0.74471 0.41761 0.65935 1.0000 + F F952 1.0 0.74471 0.48011 0.65935 1.0000 + F F953 1.0 0.74471 0.54261 0.65935 1.0000 + F F954 1.0 0.74471 0.60511 0.65935 1.0000 + F F955 1.0 0.74471 0.66761 0.65935 1.0000 + F F956 1.0 0.74471 0.73011 0.65935 1.0000 + F F957 1.0 0.74471 0.79261 0.65935 1.0000 + F F958 1.0 0.74471 0.85511 0.65935 1.0000 + F F959 1.0 0.74471 0.91761 0.65935 1.0000 + F F960 1.0 0.74471 0.98011 0.65935 1.0000 + F F961 1.0 0.80721 0.04261 0.65935 1.0000 + F F962 1.0 0.80721 0.10511 0.65935 1.0000 + F F963 1.0 0.80721 0.16761 0.65935 1.0000 + F F964 1.0 0.80721 0.23011 0.65935 1.0000 + F F965 1.0 0.80721 0.29261 0.65935 1.0000 + F F966 1.0 0.80721 0.35511 0.65935 1.0000 + F F967 1.0 0.80721 0.41761 0.65935 1.0000 + F F968 1.0 0.80721 0.48011 0.65935 1.0000 + F F969 1.0 0.80721 0.54261 0.65935 1.0000 + F F970 1.0 0.80721 0.60511 0.65935 1.0000 + F F971 1.0 0.80721 0.66761 0.65935 1.0000 + F F972 1.0 0.80721 0.73011 0.65935 1.0000 + F F973 1.0 0.80721 0.79261 0.65935 1.0000 + F F974 1.0 0.80721 0.85511 0.65935 1.0000 + F F975 1.0 0.80721 0.91761 0.65935 1.0000 + F F976 1.0 0.80721 0.98011 0.65935 1.0000 + F F977 1.0 0.86971 0.04261 0.65935 1.0000 + F F978 1.0 0.86971 0.10511 0.65935 1.0000 + F F979 1.0 0.86971 0.16761 0.65935 1.0000 + F F980 1.0 0.86971 0.23011 0.65935 1.0000 + F F981 1.0 0.86971 0.29261 0.65935 1.0000 + F F982 1.0 0.86971 0.35511 0.65935 1.0000 + F F983 1.0 0.86971 0.41761 0.65935 1.0000 + F F984 1.0 0.86971 0.48011 0.65935 1.0000 + F F985 1.0 0.86971 0.54261 0.65935 1.0000 + F F986 1.0 0.86971 0.60511 0.65935 1.0000 + F F987 1.0 0.86971 0.66761 0.65935 1.0000 + F F988 1.0 0.86971 0.73011 0.65935 1.0000 + F F989 1.0 0.86971 0.79261 0.65935 1.0000 + F F990 1.0 0.86971 0.85511 0.65935 1.0000 + F F991 1.0 0.86971 0.91761 0.65935 1.0000 + F F992 1.0 0.86971 0.98011 0.65935 1.0000 + F F993 1.0 0.93221 0.04261 0.65935 1.0000 + F F994 1.0 0.93221 0.10511 0.65935 1.0000 + F F995 1.0 0.93221 0.16761 0.65935 1.0000 + F F996 1.0 0.93221 0.23011 0.65935 1.0000 + F F997 1.0 0.93221 0.29261 0.65935 1.0000 + F F998 1.0 0.93221 0.35511 0.65935 1.0000 + F F999 1.0 0.93221 0.41761 0.65935 1.0000 + F F1000 1.0 0.93221 0.48011 0.65935 1.0000 + F F1001 1.0 0.93221 0.54261 0.65935 1.0000 + F F1002 1.0 0.93221 0.60511 0.65935 1.0000 + F F1003 1.0 0.93221 0.66761 0.65935 1.0000 + F F1004 1.0 0.93221 0.73011 0.65935 1.0000 + F F1005 1.0 0.93221 0.79261 0.65935 1.0000 + F F1006 1.0 0.93221 0.85511 0.65935 1.0000 + F F1007 1.0 0.93221 0.91761 0.65935 1.0000 + F F1008 1.0 0.93221 0.98011 0.65935 1.0000 + F F1009 1.0 0.99471 0.04261 0.65935 1.0000 + F F1010 1.0 0.99471 0.10511 0.65935 1.0000 + F F1011 1.0 0.99471 0.16761 0.65935 1.0000 + F F1012 1.0 0.99471 0.23011 0.65935 1.0000 + F F1013 1.0 0.99471 0.29261 0.65935 1.0000 + F F1014 1.0 0.99471 0.35511 0.65935 1.0000 + F F1015 1.0 0.99471 0.41761 0.65935 1.0000 + F F1016 1.0 0.99471 0.48011 0.65935 1.0000 + F F1017 1.0 0.99471 0.54261 0.65935 1.0000 + F F1018 1.0 0.99471 0.60511 0.65935 1.0000 + F F1019 1.0 0.99471 0.66761 0.65935 1.0000 + F F1020 1.0 0.99471 0.73011 0.65935 1.0000 + F F1021 1.0 0.99471 0.79261 0.65935 1.0000 + F F1022 1.0 0.99471 0.85511 0.65935 1.0000 + F F1023 1.0 0.99471 0.91761 0.65935 1.0000 + F F1024 1.0 0.99471 0.98011 0.65935 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4352_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4352_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..691fd5ce10f126999ad82715fb6424984e0856c4 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4352_supercell_12x12x1.cif @@ -0,0 +1,3481 @@ +data_image0 +_chemical_formula_structural Ti144Mn432O1152Ti144Mn432O1152 +_chemical_formula_sum "Ti288 Mn864 O2304" +_cell_length_a 122.12 +_cell_length_b 70.5061 +_cell_length_c 5.92215 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Ti Ti1 1.0 0.04167 1.00000 0.50000 1.0000 + Ti Ti2 1.0 0.08333 0.04167 0.50000 1.0000 + Ti Ti3 1.0 0.12500 0.08333 0.50000 1.0000 + Ti Ti4 1.0 0.16667 0.12500 0.50000 1.0000 + Ti Ti5 1.0 0.20833 0.16667 0.50000 1.0000 + Ti Ti6 1.0 0.25000 0.20833 0.50000 1.0000 + Ti Ti7 1.0 0.29167 0.25000 0.50000 1.0000 + Ti Ti8 1.0 0.33333 0.29167 0.50000 1.0000 + Ti Ti9 1.0 0.37500 0.33333 0.50000 1.0000 + Ti Ti10 1.0 0.41667 0.37500 0.50000 1.0000 + Ti Ti11 1.0 0.45833 0.41667 0.50000 1.0000 + Ti Ti12 1.0 0.50000 0.45833 0.50000 1.0000 + Ti Ti13 1.0 0.08333 0.95833 0.50000 1.0000 + Ti Ti14 1.0 0.12500 1.00000 0.50000 1.0000 + Ti Ti15 1.0 0.16667 0.04167 0.50000 1.0000 + Ti Ti16 1.0 0.20833 0.08333 0.50000 1.0000 + Ti Ti17 1.0 0.25000 0.12500 0.50000 1.0000 + Ti Ti18 1.0 0.29167 0.16667 0.50000 1.0000 + Ti Ti19 1.0 0.33333 0.20833 0.50000 1.0000 + Ti Ti20 1.0 0.37500 0.25000 0.50000 1.0000 + Ti Ti21 1.0 0.41667 0.29167 0.50000 1.0000 + Ti Ti22 1.0 0.45833 0.33333 0.50000 1.0000 + Ti Ti23 1.0 0.50000 0.37500 0.50000 1.0000 + Ti Ti24 1.0 0.54167 0.41667 0.50000 1.0000 + Ti Ti25 1.0 0.12500 0.91667 0.50000 1.0000 + Ti Ti26 1.0 0.16667 0.95833 0.50000 1.0000 + Ti Ti27 1.0 0.20833 1.00000 0.50000 1.0000 + Ti Ti28 1.0 0.25000 0.04167 0.50000 1.0000 + Ti Ti29 1.0 0.29167 0.08333 0.50000 1.0000 + Ti Ti30 1.0 0.33333 0.12500 0.50000 1.0000 + Ti Ti31 1.0 0.37500 0.16667 0.50000 1.0000 + Ti Ti32 1.0 0.41667 0.20833 0.50000 1.0000 + Ti Ti33 1.0 0.45833 0.25000 0.50000 1.0000 + Ti Ti34 1.0 0.50000 0.29167 0.50000 1.0000 + Ti Ti35 1.0 0.54167 0.33333 0.50000 1.0000 + Ti Ti36 1.0 0.58333 0.37500 0.50000 1.0000 + Ti Ti37 1.0 0.16667 0.87500 0.50000 1.0000 + Ti Ti38 1.0 0.20833 0.91667 0.50000 1.0000 + Ti Ti39 1.0 0.25000 0.95833 0.50000 1.0000 + Ti Ti40 1.0 0.29167 1.00000 0.50000 1.0000 + Ti Ti41 1.0 0.33333 0.04167 0.50000 1.0000 + Ti Ti42 1.0 0.37500 0.08333 0.50000 1.0000 + Ti Ti43 1.0 0.41667 0.12500 0.50000 1.0000 + Ti Ti44 1.0 0.45833 0.16667 0.50000 1.0000 + Ti Ti45 1.0 0.50000 0.20833 0.50000 1.0000 + Ti Ti46 1.0 0.54167 0.25000 0.50000 1.0000 + Ti Ti47 1.0 0.58333 0.29167 0.50000 1.0000 + Ti Ti48 1.0 0.62500 0.33333 0.50000 1.0000 + Ti Ti49 1.0 0.20833 0.83333 0.50000 1.0000 + Ti Ti50 1.0 0.25000 0.87500 0.50000 1.0000 + Ti Ti51 1.0 0.29167 0.91667 0.50000 1.0000 + Ti Ti52 1.0 0.33333 0.95833 0.50000 1.0000 + Ti Ti53 1.0 0.37500 1.00000 0.50000 1.0000 + Ti Ti54 1.0 0.41667 0.04167 0.50000 1.0000 + Ti Ti55 1.0 0.45833 0.08333 0.50000 1.0000 + Ti Ti56 1.0 0.50000 0.12500 0.50000 1.0000 + Ti Ti57 1.0 0.54167 0.16667 0.50000 1.0000 + Ti Ti58 1.0 0.58333 0.20833 0.50000 1.0000 + Ti Ti59 1.0 0.62500 0.25000 0.50000 1.0000 + Ti Ti60 1.0 0.66667 0.29167 0.50000 1.0000 + Ti Ti61 1.0 0.25000 0.79167 0.50000 1.0000 + Ti Ti62 1.0 0.29167 0.83333 0.50000 1.0000 + Ti Ti63 1.0 0.33333 0.87500 0.50000 1.0000 + Ti Ti64 1.0 0.37500 0.91667 0.50000 1.0000 + Ti Ti65 1.0 0.41667 0.95833 0.50000 1.0000 + Ti Ti66 1.0 0.45833 1.00000 0.50000 1.0000 + Ti Ti67 1.0 0.50000 0.04167 0.50000 1.0000 + Ti Ti68 1.0 0.54167 0.08333 0.50000 1.0000 + Ti Ti69 1.0 0.58333 0.12500 0.50000 1.0000 + Ti Ti70 1.0 0.62500 0.16667 0.50000 1.0000 + Ti Ti71 1.0 0.66667 0.20833 0.50000 1.0000 + Ti Ti72 1.0 0.70833 0.25000 0.50000 1.0000 + Ti Ti73 1.0 0.29167 0.75000 0.50000 1.0000 + Ti Ti74 1.0 0.33333 0.79167 0.50000 1.0000 + Ti Ti75 1.0 0.37500 0.83333 0.50000 1.0000 + Ti Ti76 1.0 0.41667 0.87500 0.50000 1.0000 + Ti Ti77 1.0 0.45833 0.91667 0.50000 1.0000 + Ti Ti78 1.0 0.50000 0.95833 0.50000 1.0000 + Ti Ti79 1.0 0.54167 1.00000 0.50000 1.0000 + Ti Ti80 1.0 0.58333 0.04167 0.50000 1.0000 + Ti Ti81 1.0 0.62500 0.08333 0.50000 1.0000 + Ti Ti82 1.0 0.66667 0.12500 0.50000 1.0000 + Ti Ti83 1.0 0.70833 0.16667 0.50000 1.0000 + Ti Ti84 1.0 0.75000 0.20833 0.50000 1.0000 + Ti Ti85 1.0 0.33333 0.70833 0.50000 1.0000 + Ti Ti86 1.0 0.37500 0.75000 0.50000 1.0000 + Ti Ti87 1.0 0.41667 0.79167 0.50000 1.0000 + Ti Ti88 1.0 0.45833 0.83333 0.50000 1.0000 + Ti Ti89 1.0 0.50000 0.87500 0.50000 1.0000 + Ti Ti90 1.0 0.54167 0.91667 0.50000 1.0000 + Ti Ti91 1.0 0.58333 0.95833 0.50000 1.0000 + Ti Ti92 1.0 0.62500 1.00000 0.50000 1.0000 + Ti Ti93 1.0 0.66667 0.04167 0.50000 1.0000 + Ti Ti94 1.0 0.70833 0.08333 0.50000 1.0000 + Ti Ti95 1.0 0.75000 0.12500 0.50000 1.0000 + Ti Ti96 1.0 0.79167 0.16667 0.50000 1.0000 + Ti Ti97 1.0 0.37500 0.66667 0.50000 1.0000 + Ti Ti98 1.0 0.41667 0.70833 0.50000 1.0000 + Ti Ti99 1.0 0.45833 0.75000 0.50000 1.0000 + Ti Ti100 1.0 0.50000 0.79167 0.50000 1.0000 + Ti Ti101 1.0 0.54167 0.83333 0.50000 1.0000 + Ti Ti102 1.0 0.58333 0.87500 0.50000 1.0000 + Ti Ti103 1.0 0.62500 0.91667 0.50000 1.0000 + Ti Ti104 1.0 0.66667 0.95833 0.50000 1.0000 + Ti Ti105 1.0 0.70833 1.00000 0.50000 1.0000 + Ti Ti106 1.0 0.75000 0.04167 0.50000 1.0000 + Ti Ti107 1.0 0.79167 0.08333 0.50000 1.0000 + Ti Ti108 1.0 0.83333 0.12500 0.50000 1.0000 + Ti Ti109 1.0 0.41667 0.62500 0.50000 1.0000 + Ti Ti110 1.0 0.45833 0.66667 0.50000 1.0000 + Ti Ti111 1.0 0.50000 0.70833 0.50000 1.0000 + Ti Ti112 1.0 0.54167 0.75000 0.50000 1.0000 + Ti Ti113 1.0 0.58333 0.79167 0.50000 1.0000 + Ti Ti114 1.0 0.62500 0.83333 0.50000 1.0000 + Ti Ti115 1.0 0.66667 0.87500 0.50000 1.0000 + Ti Ti116 1.0 0.70833 0.91667 0.50000 1.0000 + Ti Ti117 1.0 0.75000 0.95833 0.50000 1.0000 + Ti Ti118 1.0 0.79167 1.00000 0.50000 1.0000 + Ti Ti119 1.0 0.83333 0.04167 0.50000 1.0000 + Ti Ti120 1.0 0.87500 0.08333 0.50000 1.0000 + Ti Ti121 1.0 0.45833 0.58333 0.50000 1.0000 + Ti Ti122 1.0 0.50000 0.62500 0.50000 1.0000 + Ti Ti123 1.0 0.54167 0.66667 0.50000 1.0000 + Ti Ti124 1.0 0.58333 0.70833 0.50000 1.0000 + Ti Ti125 1.0 0.62500 0.75000 0.50000 1.0000 + Ti Ti126 1.0 0.66667 0.79167 0.50000 1.0000 + Ti Ti127 1.0 0.70833 0.83333 0.50000 1.0000 + Ti Ti128 1.0 0.75000 0.87500 0.50000 1.0000 + Ti Ti129 1.0 0.79167 0.91667 0.50000 1.0000 + Ti Ti130 1.0 0.83333 0.95833 0.50000 1.0000 + Ti Ti131 1.0 0.87500 1.00000 0.50000 1.0000 + Ti Ti132 1.0 0.91667 0.04167 0.50000 1.0000 + Ti Ti133 1.0 0.50000 0.54167 0.50000 1.0000 + Ti Ti134 1.0 0.54167 0.58333 0.50000 1.0000 + Ti Ti135 1.0 0.58333 0.62500 0.50000 1.0000 + Ti Ti136 1.0 0.62500 0.66667 0.50000 1.0000 + Ti Ti137 1.0 0.66667 0.70833 0.50000 1.0000 + Ti Ti138 1.0 0.70833 0.75000 0.50000 1.0000 + Ti Ti139 1.0 0.75000 0.79167 0.50000 1.0000 + Ti Ti140 1.0 0.79167 0.83333 0.50000 1.0000 + Ti Ti141 1.0 0.83333 0.87500 0.50000 1.0000 + Ti Ti142 1.0 0.87500 0.91667 0.50000 1.0000 + Ti Ti143 1.0 0.91667 0.95833 0.50000 1.0000 + Ti Ti144 1.0 0.95833 1.00000 0.50000 1.0000 + Mn Mn1 1.0 0.02083 0.97917 0.50000 1.0000 + Mn Mn2 1.0 0.06250 0.02083 0.50000 1.0000 + Mn Mn3 1.0 0.10417 0.06250 0.50000 1.0000 + Mn Mn4 1.0 0.14583 0.10417 0.50000 1.0000 + Mn Mn5 1.0 0.18750 0.14583 0.50000 1.0000 + Mn Mn6 1.0 0.22917 0.18750 0.50000 1.0000 + Mn Mn7 1.0 0.27083 0.22917 0.50000 1.0000 + Mn Mn8 1.0 0.31250 0.27083 0.50000 1.0000 + Mn Mn9 1.0 0.35417 0.31250 0.50000 1.0000 + Mn Mn10 1.0 0.39583 0.35417 0.50000 1.0000 + Mn Mn11 1.0 0.43750 0.39583 0.50000 1.0000 + Mn Mn12 1.0 0.47917 0.43750 0.50000 1.0000 + Mn Mn13 1.0 0.06250 0.93750 0.50000 1.0000 + Mn Mn14 1.0 0.10417 0.97917 0.50000 1.0000 + Mn Mn15 1.0 0.14583 0.02083 0.50000 1.0000 + Mn Mn16 1.0 0.18750 0.06250 0.50000 1.0000 + Mn Mn17 1.0 0.22917 0.10417 0.50000 1.0000 + Mn Mn18 1.0 0.27083 0.14583 0.50000 1.0000 + Mn Mn19 1.0 0.31250 0.18750 0.50000 1.0000 + Mn Mn20 1.0 0.35417 0.22917 0.50000 1.0000 + Mn Mn21 1.0 0.39583 0.27083 0.50000 1.0000 + Mn Mn22 1.0 0.43750 0.31250 0.50000 1.0000 + Mn Mn23 1.0 0.47917 0.35417 0.50000 1.0000 + Mn Mn24 1.0 0.52083 0.39583 0.50000 1.0000 + Mn Mn25 1.0 0.10417 0.89583 0.50000 1.0000 + Mn Mn26 1.0 0.14583 0.93750 0.50000 1.0000 + Mn Mn27 1.0 0.18750 0.97917 0.50000 1.0000 + Mn Mn28 1.0 0.22917 0.02083 0.50000 1.0000 + Mn Mn29 1.0 0.27083 0.06250 0.50000 1.0000 + Mn Mn30 1.0 0.31250 0.10417 0.50000 1.0000 + Mn Mn31 1.0 0.35417 0.14583 0.50000 1.0000 + Mn Mn32 1.0 0.39583 0.18750 0.50000 1.0000 + Mn Mn33 1.0 0.43750 0.22917 0.50000 1.0000 + Mn Mn34 1.0 0.47917 0.27083 0.50000 1.0000 + Mn Mn35 1.0 0.52083 0.31250 0.50000 1.0000 + Mn Mn36 1.0 0.56250 0.35417 0.50000 1.0000 + Mn Mn37 1.0 0.14583 0.85417 0.50000 1.0000 + Mn Mn38 1.0 0.18750 0.89583 0.50000 1.0000 + Mn Mn39 1.0 0.22917 0.93750 0.50000 1.0000 + Mn Mn40 1.0 0.27083 0.97917 0.50000 1.0000 + Mn Mn41 1.0 0.31250 0.02083 0.50000 1.0000 + Mn Mn42 1.0 0.35417 0.06250 0.50000 1.0000 + Mn Mn43 1.0 0.39583 0.10417 0.50000 1.0000 + Mn Mn44 1.0 0.43750 0.14583 0.50000 1.0000 + Mn Mn45 1.0 0.47917 0.18750 0.50000 1.0000 + Mn Mn46 1.0 0.52083 0.22917 0.50000 1.0000 + Mn Mn47 1.0 0.56250 0.27083 0.50000 1.0000 + Mn Mn48 1.0 0.60417 0.31250 0.50000 1.0000 + Mn Mn49 1.0 0.18750 0.81250 0.50000 1.0000 + Mn Mn50 1.0 0.22917 0.85417 0.50000 1.0000 + Mn Mn51 1.0 0.27083 0.89583 0.50000 1.0000 + Mn Mn52 1.0 0.31250 0.93750 0.50000 1.0000 + Mn Mn53 1.0 0.35417 0.97917 0.50000 1.0000 + Mn Mn54 1.0 0.39583 0.02083 0.50000 1.0000 + Mn Mn55 1.0 0.43750 0.06250 0.50000 1.0000 + Mn Mn56 1.0 0.47917 0.10417 0.50000 1.0000 + Mn Mn57 1.0 0.52083 0.14583 0.50000 1.0000 + Mn Mn58 1.0 0.56250 0.18750 0.50000 1.0000 + Mn Mn59 1.0 0.60417 0.22917 0.50000 1.0000 + Mn Mn60 1.0 0.64583 0.27083 0.50000 1.0000 + Mn Mn61 1.0 0.22917 0.77083 0.50000 1.0000 + Mn Mn62 1.0 0.27083 0.81250 0.50000 1.0000 + Mn Mn63 1.0 0.31250 0.85417 0.50000 1.0000 + Mn Mn64 1.0 0.35417 0.89583 0.50000 1.0000 + Mn Mn65 1.0 0.39583 0.93750 0.50000 1.0000 + Mn Mn66 1.0 0.43750 0.97917 0.50000 1.0000 + Mn Mn67 1.0 0.47917 0.02083 0.50000 1.0000 + Mn Mn68 1.0 0.52083 0.06250 0.50000 1.0000 + Mn Mn69 1.0 0.56250 0.10417 0.50000 1.0000 + Mn Mn70 1.0 0.60417 0.14583 0.50000 1.0000 + Mn Mn71 1.0 0.64583 0.18750 0.50000 1.0000 + Mn Mn72 1.0 0.68750 0.22917 0.50000 1.0000 + Mn Mn73 1.0 0.27083 0.72917 0.50000 1.0000 + Mn Mn74 1.0 0.31250 0.77083 0.50000 1.0000 + Mn Mn75 1.0 0.35417 0.81250 0.50000 1.0000 + Mn Mn76 1.0 0.39583 0.85417 0.50000 1.0000 + Mn Mn77 1.0 0.43750 0.89583 0.50000 1.0000 + Mn Mn78 1.0 0.47917 0.93750 0.50000 1.0000 + Mn Mn79 1.0 0.52083 0.97917 0.50000 1.0000 + Mn Mn80 1.0 0.56250 0.02083 0.50000 1.0000 + Mn Mn81 1.0 0.60417 0.06250 0.50000 1.0000 + Mn Mn82 1.0 0.64583 0.10417 0.50000 1.0000 + Mn Mn83 1.0 0.68750 0.14583 0.50000 1.0000 + Mn Mn84 1.0 0.72917 0.18750 0.50000 1.0000 + Mn Mn85 1.0 0.31250 0.68750 0.50000 1.0000 + Mn Mn86 1.0 0.35417 0.72917 0.50000 1.0000 + Mn Mn87 1.0 0.39583 0.77083 0.50000 1.0000 + Mn Mn88 1.0 0.43750 0.81250 0.50000 1.0000 + Mn Mn89 1.0 0.47917 0.85417 0.50000 1.0000 + Mn Mn90 1.0 0.52083 0.89583 0.50000 1.0000 + Mn Mn91 1.0 0.56250 0.93750 0.50000 1.0000 + Mn Mn92 1.0 0.60417 0.97917 0.50000 1.0000 + Mn Mn93 1.0 0.64583 0.02083 0.50000 1.0000 + Mn Mn94 1.0 0.68750 0.06250 0.50000 1.0000 + Mn Mn95 1.0 0.72917 0.10417 0.50000 1.0000 + Mn Mn96 1.0 0.77083 0.14583 0.50000 1.0000 + Mn Mn97 1.0 0.35417 0.64583 0.50000 1.0000 + Mn Mn98 1.0 0.39583 0.68750 0.50000 1.0000 + Mn Mn99 1.0 0.43750 0.72917 0.50000 1.0000 + Mn Mn100 1.0 0.47917 0.77083 0.50000 1.0000 + Mn Mn101 1.0 0.52083 0.81250 0.50000 1.0000 + Mn Mn102 1.0 0.56250 0.85417 0.50000 1.0000 + Mn Mn103 1.0 0.60417 0.89583 0.50000 1.0000 + Mn Mn104 1.0 0.64583 0.93750 0.50000 1.0000 + Mn Mn105 1.0 0.68750 0.97917 0.50000 1.0000 + Mn Mn106 1.0 0.72917 0.02083 0.50000 1.0000 + Mn Mn107 1.0 0.77083 0.06250 0.50000 1.0000 + Mn Mn108 1.0 0.81250 0.10417 0.50000 1.0000 + Mn Mn109 1.0 0.39583 0.60417 0.50000 1.0000 + Mn Mn110 1.0 0.43750 0.64583 0.50000 1.0000 + Mn Mn111 1.0 0.47917 0.68750 0.50000 1.0000 + Mn Mn112 1.0 0.52083 0.72917 0.50000 1.0000 + Mn Mn113 1.0 0.56250 0.77083 0.50000 1.0000 + Mn Mn114 1.0 0.60417 0.81250 0.50000 1.0000 + Mn Mn115 1.0 0.64583 0.85417 0.50000 1.0000 + Mn Mn116 1.0 0.68750 0.89583 0.50000 1.0000 + Mn Mn117 1.0 0.72917 0.93750 0.50000 1.0000 + Mn Mn118 1.0 0.77083 0.97917 0.50000 1.0000 + Mn Mn119 1.0 0.81250 0.02083 0.50000 1.0000 + Mn Mn120 1.0 0.85417 0.06250 0.50000 1.0000 + Mn Mn121 1.0 0.43750 0.56250 0.50000 1.0000 + Mn Mn122 1.0 0.47917 0.60417 0.50000 1.0000 + Mn Mn123 1.0 0.52083 0.64583 0.50000 1.0000 + Mn Mn124 1.0 0.56250 0.68750 0.50000 1.0000 + Mn Mn125 1.0 0.60417 0.72917 0.50000 1.0000 + Mn Mn126 1.0 0.64583 0.77083 0.50000 1.0000 + Mn Mn127 1.0 0.68750 0.81250 0.50000 1.0000 + Mn Mn128 1.0 0.72917 0.85417 0.50000 1.0000 + Mn Mn129 1.0 0.77083 0.89583 0.50000 1.0000 + Mn Mn130 1.0 0.81250 0.93750 0.50000 1.0000 + Mn Mn131 1.0 0.85417 0.97917 0.50000 1.0000 + Mn Mn132 1.0 0.89583 0.02083 0.50000 1.0000 + Mn Mn133 1.0 0.47917 0.52083 0.50000 1.0000 + Mn Mn134 1.0 0.52083 0.56250 0.50000 1.0000 + Mn Mn135 1.0 0.56250 0.60417 0.50000 1.0000 + Mn Mn136 1.0 0.60417 0.64583 0.50000 1.0000 + Mn Mn137 1.0 0.64583 0.68750 0.50000 1.0000 + Mn Mn138 1.0 0.68750 0.72917 0.50000 1.0000 + Mn Mn139 1.0 0.72917 0.77083 0.50000 1.0000 + Mn Mn140 1.0 0.77083 0.81250 0.50000 1.0000 + Mn Mn141 1.0 0.81250 0.85417 0.50000 1.0000 + Mn Mn142 1.0 0.85417 0.89583 0.50000 1.0000 + Mn Mn143 1.0 0.89583 0.93750 0.50000 1.0000 + Mn Mn144 1.0 0.93750 0.97917 0.50000 1.0000 + Mn Mn145 1.0 0.06250 0.97917 0.50000 1.0000 + Mn Mn146 1.0 0.10417 0.02083 0.50000 1.0000 + Mn Mn147 1.0 0.14583 0.06250 0.50000 1.0000 + Mn Mn148 1.0 0.18750 0.10417 0.50000 1.0000 + Mn Mn149 1.0 0.22917 0.14583 0.50000 1.0000 + Mn Mn150 1.0 0.27083 0.18750 0.50000 1.0000 + Mn Mn151 1.0 0.31250 0.22917 0.50000 1.0000 + Mn Mn152 1.0 0.35417 0.27083 0.50000 1.0000 + Mn Mn153 1.0 0.39583 0.31250 0.50000 1.0000 + Mn Mn154 1.0 0.43750 0.35417 0.50000 1.0000 + Mn Mn155 1.0 0.47917 0.39583 0.50000 1.0000 + Mn Mn156 1.0 0.52083 0.43750 0.50000 1.0000 + Mn Mn157 1.0 0.10417 0.93750 0.50000 1.0000 + Mn Mn158 1.0 0.14583 0.97917 0.50000 1.0000 + Mn Mn159 1.0 0.18750 0.02083 0.50000 1.0000 + Mn Mn160 1.0 0.22917 0.06250 0.50000 1.0000 + Mn Mn161 1.0 0.27083 0.10417 0.50000 1.0000 + Mn Mn162 1.0 0.31250 0.14583 0.50000 1.0000 + Mn Mn163 1.0 0.35417 0.18750 0.50000 1.0000 + Mn Mn164 1.0 0.39583 0.22917 0.50000 1.0000 + Mn Mn165 1.0 0.43750 0.27083 0.50000 1.0000 + Mn Mn166 1.0 0.47917 0.31250 0.50000 1.0000 + Mn Mn167 1.0 0.52083 0.35417 0.50000 1.0000 + Mn Mn168 1.0 0.56250 0.39583 0.50000 1.0000 + Mn Mn169 1.0 0.14583 0.89583 0.50000 1.0000 + Mn Mn170 1.0 0.18750 0.93750 0.50000 1.0000 + Mn Mn171 1.0 0.22917 0.97917 0.50000 1.0000 + Mn Mn172 1.0 0.27083 0.02083 0.50000 1.0000 + Mn Mn173 1.0 0.31250 0.06250 0.50000 1.0000 + Mn Mn174 1.0 0.35417 0.10417 0.50000 1.0000 + Mn Mn175 1.0 0.39583 0.14583 0.50000 1.0000 + Mn Mn176 1.0 0.43750 0.18750 0.50000 1.0000 + Mn Mn177 1.0 0.47917 0.22917 0.50000 1.0000 + Mn Mn178 1.0 0.52083 0.27083 0.50000 1.0000 + Mn Mn179 1.0 0.56250 0.31250 0.50000 1.0000 + Mn Mn180 1.0 0.60417 0.35417 0.50000 1.0000 + Mn Mn181 1.0 0.18750 0.85417 0.50000 1.0000 + Mn Mn182 1.0 0.22917 0.89583 0.50000 1.0000 + Mn Mn183 1.0 0.27083 0.93750 0.50000 1.0000 + Mn Mn184 1.0 0.31250 0.97917 0.50000 1.0000 + Mn Mn185 1.0 0.35417 0.02083 0.50000 1.0000 + Mn Mn186 1.0 0.39583 0.06250 0.50000 1.0000 + Mn Mn187 1.0 0.43750 0.10417 0.50000 1.0000 + Mn Mn188 1.0 0.47917 0.14583 0.50000 1.0000 + Mn Mn189 1.0 0.52083 0.18750 0.50000 1.0000 + Mn Mn190 1.0 0.56250 0.22917 0.50000 1.0000 + Mn Mn191 1.0 0.60417 0.27083 0.50000 1.0000 + Mn Mn192 1.0 0.64583 0.31250 0.50000 1.0000 + Mn Mn193 1.0 0.22917 0.81250 0.50000 1.0000 + Mn Mn194 1.0 0.27083 0.85417 0.50000 1.0000 + Mn Mn195 1.0 0.31250 0.89583 0.50000 1.0000 + Mn Mn196 1.0 0.35417 0.93750 0.50000 1.0000 + Mn Mn197 1.0 0.39583 0.97917 0.50000 1.0000 + Mn Mn198 1.0 0.43750 0.02083 0.50000 1.0000 + Mn Mn199 1.0 0.47917 0.06250 0.50000 1.0000 + Mn Mn200 1.0 0.52083 0.10417 0.50000 1.0000 + Mn Mn201 1.0 0.56250 0.14583 0.50000 1.0000 + Mn Mn202 1.0 0.60417 0.18750 0.50000 1.0000 + Mn Mn203 1.0 0.64583 0.22917 0.50000 1.0000 + Mn Mn204 1.0 0.68750 0.27083 0.50000 1.0000 + Mn Mn205 1.0 0.27083 0.77083 0.50000 1.0000 + Mn Mn206 1.0 0.31250 0.81250 0.50000 1.0000 + Mn Mn207 1.0 0.35417 0.85417 0.50000 1.0000 + Mn Mn208 1.0 0.39583 0.89583 0.50000 1.0000 + Mn Mn209 1.0 0.43750 0.93750 0.50000 1.0000 + Mn Mn210 1.0 0.47917 0.97917 0.50000 1.0000 + Mn Mn211 1.0 0.52083 0.02083 0.50000 1.0000 + Mn Mn212 1.0 0.56250 0.06250 0.50000 1.0000 + Mn Mn213 1.0 0.60417 0.10417 0.50000 1.0000 + Mn Mn214 1.0 0.64583 0.14583 0.50000 1.0000 + Mn Mn215 1.0 0.68750 0.18750 0.50000 1.0000 + Mn Mn216 1.0 0.72917 0.22917 0.50000 1.0000 + Mn Mn217 1.0 0.31250 0.72917 0.50000 1.0000 + Mn Mn218 1.0 0.35417 0.77083 0.50000 1.0000 + Mn Mn219 1.0 0.39583 0.81250 0.50000 1.0000 + Mn Mn220 1.0 0.43750 0.85417 0.50000 1.0000 + Mn Mn221 1.0 0.47917 0.89583 0.50000 1.0000 + Mn Mn222 1.0 0.52083 0.93750 0.50000 1.0000 + Mn Mn223 1.0 0.56250 0.97917 0.50000 1.0000 + Mn Mn224 1.0 0.60417 0.02083 0.50000 1.0000 + Mn Mn225 1.0 0.64583 0.06250 0.50000 1.0000 + Mn Mn226 1.0 0.68750 0.10417 0.50000 1.0000 + Mn Mn227 1.0 0.72917 0.14583 0.50000 1.0000 + Mn Mn228 1.0 0.77083 0.18750 0.50000 1.0000 + Mn Mn229 1.0 0.35417 0.68750 0.50000 1.0000 + Mn Mn230 1.0 0.39583 0.72917 0.50000 1.0000 + Mn Mn231 1.0 0.43750 0.77083 0.50000 1.0000 + Mn Mn232 1.0 0.47917 0.81250 0.50000 1.0000 + Mn Mn233 1.0 0.52083 0.85417 0.50000 1.0000 + Mn Mn234 1.0 0.56250 0.89583 0.50000 1.0000 + Mn Mn235 1.0 0.60417 0.93750 0.50000 1.0000 + Mn Mn236 1.0 0.64583 0.97917 0.50000 1.0000 + Mn Mn237 1.0 0.68750 0.02083 0.50000 1.0000 + Mn Mn238 1.0 0.72917 0.06250 0.50000 1.0000 + Mn Mn239 1.0 0.77083 0.10417 0.50000 1.0000 + Mn Mn240 1.0 0.81250 0.14583 0.50000 1.0000 + Mn Mn241 1.0 0.39583 0.64583 0.50000 1.0000 + Mn Mn242 1.0 0.43750 0.68750 0.50000 1.0000 + Mn Mn243 1.0 0.47917 0.72917 0.50000 1.0000 + Mn Mn244 1.0 0.52083 0.77083 0.50000 1.0000 + Mn Mn245 1.0 0.56250 0.81250 0.50000 1.0000 + Mn Mn246 1.0 0.60417 0.85417 0.50000 1.0000 + Mn Mn247 1.0 0.64583 0.89583 0.50000 1.0000 + Mn Mn248 1.0 0.68750 0.93750 0.50000 1.0000 + Mn Mn249 1.0 0.72917 0.97917 0.50000 1.0000 + Mn Mn250 1.0 0.77083 0.02083 0.50000 1.0000 + Mn Mn251 1.0 0.81250 0.06250 0.50000 1.0000 + Mn Mn252 1.0 0.85417 0.10417 0.50000 1.0000 + Mn Mn253 1.0 0.43750 0.60417 0.50000 1.0000 + Mn Mn254 1.0 0.47917 0.64583 0.50000 1.0000 + Mn Mn255 1.0 0.52083 0.68750 0.50000 1.0000 + Mn Mn256 1.0 0.56250 0.72917 0.50000 1.0000 + Mn Mn257 1.0 0.60417 0.77083 0.50000 1.0000 + Mn Mn258 1.0 0.64583 0.81250 0.50000 1.0000 + Mn Mn259 1.0 0.68750 0.85417 0.50000 1.0000 + Mn Mn260 1.0 0.72917 0.89583 0.50000 1.0000 + Mn Mn261 1.0 0.77083 0.93750 0.50000 1.0000 + Mn Mn262 1.0 0.81250 0.97917 0.50000 1.0000 + Mn Mn263 1.0 0.85417 0.02083 0.50000 1.0000 + Mn Mn264 1.0 0.89583 0.06250 0.50000 1.0000 + Mn Mn265 1.0 0.47917 0.56250 0.50000 1.0000 + Mn Mn266 1.0 0.52083 0.60417 0.50000 1.0000 + Mn Mn267 1.0 0.56250 0.64583 0.50000 1.0000 + Mn Mn268 1.0 0.60417 0.68750 0.50000 1.0000 + Mn Mn269 1.0 0.64583 0.72917 0.50000 1.0000 + Mn Mn270 1.0 0.68750 0.77083 0.50000 1.0000 + Mn Mn271 1.0 0.72917 0.81250 0.50000 1.0000 + Mn Mn272 1.0 0.77083 0.85417 0.50000 1.0000 + Mn Mn273 1.0 0.81250 0.89583 0.50000 1.0000 + Mn Mn274 1.0 0.85417 0.93750 0.50000 1.0000 + Mn Mn275 1.0 0.89583 0.97917 0.50000 1.0000 + Mn Mn276 1.0 0.93750 0.02083 0.50000 1.0000 + Mn Mn277 1.0 0.52083 0.52083 0.50000 1.0000 + Mn Mn278 1.0 0.56250 0.56250 0.50000 1.0000 + Mn Mn279 1.0 0.60417 0.60417 0.50000 1.0000 + Mn Mn280 1.0 0.64583 0.64583 0.50000 1.0000 + Mn Mn281 1.0 0.68750 0.68750 0.50000 1.0000 + Mn Mn282 1.0 0.72917 0.72917 0.50000 1.0000 + Mn Mn283 1.0 0.77083 0.77083 0.50000 1.0000 + Mn Mn284 1.0 0.81250 0.81250 0.50000 1.0000 + Mn Mn285 1.0 0.85417 0.85417 0.50000 1.0000 + Mn Mn286 1.0 0.89583 0.89583 0.50000 1.0000 + Mn Mn287 1.0 0.93750 0.93750 0.50000 1.0000 + Mn Mn288 1.0 0.97917 0.97917 0.50000 1.0000 + Mn Mn289 1.0 0.04167 0.95833 0.50000 1.0000 + Mn Mn290 1.0 0.08333 0.00000 0.50000 1.0000 + Mn Mn291 1.0 0.12500 0.04167 0.50000 1.0000 + Mn Mn292 1.0 0.16667 0.08333 0.50000 1.0000 + Mn Mn293 1.0 0.20833 0.12500 0.50000 1.0000 + Mn Mn294 1.0 0.25000 0.16667 0.50000 1.0000 + Mn Mn295 1.0 0.29167 0.20833 0.50000 1.0000 + Mn Mn296 1.0 0.33333 0.25000 0.50000 1.0000 + Mn Mn297 1.0 0.37500 0.29167 0.50000 1.0000 + Mn Mn298 1.0 0.41667 0.33333 0.50000 1.0000 + Mn Mn299 1.0 0.45833 0.37500 0.50000 1.0000 + Mn Mn300 1.0 0.50000 0.41667 0.50000 1.0000 + Mn Mn301 1.0 0.08333 0.91667 0.50000 1.0000 + Mn Mn302 1.0 0.12500 0.95833 0.50000 1.0000 + Mn Mn303 1.0 0.16667 0.00000 0.50000 1.0000 + Mn Mn304 1.0 0.20833 0.04167 0.50000 1.0000 + Mn Mn305 1.0 0.25000 0.08333 0.50000 1.0000 + Mn Mn306 1.0 0.29167 0.12500 0.50000 1.0000 + Mn Mn307 1.0 0.33333 0.16667 0.50000 1.0000 + Mn Mn308 1.0 0.37500 0.20833 0.50000 1.0000 + Mn Mn309 1.0 0.41667 0.25000 0.50000 1.0000 + Mn Mn310 1.0 0.45833 0.29167 0.50000 1.0000 + Mn Mn311 1.0 0.50000 0.33333 0.50000 1.0000 + Mn Mn312 1.0 0.54167 0.37500 0.50000 1.0000 + Mn Mn313 1.0 0.12500 0.87500 0.50000 1.0000 + Mn Mn314 1.0 0.16667 0.91667 0.50000 1.0000 + Mn Mn315 1.0 0.20833 0.95833 0.50000 1.0000 + Mn Mn316 1.0 0.25000 0.00000 0.50000 1.0000 + Mn Mn317 1.0 0.29167 0.04167 0.50000 1.0000 + Mn Mn318 1.0 0.33333 0.08333 0.50000 1.0000 + Mn Mn319 1.0 0.37500 0.12500 0.50000 1.0000 + Mn Mn320 1.0 0.41667 0.16667 0.50000 1.0000 + Mn Mn321 1.0 0.45833 0.20833 0.50000 1.0000 + Mn Mn322 1.0 0.50000 0.25000 0.50000 1.0000 + Mn Mn323 1.0 0.54167 0.29167 0.50000 1.0000 + Mn Mn324 1.0 0.58333 0.33333 0.50000 1.0000 + Mn Mn325 1.0 0.16667 0.83333 0.50000 1.0000 + Mn Mn326 1.0 0.20833 0.87500 0.50000 1.0000 + Mn Mn327 1.0 0.25000 0.91667 0.50000 1.0000 + Mn Mn328 1.0 0.29167 0.95833 0.50000 1.0000 + Mn Mn329 1.0 0.33333 0.00000 0.50000 1.0000 + Mn Mn330 1.0 0.37500 0.04167 0.50000 1.0000 + Mn Mn331 1.0 0.41667 0.08333 0.50000 1.0000 + Mn Mn332 1.0 0.45833 0.12500 0.50000 1.0000 + Mn Mn333 1.0 0.50000 0.16667 0.50000 1.0000 + Mn Mn334 1.0 0.54167 0.20833 0.50000 1.0000 + Mn Mn335 1.0 0.58333 0.25000 0.50000 1.0000 + Mn Mn336 1.0 0.62500 0.29167 0.50000 1.0000 + Mn Mn337 1.0 0.20833 0.79167 0.50000 1.0000 + Mn Mn338 1.0 0.25000 0.83333 0.50000 1.0000 + Mn Mn339 1.0 0.29167 0.87500 0.50000 1.0000 + Mn Mn340 1.0 0.33333 0.91667 0.50000 1.0000 + Mn Mn341 1.0 0.37500 0.95833 0.50000 1.0000 + Mn Mn342 1.0 0.41667 0.00000 0.50000 1.0000 + Mn Mn343 1.0 0.45833 0.04167 0.50000 1.0000 + Mn Mn344 1.0 0.50000 0.08333 0.50000 1.0000 + Mn Mn345 1.0 0.54167 0.12500 0.50000 1.0000 + Mn Mn346 1.0 0.58333 0.16667 0.50000 1.0000 + Mn Mn347 1.0 0.62500 0.20833 0.50000 1.0000 + Mn Mn348 1.0 0.66667 0.25000 0.50000 1.0000 + Mn Mn349 1.0 0.25000 0.75000 0.50000 1.0000 + Mn Mn350 1.0 0.29167 0.79167 0.50000 1.0000 + Mn Mn351 1.0 0.33333 0.83333 0.50000 1.0000 + Mn Mn352 1.0 0.37500 0.87500 0.50000 1.0000 + Mn Mn353 1.0 0.41667 0.91667 0.50000 1.0000 + Mn Mn354 1.0 0.45833 0.95833 0.50000 1.0000 + Mn Mn355 1.0 0.50000 0.00000 0.50000 1.0000 + Mn Mn356 1.0 0.54167 0.04167 0.50000 1.0000 + Mn Mn357 1.0 0.58333 0.08333 0.50000 1.0000 + Mn Mn358 1.0 0.62500 0.12500 0.50000 1.0000 + Mn Mn359 1.0 0.66667 0.16667 0.50000 1.0000 + Mn Mn360 1.0 0.70833 0.20833 0.50000 1.0000 + Mn Mn361 1.0 0.29167 0.70833 0.50000 1.0000 + Mn Mn362 1.0 0.33333 0.75000 0.50000 1.0000 + Mn Mn363 1.0 0.37500 0.79167 0.50000 1.0000 + Mn Mn364 1.0 0.41667 0.83333 0.50000 1.0000 + Mn Mn365 1.0 0.45833 0.87500 0.50000 1.0000 + Mn Mn366 1.0 0.50000 0.91667 0.50000 1.0000 + Mn Mn367 1.0 0.54167 0.95833 0.50000 1.0000 + Mn Mn368 1.0 0.58333 0.00000 0.50000 1.0000 + Mn Mn369 1.0 0.62500 0.04167 0.50000 1.0000 + Mn Mn370 1.0 0.66667 0.08333 0.50000 1.0000 + Mn Mn371 1.0 0.70833 0.12500 0.50000 1.0000 + Mn Mn372 1.0 0.75000 0.16667 0.50000 1.0000 + Mn Mn373 1.0 0.33333 0.66667 0.50000 1.0000 + Mn Mn374 1.0 0.37500 0.70833 0.50000 1.0000 + Mn Mn375 1.0 0.41667 0.75000 0.50000 1.0000 + Mn Mn376 1.0 0.45833 0.79167 0.50000 1.0000 + Mn Mn377 1.0 0.50000 0.83333 0.50000 1.0000 + Mn Mn378 1.0 0.54167 0.87500 0.50000 1.0000 + Mn Mn379 1.0 0.58333 0.91667 0.50000 1.0000 + Mn Mn380 1.0 0.62500 0.95833 0.50000 1.0000 + Mn Mn381 1.0 0.66667 0.00000 0.50000 1.0000 + Mn Mn382 1.0 0.70833 0.04167 0.50000 1.0000 + Mn Mn383 1.0 0.75000 0.08333 0.50000 1.0000 + Mn Mn384 1.0 0.79167 0.12500 0.50000 1.0000 + Mn Mn385 1.0 0.37500 0.62500 0.50000 1.0000 + Mn Mn386 1.0 0.41667 0.66667 0.50000 1.0000 + Mn Mn387 1.0 0.45833 0.70833 0.50000 1.0000 + Mn Mn388 1.0 0.50000 0.75000 0.50000 1.0000 + Mn Mn389 1.0 0.54167 0.79167 0.50000 1.0000 + Mn Mn390 1.0 0.58333 0.83333 0.50000 1.0000 + Mn Mn391 1.0 0.62500 0.87500 0.50000 1.0000 + Mn Mn392 1.0 0.66667 0.91667 0.50000 1.0000 + Mn Mn393 1.0 0.70833 0.95833 0.50000 1.0000 + Mn Mn394 1.0 0.75000 0.00000 0.50000 1.0000 + Mn Mn395 1.0 0.79167 0.04167 0.50000 1.0000 + Mn Mn396 1.0 0.83333 0.08333 0.50000 1.0000 + Mn Mn397 1.0 0.41667 0.58333 0.50000 1.0000 + Mn Mn398 1.0 0.45833 0.62500 0.50000 1.0000 + Mn Mn399 1.0 0.50000 0.66667 0.50000 1.0000 + Mn Mn400 1.0 0.54167 0.70833 0.50000 1.0000 + Mn Mn401 1.0 0.58333 0.75000 0.50000 1.0000 + Mn Mn402 1.0 0.62500 0.79167 0.50000 1.0000 + Mn Mn403 1.0 0.66667 0.83333 0.50000 1.0000 + Mn Mn404 1.0 0.70833 0.87500 0.50000 1.0000 + Mn Mn405 1.0 0.75000 0.91667 0.50000 1.0000 + Mn Mn406 1.0 0.79167 0.95833 0.50000 1.0000 + Mn Mn407 1.0 0.83333 0.00000 0.50000 1.0000 + Mn Mn408 1.0 0.87500 0.04167 0.50000 1.0000 + Mn Mn409 1.0 0.45833 0.54167 0.50000 1.0000 + Mn Mn410 1.0 0.50000 0.58333 0.50000 1.0000 + Mn Mn411 1.0 0.54167 0.62500 0.50000 1.0000 + Mn Mn412 1.0 0.58333 0.66667 0.50000 1.0000 + Mn Mn413 1.0 0.62500 0.70833 0.50000 1.0000 + Mn Mn414 1.0 0.66667 0.75000 0.50000 1.0000 + Mn Mn415 1.0 0.70833 0.79167 0.50000 1.0000 + Mn Mn416 1.0 0.75000 0.83333 0.50000 1.0000 + Mn Mn417 1.0 0.79167 0.87500 0.50000 1.0000 + Mn Mn418 1.0 0.83333 0.91667 0.50000 1.0000 + Mn Mn419 1.0 0.87500 0.95833 0.50000 1.0000 + Mn Mn420 1.0 0.91667 0.00000 0.50000 1.0000 + Mn Mn421 1.0 0.50000 0.50000 0.50000 1.0000 + Mn Mn422 1.0 0.54167 0.54167 0.50000 1.0000 + Mn Mn423 1.0 0.58333 0.58333 0.50000 1.0000 + Mn Mn424 1.0 0.62500 0.62500 0.50000 1.0000 + Mn Mn425 1.0 0.66667 0.66667 0.50000 1.0000 + Mn Mn426 1.0 0.70833 0.70833 0.50000 1.0000 + Mn Mn427 1.0 0.75000 0.75000 0.50000 1.0000 + Mn Mn428 1.0 0.79167 0.79167 0.50000 1.0000 + Mn Mn429 1.0 0.83333 0.83333 0.50000 1.0000 + Mn Mn430 1.0 0.87500 0.87500 0.50000 1.0000 + Mn Mn431 1.0 0.91667 0.91667 0.50000 1.0000 + Mn Mn432 1.0 0.95833 0.95833 0.50000 1.0000 + O O1 1.0 0.06944 0.00000 0.66161 1.0000 + O O2 1.0 0.11111 0.04167 0.66161 1.0000 + O O3 1.0 0.15278 0.08333 0.66161 1.0000 + O O4 1.0 0.19444 0.12500 0.66161 1.0000 + O O5 1.0 0.23611 0.16667 0.66161 1.0000 + O O6 1.0 0.27778 0.20833 0.66161 1.0000 + O O7 1.0 0.31944 0.25000 0.66161 1.0000 + O O8 1.0 0.36111 0.29167 0.66161 1.0000 + O O9 1.0 0.40278 0.33333 0.66161 1.0000 + O O10 1.0 0.44444 0.37500 0.66161 1.0000 + O O11 1.0 0.48611 0.41667 0.66161 1.0000 + O O12 1.0 0.52778 0.45833 0.66161 1.0000 + O O13 1.0 0.11111 0.95833 0.66161 1.0000 + O O14 1.0 0.15278 0.00000 0.66161 1.0000 + O O15 1.0 0.19444 0.04167 0.66161 1.0000 + O O16 1.0 0.23611 0.08333 0.66161 1.0000 + O O17 1.0 0.27778 0.12500 0.66161 1.0000 + O O18 1.0 0.31944 0.16667 0.66161 1.0000 + O O19 1.0 0.36111 0.20833 0.66161 1.0000 + O O20 1.0 0.40278 0.25000 0.66161 1.0000 + O O21 1.0 0.44444 0.29167 0.66161 1.0000 + O O22 1.0 0.48611 0.33333 0.66161 1.0000 + O O23 1.0 0.52778 0.37500 0.66161 1.0000 + O O24 1.0 0.56944 0.41667 0.66161 1.0000 + O O25 1.0 0.15278 0.91667 0.66161 1.0000 + O O26 1.0 0.19444 0.95833 0.66161 1.0000 + O O27 1.0 0.23611 0.00000 0.66161 1.0000 + O O28 1.0 0.27778 0.04167 0.66161 1.0000 + O O29 1.0 0.31944 0.08333 0.66161 1.0000 + O O30 1.0 0.36111 0.12500 0.66161 1.0000 + O O31 1.0 0.40278 0.16667 0.66161 1.0000 + O O32 1.0 0.44444 0.20833 0.66161 1.0000 + O O33 1.0 0.48611 0.25000 0.66161 1.0000 + O O34 1.0 0.52778 0.29167 0.66161 1.0000 + O O35 1.0 0.56944 0.33333 0.66161 1.0000 + O O36 1.0 0.61111 0.37500 0.66161 1.0000 + O O37 1.0 0.19444 0.87500 0.66161 1.0000 + O O38 1.0 0.23611 0.91667 0.66161 1.0000 + O O39 1.0 0.27778 0.95833 0.66161 1.0000 + O O40 1.0 0.31944 0.00000 0.66161 1.0000 + O O41 1.0 0.36111 0.04167 0.66161 1.0000 + O O42 1.0 0.40278 0.08333 0.66161 1.0000 + O O43 1.0 0.44444 0.12500 0.66161 1.0000 + O O44 1.0 0.48611 0.16667 0.66161 1.0000 + O O45 1.0 0.52778 0.20833 0.66161 1.0000 + O O46 1.0 0.56944 0.25000 0.66161 1.0000 + O O47 1.0 0.61111 0.29167 0.66161 1.0000 + O O48 1.0 0.65278 0.33333 0.66161 1.0000 + O O49 1.0 0.23611 0.83333 0.66161 1.0000 + O O50 1.0 0.27778 0.87500 0.66161 1.0000 + O O51 1.0 0.31944 0.91667 0.66161 1.0000 + O O52 1.0 0.36111 0.95833 0.66161 1.0000 + O O53 1.0 0.40278 0.00000 0.66161 1.0000 + O O54 1.0 0.44444 0.04167 0.66161 1.0000 + O O55 1.0 0.48611 0.08333 0.66161 1.0000 + O O56 1.0 0.52778 0.12500 0.66161 1.0000 + O O57 1.0 0.56944 0.16667 0.66161 1.0000 + O O58 1.0 0.61111 0.20833 0.66161 1.0000 + O O59 1.0 0.65278 0.25000 0.66161 1.0000 + O O60 1.0 0.69444 0.29167 0.66161 1.0000 + O O61 1.0 0.27778 0.79167 0.66161 1.0000 + O O62 1.0 0.31944 0.83333 0.66161 1.0000 + O O63 1.0 0.36111 0.87500 0.66161 1.0000 + O O64 1.0 0.40278 0.91667 0.66161 1.0000 + O O65 1.0 0.44444 0.95833 0.66161 1.0000 + O O66 1.0 0.48611 0.00000 0.66161 1.0000 + O O67 1.0 0.52778 0.04167 0.66161 1.0000 + O O68 1.0 0.56944 0.08333 0.66161 1.0000 + O O69 1.0 0.61111 0.12500 0.66161 1.0000 + O O70 1.0 0.65278 0.16667 0.66161 1.0000 + O O71 1.0 0.69444 0.20833 0.66161 1.0000 + O O72 1.0 0.73611 0.25000 0.66161 1.0000 + O O73 1.0 0.31944 0.75000 0.66161 1.0000 + O O74 1.0 0.36111 0.79167 0.66161 1.0000 + O O75 1.0 0.40278 0.83333 0.66161 1.0000 + O O76 1.0 0.44444 0.87500 0.66161 1.0000 + O O77 1.0 0.48611 0.91667 0.66161 1.0000 + O O78 1.0 0.52778 0.95833 0.66161 1.0000 + O O79 1.0 0.56944 0.00000 0.66161 1.0000 + O O80 1.0 0.61111 0.04167 0.66161 1.0000 + O O81 1.0 0.65278 0.08333 0.66161 1.0000 + O O82 1.0 0.69444 0.12500 0.66161 1.0000 + O O83 1.0 0.73611 0.16667 0.66161 1.0000 + O O84 1.0 0.77778 0.20833 0.66161 1.0000 + O O85 1.0 0.36111 0.70833 0.66161 1.0000 + O O86 1.0 0.40278 0.75000 0.66161 1.0000 + O O87 1.0 0.44444 0.79167 0.66161 1.0000 + O O88 1.0 0.48611 0.83333 0.66161 1.0000 + O O89 1.0 0.52778 0.87500 0.66161 1.0000 + O O90 1.0 0.56944 0.91667 0.66161 1.0000 + O O91 1.0 0.61111 0.95833 0.66161 1.0000 + O O92 1.0 0.65278 0.00000 0.66161 1.0000 + O O93 1.0 0.69444 0.04167 0.66161 1.0000 + O O94 1.0 0.73611 0.08333 0.66161 1.0000 + O O95 1.0 0.77778 0.12500 0.66161 1.0000 + O O96 1.0 0.81944 0.16667 0.66161 1.0000 + O O97 1.0 0.40278 0.66667 0.66161 1.0000 + O O98 1.0 0.44444 0.70833 0.66161 1.0000 + O O99 1.0 0.48611 0.75000 0.66161 1.0000 + O O100 1.0 0.52778 0.79167 0.66161 1.0000 + O O101 1.0 0.56944 0.83333 0.66161 1.0000 + O O102 1.0 0.61111 0.87500 0.66161 1.0000 + O O103 1.0 0.65278 0.91667 0.66161 1.0000 + O O104 1.0 0.69444 0.95833 0.66161 1.0000 + O O105 1.0 0.73611 0.00000 0.66161 1.0000 + O O106 1.0 0.77778 0.04167 0.66161 1.0000 + O O107 1.0 0.81944 0.08333 0.66161 1.0000 + O O108 1.0 0.86111 0.12500 0.66161 1.0000 + O O109 1.0 0.44444 0.62500 0.66161 1.0000 + O O110 1.0 0.48611 0.66667 0.66161 1.0000 + O O111 1.0 0.52778 0.70833 0.66161 1.0000 + O O112 1.0 0.56944 0.75000 0.66161 1.0000 + O O113 1.0 0.61111 0.79167 0.66161 1.0000 + O O114 1.0 0.65278 0.83333 0.66161 1.0000 + O O115 1.0 0.69444 0.87500 0.66161 1.0000 + O O116 1.0 0.73611 0.91667 0.66161 1.0000 + O O117 1.0 0.77778 0.95833 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0.33772 1.0000 + O O1113 1.0 0.72246 0.00000 0.33772 1.0000 + O O1114 1.0 0.76413 0.04167 0.33772 1.0000 + O O1115 1.0 0.80580 0.08333 0.33772 1.0000 + O O1116 1.0 0.84746 0.12500 0.33772 1.0000 + O O1117 1.0 0.43080 0.62500 0.33772 1.0000 + O O1118 1.0 0.47246 0.66667 0.33772 1.0000 + O O1119 1.0 0.51413 0.70833 0.33772 1.0000 + O O1120 1.0 0.55580 0.75000 0.33772 1.0000 + O O1121 1.0 0.59746 0.79167 0.33772 1.0000 + O O1122 1.0 0.63913 0.83333 0.33772 1.0000 + O O1123 1.0 0.68080 0.87500 0.33772 1.0000 + O O1124 1.0 0.72246 0.91667 0.33772 1.0000 + O O1125 1.0 0.76413 0.95833 0.33772 1.0000 + O O1126 1.0 0.80580 0.00000 0.33772 1.0000 + O O1127 1.0 0.84746 0.04167 0.33772 1.0000 + O O1128 1.0 0.88913 0.08333 0.33772 1.0000 + O O1129 1.0 0.47246 0.58333 0.33772 1.0000 + O O1130 1.0 0.51413 0.62500 0.33772 1.0000 + O O1131 1.0 0.55580 0.66667 0.33772 1.0000 + O O1132 1.0 0.59746 0.70833 0.33772 1.0000 + O O1133 1.0 0.63913 0.75000 0.33772 1.0000 + O O1134 1.0 0.68080 0.79167 0.33772 1.0000 + O O1135 1.0 0.72246 0.83333 0.33772 1.0000 + O O1136 1.0 0.76413 0.87500 0.33772 1.0000 + O O1137 1.0 0.80580 0.91667 0.33772 1.0000 + O O1138 1.0 0.84746 0.95833 0.33772 1.0000 + O O1139 1.0 0.88913 0.00000 0.33772 1.0000 + O O1140 1.0 0.93080 0.04167 0.33772 1.0000 + O O1141 1.0 0.51413 0.54167 0.33772 1.0000 + O O1142 1.0 0.55580 0.58333 0.33772 1.0000 + O O1143 1.0 0.59746 0.62500 0.33772 1.0000 + O O1144 1.0 0.63913 0.66667 0.33772 1.0000 + O O1145 1.0 0.68080 0.70833 0.33772 1.0000 + O O1146 1.0 0.72246 0.75000 0.33772 1.0000 + O O1147 1.0 0.76413 0.79167 0.33772 1.0000 + O O1148 1.0 0.80580 0.83333 0.33772 1.0000 + O O1149 1.0 0.84746 0.87500 0.33772 1.0000 + O O1150 1.0 0.88913 0.91667 0.33772 1.0000 + O O1151 1.0 0.93080 0.95833 0.33772 1.0000 + O O1152 1.0 0.97246 0.00000 0.33772 1.0000 + Ti Ti145 1.0 0.54167 0.50000 0.50000 1.0000 + Ti Ti146 1.0 0.58333 0.54167 0.50000 1.0000 + Ti Ti147 1.0 0.62500 0.58333 0.50000 1.0000 + Ti Ti148 1.0 0.66667 0.62500 0.50000 1.0000 + Ti Ti149 1.0 0.70833 0.66667 0.50000 1.0000 + Ti Ti150 1.0 0.75000 0.70833 0.50000 1.0000 + Ti Ti151 1.0 0.79167 0.75000 0.50000 1.0000 + Ti Ti152 1.0 0.83333 0.79167 0.50000 1.0000 + Ti Ti153 1.0 0.87500 0.83333 0.50000 1.0000 + Ti Ti154 1.0 0.91667 0.87500 0.50000 1.0000 + Ti Ti155 1.0 0.95833 0.91667 0.50000 1.0000 + Ti Ti156 1.0 0.00000 0.95833 0.50000 1.0000 + Ti Ti157 1.0 0.58333 0.45833 0.50000 1.0000 + Ti Ti158 1.0 0.62500 0.50000 0.50000 1.0000 + Ti Ti159 1.0 0.66667 0.54167 0.50000 1.0000 + Ti Ti160 1.0 0.70833 0.58333 0.50000 1.0000 + Ti Ti161 1.0 0.75000 0.62500 0.50000 1.0000 + Ti Ti162 1.0 0.79167 0.66667 0.50000 1.0000 + Ti Ti163 1.0 0.83333 0.70833 0.50000 1.0000 + Ti Ti164 1.0 0.87500 0.75000 0.50000 1.0000 + Ti Ti165 1.0 0.91667 0.79167 0.50000 1.0000 + Ti Ti166 1.0 0.95833 0.83333 0.50000 1.0000 + Ti Ti167 1.0 0.00000 0.87500 0.50000 1.0000 + Ti Ti168 1.0 0.04167 0.91667 0.50000 1.0000 + Ti Ti169 1.0 0.62500 0.41667 0.50000 1.0000 + Ti Ti170 1.0 0.66667 0.45833 0.50000 1.0000 + Ti Ti171 1.0 0.70833 0.50000 0.50000 1.0000 + Ti Ti172 1.0 0.75000 0.54167 0.50000 1.0000 + Ti Ti173 1.0 0.79167 0.58333 0.50000 1.0000 + Ti Ti174 1.0 0.83333 0.62500 0.50000 1.0000 + Ti Ti175 1.0 0.87500 0.66667 0.50000 1.0000 + Ti Ti176 1.0 0.91667 0.70833 0.50000 1.0000 + Ti Ti177 1.0 0.95833 0.75000 0.50000 1.0000 + Ti Ti178 1.0 0.00000 0.79167 0.50000 1.0000 + Ti Ti179 1.0 0.04167 0.83333 0.50000 1.0000 + Ti Ti180 1.0 0.08333 0.87500 0.50000 1.0000 + Ti Ti181 1.0 0.66667 0.37500 0.50000 1.0000 + Ti Ti182 1.0 0.70833 0.41667 0.50000 1.0000 + Ti Ti183 1.0 0.75000 0.45833 0.50000 1.0000 + Ti Ti184 1.0 0.79167 0.50000 0.50000 1.0000 + Ti Ti185 1.0 0.83333 0.54167 0.50000 1.0000 + Ti Ti186 1.0 0.87500 0.58333 0.50000 1.0000 + Ti Ti187 1.0 0.91667 0.62500 0.50000 1.0000 + Ti Ti188 1.0 0.95833 0.66667 0.50000 1.0000 + Ti Ti189 1.0 0.00000 0.70833 0.50000 1.0000 + Ti Ti190 1.0 0.04167 0.75000 0.50000 1.0000 + Ti Ti191 1.0 0.08333 0.79167 0.50000 1.0000 + Ti Ti192 1.0 0.12500 0.83333 0.50000 1.0000 + Ti Ti193 1.0 0.70833 0.33333 0.50000 1.0000 + Ti Ti194 1.0 0.75000 0.37500 0.50000 1.0000 + Ti Ti195 1.0 0.79167 0.41667 0.50000 1.0000 + Ti Ti196 1.0 0.83333 0.45833 0.50000 1.0000 + Ti Ti197 1.0 0.87500 0.50000 0.50000 1.0000 + Ti Ti198 1.0 0.91667 0.54167 0.50000 1.0000 + Ti Ti199 1.0 0.95833 0.58333 0.50000 1.0000 + Ti Ti200 1.0 0.00000 0.62500 0.50000 1.0000 + Ti Ti201 1.0 0.04167 0.66667 0.50000 1.0000 + Ti Ti202 1.0 0.08333 0.70833 0.50000 1.0000 + Ti Ti203 1.0 0.12500 0.75000 0.50000 1.0000 + Ti Ti204 1.0 0.16667 0.79167 0.50000 1.0000 + Ti Ti205 1.0 0.75000 0.29167 0.50000 1.0000 + Ti Ti206 1.0 0.79167 0.33333 0.50000 1.0000 + Ti Ti207 1.0 0.83333 0.37500 0.50000 1.0000 + Ti Ti208 1.0 0.87500 0.41667 0.50000 1.0000 + Ti Ti209 1.0 0.91667 0.45833 0.50000 1.0000 + Ti Ti210 1.0 0.95833 0.50000 0.50000 1.0000 + Ti Ti211 1.0 0.00000 0.54167 0.50000 1.0000 + Ti Ti212 1.0 0.04167 0.58333 0.50000 1.0000 + Ti Ti213 1.0 0.08333 0.62500 0.50000 1.0000 + Ti Ti214 1.0 0.12500 0.66667 0.50000 1.0000 + Ti Ti215 1.0 0.16667 0.70833 0.50000 1.0000 + Ti Ti216 1.0 0.20833 0.75000 0.50000 1.0000 + Ti Ti217 1.0 0.79167 0.25000 0.50000 1.0000 + Ti Ti218 1.0 0.83333 0.29167 0.50000 1.0000 + Ti Ti219 1.0 0.87500 0.33333 0.50000 1.0000 + Ti Ti220 1.0 0.91667 0.37500 0.50000 1.0000 + Ti Ti221 1.0 0.95833 0.41667 0.50000 1.0000 + Ti Ti222 1.0 0.00000 0.45833 0.50000 1.0000 + Ti Ti223 1.0 0.04167 0.50000 0.50000 1.0000 + Ti Ti224 1.0 0.08333 0.54167 0.50000 1.0000 + Ti Ti225 1.0 0.12500 0.58333 0.50000 1.0000 + Ti Ti226 1.0 0.16667 0.62500 0.50000 1.0000 + Ti Ti227 1.0 0.20833 0.66667 0.50000 1.0000 + Ti Ti228 1.0 0.25000 0.70833 0.50000 1.0000 + Ti Ti229 1.0 0.83333 0.20833 0.50000 1.0000 + Ti Ti230 1.0 0.87500 0.25000 0.50000 1.0000 + Ti Ti231 1.0 0.91667 0.29167 0.50000 1.0000 + Ti Ti232 1.0 0.95833 0.33333 0.50000 1.0000 + Ti Ti233 1.0 0.00000 0.37500 0.50000 1.0000 + Ti Ti234 1.0 0.04167 0.41667 0.50000 1.0000 + Ti Ti235 1.0 0.08333 0.45833 0.50000 1.0000 + Ti Ti236 1.0 0.12500 0.50000 0.50000 1.0000 + Ti Ti237 1.0 0.16667 0.54167 0.50000 1.0000 + Ti Ti238 1.0 0.20833 0.58333 0.50000 1.0000 + Ti Ti239 1.0 0.25000 0.62500 0.50000 1.0000 + Ti Ti240 1.0 0.29167 0.66667 0.50000 1.0000 + Ti Ti241 1.0 0.87500 0.16667 0.50000 1.0000 + Ti Ti242 1.0 0.91667 0.20833 0.50000 1.0000 + Ti Ti243 1.0 0.95833 0.25000 0.50000 1.0000 + Ti Ti244 1.0 0.00000 0.29167 0.50000 1.0000 + Ti Ti245 1.0 0.04167 0.33333 0.50000 1.0000 + Ti Ti246 1.0 0.08333 0.37500 0.50000 1.0000 + Ti Ti247 1.0 0.12500 0.41667 0.50000 1.0000 + Ti Ti248 1.0 0.16667 0.45833 0.50000 1.0000 + Ti Ti249 1.0 0.20833 0.50000 0.50000 1.0000 + Ti Ti250 1.0 0.25000 0.54167 0.50000 1.0000 + Ti Ti251 1.0 0.29167 0.58333 0.50000 1.0000 + Ti Ti252 1.0 0.33333 0.62500 0.50000 1.0000 + Ti Ti253 1.0 0.91667 0.12500 0.50000 1.0000 + Ti Ti254 1.0 0.95833 0.16667 0.50000 1.0000 + Ti Ti255 1.0 0.00000 0.20833 0.50000 1.0000 + Ti Ti256 1.0 0.04167 0.25000 0.50000 1.0000 + Ti Ti257 1.0 0.08333 0.29167 0.50000 1.0000 + Ti Ti258 1.0 0.12500 0.33333 0.50000 1.0000 + Ti Ti259 1.0 0.16667 0.37500 0.50000 1.0000 + Ti Ti260 1.0 0.20833 0.41667 0.50000 1.0000 + Ti Ti261 1.0 0.25000 0.45833 0.50000 1.0000 + Ti Ti262 1.0 0.29167 0.50000 0.50000 1.0000 + Ti Ti263 1.0 0.33333 0.54167 0.50000 1.0000 + Ti Ti264 1.0 0.37500 0.58333 0.50000 1.0000 + Ti Ti265 1.0 0.95833 0.08333 0.50000 1.0000 + Ti Ti266 1.0 0.00000 0.12500 0.50000 1.0000 + Ti Ti267 1.0 0.04167 0.16667 0.50000 1.0000 + Ti Ti268 1.0 0.08333 0.20833 0.50000 1.0000 + Ti Ti269 1.0 0.12500 0.25000 0.50000 1.0000 + Ti Ti270 1.0 0.16667 0.29167 0.50000 1.0000 + Ti Ti271 1.0 0.20833 0.33333 0.50000 1.0000 + Ti Ti272 1.0 0.25000 0.37500 0.50000 1.0000 + Ti Ti273 1.0 0.29167 0.41667 0.50000 1.0000 + Ti Ti274 1.0 0.33333 0.45833 0.50000 1.0000 + Ti Ti275 1.0 0.37500 0.50000 0.50000 1.0000 + Ti Ti276 1.0 0.41667 0.54167 0.50000 1.0000 + Ti Ti277 1.0 0.00000 0.04167 0.50000 1.0000 + Ti Ti278 1.0 0.04167 0.08333 0.50000 1.0000 + Ti Ti279 1.0 0.08333 0.12500 0.50000 1.0000 + Ti Ti280 1.0 0.12500 0.16667 0.50000 1.0000 + Ti Ti281 1.0 0.16667 0.20833 0.50000 1.0000 + Ti Ti282 1.0 0.20833 0.25000 0.50000 1.0000 + Ti Ti283 1.0 0.25000 0.29167 0.50000 1.0000 + Ti Ti284 1.0 0.29167 0.33333 0.50000 1.0000 + Ti Ti285 1.0 0.33333 0.37500 0.50000 1.0000 + Ti Ti286 1.0 0.37500 0.41667 0.50000 1.0000 + Ti Ti287 1.0 0.41667 0.45833 0.50000 1.0000 + Ti Ti288 1.0 0.45833 0.50000 0.50000 1.0000 + Mn Mn433 1.0 0.52083 0.47917 0.50000 1.0000 + Mn Mn434 1.0 0.56250 0.52083 0.50000 1.0000 + Mn Mn435 1.0 0.60417 0.56250 0.50000 1.0000 + Mn Mn436 1.0 0.64583 0.60417 0.50000 1.0000 + Mn Mn437 1.0 0.68750 0.64583 0.50000 1.0000 + Mn Mn438 1.0 0.72917 0.68750 0.50000 1.0000 + Mn Mn439 1.0 0.77083 0.72917 0.50000 1.0000 + Mn Mn440 1.0 0.81250 0.77083 0.50000 1.0000 + Mn Mn441 1.0 0.85417 0.81250 0.50000 1.0000 + Mn Mn442 1.0 0.89583 0.85417 0.50000 1.0000 + Mn Mn443 1.0 0.93750 0.89583 0.50000 1.0000 + Mn Mn444 1.0 0.97917 0.93750 0.50000 1.0000 + Mn Mn445 1.0 0.56250 0.43750 0.50000 1.0000 + Mn Mn446 1.0 0.60417 0.47917 0.50000 1.0000 + Mn Mn447 1.0 0.64583 0.52083 0.50000 1.0000 + Mn Mn448 1.0 0.68750 0.56250 0.50000 1.0000 + Mn Mn449 1.0 0.72917 0.60417 0.50000 1.0000 + Mn Mn450 1.0 0.77083 0.64583 0.50000 1.0000 + Mn Mn451 1.0 0.81250 0.68750 0.50000 1.0000 + Mn Mn452 1.0 0.85417 0.72917 0.50000 1.0000 + Mn Mn453 1.0 0.89583 0.77083 0.50000 1.0000 + Mn Mn454 1.0 0.93750 0.81250 0.50000 1.0000 + Mn Mn455 1.0 0.97917 0.85417 0.50000 1.0000 + Mn Mn456 1.0 0.02083 0.89583 0.50000 1.0000 + Mn Mn457 1.0 0.60417 0.39583 0.50000 1.0000 + Mn Mn458 1.0 0.64583 0.43750 0.50000 1.0000 + Mn Mn459 1.0 0.68750 0.47917 0.50000 1.0000 + Mn Mn460 1.0 0.72917 0.52083 0.50000 1.0000 + Mn Mn461 1.0 0.77083 0.56250 0.50000 1.0000 + Mn Mn462 1.0 0.81250 0.60417 0.50000 1.0000 + Mn Mn463 1.0 0.85417 0.64583 0.50000 1.0000 + Mn Mn464 1.0 0.89583 0.68750 0.50000 1.0000 + Mn Mn465 1.0 0.93750 0.72917 0.50000 1.0000 + Mn Mn466 1.0 0.97917 0.77083 0.50000 1.0000 + Mn Mn467 1.0 0.02083 0.81250 0.50000 1.0000 + Mn Mn468 1.0 0.06250 0.85417 0.50000 1.0000 + Mn Mn469 1.0 0.64583 0.35417 0.50000 1.0000 + Mn Mn470 1.0 0.68750 0.39583 0.50000 1.0000 + Mn Mn471 1.0 0.72917 0.43750 0.50000 1.0000 + Mn Mn472 1.0 0.77083 0.47917 0.50000 1.0000 + Mn Mn473 1.0 0.81250 0.52083 0.50000 1.0000 + Mn Mn474 1.0 0.85417 0.56250 0.50000 1.0000 + Mn Mn475 1.0 0.89583 0.60417 0.50000 1.0000 + Mn Mn476 1.0 0.93750 0.64583 0.50000 1.0000 + Mn Mn477 1.0 0.97917 0.68750 0.50000 1.0000 + Mn Mn478 1.0 0.02083 0.72917 0.50000 1.0000 + Mn Mn479 1.0 0.06250 0.77083 0.50000 1.0000 + Mn Mn480 1.0 0.10417 0.81250 0.50000 1.0000 + Mn Mn481 1.0 0.68750 0.31250 0.50000 1.0000 + Mn Mn482 1.0 0.72917 0.35417 0.50000 1.0000 + Mn Mn483 1.0 0.77083 0.39583 0.50000 1.0000 + Mn Mn484 1.0 0.81250 0.43750 0.50000 1.0000 + Mn Mn485 1.0 0.85417 0.47917 0.50000 1.0000 + Mn Mn486 1.0 0.89583 0.52083 0.50000 1.0000 + Mn Mn487 1.0 0.93750 0.56250 0.50000 1.0000 + Mn Mn488 1.0 0.97917 0.60417 0.50000 1.0000 + Mn Mn489 1.0 0.02083 0.64583 0.50000 1.0000 + Mn Mn490 1.0 0.06250 0.68750 0.50000 1.0000 + Mn Mn491 1.0 0.10417 0.72917 0.50000 1.0000 + Mn Mn492 1.0 0.14583 0.77083 0.50000 1.0000 + Mn Mn493 1.0 0.72917 0.27083 0.50000 1.0000 + Mn Mn494 1.0 0.77083 0.31250 0.50000 1.0000 + Mn Mn495 1.0 0.81250 0.35417 0.50000 1.0000 + Mn Mn496 1.0 0.85417 0.39583 0.50000 1.0000 + Mn Mn497 1.0 0.89583 0.43750 0.50000 1.0000 + Mn Mn498 1.0 0.93750 0.47917 0.50000 1.0000 + Mn Mn499 1.0 0.97917 0.52083 0.50000 1.0000 + Mn Mn500 1.0 0.02083 0.56250 0.50000 1.0000 + Mn Mn501 1.0 0.06250 0.60417 0.50000 1.0000 + Mn Mn502 1.0 0.10417 0.64583 0.50000 1.0000 + Mn Mn503 1.0 0.14583 0.68750 0.50000 1.0000 + Mn Mn504 1.0 0.18750 0.72917 0.50000 1.0000 + Mn Mn505 1.0 0.77083 0.22917 0.50000 1.0000 + Mn Mn506 1.0 0.81250 0.27083 0.50000 1.0000 + Mn Mn507 1.0 0.85417 0.31250 0.50000 1.0000 + Mn Mn508 1.0 0.89583 0.35417 0.50000 1.0000 + Mn Mn509 1.0 0.93750 0.39583 0.50000 1.0000 + Mn Mn510 1.0 0.97917 0.43750 0.50000 1.0000 + Mn Mn511 1.0 0.02083 0.47917 0.50000 1.0000 + Mn Mn512 1.0 0.06250 0.52083 0.50000 1.0000 + Mn Mn513 1.0 0.10417 0.56250 0.50000 1.0000 + Mn Mn514 1.0 0.14583 0.60417 0.50000 1.0000 + Mn Mn515 1.0 0.18750 0.64583 0.50000 1.0000 + Mn Mn516 1.0 0.22917 0.68750 0.50000 1.0000 + Mn Mn517 1.0 0.81250 0.18750 0.50000 1.0000 + Mn Mn518 1.0 0.85417 0.22917 0.50000 1.0000 + Mn Mn519 1.0 0.89583 0.27083 0.50000 1.0000 + Mn Mn520 1.0 0.93750 0.31250 0.50000 1.0000 + Mn Mn521 1.0 0.97917 0.35417 0.50000 1.0000 + Mn Mn522 1.0 0.02083 0.39583 0.50000 1.0000 + Mn Mn523 1.0 0.06250 0.43750 0.50000 1.0000 + Mn Mn524 1.0 0.10417 0.47917 0.50000 1.0000 + Mn Mn525 1.0 0.14583 0.52083 0.50000 1.0000 + Mn Mn526 1.0 0.18750 0.56250 0.50000 1.0000 + Mn Mn527 1.0 0.22917 0.60417 0.50000 1.0000 + Mn Mn528 1.0 0.27083 0.64583 0.50000 1.0000 + Mn Mn529 1.0 0.85417 0.14583 0.50000 1.0000 + Mn Mn530 1.0 0.89583 0.18750 0.50000 1.0000 + Mn Mn531 1.0 0.93750 0.22917 0.50000 1.0000 + Mn Mn532 1.0 0.97917 0.27083 0.50000 1.0000 + Mn Mn533 1.0 0.02083 0.31250 0.50000 1.0000 + Mn Mn534 1.0 0.06250 0.35417 0.50000 1.0000 + Mn Mn535 1.0 0.10417 0.39583 0.50000 1.0000 + Mn Mn536 1.0 0.14583 0.43750 0.50000 1.0000 + Mn Mn537 1.0 0.18750 0.47917 0.50000 1.0000 + Mn Mn538 1.0 0.22917 0.52083 0.50000 1.0000 + Mn Mn539 1.0 0.27083 0.56250 0.50000 1.0000 + Mn Mn540 1.0 0.31250 0.60417 0.50000 1.0000 + Mn Mn541 1.0 0.89583 0.10417 0.50000 1.0000 + Mn Mn542 1.0 0.93750 0.14583 0.50000 1.0000 + Mn Mn543 1.0 0.97917 0.18750 0.50000 1.0000 + Mn Mn544 1.0 0.02083 0.22917 0.50000 1.0000 + Mn Mn545 1.0 0.06250 0.27083 0.50000 1.0000 + Mn Mn546 1.0 0.10417 0.31250 0.50000 1.0000 + Mn Mn547 1.0 0.14583 0.35417 0.50000 1.0000 + Mn Mn548 1.0 0.18750 0.39583 0.50000 1.0000 + Mn Mn549 1.0 0.22917 0.43750 0.50000 1.0000 + Mn Mn550 1.0 0.27083 0.47917 0.50000 1.0000 + Mn Mn551 1.0 0.31250 0.52083 0.50000 1.0000 + Mn Mn552 1.0 0.35417 0.56250 0.50000 1.0000 + Mn Mn553 1.0 0.93750 0.06250 0.50000 1.0000 + Mn Mn554 1.0 0.97917 0.10417 0.50000 1.0000 + Mn Mn555 1.0 0.02083 0.14583 0.50000 1.0000 + Mn Mn556 1.0 0.06250 0.18750 0.50000 1.0000 + Mn Mn557 1.0 0.10417 0.22917 0.50000 1.0000 + Mn Mn558 1.0 0.14583 0.27083 0.50000 1.0000 + Mn Mn559 1.0 0.18750 0.31250 0.50000 1.0000 + Mn Mn560 1.0 0.22917 0.35417 0.50000 1.0000 + Mn Mn561 1.0 0.27083 0.39583 0.50000 1.0000 + Mn Mn562 1.0 0.31250 0.43750 0.50000 1.0000 + Mn Mn563 1.0 0.35417 0.47917 0.50000 1.0000 + Mn Mn564 1.0 0.39583 0.52083 0.50000 1.0000 + Mn Mn565 1.0 0.97917 0.02083 0.50000 1.0000 + Mn Mn566 1.0 0.02083 0.06250 0.50000 1.0000 + Mn Mn567 1.0 0.06250 0.10417 0.50000 1.0000 + Mn Mn568 1.0 0.10417 0.14583 0.50000 1.0000 + Mn Mn569 1.0 0.14583 0.18750 0.50000 1.0000 + Mn Mn570 1.0 0.18750 0.22917 0.50000 1.0000 + Mn Mn571 1.0 0.22917 0.27083 0.50000 1.0000 + Mn Mn572 1.0 0.27083 0.31250 0.50000 1.0000 + Mn Mn573 1.0 0.31250 0.35417 0.50000 1.0000 + Mn Mn574 1.0 0.35417 0.39583 0.50000 1.0000 + Mn Mn575 1.0 0.39583 0.43750 0.50000 1.0000 + Mn Mn576 1.0 0.43750 0.47917 0.50000 1.0000 + Mn Mn577 1.0 0.56250 0.47917 0.50000 1.0000 + Mn Mn578 1.0 0.60417 0.52083 0.50000 1.0000 + Mn Mn579 1.0 0.64583 0.56250 0.50000 1.0000 + Mn Mn580 1.0 0.68750 0.60417 0.50000 1.0000 + Mn Mn581 1.0 0.72917 0.64583 0.50000 1.0000 + Mn Mn582 1.0 0.77083 0.68750 0.50000 1.0000 + Mn Mn583 1.0 0.81250 0.72917 0.50000 1.0000 + Mn Mn584 1.0 0.85417 0.77083 0.50000 1.0000 + Mn Mn585 1.0 0.89583 0.81250 0.50000 1.0000 + Mn Mn586 1.0 0.93750 0.85417 0.50000 1.0000 + Mn Mn587 1.0 0.97917 0.89583 0.50000 1.0000 + Mn Mn588 1.0 0.02083 0.93750 0.50000 1.0000 + Mn Mn589 1.0 0.60417 0.43750 0.50000 1.0000 + Mn Mn590 1.0 0.64583 0.47917 0.50000 1.0000 + Mn Mn591 1.0 0.68750 0.52083 0.50000 1.0000 + Mn Mn592 1.0 0.72917 0.56250 0.50000 1.0000 + Mn Mn593 1.0 0.77083 0.60417 0.50000 1.0000 + Mn Mn594 1.0 0.81250 0.64583 0.50000 1.0000 + Mn Mn595 1.0 0.85417 0.68750 0.50000 1.0000 + Mn Mn596 1.0 0.89583 0.72917 0.50000 1.0000 + Mn Mn597 1.0 0.93750 0.77083 0.50000 1.0000 + Mn Mn598 1.0 0.97917 0.81250 0.50000 1.0000 + Mn Mn599 1.0 0.02083 0.85417 0.50000 1.0000 + Mn Mn600 1.0 0.06250 0.89583 0.50000 1.0000 + Mn Mn601 1.0 0.64583 0.39583 0.50000 1.0000 + Mn Mn602 1.0 0.68750 0.43750 0.50000 1.0000 + Mn Mn603 1.0 0.72917 0.47917 0.50000 1.0000 + Mn Mn604 1.0 0.77083 0.52083 0.50000 1.0000 + Mn Mn605 1.0 0.81250 0.56250 0.50000 1.0000 + Mn Mn606 1.0 0.85417 0.60417 0.50000 1.0000 + Mn Mn607 1.0 0.89583 0.64583 0.50000 1.0000 + Mn Mn608 1.0 0.93750 0.68750 0.50000 1.0000 + Mn Mn609 1.0 0.97917 0.72917 0.50000 1.0000 + Mn Mn610 1.0 0.02083 0.77083 0.50000 1.0000 + Mn Mn611 1.0 0.06250 0.81250 0.50000 1.0000 + Mn Mn612 1.0 0.10417 0.85417 0.50000 1.0000 + Mn Mn613 1.0 0.68750 0.35417 0.50000 1.0000 + Mn Mn614 1.0 0.72917 0.39583 0.50000 1.0000 + Mn Mn615 1.0 0.77083 0.43750 0.50000 1.0000 + Mn Mn616 1.0 0.81250 0.47917 0.50000 1.0000 + Mn Mn617 1.0 0.85417 0.52083 0.50000 1.0000 + Mn Mn618 1.0 0.89583 0.56250 0.50000 1.0000 + Mn Mn619 1.0 0.93750 0.60417 0.50000 1.0000 + Mn Mn620 1.0 0.97917 0.64583 0.50000 1.0000 + Mn Mn621 1.0 0.02083 0.68750 0.50000 1.0000 + Mn Mn622 1.0 0.06250 0.72917 0.50000 1.0000 + Mn Mn623 1.0 0.10417 0.77083 0.50000 1.0000 + Mn Mn624 1.0 0.14583 0.81250 0.50000 1.0000 + Mn Mn625 1.0 0.72917 0.31250 0.50000 1.0000 + Mn Mn626 1.0 0.77083 0.35417 0.50000 1.0000 + Mn Mn627 1.0 0.81250 0.39583 0.50000 1.0000 + Mn Mn628 1.0 0.85417 0.43750 0.50000 1.0000 + Mn Mn629 1.0 0.89583 0.47917 0.50000 1.0000 + Mn Mn630 1.0 0.93750 0.52083 0.50000 1.0000 + Mn Mn631 1.0 0.97917 0.56250 0.50000 1.0000 + Mn Mn632 1.0 0.02083 0.60417 0.50000 1.0000 + Mn Mn633 1.0 0.06250 0.64583 0.50000 1.0000 + Mn Mn634 1.0 0.10417 0.68750 0.50000 1.0000 + Mn Mn635 1.0 0.14583 0.72917 0.50000 1.0000 + Mn Mn636 1.0 0.18750 0.77083 0.50000 1.0000 + Mn Mn637 1.0 0.77083 0.27083 0.50000 1.0000 + Mn Mn638 1.0 0.81250 0.31250 0.50000 1.0000 + Mn Mn639 1.0 0.85417 0.35417 0.50000 1.0000 + Mn Mn640 1.0 0.89583 0.39583 0.50000 1.0000 + Mn Mn641 1.0 0.93750 0.43750 0.50000 1.0000 + Mn Mn642 1.0 0.97917 0.47917 0.50000 1.0000 + Mn Mn643 1.0 0.02083 0.52083 0.50000 1.0000 + Mn Mn644 1.0 0.06250 0.56250 0.50000 1.0000 + Mn Mn645 1.0 0.10417 0.60417 0.50000 1.0000 + Mn Mn646 1.0 0.14583 0.64583 0.50000 1.0000 + Mn Mn647 1.0 0.18750 0.68750 0.50000 1.0000 + Mn Mn648 1.0 0.22917 0.72917 0.50000 1.0000 + Mn Mn649 1.0 0.81250 0.22917 0.50000 1.0000 + Mn Mn650 1.0 0.85417 0.27083 0.50000 1.0000 + Mn Mn651 1.0 0.89583 0.31250 0.50000 1.0000 + Mn Mn652 1.0 0.93750 0.35417 0.50000 1.0000 + Mn Mn653 1.0 0.97917 0.39583 0.50000 1.0000 + Mn Mn654 1.0 0.02083 0.43750 0.50000 1.0000 + Mn Mn655 1.0 0.06250 0.47917 0.50000 1.0000 + Mn Mn656 1.0 0.10417 0.52083 0.50000 1.0000 + Mn Mn657 1.0 0.14583 0.56250 0.50000 1.0000 + Mn Mn658 1.0 0.18750 0.60417 0.50000 1.0000 + Mn Mn659 1.0 0.22917 0.64583 0.50000 1.0000 + Mn Mn660 1.0 0.27083 0.68750 0.50000 1.0000 + Mn Mn661 1.0 0.85417 0.18750 0.50000 1.0000 + Mn Mn662 1.0 0.89583 0.22917 0.50000 1.0000 + Mn Mn663 1.0 0.93750 0.27083 0.50000 1.0000 + Mn Mn664 1.0 0.97917 0.31250 0.50000 1.0000 + Mn Mn665 1.0 0.02083 0.35417 0.50000 1.0000 + Mn Mn666 1.0 0.06250 0.39583 0.50000 1.0000 + Mn Mn667 1.0 0.10417 0.43750 0.50000 1.0000 + Mn Mn668 1.0 0.14583 0.47917 0.50000 1.0000 + Mn Mn669 1.0 0.18750 0.52083 0.50000 1.0000 + Mn Mn670 1.0 0.22917 0.56250 0.50000 1.0000 + Mn Mn671 1.0 0.27083 0.60417 0.50000 1.0000 + Mn Mn672 1.0 0.31250 0.64583 0.50000 1.0000 + Mn Mn673 1.0 0.89583 0.14583 0.50000 1.0000 + Mn Mn674 1.0 0.93750 0.18750 0.50000 1.0000 + Mn Mn675 1.0 0.97917 0.22917 0.50000 1.0000 + Mn Mn676 1.0 0.02083 0.27083 0.50000 1.0000 + Mn Mn677 1.0 0.06250 0.31250 0.50000 1.0000 + Mn Mn678 1.0 0.10417 0.35417 0.50000 1.0000 + Mn Mn679 1.0 0.14583 0.39583 0.50000 1.0000 + Mn Mn680 1.0 0.18750 0.43750 0.50000 1.0000 + Mn Mn681 1.0 0.22917 0.47917 0.50000 1.0000 + Mn Mn682 1.0 0.27083 0.52083 0.50000 1.0000 + Mn Mn683 1.0 0.31250 0.56250 0.50000 1.0000 + Mn Mn684 1.0 0.35417 0.60417 0.50000 1.0000 + Mn Mn685 1.0 0.93750 0.10417 0.50000 1.0000 + Mn Mn686 1.0 0.97917 0.14583 0.50000 1.0000 + Mn Mn687 1.0 0.02083 0.18750 0.50000 1.0000 + Mn Mn688 1.0 0.06250 0.22917 0.50000 1.0000 + Mn Mn689 1.0 0.10417 0.27083 0.50000 1.0000 + Mn Mn690 1.0 0.14583 0.31250 0.50000 1.0000 + Mn Mn691 1.0 0.18750 0.35417 0.50000 1.0000 + Mn Mn692 1.0 0.22917 0.39583 0.50000 1.0000 + Mn Mn693 1.0 0.27083 0.43750 0.50000 1.0000 + Mn Mn694 1.0 0.31250 0.47917 0.50000 1.0000 + Mn Mn695 1.0 0.35417 0.52083 0.50000 1.0000 + Mn Mn696 1.0 0.39583 0.56250 0.50000 1.0000 + Mn Mn697 1.0 0.97917 0.06250 0.50000 1.0000 + Mn Mn698 1.0 0.02083 0.10417 0.50000 1.0000 + Mn Mn699 1.0 0.06250 0.14583 0.50000 1.0000 + Mn Mn700 1.0 0.10417 0.18750 0.50000 1.0000 + Mn Mn701 1.0 0.14583 0.22917 0.50000 1.0000 + Mn Mn702 1.0 0.18750 0.27083 0.50000 1.0000 + Mn Mn703 1.0 0.22917 0.31250 0.50000 1.0000 + Mn Mn704 1.0 0.27083 0.35417 0.50000 1.0000 + Mn Mn705 1.0 0.31250 0.39583 0.50000 1.0000 + Mn Mn706 1.0 0.35417 0.43750 0.50000 1.0000 + Mn Mn707 1.0 0.39583 0.47917 0.50000 1.0000 + Mn Mn708 1.0 0.43750 0.52083 0.50000 1.0000 + Mn Mn709 1.0 0.02083 0.02083 0.50000 1.0000 + Mn Mn710 1.0 0.06250 0.06250 0.50000 1.0000 + Mn Mn711 1.0 0.10417 0.10417 0.50000 1.0000 + Mn Mn712 1.0 0.14583 0.14583 0.50000 1.0000 + Mn Mn713 1.0 0.18750 0.18750 0.50000 1.0000 + Mn Mn714 1.0 0.22917 0.22917 0.50000 1.0000 + Mn Mn715 1.0 0.27083 0.27083 0.50000 1.0000 + Mn Mn716 1.0 0.31250 0.31250 0.50000 1.0000 + Mn Mn717 1.0 0.35417 0.35417 0.50000 1.0000 + Mn Mn718 1.0 0.39583 0.39583 0.50000 1.0000 + Mn Mn719 1.0 0.43750 0.43750 0.50000 1.0000 + Mn Mn720 1.0 0.47917 0.47917 0.50000 1.0000 + Mn Mn721 1.0 0.54167 0.45833 0.50000 1.0000 + Mn Mn722 1.0 0.58333 0.50000 0.50000 1.0000 + Mn Mn723 1.0 0.62500 0.54167 0.50000 1.0000 + Mn Mn724 1.0 0.66667 0.58333 0.50000 1.0000 + Mn Mn725 1.0 0.70833 0.62500 0.50000 1.0000 + Mn Mn726 1.0 0.75000 0.66667 0.50000 1.0000 + Mn Mn727 1.0 0.79167 0.70833 0.50000 1.0000 + Mn Mn728 1.0 0.83333 0.75000 0.50000 1.0000 + Mn Mn729 1.0 0.87500 0.79167 0.50000 1.0000 + Mn Mn730 1.0 0.91667 0.83333 0.50000 1.0000 + Mn Mn731 1.0 0.95833 0.87500 0.50000 1.0000 + Mn Mn732 1.0 1.00000 0.91667 0.50000 1.0000 + Mn Mn733 1.0 0.58333 0.41667 0.50000 1.0000 + Mn Mn734 1.0 0.62500 0.45833 0.50000 1.0000 + Mn Mn735 1.0 0.66667 0.50000 0.50000 1.0000 + Mn Mn736 1.0 0.70833 0.54167 0.50000 1.0000 + Mn Mn737 1.0 0.75000 0.58333 0.50000 1.0000 + Mn Mn738 1.0 0.79167 0.62500 0.50000 1.0000 + Mn Mn739 1.0 0.83333 0.66667 0.50000 1.0000 + Mn Mn740 1.0 0.87500 0.70833 0.50000 1.0000 + Mn Mn741 1.0 0.91667 0.75000 0.50000 1.0000 + Mn Mn742 1.0 0.95833 0.79167 0.50000 1.0000 + Mn Mn743 1.0 1.00000 0.83333 0.50000 1.0000 + Mn Mn744 1.0 0.04167 0.87500 0.50000 1.0000 + Mn Mn745 1.0 0.62500 0.37500 0.50000 1.0000 + Mn Mn746 1.0 0.66667 0.41667 0.50000 1.0000 + Mn Mn747 1.0 0.70833 0.45833 0.50000 1.0000 + Mn Mn748 1.0 0.75000 0.50000 0.50000 1.0000 + Mn Mn749 1.0 0.79167 0.54167 0.50000 1.0000 + Mn Mn750 1.0 0.83333 0.58333 0.50000 1.0000 + Mn Mn751 1.0 0.87500 0.62500 0.50000 1.0000 + Mn Mn752 1.0 0.91667 0.66667 0.50000 1.0000 + Mn Mn753 1.0 0.95833 0.70833 0.50000 1.0000 + Mn Mn754 1.0 1.00000 0.75000 0.50000 1.0000 + Mn Mn755 1.0 0.04167 0.79167 0.50000 1.0000 + Mn Mn756 1.0 0.08333 0.83333 0.50000 1.0000 + Mn Mn757 1.0 0.66667 0.33333 0.50000 1.0000 + Mn Mn758 1.0 0.70833 0.37500 0.50000 1.0000 + Mn Mn759 1.0 0.75000 0.41667 0.50000 1.0000 + Mn Mn760 1.0 0.79167 0.45833 0.50000 1.0000 + Mn Mn761 1.0 0.83333 0.50000 0.50000 1.0000 + Mn Mn762 1.0 0.87500 0.54167 0.50000 1.0000 + Mn Mn763 1.0 0.91667 0.58333 0.50000 1.0000 + Mn Mn764 1.0 0.95833 0.62500 0.50000 1.0000 + Mn Mn765 1.0 1.00000 0.66667 0.50000 1.0000 + Mn Mn766 1.0 0.04167 0.70833 0.50000 1.0000 + Mn Mn767 1.0 0.08333 0.75000 0.50000 1.0000 + Mn Mn768 1.0 0.12500 0.79167 0.50000 1.0000 + Mn Mn769 1.0 0.70833 0.29167 0.50000 1.0000 + Mn Mn770 1.0 0.75000 0.33333 0.50000 1.0000 + Mn Mn771 1.0 0.79167 0.37500 0.50000 1.0000 + Mn Mn772 1.0 0.83333 0.41667 0.50000 1.0000 + Mn Mn773 1.0 0.87500 0.45833 0.50000 1.0000 + Mn Mn774 1.0 0.91667 0.50000 0.50000 1.0000 + Mn Mn775 1.0 0.95833 0.54167 0.50000 1.0000 + Mn Mn776 1.0 1.00000 0.58333 0.50000 1.0000 + Mn Mn777 1.0 0.04167 0.62500 0.50000 1.0000 + Mn Mn778 1.0 0.08333 0.66667 0.50000 1.0000 + Mn Mn779 1.0 0.12500 0.70833 0.50000 1.0000 + Mn Mn780 1.0 0.16667 0.75000 0.50000 1.0000 + Mn Mn781 1.0 0.75000 0.25000 0.50000 1.0000 + Mn Mn782 1.0 0.79167 0.29167 0.50000 1.0000 + Mn Mn783 1.0 0.83333 0.33333 0.50000 1.0000 + Mn Mn784 1.0 0.87500 0.37500 0.50000 1.0000 + Mn Mn785 1.0 0.91667 0.41667 0.50000 1.0000 + Mn Mn786 1.0 0.95833 0.45833 0.50000 1.0000 + Mn Mn787 1.0 1.00000 0.50000 0.50000 1.0000 + Mn Mn788 1.0 0.04167 0.54167 0.50000 1.0000 + Mn Mn789 1.0 0.08333 0.58333 0.50000 1.0000 + Mn Mn790 1.0 0.12500 0.62500 0.50000 1.0000 + Mn Mn791 1.0 0.16667 0.66667 0.50000 1.0000 + Mn Mn792 1.0 0.20833 0.70833 0.50000 1.0000 + Mn Mn793 1.0 0.79167 0.20833 0.50000 1.0000 + Mn Mn794 1.0 0.83333 0.25000 0.50000 1.0000 + Mn Mn795 1.0 0.87500 0.29167 0.50000 1.0000 + Mn Mn796 1.0 0.91667 0.33333 0.50000 1.0000 + Mn Mn797 1.0 0.95833 0.37500 0.50000 1.0000 + Mn Mn798 1.0 1.00000 0.41667 0.50000 1.0000 + Mn Mn799 1.0 0.04167 0.45833 0.50000 1.0000 + Mn Mn800 1.0 0.08333 0.50000 0.50000 1.0000 + Mn Mn801 1.0 0.12500 0.54167 0.50000 1.0000 + Mn Mn802 1.0 0.16667 0.58333 0.50000 1.0000 + Mn Mn803 1.0 0.20833 0.62500 0.50000 1.0000 + Mn Mn804 1.0 0.25000 0.66667 0.50000 1.0000 + Mn Mn805 1.0 0.83333 0.16667 0.50000 1.0000 + Mn Mn806 1.0 0.87500 0.20833 0.50000 1.0000 + Mn Mn807 1.0 0.91667 0.25000 0.50000 1.0000 + Mn Mn808 1.0 0.95833 0.29167 0.50000 1.0000 + Mn Mn809 1.0 1.00000 0.33333 0.50000 1.0000 + Mn Mn810 1.0 0.04167 0.37500 0.50000 1.0000 + Mn Mn811 1.0 0.08333 0.41667 0.50000 1.0000 + Mn Mn812 1.0 0.12500 0.45833 0.50000 1.0000 + Mn Mn813 1.0 0.16667 0.50000 0.50000 1.0000 + Mn Mn814 1.0 0.20833 0.54167 0.50000 1.0000 + Mn Mn815 1.0 0.25000 0.58333 0.50000 1.0000 + Mn Mn816 1.0 0.29167 0.62500 0.50000 1.0000 + Mn Mn817 1.0 0.87500 0.12500 0.50000 1.0000 + Mn Mn818 1.0 0.91667 0.16667 0.50000 1.0000 + Mn Mn819 1.0 0.95833 0.20833 0.50000 1.0000 + Mn Mn820 1.0 1.00000 0.25000 0.50000 1.0000 + Mn Mn821 1.0 0.04167 0.29167 0.50000 1.0000 + Mn Mn822 1.0 0.08333 0.33333 0.50000 1.0000 + Mn Mn823 1.0 0.12500 0.37500 0.50000 1.0000 + Mn Mn824 1.0 0.16667 0.41667 0.50000 1.0000 + Mn Mn825 1.0 0.20833 0.45833 0.50000 1.0000 + Mn Mn826 1.0 0.25000 0.50000 0.50000 1.0000 + Mn Mn827 1.0 0.29167 0.54167 0.50000 1.0000 + Mn Mn828 1.0 0.33333 0.58333 0.50000 1.0000 + Mn Mn829 1.0 0.91667 0.08333 0.50000 1.0000 + Mn Mn830 1.0 0.95833 0.12500 0.50000 1.0000 + Mn Mn831 1.0 1.00000 0.16667 0.50000 1.0000 + Mn Mn832 1.0 0.04167 0.20833 0.50000 1.0000 + Mn Mn833 1.0 0.08333 0.25000 0.50000 1.0000 + Mn Mn834 1.0 0.12500 0.29167 0.50000 1.0000 + Mn Mn835 1.0 0.16667 0.33333 0.50000 1.0000 + Mn Mn836 1.0 0.20833 0.37500 0.50000 1.0000 + Mn Mn837 1.0 0.25000 0.41667 0.50000 1.0000 + Mn Mn838 1.0 0.29167 0.45833 0.50000 1.0000 + Mn Mn839 1.0 0.33333 0.50000 0.50000 1.0000 + Mn Mn840 1.0 0.37500 0.54167 0.50000 1.0000 + Mn Mn841 1.0 0.95833 0.04167 0.50000 1.0000 + Mn Mn842 1.0 1.00000 0.08333 0.50000 1.0000 + Mn Mn843 1.0 0.04167 0.12500 0.50000 1.0000 + Mn Mn844 1.0 0.08333 0.16667 0.50000 1.0000 + Mn Mn845 1.0 0.12500 0.20833 0.50000 1.0000 + Mn Mn846 1.0 0.16667 0.25000 0.50000 1.0000 + Mn Mn847 1.0 0.20833 0.29167 0.50000 1.0000 + Mn Mn848 1.0 0.25000 0.33333 0.50000 1.0000 + Mn Mn849 1.0 0.29167 0.37500 0.50000 1.0000 + Mn Mn850 1.0 0.33333 0.41667 0.50000 1.0000 + Mn Mn851 1.0 0.37500 0.45833 0.50000 1.0000 + Mn Mn852 1.0 0.41667 0.50000 0.50000 1.0000 + Mn Mn853 1.0 1.00000 0.00000 0.50000 1.0000 + Mn Mn854 1.0 0.04167 0.04167 0.50000 1.0000 + Mn Mn855 1.0 0.08333 0.08333 0.50000 1.0000 + Mn Mn856 1.0 0.12500 0.12500 0.50000 1.0000 + Mn Mn857 1.0 0.16667 0.16667 0.50000 1.0000 + Mn Mn858 1.0 0.20833 0.20833 0.50000 1.0000 + Mn Mn859 1.0 0.25000 0.25000 0.50000 1.0000 + Mn Mn860 1.0 0.29167 0.29167 0.50000 1.0000 + Mn Mn861 1.0 0.33333 0.33333 0.50000 1.0000 + Mn Mn862 1.0 0.37500 0.37500 0.50000 1.0000 + Mn Mn863 1.0 0.41667 0.41667 0.50000 1.0000 + Mn Mn864 1.0 0.45833 0.45833 0.50000 1.0000 + O O1153 1.0 0.56944 0.50000 0.66161 1.0000 + O O1154 1.0 0.61111 0.54167 0.66161 1.0000 + O O1155 1.0 0.65278 0.58333 0.66161 1.0000 + O O1156 1.0 0.69444 0.62500 0.66161 1.0000 + O O1157 1.0 0.73611 0.66667 0.66161 1.0000 + O O1158 1.0 0.77778 0.70833 0.66161 1.0000 + O O1159 1.0 0.81944 0.75000 0.66161 1.0000 + O O1160 1.0 0.86111 0.79167 0.66161 1.0000 + O O1161 1.0 0.90278 0.83333 0.66161 1.0000 + O O1162 1.0 0.94444 0.87500 0.66161 1.0000 + O O1163 1.0 0.98611 0.91667 0.66161 1.0000 + O O1164 1.0 0.02778 0.95833 0.66161 1.0000 + O O1165 1.0 0.61111 0.45833 0.66161 1.0000 + O O1166 1.0 0.65278 0.50000 0.66161 1.0000 + O O1167 1.0 0.69444 0.54167 0.66161 1.0000 + O O1168 1.0 0.73611 0.58333 0.66161 1.0000 + O O1169 1.0 0.77778 0.62500 0.66161 1.0000 + O O1170 1.0 0.81944 0.66667 0.66161 1.0000 + O O1171 1.0 0.86111 0.70833 0.66161 1.0000 + O O1172 1.0 0.90278 0.75000 0.66161 1.0000 + O O1173 1.0 0.94444 0.79167 0.66161 1.0000 + O O1174 1.0 0.98611 0.83333 0.66161 1.0000 + O O1175 1.0 0.02778 0.87500 0.66161 1.0000 + O O1176 1.0 0.06944 0.91667 0.66161 1.0000 + O O1177 1.0 0.65278 0.41667 0.66161 1.0000 + O O1178 1.0 0.69444 0.45833 0.66161 1.0000 + O O1179 1.0 0.73611 0.50000 0.66161 1.0000 + O O1180 1.0 0.77778 0.54167 0.66161 1.0000 + O O1181 1.0 0.81944 0.58333 0.66161 1.0000 + O O1182 1.0 0.86111 0.62500 0.66161 1.0000 + O O1183 1.0 0.90278 0.66667 0.66161 1.0000 + O O1184 1.0 0.94444 0.70833 0.66161 1.0000 + O O1185 1.0 0.98611 0.75000 0.66161 1.0000 + O O1186 1.0 0.02778 0.79167 0.66161 1.0000 + O O1187 1.0 0.06944 0.83333 0.66161 1.0000 + O O1188 1.0 0.11111 0.87500 0.66161 1.0000 + O O1189 1.0 0.69444 0.37500 0.66161 1.0000 + O O1190 1.0 0.73611 0.41667 0.66161 1.0000 + O O1191 1.0 0.77778 0.45833 0.66161 1.0000 + O O1192 1.0 0.81944 0.50000 0.66161 1.0000 + O O1193 1.0 0.86111 0.54167 0.66161 1.0000 + O O1194 1.0 0.90278 0.58333 0.66161 1.0000 + O O1195 1.0 0.94444 0.62500 0.66161 1.0000 + O O1196 1.0 0.98611 0.66667 0.66161 1.0000 + O O1197 1.0 0.02778 0.70833 0.66161 1.0000 + O O1198 1.0 0.06944 0.75000 0.66161 1.0000 + O O1199 1.0 0.11111 0.79167 0.66161 1.0000 + O O1200 1.0 0.15278 0.83333 0.66161 1.0000 + O O1201 1.0 0.73611 0.33333 0.66161 1.0000 + O O1202 1.0 0.77778 0.37500 0.66161 1.0000 + O O1203 1.0 0.81944 0.41667 0.66161 1.0000 + O O1204 1.0 0.86111 0.45833 0.66161 1.0000 + O O1205 1.0 0.90278 0.50000 0.66161 1.0000 + O O1206 1.0 0.94444 0.54167 0.66161 1.0000 + O O1207 1.0 0.98611 0.58333 0.66161 1.0000 + O O1208 1.0 0.02778 0.62500 0.66161 1.0000 + O O1209 1.0 0.06944 0.66667 0.66161 1.0000 + O O1210 1.0 0.11111 0.70833 0.66161 1.0000 + O O1211 1.0 0.15278 0.75000 0.66161 1.0000 + O O1212 1.0 0.19444 0.79167 0.66161 1.0000 + O O1213 1.0 0.77778 0.29167 0.66161 1.0000 + O O1214 1.0 0.81944 0.33333 0.66161 1.0000 + O O1215 1.0 0.86111 0.37500 0.66161 1.0000 + O O1216 1.0 0.90278 0.41667 0.66161 1.0000 + O O1217 1.0 0.94444 0.45833 0.66161 1.0000 + O O1218 1.0 0.98611 0.50000 0.66161 1.0000 + O O1219 1.0 0.02778 0.54167 0.66161 1.0000 + O O1220 1.0 0.06944 0.58333 0.66161 1.0000 + O O1221 1.0 0.11111 0.62500 0.66161 1.0000 + O O1222 1.0 0.15278 0.66667 0.66161 1.0000 + O O1223 1.0 0.19444 0.70833 0.66161 1.0000 + O O1224 1.0 0.23611 0.75000 0.66161 1.0000 + O O1225 1.0 0.81944 0.25000 0.66161 1.0000 + O O1226 1.0 0.86111 0.29167 0.66161 1.0000 + O O1227 1.0 0.90278 0.33333 0.66161 1.0000 + O O1228 1.0 0.94444 0.37500 0.66161 1.0000 + O O1229 1.0 0.98611 0.41667 0.66161 1.0000 + O O1230 1.0 0.02778 0.45833 0.66161 1.0000 + O O1231 1.0 0.06944 0.50000 0.66161 1.0000 + O O1232 1.0 0.11111 0.54167 0.66161 1.0000 + O O1233 1.0 0.15278 0.58333 0.66161 1.0000 + O O1234 1.0 0.19444 0.62500 0.66161 1.0000 + O O1235 1.0 0.23611 0.66667 0.66161 1.0000 + O O1236 1.0 0.27778 0.70833 0.66161 1.0000 + O O1237 1.0 0.86111 0.20833 0.66161 1.0000 + O O1238 1.0 0.90278 0.25000 0.66161 1.0000 + O O1239 1.0 0.94444 0.29167 0.66161 1.0000 + O O1240 1.0 0.98611 0.33333 0.66161 1.0000 + O O1241 1.0 0.02778 0.37500 0.66161 1.0000 + O O1242 1.0 0.06944 0.41667 0.66161 1.0000 + O O1243 1.0 0.11111 0.45833 0.66161 1.0000 + O O1244 1.0 0.15278 0.50000 0.66161 1.0000 + O O1245 1.0 0.19444 0.54167 0.66161 1.0000 + O O1246 1.0 0.23611 0.58333 0.66161 1.0000 + O O1247 1.0 0.27778 0.62500 0.66161 1.0000 + O O1248 1.0 0.31944 0.66667 0.66161 1.0000 + O O1249 1.0 0.90278 0.16667 0.66161 1.0000 + O O1250 1.0 0.94444 0.20833 0.66161 1.0000 + O O1251 1.0 0.98611 0.25000 0.66161 1.0000 + O O1252 1.0 0.02778 0.29167 0.66161 1.0000 + O O1253 1.0 0.06944 0.33333 0.66161 1.0000 + O O1254 1.0 0.11111 0.37500 0.66161 1.0000 + O O1255 1.0 0.15278 0.41667 0.66161 1.0000 + O O1256 1.0 0.19444 0.45833 0.66161 1.0000 + O O1257 1.0 0.23611 0.50000 0.66161 1.0000 + O O1258 1.0 0.27778 0.54167 0.66161 1.0000 + O O1259 1.0 0.31944 0.58333 0.66161 1.0000 + O O1260 1.0 0.36111 0.62500 0.66161 1.0000 + O O1261 1.0 0.94444 0.12500 0.66161 1.0000 + O O1262 1.0 0.98611 0.16667 0.66161 1.0000 + O O1263 1.0 0.02778 0.20833 0.66161 1.0000 + O O1264 1.0 0.06944 0.25000 0.66161 1.0000 + O O1265 1.0 0.11111 0.29167 0.66161 1.0000 + O O1266 1.0 0.15278 0.33333 0.66161 1.0000 + O O1267 1.0 0.19444 0.37500 0.66161 1.0000 + O O1268 1.0 0.23611 0.41667 0.66161 1.0000 + O O1269 1.0 0.27778 0.45833 0.66161 1.0000 + O O1270 1.0 0.31944 0.50000 0.66161 1.0000 + O O1271 1.0 0.36111 0.54167 0.66161 1.0000 + O O1272 1.0 0.40278 0.58333 0.66161 1.0000 + O O1273 1.0 0.98611 0.08333 0.66161 1.0000 + O O1274 1.0 0.02778 0.12500 0.66161 1.0000 + O O1275 1.0 0.06944 0.16667 0.66161 1.0000 + O O1276 1.0 0.11111 0.20833 0.66161 1.0000 + O O1277 1.0 0.15278 0.25000 0.66161 1.0000 + O O1278 1.0 0.19444 0.29167 0.66161 1.0000 + O O1279 1.0 0.23611 0.33333 0.66161 1.0000 + O O1280 1.0 0.27778 0.37500 0.66161 1.0000 + O O1281 1.0 0.31944 0.41667 0.66161 1.0000 + O O1282 1.0 0.36111 0.45833 0.66161 1.0000 + O O1283 1.0 0.40278 0.50000 0.66161 1.0000 + O O1284 1.0 0.44444 0.54167 0.66161 1.0000 + O O1285 1.0 0.02778 0.04167 0.66161 1.0000 + O O1286 1.0 0.06944 0.08333 0.66161 1.0000 + O O1287 1.0 0.11111 0.12500 0.66161 1.0000 + O O1288 1.0 0.15278 0.16667 0.66161 1.0000 + O O1289 1.0 0.19444 0.20833 0.66161 1.0000 + O O1290 1.0 0.23611 0.25000 0.66161 1.0000 + O O1291 1.0 0.27778 0.29167 0.66161 1.0000 + O O1292 1.0 0.31944 0.33333 0.66161 1.0000 + O O1293 1.0 0.36111 0.37500 0.66161 1.0000 + O O1294 1.0 0.40278 0.41667 0.66161 1.0000 + O O1295 1.0 0.44444 0.45833 0.66161 1.0000 + O O1296 1.0 0.48611 0.50000 0.66161 1.0000 + O O1297 1.0 0.54873 0.47880 0.66229 1.0000 + O O1298 1.0 0.59040 0.52047 0.66229 1.0000 + O O1299 1.0 0.63207 0.56214 0.66229 1.0000 + O O1300 1.0 0.67373 0.60380 0.66229 1.0000 + O O1301 1.0 0.71540 0.64547 0.66229 1.0000 + O O1302 1.0 0.75707 0.68714 0.66229 1.0000 + O O1303 1.0 0.79873 0.72880 0.66229 1.0000 + O O1304 1.0 0.84040 0.77047 0.66229 1.0000 + O O1305 1.0 0.88207 0.81214 0.66229 1.0000 + O O1306 1.0 0.92373 0.85380 0.66229 1.0000 + O O1307 1.0 0.96540 0.89547 0.66229 1.0000 + O O1308 1.0 0.00707 0.93714 0.66229 1.0000 + O O1309 1.0 0.59040 0.43714 0.66229 1.0000 + O O1310 1.0 0.63207 0.47880 0.66229 1.0000 + O O1311 1.0 0.67373 0.52047 0.66229 1.0000 + O O1312 1.0 0.71540 0.56214 0.66229 1.0000 + O O1313 1.0 0.75707 0.60380 0.66229 1.0000 + O O1314 1.0 0.79873 0.64547 0.66229 1.0000 + O O1315 1.0 0.84040 0.68714 0.66229 1.0000 + O O1316 1.0 0.88207 0.72880 0.66229 1.0000 + O O1317 1.0 0.92373 0.77047 0.66229 1.0000 + O O1318 1.0 0.96540 0.81214 0.66229 1.0000 + O O1319 1.0 0.00707 0.85380 0.66229 1.0000 + O O1320 1.0 0.04873 0.89547 0.66229 1.0000 + O O1321 1.0 0.63207 0.39547 0.66229 1.0000 + O O1322 1.0 0.67373 0.43714 0.66229 1.0000 + O O1323 1.0 0.71540 0.47880 0.66229 1.0000 + O O1324 1.0 0.75707 0.52047 0.66229 1.0000 + O O1325 1.0 0.79873 0.56214 0.66229 1.0000 + O O1326 1.0 0.84040 0.60380 0.66229 1.0000 + O O1327 1.0 0.88207 0.64547 0.66229 1.0000 + O O1328 1.0 0.92373 0.68714 0.66229 1.0000 + O O1329 1.0 0.96540 0.72880 0.66229 1.0000 + O O1330 1.0 0.00707 0.77047 0.66229 1.0000 + O O1331 1.0 0.04873 0.81214 0.66229 1.0000 + O O1332 1.0 0.09040 0.85380 0.66229 1.0000 + O O1333 1.0 0.67373 0.35380 0.66229 1.0000 + O O1334 1.0 0.71540 0.39547 0.66229 1.0000 + O O1335 1.0 0.75707 0.43714 0.66229 1.0000 + O O1336 1.0 0.79873 0.47880 0.66229 1.0000 + O O1337 1.0 0.84040 0.52047 0.66229 1.0000 + O O1338 1.0 0.88207 0.56214 0.66229 1.0000 + O O1339 1.0 0.92373 0.60380 0.66229 1.0000 + O O1340 1.0 0.96540 0.64547 0.66229 1.0000 + O O1341 1.0 0.00707 0.68714 0.66229 1.0000 + O O1342 1.0 0.04873 0.72880 0.66229 1.0000 + O O1343 1.0 0.09040 0.77047 0.66229 1.0000 + O O1344 1.0 0.13207 0.81214 0.66229 1.0000 + O O1345 1.0 0.71540 0.31214 0.66229 1.0000 + O O1346 1.0 0.75707 0.35380 0.66229 1.0000 + O O1347 1.0 0.79873 0.39547 0.66229 1.0000 + O O1348 1.0 0.84040 0.43714 0.66229 1.0000 + O O1349 1.0 0.88207 0.47880 0.66229 1.0000 + O O1350 1.0 0.92373 0.52047 0.66229 1.0000 + O O1351 1.0 0.96540 0.56214 0.66229 1.0000 + O O1352 1.0 0.00707 0.60380 0.66229 1.0000 + O O1353 1.0 0.04873 0.64547 0.66229 1.0000 + O O1354 1.0 0.09040 0.68714 0.66229 1.0000 + O O1355 1.0 0.13207 0.72880 0.66229 1.0000 + O O1356 1.0 0.17373 0.77047 0.66229 1.0000 + O O1357 1.0 0.75707 0.27047 0.66229 1.0000 + O O1358 1.0 0.79873 0.31214 0.66229 1.0000 + O O1359 1.0 0.84040 0.35380 0.66229 1.0000 + O O1360 1.0 0.88207 0.39547 0.66229 1.0000 + O O1361 1.0 0.92373 0.43714 0.66229 1.0000 + O O1362 1.0 0.96540 0.47880 0.66229 1.0000 + O O1363 1.0 0.00707 0.52047 0.66229 1.0000 + O O1364 1.0 0.04873 0.56214 0.66229 1.0000 + O O1365 1.0 0.09040 0.60380 0.66229 1.0000 + O O1366 1.0 0.13207 0.64547 0.66229 1.0000 + O O1367 1.0 0.17373 0.68714 0.66229 1.0000 + O O1368 1.0 0.21540 0.72880 0.66229 1.0000 + O O1369 1.0 0.79873 0.22880 0.66229 1.0000 + O O1370 1.0 0.84040 0.27047 0.66229 1.0000 + O O1371 1.0 0.88207 0.31214 0.66229 1.0000 + O O1372 1.0 0.92373 0.35380 0.66229 1.0000 + O O1373 1.0 0.96540 0.39547 0.66229 1.0000 + O O1374 1.0 0.00707 0.43714 0.66229 1.0000 + O O1375 1.0 0.04873 0.47880 0.66229 1.0000 + O O1376 1.0 0.09040 0.52047 0.66229 1.0000 + O O1377 1.0 0.13207 0.56214 0.66229 1.0000 + O O1378 1.0 0.17373 0.60380 0.66229 1.0000 + O O1379 1.0 0.21540 0.64547 0.66229 1.0000 + O O1380 1.0 0.25707 0.68714 0.66229 1.0000 + O O1381 1.0 0.84040 0.18714 0.66229 1.0000 + O O1382 1.0 0.88207 0.22880 0.66229 1.0000 + O O1383 1.0 0.92373 0.27047 0.66229 1.0000 + O O1384 1.0 0.96540 0.31214 0.66229 1.0000 + O O1385 1.0 0.00707 0.35380 0.66229 1.0000 + O O1386 1.0 0.04873 0.39547 0.66229 1.0000 + O O1387 1.0 0.09040 0.43714 0.66229 1.0000 + O O1388 1.0 0.13207 0.47880 0.66229 1.0000 + O O1389 1.0 0.17373 0.52047 0.66229 1.0000 + O O1390 1.0 0.21540 0.56214 0.66229 1.0000 + O O1391 1.0 0.25707 0.60380 0.66229 1.0000 + O O1392 1.0 0.29873 0.64547 0.66229 1.0000 + O O1393 1.0 0.88207 0.14547 0.66229 1.0000 + O O1394 1.0 0.92373 0.18714 0.66229 1.0000 + O O1395 1.0 0.96540 0.22880 0.66229 1.0000 + O O1396 1.0 0.00707 0.27047 0.66229 1.0000 + O O1397 1.0 0.04873 0.31214 0.66229 1.0000 + O O1398 1.0 0.09040 0.35380 0.66229 1.0000 + O O1399 1.0 0.13207 0.39547 0.66229 1.0000 + O O1400 1.0 0.17373 0.43714 0.66229 1.0000 + O O1401 1.0 0.21540 0.47880 0.66229 1.0000 + O O1402 1.0 0.25707 0.52047 0.66229 1.0000 + O O1403 1.0 0.29873 0.56214 0.66229 1.0000 + O O1404 1.0 0.34040 0.60380 0.66229 1.0000 + O O1405 1.0 0.92373 0.10380 0.66229 1.0000 + O O1406 1.0 0.96540 0.14547 0.66229 1.0000 + O O1407 1.0 0.00707 0.18714 0.66229 1.0000 + O O1408 1.0 0.04873 0.22880 0.66229 1.0000 + O O1409 1.0 0.09040 0.27047 0.66229 1.0000 + O O1410 1.0 0.13207 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0.70127 0.39547 0.33771 1.0000 + O O2055 1.0 0.74293 0.43714 0.33771 1.0000 + O O2056 1.0 0.78460 0.47880 0.33771 1.0000 + O O2057 1.0 0.82627 0.52047 0.33771 1.0000 + O O2058 1.0 0.86793 0.56214 0.33771 1.0000 + O O2059 1.0 0.90960 0.60380 0.33771 1.0000 + O O2060 1.0 0.95127 0.64547 0.33771 1.0000 + O O2061 1.0 0.99293 0.68714 0.33771 1.0000 + O O2062 1.0 0.03460 0.72880 0.33771 1.0000 + O O2063 1.0 0.07627 0.77047 0.33771 1.0000 + O O2064 1.0 0.11793 0.81214 0.33771 1.0000 + O O2065 1.0 0.70127 0.31214 0.33771 1.0000 + O O2066 1.0 0.74293 0.35380 0.33771 1.0000 + O O2067 1.0 0.78460 0.39547 0.33771 1.0000 + O O2068 1.0 0.82627 0.43714 0.33771 1.0000 + O O2069 1.0 0.86793 0.47880 0.33771 1.0000 + O O2070 1.0 0.90960 0.52047 0.33771 1.0000 + O O2071 1.0 0.95127 0.56214 0.33771 1.0000 + O O2072 1.0 0.99293 0.60380 0.33771 1.0000 + O O2073 1.0 0.03460 0.64547 0.33771 1.0000 + O O2074 1.0 0.07627 0.68714 0.33771 1.0000 + O O2075 1.0 0.11793 0.72880 0.33771 1.0000 + O O2076 1.0 0.15960 0.77047 0.33771 1.0000 + O O2077 1.0 0.74293 0.27047 0.33771 1.0000 + O O2078 1.0 0.78460 0.31214 0.33771 1.0000 + O O2079 1.0 0.82627 0.35380 0.33771 1.0000 + O O2080 1.0 0.86793 0.39547 0.33771 1.0000 + O O2081 1.0 0.90960 0.43714 0.33771 1.0000 + O O2082 1.0 0.95127 0.47880 0.33771 1.0000 + O O2083 1.0 0.99293 0.52047 0.33771 1.0000 + O O2084 1.0 0.03460 0.56214 0.33771 1.0000 + O O2085 1.0 0.07627 0.60380 0.33771 1.0000 + O O2086 1.0 0.11793 0.64547 0.33771 1.0000 + O O2087 1.0 0.15960 0.68714 0.33771 1.0000 + O O2088 1.0 0.20127 0.72880 0.33771 1.0000 + O O2089 1.0 0.78460 0.22880 0.33771 1.0000 + O O2090 1.0 0.82627 0.27047 0.33771 1.0000 + O O2091 1.0 0.86793 0.31214 0.33771 1.0000 + O O2092 1.0 0.90960 0.35380 0.33771 1.0000 + O O2093 1.0 0.95127 0.39547 0.33771 1.0000 + O O2094 1.0 0.99293 0.43714 0.33771 1.0000 + O O2095 1.0 0.03460 0.47880 0.33771 1.0000 + O O2096 1.0 0.07627 0.52047 0.33771 1.0000 + O O2097 1.0 0.11793 0.56214 0.33771 1.0000 + O O2098 1.0 0.15960 0.60380 0.33771 1.0000 + O O2099 1.0 0.20127 0.64547 0.33771 1.0000 + O O2100 1.0 0.24293 0.68714 0.33771 1.0000 + O O2101 1.0 0.82627 0.18714 0.33771 1.0000 + O O2102 1.0 0.86793 0.22880 0.33771 1.0000 + O O2103 1.0 0.90960 0.27047 0.33771 1.0000 + O O2104 1.0 0.95127 0.31214 0.33771 1.0000 + O O2105 1.0 0.99293 0.35380 0.33771 1.0000 + O O2106 1.0 0.03460 0.39547 0.33771 1.0000 + O O2107 1.0 0.07627 0.43714 0.33771 1.0000 + O O2108 1.0 0.11793 0.47880 0.33771 1.0000 + O O2109 1.0 0.15960 0.52047 0.33771 1.0000 + O O2110 1.0 0.20127 0.56214 0.33771 1.0000 + O O2111 1.0 0.24293 0.60380 0.33771 1.0000 + O O2112 1.0 0.28460 0.64547 0.33771 1.0000 + O O2113 1.0 0.86793 0.14547 0.33771 1.0000 + O O2114 1.0 0.90960 0.18714 0.33771 1.0000 + O O2115 1.0 0.95127 0.22880 0.33771 1.0000 + O O2116 1.0 0.99293 0.27047 0.33771 1.0000 + O O2117 1.0 0.03460 0.31214 0.33771 1.0000 + O O2118 1.0 0.07627 0.35380 0.33771 1.0000 + O O2119 1.0 0.11793 0.39547 0.33771 1.0000 + O O2120 1.0 0.15960 0.43714 0.33771 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O2143 1.0 0.20127 0.31214 0.33771 1.0000 + O O2144 1.0 0.24293 0.35380 0.33771 1.0000 + O O2145 1.0 0.28460 0.39547 0.33771 1.0000 + O O2146 1.0 0.32627 0.43714 0.33771 1.0000 + O O2147 1.0 0.36793 0.47880 0.33771 1.0000 + O O2148 1.0 0.40960 0.52047 0.33771 1.0000 + O O2149 1.0 0.99293 0.02047 0.33771 1.0000 + O O2150 1.0 0.03460 0.06214 0.33771 1.0000 + O O2151 1.0 0.07627 0.10380 0.33771 1.0000 + O O2152 1.0 0.11793 0.14547 0.33771 1.0000 + O O2153 1.0 0.15960 0.18714 0.33771 1.0000 + O O2154 1.0 0.20127 0.22880 0.33771 1.0000 + O O2155 1.0 0.24293 0.27047 0.33771 1.0000 + O O2156 1.0 0.28460 0.31214 0.33771 1.0000 + O O2157 1.0 0.32627 0.35380 0.33771 1.0000 + O O2158 1.0 0.36793 0.39547 0.33771 1.0000 + O O2159 1.0 0.40960 0.43714 0.33771 1.0000 + O O2160 1.0 0.45127 0.47880 0.33771 1.0000 + O O2161 1.0 0.55580 0.50000 0.33772 1.0000 + O O2162 1.0 0.59746 0.54167 0.33772 1.0000 + O O2163 1.0 0.63913 0.58333 0.33772 1.0000 + O O2164 1.0 0.68080 0.62500 0.33772 1.0000 + O O2165 1.0 0.72246 0.66667 0.33772 1.0000 + O O2166 1.0 0.76413 0.70833 0.33772 1.0000 + O O2167 1.0 0.80580 0.75000 0.33772 1.0000 + O O2168 1.0 0.84746 0.79167 0.33772 1.0000 + O O2169 1.0 0.88913 0.83333 0.33772 1.0000 + O O2170 1.0 0.93080 0.87500 0.33772 1.0000 + O O2171 1.0 0.97246 0.91667 0.33772 1.0000 + O O2172 1.0 0.01413 0.95833 0.33772 1.0000 + O O2173 1.0 0.59746 0.45833 0.33772 1.0000 + O O2174 1.0 0.63913 0.50000 0.33772 1.0000 + O O2175 1.0 0.68080 0.54167 0.33772 1.0000 + O O2176 1.0 0.72246 0.58333 0.33772 1.0000 + O O2177 1.0 0.76413 0.62500 0.33772 1.0000 + O O2178 1.0 0.80580 0.66667 0.33772 1.0000 + O O2179 1.0 0.84746 0.70833 0.33772 1.0000 + O O2180 1.0 0.88913 0.75000 0.33772 1.0000 + O O2181 1.0 0.93080 0.79167 0.33772 1.0000 + O O2182 1.0 0.97246 0.83333 0.33772 1.0000 + O O2183 1.0 0.01413 0.87500 0.33772 1.0000 + O O2184 1.0 0.05580 0.91667 0.33772 1.0000 + O O2185 1.0 0.63913 0.41667 0.33772 1.0000 + O O2186 1.0 0.68080 0.45833 0.33772 1.0000 + O O2187 1.0 0.72246 0.50000 0.33772 1.0000 + O O2188 1.0 0.76413 0.54167 0.33772 1.0000 + O O2189 1.0 0.80580 0.58333 0.33772 1.0000 + O O2190 1.0 0.84746 0.62500 0.33772 1.0000 + O O2191 1.0 0.88913 0.66667 0.33772 1.0000 + O O2192 1.0 0.93080 0.70833 0.33772 1.0000 + O O2193 1.0 0.97246 0.75000 0.33772 1.0000 + O O2194 1.0 0.01413 0.79167 0.33772 1.0000 + O O2195 1.0 0.05580 0.83333 0.33772 1.0000 + O O2196 1.0 0.09746 0.87500 0.33772 1.0000 + O O2197 1.0 0.68080 0.37500 0.33772 1.0000 + O O2198 1.0 0.72246 0.41667 0.33772 1.0000 + O O2199 1.0 0.76413 0.45833 0.33772 1.0000 + O O2200 1.0 0.80580 0.50000 0.33772 1.0000 + O O2201 1.0 0.84746 0.54167 0.33772 1.0000 + O O2202 1.0 0.88913 0.58333 0.33772 1.0000 + O O2203 1.0 0.93080 0.62500 0.33772 1.0000 + O O2204 1.0 0.97246 0.66667 0.33772 1.0000 + O O2205 1.0 0.01413 0.70833 0.33772 1.0000 + O O2206 1.0 0.05580 0.75000 0.33772 1.0000 + O O2207 1.0 0.09746 0.79167 0.33772 1.0000 + O O2208 1.0 0.13913 0.83333 0.33772 1.0000 + O O2209 1.0 0.72246 0.33333 0.33772 1.0000 + O O2210 1.0 0.76413 0.37500 0.33772 1.0000 + O O2211 1.0 0.80580 0.41667 0.33772 1.0000 + O O2212 1.0 0.84746 0.45833 0.33772 1.0000 + O O2213 1.0 0.88913 0.50000 0.33772 1.0000 + O O2214 1.0 0.93080 0.54167 0.33772 1.0000 + O O2215 1.0 0.97246 0.58333 0.33772 1.0000 + O O2216 1.0 0.01413 0.62500 0.33772 1.0000 + O O2217 1.0 0.05580 0.66667 0.33772 1.0000 + O O2218 1.0 0.09746 0.70833 0.33772 1.0000 + O O2219 1.0 0.13913 0.75000 0.33772 1.0000 + O O2220 1.0 0.18080 0.79167 0.33772 1.0000 + O O2221 1.0 0.76413 0.29167 0.33772 1.0000 + O O2222 1.0 0.80580 0.33333 0.33772 1.0000 + O O2223 1.0 0.84746 0.37500 0.33772 1.0000 + O O2224 1.0 0.88913 0.41667 0.33772 1.0000 + O O2225 1.0 0.93080 0.45833 0.33772 1.0000 + O O2226 1.0 0.97246 0.50000 0.33772 1.0000 + O O2227 1.0 0.01413 0.54167 0.33772 1.0000 + O O2228 1.0 0.05580 0.58333 0.33772 1.0000 + O O2229 1.0 0.09746 0.62500 0.33772 1.0000 + O O2230 1.0 0.13913 0.66667 0.33772 1.0000 + O O2231 1.0 0.18080 0.70833 0.33772 1.0000 + O O2232 1.0 0.22246 0.75000 0.33772 1.0000 + O O2233 1.0 0.80580 0.25000 0.33772 1.0000 + O O2234 1.0 0.84746 0.29167 0.33772 1.0000 + O O2235 1.0 0.88913 0.33333 0.33772 1.0000 + O O2236 1.0 0.93080 0.37500 0.33772 1.0000 + O O2237 1.0 0.97246 0.41667 0.33772 1.0000 + O O2238 1.0 0.01413 0.45833 0.33772 1.0000 + O O2239 1.0 0.05580 0.50000 0.33772 1.0000 + O O2240 1.0 0.09746 0.54167 0.33772 1.0000 + O O2241 1.0 0.13913 0.58333 0.33772 1.0000 + O O2242 1.0 0.18080 0.62500 0.33772 1.0000 + O O2243 1.0 0.22246 0.66667 0.33772 1.0000 + O O2244 1.0 0.26413 0.70833 0.33772 1.0000 + O O2245 1.0 0.84746 0.20833 0.33772 1.0000 + O O2246 1.0 0.88913 0.25000 0.33772 1.0000 + O O2247 1.0 0.93080 0.29167 0.33772 1.0000 + O O2248 1.0 0.97246 0.33333 0.33772 1.0000 + O O2249 1.0 0.01413 0.37500 0.33772 1.0000 + O O2250 1.0 0.05580 0.41667 0.33772 1.0000 + O O2251 1.0 0.09746 0.45833 0.33772 1.0000 + O O2252 1.0 0.13913 0.50000 0.33772 1.0000 + O O2253 1.0 0.18080 0.54167 0.33772 1.0000 + O O2254 1.0 0.22246 0.58333 0.33772 1.0000 + O O2255 1.0 0.26413 0.62500 0.33772 1.0000 + O O2256 1.0 0.30580 0.66667 0.33772 1.0000 + O O2257 1.0 0.88913 0.16667 0.33772 1.0000 + O O2258 1.0 0.93080 0.20833 0.33772 1.0000 + O O2259 1.0 0.97246 0.25000 0.33772 1.0000 + O O2260 1.0 0.01413 0.29167 0.33772 1.0000 + O O2261 1.0 0.05580 0.33333 0.33772 1.0000 + O O2262 1.0 0.09746 0.37500 0.33772 1.0000 + O O2263 1.0 0.13913 0.41667 0.33772 1.0000 + O O2264 1.0 0.18080 0.45833 0.33772 1.0000 + O O2265 1.0 0.22246 0.50000 0.33772 1.0000 + O O2266 1.0 0.26413 0.54167 0.33772 1.0000 + O O2267 1.0 0.30580 0.58333 0.33772 1.0000 + O O2268 1.0 0.34746 0.62500 0.33772 1.0000 + O O2269 1.0 0.93080 0.12500 0.33772 1.0000 + O O2270 1.0 0.97246 0.16667 0.33772 1.0000 + O O2271 1.0 0.01413 0.20833 0.33772 1.0000 + O O2272 1.0 0.05580 0.25000 0.33772 1.0000 + O O2273 1.0 0.09746 0.29167 0.33772 1.0000 + O O2274 1.0 0.13913 0.33333 0.33772 1.0000 + O O2275 1.0 0.18080 0.37500 0.33772 1.0000 + O O2276 1.0 0.22246 0.41667 0.33772 1.0000 + O O2277 1.0 0.26413 0.45833 0.33772 1.0000 + O O2278 1.0 0.30580 0.50000 0.33772 1.0000 + O O2279 1.0 0.34746 0.54167 0.33772 1.0000 + O O2280 1.0 0.38913 0.58333 0.33772 1.0000 + O O2281 1.0 0.97246 0.08333 0.33772 1.0000 + O O2282 1.0 0.01413 0.12500 0.33772 1.0000 + O O2283 1.0 0.05580 0.16667 0.33772 1.0000 + O O2284 1.0 0.09746 0.20833 0.33772 1.0000 + O O2285 1.0 0.13913 0.25000 0.33772 1.0000 + O O2286 1.0 0.18080 0.29167 0.33772 1.0000 + O O2287 1.0 0.22246 0.33333 0.33772 1.0000 + O O2288 1.0 0.26413 0.37500 0.33772 1.0000 + O O2289 1.0 0.30580 0.41667 0.33772 1.0000 + O O2290 1.0 0.34746 0.45833 0.33772 1.0000 + O O2291 1.0 0.38913 0.50000 0.33772 1.0000 + O O2292 1.0 0.43080 0.54167 0.33772 1.0000 + O O2293 1.0 0.01413 0.04167 0.33772 1.0000 + O O2294 1.0 0.05580 0.08333 0.33772 1.0000 + O O2295 1.0 0.09746 0.12500 0.33772 1.0000 + O O2296 1.0 0.13913 0.16667 0.33772 1.0000 + O O2297 1.0 0.18080 0.20833 0.33772 1.0000 + O O2298 1.0 0.22246 0.25000 0.33772 1.0000 + O O2299 1.0 0.26413 0.29167 0.33772 1.0000 + O O2300 1.0 0.30580 0.33333 0.33772 1.0000 + O O2301 1.0 0.34746 0.37500 0.33772 1.0000 + O O2302 1.0 0.38913 0.41667 0.33772 1.0000 + O O2303 1.0 0.43080 0.45833 0.33772 1.0000 + O O2304 1.0 0.47246 0.50000 0.33772 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4362_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4362_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..e8dab73b06cb304d47a6cfea0265c36fe1cb3dcc --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4362_supercell_16x16x1.cif @@ -0,0 +1,537 @@ +data_image0 +_chemical_formula_structural Ho256S256 +_chemical_formula_sum "Ho256 S256" +_cell_length_a 59.5148 +_cell_length_b 59.5148 +_cell_length_c 4.40631 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Ho Ho1 1.0 0.06147 0.06147 0.45389 1.0000 + Ho Ho2 1.0 0.06147 0.12397 0.45389 1.0000 + Ho Ho3 1.0 0.06147 0.18647 0.45389 1.0000 + Ho Ho4 1.0 0.06147 0.24897 0.45389 1.0000 + Ho Ho5 1.0 0.06147 0.31147 0.45389 1.0000 + Ho Ho6 1.0 0.06147 0.37397 0.45389 1.0000 + Ho Ho7 1.0 0.06147 0.43647 0.45389 1.0000 + Ho Ho8 1.0 0.06147 0.49897 0.45389 1.0000 + Ho Ho9 1.0 0.06147 0.56147 0.45389 1.0000 + Ho Ho10 1.0 0.06147 0.62397 0.45389 1.0000 + Ho Ho11 1.0 0.06147 0.68647 0.45389 1.0000 + Ho Ho12 1.0 0.06147 0.74897 0.45389 1.0000 + Ho Ho13 1.0 0.06147 0.81147 0.45389 1.0000 + Ho Ho14 1.0 0.06147 0.87397 0.45389 1.0000 + Ho Ho15 1.0 0.06147 0.93647 0.45389 1.0000 + Ho Ho16 1.0 0.06147 0.99897 0.45389 1.0000 + Ho Ho17 1.0 0.12397 0.06147 0.45389 1.0000 + Ho Ho18 1.0 0.12397 0.12397 0.45389 1.0000 + Ho Ho19 1.0 0.12397 0.18647 0.45389 1.0000 + Ho Ho20 1.0 0.12397 0.24897 0.45389 1.0000 + Ho Ho21 1.0 0.12397 0.31147 0.45389 1.0000 + Ho Ho22 1.0 0.12397 0.37397 0.45389 1.0000 + Ho Ho23 1.0 0.12397 0.43647 0.45389 1.0000 + Ho Ho24 1.0 0.12397 0.49897 0.45389 1.0000 + Ho Ho25 1.0 0.12397 0.56147 0.45389 1.0000 + Ho Ho26 1.0 0.12397 0.62397 0.45389 1.0000 + Ho Ho27 1.0 0.12397 0.68647 0.45389 1.0000 + Ho Ho28 1.0 0.12397 0.74897 0.45389 1.0000 + Ho Ho29 1.0 0.12397 0.81147 0.45389 1.0000 + Ho Ho30 1.0 0.12397 0.87397 0.45389 1.0000 + Ho Ho31 1.0 0.12397 0.93647 0.45389 1.0000 + Ho Ho32 1.0 0.12397 0.99897 0.45389 1.0000 + Ho Ho33 1.0 0.18647 0.06147 0.45389 1.0000 + Ho Ho34 1.0 0.18647 0.12397 0.45389 1.0000 + Ho Ho35 1.0 0.18647 0.18647 0.45389 1.0000 + Ho Ho36 1.0 0.18647 0.24897 0.45389 1.0000 + Ho Ho37 1.0 0.18647 0.31147 0.45389 1.0000 + Ho Ho38 1.0 0.18647 0.37397 0.45389 1.0000 + Ho Ho39 1.0 0.18647 0.43647 0.45389 1.0000 + Ho Ho40 1.0 0.18647 0.49897 0.45389 1.0000 + Ho Ho41 1.0 0.18647 0.56147 0.45389 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1.0 0.37397 0.37397 0.45389 1.0000 + Ho Ho87 1.0 0.37397 0.43647 0.45389 1.0000 + Ho Ho88 1.0 0.37397 0.49897 0.45389 1.0000 + Ho Ho89 1.0 0.37397 0.56147 0.45389 1.0000 + Ho Ho90 1.0 0.37397 0.62397 0.45389 1.0000 + Ho Ho91 1.0 0.37397 0.68647 0.45389 1.0000 + Ho Ho92 1.0 0.37397 0.74897 0.45389 1.0000 + Ho Ho93 1.0 0.37397 0.81147 0.45389 1.0000 + Ho Ho94 1.0 0.37397 0.87397 0.45389 1.0000 + Ho Ho95 1.0 0.37397 0.93647 0.45389 1.0000 + Ho Ho96 1.0 0.37397 0.99897 0.45389 1.0000 + Ho Ho97 1.0 0.43647 0.06147 0.45389 1.0000 + Ho Ho98 1.0 0.43647 0.12397 0.45389 1.0000 + Ho Ho99 1.0 0.43647 0.18647 0.45389 1.0000 + Ho Ho100 1.0 0.43647 0.24897 0.45389 1.0000 + Ho Ho101 1.0 0.43647 0.31147 0.45389 1.0000 + Ho Ho102 1.0 0.43647 0.37397 0.45389 1.0000 + Ho Ho103 1.0 0.43647 0.43647 0.45389 1.0000 + Ho Ho104 1.0 0.43647 0.49897 0.45389 1.0000 + Ho Ho105 1.0 0.43647 0.56147 0.45389 1.0000 + Ho Ho106 1.0 0.43647 0.62397 0.45389 1.0000 + Ho Ho107 1.0 0.43647 0.68647 0.45389 1.0000 + Ho Ho108 1.0 0.43647 0.74897 0.45389 1.0000 + Ho Ho109 1.0 0.43647 0.81147 0.45389 1.0000 + Ho Ho110 1.0 0.43647 0.87397 0.45389 1.0000 + Ho Ho111 1.0 0.43647 0.93647 0.45389 1.0000 + Ho Ho112 1.0 0.43647 0.99897 0.45389 1.0000 + Ho Ho113 1.0 0.49897 0.06147 0.45389 1.0000 + Ho Ho114 1.0 0.49897 0.12397 0.45389 1.0000 + Ho Ho115 1.0 0.49897 0.18647 0.45389 1.0000 + Ho Ho116 1.0 0.49897 0.24897 0.45389 1.0000 + Ho Ho117 1.0 0.49897 0.31147 0.45389 1.0000 + Ho Ho118 1.0 0.49897 0.37397 0.45389 1.0000 + Ho Ho119 1.0 0.49897 0.43647 0.45389 1.0000 + Ho Ho120 1.0 0.49897 0.49897 0.45389 1.0000 + Ho Ho121 1.0 0.49897 0.56147 0.45389 1.0000 + Ho Ho122 1.0 0.49897 0.62397 0.45389 1.0000 + Ho Ho123 1.0 0.49897 0.68647 0.45389 1.0000 + Ho Ho124 1.0 0.49897 0.74897 0.45389 1.0000 + Ho Ho125 1.0 0.49897 0.81147 0.45389 1.0000 + Ho Ho126 1.0 0.49897 0.87397 0.45389 1.0000 + Ho Ho127 1.0 0.49897 0.93647 0.45389 1.0000 + Ho Ho128 1.0 0.49897 0.99897 0.45389 1.0000 + Ho Ho129 1.0 0.56147 0.06147 0.45389 1.0000 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0.68647 0.81147 0.45389 1.0000 + Ho Ho174 1.0 0.68647 0.87397 0.45389 1.0000 + Ho Ho175 1.0 0.68647 0.93647 0.45389 1.0000 + Ho Ho176 1.0 0.68647 0.99897 0.45389 1.0000 + Ho Ho177 1.0 0.74897 0.06147 0.45389 1.0000 + Ho Ho178 1.0 0.74897 0.12397 0.45389 1.0000 + Ho Ho179 1.0 0.74897 0.18647 0.45389 1.0000 + Ho Ho180 1.0 0.74897 0.24897 0.45389 1.0000 + Ho Ho181 1.0 0.74897 0.31147 0.45389 1.0000 + Ho Ho182 1.0 0.74897 0.37397 0.45389 1.0000 + Ho Ho183 1.0 0.74897 0.43647 0.45389 1.0000 + Ho Ho184 1.0 0.74897 0.49897 0.45389 1.0000 + Ho Ho185 1.0 0.74897 0.56147 0.45389 1.0000 + Ho Ho186 1.0 0.74897 0.62397 0.45389 1.0000 + Ho Ho187 1.0 0.74897 0.68647 0.45389 1.0000 + Ho Ho188 1.0 0.74897 0.74897 0.45389 1.0000 + Ho Ho189 1.0 0.74897 0.81147 0.45389 1.0000 + Ho Ho190 1.0 0.74897 0.87397 0.45389 1.0000 + Ho Ho191 1.0 0.74897 0.93647 0.45389 1.0000 + Ho Ho192 1.0 0.74897 0.99897 0.45389 1.0000 + Ho Ho193 1.0 0.81147 0.06147 0.45389 1.0000 + Ho Ho194 1.0 0.81147 0.12397 0.45389 1.0000 + Ho Ho195 1.0 0.81147 0.18647 0.45389 1.0000 + Ho Ho196 1.0 0.81147 0.24897 0.45389 1.0000 + Ho Ho197 1.0 0.81147 0.31147 0.45389 1.0000 + Ho Ho198 1.0 0.81147 0.37397 0.45389 1.0000 + Ho Ho199 1.0 0.81147 0.43647 0.45389 1.0000 + Ho Ho200 1.0 0.81147 0.49897 0.45389 1.0000 + Ho Ho201 1.0 0.81147 0.56147 0.45389 1.0000 + Ho Ho202 1.0 0.81147 0.62397 0.45389 1.0000 + Ho Ho203 1.0 0.81147 0.68647 0.45389 1.0000 + Ho Ho204 1.0 0.81147 0.74897 0.45389 1.0000 + Ho Ho205 1.0 0.81147 0.81147 0.45389 1.0000 + Ho Ho206 1.0 0.81147 0.87397 0.45389 1.0000 + Ho Ho207 1.0 0.81147 0.93647 0.45389 1.0000 + Ho Ho208 1.0 0.81147 0.99897 0.45389 1.0000 + Ho Ho209 1.0 0.87397 0.06147 0.45389 1.0000 + Ho Ho210 1.0 0.87397 0.12397 0.45389 1.0000 + Ho Ho211 1.0 0.87397 0.18647 0.45389 1.0000 + Ho Ho212 1.0 0.87397 0.24897 0.45389 1.0000 + Ho Ho213 1.0 0.87397 0.31147 0.45389 1.0000 + Ho Ho214 1.0 0.87397 0.37397 0.45389 1.0000 + Ho Ho215 1.0 0.87397 0.43647 0.45389 1.0000 + Ho Ho216 1.0 0.87397 0.49897 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0.93647 0.87397 0.45389 1.0000 + Ho Ho239 1.0 0.93647 0.93647 0.45389 1.0000 + Ho Ho240 1.0 0.93647 0.99897 0.45389 1.0000 + Ho Ho241 1.0 0.99897 0.06147 0.45389 1.0000 + Ho Ho242 1.0 0.99897 0.12397 0.45389 1.0000 + Ho Ho243 1.0 0.99897 0.18647 0.45389 1.0000 + Ho Ho244 1.0 0.99897 0.24897 0.45389 1.0000 + Ho Ho245 1.0 0.99897 0.31147 0.45389 1.0000 + Ho Ho246 1.0 0.99897 0.37397 0.45389 1.0000 + Ho Ho247 1.0 0.99897 0.43647 0.45389 1.0000 + Ho Ho248 1.0 0.99897 0.49897 0.45389 1.0000 + Ho Ho249 1.0 0.99897 0.56147 0.45389 1.0000 + Ho Ho250 1.0 0.99897 0.62397 0.45389 1.0000 + Ho Ho251 1.0 0.99897 0.68647 0.45389 1.0000 + Ho Ho252 1.0 0.99897 0.74897 0.45389 1.0000 + Ho Ho253 1.0 0.99897 0.81147 0.45389 1.0000 + Ho Ho254 1.0 0.99897 0.87397 0.45389 1.0000 + Ho Ho255 1.0 0.99897 0.93647 0.45389 1.0000 + Ho Ho256 1.0 0.99897 0.99897 0.45389 1.0000 + S S1 1.0 0.03022 0.03022 0.54611 1.0000 + S S2 1.0 0.03022 0.09272 0.54611 1.0000 + S S3 1.0 0.03022 0.15522 0.54611 1.0000 + S S4 1.0 0.03022 0.21772 0.54611 1.0000 + S S5 1.0 0.03022 0.28022 0.54611 1.0000 + S S6 1.0 0.03022 0.34272 0.54611 1.0000 + S S7 1.0 0.03022 0.40522 0.54611 1.0000 + S S8 1.0 0.03022 0.46772 0.54611 1.0000 + S S9 1.0 0.03022 0.53022 0.54611 1.0000 + S S10 1.0 0.03022 0.59272 0.54611 1.0000 + S S11 1.0 0.03022 0.65522 0.54611 1.0000 + S S12 1.0 0.03022 0.71772 0.54611 1.0000 + S S13 1.0 0.03022 0.78022 0.54611 1.0000 + S S14 1.0 0.03022 0.84272 0.54611 1.0000 + S S15 1.0 0.03022 0.90522 0.54611 1.0000 + S S16 1.0 0.03022 0.96772 0.54611 1.0000 + S S17 1.0 0.09272 0.03022 0.54611 1.0000 + S S18 1.0 0.09272 0.09272 0.54611 1.0000 + S S19 1.0 0.09272 0.15522 0.54611 1.0000 + S S20 1.0 0.09272 0.21772 0.54611 1.0000 + S S21 1.0 0.09272 0.28022 0.54611 1.0000 + S S22 1.0 0.09272 0.34272 0.54611 1.0000 + S S23 1.0 0.09272 0.40522 0.54611 1.0000 + S S24 1.0 0.09272 0.46772 0.54611 1.0000 + S S25 1.0 0.09272 0.53022 0.54611 1.0000 + S S26 1.0 0.09272 0.59272 0.54611 1.0000 + S S27 1.0 0.09272 0.65522 0.54611 1.0000 + S S28 1.0 0.09272 0.71772 0.54611 1.0000 + S S29 1.0 0.09272 0.78022 0.54611 1.0000 + S S30 1.0 0.09272 0.84272 0.54611 1.0000 + S S31 1.0 0.09272 0.90522 0.54611 1.0000 + S S32 1.0 0.09272 0.96772 0.54611 1.0000 + S S33 1.0 0.15522 0.03022 0.54611 1.0000 + S S34 1.0 0.15522 0.09272 0.54611 1.0000 + S S35 1.0 0.15522 0.15522 0.54611 1.0000 + S S36 1.0 0.15522 0.21772 0.54611 1.0000 + S S37 1.0 0.15522 0.28022 0.54611 1.0000 + S S38 1.0 0.15522 0.34272 0.54611 1.0000 + S S39 1.0 0.15522 0.40522 0.54611 1.0000 + S S40 1.0 0.15522 0.46772 0.54611 1.0000 + S S41 1.0 0.15522 0.53022 0.54611 1.0000 + S S42 1.0 0.15522 0.59272 0.54611 1.0000 + S S43 1.0 0.15522 0.65522 0.54611 1.0000 + S S44 1.0 0.15522 0.71772 0.54611 1.0000 + S S45 1.0 0.15522 0.78022 0.54611 1.0000 + S S46 1.0 0.15522 0.84272 0.54611 1.0000 + S S47 1.0 0.15522 0.90522 0.54611 1.0000 + S S48 1.0 0.15522 0.96772 0.54611 1.0000 + S S49 1.0 0.21772 0.03022 0.54611 1.0000 + S S50 1.0 0.21772 0.09272 0.54611 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S74 1.0 0.28022 0.59272 0.54611 1.0000 + S S75 1.0 0.28022 0.65522 0.54611 1.0000 + S S76 1.0 0.28022 0.71772 0.54611 1.0000 + S S77 1.0 0.28022 0.78022 0.54611 1.0000 + S S78 1.0 0.28022 0.84272 0.54611 1.0000 + S S79 1.0 0.28022 0.90522 0.54611 1.0000 + S S80 1.0 0.28022 0.96772 0.54611 1.0000 + S S81 1.0 0.34272 0.03022 0.54611 1.0000 + S S82 1.0 0.34272 0.09272 0.54611 1.0000 + S S83 1.0 0.34272 0.15522 0.54611 1.0000 + S S84 1.0 0.34272 0.21772 0.54611 1.0000 + S S85 1.0 0.34272 0.28022 0.54611 1.0000 + S S86 1.0 0.34272 0.34272 0.54611 1.0000 + S S87 1.0 0.34272 0.40522 0.54611 1.0000 + S S88 1.0 0.34272 0.46772 0.54611 1.0000 + S S89 1.0 0.34272 0.53022 0.54611 1.0000 + S S90 1.0 0.34272 0.59272 0.54611 1.0000 + S S91 1.0 0.34272 0.65522 0.54611 1.0000 + S S92 1.0 0.34272 0.71772 0.54611 1.0000 + S S93 1.0 0.34272 0.78022 0.54611 1.0000 + S S94 1.0 0.34272 0.84272 0.54611 1.0000 + S S95 1.0 0.34272 0.90522 0.54611 1.0000 + S S96 1.0 0.34272 0.96772 0.54611 1.0000 + S S97 1.0 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1.0 0.71772 0.71772 0.54611 1.0000 + S S189 1.0 0.71772 0.78022 0.54611 1.0000 + S S190 1.0 0.71772 0.84272 0.54611 1.0000 + S S191 1.0 0.71772 0.90522 0.54611 1.0000 + S S192 1.0 0.71772 0.96772 0.54611 1.0000 + S S193 1.0 0.78022 0.03022 0.54611 1.0000 + S S194 1.0 0.78022 0.09272 0.54611 1.0000 + S S195 1.0 0.78022 0.15522 0.54611 1.0000 + S S196 1.0 0.78022 0.21772 0.54611 1.0000 + S S197 1.0 0.78022 0.28022 0.54611 1.0000 + S S198 1.0 0.78022 0.34272 0.54611 1.0000 + S S199 1.0 0.78022 0.40522 0.54611 1.0000 + S S200 1.0 0.78022 0.46772 0.54611 1.0000 + S S201 1.0 0.78022 0.53022 0.54611 1.0000 + S S202 1.0 0.78022 0.59272 0.54611 1.0000 + S S203 1.0 0.78022 0.65522 0.54611 1.0000 + S S204 1.0 0.78022 0.71772 0.54611 1.0000 + S S205 1.0 0.78022 0.78022 0.54611 1.0000 + S S206 1.0 0.78022 0.84272 0.54611 1.0000 + S S207 1.0 0.78022 0.90522 0.54611 1.0000 + S S208 1.0 0.78022 0.96772 0.54611 1.0000 + S S209 1.0 0.84272 0.03022 0.54611 1.0000 + S S210 1.0 0.84272 0.09272 0.54611 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0.53022 0.54611 1.0000 + S S234 1.0 0.90522 0.59272 0.54611 1.0000 + S S235 1.0 0.90522 0.65522 0.54611 1.0000 + S S236 1.0 0.90522 0.71772 0.54611 1.0000 + S S237 1.0 0.90522 0.78022 0.54611 1.0000 + S S238 1.0 0.90522 0.84272 0.54611 1.0000 + S S239 1.0 0.90522 0.90522 0.54611 1.0000 + S S240 1.0 0.90522 0.96772 0.54611 1.0000 + S S241 1.0 0.96772 0.03022 0.54611 1.0000 + S S242 1.0 0.96772 0.09272 0.54611 1.0000 + S S243 1.0 0.96772 0.15522 0.54611 1.0000 + S S244 1.0 0.96772 0.21772 0.54611 1.0000 + S S245 1.0 0.96772 0.28022 0.54611 1.0000 + S S246 1.0 0.96772 0.34272 0.54611 1.0000 + S S247 1.0 0.96772 0.40522 0.54611 1.0000 + S S248 1.0 0.96772 0.46772 0.54611 1.0000 + S S249 1.0 0.96772 0.53022 0.54611 1.0000 + S S250 1.0 0.96772 0.59272 0.54611 1.0000 + S S251 1.0 0.96772 0.65522 0.54611 1.0000 + S S252 1.0 0.96772 0.71772 0.54611 1.0000 + S S253 1.0 0.96772 0.78022 0.54611 1.0000 + S S254 1.0 0.96772 0.84272 0.54611 1.0000 + S S255 1.0 0.96772 0.90522 0.54611 1.0000 + S S256 1.0 0.96772 0.96772 0.54611 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4367_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4367_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..3c45a7a957764d8765a61f5ba16d5470d3f2a53f --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4367_supercell_12x12x1.cif @@ -0,0 +1,3481 @@ +data_image0 +_chemical_formula_structural Mn432Cr144O1152Mn432Cr144O1152 +_chemical_formula_sum "Mn864 Cr288 O2304" +_cell_length_a 121.491 +_cell_length_b 70.1401 +_cell_length_c 5.91708 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Mn Mn1 1.0 0.99288 0.06266 0.50020 1.0000 + Mn Mn2 1.0 0.95121 0.10433 0.50020 1.0000 + Mn Mn3 1.0 0.90954 0.14600 0.50020 1.0000 + Mn Mn4 1.0 0.86788 0.18766 0.50020 1.0000 + Mn Mn5 1.0 0.82621 0.22933 0.50020 1.0000 + Mn Mn6 1.0 0.78454 0.27100 0.50020 1.0000 + Mn Mn7 1.0 0.74288 0.31266 0.50020 1.0000 + Mn Mn8 1.0 0.70121 0.35433 0.50020 1.0000 + Mn Mn9 1.0 0.65954 0.39600 0.50020 1.0000 + Mn Mn10 1.0 0.61788 0.43766 0.50020 1.0000 + Mn Mn11 1.0 0.57621 0.47933 0.50020 1.0000 + Mn Mn12 1.0 0.53454 0.52100 0.50020 1.0000 + Mn Mn13 1.0 0.03454 0.10433 0.50020 1.0000 + Mn Mn14 1.0 0.99288 0.14600 0.50020 1.0000 + Mn Mn15 1.0 0.95121 0.18766 0.50020 1.0000 + Mn Mn16 1.0 0.90954 0.22933 0.50020 1.0000 + Mn Mn17 1.0 0.86788 0.27100 0.50020 1.0000 + Mn Mn18 1.0 0.82621 0.31266 0.50020 1.0000 + Mn Mn19 1.0 0.78454 0.35433 0.50020 1.0000 + Mn Mn20 1.0 0.74288 0.39600 0.50020 1.0000 + Mn Mn21 1.0 0.70121 0.43766 0.50020 1.0000 + Mn Mn22 1.0 0.65954 0.47933 0.50020 1.0000 + Mn Mn23 1.0 0.61788 0.52100 0.50020 1.0000 + Mn Mn24 1.0 0.57621 0.56266 0.50020 1.0000 + Mn Mn25 1.0 0.07621 0.14600 0.50020 1.0000 + Mn Mn26 1.0 0.03454 0.18766 0.50020 1.0000 + Mn Mn27 1.0 0.99288 0.22933 0.50020 1.0000 + Mn Mn28 1.0 0.95121 0.27100 0.50020 1.0000 + Mn Mn29 1.0 0.90954 0.31266 0.50020 1.0000 + Mn Mn30 1.0 0.86788 0.35433 0.50020 1.0000 + Mn Mn31 1.0 0.82621 0.39600 0.50020 1.0000 + Mn Mn32 1.0 0.78454 0.43766 0.50020 1.0000 + Mn Mn33 1.0 0.74288 0.47933 0.50020 1.0000 + Mn Mn34 1.0 0.70121 0.52100 0.50020 1.0000 + Mn Mn35 1.0 0.65954 0.56266 0.50020 1.0000 + Mn Mn36 1.0 0.61788 0.60433 0.50020 1.0000 + Mn Mn37 1.0 0.11788 0.18766 0.50020 1.0000 + Mn Mn38 1.0 0.07621 0.22933 0.50020 1.0000 + Mn Mn39 1.0 0.03454 0.27100 0.50020 1.0000 + Mn Mn40 1.0 0.99288 0.31266 0.50020 1.0000 + Mn Mn41 1.0 0.95121 0.35433 0.50020 1.0000 + Mn Mn42 1.0 0.90954 0.39600 0.50020 1.0000 + Mn Mn43 1.0 0.86788 0.43766 0.50020 1.0000 + Mn Mn44 1.0 0.82621 0.47933 0.50020 1.0000 + Mn Mn45 1.0 0.78454 0.52100 0.50020 1.0000 + Mn Mn46 1.0 0.74288 0.56266 0.50020 1.0000 + Mn Mn47 1.0 0.70121 0.60433 0.50020 1.0000 + Mn Mn48 1.0 0.65954 0.64600 0.50020 1.0000 + Mn Mn49 1.0 0.15954 0.22933 0.50020 1.0000 + Mn Mn50 1.0 0.11788 0.27100 0.50020 1.0000 + Mn Mn51 1.0 0.07621 0.31266 0.50020 1.0000 + Mn Mn52 1.0 0.03454 0.35433 0.50020 1.0000 + Mn Mn53 1.0 0.99288 0.39600 0.50020 1.0000 + Mn Mn54 1.0 0.95121 0.43766 0.50020 1.0000 + Mn Mn55 1.0 0.90954 0.47933 0.50020 1.0000 + Mn Mn56 1.0 0.86788 0.52100 0.50020 1.0000 + Mn Mn57 1.0 0.82621 0.56266 0.50020 1.0000 + Mn Mn58 1.0 0.78454 0.60433 0.50020 1.0000 + Mn Mn59 1.0 0.74288 0.64600 0.50020 1.0000 + Mn Mn60 1.0 0.70121 0.68766 0.50020 1.0000 + Mn Mn61 1.0 0.20121 0.27100 0.50020 1.0000 + Mn Mn62 1.0 0.15954 0.31266 0.50020 1.0000 + Mn Mn63 1.0 0.11788 0.35433 0.50020 1.0000 + Mn Mn64 1.0 0.07621 0.39600 0.50020 1.0000 + Mn Mn65 1.0 0.03454 0.43766 0.50020 1.0000 + Mn Mn66 1.0 0.99288 0.47933 0.50020 1.0000 + Mn Mn67 1.0 0.95121 0.52100 0.50020 1.0000 + Mn Mn68 1.0 0.90954 0.56266 0.50020 1.0000 + Mn Mn69 1.0 0.86788 0.60433 0.50020 1.0000 + Mn Mn70 1.0 0.82621 0.64600 0.50020 1.0000 + Mn Mn71 1.0 0.78454 0.68766 0.50020 1.0000 + Mn Mn72 1.0 0.74288 0.72933 0.50020 1.0000 + Mn Mn73 1.0 0.24288 0.31266 0.50020 1.0000 + Mn Mn74 1.0 0.20121 0.35433 0.50020 1.0000 + Mn Mn75 1.0 0.15954 0.39600 0.50020 1.0000 + Mn Mn76 1.0 0.11788 0.43766 0.50020 1.0000 + Mn Mn77 1.0 0.07621 0.47933 0.50020 1.0000 + Mn Mn78 1.0 0.03454 0.52100 0.50020 1.0000 + Mn Mn79 1.0 0.99288 0.56266 0.50020 1.0000 + Mn Mn80 1.0 0.95121 0.60433 0.50020 1.0000 + Mn Mn81 1.0 0.90954 0.64600 0.50020 1.0000 + Mn Mn82 1.0 0.86788 0.68766 0.50020 1.0000 + Mn Mn83 1.0 0.82621 0.72933 0.50020 1.0000 + Mn Mn84 1.0 0.78454 0.77100 0.50020 1.0000 + Mn Mn85 1.0 0.28454 0.35433 0.50020 1.0000 + Mn Mn86 1.0 0.24288 0.39600 0.50020 1.0000 + Mn Mn87 1.0 0.20121 0.43766 0.50020 1.0000 + Mn Mn88 1.0 0.15954 0.47933 0.50020 1.0000 + Mn Mn89 1.0 0.11788 0.52100 0.50020 1.0000 + Mn Mn90 1.0 0.07621 0.56266 0.50020 1.0000 + Mn Mn91 1.0 0.03454 0.60433 0.50020 1.0000 + Mn Mn92 1.0 0.99288 0.64600 0.50020 1.0000 + Mn Mn93 1.0 0.95121 0.68766 0.50020 1.0000 + Mn Mn94 1.0 0.90954 0.72933 0.50020 1.0000 + Mn Mn95 1.0 0.86788 0.77100 0.50020 1.0000 + Mn Mn96 1.0 0.82621 0.81266 0.50020 1.0000 + Mn Mn97 1.0 0.32621 0.39600 0.50020 1.0000 + Mn Mn98 1.0 0.28454 0.43766 0.50020 1.0000 + Mn Mn99 1.0 0.24288 0.47933 0.50020 1.0000 + Mn Mn100 1.0 0.20121 0.52100 0.50020 1.0000 + Mn Mn101 1.0 0.15954 0.56266 0.50020 1.0000 + Mn Mn102 1.0 0.11788 0.60433 0.50020 1.0000 + Mn Mn103 1.0 0.07621 0.64600 0.50020 1.0000 + Mn Mn104 1.0 0.03454 0.68766 0.50020 1.0000 + Mn Mn105 1.0 0.99288 0.72933 0.50020 1.0000 + Mn Mn106 1.0 0.95121 0.77100 0.50020 1.0000 + Mn Mn107 1.0 0.90954 0.81266 0.50020 1.0000 + Mn Mn108 1.0 0.86788 0.85433 0.50020 1.0000 + Mn Mn109 1.0 0.36788 0.43766 0.50020 1.0000 + Mn Mn110 1.0 0.32621 0.47933 0.50020 1.0000 + Mn Mn111 1.0 0.28454 0.52100 0.50020 1.0000 + Mn Mn112 1.0 0.24288 0.56266 0.50020 1.0000 + Mn Mn113 1.0 0.20121 0.60433 0.50020 1.0000 + Mn Mn114 1.0 0.15954 0.64600 0.50020 1.0000 + Mn Mn115 1.0 0.11788 0.68766 0.50020 1.0000 + Mn Mn116 1.0 0.07621 0.72933 0.50020 1.0000 + Mn Mn117 1.0 0.03454 0.77100 0.50020 1.0000 + Mn Mn118 1.0 0.99288 0.81266 0.50020 1.0000 + Mn Mn119 1.0 0.95121 0.85433 0.50020 1.0000 + Mn Mn120 1.0 0.90954 0.89600 0.50020 1.0000 + Mn Mn121 1.0 0.40954 0.47933 0.50020 1.0000 + Mn Mn122 1.0 0.36788 0.52100 0.50020 1.0000 + Mn Mn123 1.0 0.32621 0.56266 0.50020 1.0000 + Mn Mn124 1.0 0.28454 0.60433 0.50020 1.0000 + Mn Mn125 1.0 0.24288 0.64600 0.50020 1.0000 + Mn Mn126 1.0 0.20121 0.68766 0.50020 1.0000 + Mn Mn127 1.0 0.15954 0.72933 0.50020 1.0000 + Mn Mn128 1.0 0.11788 0.77100 0.50020 1.0000 + Mn Mn129 1.0 0.07621 0.81266 0.50020 1.0000 + Mn Mn130 1.0 0.03454 0.85433 0.50020 1.0000 + Mn Mn131 1.0 0.99288 0.89600 0.50020 1.0000 + Mn Mn132 1.0 0.95121 0.93766 0.50020 1.0000 + Mn Mn133 1.0 0.45121 0.52100 0.50020 1.0000 + Mn Mn134 1.0 0.40954 0.56266 0.50020 1.0000 + Mn Mn135 1.0 0.36788 0.60433 0.50020 1.0000 + Mn Mn136 1.0 0.32621 0.64600 0.50020 1.0000 + Mn Mn137 1.0 0.28454 0.68766 0.50020 1.0000 + Mn Mn138 1.0 0.24288 0.72933 0.50020 1.0000 + Mn Mn139 1.0 0.20121 0.77100 0.50020 1.0000 + Mn Mn140 1.0 0.15954 0.81266 0.50020 1.0000 + Mn Mn141 1.0 0.11788 0.85433 0.50020 1.0000 + Mn Mn142 1.0 0.07621 0.89600 0.50020 1.0000 + Mn Mn143 1.0 0.03454 0.93766 0.50020 1.0000 + Mn Mn144 1.0 0.99288 0.97933 0.50020 1.0000 + Mn Mn145 1.0 0.99287 0.02099 0.50009 1.0000 + Mn Mn146 1.0 0.95120 0.06266 0.50009 1.0000 + Mn Mn147 1.0 0.90954 0.10432 0.50009 1.0000 + Mn Mn148 1.0 0.86787 0.14599 0.50009 1.0000 + Mn Mn149 1.0 0.82620 0.18766 0.50009 1.0000 + Mn Mn150 1.0 0.78454 0.22932 0.50009 1.0000 + Mn Mn151 1.0 0.74287 0.27099 0.50009 1.0000 + Mn Mn152 1.0 0.70120 0.31266 0.50009 1.0000 + Mn Mn153 1.0 0.65954 0.35432 0.50009 1.0000 + Mn Mn154 1.0 0.61787 0.39599 0.50009 1.0000 + Mn Mn155 1.0 0.57620 0.43766 0.50009 1.0000 + Mn Mn156 1.0 0.53454 0.47932 0.50009 1.0000 + Mn Mn157 1.0 0.03454 0.06266 0.50009 1.0000 + Mn Mn158 1.0 0.99287 0.10432 0.50009 1.0000 + Mn Mn159 1.0 0.95120 0.14599 0.50009 1.0000 + Mn Mn160 1.0 0.90954 0.18766 0.50009 1.0000 + Mn Mn161 1.0 0.86787 0.22932 0.50009 1.0000 + Mn Mn162 1.0 0.82620 0.27099 0.50009 1.0000 + Mn Mn163 1.0 0.78454 0.31266 0.50009 1.0000 + Mn Mn164 1.0 0.74287 0.35432 0.50009 1.0000 + Mn Mn165 1.0 0.70120 0.39599 0.50009 1.0000 + Mn Mn166 1.0 0.65954 0.43766 0.50009 1.0000 + Mn Mn167 1.0 0.61787 0.47932 0.50009 1.0000 + Mn Mn168 1.0 0.57620 0.52099 0.50009 1.0000 + Mn Mn169 1.0 0.07620 0.10432 0.50009 1.0000 + Mn Mn170 1.0 0.03454 0.14599 0.50009 1.0000 + Mn Mn171 1.0 0.99287 0.18766 0.50009 1.0000 + Mn Mn172 1.0 0.95120 0.22932 0.50009 1.0000 + Mn Mn173 1.0 0.90954 0.27099 0.50009 1.0000 + Mn Mn174 1.0 0.86787 0.31266 0.50009 1.0000 + Mn Mn175 1.0 0.82620 0.35432 0.50009 1.0000 + Mn Mn176 1.0 0.78454 0.39599 0.50009 1.0000 + Mn Mn177 1.0 0.74287 0.43766 0.50009 1.0000 + Mn Mn178 1.0 0.70120 0.47932 0.50009 1.0000 + Mn Mn179 1.0 0.65954 0.52099 0.50009 1.0000 + Mn Mn180 1.0 0.61787 0.56266 0.50009 1.0000 + Mn Mn181 1.0 0.11787 0.14599 0.50009 1.0000 + Mn Mn182 1.0 0.07620 0.18766 0.50009 1.0000 + Mn Mn183 1.0 0.03454 0.22932 0.50009 1.0000 + Mn Mn184 1.0 0.99287 0.27099 0.50009 1.0000 + Mn Mn185 1.0 0.95120 0.31266 0.50009 1.0000 + Mn Mn186 1.0 0.90954 0.35432 0.50009 1.0000 + Mn Mn187 1.0 0.86787 0.39599 0.50009 1.0000 + Mn Mn188 1.0 0.82620 0.43766 0.50009 1.0000 + Mn Mn189 1.0 0.78454 0.47932 0.50009 1.0000 + Mn Mn190 1.0 0.74287 0.52099 0.50009 1.0000 + Mn Mn191 1.0 0.70120 0.56266 0.50009 1.0000 + Mn Mn192 1.0 0.65954 0.60432 0.50009 1.0000 + Mn Mn193 1.0 0.15954 0.18766 0.50009 1.0000 + Mn Mn194 1.0 0.11787 0.22932 0.50009 1.0000 + Mn Mn195 1.0 0.07620 0.27099 0.50009 1.0000 + Mn Mn196 1.0 0.03454 0.31266 0.50009 1.0000 + Mn Mn197 1.0 0.99287 0.35432 0.50009 1.0000 + Mn Mn198 1.0 0.95120 0.39599 0.50009 1.0000 + Mn Mn199 1.0 0.90954 0.43766 0.50009 1.0000 + Mn Mn200 1.0 0.86787 0.47932 0.50009 1.0000 + Mn Mn201 1.0 0.82620 0.52099 0.50009 1.0000 + Mn Mn202 1.0 0.78454 0.56266 0.50009 1.0000 + Mn Mn203 1.0 0.74287 0.60432 0.50009 1.0000 + Mn Mn204 1.0 0.70120 0.64599 0.50009 1.0000 + Mn Mn205 1.0 0.20120 0.22932 0.50009 1.0000 + Mn Mn206 1.0 0.15954 0.27099 0.50009 1.0000 + Mn Mn207 1.0 0.11787 0.31266 0.50009 1.0000 + Mn Mn208 1.0 0.07620 0.35432 0.50009 1.0000 + Mn Mn209 1.0 0.03454 0.39599 0.50009 1.0000 + Mn Mn210 1.0 0.99287 0.43766 0.50009 1.0000 + Mn Mn211 1.0 0.95120 0.47932 0.50009 1.0000 + Mn Mn212 1.0 0.90954 0.52099 0.50009 1.0000 + Mn Mn213 1.0 0.86787 0.56266 0.50009 1.0000 + Mn Mn214 1.0 0.82620 0.60432 0.50009 1.0000 + Mn Mn215 1.0 0.78454 0.64599 0.50009 1.0000 + Mn Mn216 1.0 0.74287 0.68766 0.50009 1.0000 + Mn Mn217 1.0 0.24287 0.27099 0.50009 1.0000 + Mn Mn218 1.0 0.20120 0.31266 0.50009 1.0000 + Mn Mn219 1.0 0.15954 0.35432 0.50009 1.0000 + Mn Mn220 1.0 0.11787 0.39599 0.50009 1.0000 + Mn Mn221 1.0 0.07620 0.43766 0.50009 1.0000 + Mn Mn222 1.0 0.03454 0.47932 0.50009 1.0000 + Mn Mn223 1.0 0.99287 0.52099 0.50009 1.0000 + Mn Mn224 1.0 0.95120 0.56266 0.50009 1.0000 + Mn Mn225 1.0 0.90954 0.60432 0.50009 1.0000 + Mn Mn226 1.0 0.86787 0.64599 0.50009 1.0000 + Mn Mn227 1.0 0.82620 0.68766 0.50009 1.0000 + Mn Mn228 1.0 0.78454 0.72932 0.50009 1.0000 + Mn Mn229 1.0 0.28454 0.31266 0.50009 1.0000 + Mn Mn230 1.0 0.24287 0.35432 0.50009 1.0000 + Mn Mn231 1.0 0.20120 0.39599 0.50009 1.0000 + Mn Mn232 1.0 0.15954 0.43766 0.50009 1.0000 + Mn Mn233 1.0 0.11787 0.47932 0.50009 1.0000 + Mn Mn234 1.0 0.07620 0.52099 0.50009 1.0000 + Mn Mn235 1.0 0.03454 0.56266 0.50009 1.0000 + Mn Mn236 1.0 0.99287 0.60432 0.50009 1.0000 + Mn Mn237 1.0 0.95120 0.64599 0.50009 1.0000 + Mn Mn238 1.0 0.90954 0.68766 0.50009 1.0000 + Mn Mn239 1.0 0.86787 0.72932 0.50009 1.0000 + Mn Mn240 1.0 0.82620 0.77099 0.50009 1.0000 + Mn Mn241 1.0 0.32620 0.35432 0.50009 1.0000 + Mn Mn242 1.0 0.28454 0.39599 0.50009 1.0000 + Mn Mn243 1.0 0.24287 0.43766 0.50009 1.0000 + Mn Mn244 1.0 0.20120 0.47932 0.50009 1.0000 + Mn Mn245 1.0 0.15954 0.52099 0.50009 1.0000 + Mn Mn246 1.0 0.11787 0.56266 0.50009 1.0000 + Mn Mn247 1.0 0.07620 0.60432 0.50009 1.0000 + Mn Mn248 1.0 0.03454 0.64599 0.50009 1.0000 + Mn Mn249 1.0 0.99287 0.68766 0.50009 1.0000 + Mn Mn250 1.0 0.95120 0.72932 0.50009 1.0000 + Mn Mn251 1.0 0.90954 0.77099 0.50009 1.0000 + Mn Mn252 1.0 0.86787 0.81266 0.50009 1.0000 + Mn Mn253 1.0 0.36787 0.39599 0.50009 1.0000 + Mn Mn254 1.0 0.32620 0.43766 0.50009 1.0000 + Mn Mn255 1.0 0.28454 0.47932 0.50009 1.0000 + Mn Mn256 1.0 0.24287 0.52099 0.50009 1.0000 + Mn Mn257 1.0 0.20120 0.56266 0.50009 1.0000 + Mn Mn258 1.0 0.15954 0.60432 0.50009 1.0000 + Mn Mn259 1.0 0.11787 0.64599 0.50009 1.0000 + Mn Mn260 1.0 0.07620 0.68766 0.50009 1.0000 + Mn Mn261 1.0 0.03454 0.72932 0.50009 1.0000 + Mn Mn262 1.0 0.99287 0.77099 0.50009 1.0000 + Mn Mn263 1.0 0.95120 0.81266 0.50009 1.0000 + Mn Mn264 1.0 0.90954 0.85432 0.50009 1.0000 + Mn Mn265 1.0 0.40954 0.43766 0.50009 1.0000 + Mn Mn266 1.0 0.36787 0.47932 0.50009 1.0000 + Mn Mn267 1.0 0.32620 0.52099 0.50009 1.0000 + Mn Mn268 1.0 0.28454 0.56266 0.50009 1.0000 + Mn Mn269 1.0 0.24287 0.60432 0.50009 1.0000 + Mn Mn270 1.0 0.20120 0.64599 0.50009 1.0000 + Mn Mn271 1.0 0.15954 0.68766 0.50009 1.0000 + Mn Mn272 1.0 0.11787 0.72932 0.50009 1.0000 + Mn Mn273 1.0 0.07620 0.77099 0.50009 1.0000 + Mn Mn274 1.0 0.03454 0.81266 0.50009 1.0000 + Mn Mn275 1.0 0.99287 0.85432 0.50009 1.0000 + Mn Mn276 1.0 0.95120 0.89599 0.50009 1.0000 + Mn Mn277 1.0 0.45120 0.47932 0.50009 1.0000 + Mn Mn278 1.0 0.40954 0.52099 0.50009 1.0000 + Mn Mn279 1.0 0.36787 0.56266 0.50009 1.0000 + Mn Mn280 1.0 0.32620 0.60432 0.50009 1.0000 + Mn Mn281 1.0 0.28454 0.64599 0.50009 1.0000 + Mn Mn282 1.0 0.24287 0.68766 0.50009 1.0000 + Mn Mn283 1.0 0.20120 0.72932 0.50009 1.0000 + Mn Mn284 1.0 0.15954 0.77099 0.50009 1.0000 + Mn Mn285 1.0 0.11787 0.81266 0.50009 1.0000 + Mn Mn286 1.0 0.07620 0.85432 0.50009 1.0000 + Mn Mn287 1.0 0.03454 0.89599 0.50009 1.0000 + Mn Mn288 1.0 0.99287 0.93766 0.50009 1.0000 + Mn Mn289 1.0 0.97204 0.04183 0.49980 1.0000 + Mn Mn290 1.0 0.93037 0.08349 0.49980 1.0000 + Mn Mn291 1.0 0.88871 0.12516 0.49980 1.0000 + Mn Mn292 1.0 0.84704 0.16683 0.49980 1.0000 + Mn Mn293 1.0 0.80537 0.20849 0.49980 1.0000 + Mn Mn294 1.0 0.76371 0.25016 0.49980 1.0000 + Mn Mn295 1.0 0.72204 0.29183 0.49980 1.0000 + Mn Mn296 1.0 0.68037 0.33349 0.49980 1.0000 + Mn Mn297 1.0 0.63871 0.37516 0.49980 1.0000 + Mn Mn298 1.0 0.59704 0.41683 0.49980 1.0000 + Mn Mn299 1.0 0.55537 0.45849 0.49980 1.0000 + Mn Mn300 1.0 0.51371 0.50016 0.49980 1.0000 + Mn Mn301 1.0 0.01371 0.08349 0.49980 1.0000 + Mn Mn302 1.0 0.97204 0.12516 0.49980 1.0000 + Mn Mn303 1.0 0.93037 0.16683 0.49980 1.0000 + Mn Mn304 1.0 0.88871 0.20849 0.49980 1.0000 + Mn Mn305 1.0 0.84704 0.25016 0.49980 1.0000 + Mn Mn306 1.0 0.80537 0.29183 0.49980 1.0000 + Mn Mn307 1.0 0.76371 0.33349 0.49980 1.0000 + Mn Mn308 1.0 0.72204 0.37516 0.49980 1.0000 + Mn Mn309 1.0 0.68037 0.41683 0.49980 1.0000 + Mn Mn310 1.0 0.63871 0.45849 0.49980 1.0000 + Mn Mn311 1.0 0.59704 0.50016 0.49980 1.0000 + Mn Mn312 1.0 0.55537 0.54183 0.49980 1.0000 + Mn Mn313 1.0 0.05537 0.12516 0.49980 1.0000 + Mn Mn314 1.0 0.01371 0.16683 0.49980 1.0000 + Mn Mn315 1.0 0.97204 0.20849 0.49980 1.0000 + Mn Mn316 1.0 0.93037 0.25016 0.49980 1.0000 + Mn Mn317 1.0 0.88871 0.29183 0.49980 1.0000 + Mn Mn318 1.0 0.84704 0.33349 0.49980 1.0000 + Mn Mn319 1.0 0.80537 0.37516 0.49980 1.0000 + Mn Mn320 1.0 0.76371 0.41683 0.49980 1.0000 + Mn Mn321 1.0 0.72204 0.45849 0.49980 1.0000 + Mn Mn322 1.0 0.68037 0.50016 0.49980 1.0000 + Mn Mn323 1.0 0.63871 0.54183 0.49980 1.0000 + Mn Mn324 1.0 0.59704 0.58349 0.49980 1.0000 + Mn Mn325 1.0 0.09704 0.16683 0.49980 1.0000 + Mn Mn326 1.0 0.05537 0.20849 0.49980 1.0000 + Mn Mn327 1.0 0.01371 0.25016 0.49980 1.0000 + Mn Mn328 1.0 0.97204 0.29183 0.49980 1.0000 + Mn Mn329 1.0 0.93037 0.33349 0.49980 1.0000 + Mn Mn330 1.0 0.88871 0.37516 0.49980 1.0000 + Mn Mn331 1.0 0.84704 0.41683 0.49980 1.0000 + Mn Mn332 1.0 0.80537 0.45849 0.49980 1.0000 + Mn Mn333 1.0 0.76371 0.50016 0.49980 1.0000 + Mn Mn334 1.0 0.72204 0.54183 0.49980 1.0000 + Mn Mn335 1.0 0.68037 0.58349 0.49980 1.0000 + Mn Mn336 1.0 0.63871 0.62516 0.49980 1.0000 + Mn Mn337 1.0 0.13871 0.20849 0.49980 1.0000 + Mn Mn338 1.0 0.09704 0.25016 0.49980 1.0000 + Mn Mn339 1.0 0.05537 0.29183 0.49980 1.0000 + Mn Mn340 1.0 0.01371 0.33349 0.49980 1.0000 + Mn Mn341 1.0 0.97204 0.37516 0.49980 1.0000 + Mn Mn342 1.0 0.93037 0.41683 0.49980 1.0000 + Mn Mn343 1.0 0.88871 0.45849 0.49980 1.0000 + Mn Mn344 1.0 0.84704 0.50016 0.49980 1.0000 + Mn Mn345 1.0 0.80537 0.54183 0.49980 1.0000 + Mn Mn346 1.0 0.76371 0.58349 0.49980 1.0000 + Mn Mn347 1.0 0.72204 0.62516 0.49980 1.0000 + Mn Mn348 1.0 0.68037 0.66683 0.49980 1.0000 + Mn Mn349 1.0 0.18037 0.25016 0.49980 1.0000 + Mn Mn350 1.0 0.13871 0.29183 0.49980 1.0000 + Mn Mn351 1.0 0.09704 0.33349 0.49980 1.0000 + Mn Mn352 1.0 0.05537 0.37516 0.49980 1.0000 + Mn Mn353 1.0 0.01371 0.41683 0.49980 1.0000 + Mn Mn354 1.0 0.97204 0.45849 0.49980 1.0000 + Mn Mn355 1.0 0.93037 0.50016 0.49980 1.0000 + Mn Mn356 1.0 0.88871 0.54183 0.49980 1.0000 + Mn Mn357 1.0 0.84704 0.58349 0.49980 1.0000 + Mn Mn358 1.0 0.80537 0.62516 0.49980 1.0000 + Mn Mn359 1.0 0.76371 0.66683 0.49980 1.0000 + Mn Mn360 1.0 0.72204 0.70849 0.49980 1.0000 + Mn Mn361 1.0 0.22204 0.29183 0.49980 1.0000 + Mn Mn362 1.0 0.18037 0.33349 0.49980 1.0000 + Mn Mn363 1.0 0.13871 0.37516 0.49980 1.0000 + Mn Mn364 1.0 0.09704 0.41683 0.49980 1.0000 + Mn Mn365 1.0 0.05537 0.45849 0.49980 1.0000 + Mn Mn366 1.0 0.01371 0.50016 0.49980 1.0000 + Mn Mn367 1.0 0.97204 0.54183 0.49980 1.0000 + Mn Mn368 1.0 0.93037 0.58349 0.49980 1.0000 + Mn Mn369 1.0 0.88871 0.62516 0.49980 1.0000 + Mn Mn370 1.0 0.84704 0.66683 0.49980 1.0000 + Mn Mn371 1.0 0.80537 0.70849 0.49980 1.0000 + Mn Mn372 1.0 0.76371 0.75016 0.49980 1.0000 + Mn Mn373 1.0 0.26371 0.33349 0.49980 1.0000 + Mn Mn374 1.0 0.22204 0.37516 0.49980 1.0000 + Mn Mn375 1.0 0.18037 0.41683 0.49980 1.0000 + Mn Mn376 1.0 0.13871 0.45849 0.49980 1.0000 + Mn Mn377 1.0 0.09704 0.50016 0.49980 1.0000 + Mn Mn378 1.0 0.05537 0.54183 0.49980 1.0000 + Mn Mn379 1.0 0.01371 0.58349 0.49980 1.0000 + Mn Mn380 1.0 0.97204 0.62516 0.49980 1.0000 + Mn Mn381 1.0 0.93037 0.66683 0.49980 1.0000 + Mn Mn382 1.0 0.88871 0.70849 0.49980 1.0000 + Mn Mn383 1.0 0.84704 0.75016 0.49980 1.0000 + Mn Mn384 1.0 0.80537 0.79183 0.49980 1.0000 + Mn Mn385 1.0 0.30537 0.37516 0.49980 1.0000 + Mn Mn386 1.0 0.26371 0.41683 0.49980 1.0000 + Mn Mn387 1.0 0.22204 0.45849 0.49980 1.0000 + Mn Mn388 1.0 0.18037 0.50016 0.49980 1.0000 + Mn Mn389 1.0 0.13871 0.54183 0.49980 1.0000 + Mn Mn390 1.0 0.09704 0.58349 0.49980 1.0000 + Mn Mn391 1.0 0.05537 0.62516 0.49980 1.0000 + Mn Mn392 1.0 0.01371 0.66683 0.49980 1.0000 + Mn Mn393 1.0 0.97204 0.70849 0.49980 1.0000 + Mn Mn394 1.0 0.93037 0.75016 0.49980 1.0000 + Mn Mn395 1.0 0.88871 0.79183 0.49980 1.0000 + Mn Mn396 1.0 0.84704 0.83349 0.49980 1.0000 + Mn Mn397 1.0 0.34704 0.41683 0.49980 1.0000 + Mn Mn398 1.0 0.30537 0.45849 0.49980 1.0000 + Mn Mn399 1.0 0.26371 0.50016 0.49980 1.0000 + Mn Mn400 1.0 0.22204 0.54183 0.49980 1.0000 + Mn Mn401 1.0 0.18037 0.58349 0.49980 1.0000 + Mn Mn402 1.0 0.13871 0.62516 0.49980 1.0000 + Mn Mn403 1.0 0.09704 0.66683 0.49980 1.0000 + Mn Mn404 1.0 0.05537 0.70849 0.49980 1.0000 + Mn Mn405 1.0 0.01371 0.75016 0.49980 1.0000 + Mn Mn406 1.0 0.97204 0.79183 0.49980 1.0000 + Mn Mn407 1.0 0.93037 0.83349 0.49980 1.0000 + Mn Mn408 1.0 0.88871 0.87516 0.49980 1.0000 + Mn Mn409 1.0 0.38871 0.45849 0.49980 1.0000 + Mn Mn410 1.0 0.34704 0.50016 0.49980 1.0000 + Mn Mn411 1.0 0.30537 0.54183 0.49980 1.0000 + Mn Mn412 1.0 0.26371 0.58349 0.49980 1.0000 + Mn Mn413 1.0 0.22204 0.62516 0.49980 1.0000 + Mn Mn414 1.0 0.18037 0.66683 0.49980 1.0000 + Mn Mn415 1.0 0.13871 0.70849 0.49980 1.0000 + Mn Mn416 1.0 0.09704 0.75016 0.49980 1.0000 + Mn Mn417 1.0 0.05537 0.79183 0.49980 1.0000 + Mn Mn418 1.0 0.01371 0.83349 0.49980 1.0000 + Mn Mn419 1.0 0.97204 0.87516 0.49980 1.0000 + Mn Mn420 1.0 0.93037 0.91683 0.49980 1.0000 + Mn Mn421 1.0 0.43037 0.50016 0.49980 1.0000 + Mn Mn422 1.0 0.38871 0.54183 0.49980 1.0000 + Mn Mn423 1.0 0.34704 0.58349 0.49980 1.0000 + Mn Mn424 1.0 0.30537 0.62516 0.49980 1.0000 + Mn Mn425 1.0 0.26371 0.66683 0.49980 1.0000 + Mn Mn426 1.0 0.22204 0.70849 0.49980 1.0000 + Mn Mn427 1.0 0.18037 0.75016 0.49980 1.0000 + Mn Mn428 1.0 0.13871 0.79183 0.49980 1.0000 + Mn Mn429 1.0 0.09704 0.83349 0.49980 1.0000 + Mn Mn430 1.0 0.05537 0.87516 0.49980 1.0000 + Mn Mn431 1.0 0.01371 0.91683 0.49980 1.0000 + Mn Mn432 1.0 0.97204 0.95849 0.49980 1.0000 + Cr Cr1 1.0 0.01372 0.04183 0.49851 1.0000 + Cr Cr2 1.0 0.97205 0.08350 0.49851 1.0000 + Cr Cr3 1.0 0.93038 0.12516 0.49851 1.0000 + Cr Cr4 1.0 0.88872 0.16683 0.49851 1.0000 + Cr Cr5 1.0 0.84705 0.20850 0.49851 1.0000 + Cr Cr6 1.0 0.80538 0.25016 0.49851 1.0000 + Cr Cr7 1.0 0.76372 0.29183 0.49851 1.0000 + Cr Cr8 1.0 0.72205 0.33350 0.49851 1.0000 + Cr Cr9 1.0 0.68038 0.37516 0.49851 1.0000 + Cr Cr10 1.0 0.63872 0.41683 0.49851 1.0000 + Cr Cr11 1.0 0.59705 0.45850 0.49851 1.0000 + Cr Cr12 1.0 0.55538 0.50016 0.49851 1.0000 + Cr Cr13 1.0 0.05538 0.08350 0.49851 1.0000 + Cr Cr14 1.0 0.01372 0.12516 0.49851 1.0000 + Cr Cr15 1.0 0.97205 0.16683 0.49851 1.0000 + Cr Cr16 1.0 0.93038 0.20850 0.49851 1.0000 + Cr Cr17 1.0 0.88872 0.25016 0.49851 1.0000 + Cr Cr18 1.0 0.84705 0.29183 0.49851 1.0000 + Cr Cr19 1.0 0.80538 0.33350 0.49851 1.0000 + Cr Cr20 1.0 0.76372 0.37516 0.49851 1.0000 + Cr Cr21 1.0 0.72205 0.41683 0.49851 1.0000 + Cr Cr22 1.0 0.68038 0.45850 0.49851 1.0000 + Cr Cr23 1.0 0.63872 0.50016 0.49851 1.0000 + Cr Cr24 1.0 0.59705 0.54183 0.49851 1.0000 + Cr Cr25 1.0 0.09705 0.12516 0.49851 1.0000 + Cr Cr26 1.0 0.05538 0.16683 0.49851 1.0000 + Cr Cr27 1.0 0.01372 0.20850 0.49851 1.0000 + Cr Cr28 1.0 0.97205 0.25016 0.49851 1.0000 + Cr Cr29 1.0 0.93038 0.29183 0.49851 1.0000 + Cr Cr30 1.0 0.88872 0.33350 0.49851 1.0000 + Cr Cr31 1.0 0.84705 0.37516 0.49851 1.0000 + Cr Cr32 1.0 0.80538 0.41683 0.49851 1.0000 + Cr Cr33 1.0 0.76372 0.45850 0.49851 1.0000 + Cr Cr34 1.0 0.72205 0.50016 0.49851 1.0000 + Cr Cr35 1.0 0.68038 0.54183 0.49851 1.0000 + Cr Cr36 1.0 0.63872 0.58350 0.49851 1.0000 + Cr Cr37 1.0 0.13872 0.16683 0.49851 1.0000 + Cr Cr38 1.0 0.09705 0.20850 0.49851 1.0000 + Cr Cr39 1.0 0.05538 0.25016 0.49851 1.0000 + Cr Cr40 1.0 0.01372 0.29183 0.49851 1.0000 + Cr Cr41 1.0 0.97205 0.33350 0.49851 1.0000 + Cr Cr42 1.0 0.93038 0.37516 0.49851 1.0000 + Cr Cr43 1.0 0.88872 0.41683 0.49851 1.0000 + Cr Cr44 1.0 0.84705 0.45850 0.49851 1.0000 + Cr Cr45 1.0 0.80538 0.50016 0.49851 1.0000 + Cr Cr46 1.0 0.76372 0.54183 0.49851 1.0000 + Cr Cr47 1.0 0.72205 0.58350 0.49851 1.0000 + Cr Cr48 1.0 0.68038 0.62516 0.49851 1.0000 + Cr Cr49 1.0 0.18038 0.20850 0.49851 1.0000 + Cr Cr50 1.0 0.13872 0.25016 0.49851 1.0000 + Cr Cr51 1.0 0.09705 0.29183 0.49851 1.0000 + Cr Cr52 1.0 0.05538 0.33350 0.49851 1.0000 + Cr Cr53 1.0 0.01372 0.37516 0.49851 1.0000 + Cr Cr54 1.0 0.97205 0.41683 0.49851 1.0000 + Cr Cr55 1.0 0.93038 0.45850 0.49851 1.0000 + Cr Cr56 1.0 0.88872 0.50016 0.49851 1.0000 + Cr Cr57 1.0 0.84705 0.54183 0.49851 1.0000 + Cr Cr58 1.0 0.80538 0.58350 0.49851 1.0000 + Cr Cr59 1.0 0.76372 0.62516 0.49851 1.0000 + Cr Cr60 1.0 0.72205 0.66683 0.49851 1.0000 + Cr Cr61 1.0 0.22205 0.25016 0.49851 1.0000 + Cr Cr62 1.0 0.18038 0.29183 0.49851 1.0000 + Cr Cr63 1.0 0.13872 0.33350 0.49851 1.0000 + Cr Cr64 1.0 0.09705 0.37516 0.49851 1.0000 + Cr Cr65 1.0 0.05538 0.41683 0.49851 1.0000 + Cr Cr66 1.0 0.01372 0.45850 0.49851 1.0000 + Cr Cr67 1.0 0.97205 0.50016 0.49851 1.0000 + Cr Cr68 1.0 0.93038 0.54183 0.49851 1.0000 + Cr Cr69 1.0 0.88872 0.58350 0.49851 1.0000 + Cr Cr70 1.0 0.84705 0.62516 0.49851 1.0000 + Cr Cr71 1.0 0.80538 0.66683 0.49851 1.0000 + Cr Cr72 1.0 0.76372 0.70850 0.49851 1.0000 + Cr Cr73 1.0 0.26372 0.29183 0.49851 1.0000 + Cr Cr74 1.0 0.22205 0.33350 0.49851 1.0000 + Cr Cr75 1.0 0.18038 0.37516 0.49851 1.0000 + Cr Cr76 1.0 0.13872 0.41683 0.49851 1.0000 + Cr Cr77 1.0 0.09705 0.45850 0.49851 1.0000 + Cr Cr78 1.0 0.05538 0.50016 0.49851 1.0000 + Cr Cr79 1.0 0.01372 0.54183 0.49851 1.0000 + Cr Cr80 1.0 0.97205 0.58350 0.49851 1.0000 + Cr Cr81 1.0 0.93038 0.62516 0.49851 1.0000 + Cr Cr82 1.0 0.88872 0.66683 0.49851 1.0000 + Cr Cr83 1.0 0.84705 0.70850 0.49851 1.0000 + Cr Cr84 1.0 0.80538 0.75016 0.49851 1.0000 + Cr Cr85 1.0 0.30538 0.33350 0.49851 1.0000 + Cr Cr86 1.0 0.26372 0.37516 0.49851 1.0000 + Cr Cr87 1.0 0.22205 0.41683 0.49851 1.0000 + Cr Cr88 1.0 0.18038 0.45850 0.49851 1.0000 + Cr Cr89 1.0 0.13872 0.50016 0.49851 1.0000 + Cr Cr90 1.0 0.09705 0.54183 0.49851 1.0000 + Cr Cr91 1.0 0.05538 0.58350 0.49851 1.0000 + Cr Cr92 1.0 0.01372 0.62516 0.49851 1.0000 + Cr Cr93 1.0 0.97205 0.66683 0.49851 1.0000 + Cr Cr94 1.0 0.93038 0.70850 0.49851 1.0000 + Cr Cr95 1.0 0.88872 0.75016 0.49851 1.0000 + Cr Cr96 1.0 0.84705 0.79183 0.49851 1.0000 + Cr Cr97 1.0 0.34705 0.37516 0.49851 1.0000 + Cr Cr98 1.0 0.30538 0.41683 0.49851 1.0000 + Cr Cr99 1.0 0.26372 0.45850 0.49851 1.0000 + Cr Cr100 1.0 0.22205 0.50016 0.49851 1.0000 + Cr Cr101 1.0 0.18038 0.54183 0.49851 1.0000 + Cr Cr102 1.0 0.13872 0.58350 0.49851 1.0000 + Cr Cr103 1.0 0.09705 0.62516 0.49851 1.0000 + Cr Cr104 1.0 0.05538 0.66683 0.49851 1.0000 + Cr Cr105 1.0 0.01372 0.70850 0.49851 1.0000 + Cr Cr106 1.0 0.97205 0.75016 0.49851 1.0000 + Cr Cr107 1.0 0.93038 0.79183 0.49851 1.0000 + Cr Cr108 1.0 0.88872 0.83350 0.49851 1.0000 + Cr Cr109 1.0 0.38872 0.41683 0.49851 1.0000 + Cr Cr110 1.0 0.34705 0.45850 0.49851 1.0000 + Cr Cr111 1.0 0.30538 0.50016 0.49851 1.0000 + Cr Cr112 1.0 0.26372 0.54183 0.49851 1.0000 + Cr Cr113 1.0 0.22205 0.58350 0.49851 1.0000 + Cr Cr114 1.0 0.18038 0.62516 0.49851 1.0000 + Cr Cr115 1.0 0.13872 0.66683 0.49851 1.0000 + Cr Cr116 1.0 0.09705 0.70850 0.49851 1.0000 + Cr Cr117 1.0 0.05538 0.75016 0.49851 1.0000 + Cr Cr118 1.0 0.01372 0.79183 0.49851 1.0000 + Cr Cr119 1.0 0.97205 0.83350 0.49851 1.0000 + Cr Cr120 1.0 0.93038 0.87516 0.49851 1.0000 + Cr Cr121 1.0 0.43038 0.45850 0.49851 1.0000 + Cr Cr122 1.0 0.38872 0.50016 0.49851 1.0000 + Cr Cr123 1.0 0.34705 0.54183 0.49851 1.0000 + Cr Cr124 1.0 0.30538 0.58350 0.49851 1.0000 + Cr Cr125 1.0 0.26372 0.62516 0.49851 1.0000 + Cr Cr126 1.0 0.22205 0.66683 0.49851 1.0000 + Cr Cr127 1.0 0.18038 0.70850 0.49851 1.0000 + Cr Cr128 1.0 0.13872 0.75016 0.49851 1.0000 + Cr Cr129 1.0 0.09705 0.79183 0.49851 1.0000 + Cr Cr130 1.0 0.05538 0.83350 0.49851 1.0000 + Cr Cr131 1.0 0.01372 0.87516 0.49851 1.0000 + Cr Cr132 1.0 0.97205 0.91683 0.49851 1.0000 + Cr Cr133 1.0 0.47205 0.50016 0.49851 1.0000 + Cr Cr134 1.0 0.43038 0.54183 0.49851 1.0000 + Cr Cr135 1.0 0.38872 0.58350 0.49851 1.0000 + Cr Cr136 1.0 0.34705 0.62516 0.49851 1.0000 + Cr Cr137 1.0 0.30538 0.66683 0.49851 1.0000 + Cr Cr138 1.0 0.26372 0.70850 0.49851 1.0000 + Cr Cr139 1.0 0.22205 0.75016 0.49851 1.0000 + Cr Cr140 1.0 0.18038 0.79183 0.49851 1.0000 + Cr Cr141 1.0 0.13872 0.83350 0.49851 1.0000 + Cr Cr142 1.0 0.09705 0.87516 0.49851 1.0000 + Cr Cr143 1.0 0.05538 0.91683 0.49851 1.0000 + Cr Cr144 1.0 0.01372 0.95850 0.49851 1.0000 + O O1 1.0 0.04148 0.04183 0.33800 1.0000 + O O2 1.0 0.99981 0.08350 0.33800 1.0000 + O O3 1.0 0.95814 0.12517 0.33800 1.0000 + O O4 1.0 0.91648 0.16683 0.33800 1.0000 + O O5 1.0 0.87481 0.20850 0.33800 1.0000 + O O6 1.0 0.83314 0.25017 0.33800 1.0000 + O O7 1.0 0.79148 0.29183 0.33800 1.0000 + O O8 1.0 0.74981 0.33350 0.33800 1.0000 + O O9 1.0 0.70814 0.37517 0.33800 1.0000 + O O10 1.0 0.66648 0.41683 0.33800 1.0000 + O O11 1.0 0.62481 0.45850 0.33800 1.0000 + O O12 1.0 0.58314 0.50017 0.33800 1.0000 + O O13 1.0 0.08314 0.08350 0.33800 1.0000 + O O14 1.0 0.04148 0.12517 0.33800 1.0000 + O O15 1.0 0.99981 0.16683 0.33800 1.0000 + O O16 1.0 0.95814 0.20850 0.33800 1.0000 + O O17 1.0 0.91648 0.25017 0.33800 1.0000 + O O18 1.0 0.87481 0.29183 0.33800 1.0000 + O O19 1.0 0.83314 0.33350 0.33800 1.0000 + O O20 1.0 0.79148 0.37517 0.33800 1.0000 + O O21 1.0 0.74981 0.41683 0.33800 1.0000 + O O22 1.0 0.70814 0.45850 0.33800 1.0000 + O O23 1.0 0.66648 0.50017 0.33800 1.0000 + O O24 1.0 0.62481 0.54183 0.33800 1.0000 + O O25 1.0 0.12481 0.12517 0.33800 1.0000 + O O26 1.0 0.08314 0.16683 0.33800 1.0000 + O O27 1.0 0.04148 0.20850 0.33800 1.0000 + O O28 1.0 0.99981 0.25017 0.33800 1.0000 + O O29 1.0 0.95814 0.29183 0.33800 1.0000 + O O30 1.0 0.91648 0.33350 0.33800 1.0000 + O O31 1.0 0.87481 0.37517 0.33800 1.0000 + O O32 1.0 0.83314 0.41683 0.33800 1.0000 + O O33 1.0 0.79148 0.45850 0.33800 1.0000 + O O34 1.0 0.74981 0.50017 0.33800 1.0000 + O O35 1.0 0.70814 0.54183 0.33800 1.0000 + O O36 1.0 0.66648 0.58350 0.33800 1.0000 + O O37 1.0 0.16648 0.16683 0.33800 1.0000 + O O38 1.0 0.12481 0.20850 0.33800 1.0000 + O O39 1.0 0.08314 0.25017 0.33800 1.0000 + O O40 1.0 0.04148 0.29183 0.33800 1.0000 + O O41 1.0 0.99981 0.33350 0.33800 1.0000 + O O42 1.0 0.95814 0.37517 0.33800 1.0000 + O O43 1.0 0.91648 0.41683 0.33800 1.0000 + O O44 1.0 0.87481 0.45850 0.33800 1.0000 + O O45 1.0 0.83314 0.50017 0.33800 1.0000 + O O46 1.0 0.79148 0.54183 0.33800 1.0000 + O O47 1.0 0.74981 0.58350 0.33800 1.0000 + O O48 1.0 0.70814 0.62517 0.33800 1.0000 + O O49 1.0 0.20814 0.20850 0.33800 1.0000 + O O50 1.0 0.16648 0.25017 0.33800 1.0000 + O O51 1.0 0.12481 0.29183 0.33800 1.0000 + O O52 1.0 0.08314 0.33350 0.33800 1.0000 + O O53 1.0 0.04148 0.37517 0.33800 1.0000 + O O54 1.0 0.99981 0.41683 0.33800 1.0000 + O O55 1.0 0.95814 0.45850 0.33800 1.0000 + O O56 1.0 0.91648 0.50017 0.33800 1.0000 + O O57 1.0 0.87481 0.54183 0.33800 1.0000 + O O58 1.0 0.83314 0.58350 0.33800 1.0000 + O O59 1.0 0.79148 0.62517 0.33800 1.0000 + O O60 1.0 0.74981 0.66683 0.33800 1.0000 + O O61 1.0 0.24981 0.25017 0.33800 1.0000 + O O62 1.0 0.20814 0.29183 0.33800 1.0000 + O O63 1.0 0.16648 0.33350 0.33800 1.0000 + O O64 1.0 0.12481 0.37517 0.33800 1.0000 + O O65 1.0 0.08314 0.41683 0.33800 1.0000 + O O66 1.0 0.04148 0.45850 0.33800 1.0000 + O O67 1.0 0.99981 0.50017 0.33800 1.0000 + O O68 1.0 0.95814 0.54183 0.33800 1.0000 + O O69 1.0 0.91648 0.58350 0.33800 1.0000 + O O70 1.0 0.87481 0.62517 0.33800 1.0000 + O O71 1.0 0.83314 0.66683 0.33800 1.0000 + O O72 1.0 0.79148 0.70850 0.33800 1.0000 + O O73 1.0 0.29148 0.29183 0.33800 1.0000 + O O74 1.0 0.24981 0.33350 0.33800 1.0000 + O O75 1.0 0.20814 0.37517 0.33800 1.0000 + O O76 1.0 0.16648 0.41683 0.33800 1.0000 + O O77 1.0 0.12481 0.45850 0.33800 1.0000 + O O78 1.0 0.08314 0.50017 0.33800 1.0000 + O O79 1.0 0.04148 0.54183 0.33800 1.0000 + O O80 1.0 0.99981 0.58350 0.33800 1.0000 + O O81 1.0 0.95814 0.62517 0.33800 1.0000 + O O82 1.0 0.91648 0.66683 0.33800 1.0000 + O O83 1.0 0.87481 0.70850 0.33800 1.0000 + O O84 1.0 0.83314 0.75017 0.33800 1.0000 + O O85 1.0 0.33314 0.33350 0.33800 1.0000 + O O86 1.0 0.29148 0.37517 0.33800 1.0000 + O O87 1.0 0.24981 0.41683 0.33800 1.0000 + O O88 1.0 0.20814 0.45850 0.33800 1.0000 + O O89 1.0 0.16648 0.50017 0.33800 1.0000 + O O90 1.0 0.12481 0.54183 0.33800 1.0000 + O O91 1.0 0.08314 0.58350 0.33800 1.0000 + O O92 1.0 0.04148 0.62517 0.33800 1.0000 + O O93 1.0 0.99981 0.66683 0.33800 1.0000 + O O94 1.0 0.95814 0.70850 0.33800 1.0000 + O O95 1.0 0.91648 0.75017 0.33800 1.0000 + O O96 1.0 0.87481 0.79183 0.33800 1.0000 + O O97 1.0 0.37481 0.37517 0.33800 1.0000 + O O98 1.0 0.33314 0.41683 0.33800 1.0000 + O O99 1.0 0.29148 0.45850 0.33800 1.0000 + O O100 1.0 0.24981 0.50017 0.33800 1.0000 + O O101 1.0 0.20814 0.54183 0.33800 1.0000 + O O102 1.0 0.16648 0.58350 0.33800 1.0000 + O O103 1.0 0.12481 0.62517 0.33800 1.0000 + O O104 1.0 0.08314 0.66683 0.33800 1.0000 + O O105 1.0 0.04148 0.70850 0.33800 1.0000 + O O106 1.0 0.99981 0.75017 0.33800 1.0000 + O O107 1.0 0.95814 0.79183 0.33800 1.0000 + O O108 1.0 0.91648 0.83350 0.33800 1.0000 + O O109 1.0 0.41648 0.41683 0.33800 1.0000 + O O110 1.0 0.37481 0.45850 0.33800 1.0000 + O O111 1.0 0.33314 0.50017 0.33800 1.0000 + O O112 1.0 0.29148 0.54183 0.33800 1.0000 + O O113 1.0 0.24981 0.58350 0.33800 1.0000 + O O114 1.0 0.20814 0.62517 0.33800 1.0000 + O O115 1.0 0.16648 0.66683 0.33800 1.0000 + O O116 1.0 0.12481 0.70850 0.33800 1.0000 + O O117 1.0 0.08314 0.75017 0.33800 1.0000 + O O118 1.0 0.04148 0.79183 0.33800 1.0000 + O O119 1.0 0.99981 0.83350 0.33800 1.0000 + O O120 1.0 0.95814 0.87517 0.33800 1.0000 + O O121 1.0 0.45814 0.45850 0.33800 1.0000 + O O122 1.0 0.41648 0.50017 0.33800 1.0000 + O O123 1.0 0.37481 0.54183 0.33800 1.0000 + O O124 1.0 0.33314 0.58350 0.33800 1.0000 + O O125 1.0 0.29148 0.62517 0.33800 1.0000 + O O126 1.0 0.24981 0.66683 0.33800 1.0000 + O O127 1.0 0.20814 0.70850 0.33800 1.0000 + O O128 1.0 0.16648 0.75017 0.33800 1.0000 + O O129 1.0 0.12481 0.79183 0.33800 1.0000 + O O130 1.0 0.08314 0.83350 0.33800 1.0000 + O O131 1.0 0.04148 0.87517 0.33800 1.0000 + O O132 1.0 0.99981 0.91683 0.33800 1.0000 + O O133 1.0 0.49981 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1.0000 + O O1106 1.0 0.31929 0.41682 0.66073 1.0000 + O O1107 1.0 0.27762 0.45849 0.66073 1.0000 + O O1108 1.0 0.23596 0.50015 0.66073 1.0000 + O O1109 1.0 0.19429 0.54182 0.66073 1.0000 + O O1110 1.0 0.15262 0.58349 0.66073 1.0000 + O O1111 1.0 0.11096 0.62515 0.66073 1.0000 + O O1112 1.0 0.06929 0.66682 0.66073 1.0000 + O O1113 1.0 0.02762 0.70849 0.66073 1.0000 + O O1114 1.0 0.98596 0.75015 0.66073 1.0000 + O O1115 1.0 0.94429 0.79182 0.66073 1.0000 + O O1116 1.0 0.90262 0.83349 0.66073 1.0000 + O O1117 1.0 0.40262 0.41682 0.66073 1.0000 + O O1118 1.0 0.36096 0.45849 0.66073 1.0000 + O O1119 1.0 0.31929 0.50015 0.66073 1.0000 + O O1120 1.0 0.27762 0.54182 0.66073 1.0000 + O O1121 1.0 0.23596 0.58349 0.66073 1.0000 + O O1122 1.0 0.19429 0.62515 0.66073 1.0000 + O O1123 1.0 0.15262 0.66682 0.66073 1.0000 + O O1124 1.0 0.11096 0.70849 0.66073 1.0000 + O O1125 1.0 0.06929 0.75015 0.66073 1.0000 + O O1126 1.0 0.02762 0.79182 0.66073 1.0000 + O O1127 1.0 0.98596 0.83349 0.66073 1.0000 + O O1128 1.0 0.94429 0.87515 0.66073 1.0000 + O O1129 1.0 0.44429 0.45849 0.66073 1.0000 + O O1130 1.0 0.40262 0.50015 0.66073 1.0000 + O O1131 1.0 0.36096 0.54182 0.66073 1.0000 + O O1132 1.0 0.31929 0.58349 0.66073 1.0000 + O O1133 1.0 0.27762 0.62515 0.66073 1.0000 + O O1134 1.0 0.23596 0.66682 0.66073 1.0000 + O O1135 1.0 0.19429 0.70849 0.66073 1.0000 + O O1136 1.0 0.15262 0.75015 0.66073 1.0000 + O O1137 1.0 0.11096 0.79182 0.66073 1.0000 + O O1138 1.0 0.06929 0.83349 0.66073 1.0000 + O O1139 1.0 0.02762 0.87515 0.66073 1.0000 + O O1140 1.0 0.98596 0.91682 0.66073 1.0000 + O O1141 1.0 0.48596 0.50015 0.66073 1.0000 + O O1142 1.0 0.44429 0.54182 0.66073 1.0000 + O O1143 1.0 0.40262 0.58349 0.66073 1.0000 + O O1144 1.0 0.36096 0.62515 0.66073 1.0000 + O O1145 1.0 0.31929 0.66682 0.66073 1.0000 + O O1146 1.0 0.27762 0.70849 0.66073 1.0000 + O O1147 1.0 0.23596 0.75015 0.66073 1.0000 + O O1148 1.0 0.19429 0.79182 0.66073 1.0000 + O O1149 1.0 0.15262 0.83349 0.66073 1.0000 + O O1150 1.0 0.11096 0.87515 0.66073 1.0000 + O O1151 1.0 0.06929 0.91682 0.66073 1.0000 + O O1152 1.0 0.02762 0.95849 0.66073 1.0000 + Mn Mn433 1.0 0.49288 0.56266 0.50020 1.0000 + Mn Mn434 1.0 0.45121 0.60433 0.50020 1.0000 + Mn Mn435 1.0 0.40954 0.64600 0.50020 1.0000 + Mn Mn436 1.0 0.36788 0.68766 0.50020 1.0000 + Mn Mn437 1.0 0.32621 0.72933 0.50020 1.0000 + Mn Mn438 1.0 0.28454 0.77100 0.50020 1.0000 + Mn Mn439 1.0 0.24288 0.81266 0.50020 1.0000 + Mn Mn440 1.0 0.20121 0.85433 0.50020 1.0000 + Mn Mn441 1.0 0.15954 0.89600 0.50020 1.0000 + Mn Mn442 1.0 0.11788 0.93766 0.50020 1.0000 + Mn Mn443 1.0 0.07621 0.97933 0.50020 1.0000 + Mn Mn444 1.0 0.03454 0.02100 0.50020 1.0000 + Mn Mn445 1.0 0.53454 0.60433 0.50020 1.0000 + Mn Mn446 1.0 0.49288 0.64600 0.50020 1.0000 + Mn Mn447 1.0 0.45121 0.68766 0.50020 1.0000 + Mn Mn448 1.0 0.40954 0.72933 0.50020 1.0000 + Mn Mn449 1.0 0.36788 0.77100 0.50020 1.0000 + Mn Mn450 1.0 0.32621 0.81266 0.50020 1.0000 + Mn Mn451 1.0 0.28454 0.85433 0.50020 1.0000 + Mn Mn452 1.0 0.24288 0.89600 0.50020 1.0000 + Mn Mn453 1.0 0.20121 0.93766 0.50020 1.0000 + Mn Mn454 1.0 0.15954 0.97933 0.50020 1.0000 + Mn Mn455 1.0 0.11788 0.02100 0.50020 1.0000 + Mn Mn456 1.0 0.07621 0.06266 0.50020 1.0000 + Mn Mn457 1.0 0.57621 0.64600 0.50020 1.0000 + Mn Mn458 1.0 0.53454 0.68766 0.50020 1.0000 + Mn Mn459 1.0 0.49288 0.72933 0.50020 1.0000 + Mn Mn460 1.0 0.45121 0.77100 0.50020 1.0000 + Mn Mn461 1.0 0.40954 0.81266 0.50020 1.0000 + Mn Mn462 1.0 0.36788 0.85433 0.50020 1.0000 + Mn Mn463 1.0 0.32621 0.89600 0.50020 1.0000 + Mn Mn464 1.0 0.28454 0.93766 0.50020 1.0000 + Mn Mn465 1.0 0.24288 0.97933 0.50020 1.0000 + Mn Mn466 1.0 0.20121 0.02100 0.50020 1.0000 + Mn Mn467 1.0 0.15954 0.06266 0.50020 1.0000 + Mn Mn468 1.0 0.11788 0.10433 0.50020 1.0000 + Mn Mn469 1.0 0.61788 0.68766 0.50020 1.0000 + Mn Mn470 1.0 0.57621 0.72933 0.50020 1.0000 + Mn Mn471 1.0 0.53454 0.77100 0.50020 1.0000 + Mn Mn472 1.0 0.49288 0.81266 0.50020 1.0000 + Mn Mn473 1.0 0.45121 0.85433 0.50020 1.0000 + Mn Mn474 1.0 0.40954 0.89600 0.50020 1.0000 + Mn Mn475 1.0 0.36788 0.93766 0.50020 1.0000 + Mn Mn476 1.0 0.32621 0.97933 0.50020 1.0000 + Mn Mn477 1.0 0.28454 0.02100 0.50020 1.0000 + Mn Mn478 1.0 0.24288 0.06266 0.50020 1.0000 + Mn Mn479 1.0 0.20121 0.10433 0.50020 1.0000 + Mn Mn480 1.0 0.15954 0.14600 0.50020 1.0000 + Mn Mn481 1.0 0.65954 0.72933 0.50020 1.0000 + Mn Mn482 1.0 0.61788 0.77100 0.50020 1.0000 + Mn Mn483 1.0 0.57621 0.81266 0.50020 1.0000 + Mn Mn484 1.0 0.53454 0.85433 0.50020 1.0000 + Mn Mn485 1.0 0.49288 0.89600 0.50020 1.0000 + Mn Mn486 1.0 0.45121 0.93766 0.50020 1.0000 + Mn Mn487 1.0 0.40954 0.97933 0.50020 1.0000 + Mn Mn488 1.0 0.36788 0.02100 0.50020 1.0000 + Mn Mn489 1.0 0.32621 0.06266 0.50020 1.0000 + Mn Mn490 1.0 0.28454 0.10433 0.50020 1.0000 + Mn Mn491 1.0 0.24288 0.14600 0.50020 1.0000 + Mn Mn492 1.0 0.20121 0.18766 0.50020 1.0000 + Mn Mn493 1.0 0.70121 0.77100 0.50020 1.0000 + Mn Mn494 1.0 0.65954 0.81266 0.50020 1.0000 + Mn Mn495 1.0 0.61788 0.85433 0.50020 1.0000 + Mn Mn496 1.0 0.57621 0.89600 0.50020 1.0000 + Mn Mn497 1.0 0.53454 0.93766 0.50020 1.0000 + Mn Mn498 1.0 0.49288 0.97933 0.50020 1.0000 + Mn Mn499 1.0 0.45121 0.02100 0.50020 1.0000 + Mn Mn500 1.0 0.40954 0.06266 0.50020 1.0000 + Mn Mn501 1.0 0.36788 0.10433 0.50020 1.0000 + Mn Mn502 1.0 0.32621 0.14600 0.50020 1.0000 + Mn Mn503 1.0 0.28454 0.18766 0.50020 1.0000 + Mn Mn504 1.0 0.24288 0.22933 0.50020 1.0000 + Mn Mn505 1.0 0.74288 0.81266 0.50020 1.0000 + Mn Mn506 1.0 0.70121 0.85433 0.50020 1.0000 + Mn Mn507 1.0 0.65954 0.89600 0.50020 1.0000 + Mn Mn508 1.0 0.61788 0.93766 0.50020 1.0000 + Mn Mn509 1.0 0.57621 0.97933 0.50020 1.0000 + Mn Mn510 1.0 0.53454 0.02100 0.50020 1.0000 + Mn Mn511 1.0 0.49288 0.06266 0.50020 1.0000 + Mn Mn512 1.0 0.45121 0.10433 0.50020 1.0000 + Mn Mn513 1.0 0.40954 0.14600 0.50020 1.0000 + Mn Mn514 1.0 0.36788 0.18766 0.50020 1.0000 + Mn Mn515 1.0 0.32621 0.22933 0.50020 1.0000 + Mn Mn516 1.0 0.28454 0.27100 0.50020 1.0000 + Mn Mn517 1.0 0.78454 0.85433 0.50020 1.0000 + Mn Mn518 1.0 0.74288 0.89600 0.50020 1.0000 + Mn Mn519 1.0 0.70121 0.93766 0.50020 1.0000 + Mn Mn520 1.0 0.65954 0.97933 0.50020 1.0000 + Mn Mn521 1.0 0.61788 0.02100 0.50020 1.0000 + Mn Mn522 1.0 0.57621 0.06266 0.50020 1.0000 + Mn Mn523 1.0 0.53454 0.10433 0.50020 1.0000 + Mn Mn524 1.0 0.49288 0.14600 0.50020 1.0000 + Mn Mn525 1.0 0.45121 0.18766 0.50020 1.0000 + Mn Mn526 1.0 0.40954 0.22933 0.50020 1.0000 + Mn Mn527 1.0 0.36788 0.27100 0.50020 1.0000 + Mn Mn528 1.0 0.32621 0.31266 0.50020 1.0000 + Mn Mn529 1.0 0.82621 0.89600 0.50020 1.0000 + Mn Mn530 1.0 0.78454 0.93766 0.50020 1.0000 + Mn Mn531 1.0 0.74288 0.97933 0.50020 1.0000 + Mn Mn532 1.0 0.70121 0.02100 0.50020 1.0000 + Mn Mn533 1.0 0.65954 0.06266 0.50020 1.0000 + Mn Mn534 1.0 0.61788 0.10433 0.50020 1.0000 + Mn Mn535 1.0 0.57621 0.14600 0.50020 1.0000 + Mn Mn536 1.0 0.53454 0.18766 0.50020 1.0000 + Mn Mn537 1.0 0.49288 0.22933 0.50020 1.0000 + Mn Mn538 1.0 0.45121 0.27100 0.50020 1.0000 + Mn Mn539 1.0 0.40954 0.31266 0.50020 1.0000 + Mn Mn540 1.0 0.36788 0.35433 0.50020 1.0000 + Mn Mn541 1.0 0.86788 0.93766 0.50020 1.0000 + Mn Mn542 1.0 0.82621 0.97933 0.50020 1.0000 + Mn Mn543 1.0 0.78454 0.02100 0.50020 1.0000 + Mn Mn544 1.0 0.74288 0.06266 0.50020 1.0000 + Mn Mn545 1.0 0.70121 0.10433 0.50020 1.0000 + Mn Mn546 1.0 0.65954 0.14600 0.50020 1.0000 + Mn Mn547 1.0 0.61788 0.18766 0.50020 1.0000 + Mn Mn548 1.0 0.57621 0.22933 0.50020 1.0000 + Mn Mn549 1.0 0.53454 0.27100 0.50020 1.0000 + Mn Mn550 1.0 0.49288 0.31266 0.50020 1.0000 + Mn Mn551 1.0 0.45121 0.35433 0.50020 1.0000 + Mn Mn552 1.0 0.40954 0.39600 0.50020 1.0000 + Mn Mn553 1.0 0.90954 0.97933 0.50020 1.0000 + Mn Mn554 1.0 0.86788 0.02100 0.50020 1.0000 + Mn Mn555 1.0 0.82621 0.06266 0.50020 1.0000 + Mn Mn556 1.0 0.78454 0.10433 0.50020 1.0000 + Mn Mn557 1.0 0.74288 0.14600 0.50020 1.0000 + Mn Mn558 1.0 0.70121 0.18766 0.50020 1.0000 + Mn Mn559 1.0 0.65954 0.22933 0.50020 1.0000 + Mn Mn560 1.0 0.61788 0.27100 0.50020 1.0000 + Mn Mn561 1.0 0.57621 0.31266 0.50020 1.0000 + Mn Mn562 1.0 0.53454 0.35433 0.50020 1.0000 + Mn Mn563 1.0 0.49288 0.39600 0.50020 1.0000 + Mn Mn564 1.0 0.45121 0.43766 0.50020 1.0000 + Mn Mn565 1.0 0.95121 0.02100 0.50020 1.0000 + Mn Mn566 1.0 0.90954 0.06266 0.50020 1.0000 + Mn Mn567 1.0 0.86788 0.10433 0.50020 1.0000 + Mn Mn568 1.0 0.82621 0.14600 0.50020 1.0000 + Mn Mn569 1.0 0.78454 0.18766 0.50020 1.0000 + Mn Mn570 1.0 0.74288 0.22933 0.50020 1.0000 + Mn Mn571 1.0 0.70121 0.27100 0.50020 1.0000 + Mn Mn572 1.0 0.65954 0.31266 0.50020 1.0000 + Mn Mn573 1.0 0.61788 0.35433 0.50020 1.0000 + Mn Mn574 1.0 0.57621 0.39600 0.50020 1.0000 + Mn Mn575 1.0 0.53454 0.43766 0.50020 1.0000 + Mn Mn576 1.0 0.49288 0.47933 0.50020 1.0000 + Mn Mn577 1.0 0.49287 0.52099 0.50009 1.0000 + Mn Mn578 1.0 0.45120 0.56266 0.50009 1.0000 + Mn Mn579 1.0 0.40954 0.60432 0.50009 1.0000 + Mn Mn580 1.0 0.36787 0.64599 0.50009 1.0000 + Mn Mn581 1.0 0.32620 0.68766 0.50009 1.0000 + Mn Mn582 1.0 0.28454 0.72932 0.50009 1.0000 + Mn Mn583 1.0 0.24287 0.77099 0.50009 1.0000 + Mn Mn584 1.0 0.20120 0.81266 0.50009 1.0000 + Mn Mn585 1.0 0.15954 0.85432 0.50009 1.0000 + Mn Mn586 1.0 0.11787 0.89599 0.50009 1.0000 + Mn Mn587 1.0 0.07620 0.93766 0.50009 1.0000 + Mn Mn588 1.0 0.03454 0.97932 0.50009 1.0000 + Mn Mn589 1.0 0.53454 0.56266 0.50009 1.0000 + Mn Mn590 1.0 0.49287 0.60432 0.50009 1.0000 + Mn Mn591 1.0 0.45120 0.64599 0.50009 1.0000 + Mn Mn592 1.0 0.40954 0.68766 0.50009 1.0000 + Mn Mn593 1.0 0.36787 0.72932 0.50009 1.0000 + Mn Mn594 1.0 0.32620 0.77099 0.50009 1.0000 + Mn Mn595 1.0 0.28454 0.81266 0.50009 1.0000 + Mn Mn596 1.0 0.24287 0.85432 0.50009 1.0000 + Mn Mn597 1.0 0.20120 0.89599 0.50009 1.0000 + Mn Mn598 1.0 0.15954 0.93766 0.50009 1.0000 + Mn Mn599 1.0 0.11787 0.97932 0.50009 1.0000 + Mn Mn600 1.0 0.07620 0.02099 0.50009 1.0000 + Mn Mn601 1.0 0.57620 0.60432 0.50009 1.0000 + Mn Mn602 1.0 0.53454 0.64599 0.50009 1.0000 + Mn Mn603 1.0 0.49287 0.68766 0.50009 1.0000 + Mn Mn604 1.0 0.45120 0.72932 0.50009 1.0000 + Mn Mn605 1.0 0.40954 0.77099 0.50009 1.0000 + Mn Mn606 1.0 0.36787 0.81266 0.50009 1.0000 + Mn Mn607 1.0 0.32620 0.85432 0.50009 1.0000 + Mn Mn608 1.0 0.28454 0.89599 0.50009 1.0000 + Mn Mn609 1.0 0.24287 0.93766 0.50009 1.0000 + Mn Mn610 1.0 0.20120 0.97932 0.50009 1.0000 + Mn Mn611 1.0 0.15954 0.02099 0.50009 1.0000 + Mn Mn612 1.0 0.11787 0.06266 0.50009 1.0000 + Mn Mn613 1.0 0.61787 0.64599 0.50009 1.0000 + Mn Mn614 1.0 0.57620 0.68766 0.50009 1.0000 + Mn Mn615 1.0 0.53454 0.72932 0.50009 1.0000 + Mn Mn616 1.0 0.49287 0.77099 0.50009 1.0000 + Mn Mn617 1.0 0.45120 0.81266 0.50009 1.0000 + Mn Mn618 1.0 0.40954 0.85432 0.50009 1.0000 + Mn Mn619 1.0 0.36787 0.89599 0.50009 1.0000 + Mn Mn620 1.0 0.32620 0.93766 0.50009 1.0000 + Mn Mn621 1.0 0.28454 0.97932 0.50009 1.0000 + Mn Mn622 1.0 0.24287 0.02099 0.50009 1.0000 + Mn Mn623 1.0 0.20120 0.06266 0.50009 1.0000 + Mn Mn624 1.0 0.15954 0.10432 0.50009 1.0000 + Mn Mn625 1.0 0.65954 0.68766 0.50009 1.0000 + Mn Mn626 1.0 0.61787 0.72932 0.50009 1.0000 + Mn Mn627 1.0 0.57620 0.77099 0.50009 1.0000 + Mn Mn628 1.0 0.53454 0.81266 0.50009 1.0000 + Mn Mn629 1.0 0.49287 0.85432 0.50009 1.0000 + Mn Mn630 1.0 0.45120 0.89599 0.50009 1.0000 + Mn Mn631 1.0 0.40954 0.93766 0.50009 1.0000 + Mn Mn632 1.0 0.36787 0.97932 0.50009 1.0000 + Mn Mn633 1.0 0.32620 0.02099 0.50009 1.0000 + Mn Mn634 1.0 0.28454 0.06266 0.50009 1.0000 + Mn Mn635 1.0 0.24287 0.10432 0.50009 1.0000 + Mn Mn636 1.0 0.20120 0.14599 0.50009 1.0000 + Mn Mn637 1.0 0.70120 0.72932 0.50009 1.0000 + Mn Mn638 1.0 0.65954 0.77099 0.50009 1.0000 + Mn Mn639 1.0 0.61787 0.81266 0.50009 1.0000 + Mn Mn640 1.0 0.57620 0.85432 0.50009 1.0000 + Mn Mn641 1.0 0.53454 0.89599 0.50009 1.0000 + Mn Mn642 1.0 0.49287 0.93766 0.50009 1.0000 + Mn Mn643 1.0 0.45120 0.97932 0.50009 1.0000 + Mn Mn644 1.0 0.40954 0.02099 0.50009 1.0000 + Mn Mn645 1.0 0.36787 0.06266 0.50009 1.0000 + Mn Mn646 1.0 0.32620 0.10432 0.50009 1.0000 + Mn Mn647 1.0 0.28454 0.14599 0.50009 1.0000 + Mn Mn648 1.0 0.24287 0.18766 0.50009 1.0000 + Mn Mn649 1.0 0.74287 0.77099 0.50009 1.0000 + Mn Mn650 1.0 0.70120 0.81266 0.50009 1.0000 + Mn Mn651 1.0 0.65954 0.85432 0.50009 1.0000 + Mn Mn652 1.0 0.61787 0.89599 0.50009 1.0000 + Mn Mn653 1.0 0.57620 0.93766 0.50009 1.0000 + Mn Mn654 1.0 0.53454 0.97932 0.50009 1.0000 + Mn Mn655 1.0 0.49287 0.02099 0.50009 1.0000 + Mn Mn656 1.0 0.45120 0.06266 0.50009 1.0000 + Mn Mn657 1.0 0.40954 0.10432 0.50009 1.0000 + Mn Mn658 1.0 0.36787 0.14599 0.50009 1.0000 + Mn Mn659 1.0 0.32620 0.18766 0.50009 1.0000 + Mn Mn660 1.0 0.28454 0.22932 0.50009 1.0000 + Mn Mn661 1.0 0.78454 0.81266 0.50009 1.0000 + Mn Mn662 1.0 0.74287 0.85432 0.50009 1.0000 + Mn Mn663 1.0 0.70120 0.89599 0.50009 1.0000 + Mn Mn664 1.0 0.65954 0.93766 0.50009 1.0000 + Mn Mn665 1.0 0.61787 0.97932 0.50009 1.0000 + Mn Mn666 1.0 0.57620 0.02099 0.50009 1.0000 + Mn Mn667 1.0 0.53454 0.06266 0.50009 1.0000 + Mn Mn668 1.0 0.49287 0.10432 0.50009 1.0000 + Mn Mn669 1.0 0.45120 0.14599 0.50009 1.0000 + Mn Mn670 1.0 0.40954 0.18766 0.50009 1.0000 + Mn Mn671 1.0 0.36787 0.22932 0.50009 1.0000 + Mn Mn672 1.0 0.32620 0.27099 0.50009 1.0000 + Mn Mn673 1.0 0.82620 0.85432 0.50009 1.0000 + Mn Mn674 1.0 0.78454 0.89599 0.50009 1.0000 + Mn Mn675 1.0 0.74287 0.93766 0.50009 1.0000 + Mn Mn676 1.0 0.70120 0.97932 0.50009 1.0000 + Mn Mn677 1.0 0.65954 0.02099 0.50009 1.0000 + Mn Mn678 1.0 0.61787 0.06266 0.50009 1.0000 + Mn Mn679 1.0 0.57620 0.10432 0.50009 1.0000 + Mn Mn680 1.0 0.53454 0.14599 0.50009 1.0000 + Mn Mn681 1.0 0.49287 0.18766 0.50009 1.0000 + Mn Mn682 1.0 0.45120 0.22932 0.50009 1.0000 + Mn Mn683 1.0 0.40954 0.27099 0.50009 1.0000 + Mn Mn684 1.0 0.36787 0.31266 0.50009 1.0000 + Mn Mn685 1.0 0.86787 0.89599 0.50009 1.0000 + Mn Mn686 1.0 0.82620 0.93766 0.50009 1.0000 + Mn Mn687 1.0 0.78454 0.97932 0.50009 1.0000 + Mn Mn688 1.0 0.74287 0.02099 0.50009 1.0000 + Mn Mn689 1.0 0.70120 0.06266 0.50009 1.0000 + Mn Mn690 1.0 0.65954 0.10432 0.50009 1.0000 + Mn Mn691 1.0 0.61787 0.14599 0.50009 1.0000 + Mn Mn692 1.0 0.57620 0.18766 0.50009 1.0000 + Mn Mn693 1.0 0.53454 0.22932 0.50009 1.0000 + Mn Mn694 1.0 0.49287 0.27099 0.50009 1.0000 + Mn Mn695 1.0 0.45120 0.31266 0.50009 1.0000 + Mn Mn696 1.0 0.40954 0.35432 0.50009 1.0000 + Mn Mn697 1.0 0.90954 0.93766 0.50009 1.0000 + Mn Mn698 1.0 0.86787 0.97932 0.50009 1.0000 + Mn Mn699 1.0 0.82620 0.02099 0.50009 1.0000 + Mn Mn700 1.0 0.78454 0.06266 0.50009 1.0000 + Mn Mn701 1.0 0.74287 0.10432 0.50009 1.0000 + Mn Mn702 1.0 0.70120 0.14599 0.50009 1.0000 + Mn Mn703 1.0 0.65954 0.18766 0.50009 1.0000 + Mn Mn704 1.0 0.61787 0.22932 0.50009 1.0000 + Mn Mn705 1.0 0.57620 0.27099 0.50009 1.0000 + Mn Mn706 1.0 0.53454 0.31266 0.50009 1.0000 + Mn Mn707 1.0 0.49287 0.35432 0.50009 1.0000 + Mn Mn708 1.0 0.45120 0.39599 0.50009 1.0000 + Mn Mn709 1.0 0.95120 0.97932 0.50009 1.0000 + Mn Mn710 1.0 0.90954 0.02099 0.50009 1.0000 + Mn Mn711 1.0 0.86787 0.06266 0.50009 1.0000 + Mn Mn712 1.0 0.82620 0.10432 0.50009 1.0000 + Mn Mn713 1.0 0.78454 0.14599 0.50009 1.0000 + Mn Mn714 1.0 0.74287 0.18766 0.50009 1.0000 + Mn Mn715 1.0 0.70120 0.22932 0.50009 1.0000 + Mn Mn716 1.0 0.65954 0.27099 0.50009 1.0000 + Mn Mn717 1.0 0.61787 0.31266 0.50009 1.0000 + Mn Mn718 1.0 0.57620 0.35432 0.50009 1.0000 + Mn Mn719 1.0 0.53454 0.39599 0.50009 1.0000 + Mn Mn720 1.0 0.49287 0.43766 0.50009 1.0000 + Mn Mn721 1.0 0.47204 0.54183 0.49980 1.0000 + Mn Mn722 1.0 0.43037 0.58349 0.49980 1.0000 + Mn Mn723 1.0 0.38871 0.62516 0.49980 1.0000 + Mn Mn724 1.0 0.34704 0.66683 0.49980 1.0000 + Mn Mn725 1.0 0.30537 0.70849 0.49980 1.0000 + Mn Mn726 1.0 0.26371 0.75016 0.49980 1.0000 + Mn Mn727 1.0 0.22204 0.79183 0.49980 1.0000 + Mn Mn728 1.0 0.18037 0.83349 0.49980 1.0000 + Mn Mn729 1.0 0.13871 0.87516 0.49980 1.0000 + Mn Mn730 1.0 0.09704 0.91683 0.49980 1.0000 + Mn Mn731 1.0 0.05537 0.95849 0.49980 1.0000 + Mn Mn732 1.0 0.01371 0.00016 0.49980 1.0000 + Mn Mn733 1.0 0.51371 0.58349 0.49980 1.0000 + Mn Mn734 1.0 0.47204 0.62516 0.49980 1.0000 + Mn Mn735 1.0 0.43037 0.66683 0.49980 1.0000 + Mn Mn736 1.0 0.38871 0.70849 0.49980 1.0000 + Mn Mn737 1.0 0.34704 0.75016 0.49980 1.0000 + Mn Mn738 1.0 0.30537 0.79183 0.49980 1.0000 + Mn Mn739 1.0 0.26371 0.83349 0.49980 1.0000 + Mn Mn740 1.0 0.22204 0.87516 0.49980 1.0000 + Mn Mn741 1.0 0.18037 0.91683 0.49980 1.0000 + Mn Mn742 1.0 0.13871 0.95849 0.49980 1.0000 + Mn Mn743 1.0 0.09704 0.00016 0.49980 1.0000 + Mn Mn744 1.0 0.05537 0.04183 0.49980 1.0000 + Mn Mn745 1.0 0.55537 0.62516 0.49980 1.0000 + Mn Mn746 1.0 0.51371 0.66683 0.49980 1.0000 + Mn Mn747 1.0 0.47204 0.70849 0.49980 1.0000 + Mn Mn748 1.0 0.43037 0.75016 0.49980 1.0000 + Mn Mn749 1.0 0.38871 0.79183 0.49980 1.0000 + Mn Mn750 1.0 0.34704 0.83349 0.49980 1.0000 + Mn Mn751 1.0 0.30537 0.87516 0.49980 1.0000 + Mn Mn752 1.0 0.26371 0.91683 0.49980 1.0000 + Mn Mn753 1.0 0.22204 0.95849 0.49980 1.0000 + Mn Mn754 1.0 0.18037 0.00016 0.49980 1.0000 + Mn Mn755 1.0 0.13871 0.04183 0.49980 1.0000 + Mn Mn756 1.0 0.09704 0.08349 0.49980 1.0000 + Mn Mn757 1.0 0.59704 0.66683 0.49980 1.0000 + Mn Mn758 1.0 0.55537 0.70849 0.49980 1.0000 + Mn Mn759 1.0 0.51371 0.75016 0.49980 1.0000 + Mn Mn760 1.0 0.47204 0.79183 0.49980 1.0000 + Mn Mn761 1.0 0.43037 0.83349 0.49980 1.0000 + Mn Mn762 1.0 0.38871 0.87516 0.49980 1.0000 + Mn Mn763 1.0 0.34704 0.91683 0.49980 1.0000 + Mn Mn764 1.0 0.30537 0.95849 0.49980 1.0000 + Mn Mn765 1.0 0.26371 0.00016 0.49980 1.0000 + Mn Mn766 1.0 0.22204 0.04183 0.49980 1.0000 + Mn Mn767 1.0 0.18037 0.08349 0.49980 1.0000 + Mn Mn768 1.0 0.13871 0.12516 0.49980 1.0000 + Mn Mn769 1.0 0.63871 0.70849 0.49980 1.0000 + Mn Mn770 1.0 0.59704 0.75016 0.49980 1.0000 + Mn Mn771 1.0 0.55537 0.79183 0.49980 1.0000 + Mn Mn772 1.0 0.51371 0.83349 0.49980 1.0000 + Mn Mn773 1.0 0.47204 0.87516 0.49980 1.0000 + Mn Mn774 1.0 0.43037 0.91683 0.49980 1.0000 + Mn Mn775 1.0 0.38871 0.95849 0.49980 1.0000 + Mn Mn776 1.0 0.34704 0.00016 0.49980 1.0000 + Mn Mn777 1.0 0.30537 0.04183 0.49980 1.0000 + Mn Mn778 1.0 0.26371 0.08349 0.49980 1.0000 + Mn Mn779 1.0 0.22204 0.12516 0.49980 1.0000 + Mn Mn780 1.0 0.18037 0.16683 0.49980 1.0000 + Mn Mn781 1.0 0.68037 0.75016 0.49980 1.0000 + Mn Mn782 1.0 0.63871 0.79183 0.49980 1.0000 + Mn Mn783 1.0 0.59704 0.83349 0.49980 1.0000 + Mn Mn784 1.0 0.55537 0.87516 0.49980 1.0000 + Mn Mn785 1.0 0.51371 0.91683 0.49980 1.0000 + Mn Mn786 1.0 0.47204 0.95849 0.49980 1.0000 + Mn Mn787 1.0 0.43037 0.00016 0.49980 1.0000 + Mn Mn788 1.0 0.38871 0.04183 0.49980 1.0000 + Mn Mn789 1.0 0.34704 0.08349 0.49980 1.0000 + Mn Mn790 1.0 0.30537 0.12516 0.49980 1.0000 + Mn Mn791 1.0 0.26371 0.16683 0.49980 1.0000 + Mn Mn792 1.0 0.22204 0.20849 0.49980 1.0000 + Mn Mn793 1.0 0.72204 0.79183 0.49980 1.0000 + Mn Mn794 1.0 0.68037 0.83349 0.49980 1.0000 + Mn Mn795 1.0 0.63871 0.87516 0.49980 1.0000 + Mn Mn796 1.0 0.59704 0.91683 0.49980 1.0000 + Mn Mn797 1.0 0.55537 0.95849 0.49980 1.0000 + Mn Mn798 1.0 0.51371 0.00016 0.49980 1.0000 + Mn Mn799 1.0 0.47204 0.04183 0.49980 1.0000 + Mn Mn800 1.0 0.43037 0.08349 0.49980 1.0000 + Mn Mn801 1.0 0.38871 0.12516 0.49980 1.0000 + Mn Mn802 1.0 0.34704 0.16683 0.49980 1.0000 + Mn Mn803 1.0 0.30537 0.20849 0.49980 1.0000 + Mn Mn804 1.0 0.26371 0.25016 0.49980 1.0000 + Mn Mn805 1.0 0.76371 0.83349 0.49980 1.0000 + Mn Mn806 1.0 0.72204 0.87516 0.49980 1.0000 + Mn Mn807 1.0 0.68037 0.91683 0.49980 1.0000 + Mn Mn808 1.0 0.63871 0.95849 0.49980 1.0000 + Mn Mn809 1.0 0.59704 0.00016 0.49980 1.0000 + Mn Mn810 1.0 0.55537 0.04183 0.49980 1.0000 + Mn Mn811 1.0 0.51371 0.08349 0.49980 1.0000 + Mn Mn812 1.0 0.47204 0.12516 0.49980 1.0000 + Mn Mn813 1.0 0.43037 0.16683 0.49980 1.0000 + Mn Mn814 1.0 0.38871 0.20849 0.49980 1.0000 + Mn Mn815 1.0 0.34704 0.25016 0.49980 1.0000 + Mn Mn816 1.0 0.30537 0.29183 0.49980 1.0000 + Mn Mn817 1.0 0.80537 0.87516 0.49980 1.0000 + Mn Mn818 1.0 0.76371 0.91683 0.49980 1.0000 + Mn Mn819 1.0 0.72204 0.95849 0.49980 1.0000 + Mn Mn820 1.0 0.68037 0.00016 0.49980 1.0000 + Mn Mn821 1.0 0.63871 0.04183 0.49980 1.0000 + Mn Mn822 1.0 0.59704 0.08349 0.49980 1.0000 + Mn Mn823 1.0 0.55537 0.12516 0.49980 1.0000 + Mn Mn824 1.0 0.51371 0.16683 0.49980 1.0000 + Mn Mn825 1.0 0.47204 0.20849 0.49980 1.0000 + Mn Mn826 1.0 0.43037 0.25016 0.49980 1.0000 + Mn Mn827 1.0 0.38871 0.29183 0.49980 1.0000 + Mn Mn828 1.0 0.34704 0.33349 0.49980 1.0000 + Mn Mn829 1.0 0.84704 0.91683 0.49980 1.0000 + Mn Mn830 1.0 0.80537 0.95849 0.49980 1.0000 + Mn Mn831 1.0 0.76371 0.00016 0.49980 1.0000 + Mn Mn832 1.0 0.72204 0.04183 0.49980 1.0000 + Mn Mn833 1.0 0.68037 0.08349 0.49980 1.0000 + Mn Mn834 1.0 0.63871 0.12516 0.49980 1.0000 + Mn Mn835 1.0 0.59704 0.16683 0.49980 1.0000 + Mn Mn836 1.0 0.55537 0.20849 0.49980 1.0000 + Mn Mn837 1.0 0.51371 0.25016 0.49980 1.0000 + Mn Mn838 1.0 0.47204 0.29183 0.49980 1.0000 + Mn Mn839 1.0 0.43037 0.33349 0.49980 1.0000 + Mn Mn840 1.0 0.38871 0.37516 0.49980 1.0000 + Mn Mn841 1.0 0.88871 0.95849 0.49980 1.0000 + Mn Mn842 1.0 0.84704 0.00016 0.49980 1.0000 + Mn Mn843 1.0 0.80537 0.04183 0.49980 1.0000 + Mn Mn844 1.0 0.76371 0.08349 0.49980 1.0000 + Mn Mn845 1.0 0.72204 0.12516 0.49980 1.0000 + Mn Mn846 1.0 0.68037 0.16683 0.49980 1.0000 + Mn Mn847 1.0 0.63871 0.20849 0.49980 1.0000 + Mn Mn848 1.0 0.59704 0.25016 0.49980 1.0000 + Mn Mn849 1.0 0.55537 0.29183 0.49980 1.0000 + Mn Mn850 1.0 0.51371 0.33349 0.49980 1.0000 + Mn Mn851 1.0 0.47204 0.37516 0.49980 1.0000 + Mn Mn852 1.0 0.43037 0.41683 0.49980 1.0000 + Mn Mn853 1.0 0.93037 0.00016 0.49980 1.0000 + Mn Mn854 1.0 0.88871 0.04183 0.49980 1.0000 + Mn Mn855 1.0 0.84704 0.08349 0.49980 1.0000 + Mn Mn856 1.0 0.80537 0.12516 0.49980 1.0000 + Mn Mn857 1.0 0.76371 0.16683 0.49980 1.0000 + Mn Mn858 1.0 0.72204 0.20849 0.49980 1.0000 + Mn Mn859 1.0 0.68037 0.25016 0.49980 1.0000 + Mn Mn860 1.0 0.63871 0.29183 0.49980 1.0000 + Mn Mn861 1.0 0.59704 0.33349 0.49980 1.0000 + Mn Mn862 1.0 0.55537 0.37516 0.49980 1.0000 + Mn Mn863 1.0 0.51371 0.41683 0.49980 1.0000 + Mn Mn864 1.0 0.47204 0.45849 0.49980 1.0000 + Cr Cr145 1.0 0.51372 0.54183 0.49851 1.0000 + Cr Cr146 1.0 0.47205 0.58350 0.49851 1.0000 + Cr Cr147 1.0 0.43038 0.62516 0.49851 1.0000 + Cr Cr148 1.0 0.38872 0.66683 0.49851 1.0000 + Cr Cr149 1.0 0.34705 0.70850 0.49851 1.0000 + Cr Cr150 1.0 0.30538 0.75016 0.49851 1.0000 + Cr Cr151 1.0 0.26372 0.79183 0.49851 1.0000 + Cr Cr152 1.0 0.22205 0.83350 0.49851 1.0000 + Cr Cr153 1.0 0.18038 0.87516 0.49851 1.0000 + Cr Cr154 1.0 0.13872 0.91683 0.49851 1.0000 + Cr Cr155 1.0 0.09705 0.95850 0.49851 1.0000 + Cr Cr156 1.0 0.05538 0.00016 0.49851 1.0000 + Cr Cr157 1.0 0.55538 0.58350 0.49851 1.0000 + Cr Cr158 1.0 0.51372 0.62516 0.49851 1.0000 + Cr Cr159 1.0 0.47205 0.66683 0.49851 1.0000 + Cr Cr160 1.0 0.43038 0.70850 0.49851 1.0000 + Cr Cr161 1.0 0.38872 0.75016 0.49851 1.0000 + Cr Cr162 1.0 0.34705 0.79183 0.49851 1.0000 + Cr Cr163 1.0 0.30538 0.83350 0.49851 1.0000 + Cr Cr164 1.0 0.26372 0.87516 0.49851 1.0000 + Cr Cr165 1.0 0.22205 0.91683 0.49851 1.0000 + Cr Cr166 1.0 0.18038 0.95850 0.49851 1.0000 + Cr Cr167 1.0 0.13872 0.00016 0.49851 1.0000 + Cr Cr168 1.0 0.09705 0.04183 0.49851 1.0000 + Cr Cr169 1.0 0.59705 0.62516 0.49851 1.0000 + Cr Cr170 1.0 0.55538 0.66683 0.49851 1.0000 + Cr Cr171 1.0 0.51372 0.70850 0.49851 1.0000 + Cr Cr172 1.0 0.47205 0.75016 0.49851 1.0000 + Cr Cr173 1.0 0.43038 0.79183 0.49851 1.0000 + Cr Cr174 1.0 0.38872 0.83350 0.49851 1.0000 + Cr Cr175 1.0 0.34705 0.87516 0.49851 1.0000 + Cr Cr176 1.0 0.30538 0.91683 0.49851 1.0000 + Cr Cr177 1.0 0.26372 0.95850 0.49851 1.0000 + Cr Cr178 1.0 0.22205 0.00016 0.49851 1.0000 + Cr Cr179 1.0 0.18038 0.04183 0.49851 1.0000 + Cr Cr180 1.0 0.13872 0.08350 0.49851 1.0000 + Cr Cr181 1.0 0.63872 0.66683 0.49851 1.0000 + Cr Cr182 1.0 0.59705 0.70850 0.49851 1.0000 + Cr Cr183 1.0 0.55538 0.75016 0.49851 1.0000 + Cr Cr184 1.0 0.51372 0.79183 0.49851 1.0000 + Cr Cr185 1.0 0.47205 0.83350 0.49851 1.0000 + Cr Cr186 1.0 0.43038 0.87516 0.49851 1.0000 + Cr Cr187 1.0 0.38872 0.91683 0.49851 1.0000 + Cr Cr188 1.0 0.34705 0.95850 0.49851 1.0000 + Cr Cr189 1.0 0.30538 0.00016 0.49851 1.0000 + Cr Cr190 1.0 0.26372 0.04183 0.49851 1.0000 + Cr Cr191 1.0 0.22205 0.08350 0.49851 1.0000 + Cr Cr192 1.0 0.18038 0.12516 0.49851 1.0000 + Cr Cr193 1.0 0.68038 0.70850 0.49851 1.0000 + Cr Cr194 1.0 0.63872 0.75016 0.49851 1.0000 + Cr Cr195 1.0 0.59705 0.79183 0.49851 1.0000 + Cr Cr196 1.0 0.55538 0.83350 0.49851 1.0000 + Cr Cr197 1.0 0.51372 0.87516 0.49851 1.0000 + Cr Cr198 1.0 0.47205 0.91683 0.49851 1.0000 + Cr Cr199 1.0 0.43038 0.95850 0.49851 1.0000 + Cr Cr200 1.0 0.38872 0.00016 0.49851 1.0000 + Cr Cr201 1.0 0.34705 0.04183 0.49851 1.0000 + Cr Cr202 1.0 0.30538 0.08350 0.49851 1.0000 + Cr Cr203 1.0 0.26372 0.12516 0.49851 1.0000 + Cr Cr204 1.0 0.22205 0.16683 0.49851 1.0000 + Cr Cr205 1.0 0.72205 0.75016 0.49851 1.0000 + Cr Cr206 1.0 0.68038 0.79183 0.49851 1.0000 + Cr Cr207 1.0 0.63872 0.83350 0.49851 1.0000 + Cr Cr208 1.0 0.59705 0.87516 0.49851 1.0000 + Cr Cr209 1.0 0.55538 0.91683 0.49851 1.0000 + Cr Cr210 1.0 0.51372 0.95850 0.49851 1.0000 + Cr Cr211 1.0 0.47205 0.00016 0.49851 1.0000 + Cr Cr212 1.0 0.43038 0.04183 0.49851 1.0000 + Cr Cr213 1.0 0.38872 0.08350 0.49851 1.0000 + Cr Cr214 1.0 0.34705 0.12516 0.49851 1.0000 + Cr Cr215 1.0 0.30538 0.16683 0.49851 1.0000 + Cr Cr216 1.0 0.26372 0.20850 0.49851 1.0000 + Cr Cr217 1.0 0.76372 0.79183 0.49851 1.0000 + Cr Cr218 1.0 0.72205 0.83350 0.49851 1.0000 + Cr Cr219 1.0 0.68038 0.87516 0.49851 1.0000 + Cr Cr220 1.0 0.63872 0.91683 0.49851 1.0000 + Cr Cr221 1.0 0.59705 0.95850 0.49851 1.0000 + Cr Cr222 1.0 0.55538 0.00016 0.49851 1.0000 + Cr Cr223 1.0 0.51372 0.04183 0.49851 1.0000 + Cr Cr224 1.0 0.47205 0.08350 0.49851 1.0000 + Cr Cr225 1.0 0.43038 0.12516 0.49851 1.0000 + Cr Cr226 1.0 0.38872 0.16683 0.49851 1.0000 + Cr Cr227 1.0 0.34705 0.20850 0.49851 1.0000 + Cr Cr228 1.0 0.30538 0.25016 0.49851 1.0000 + Cr Cr229 1.0 0.80538 0.83350 0.49851 1.0000 + Cr Cr230 1.0 0.76372 0.87516 0.49851 1.0000 + Cr Cr231 1.0 0.72205 0.91683 0.49851 1.0000 + Cr Cr232 1.0 0.68038 0.95850 0.49851 1.0000 + Cr Cr233 1.0 0.63872 0.00016 0.49851 1.0000 + Cr Cr234 1.0 0.59705 0.04183 0.49851 1.0000 + Cr Cr235 1.0 0.55538 0.08350 0.49851 1.0000 + Cr Cr236 1.0 0.51372 0.12516 0.49851 1.0000 + Cr Cr237 1.0 0.47205 0.16683 0.49851 1.0000 + Cr Cr238 1.0 0.43038 0.20850 0.49851 1.0000 + Cr Cr239 1.0 0.38872 0.25016 0.49851 1.0000 + Cr Cr240 1.0 0.34705 0.29183 0.49851 1.0000 + Cr Cr241 1.0 0.84705 0.87516 0.49851 1.0000 + Cr Cr242 1.0 0.80538 0.91683 0.49851 1.0000 + Cr Cr243 1.0 0.76372 0.95850 0.49851 1.0000 + Cr Cr244 1.0 0.72205 0.00016 0.49851 1.0000 + Cr Cr245 1.0 0.68038 0.04183 0.49851 1.0000 + Cr Cr246 1.0 0.63872 0.08350 0.49851 1.0000 + Cr Cr247 1.0 0.59705 0.12516 0.49851 1.0000 + Cr Cr248 1.0 0.55538 0.16683 0.49851 1.0000 + Cr Cr249 1.0 0.51372 0.20850 0.49851 1.0000 + Cr Cr250 1.0 0.47205 0.25016 0.49851 1.0000 + Cr Cr251 1.0 0.43038 0.29183 0.49851 1.0000 + Cr Cr252 1.0 0.38872 0.33350 0.49851 1.0000 + Cr Cr253 1.0 0.88872 0.91683 0.49851 1.0000 + Cr Cr254 1.0 0.84705 0.95850 0.49851 1.0000 + Cr Cr255 1.0 0.80538 0.00016 0.49851 1.0000 + Cr Cr256 1.0 0.76372 0.04183 0.49851 1.0000 + Cr Cr257 1.0 0.72205 0.08350 0.49851 1.0000 + Cr Cr258 1.0 0.68038 0.12516 0.49851 1.0000 + Cr Cr259 1.0 0.63872 0.16683 0.49851 1.0000 + Cr Cr260 1.0 0.59705 0.20850 0.49851 1.0000 + Cr Cr261 1.0 0.55538 0.25016 0.49851 1.0000 + Cr Cr262 1.0 0.51372 0.29183 0.49851 1.0000 + Cr Cr263 1.0 0.47205 0.33350 0.49851 1.0000 + Cr Cr264 1.0 0.43038 0.37516 0.49851 1.0000 + Cr Cr265 1.0 0.93038 0.95850 0.49851 1.0000 + Cr Cr266 1.0 0.88872 0.00016 0.49851 1.0000 + Cr Cr267 1.0 0.84705 0.04183 0.49851 1.0000 + Cr Cr268 1.0 0.80538 0.08350 0.49851 1.0000 + Cr Cr269 1.0 0.76372 0.12516 0.49851 1.0000 + Cr Cr270 1.0 0.72205 0.16683 0.49851 1.0000 + Cr Cr271 1.0 0.68038 0.20850 0.49851 1.0000 + Cr Cr272 1.0 0.63872 0.25016 0.49851 1.0000 + Cr Cr273 1.0 0.59705 0.29183 0.49851 1.0000 + Cr Cr274 1.0 0.55538 0.33350 0.49851 1.0000 + Cr Cr275 1.0 0.51372 0.37516 0.49851 1.0000 + Cr Cr276 1.0 0.47205 0.41683 0.49851 1.0000 + Cr Cr277 1.0 0.97205 0.00016 0.49851 1.0000 + Cr Cr278 1.0 0.93038 0.04183 0.49851 1.0000 + Cr Cr279 1.0 0.88872 0.08350 0.49851 1.0000 + Cr Cr280 1.0 0.84705 0.12516 0.49851 1.0000 + Cr Cr281 1.0 0.80538 0.16683 0.49851 1.0000 + Cr Cr282 1.0 0.76372 0.20850 0.49851 1.0000 + Cr Cr283 1.0 0.72205 0.25016 0.49851 1.0000 + Cr Cr284 1.0 0.68038 0.29183 0.49851 1.0000 + Cr Cr285 1.0 0.63872 0.33350 0.49851 1.0000 + Cr Cr286 1.0 0.59705 0.37516 0.49851 1.0000 + Cr Cr287 1.0 0.55538 0.41683 0.49851 1.0000 + Cr Cr288 1.0 0.51372 0.45850 0.49851 1.0000 + O O1153 1.0 0.54148 0.54183 0.33800 1.0000 + O O1154 1.0 0.49981 0.58350 0.33800 1.0000 + O O1155 1.0 0.45814 0.62517 0.33800 1.0000 + O O1156 1.0 0.41648 0.66683 0.33800 1.0000 + O O1157 1.0 0.37481 0.70850 0.33800 1.0000 + O O1158 1.0 0.33314 0.75017 0.33800 1.0000 + O O1159 1.0 0.29148 0.79183 0.33800 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O1182 1.0 0.41648 0.83350 0.33800 1.0000 + O O1183 1.0 0.37481 0.87517 0.33800 1.0000 + O O1184 1.0 0.33314 0.91683 0.33800 1.0000 + O O1185 1.0 0.29148 0.95850 0.33800 1.0000 + O O1186 1.0 0.24981 0.00017 0.33800 1.0000 + O O1187 1.0 0.20814 0.04183 0.33800 1.0000 + O O1188 1.0 0.16648 0.08350 0.33800 1.0000 + O O1189 1.0 0.66648 0.66683 0.33800 1.0000 + O O1190 1.0 0.62481 0.70850 0.33800 1.0000 + O O1191 1.0 0.58314 0.75017 0.33800 1.0000 + O O1192 1.0 0.54148 0.79183 0.33800 1.0000 + O O1193 1.0 0.49981 0.83350 0.33800 1.0000 + O O1194 1.0 0.45814 0.87517 0.33800 1.0000 + O O1195 1.0 0.41648 0.91683 0.33800 1.0000 + O O1196 1.0 0.37481 0.95850 0.33800 1.0000 + O O1197 1.0 0.33314 0.00017 0.33800 1.0000 + O O1198 1.0 0.29148 0.04183 0.33800 1.0000 + O O1199 1.0 0.24981 0.08350 0.33800 1.0000 + O O1200 1.0 0.20814 0.12517 0.33800 1.0000 + O O1201 1.0 0.70814 0.70850 0.33800 1.0000 + O O1202 1.0 0.66648 0.75017 0.33800 1.0000 + O O1203 1.0 0.62481 0.79183 0.33800 1.0000 + O O1204 1.0 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O1293 1.0 0.66648 0.33350 0.33800 1.0000 + O O1294 1.0 0.62481 0.37517 0.33800 1.0000 + O O1295 1.0 0.58314 0.41683 0.33800 1.0000 + O O1296 1.0 0.54148 0.45850 0.33800 1.0000 + O O1297 1.0 0.47902 0.52109 0.33811 1.0000 + O O1298 1.0 0.43735 0.56275 0.33811 1.0000 + O O1299 1.0 0.39568 0.60442 0.33811 1.0000 + O O1300 1.0 0.35402 0.64609 0.33811 1.0000 + O O1301 1.0 0.31235 0.68775 0.33811 1.0000 + O O1302 1.0 0.27068 0.72942 0.33811 1.0000 + O O1303 1.0 0.22902 0.77109 0.33811 1.0000 + O O1304 1.0 0.18735 0.81275 0.33811 1.0000 + O O1305 1.0 0.14568 0.85442 0.33811 1.0000 + O O1306 1.0 0.10402 0.89609 0.33811 1.0000 + O O1307 1.0 0.06235 0.93775 0.33811 1.0000 + O O1308 1.0 0.02068 0.97942 0.33811 1.0000 + O O1309 1.0 0.52068 0.56275 0.33811 1.0000 + O O1310 1.0 0.47902 0.60442 0.33811 1.0000 + O O1311 1.0 0.43735 0.64609 0.33811 1.0000 + O O1312 1.0 0.39568 0.68775 0.33811 1.0000 + O O1313 1.0 0.35402 0.72942 0.33811 1.0000 + O O1314 1.0 0.31235 0.77109 0.33811 1.0000 + O O1315 1.0 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1.0000 + O O2270 1.0 0.86096 0.95849 0.66073 1.0000 + O O2271 1.0 0.81929 0.00015 0.66073 1.0000 + O O2272 1.0 0.77762 0.04182 0.66073 1.0000 + O O2273 1.0 0.73596 0.08349 0.66073 1.0000 + O O2274 1.0 0.69429 0.12515 0.66073 1.0000 + O O2275 1.0 0.65262 0.16682 0.66073 1.0000 + O O2276 1.0 0.61096 0.20849 0.66073 1.0000 + O O2277 1.0 0.56929 0.25015 0.66073 1.0000 + O O2278 1.0 0.52762 0.29182 0.66073 1.0000 + O O2279 1.0 0.48596 0.33349 0.66073 1.0000 + O O2280 1.0 0.44429 0.37515 0.66073 1.0000 + O O2281 1.0 0.94429 0.95849 0.66073 1.0000 + O O2282 1.0 0.90262 0.00015 0.66073 1.0000 + O O2283 1.0 0.86096 0.04182 0.66073 1.0000 + O O2284 1.0 0.81929 0.08349 0.66073 1.0000 + O O2285 1.0 0.77762 0.12515 0.66073 1.0000 + O O2286 1.0 0.73596 0.16682 0.66073 1.0000 + O O2287 1.0 0.69429 0.20849 0.66073 1.0000 + O O2288 1.0 0.65262 0.25015 0.66073 1.0000 + O O2289 1.0 0.61096 0.29182 0.66073 1.0000 + O O2290 1.0 0.56929 0.33349 0.66073 1.0000 + O O2291 1.0 0.52762 0.37515 0.66073 1.0000 + O O2292 1.0 0.48596 0.41682 0.66073 1.0000 + O O2293 1.0 0.98596 0.00015 0.66073 1.0000 + O O2294 1.0 0.94429 0.04182 0.66073 1.0000 + O O2295 1.0 0.90262 0.08349 0.66073 1.0000 + O O2296 1.0 0.86096 0.12515 0.66073 1.0000 + O O2297 1.0 0.81929 0.16682 0.66073 1.0000 + O O2298 1.0 0.77762 0.20849 0.66073 1.0000 + O O2299 1.0 0.73596 0.25015 0.66073 1.0000 + O O2300 1.0 0.69429 0.29182 0.66073 1.0000 + O O2301 1.0 0.65262 0.33349 0.66073 1.0000 + O O2302 1.0 0.61096 0.37515 0.66073 1.0000 + O O2303 1.0 0.56929 0.41682 0.66073 1.0000 + O O2304 1.0 0.52762 0.45849 0.66073 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4378_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4378_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..563b8cecdcd076611cec79b7635c09e329914627 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4378_supercell_12x12x1.cif @@ -0,0 +1,1753 @@ +data_image0 +_chemical_formula_structural Ti576O1152 +_chemical_formula_sum "Ti576 O1152" +_cell_length_a 62.1821 +_cell_length_b 71.8323 +_cell_length_c 5.96773 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Ti Ti1 1.0 0.08275 0.06250 0.47617 1.0000 + Ti Ti2 1.0 0.08275 0.14583 0.47617 1.0000 + Ti Ti3 1.0 0.08275 0.22917 0.47617 1.0000 + Ti Ti4 1.0 0.08275 0.31250 0.47617 1.0000 + Ti Ti5 1.0 0.08275 0.39583 0.47617 1.0000 + Ti Ti6 1.0 0.08275 0.47917 0.47617 1.0000 + Ti Ti7 1.0 0.08275 0.56250 0.47617 1.0000 + Ti Ti8 1.0 0.08275 0.64583 0.47617 1.0000 + Ti Ti9 1.0 0.08275 0.72917 0.47617 1.0000 + Ti Ti10 1.0 0.08275 0.81250 0.47617 1.0000 + Ti Ti11 1.0 0.08275 0.89583 0.47617 1.0000 + Ti Ti12 1.0 0.08275 0.97917 0.47617 1.0000 + Ti Ti13 1.0 0.16609 0.06250 0.47617 1.0000 + Ti Ti14 1.0 0.16609 0.14583 0.47617 1.0000 + Ti Ti15 1.0 0.16609 0.22917 0.47617 1.0000 + Ti Ti16 1.0 0.16609 0.31250 0.47617 1.0000 + Ti Ti17 1.0 0.16609 0.39583 0.47617 1.0000 + Ti Ti18 1.0 0.16609 0.47917 0.47617 1.0000 + Ti Ti19 1.0 0.16609 0.56250 0.47617 1.0000 + Ti Ti20 1.0 0.16609 0.64583 0.47617 1.0000 + Ti Ti21 1.0 0.16609 0.72917 0.47617 1.0000 + Ti Ti22 1.0 0.16609 0.81250 0.47617 1.0000 + Ti Ti23 1.0 0.16609 0.89583 0.47617 1.0000 + Ti Ti24 1.0 0.16609 0.97917 0.47617 1.0000 + Ti Ti25 1.0 0.24942 0.06250 0.47617 1.0000 + Ti Ti26 1.0 0.24942 0.14583 0.47617 1.0000 + Ti Ti27 1.0 0.24942 0.22917 0.47617 1.0000 + Ti Ti28 1.0 0.24942 0.31250 0.47617 1.0000 + Ti Ti29 1.0 0.24942 0.39583 0.47617 1.0000 + Ti Ti30 1.0 0.24942 0.47917 0.47617 1.0000 + Ti Ti31 1.0 0.24942 0.56250 0.47617 1.0000 + Ti Ti32 1.0 0.24942 0.64583 0.47617 1.0000 + Ti Ti33 1.0 0.24942 0.72917 0.47617 1.0000 + Ti Ti34 1.0 0.24942 0.81250 0.47617 1.0000 + Ti Ti35 1.0 0.24942 0.89583 0.47617 1.0000 + Ti Ti36 1.0 0.24942 0.97917 0.47617 1.0000 + Ti Ti37 1.0 0.33275 0.06250 0.47617 1.0000 + Ti Ti38 1.0 0.33275 0.14583 0.47617 1.0000 + Ti Ti39 1.0 0.33275 0.22917 0.47617 1.0000 + Ti Ti40 1.0 0.33275 0.31250 0.47617 1.0000 + Ti Ti41 1.0 0.33275 0.39583 0.47617 1.0000 + Ti Ti42 1.0 0.33275 0.47917 0.47617 1.0000 + Ti Ti43 1.0 0.33275 0.56250 0.47617 1.0000 + Ti Ti44 1.0 0.33275 0.64583 0.47617 1.0000 + Ti Ti45 1.0 0.33275 0.72917 0.47617 1.0000 + Ti Ti46 1.0 0.33275 0.81250 0.47617 1.0000 + Ti Ti47 1.0 0.33275 0.89583 0.47617 1.0000 + Ti Ti48 1.0 0.33275 0.97917 0.47617 1.0000 + Ti Ti49 1.0 0.41609 0.06250 0.47617 1.0000 + Ti Ti50 1.0 0.41609 0.14583 0.47617 1.0000 + Ti Ti51 1.0 0.41609 0.22917 0.47617 1.0000 + Ti Ti52 1.0 0.41609 0.31250 0.47617 1.0000 + Ti Ti53 1.0 0.41609 0.39583 0.47617 1.0000 + Ti Ti54 1.0 0.41609 0.47917 0.47617 1.0000 + Ti Ti55 1.0 0.41609 0.56250 0.47617 1.0000 + Ti Ti56 1.0 0.41609 0.64583 0.47617 1.0000 + Ti Ti57 1.0 0.41609 0.72917 0.47617 1.0000 + Ti Ti58 1.0 0.41609 0.81250 0.47617 1.0000 + Ti Ti59 1.0 0.41609 0.89583 0.47617 1.0000 + Ti Ti60 1.0 0.41609 0.97917 0.47617 1.0000 + Ti Ti61 1.0 0.49942 0.06250 0.47617 1.0000 + Ti Ti62 1.0 0.49942 0.14583 0.47617 1.0000 + Ti Ti63 1.0 0.49942 0.22917 0.47617 1.0000 + Ti Ti64 1.0 0.49942 0.31250 0.47617 1.0000 + Ti Ti65 1.0 0.49942 0.39583 0.47617 1.0000 + Ti Ti66 1.0 0.49942 0.47917 0.47617 1.0000 + Ti Ti67 1.0 0.49942 0.56250 0.47617 1.0000 + Ti Ti68 1.0 0.49942 0.64583 0.47617 1.0000 + Ti Ti69 1.0 0.49942 0.72917 0.47617 1.0000 + Ti Ti70 1.0 0.49942 0.81250 0.47617 1.0000 + Ti Ti71 1.0 0.49942 0.89583 0.47617 1.0000 + Ti Ti72 1.0 0.49942 0.97917 0.47617 1.0000 + Ti Ti73 1.0 0.58275 0.06250 0.47617 1.0000 + Ti Ti74 1.0 0.58275 0.14583 0.47617 1.0000 + Ti Ti75 1.0 0.58275 0.22917 0.47617 1.0000 + Ti Ti76 1.0 0.58275 0.31250 0.47617 1.0000 + Ti Ti77 1.0 0.58275 0.39583 0.47617 1.0000 + Ti Ti78 1.0 0.58275 0.47917 0.47617 1.0000 + Ti Ti79 1.0 0.58275 0.56250 0.47617 1.0000 + Ti Ti80 1.0 0.58275 0.64583 0.47617 1.0000 + Ti Ti81 1.0 0.58275 0.72917 0.47617 1.0000 + Ti Ti82 1.0 0.58275 0.81250 0.47617 1.0000 + Ti Ti83 1.0 0.58275 0.89583 0.47617 1.0000 + Ti Ti84 1.0 0.58275 0.97917 0.47617 1.0000 + Ti Ti85 1.0 0.66609 0.06250 0.47617 1.0000 + Ti Ti86 1.0 0.66609 0.14583 0.47617 1.0000 + Ti Ti87 1.0 0.66609 0.22917 0.47617 1.0000 + Ti Ti88 1.0 0.66609 0.31250 0.47617 1.0000 + Ti Ti89 1.0 0.66609 0.39583 0.47617 1.0000 + Ti Ti90 1.0 0.66609 0.47917 0.47617 1.0000 + Ti Ti91 1.0 0.66609 0.56250 0.47617 1.0000 + Ti Ti92 1.0 0.66609 0.64583 0.47617 1.0000 + Ti Ti93 1.0 0.66609 0.72917 0.47617 1.0000 + Ti Ti94 1.0 0.66609 0.81250 0.47617 1.0000 + Ti Ti95 1.0 0.66609 0.89583 0.47617 1.0000 + Ti Ti96 1.0 0.66609 0.97917 0.47617 1.0000 + Ti Ti97 1.0 0.74942 0.06250 0.47617 1.0000 + Ti Ti98 1.0 0.74942 0.14583 0.47617 1.0000 + Ti Ti99 1.0 0.74942 0.22917 0.47617 1.0000 + Ti Ti100 1.0 0.74942 0.31250 0.47617 1.0000 + Ti Ti101 1.0 0.74942 0.39583 0.47617 1.0000 + Ti Ti102 1.0 0.74942 0.47917 0.47617 1.0000 + Ti Ti103 1.0 0.74942 0.56250 0.47617 1.0000 + Ti Ti104 1.0 0.74942 0.64583 0.47617 1.0000 + Ti Ti105 1.0 0.74942 0.72917 0.47617 1.0000 + Ti Ti106 1.0 0.74942 0.81250 0.47617 1.0000 + Ti Ti107 1.0 0.74942 0.89583 0.47617 1.0000 + Ti Ti108 1.0 0.74942 0.97917 0.47617 1.0000 + Ti Ti109 1.0 0.83275 0.06250 0.47617 1.0000 + Ti Ti110 1.0 0.83275 0.14583 0.47617 1.0000 + Ti Ti111 1.0 0.83275 0.22917 0.47617 1.0000 + Ti Ti112 1.0 0.83275 0.31250 0.47617 1.0000 + Ti Ti113 1.0 0.83275 0.39583 0.47617 1.0000 + Ti Ti114 1.0 0.83275 0.47917 0.47617 1.0000 + Ti Ti115 1.0 0.83275 0.56250 0.47617 1.0000 + Ti Ti116 1.0 0.83275 0.64583 0.47617 1.0000 + Ti Ti117 1.0 0.83275 0.72917 0.47617 1.0000 + Ti Ti118 1.0 0.83275 0.81250 0.47617 1.0000 + Ti Ti119 1.0 0.83275 0.89583 0.47617 1.0000 + Ti Ti120 1.0 0.83275 0.97917 0.47617 1.0000 + Ti Ti121 1.0 0.91609 0.06250 0.47617 1.0000 + Ti Ti122 1.0 0.91609 0.14583 0.47617 1.0000 + Ti Ti123 1.0 0.91609 0.22917 0.47617 1.0000 + Ti Ti124 1.0 0.91609 0.31250 0.47617 1.0000 + Ti Ti125 1.0 0.91609 0.39583 0.47617 1.0000 + Ti Ti126 1.0 0.91609 0.47917 0.47617 1.0000 + Ti Ti127 1.0 0.91609 0.56250 0.47617 1.0000 + Ti Ti128 1.0 0.91609 0.64583 0.47617 1.0000 + Ti Ti129 1.0 0.91609 0.72917 0.47617 1.0000 + Ti Ti130 1.0 0.91609 0.81250 0.47617 1.0000 + Ti Ti131 1.0 0.91609 0.89583 0.47617 1.0000 + Ti Ti132 1.0 0.91609 0.97917 0.47617 1.0000 + Ti Ti133 1.0 0.99942 0.06250 0.47617 1.0000 + Ti Ti134 1.0 0.99942 0.14583 0.47617 1.0000 + Ti Ti135 1.0 0.99942 0.22917 0.47617 1.0000 + Ti Ti136 1.0 0.99942 0.31250 0.47617 1.0000 + Ti Ti137 1.0 0.99942 0.39583 0.47617 1.0000 + Ti Ti138 1.0 0.99942 0.47917 0.47617 1.0000 + Ti Ti139 1.0 0.99942 0.56250 0.47617 1.0000 + Ti Ti140 1.0 0.99942 0.64583 0.47617 1.0000 + Ti Ti141 1.0 0.99942 0.72917 0.47617 1.0000 + Ti Ti142 1.0 0.99942 0.81250 0.47617 1.0000 + Ti Ti143 1.0 0.99942 0.89583 0.47617 1.0000 + Ti Ti144 1.0 0.99942 0.97917 0.47617 1.0000 + Ti Ti145 1.0 0.00058 0.02083 0.52383 1.0000 + Ti Ti146 1.0 0.00058 0.10417 0.52383 1.0000 + Ti Ti147 1.0 0.00058 0.18750 0.52383 1.0000 + Ti Ti148 1.0 0.00058 0.27083 0.52383 1.0000 + Ti Ti149 1.0 0.00058 0.35417 0.52383 1.0000 + Ti Ti150 1.0 0.00058 0.43750 0.52383 1.0000 + Ti Ti151 1.0 0.00058 0.52083 0.52383 1.0000 + Ti Ti152 1.0 0.00058 0.60417 0.52383 1.0000 + Ti Ti153 1.0 0.00058 0.68750 0.52383 1.0000 + Ti Ti154 1.0 0.00058 0.77083 0.52383 1.0000 + Ti Ti155 1.0 0.00058 0.85417 0.52383 1.0000 + Ti Ti156 1.0 0.00058 0.93750 0.52383 1.0000 + Ti Ti157 1.0 0.08391 0.02083 0.52383 1.0000 + Ti Ti158 1.0 0.08391 0.10417 0.52383 1.0000 + Ti Ti159 1.0 0.08391 0.18750 0.52383 1.0000 + Ti Ti160 1.0 0.08391 0.27083 0.52383 1.0000 + Ti Ti161 1.0 0.08391 0.35417 0.52383 1.0000 + Ti Ti162 1.0 0.08391 0.43750 0.52383 1.0000 + Ti Ti163 1.0 0.08391 0.52083 0.52383 1.0000 + Ti Ti164 1.0 0.08391 0.60417 0.52383 1.0000 + Ti Ti165 1.0 0.08391 0.68750 0.52383 1.0000 + Ti Ti166 1.0 0.08391 0.77083 0.52383 1.0000 + Ti Ti167 1.0 0.08391 0.85417 0.52383 1.0000 + Ti Ti168 1.0 0.08391 0.93750 0.52383 1.0000 + Ti Ti169 1.0 0.16725 0.02083 0.52383 1.0000 + Ti Ti170 1.0 0.16725 0.10417 0.52383 1.0000 + Ti Ti171 1.0 0.16725 0.18750 0.52383 1.0000 + Ti Ti172 1.0 0.16725 0.27083 0.52383 1.0000 + Ti Ti173 1.0 0.16725 0.35417 0.52383 1.0000 + Ti Ti174 1.0 0.16725 0.43750 0.52383 1.0000 + Ti Ti175 1.0 0.16725 0.52083 0.52383 1.0000 + Ti Ti176 1.0 0.16725 0.60417 0.52383 1.0000 + Ti Ti177 1.0 0.16725 0.68750 0.52383 1.0000 + Ti Ti178 1.0 0.16725 0.77083 0.52383 1.0000 + Ti Ti179 1.0 0.16725 0.85417 0.52383 1.0000 + Ti Ti180 1.0 0.16725 0.93750 0.52383 1.0000 + Ti Ti181 1.0 0.25058 0.02083 0.52383 1.0000 + Ti Ti182 1.0 0.25058 0.10417 0.52383 1.0000 + Ti Ti183 1.0 0.25058 0.18750 0.52383 1.0000 + Ti Ti184 1.0 0.25058 0.27083 0.52383 1.0000 + Ti Ti185 1.0 0.25058 0.35417 0.52383 1.0000 + Ti Ti186 1.0 0.25058 0.43750 0.52383 1.0000 + Ti Ti187 1.0 0.25058 0.52083 0.52383 1.0000 + Ti Ti188 1.0 0.25058 0.60417 0.52383 1.0000 + Ti Ti189 1.0 0.25058 0.68750 0.52383 1.0000 + Ti Ti190 1.0 0.25058 0.77083 0.52383 1.0000 + Ti Ti191 1.0 0.25058 0.85417 0.52383 1.0000 + Ti Ti192 1.0 0.25058 0.93750 0.52383 1.0000 + Ti Ti193 1.0 0.33391 0.02083 0.52383 1.0000 + Ti Ti194 1.0 0.33391 0.10417 0.52383 1.0000 + Ti Ti195 1.0 0.33391 0.18750 0.52383 1.0000 + Ti Ti196 1.0 0.33391 0.27083 0.52383 1.0000 + Ti Ti197 1.0 0.33391 0.35417 0.52383 1.0000 + Ti Ti198 1.0 0.33391 0.43750 0.52383 1.0000 + Ti Ti199 1.0 0.33391 0.52083 0.52383 1.0000 + Ti Ti200 1.0 0.33391 0.60417 0.52383 1.0000 + Ti Ti201 1.0 0.33391 0.68750 0.52383 1.0000 + Ti Ti202 1.0 0.33391 0.77083 0.52383 1.0000 + Ti Ti203 1.0 0.33391 0.85417 0.52383 1.0000 + Ti Ti204 1.0 0.33391 0.93750 0.52383 1.0000 + Ti Ti205 1.0 0.41725 0.02083 0.52383 1.0000 + Ti Ti206 1.0 0.41725 0.10417 0.52383 1.0000 + Ti Ti207 1.0 0.41725 0.18750 0.52383 1.0000 + Ti Ti208 1.0 0.41725 0.27083 0.52383 1.0000 + Ti Ti209 1.0 0.41725 0.35417 0.52383 1.0000 + Ti Ti210 1.0 0.41725 0.43750 0.52383 1.0000 + Ti Ti211 1.0 0.41725 0.52083 0.52383 1.0000 + Ti Ti212 1.0 0.41725 0.60417 0.52383 1.0000 + Ti Ti213 1.0 0.41725 0.68750 0.52383 1.0000 + Ti Ti214 1.0 0.41725 0.77083 0.52383 1.0000 + Ti Ti215 1.0 0.41725 0.85417 0.52383 1.0000 + Ti Ti216 1.0 0.41725 0.93750 0.52383 1.0000 + Ti Ti217 1.0 0.50058 0.02083 0.52383 1.0000 + Ti Ti218 1.0 0.50058 0.10417 0.52383 1.0000 + Ti Ti219 1.0 0.50058 0.18750 0.52383 1.0000 + Ti Ti220 1.0 0.50058 0.27083 0.52383 1.0000 + Ti Ti221 1.0 0.50058 0.35417 0.52383 1.0000 + Ti Ti222 1.0 0.50058 0.43750 0.52383 1.0000 + Ti Ti223 1.0 0.50058 0.52083 0.52383 1.0000 + Ti Ti224 1.0 0.50058 0.60417 0.52383 1.0000 + Ti Ti225 1.0 0.50058 0.68750 0.52383 1.0000 + Ti Ti226 1.0 0.50058 0.77083 0.52383 1.0000 + Ti Ti227 1.0 0.50058 0.85417 0.52383 1.0000 + Ti Ti228 1.0 0.50058 0.93750 0.52383 1.0000 + Ti Ti229 1.0 0.58391 0.02083 0.52383 1.0000 + Ti Ti230 1.0 0.58391 0.10417 0.52383 1.0000 + Ti Ti231 1.0 0.58391 0.18750 0.52383 1.0000 + Ti Ti232 1.0 0.58391 0.27083 0.52383 1.0000 + Ti Ti233 1.0 0.58391 0.35417 0.52383 1.0000 + Ti Ti234 1.0 0.58391 0.43750 0.52383 1.0000 + Ti Ti235 1.0 0.58391 0.52083 0.52383 1.0000 + Ti Ti236 1.0 0.58391 0.60417 0.52383 1.0000 + Ti Ti237 1.0 0.58391 0.68750 0.52383 1.0000 + Ti Ti238 1.0 0.58391 0.77083 0.52383 1.0000 + Ti Ti239 1.0 0.58391 0.85417 0.52383 1.0000 + Ti Ti240 1.0 0.58391 0.93750 0.52383 1.0000 + Ti Ti241 1.0 0.66725 0.02083 0.52383 1.0000 + Ti Ti242 1.0 0.66725 0.10417 0.52383 1.0000 + Ti Ti243 1.0 0.66725 0.18750 0.52383 1.0000 + Ti Ti244 1.0 0.66725 0.27083 0.52383 1.0000 + Ti Ti245 1.0 0.66725 0.35417 0.52383 1.0000 + Ti Ti246 1.0 0.66725 0.43750 0.52383 1.0000 + Ti Ti247 1.0 0.66725 0.52083 0.52383 1.0000 + Ti Ti248 1.0 0.66725 0.60417 0.52383 1.0000 + Ti Ti249 1.0 0.66725 0.68750 0.52383 1.0000 + Ti Ti250 1.0 0.66725 0.77083 0.52383 1.0000 + Ti Ti251 1.0 0.66725 0.85417 0.52383 1.0000 + Ti Ti252 1.0 0.66725 0.93750 0.52383 1.0000 + Ti Ti253 1.0 0.75058 0.02083 0.52383 1.0000 + Ti Ti254 1.0 0.75058 0.10417 0.52383 1.0000 + Ti Ti255 1.0 0.75058 0.18750 0.52383 1.0000 + Ti Ti256 1.0 0.75058 0.27083 0.52383 1.0000 + Ti Ti257 1.0 0.75058 0.35417 0.52383 1.0000 + Ti Ti258 1.0 0.75058 0.43750 0.52383 1.0000 + Ti Ti259 1.0 0.75058 0.52083 0.52383 1.0000 + Ti Ti260 1.0 0.75058 0.60417 0.52383 1.0000 + Ti Ti261 1.0 0.75058 0.68750 0.52383 1.0000 + Ti Ti262 1.0 0.75058 0.77083 0.52383 1.0000 + Ti Ti263 1.0 0.75058 0.85417 0.52383 1.0000 + Ti Ti264 1.0 0.75058 0.93750 0.52383 1.0000 + Ti Ti265 1.0 0.83391 0.02083 0.52383 1.0000 + Ti Ti266 1.0 0.83391 0.10417 0.52383 1.0000 + Ti Ti267 1.0 0.83391 0.18750 0.52383 1.0000 + Ti Ti268 1.0 0.83391 0.27083 0.52383 1.0000 + Ti Ti269 1.0 0.83391 0.35417 0.52383 1.0000 + Ti Ti270 1.0 0.83391 0.43750 0.52383 1.0000 + Ti Ti271 1.0 0.83391 0.52083 0.52383 1.0000 + Ti Ti272 1.0 0.83391 0.60417 0.52383 1.0000 + Ti Ti273 1.0 0.83391 0.68750 0.52383 1.0000 + Ti Ti274 1.0 0.83391 0.77083 0.52383 1.0000 + Ti Ti275 1.0 0.83391 0.85417 0.52383 1.0000 + Ti Ti276 1.0 0.83391 0.93750 0.52383 1.0000 + Ti Ti277 1.0 0.91725 0.02083 0.52383 1.0000 + Ti Ti278 1.0 0.91725 0.10417 0.52383 1.0000 + Ti Ti279 1.0 0.91725 0.18750 0.52383 1.0000 + Ti Ti280 1.0 0.91725 0.27083 0.52383 1.0000 + Ti Ti281 1.0 0.91725 0.35417 0.52383 1.0000 + Ti Ti282 1.0 0.91725 0.43750 0.52383 1.0000 + Ti Ti283 1.0 0.91725 0.52083 0.52383 1.0000 + Ti Ti284 1.0 0.91725 0.60417 0.52383 1.0000 + Ti Ti285 1.0 0.91725 0.68750 0.52383 1.0000 + Ti Ti286 1.0 0.91725 0.77083 0.52383 1.0000 + Ti Ti287 1.0 0.91725 0.85417 0.52383 1.0000 + Ti Ti288 1.0 0.91725 0.93750 0.52383 1.0000 + Ti Ti289 1.0 0.04167 0.04167 0.50000 1.0000 + Ti Ti290 1.0 0.04167 0.12500 0.50000 1.0000 + Ti Ti291 1.0 0.04167 0.20833 0.50000 1.0000 + Ti Ti292 1.0 0.04167 0.29167 0.50000 1.0000 + Ti Ti293 1.0 0.04167 0.37500 0.50000 1.0000 + Ti Ti294 1.0 0.04167 0.45833 0.50000 1.0000 + Ti Ti295 1.0 0.04167 0.54167 0.50000 1.0000 + Ti Ti296 1.0 0.04167 0.62500 0.50000 1.0000 + Ti Ti297 1.0 0.04167 0.70833 0.50000 1.0000 + Ti Ti298 1.0 0.04167 0.79167 0.50000 1.0000 + Ti Ti299 1.0 0.04167 0.87500 0.50000 1.0000 + Ti Ti300 1.0 0.04167 0.95833 0.50000 1.0000 + Ti Ti301 1.0 0.12500 0.04167 0.50000 1.0000 + Ti Ti302 1.0 0.12500 0.12500 0.50000 1.0000 + Ti Ti303 1.0 0.12500 0.20833 0.50000 1.0000 + Ti Ti304 1.0 0.12500 0.29167 0.50000 1.0000 + Ti Ti305 1.0 0.12500 0.37500 0.50000 1.0000 + Ti Ti306 1.0 0.12500 0.45833 0.50000 1.0000 + Ti Ti307 1.0 0.12500 0.54167 0.50000 1.0000 + Ti Ti308 1.0 0.12500 0.62500 0.50000 1.0000 + Ti Ti309 1.0 0.12500 0.70833 0.50000 1.0000 + Ti Ti310 1.0 0.12500 0.79167 0.50000 1.0000 + Ti Ti311 1.0 0.12500 0.87500 0.50000 1.0000 + Ti Ti312 1.0 0.12500 0.95833 0.50000 1.0000 + Ti Ti313 1.0 0.20833 0.04167 0.50000 1.0000 + Ti Ti314 1.0 0.20833 0.12500 0.50000 1.0000 + Ti Ti315 1.0 0.20833 0.20833 0.50000 1.0000 + Ti Ti316 1.0 0.20833 0.29167 0.50000 1.0000 + Ti Ti317 1.0 0.20833 0.37500 0.50000 1.0000 + Ti Ti318 1.0 0.20833 0.45833 0.50000 1.0000 + Ti Ti319 1.0 0.20833 0.54167 0.50000 1.0000 + Ti Ti320 1.0 0.20833 0.62500 0.50000 1.0000 + Ti Ti321 1.0 0.20833 0.70833 0.50000 1.0000 + Ti Ti322 1.0 0.20833 0.79167 0.50000 1.0000 + Ti Ti323 1.0 0.20833 0.87500 0.50000 1.0000 + Ti Ti324 1.0 0.20833 0.95833 0.50000 1.0000 + Ti Ti325 1.0 0.29167 0.04167 0.50000 1.0000 + Ti Ti326 1.0 0.29167 0.12500 0.50000 1.0000 + Ti Ti327 1.0 0.29167 0.20833 0.50000 1.0000 + Ti Ti328 1.0 0.29167 0.29167 0.50000 1.0000 + Ti Ti329 1.0 0.29167 0.37500 0.50000 1.0000 + Ti Ti330 1.0 0.29167 0.45833 0.50000 1.0000 + Ti Ti331 1.0 0.29167 0.54167 0.50000 1.0000 + Ti Ti332 1.0 0.29167 0.62500 0.50000 1.0000 + Ti Ti333 1.0 0.29167 0.70833 0.50000 1.0000 + Ti Ti334 1.0 0.29167 0.79167 0.50000 1.0000 + Ti Ti335 1.0 0.29167 0.87500 0.50000 1.0000 + Ti Ti336 1.0 0.29167 0.95833 0.50000 1.0000 + Ti Ti337 1.0 0.37500 0.04167 0.50000 1.0000 + Ti Ti338 1.0 0.37500 0.12500 0.50000 1.0000 + Ti Ti339 1.0 0.37500 0.20833 0.50000 1.0000 + Ti Ti340 1.0 0.37500 0.29167 0.50000 1.0000 + Ti Ti341 1.0 0.37500 0.37500 0.50000 1.0000 + Ti Ti342 1.0 0.37500 0.45833 0.50000 1.0000 + Ti Ti343 1.0 0.37500 0.54167 0.50000 1.0000 + Ti Ti344 1.0 0.37500 0.62500 0.50000 1.0000 + Ti Ti345 1.0 0.37500 0.70833 0.50000 1.0000 + Ti Ti346 1.0 0.37500 0.79167 0.50000 1.0000 + Ti Ti347 1.0 0.37500 0.87500 0.50000 1.0000 + Ti Ti348 1.0 0.37500 0.95833 0.50000 1.0000 + Ti Ti349 1.0 0.45833 0.04167 0.50000 1.0000 + Ti Ti350 1.0 0.45833 0.12500 0.50000 1.0000 + Ti Ti351 1.0 0.45833 0.20833 0.50000 1.0000 + Ti Ti352 1.0 0.45833 0.29167 0.50000 1.0000 + Ti Ti353 1.0 0.45833 0.37500 0.50000 1.0000 + Ti Ti354 1.0 0.45833 0.45833 0.50000 1.0000 + Ti Ti355 1.0 0.45833 0.54167 0.50000 1.0000 + Ti Ti356 1.0 0.45833 0.62500 0.50000 1.0000 + Ti Ti357 1.0 0.45833 0.70833 0.50000 1.0000 + Ti Ti358 1.0 0.45833 0.79167 0.50000 1.0000 + Ti Ti359 1.0 0.45833 0.87500 0.50000 1.0000 + Ti Ti360 1.0 0.45833 0.95833 0.50000 1.0000 + Ti Ti361 1.0 0.54167 0.04167 0.50000 1.0000 + Ti Ti362 1.0 0.54167 0.12500 0.50000 1.0000 + Ti Ti363 1.0 0.54167 0.20833 0.50000 1.0000 + Ti Ti364 1.0 0.54167 0.29167 0.50000 1.0000 + Ti Ti365 1.0 0.54167 0.37500 0.50000 1.0000 + Ti Ti366 1.0 0.54167 0.45833 0.50000 1.0000 + Ti Ti367 1.0 0.54167 0.54167 0.50000 1.0000 + Ti Ti368 1.0 0.54167 0.62500 0.50000 1.0000 + Ti Ti369 1.0 0.54167 0.70833 0.50000 1.0000 + Ti Ti370 1.0 0.54167 0.79167 0.50000 1.0000 + Ti Ti371 1.0 0.54167 0.87500 0.50000 1.0000 + Ti Ti372 1.0 0.54167 0.95833 0.50000 1.0000 + Ti Ti373 1.0 0.62500 0.04167 0.50000 1.0000 + Ti Ti374 1.0 0.62500 0.12500 0.50000 1.0000 + Ti Ti375 1.0 0.62500 0.20833 0.50000 1.0000 + Ti Ti376 1.0 0.62500 0.29167 0.50000 1.0000 + Ti Ti377 1.0 0.62500 0.37500 0.50000 1.0000 + Ti Ti378 1.0 0.62500 0.45833 0.50000 1.0000 + Ti Ti379 1.0 0.62500 0.54167 0.50000 1.0000 + Ti Ti380 1.0 0.62500 0.62500 0.50000 1.0000 + Ti Ti381 1.0 0.62500 0.70833 0.50000 1.0000 + Ti Ti382 1.0 0.62500 0.79167 0.50000 1.0000 + Ti Ti383 1.0 0.62500 0.87500 0.50000 1.0000 + Ti Ti384 1.0 0.62500 0.95833 0.50000 1.0000 + Ti Ti385 1.0 0.70833 0.04167 0.50000 1.0000 + Ti Ti386 1.0 0.70833 0.12500 0.50000 1.0000 + Ti Ti387 1.0 0.70833 0.20833 0.50000 1.0000 + Ti Ti388 1.0 0.70833 0.29167 0.50000 1.0000 + Ti Ti389 1.0 0.70833 0.37500 0.50000 1.0000 + Ti Ti390 1.0 0.70833 0.45833 0.50000 1.0000 + Ti Ti391 1.0 0.70833 0.54167 0.50000 1.0000 + Ti Ti392 1.0 0.70833 0.62500 0.50000 1.0000 + Ti Ti393 1.0 0.70833 0.70833 0.50000 1.0000 + Ti Ti394 1.0 0.70833 0.79167 0.50000 1.0000 + Ti Ti395 1.0 0.70833 0.87500 0.50000 1.0000 + Ti Ti396 1.0 0.70833 0.95833 0.50000 1.0000 + Ti Ti397 1.0 0.79167 0.04167 0.50000 1.0000 + Ti Ti398 1.0 0.79167 0.12500 0.50000 1.0000 + Ti Ti399 1.0 0.79167 0.20833 0.50000 1.0000 + Ti Ti400 1.0 0.79167 0.29167 0.50000 1.0000 + Ti Ti401 1.0 0.79167 0.37500 0.50000 1.0000 + Ti Ti402 1.0 0.79167 0.45833 0.50000 1.0000 + Ti Ti403 1.0 0.79167 0.54167 0.50000 1.0000 + Ti Ti404 1.0 0.79167 0.62500 0.50000 1.0000 + Ti Ti405 1.0 0.79167 0.70833 0.50000 1.0000 + Ti Ti406 1.0 0.79167 0.79167 0.50000 1.0000 + Ti Ti407 1.0 0.79167 0.87500 0.50000 1.0000 + Ti Ti408 1.0 0.79167 0.95833 0.50000 1.0000 + Ti Ti409 1.0 0.87500 0.04167 0.50000 1.0000 + Ti Ti410 1.0 0.87500 0.12500 0.50000 1.0000 + Ti Ti411 1.0 0.87500 0.20833 0.50000 1.0000 + Ti Ti412 1.0 0.87500 0.29167 0.50000 1.0000 + Ti Ti413 1.0 0.87500 0.37500 0.50000 1.0000 + Ti Ti414 1.0 0.87500 0.45833 0.50000 1.0000 + Ti Ti415 1.0 0.87500 0.54167 0.50000 1.0000 + Ti Ti416 1.0 0.87500 0.62500 0.50000 1.0000 + Ti Ti417 1.0 0.87500 0.70833 0.50000 1.0000 + Ti Ti418 1.0 0.87500 0.79167 0.50000 1.0000 + Ti Ti419 1.0 0.87500 0.87500 0.50000 1.0000 + Ti Ti420 1.0 0.87500 0.95833 0.50000 1.0000 + Ti Ti421 1.0 0.95833 0.04167 0.50000 1.0000 + Ti Ti422 1.0 0.95833 0.12500 0.50000 1.0000 + Ti Ti423 1.0 0.95833 0.20833 0.50000 1.0000 + Ti Ti424 1.0 0.95833 0.29167 0.50000 1.0000 + Ti Ti425 1.0 0.95833 0.37500 0.50000 1.0000 + Ti Ti426 1.0 0.95833 0.45833 0.50000 1.0000 + Ti Ti427 1.0 0.95833 0.54167 0.50000 1.0000 + Ti Ti428 1.0 0.95833 0.62500 0.50000 1.0000 + Ti Ti429 1.0 0.95833 0.70833 0.50000 1.0000 + Ti Ti430 1.0 0.95833 0.79167 0.50000 1.0000 + Ti Ti431 1.0 0.95833 0.87500 0.50000 1.0000 + Ti Ti432 1.0 0.95833 0.95833 0.50000 1.0000 + Ti Ti433 1.0 0.04167 0.00000 0.50000 1.0000 + Ti Ti434 1.0 0.04167 0.08333 0.50000 1.0000 + Ti Ti435 1.0 0.04167 0.16667 0.50000 1.0000 + Ti Ti436 1.0 0.04167 0.25000 0.50000 1.0000 + Ti Ti437 1.0 0.04167 0.33333 0.50000 1.0000 + Ti Ti438 1.0 0.04167 0.41667 0.50000 1.0000 + Ti Ti439 1.0 0.04167 0.50000 0.50000 1.0000 + Ti Ti440 1.0 0.04167 0.58333 0.50000 1.0000 + Ti Ti441 1.0 0.04167 0.66667 0.50000 1.0000 + Ti Ti442 1.0 0.04167 0.75000 0.50000 1.0000 + Ti Ti443 1.0 0.04167 0.83333 0.50000 1.0000 + Ti Ti444 1.0 0.04167 0.91667 0.50000 1.0000 + Ti Ti445 1.0 0.12500 0.00000 0.50000 1.0000 + Ti Ti446 1.0 0.12500 0.08333 0.50000 1.0000 + Ti Ti447 1.0 0.12500 0.16667 0.50000 1.0000 + Ti Ti448 1.0 0.12500 0.25000 0.50000 1.0000 + Ti Ti449 1.0 0.12500 0.33333 0.50000 1.0000 + Ti Ti450 1.0 0.12500 0.41667 0.50000 1.0000 + Ti Ti451 1.0 0.12500 0.50000 0.50000 1.0000 + Ti Ti452 1.0 0.12500 0.58333 0.50000 1.0000 + Ti Ti453 1.0 0.12500 0.66667 0.50000 1.0000 + Ti Ti454 1.0 0.12500 0.75000 0.50000 1.0000 + Ti Ti455 1.0 0.12500 0.83333 0.50000 1.0000 + Ti Ti456 1.0 0.12500 0.91667 0.50000 1.0000 + Ti Ti457 1.0 0.20833 0.00000 0.50000 1.0000 + Ti Ti458 1.0 0.20833 0.08333 0.50000 1.0000 + Ti Ti459 1.0 0.20833 0.16667 0.50000 1.0000 + Ti Ti460 1.0 0.20833 0.25000 0.50000 1.0000 + Ti Ti461 1.0 0.20833 0.33333 0.50000 1.0000 + Ti Ti462 1.0 0.20833 0.41667 0.50000 1.0000 + Ti Ti463 1.0 0.20833 0.50000 0.50000 1.0000 + Ti Ti464 1.0 0.20833 0.58333 0.50000 1.0000 + Ti Ti465 1.0 0.20833 0.66667 0.50000 1.0000 + Ti Ti466 1.0 0.20833 0.75000 0.50000 1.0000 + Ti Ti467 1.0 0.20833 0.83333 0.50000 1.0000 + Ti Ti468 1.0 0.20833 0.91667 0.50000 1.0000 + Ti Ti469 1.0 0.29167 0.00000 0.50000 1.0000 + Ti Ti470 1.0 0.29167 0.08333 0.50000 1.0000 + Ti Ti471 1.0 0.29167 0.16667 0.50000 1.0000 + Ti Ti472 1.0 0.29167 0.25000 0.50000 1.0000 + Ti Ti473 1.0 0.29167 0.33333 0.50000 1.0000 + Ti Ti474 1.0 0.29167 0.41667 0.50000 1.0000 + Ti Ti475 1.0 0.29167 0.50000 0.50000 1.0000 + Ti Ti476 1.0 0.29167 0.58333 0.50000 1.0000 + Ti Ti477 1.0 0.29167 0.66667 0.50000 1.0000 + Ti Ti478 1.0 0.29167 0.75000 0.50000 1.0000 + Ti Ti479 1.0 0.29167 0.83333 0.50000 1.0000 + Ti Ti480 1.0 0.29167 0.91667 0.50000 1.0000 + Ti Ti481 1.0 0.37500 0.00000 0.50000 1.0000 + Ti Ti482 1.0 0.37500 0.08333 0.50000 1.0000 + Ti Ti483 1.0 0.37500 0.16667 0.50000 1.0000 + Ti Ti484 1.0 0.37500 0.25000 0.50000 1.0000 + Ti Ti485 1.0 0.37500 0.33333 0.50000 1.0000 + Ti Ti486 1.0 0.37500 0.41667 0.50000 1.0000 + Ti Ti487 1.0 0.37500 0.50000 0.50000 1.0000 + Ti Ti488 1.0 0.37500 0.58333 0.50000 1.0000 + Ti Ti489 1.0 0.37500 0.66667 0.50000 1.0000 + Ti Ti490 1.0 0.37500 0.75000 0.50000 1.0000 + Ti Ti491 1.0 0.37500 0.83333 0.50000 1.0000 + Ti Ti492 1.0 0.37500 0.91667 0.50000 1.0000 + Ti Ti493 1.0 0.45833 0.00000 0.50000 1.0000 + Ti Ti494 1.0 0.45833 0.08333 0.50000 1.0000 + Ti Ti495 1.0 0.45833 0.16667 0.50000 1.0000 + Ti Ti496 1.0 0.45833 0.25000 0.50000 1.0000 + Ti Ti497 1.0 0.45833 0.33333 0.50000 1.0000 + Ti Ti498 1.0 0.45833 0.41667 0.50000 1.0000 + Ti Ti499 1.0 0.45833 0.50000 0.50000 1.0000 + Ti Ti500 1.0 0.45833 0.58333 0.50000 1.0000 + Ti Ti501 1.0 0.45833 0.66667 0.50000 1.0000 + Ti Ti502 1.0 0.45833 0.75000 0.50000 1.0000 + Ti Ti503 1.0 0.45833 0.83333 0.50000 1.0000 + Ti Ti504 1.0 0.45833 0.91667 0.50000 1.0000 + Ti Ti505 1.0 0.54167 0.00000 0.50000 1.0000 + Ti Ti506 1.0 0.54167 0.08333 0.50000 1.0000 + Ti Ti507 1.0 0.54167 0.16667 0.50000 1.0000 + Ti Ti508 1.0 0.54167 0.25000 0.50000 1.0000 + Ti Ti509 1.0 0.54167 0.33333 0.50000 1.0000 + Ti Ti510 1.0 0.54167 0.41667 0.50000 1.0000 + Ti Ti511 1.0 0.54167 0.50000 0.50000 1.0000 + Ti Ti512 1.0 0.54167 0.58333 0.50000 1.0000 + Ti Ti513 1.0 0.54167 0.66667 0.50000 1.0000 + Ti Ti514 1.0 0.54167 0.75000 0.50000 1.0000 + Ti Ti515 1.0 0.54167 0.83333 0.50000 1.0000 + Ti Ti516 1.0 0.54167 0.91667 0.50000 1.0000 + Ti Ti517 1.0 0.62500 0.00000 0.50000 1.0000 + Ti Ti518 1.0 0.62500 0.08333 0.50000 1.0000 + Ti Ti519 1.0 0.62500 0.16667 0.50000 1.0000 + Ti Ti520 1.0 0.62500 0.25000 0.50000 1.0000 + Ti Ti521 1.0 0.62500 0.33333 0.50000 1.0000 + Ti Ti522 1.0 0.62500 0.41667 0.50000 1.0000 + Ti Ti523 1.0 0.62500 0.50000 0.50000 1.0000 + Ti Ti524 1.0 0.62500 0.58333 0.50000 1.0000 + Ti Ti525 1.0 0.62500 0.66667 0.50000 1.0000 + Ti Ti526 1.0 0.62500 0.75000 0.50000 1.0000 + Ti Ti527 1.0 0.62500 0.83333 0.50000 1.0000 + Ti Ti528 1.0 0.62500 0.91667 0.50000 1.0000 + Ti Ti529 1.0 0.70833 0.00000 0.50000 1.0000 + Ti Ti530 1.0 0.70833 0.08333 0.50000 1.0000 + Ti Ti531 1.0 0.70833 0.16667 0.50000 1.0000 + Ti Ti532 1.0 0.70833 0.25000 0.50000 1.0000 + Ti Ti533 1.0 0.70833 0.33333 0.50000 1.0000 + Ti Ti534 1.0 0.70833 0.41667 0.50000 1.0000 + Ti Ti535 1.0 0.70833 0.50000 0.50000 1.0000 + Ti Ti536 1.0 0.70833 0.58333 0.50000 1.0000 + Ti Ti537 1.0 0.70833 0.66667 0.50000 1.0000 + Ti Ti538 1.0 0.70833 0.75000 0.50000 1.0000 + Ti Ti539 1.0 0.70833 0.83333 0.50000 1.0000 + Ti Ti540 1.0 0.70833 0.91667 0.50000 1.0000 + Ti Ti541 1.0 0.79167 0.00000 0.50000 1.0000 + Ti Ti542 1.0 0.79167 0.08333 0.50000 1.0000 + Ti Ti543 1.0 0.79167 0.16667 0.50000 1.0000 + Ti Ti544 1.0 0.79167 0.25000 0.50000 1.0000 + Ti Ti545 1.0 0.79167 0.33333 0.50000 1.0000 + Ti Ti546 1.0 0.79167 0.41667 0.50000 1.0000 + Ti Ti547 1.0 0.79167 0.50000 0.50000 1.0000 + Ti Ti548 1.0 0.79167 0.58333 0.50000 1.0000 + Ti Ti549 1.0 0.79167 0.66667 0.50000 1.0000 + Ti Ti550 1.0 0.79167 0.75000 0.50000 1.0000 + Ti Ti551 1.0 0.79167 0.83333 0.50000 1.0000 + Ti Ti552 1.0 0.79167 0.91667 0.50000 1.0000 + Ti Ti553 1.0 0.87500 0.00000 0.50000 1.0000 + Ti Ti554 1.0 0.87500 0.08333 0.50000 1.0000 + Ti Ti555 1.0 0.87500 0.16667 0.50000 1.0000 + Ti Ti556 1.0 0.87500 0.25000 0.50000 1.0000 + Ti Ti557 1.0 0.87500 0.33333 0.50000 1.0000 + Ti Ti558 1.0 0.87500 0.41667 0.50000 1.0000 + Ti Ti559 1.0 0.87500 0.50000 0.50000 1.0000 + Ti Ti560 1.0 0.87500 0.58333 0.50000 1.0000 + Ti Ti561 1.0 0.87500 0.66667 0.50000 1.0000 + Ti Ti562 1.0 0.87500 0.75000 0.50000 1.0000 + Ti Ti563 1.0 0.87500 0.83333 0.50000 1.0000 + Ti Ti564 1.0 0.87500 0.91667 0.50000 1.0000 + Ti Ti565 1.0 0.95833 0.00000 0.50000 1.0000 + Ti Ti566 1.0 0.95833 0.08333 0.50000 1.0000 + Ti Ti567 1.0 0.95833 0.16667 0.50000 1.0000 + Ti Ti568 1.0 0.95833 0.25000 0.50000 1.0000 + Ti Ti569 1.0 0.95833 0.33333 0.50000 1.0000 + Ti Ti570 1.0 0.95833 0.41667 0.50000 1.0000 + Ti Ti571 1.0 0.95833 0.50000 0.50000 1.0000 + Ti Ti572 1.0 0.95833 0.58333 0.50000 1.0000 + Ti Ti573 1.0 0.95833 0.66667 0.50000 1.0000 + Ti Ti574 1.0 0.95833 0.75000 0.50000 1.0000 + Ti Ti575 1.0 0.95833 0.83333 0.50000 1.0000 + Ti Ti576 1.0 0.95833 0.91667 0.50000 1.0000 + O O1 1.0 0.02777 0.06250 0.33514 1.0000 + O O2 1.0 0.02777 0.14583 0.33514 1.0000 + O O3 1.0 0.02777 0.22917 0.33514 1.0000 + O O4 1.0 0.02777 0.31250 0.33514 1.0000 + O O5 1.0 0.02777 0.39583 0.33514 1.0000 + O O6 1.0 0.02777 0.47917 0.33514 1.0000 + O O7 1.0 0.02777 0.56250 0.33514 1.0000 + O O8 1.0 0.02777 0.64583 0.33514 1.0000 + O O9 1.0 0.02777 0.72917 0.33514 1.0000 + O O10 1.0 0.02777 0.81250 0.33514 1.0000 + O O11 1.0 0.02777 0.89583 0.33514 1.0000 + O O12 1.0 0.02777 0.97917 0.33514 1.0000 + O O13 1.0 0.11111 0.06250 0.33514 1.0000 + O O14 1.0 0.11111 0.14583 0.33514 1.0000 + O O15 1.0 0.11111 0.22917 0.33514 1.0000 + O O16 1.0 0.11111 0.31250 0.33514 1.0000 + O O17 1.0 0.11111 0.39583 0.33514 1.0000 + O O18 1.0 0.11111 0.47917 0.33514 1.0000 + O O19 1.0 0.11111 0.56250 0.33514 1.0000 + O O20 1.0 0.11111 0.64583 0.33514 1.0000 + O O21 1.0 0.11111 0.72917 0.33514 1.0000 + O O22 1.0 0.11111 0.81250 0.33514 1.0000 + O O23 1.0 0.11111 0.89583 0.33514 1.0000 + O O24 1.0 0.11111 0.97917 0.33514 1.0000 + O O25 1.0 0.19444 0.06250 0.33514 1.0000 + O O26 1.0 0.19444 0.14583 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O2267 1.0 0.30440 0.57986 0.31968 1.0000 + O O2268 1.0 0.34606 0.62153 0.31968 1.0000 + O O2269 1.0 0.92940 0.12153 0.31968 1.0000 + O O2270 1.0 0.97106 0.16319 0.31968 1.0000 + O O2271 1.0 0.01273 0.20486 0.31968 1.0000 + O O2272 1.0 0.05440 0.24653 0.31968 1.0000 + O O2273 1.0 0.09606 0.28819 0.31968 1.0000 + O O2274 1.0 0.13773 0.32986 0.31968 1.0000 + O O2275 1.0 0.17940 0.37153 0.31968 1.0000 + O O2276 1.0 0.22106 0.41319 0.31968 1.0000 + O O2277 1.0 0.26273 0.45486 0.31968 1.0000 + O O2278 1.0 0.30440 0.49653 0.31968 1.0000 + O O2279 1.0 0.34606 0.53819 0.31968 1.0000 + O O2280 1.0 0.38773 0.57986 0.31968 1.0000 + O O2281 1.0 0.97106 0.07986 0.31968 1.0000 + O O2282 1.0 0.01273 0.12153 0.31968 1.0000 + O O2283 1.0 0.05440 0.16319 0.31968 1.0000 + O O2284 1.0 0.09606 0.20486 0.31968 1.0000 + O O2285 1.0 0.13773 0.24653 0.31968 1.0000 + O O2286 1.0 0.17940 0.28819 0.31968 1.0000 + O O2287 1.0 0.22106 0.32986 0.31968 1.0000 + O O2288 1.0 0.26273 0.37153 0.31968 1.0000 + O O2289 1.0 0.30440 0.41319 0.31968 1.0000 + O O2290 1.0 0.34606 0.45486 0.31968 1.0000 + O O2291 1.0 0.38773 0.49653 0.31968 1.0000 + O O2292 1.0 0.42940 0.53819 0.31968 1.0000 + O O2293 1.0 0.01273 0.03819 0.31968 1.0000 + O O2294 1.0 0.05440 0.07986 0.31968 1.0000 + O O2295 1.0 0.09606 0.12153 0.31968 1.0000 + O O2296 1.0 0.13773 0.16319 0.31968 1.0000 + O O2297 1.0 0.17940 0.20486 0.31968 1.0000 + O O2298 1.0 0.22106 0.24653 0.31968 1.0000 + O O2299 1.0 0.26273 0.28819 0.31968 1.0000 + O O2300 1.0 0.30440 0.32986 0.31968 1.0000 + O O2301 1.0 0.34606 0.37153 0.31968 1.0000 + O O2302 1.0 0.38773 0.41319 0.31968 1.0000 + O O2303 1.0 0.42940 0.45486 0.31968 1.0000 + O O2304 1.0 0.47106 0.49653 0.31968 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4590_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4590_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..058128c01024cf4c2203ff5c1031c89a70f625da --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4590_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Cu256Te256O1024 +_chemical_formula_sum "Cu256 Te256 O1024" +_cell_length_a 47.9636 +_cell_length_b 97.2107 +_cell_length_c 6.53622 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Cu Cu1 1.0 0.00006 0.03653 0.50000 1.0000 + Cu Cu2 1.0 0.00006 0.09903 0.50000 1.0000 + Cu Cu3 1.0 0.00006 0.16153 0.50000 1.0000 + Cu Cu4 1.0 0.00006 0.22403 0.50000 1.0000 + Cu Cu5 1.0 0.00006 0.28653 0.50000 1.0000 + Cu Cu6 1.0 0.00006 0.34903 0.50000 1.0000 + Cu Cu7 1.0 0.00006 0.41153 0.50000 1.0000 + Cu Cu8 1.0 0.00006 0.47403 0.50000 1.0000 + Cu Cu9 1.0 0.00006 0.53653 0.50000 1.0000 + Cu Cu10 1.0 0.00006 0.59903 0.50000 1.0000 + Cu Cu11 1.0 0.00006 0.66153 0.50000 1.0000 + Cu Cu12 1.0 0.00006 0.72403 0.50000 1.0000 + Cu Cu13 1.0 0.00006 0.78653 0.50000 1.0000 + Cu Cu14 1.0 0.00006 0.84903 0.50000 1.0000 + Cu Cu15 1.0 0.00006 0.91153 0.50000 1.0000 + Cu Cu16 1.0 0.00006 0.97403 0.50000 1.0000 + Cu Cu17 1.0 0.06256 0.03653 0.50000 1.0000 + Cu Cu18 1.0 0.06256 0.09903 0.50000 1.0000 + Cu Cu19 1.0 0.06256 0.16153 0.50000 1.0000 + Cu Cu20 1.0 0.06256 0.22403 0.50000 1.0000 + Cu Cu21 1.0 0.06256 0.28653 0.50000 1.0000 + Cu Cu22 1.0 0.06256 0.34903 0.50000 1.0000 + Cu Cu23 1.0 0.06256 0.41153 0.50000 1.0000 + Cu Cu24 1.0 0.06256 0.47403 0.50000 1.0000 + Cu Cu25 1.0 0.06256 0.53653 0.50000 1.0000 + Cu Cu26 1.0 0.06256 0.59903 0.50000 1.0000 + Cu Cu27 1.0 0.06256 0.66153 0.50000 1.0000 + Cu Cu28 1.0 0.06256 0.72403 0.50000 1.0000 + Cu Cu29 1.0 0.06256 0.78653 0.50000 1.0000 + Cu Cu30 1.0 0.06256 0.84903 0.50000 1.0000 + Cu Cu31 1.0 0.06256 0.91153 0.50000 1.0000 + Cu Cu32 1.0 0.06256 0.97403 0.50000 1.0000 + Cu Cu33 1.0 0.12506 0.03653 0.50000 1.0000 + Cu Cu34 1.0 0.12506 0.09903 0.50000 1.0000 + Cu Cu35 1.0 0.12506 0.16153 0.50000 1.0000 + Cu Cu36 1.0 0.12506 0.22403 0.50000 1.0000 + Cu Cu37 1.0 0.12506 0.28653 0.50000 1.0000 + Cu Cu38 1.0 0.12506 0.34903 0.50000 1.0000 + Cu Cu39 1.0 0.12506 0.41153 0.50000 1.0000 + Cu Cu40 1.0 0.12506 0.47403 0.50000 1.0000 + Cu Cu41 1.0 0.12506 0.53653 0.50000 1.0000 + Cu Cu42 1.0 0.12506 0.59903 0.50000 1.0000 + Cu Cu43 1.0 0.12506 0.66153 0.50000 1.0000 + Cu Cu44 1.0 0.12506 0.72403 0.50000 1.0000 + Cu Cu45 1.0 0.12506 0.78653 0.50000 1.0000 + Cu Cu46 1.0 0.12506 0.84903 0.50000 1.0000 + Cu Cu47 1.0 0.12506 0.91153 0.50000 1.0000 + Cu Cu48 1.0 0.12506 0.97403 0.50000 1.0000 + Cu Cu49 1.0 0.18756 0.03653 0.50000 1.0000 + Cu Cu50 1.0 0.18756 0.09903 0.50000 1.0000 + Cu Cu51 1.0 0.18756 0.16153 0.50000 1.0000 + Cu Cu52 1.0 0.18756 0.22403 0.50000 1.0000 + Cu Cu53 1.0 0.18756 0.28653 0.50000 1.0000 + Cu Cu54 1.0 0.18756 0.34903 0.50000 1.0000 + Cu Cu55 1.0 0.18756 0.41153 0.50000 1.0000 + Cu Cu56 1.0 0.18756 0.47403 0.50000 1.0000 + Cu Cu57 1.0 0.18756 0.53653 0.50000 1.0000 + Cu Cu58 1.0 0.18756 0.59903 0.50000 1.0000 + Cu Cu59 1.0 0.18756 0.66153 0.50000 1.0000 + Cu Cu60 1.0 0.18756 0.72403 0.50000 1.0000 + Cu Cu61 1.0 0.18756 0.78653 0.50000 1.0000 + Cu Cu62 1.0 0.18756 0.84903 0.50000 1.0000 + Cu Cu63 1.0 0.18756 0.91153 0.50000 1.0000 + Cu Cu64 1.0 0.18756 0.97403 0.50000 1.0000 + Cu Cu65 1.0 0.25006 0.03653 0.50000 1.0000 + Cu Cu66 1.0 0.25006 0.09903 0.50000 1.0000 + Cu Cu67 1.0 0.25006 0.16153 0.50000 1.0000 + Cu Cu68 1.0 0.25006 0.22403 0.50000 1.0000 + Cu Cu69 1.0 0.25006 0.28653 0.50000 1.0000 + Cu Cu70 1.0 0.25006 0.34903 0.50000 1.0000 + Cu Cu71 1.0 0.25006 0.41153 0.50000 1.0000 + Cu Cu72 1.0 0.25006 0.47403 0.50000 1.0000 + Cu Cu73 1.0 0.25006 0.53653 0.50000 1.0000 + Cu Cu74 1.0 0.25006 0.59903 0.50000 1.0000 + Cu Cu75 1.0 0.25006 0.66153 0.50000 1.0000 + Cu Cu76 1.0 0.25006 0.72403 0.50000 1.0000 + Cu Cu77 1.0 0.25006 0.78653 0.50000 1.0000 + Cu Cu78 1.0 0.25006 0.84903 0.50000 1.0000 + Cu Cu79 1.0 0.25006 0.91153 0.50000 1.0000 + Cu Cu80 1.0 0.25006 0.97403 0.50000 1.0000 + Cu Cu81 1.0 0.31256 0.03653 0.50000 1.0000 + Cu Cu82 1.0 0.31256 0.09903 0.50000 1.0000 + Cu Cu83 1.0 0.31256 0.16153 0.50000 1.0000 + Cu Cu84 1.0 0.31256 0.22403 0.50000 1.0000 + Cu Cu85 1.0 0.31256 0.28653 0.50000 1.0000 + Cu Cu86 1.0 0.31256 0.34903 0.50000 1.0000 + Cu Cu87 1.0 0.31256 0.41153 0.50000 1.0000 + Cu Cu88 1.0 0.31256 0.47403 0.50000 1.0000 + Cu Cu89 1.0 0.31256 0.53653 0.50000 1.0000 + Cu Cu90 1.0 0.31256 0.59903 0.50000 1.0000 + Cu Cu91 1.0 0.31256 0.66153 0.50000 1.0000 + Cu Cu92 1.0 0.31256 0.72403 0.50000 1.0000 + Cu Cu93 1.0 0.31256 0.78653 0.50000 1.0000 + Cu Cu94 1.0 0.31256 0.84903 0.50000 1.0000 + Cu Cu95 1.0 0.31256 0.91153 0.50000 1.0000 + Cu Cu96 1.0 0.31256 0.97403 0.50000 1.0000 + Cu Cu97 1.0 0.37506 0.03653 0.50000 1.0000 + Cu Cu98 1.0 0.37506 0.09903 0.50000 1.0000 + Cu Cu99 1.0 0.37506 0.16153 0.50000 1.0000 + Cu Cu100 1.0 0.37506 0.22403 0.50000 1.0000 + Cu Cu101 1.0 0.37506 0.28653 0.50000 1.0000 + Cu Cu102 1.0 0.37506 0.34903 0.50000 1.0000 + Cu Cu103 1.0 0.37506 0.41153 0.50000 1.0000 + Cu Cu104 1.0 0.37506 0.47403 0.50000 1.0000 + Cu Cu105 1.0 0.37506 0.53653 0.50000 1.0000 + Cu Cu106 1.0 0.37506 0.59903 0.50000 1.0000 + Cu Cu107 1.0 0.37506 0.66153 0.50000 1.0000 + Cu Cu108 1.0 0.37506 0.72403 0.50000 1.0000 + Cu Cu109 1.0 0.37506 0.78653 0.50000 1.0000 + Cu Cu110 1.0 0.37506 0.84903 0.50000 1.0000 + Cu Cu111 1.0 0.37506 0.91153 0.50000 1.0000 + Cu Cu112 1.0 0.37506 0.97403 0.50000 1.0000 + Cu Cu113 1.0 0.43756 0.03653 0.50000 1.0000 + Cu Cu114 1.0 0.43756 0.09903 0.50000 1.0000 + Cu Cu115 1.0 0.43756 0.16153 0.50000 1.0000 + Cu Cu116 1.0 0.43756 0.22403 0.50000 1.0000 + Cu Cu117 1.0 0.43756 0.28653 0.50000 1.0000 + Cu Cu118 1.0 0.43756 0.34903 0.50000 1.0000 + Cu Cu119 1.0 0.43756 0.41153 0.50000 1.0000 + Cu Cu120 1.0 0.43756 0.47403 0.50000 1.0000 + Cu Cu121 1.0 0.43756 0.53653 0.50000 1.0000 + Cu Cu122 1.0 0.43756 0.59903 0.50000 1.0000 + Cu Cu123 1.0 0.43756 0.66153 0.50000 1.0000 + Cu Cu124 1.0 0.43756 0.72403 0.50000 1.0000 + Cu Cu125 1.0 0.43756 0.78653 0.50000 1.0000 + Cu Cu126 1.0 0.43756 0.84903 0.50000 1.0000 + Cu Cu127 1.0 0.43756 0.91153 0.50000 1.0000 + Cu Cu128 1.0 0.43756 0.97403 0.50000 1.0000 + Cu Cu129 1.0 0.50006 0.03653 0.50000 1.0000 + Cu Cu130 1.0 0.50006 0.09903 0.50000 1.0000 + Cu Cu131 1.0 0.50006 0.16153 0.50000 1.0000 + Cu Cu132 1.0 0.50006 0.22403 0.50000 1.0000 + Cu Cu133 1.0 0.50006 0.28653 0.50000 1.0000 + Cu Cu134 1.0 0.50006 0.34903 0.50000 1.0000 + Cu Cu135 1.0 0.50006 0.41153 0.50000 1.0000 + Cu Cu136 1.0 0.50006 0.47403 0.50000 1.0000 + Cu Cu137 1.0 0.50006 0.53653 0.50000 1.0000 + Cu Cu138 1.0 0.50006 0.59903 0.50000 1.0000 + Cu Cu139 1.0 0.50006 0.66153 0.50000 1.0000 + Cu Cu140 1.0 0.50006 0.72403 0.50000 1.0000 + Cu Cu141 1.0 0.50006 0.78653 0.50000 1.0000 + Cu Cu142 1.0 0.50006 0.84903 0.50000 1.0000 + Cu Cu143 1.0 0.50006 0.91153 0.50000 1.0000 + Cu Cu144 1.0 0.50006 0.97403 0.50000 1.0000 + Cu Cu145 1.0 0.56256 0.03653 0.50000 1.0000 + Cu Cu146 1.0 0.56256 0.09903 0.50000 1.0000 + Cu Cu147 1.0 0.56256 0.16153 0.50000 1.0000 + Cu Cu148 1.0 0.56256 0.22403 0.50000 1.0000 + Cu Cu149 1.0 0.56256 0.28653 0.50000 1.0000 + Cu Cu150 1.0 0.56256 0.34903 0.50000 1.0000 + Cu Cu151 1.0 0.56256 0.41153 0.50000 1.0000 + Cu Cu152 1.0 0.56256 0.47403 0.50000 1.0000 + Cu Cu153 1.0 0.56256 0.53653 0.50000 1.0000 + Cu Cu154 1.0 0.56256 0.59903 0.50000 1.0000 + Cu Cu155 1.0 0.56256 0.66153 0.50000 1.0000 + Cu Cu156 1.0 0.56256 0.72403 0.50000 1.0000 + Cu Cu157 1.0 0.56256 0.78653 0.50000 1.0000 + Cu Cu158 1.0 0.56256 0.84903 0.50000 1.0000 + Cu Cu159 1.0 0.56256 0.91153 0.50000 1.0000 + Cu Cu160 1.0 0.56256 0.97403 0.50000 1.0000 + Cu Cu161 1.0 0.62506 0.03653 0.50000 1.0000 + Cu Cu162 1.0 0.62506 0.09903 0.50000 1.0000 + Cu Cu163 1.0 0.62506 0.16153 0.50000 1.0000 + Cu Cu164 1.0 0.62506 0.22403 0.50000 1.0000 + Cu Cu165 1.0 0.62506 0.28653 0.50000 1.0000 + Cu Cu166 1.0 0.62506 0.34903 0.50000 1.0000 + Cu Cu167 1.0 0.62506 0.41153 0.50000 1.0000 + Cu Cu168 1.0 0.62506 0.47403 0.50000 1.0000 + Cu Cu169 1.0 0.62506 0.53653 0.50000 1.0000 + Cu Cu170 1.0 0.62506 0.59903 0.50000 1.0000 + Cu Cu171 1.0 0.62506 0.66153 0.50000 1.0000 + Cu Cu172 1.0 0.62506 0.72403 0.50000 1.0000 + Cu Cu173 1.0 0.62506 0.78653 0.50000 1.0000 + Cu Cu174 1.0 0.62506 0.84903 0.50000 1.0000 + Cu Cu175 1.0 0.62506 0.91153 0.50000 1.0000 + Cu Cu176 1.0 0.62506 0.97403 0.50000 1.0000 + Cu Cu177 1.0 0.68756 0.03653 0.50000 1.0000 + Cu Cu178 1.0 0.68756 0.09903 0.50000 1.0000 + Cu Cu179 1.0 0.68756 0.16153 0.50000 1.0000 + Cu Cu180 1.0 0.68756 0.22403 0.50000 1.0000 + Cu Cu181 1.0 0.68756 0.28653 0.50000 1.0000 + Cu Cu182 1.0 0.68756 0.34903 0.50000 1.0000 + Cu Cu183 1.0 0.68756 0.41153 0.50000 1.0000 + Cu Cu184 1.0 0.68756 0.47403 0.50000 1.0000 + Cu Cu185 1.0 0.68756 0.53653 0.50000 1.0000 + Cu Cu186 1.0 0.68756 0.59903 0.50000 1.0000 + Cu Cu187 1.0 0.68756 0.66153 0.50000 1.0000 + Cu Cu188 1.0 0.68756 0.72403 0.50000 1.0000 + Cu Cu189 1.0 0.68756 0.78653 0.50000 1.0000 + Cu Cu190 1.0 0.68756 0.84903 0.50000 1.0000 + Cu Cu191 1.0 0.68756 0.91153 0.50000 1.0000 + Cu Cu192 1.0 0.68756 0.97403 0.50000 1.0000 + Cu Cu193 1.0 0.75006 0.03653 0.50000 1.0000 + Cu Cu194 1.0 0.75006 0.09903 0.50000 1.0000 + Cu Cu195 1.0 0.75006 0.16153 0.50000 1.0000 + Cu Cu196 1.0 0.75006 0.22403 0.50000 1.0000 + Cu Cu197 1.0 0.75006 0.28653 0.50000 1.0000 + Cu Cu198 1.0 0.75006 0.34903 0.50000 1.0000 + Cu Cu199 1.0 0.75006 0.41153 0.50000 1.0000 + Cu Cu200 1.0 0.75006 0.47403 0.50000 1.0000 + Cu Cu201 1.0 0.75006 0.53653 0.50000 1.0000 + Cu Cu202 1.0 0.75006 0.59903 0.50000 1.0000 + Cu Cu203 1.0 0.75006 0.66153 0.50000 1.0000 + Cu Cu204 1.0 0.75006 0.72403 0.50000 1.0000 + Cu Cu205 1.0 0.75006 0.78653 0.50000 1.0000 + Cu Cu206 1.0 0.75006 0.84903 0.50000 1.0000 + Cu Cu207 1.0 0.75006 0.91153 0.50000 1.0000 + Cu Cu208 1.0 0.75006 0.97403 0.50000 1.0000 + Cu Cu209 1.0 0.81256 0.03653 0.50000 1.0000 + Cu Cu210 1.0 0.81256 0.09903 0.50000 1.0000 + Cu Cu211 1.0 0.81256 0.16153 0.50000 1.0000 + Cu Cu212 1.0 0.81256 0.22403 0.50000 1.0000 + Cu Cu213 1.0 0.81256 0.28653 0.50000 1.0000 + Cu Cu214 1.0 0.81256 0.34903 0.50000 1.0000 + Cu Cu215 1.0 0.81256 0.41153 0.50000 1.0000 + Cu Cu216 1.0 0.81256 0.47403 0.50000 1.0000 + Cu Cu217 1.0 0.81256 0.53653 0.50000 1.0000 + Cu Cu218 1.0 0.81256 0.59903 0.50000 1.0000 + Cu Cu219 1.0 0.81256 0.66153 0.50000 1.0000 + Cu Cu220 1.0 0.81256 0.72403 0.50000 1.0000 + Cu Cu221 1.0 0.81256 0.78653 0.50000 1.0000 + Cu Cu222 1.0 0.81256 0.84903 0.50000 1.0000 + Cu Cu223 1.0 0.81256 0.91153 0.50000 1.0000 + Cu Cu224 1.0 0.81256 0.97403 0.50000 1.0000 + Cu Cu225 1.0 0.87506 0.03653 0.50000 1.0000 + Cu Cu226 1.0 0.87506 0.09903 0.50000 1.0000 + Cu Cu227 1.0 0.87506 0.16153 0.50000 1.0000 + Cu Cu228 1.0 0.87506 0.22403 0.50000 1.0000 + Cu Cu229 1.0 0.87506 0.28653 0.50000 1.0000 + Cu Cu230 1.0 0.87506 0.34903 0.50000 1.0000 + Cu Cu231 1.0 0.87506 0.41153 0.50000 1.0000 + Cu Cu232 1.0 0.87506 0.47403 0.50000 1.0000 + Cu Cu233 1.0 0.87506 0.53653 0.50000 1.0000 + Cu Cu234 1.0 0.87506 0.59903 0.50000 1.0000 + Cu Cu235 1.0 0.87506 0.66153 0.50000 1.0000 + Cu Cu236 1.0 0.87506 0.72403 0.50000 1.0000 + Cu Cu237 1.0 0.87506 0.78653 0.50000 1.0000 + Cu Cu238 1.0 0.87506 0.84903 0.50000 1.0000 + Cu Cu239 1.0 0.87506 0.91153 0.50000 1.0000 + Cu Cu240 1.0 0.87506 0.97403 0.50000 1.0000 + Cu Cu241 1.0 0.93756 0.03653 0.50000 1.0000 + Cu Cu242 1.0 0.93756 0.09903 0.50000 1.0000 + Cu Cu243 1.0 0.93756 0.16153 0.50000 1.0000 + Cu Cu244 1.0 0.93756 0.22403 0.50000 1.0000 + Cu Cu245 1.0 0.93756 0.28653 0.50000 1.0000 + Cu Cu246 1.0 0.93756 0.34903 0.50000 1.0000 + Cu Cu247 1.0 0.93756 0.41153 0.50000 1.0000 + Cu Cu248 1.0 0.93756 0.47403 0.50000 1.0000 + Cu Cu249 1.0 0.93756 0.53653 0.50000 1.0000 + Cu Cu250 1.0 0.93756 0.59903 0.50000 1.0000 + Cu Cu251 1.0 0.93756 0.66153 0.50000 1.0000 + Cu Cu252 1.0 0.93756 0.72403 0.50000 1.0000 + Cu Cu253 1.0 0.93756 0.78653 0.50000 1.0000 + Cu Cu254 1.0 0.93756 0.84903 0.50000 1.0000 + Cu Cu255 1.0 0.93756 0.91153 0.50000 1.0000 + Cu Cu256 1.0 0.93756 0.97403 0.50000 1.0000 + Te Te1 1.0 0.03131 0.00528 0.50000 1.0000 + Te Te2 1.0 0.03131 0.06778 0.50000 1.0000 + Te Te3 1.0 0.03131 0.13028 0.50000 1.0000 + Te Te4 1.0 0.03131 0.19278 0.50000 1.0000 + Te Te5 1.0 0.03131 0.25528 0.50000 1.0000 + Te Te6 1.0 0.03131 0.31778 0.50000 1.0000 + Te Te7 1.0 0.03131 0.38028 0.50000 1.0000 + Te Te8 1.0 0.03131 0.44278 0.50000 1.0000 + Te Te9 1.0 0.03131 0.50528 0.50000 1.0000 + Te Te10 1.0 0.03131 0.56778 0.50000 1.0000 + Te Te11 1.0 0.03131 0.63028 0.50000 1.0000 + Te Te12 1.0 0.03131 0.69278 0.50000 1.0000 + Te Te13 1.0 0.03131 0.75528 0.50000 1.0000 + Te Te14 1.0 0.03131 0.81778 0.50000 1.0000 + Te Te15 1.0 0.03131 0.88028 0.50000 1.0000 + Te Te16 1.0 0.03131 0.94278 0.50000 1.0000 + Te Te17 1.0 0.09381 0.00528 0.50000 1.0000 + Te Te18 1.0 0.09381 0.06778 0.50000 1.0000 + Te Te19 1.0 0.09381 0.13028 0.50000 1.0000 + Te Te20 1.0 0.09381 0.19278 0.50000 1.0000 + Te Te21 1.0 0.09381 0.25528 0.50000 1.0000 + Te Te22 1.0 0.09381 0.31778 0.50000 1.0000 + Te Te23 1.0 0.09381 0.38028 0.50000 1.0000 + Te Te24 1.0 0.09381 0.44278 0.50000 1.0000 + Te Te25 1.0 0.09381 0.50528 0.50000 1.0000 + Te Te26 1.0 0.09381 0.56778 0.50000 1.0000 + Te Te27 1.0 0.09381 0.63028 0.50000 1.0000 + Te Te28 1.0 0.09381 0.69278 0.50000 1.0000 + Te Te29 1.0 0.09381 0.75528 0.50000 1.0000 + Te Te30 1.0 0.09381 0.81778 0.50000 1.0000 + Te Te31 1.0 0.09381 0.88028 0.50000 1.0000 + Te Te32 1.0 0.09381 0.94278 0.50000 1.0000 + Te Te33 1.0 0.15631 0.00528 0.50000 1.0000 + Te Te34 1.0 0.15631 0.06778 0.50000 1.0000 + Te Te35 1.0 0.15631 0.13028 0.50000 1.0000 + Te Te36 1.0 0.15631 0.19278 0.50000 1.0000 + Te Te37 1.0 0.15631 0.25528 0.50000 1.0000 + Te Te38 1.0 0.15631 0.31778 0.50000 1.0000 + Te Te39 1.0 0.15631 0.38028 0.50000 1.0000 + Te Te40 1.0 0.15631 0.44278 0.50000 1.0000 + Te Te41 1.0 0.15631 0.50528 0.50000 1.0000 + Te Te42 1.0 0.15631 0.56778 0.50000 1.0000 + Te Te43 1.0 0.15631 0.63028 0.50000 1.0000 + Te Te44 1.0 0.15631 0.69278 0.50000 1.0000 + Te Te45 1.0 0.15631 0.75528 0.50000 1.0000 + Te Te46 1.0 0.15631 0.81778 0.50000 1.0000 + Te Te47 1.0 0.15631 0.88028 0.50000 1.0000 + Te Te48 1.0 0.15631 0.94278 0.50000 1.0000 + Te Te49 1.0 0.21881 0.00528 0.50000 1.0000 + Te Te50 1.0 0.21881 0.06778 0.50000 1.0000 + Te Te51 1.0 0.21881 0.13028 0.50000 1.0000 + Te Te52 1.0 0.21881 0.19278 0.50000 1.0000 + Te Te53 1.0 0.21881 0.25528 0.50000 1.0000 + Te Te54 1.0 0.21881 0.31778 0.50000 1.0000 + Te Te55 1.0 0.21881 0.38028 0.50000 1.0000 + Te Te56 1.0 0.21881 0.44278 0.50000 1.0000 + Te Te57 1.0 0.21881 0.50528 0.50000 1.0000 + Te Te58 1.0 0.21881 0.56778 0.50000 1.0000 + Te Te59 1.0 0.21881 0.63028 0.50000 1.0000 + Te Te60 1.0 0.21881 0.69278 0.50000 1.0000 + Te Te61 1.0 0.21881 0.75528 0.50000 1.0000 + Te Te62 1.0 0.21881 0.81778 0.50000 1.0000 + Te Te63 1.0 0.21881 0.88028 0.50000 1.0000 + Te Te64 1.0 0.21881 0.94278 0.50000 1.0000 + Te Te65 1.0 0.28131 0.00528 0.50000 1.0000 + Te Te66 1.0 0.28131 0.06778 0.50000 1.0000 + Te Te67 1.0 0.28131 0.13028 0.50000 1.0000 + Te Te68 1.0 0.28131 0.19278 0.50000 1.0000 + Te Te69 1.0 0.28131 0.25528 0.50000 1.0000 + Te Te70 1.0 0.28131 0.31778 0.50000 1.0000 + Te Te71 1.0 0.28131 0.38028 0.50000 1.0000 + Te Te72 1.0 0.28131 0.44278 0.50000 1.0000 + Te Te73 1.0 0.28131 0.50528 0.50000 1.0000 + Te Te74 1.0 0.28131 0.56778 0.50000 1.0000 + Te Te75 1.0 0.28131 0.63028 0.50000 1.0000 + Te Te76 1.0 0.28131 0.69278 0.50000 1.0000 + Te Te77 1.0 0.28131 0.75528 0.50000 1.0000 + Te Te78 1.0 0.28131 0.81778 0.50000 1.0000 + Te Te79 1.0 0.28131 0.88028 0.50000 1.0000 + Te Te80 1.0 0.28131 0.94278 0.50000 1.0000 + Te Te81 1.0 0.34381 0.00528 0.50000 1.0000 + Te Te82 1.0 0.34381 0.06778 0.50000 1.0000 + Te Te83 1.0 0.34381 0.13028 0.50000 1.0000 + Te Te84 1.0 0.34381 0.19278 0.50000 1.0000 + Te Te85 1.0 0.34381 0.25528 0.50000 1.0000 + Te Te86 1.0 0.34381 0.31778 0.50000 1.0000 + Te Te87 1.0 0.34381 0.38028 0.50000 1.0000 + Te Te88 1.0 0.34381 0.44278 0.50000 1.0000 + Te Te89 1.0 0.34381 0.50528 0.50000 1.0000 + Te Te90 1.0 0.34381 0.56778 0.50000 1.0000 + Te Te91 1.0 0.34381 0.63028 0.50000 1.0000 + Te Te92 1.0 0.34381 0.69278 0.50000 1.0000 + Te Te93 1.0 0.34381 0.75528 0.50000 1.0000 + Te Te94 1.0 0.34381 0.81778 0.50000 1.0000 + Te Te95 1.0 0.34381 0.88028 0.50000 1.0000 + Te Te96 1.0 0.34381 0.94278 0.50000 1.0000 + Te Te97 1.0 0.40631 0.00528 0.50000 1.0000 + Te Te98 1.0 0.40631 0.06778 0.50000 1.0000 + Te Te99 1.0 0.40631 0.13028 0.50000 1.0000 + Te Te100 1.0 0.40631 0.19278 0.50000 1.0000 + Te Te101 1.0 0.40631 0.25528 0.50000 1.0000 + Te Te102 1.0 0.40631 0.31778 0.50000 1.0000 + Te Te103 1.0 0.40631 0.38028 0.50000 1.0000 + Te Te104 1.0 0.40631 0.44278 0.50000 1.0000 + Te Te105 1.0 0.40631 0.50528 0.50000 1.0000 + Te Te106 1.0 0.40631 0.56778 0.50000 1.0000 + Te Te107 1.0 0.40631 0.63028 0.50000 1.0000 + Te Te108 1.0 0.40631 0.69278 0.50000 1.0000 + Te Te109 1.0 0.40631 0.75528 0.50000 1.0000 + Te Te110 1.0 0.40631 0.81778 0.50000 1.0000 + Te Te111 1.0 0.40631 0.88028 0.50000 1.0000 + Te Te112 1.0 0.40631 0.94278 0.50000 1.0000 + Te Te113 1.0 0.46881 0.00528 0.50000 1.0000 + Te Te114 1.0 0.46881 0.06778 0.50000 1.0000 + Te Te115 1.0 0.46881 0.13028 0.50000 1.0000 + Te Te116 1.0 0.46881 0.19278 0.50000 1.0000 + Te Te117 1.0 0.46881 0.25528 0.50000 1.0000 + Te Te118 1.0 0.46881 0.31778 0.50000 1.0000 + Te Te119 1.0 0.46881 0.38028 0.50000 1.0000 + Te Te120 1.0 0.46881 0.44278 0.50000 1.0000 + Te Te121 1.0 0.46881 0.50528 0.50000 1.0000 + Te Te122 1.0 0.46881 0.56778 0.50000 1.0000 + Te Te123 1.0 0.46881 0.63028 0.50000 1.0000 + Te Te124 1.0 0.46881 0.69278 0.50000 1.0000 + Te Te125 1.0 0.46881 0.75528 0.50000 1.0000 + Te Te126 1.0 0.46881 0.81778 0.50000 1.0000 + Te Te127 1.0 0.46881 0.88028 0.50000 1.0000 + Te Te128 1.0 0.46881 0.94278 0.50000 1.0000 + Te Te129 1.0 0.53131 0.00528 0.50000 1.0000 + Te Te130 1.0 0.53131 0.06778 0.50000 1.0000 + Te Te131 1.0 0.53131 0.13028 0.50000 1.0000 + Te Te132 1.0 0.53131 0.19278 0.50000 1.0000 + Te Te133 1.0 0.53131 0.25528 0.50000 1.0000 + Te Te134 1.0 0.53131 0.31778 0.50000 1.0000 + Te Te135 1.0 0.53131 0.38028 0.50000 1.0000 + Te Te136 1.0 0.53131 0.44278 0.50000 1.0000 + Te Te137 1.0 0.53131 0.50528 0.50000 1.0000 + Te Te138 1.0 0.53131 0.56778 0.50000 1.0000 + Te Te139 1.0 0.53131 0.63028 0.50000 1.0000 + Te Te140 1.0 0.53131 0.69278 0.50000 1.0000 + Te Te141 1.0 0.53131 0.75528 0.50000 1.0000 + Te Te142 1.0 0.53131 0.81778 0.50000 1.0000 + Te Te143 1.0 0.53131 0.88028 0.50000 1.0000 + Te Te144 1.0 0.53131 0.94278 0.50000 1.0000 + Te Te145 1.0 0.59381 0.00528 0.50000 1.0000 + Te Te146 1.0 0.59381 0.06778 0.50000 1.0000 + Te Te147 1.0 0.59381 0.13028 0.50000 1.0000 + Te Te148 1.0 0.59381 0.19278 0.50000 1.0000 + Te Te149 1.0 0.59381 0.25528 0.50000 1.0000 + Te Te150 1.0 0.59381 0.31778 0.50000 1.0000 + Te Te151 1.0 0.59381 0.38028 0.50000 1.0000 + Te Te152 1.0 0.59381 0.44278 0.50000 1.0000 + Te Te153 1.0 0.59381 0.50528 0.50000 1.0000 + Te Te154 1.0 0.59381 0.56778 0.50000 1.0000 + Te Te155 1.0 0.59381 0.63028 0.50000 1.0000 + Te Te156 1.0 0.59381 0.69278 0.50000 1.0000 + Te Te157 1.0 0.59381 0.75528 0.50000 1.0000 + Te Te158 1.0 0.59381 0.81778 0.50000 1.0000 + Te Te159 1.0 0.59381 0.88028 0.50000 1.0000 + Te Te160 1.0 0.59381 0.94278 0.50000 1.0000 + Te Te161 1.0 0.65631 0.00528 0.50000 1.0000 + Te Te162 1.0 0.65631 0.06778 0.50000 1.0000 + Te Te163 1.0 0.65631 0.13028 0.50000 1.0000 + Te Te164 1.0 0.65631 0.19278 0.50000 1.0000 + Te Te165 1.0 0.65631 0.25528 0.50000 1.0000 + Te Te166 1.0 0.65631 0.31778 0.50000 1.0000 + Te Te167 1.0 0.65631 0.38028 0.50000 1.0000 + Te Te168 1.0 0.65631 0.44278 0.50000 1.0000 + Te Te169 1.0 0.65631 0.50528 0.50000 1.0000 + Te Te170 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1.0 0.53131 0.86093 0.57435 1.0000 + O O911 1.0 0.53131 0.92343 0.57435 1.0000 + O O912 1.0 0.53131 0.98593 0.57435 1.0000 + O O913 1.0 0.59381 0.04843 0.57435 1.0000 + O O914 1.0 0.59381 0.11093 0.57435 1.0000 + O O915 1.0 0.59381 0.17343 0.57435 1.0000 + O O916 1.0 0.59381 0.23593 0.57435 1.0000 + O O917 1.0 0.59381 0.29843 0.57435 1.0000 + O O918 1.0 0.59381 0.36093 0.57435 1.0000 + O O919 1.0 0.59381 0.42343 0.57435 1.0000 + O O920 1.0 0.59381 0.48593 0.57435 1.0000 + O O921 1.0 0.59381 0.54843 0.57435 1.0000 + O O922 1.0 0.59381 0.61093 0.57435 1.0000 + O O923 1.0 0.59381 0.67343 0.57435 1.0000 + O O924 1.0 0.59381 0.73593 0.57435 1.0000 + O O925 1.0 0.59381 0.79843 0.57435 1.0000 + O O926 1.0 0.59381 0.86093 0.57435 1.0000 + O O927 1.0 0.59381 0.92343 0.57435 1.0000 + O O928 1.0 0.59381 0.98593 0.57435 1.0000 + O O929 1.0 0.65631 0.04843 0.57435 1.0000 + O O930 1.0 0.65631 0.11093 0.57435 1.0000 + O O931 1.0 0.65631 0.17343 0.57435 1.0000 + O O932 1.0 0.65631 0.23593 0.57435 1.0000 + O O933 1.0 0.65631 0.29843 0.57435 1.0000 + O O934 1.0 0.65631 0.36093 0.57435 1.0000 + O O935 1.0 0.65631 0.42343 0.57435 1.0000 + O O936 1.0 0.65631 0.48593 0.57435 1.0000 + O O937 1.0 0.65631 0.54843 0.57435 1.0000 + O O938 1.0 0.65631 0.61093 0.57435 1.0000 + O O939 1.0 0.65631 0.67343 0.57435 1.0000 + O O940 1.0 0.65631 0.73593 0.57435 1.0000 + O O941 1.0 0.65631 0.79843 0.57435 1.0000 + O O942 1.0 0.65631 0.86093 0.57435 1.0000 + O O943 1.0 0.65631 0.92343 0.57435 1.0000 + O O944 1.0 0.65631 0.98593 0.57435 1.0000 + O O945 1.0 0.71881 0.04843 0.57435 1.0000 + O O946 1.0 0.71881 0.11093 0.57435 1.0000 + O O947 1.0 0.71881 0.17343 0.57435 1.0000 + O O948 1.0 0.71881 0.23593 0.57435 1.0000 + O O949 1.0 0.71881 0.29843 0.57435 1.0000 + O O950 1.0 0.71881 0.36093 0.57435 1.0000 + O O951 1.0 0.71881 0.42343 0.57435 1.0000 + O O952 1.0 0.71881 0.48593 0.57435 1.0000 + O O953 1.0 0.71881 0.54843 0.57435 1.0000 + O O954 1.0 0.71881 0.61093 0.57435 1.0000 + O O955 1.0 0.71881 0.67343 0.57435 1.0000 + O O956 1.0 0.71881 0.73593 0.57435 1.0000 + O O957 1.0 0.71881 0.79843 0.57435 1.0000 + O O958 1.0 0.71881 0.86093 0.57435 1.0000 + O O959 1.0 0.71881 0.92343 0.57435 1.0000 + O O960 1.0 0.71881 0.98593 0.57435 1.0000 + O O961 1.0 0.78131 0.04843 0.57435 1.0000 + O O962 1.0 0.78131 0.11093 0.57435 1.0000 + O O963 1.0 0.78131 0.17343 0.57435 1.0000 + O O964 1.0 0.78131 0.23593 0.57435 1.0000 + O O965 1.0 0.78131 0.29843 0.57435 1.0000 + O O966 1.0 0.78131 0.36093 0.57435 1.0000 + O O967 1.0 0.78131 0.42343 0.57435 1.0000 + O O968 1.0 0.78131 0.48593 0.57435 1.0000 + O O969 1.0 0.78131 0.54843 0.57435 1.0000 + O O970 1.0 0.78131 0.61093 0.57435 1.0000 + O O971 1.0 0.78131 0.67343 0.57435 1.0000 + O O972 1.0 0.78131 0.73593 0.57435 1.0000 + O O973 1.0 0.78131 0.79843 0.57435 1.0000 + O O974 1.0 0.78131 0.86093 0.57435 1.0000 + O O975 1.0 0.78131 0.92343 0.57435 1.0000 + O O976 1.0 0.78131 0.98593 0.57435 1.0000 + O O977 1.0 0.84381 0.04843 0.57435 1.0000 + O O978 1.0 0.84381 0.11093 0.57435 1.0000 + O O979 1.0 0.84381 0.17343 0.57435 1.0000 + O O980 1.0 0.84381 0.23593 0.57435 1.0000 + O O981 1.0 0.84381 0.29843 0.57435 1.0000 + O O982 1.0 0.84381 0.36093 0.57435 1.0000 + O O983 1.0 0.84381 0.42343 0.57435 1.0000 + O O984 1.0 0.84381 0.48593 0.57435 1.0000 + O O985 1.0 0.84381 0.54843 0.57435 1.0000 + O O986 1.0 0.84381 0.61093 0.57435 1.0000 + O O987 1.0 0.84381 0.67343 0.57435 1.0000 + O O988 1.0 0.84381 0.73593 0.57435 1.0000 + O O989 1.0 0.84381 0.79843 0.57435 1.0000 + O O990 1.0 0.84381 0.86093 0.57435 1.0000 + O O991 1.0 0.84381 0.92343 0.57435 1.0000 + O O992 1.0 0.84381 0.98593 0.57435 1.0000 + O O993 1.0 0.90631 0.04843 0.57435 1.0000 + O O994 1.0 0.90631 0.11093 0.57435 1.0000 + O O995 1.0 0.90631 0.17343 0.57435 1.0000 + O O996 1.0 0.90631 0.23593 0.57435 1.0000 + O O997 1.0 0.90631 0.29843 0.57435 1.0000 + O O998 1.0 0.90631 0.36093 0.57435 1.0000 + O O999 1.0 0.90631 0.42343 0.57435 1.0000 + O O1000 1.0 0.90631 0.48593 0.57435 1.0000 + O O1001 1.0 0.90631 0.54843 0.57435 1.0000 + O O1002 1.0 0.90631 0.61093 0.57435 1.0000 + O O1003 1.0 0.90631 0.67343 0.57435 1.0000 + O O1004 1.0 0.90631 0.73593 0.57435 1.0000 + O O1005 1.0 0.90631 0.79843 0.57435 1.0000 + O O1006 1.0 0.90631 0.86093 0.57435 1.0000 + O O1007 1.0 0.90631 0.92343 0.57435 1.0000 + O O1008 1.0 0.90631 0.98593 0.57435 1.0000 + O O1009 1.0 0.96881 0.04843 0.57435 1.0000 + O O1010 1.0 0.96881 0.11093 0.57435 1.0000 + O O1011 1.0 0.96881 0.17343 0.57435 1.0000 + O O1012 1.0 0.96881 0.23593 0.57435 1.0000 + O O1013 1.0 0.96881 0.29843 0.57435 1.0000 + O O1014 1.0 0.96881 0.36093 0.57435 1.0000 + O O1015 1.0 0.96881 0.42343 0.57435 1.0000 + O O1016 1.0 0.96881 0.48593 0.57435 1.0000 + O O1017 1.0 0.96881 0.54843 0.57435 1.0000 + O O1018 1.0 0.96881 0.61093 0.57435 1.0000 + O O1019 1.0 0.96881 0.67343 0.57435 1.0000 + O O1020 1.0 0.96881 0.73593 0.57435 1.0000 + O O1021 1.0 0.96881 0.79843 0.57435 1.0000 + O O1022 1.0 0.96881 0.86093 0.57435 1.0000 + O O1023 1.0 0.96881 0.92343 0.57435 1.0000 + O O1024 1.0 0.96881 0.98593 0.57435 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4602_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4602_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..c9c6cc0ddde02b466f0c8daac48f40fb6a44682b --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4602_supercell_12x12x1.cif @@ -0,0 +1,2617 @@ +data_image0 +_chemical_formula_structural Cr144Co288O864Cr144Co288O864 +_chemical_formula_sum "Cr288 Co576 O1728" +_cell_length_a 102.531 +_cell_length_b 59.9758 +_cell_length_c 5.92494 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Cr Cr1 1.0 0.00000 0.00000 0.50000 1.0000 + Cr Cr2 1.0 0.45833 0.54167 0.50000 1.0000 + Cr Cr3 1.0 0.41667 0.58333 0.50000 1.0000 + Cr Cr4 1.0 0.37500 0.62500 0.50000 1.0000 + Cr Cr5 1.0 0.33333 0.66667 0.50000 1.0000 + Cr Cr6 1.0 0.29167 0.70833 0.50000 1.0000 + Cr Cr7 1.0 0.25000 0.75000 0.50000 1.0000 + Cr Cr8 1.0 0.70833 0.29167 0.50000 1.0000 + Cr Cr9 1.0 0.16667 0.83333 0.50000 1.0000 + Cr Cr10 1.0 0.12500 0.87500 0.50000 1.0000 + Cr Cr11 1.0 0.08333 0.91667 0.50000 1.0000 + Cr Cr12 1.0 0.04167 0.95833 0.50000 1.0000 + Cr Cr13 1.0 0.04167 0.04167 0.50000 1.0000 + Cr Cr14 1.0 0.00000 0.08333 0.50000 1.0000 + Cr Cr15 1.0 0.95833 0.12500 0.50000 1.0000 + Cr Cr16 1.0 0.91667 0.16667 0.50000 1.0000 + Cr Cr17 1.0 0.87500 0.20833 0.50000 1.0000 + Cr Cr18 1.0 0.83333 0.25000 0.50000 1.0000 + Cr Cr19 1.0 0.79167 0.29167 0.50000 1.0000 + Cr Cr20 1.0 0.75000 0.33333 0.50000 1.0000 + Cr Cr21 1.0 0.70833 0.37500 0.50000 1.0000 + Cr Cr22 1.0 0.66667 0.41667 0.50000 1.0000 + Cr Cr23 1.0 0.62500 0.45833 0.50000 1.0000 + Cr Cr24 1.0 0.58333 0.50000 0.50000 1.0000 + Cr Cr25 1.0 0.08333 0.08333 0.50000 1.0000 + Cr Cr26 1.0 0.04167 0.12500 0.50000 1.0000 + Cr Cr27 1.0 0.00000 0.16667 0.50000 1.0000 + Cr Cr28 1.0 0.95833 0.20833 0.50000 1.0000 + Cr Cr29 1.0 0.91667 0.25000 0.50000 1.0000 + Cr Cr30 1.0 0.87500 0.29167 0.50000 1.0000 + Cr Cr31 1.0 0.83333 0.33333 0.50000 1.0000 + Cr Cr32 1.0 0.79167 0.37500 0.50000 1.0000 + Cr Cr33 1.0 0.75000 0.41667 0.50000 1.0000 + Cr Cr34 1.0 0.70833 0.45833 0.50000 1.0000 + Cr Cr35 1.0 0.66667 0.50000 0.50000 1.0000 + Cr Cr36 1.0 0.62500 0.54167 0.50000 1.0000 + Cr Cr37 1.0 0.12500 0.12500 0.50000 1.0000 + Cr Cr38 1.0 0.08333 0.16667 0.50000 1.0000 + Cr Cr39 1.0 0.04167 0.20833 0.50000 1.0000 + Cr Cr40 1.0 0.00000 0.25000 0.50000 1.0000 + Cr Cr41 1.0 0.95833 0.29167 0.50000 1.0000 + Cr Cr42 1.0 0.91667 0.33333 0.50000 1.0000 + Cr Cr43 1.0 0.87500 0.37500 0.50000 1.0000 + Cr Cr44 1.0 0.83333 0.41667 0.50000 1.0000 + Cr Cr45 1.0 0.79167 0.45833 0.50000 1.0000 + Cr Cr46 1.0 0.75000 0.50000 0.50000 1.0000 + Cr Cr47 1.0 0.70833 0.54167 0.50000 1.0000 + Cr Cr48 1.0 0.66667 0.58333 0.50000 1.0000 + Cr Cr49 1.0 0.16667 0.16667 0.50000 1.0000 + Cr Cr50 1.0 0.12500 0.20833 0.50000 1.0000 + Cr Cr51 1.0 0.08333 0.25000 0.50000 1.0000 + Cr Cr52 1.0 0.04167 0.29167 0.50000 1.0000 + Cr Cr53 1.0 0.00000 0.33333 0.50000 1.0000 + Cr Cr54 1.0 0.95833 0.37500 0.50000 1.0000 + Cr Cr55 1.0 0.91667 0.41667 0.50000 1.0000 + Cr Cr56 1.0 0.87500 0.45833 0.50000 1.0000 + Cr Cr57 1.0 0.83333 0.50000 0.50000 1.0000 + Cr Cr58 1.0 0.79167 0.54167 0.50000 1.0000 + Cr Cr59 1.0 0.75000 0.58333 0.50000 1.0000 + Cr Cr60 1.0 0.70833 0.62500 0.50000 1.0000 + Cr Cr61 1.0 0.20833 0.20833 0.50000 1.0000 + Cr Cr62 1.0 0.16667 0.25000 0.50000 1.0000 + Cr Cr63 1.0 0.12500 0.29167 0.50000 1.0000 + Cr Cr64 1.0 0.08333 0.33333 0.50000 1.0000 + Cr Cr65 1.0 0.04167 0.37500 0.50000 1.0000 + Cr Cr66 1.0 0.00000 0.41667 0.50000 1.0000 + Cr Cr67 1.0 0.95833 0.45833 0.50000 1.0000 + Cr Cr68 1.0 0.91667 0.50000 0.50000 1.0000 + Cr Cr69 1.0 0.87500 0.54167 0.50000 1.0000 + Cr Cr70 1.0 0.83333 0.58333 0.50000 1.0000 + Cr Cr71 1.0 0.79167 0.62500 0.50000 1.0000 + Cr Cr72 1.0 0.75000 0.66667 0.50000 1.0000 + Cr Cr73 1.0 0.25000 0.25000 0.50000 1.0000 + Cr Cr74 1.0 0.20833 0.29167 0.50000 1.0000 + Cr Cr75 1.0 0.16667 0.33333 0.50000 1.0000 + Cr Cr76 1.0 0.12500 0.37500 0.50000 1.0000 + Cr Cr77 1.0 0.08333 0.41667 0.50000 1.0000 + Cr Cr78 1.0 0.04167 0.45833 0.50000 1.0000 + Cr Cr79 1.0 0.00000 0.50000 0.50000 1.0000 + Cr Cr80 1.0 0.95833 0.54167 0.50000 1.0000 + Cr Cr81 1.0 0.91667 0.58333 0.50000 1.0000 + Cr Cr82 1.0 0.87500 0.62500 0.50000 1.0000 + Cr Cr83 1.0 0.83333 0.66667 0.50000 1.0000 + Cr Cr84 1.0 0.79167 0.70833 0.50000 1.0000 + Cr Cr85 1.0 0.29167 0.29167 0.50000 1.0000 + Cr Cr86 1.0 0.25000 0.33333 0.50000 1.0000 + Cr Cr87 1.0 0.20833 0.37500 0.50000 1.0000 + Cr Cr88 1.0 0.16667 0.41667 0.50000 1.0000 + Cr Cr89 1.0 0.12500 0.45833 0.50000 1.0000 + Cr Cr90 1.0 0.08333 0.50000 0.50000 1.0000 + Cr Cr91 1.0 0.04167 0.54167 0.50000 1.0000 + Cr Cr92 1.0 0.00000 0.58333 0.50000 1.0000 + Cr Cr93 1.0 0.95833 0.62500 0.50000 1.0000 + Cr Cr94 1.0 0.91667 0.66667 0.50000 1.0000 + Cr Cr95 1.0 0.87500 0.70833 0.50000 1.0000 + Cr Cr96 1.0 0.83333 0.75000 0.50000 1.0000 + Cr Cr97 1.0 0.33333 0.33333 0.50000 1.0000 + Cr Cr98 1.0 0.29167 0.37500 0.50000 1.0000 + Cr Cr99 1.0 0.25000 0.41667 0.50000 1.0000 + Cr Cr100 1.0 0.20833 0.45833 0.50000 1.0000 + Cr Cr101 1.0 0.16667 0.50000 0.50000 1.0000 + Cr Cr102 1.0 0.12500 0.54167 0.50000 1.0000 + Cr Cr103 1.0 0.08333 0.58333 0.50000 1.0000 + Cr Cr104 1.0 0.04167 0.62500 0.50000 1.0000 + Cr Cr105 1.0 1.00000 0.66667 0.50000 1.0000 + Cr Cr106 1.0 0.95833 0.70833 0.50000 1.0000 + Cr Cr107 1.0 0.91667 0.75000 0.50000 1.0000 + Cr Cr108 1.0 0.87500 0.79167 0.50000 1.0000 + Cr Cr109 1.0 0.37500 0.37500 0.50000 1.0000 + Cr Cr110 1.0 0.33333 0.41667 0.50000 1.0000 + Cr Cr111 1.0 0.29167 0.45833 0.50000 1.0000 + Cr Cr112 1.0 0.25000 0.50000 0.50000 1.0000 + Cr Cr113 1.0 0.20833 0.54167 0.50000 1.0000 + Cr Cr114 1.0 0.16667 0.58333 0.50000 1.0000 + Cr Cr115 1.0 0.12500 0.62500 0.50000 1.0000 + Cr Cr116 1.0 0.08333 0.66667 0.50000 1.0000 + Cr Cr117 1.0 0.04167 0.70833 0.50000 1.0000 + Cr Cr118 1.0 0.00000 0.75000 0.50000 1.0000 + Cr Cr119 1.0 0.95833 0.79167 0.50000 1.0000 + Cr Cr120 1.0 0.91667 0.83333 0.50000 1.0000 + Cr Cr121 1.0 0.41667 0.41667 0.50000 1.0000 + Cr Cr122 1.0 0.37500 0.45833 0.50000 1.0000 + Cr Cr123 1.0 0.33333 0.50000 0.50000 1.0000 + Cr Cr124 1.0 0.29167 0.54167 0.50000 1.0000 + Cr Cr125 1.0 0.25000 0.58333 0.50000 1.0000 + Cr Cr126 1.0 0.20833 0.62500 0.50000 1.0000 + Cr Cr127 1.0 0.16667 0.66667 0.50000 1.0000 + Cr Cr128 1.0 0.12500 0.70833 0.50000 1.0000 + Cr Cr129 1.0 0.08333 0.75000 0.50000 1.0000 + Cr Cr130 1.0 0.04167 0.79167 0.50000 1.0000 + Cr Cr131 1.0 1.00000 0.83333 0.50000 1.0000 + Cr Cr132 1.0 0.95833 0.87500 0.50000 1.0000 + Cr Cr133 1.0 0.45833 0.45833 0.50000 1.0000 + Cr Cr134 1.0 0.41667 0.50000 0.50000 1.0000 + Cr Cr135 1.0 0.37500 0.54167 0.50000 1.0000 + Cr Cr136 1.0 0.33333 0.58333 0.50000 1.0000 + Cr Cr137 1.0 0.29167 0.62500 0.50000 1.0000 + Cr Cr138 1.0 0.25000 0.66667 0.50000 1.0000 + Cr Cr139 1.0 0.20833 0.70833 0.50000 1.0000 + Cr Cr140 1.0 0.16667 0.75000 0.50000 1.0000 + Cr Cr141 1.0 0.12500 0.79167 0.50000 1.0000 + Cr Cr142 1.0 0.08333 0.83333 0.50000 1.0000 + Cr Cr143 1.0 0.04167 0.87500 0.50000 1.0000 + Cr Cr144 1.0 0.00000 0.91667 0.50000 1.0000 + Co Co1 1.0 0.98617 0.04167 0.50000 1.0000 + Co Co2 1.0 0.94450 0.08333 0.50000 1.0000 + Co Co3 1.0 0.90284 0.12500 0.50000 1.0000 + Co Co4 1.0 0.86117 0.16667 0.50000 1.0000 + Co Co5 1.0 0.81950 0.20833 0.50000 1.0000 + Co Co6 1.0 0.77784 0.25000 0.50000 1.0000 + Co Co7 1.0 0.73617 0.29167 0.50000 1.0000 + Co Co8 1.0 0.69450 0.33333 0.50000 1.0000 + Co Co9 1.0 0.65284 0.37500 0.50000 1.0000 + Co Co10 1.0 0.61117 0.41667 0.50000 1.0000 + Co Co11 1.0 0.56950 0.45833 0.50000 1.0000 + Co Co12 1.0 0.52784 0.50000 0.50000 1.0000 + Co Co13 1.0 0.02784 0.08333 0.50000 1.0000 + Co Co14 1.0 0.98617 0.12500 0.50000 1.0000 + Co Co15 1.0 0.94450 0.16667 0.50000 1.0000 + Co Co16 1.0 0.90284 0.20833 0.50000 1.0000 + Co Co17 1.0 0.86117 0.25000 0.50000 1.0000 + Co Co18 1.0 0.81950 0.29167 0.50000 1.0000 + Co Co19 1.0 0.77784 0.33333 0.50000 1.0000 + Co Co20 1.0 0.73617 0.37500 0.50000 1.0000 + Co Co21 1.0 0.69450 0.41667 0.50000 1.0000 + Co Co22 1.0 0.65284 0.45833 0.50000 1.0000 + Co Co23 1.0 0.61117 0.50000 0.50000 1.0000 + Co Co24 1.0 0.56950 0.54167 0.50000 1.0000 + Co Co25 1.0 0.06950 0.12500 0.50000 1.0000 + Co Co26 1.0 0.02784 0.16667 0.50000 1.0000 + Co Co27 1.0 0.98617 0.20833 0.50000 1.0000 + Co Co28 1.0 0.94450 0.25000 0.50000 1.0000 + Co Co29 1.0 0.90284 0.29167 0.50000 1.0000 + Co Co30 1.0 0.86117 0.33333 0.50000 1.0000 + Co Co31 1.0 0.81950 0.37500 0.50000 1.0000 + Co Co32 1.0 0.77784 0.41667 0.50000 1.0000 + Co Co33 1.0 0.73617 0.45833 0.50000 1.0000 + Co Co34 1.0 0.69450 0.50000 0.50000 1.0000 + Co Co35 1.0 0.65284 0.54167 0.50000 1.0000 + Co Co36 1.0 0.61117 0.58333 0.50000 1.0000 + Co Co37 1.0 0.11117 0.16667 0.50000 1.0000 + Co Co38 1.0 0.06950 0.20833 0.50000 1.0000 + Co Co39 1.0 0.02784 0.25000 0.50000 1.0000 + Co Co40 1.0 0.98617 0.29167 0.50000 1.0000 + Co Co41 1.0 0.94450 0.33333 0.50000 1.0000 + Co Co42 1.0 0.90284 0.37500 0.50000 1.0000 + Co Co43 1.0 0.86117 0.41667 0.50000 1.0000 + Co Co44 1.0 0.81950 0.45833 0.50000 1.0000 + Co Co45 1.0 0.77784 0.50000 0.50000 1.0000 + Co Co46 1.0 0.73617 0.54167 0.50000 1.0000 + Co Co47 1.0 0.69450 0.58333 0.50000 1.0000 + Co Co48 1.0 0.65284 0.62500 0.50000 1.0000 + Co Co49 1.0 0.15284 0.20833 0.50000 1.0000 + Co Co50 1.0 0.11117 0.25000 0.50000 1.0000 + Co Co51 1.0 0.06950 0.29167 0.50000 1.0000 + Co Co52 1.0 0.02784 0.33333 0.50000 1.0000 + Co Co53 1.0 0.98617 0.37500 0.50000 1.0000 + Co Co54 1.0 0.94450 0.41667 0.50000 1.0000 + Co Co55 1.0 0.90284 0.45833 0.50000 1.0000 + Co Co56 1.0 0.86117 0.50000 0.50000 1.0000 + Co Co57 1.0 0.81950 0.54167 0.50000 1.0000 + Co Co58 1.0 0.77784 0.58333 0.50000 1.0000 + Co Co59 1.0 0.73617 0.62500 0.50000 1.0000 + Co Co60 1.0 0.69450 0.66667 0.50000 1.0000 + Co Co61 1.0 0.19450 0.25000 0.50000 1.0000 + Co Co62 1.0 0.15284 0.29167 0.50000 1.0000 + Co Co63 1.0 0.11117 0.33333 0.50000 1.0000 + Co Co64 1.0 0.06950 0.37500 0.50000 1.0000 + Co Co65 1.0 0.02784 0.41667 0.50000 1.0000 + Co Co66 1.0 0.98617 0.45833 0.50000 1.0000 + Co Co67 1.0 0.94450 0.50000 0.50000 1.0000 + Co Co68 1.0 0.90284 0.54167 0.50000 1.0000 + Co Co69 1.0 0.86117 0.58333 0.50000 1.0000 + Co Co70 1.0 0.81950 0.62500 0.50000 1.0000 + Co Co71 1.0 0.77784 0.66667 0.50000 1.0000 + Co Co72 1.0 0.73617 0.70833 0.50000 1.0000 + Co Co73 1.0 0.23617 0.29167 0.50000 1.0000 + Co Co74 1.0 0.19450 0.33333 0.50000 1.0000 + Co Co75 1.0 0.15284 0.37500 0.50000 1.0000 + Co Co76 1.0 0.11117 0.41667 0.50000 1.0000 + Co Co77 1.0 0.06950 0.45833 0.50000 1.0000 + Co Co78 1.0 0.02784 0.50000 0.50000 1.0000 + Co Co79 1.0 0.98617 0.54167 0.50000 1.0000 + Co Co80 1.0 0.94450 0.58333 0.50000 1.0000 + Co Co81 1.0 0.90284 0.62500 0.50000 1.0000 + Co Co82 1.0 0.86117 0.66667 0.50000 1.0000 + Co Co83 1.0 0.81950 0.70833 0.50000 1.0000 + Co Co84 1.0 0.77784 0.75000 0.50000 1.0000 + Co Co85 1.0 0.27784 0.33333 0.50000 1.0000 + Co Co86 1.0 0.23617 0.37500 0.50000 1.0000 + Co Co87 1.0 0.19450 0.41667 0.50000 1.0000 + Co Co88 1.0 0.15284 0.45833 0.50000 1.0000 + Co Co89 1.0 0.11117 0.50000 0.50000 1.0000 + Co Co90 1.0 0.06950 0.54167 0.50000 1.0000 + Co Co91 1.0 0.02784 0.58333 0.50000 1.0000 + Co Co92 1.0 0.98617 0.62500 0.50000 1.0000 + Co Co93 1.0 0.94450 0.66667 0.50000 1.0000 + Co Co94 1.0 0.90284 0.70833 0.50000 1.0000 + Co Co95 1.0 0.86117 0.75000 0.50000 1.0000 + Co Co96 1.0 0.81950 0.79167 0.50000 1.0000 + Co Co97 1.0 0.31950 0.37500 0.50000 1.0000 + Co Co98 1.0 0.27784 0.41667 0.50000 1.0000 + Co Co99 1.0 0.23617 0.45833 0.50000 1.0000 + Co Co100 1.0 0.19450 0.50000 0.50000 1.0000 + Co Co101 1.0 0.15284 0.54167 0.50000 1.0000 + Co Co102 1.0 0.11117 0.58333 0.50000 1.0000 + Co Co103 1.0 0.06950 0.62500 0.50000 1.0000 + Co Co104 1.0 0.02784 0.66667 0.50000 1.0000 + Co Co105 1.0 0.98617 0.70833 0.50000 1.0000 + Co Co106 1.0 0.94450 0.75000 0.50000 1.0000 + Co Co107 1.0 0.90284 0.79167 0.50000 1.0000 + Co Co108 1.0 0.86117 0.83333 0.50000 1.0000 + Co Co109 1.0 0.36117 0.41667 0.50000 1.0000 + Co Co110 1.0 0.31950 0.45833 0.50000 1.0000 + Co Co111 1.0 0.27784 0.50000 0.50000 1.0000 + Co Co112 1.0 0.23617 0.54167 0.50000 1.0000 + Co Co113 1.0 0.19450 0.58333 0.50000 1.0000 + Co Co114 1.0 0.15284 0.62500 0.50000 1.0000 + Co Co115 1.0 0.11117 0.66667 0.50000 1.0000 + Co Co116 1.0 0.06950 0.70833 0.50000 1.0000 + Co Co117 1.0 0.02784 0.75000 0.50000 1.0000 + Co Co118 1.0 0.98617 0.79167 0.50000 1.0000 + Co Co119 1.0 0.94450 0.83333 0.50000 1.0000 + Co Co120 1.0 0.90284 0.87500 0.50000 1.0000 + Co Co121 1.0 0.40284 0.45833 0.50000 1.0000 + Co Co122 1.0 0.36117 0.50000 0.50000 1.0000 + Co Co123 1.0 0.31950 0.54167 0.50000 1.0000 + Co Co124 1.0 0.27784 0.58333 0.50000 1.0000 + Co Co125 1.0 0.23617 0.62500 0.50000 1.0000 + Co Co126 1.0 0.19450 0.66667 0.50000 1.0000 + Co Co127 1.0 0.15284 0.70833 0.50000 1.0000 + Co Co128 1.0 0.11117 0.75000 0.50000 1.0000 + Co Co129 1.0 0.06950 0.79167 0.50000 1.0000 + Co Co130 1.0 0.02784 0.83333 0.50000 1.0000 + Co Co131 1.0 0.98617 0.87500 0.50000 1.0000 + Co Co132 1.0 0.94450 0.91667 0.50000 1.0000 + Co Co133 1.0 0.44450 0.50000 0.50000 1.0000 + Co Co134 1.0 0.40284 0.54167 0.50000 1.0000 + Co Co135 1.0 0.36117 0.58333 0.50000 1.0000 + Co Co136 1.0 0.31950 0.62500 0.50000 1.0000 + Co Co137 1.0 0.27784 0.66667 0.50000 1.0000 + Co Co138 1.0 0.23617 0.70833 0.50000 1.0000 + Co Co139 1.0 0.19450 0.75000 0.50000 1.0000 + Co Co140 1.0 0.15284 0.79167 0.50000 1.0000 + Co Co141 1.0 0.11117 0.83333 0.50000 1.0000 + Co Co142 1.0 0.06950 0.87500 0.50000 1.0000 + Co Co143 1.0 0.02784 0.91667 0.50000 1.0000 + Co Co144 1.0 0.98617 0.95833 0.50000 1.0000 + Co Co145 1.0 0.01383 0.04167 0.50000 1.0000 + Co Co146 1.0 0.97216 0.08333 0.50000 1.0000 + Co Co147 1.0 0.93050 0.12500 0.50000 1.0000 + Co Co148 1.0 0.88883 0.16667 0.50000 1.0000 + Co Co149 1.0 0.84716 0.20833 0.50000 1.0000 + Co Co150 1.0 0.80550 0.25000 0.50000 1.0000 + Co Co151 1.0 0.76383 0.29167 0.50000 1.0000 + Co Co152 1.0 0.72216 0.33333 0.50000 1.0000 + Co Co153 1.0 0.68050 0.37500 0.50000 1.0000 + Co Co154 1.0 0.63883 0.41667 0.50000 1.0000 + Co Co155 1.0 0.59716 0.45833 0.50000 1.0000 + Co Co156 1.0 0.55550 0.50000 0.50000 1.0000 + Co Co157 1.0 0.05550 0.08333 0.50000 1.0000 + Co Co158 1.0 0.01383 0.12500 0.50000 1.0000 + Co Co159 1.0 0.97216 0.16667 0.50000 1.0000 + Co Co160 1.0 0.93050 0.20833 0.50000 1.0000 + Co Co161 1.0 0.88883 0.25000 0.50000 1.0000 + Co Co162 1.0 0.84716 0.29167 0.50000 1.0000 + Co Co163 1.0 0.80550 0.33333 0.50000 1.0000 + Co Co164 1.0 0.76383 0.37500 0.50000 1.0000 + Co Co165 1.0 0.72216 0.41667 0.50000 1.0000 + Co Co166 1.0 0.68050 0.45833 0.50000 1.0000 + Co Co167 1.0 0.63883 0.50000 0.50000 1.0000 + Co Co168 1.0 0.59716 0.54167 0.50000 1.0000 + Co Co169 1.0 0.09716 0.12500 0.50000 1.0000 + Co Co170 1.0 0.05550 0.16667 0.50000 1.0000 + Co Co171 1.0 0.01383 0.20833 0.50000 1.0000 + Co Co172 1.0 0.97216 0.25000 0.50000 1.0000 + Co Co173 1.0 0.93050 0.29167 0.50000 1.0000 + Co Co174 1.0 0.88883 0.33333 0.50000 1.0000 + Co Co175 1.0 0.84716 0.37500 0.50000 1.0000 + Co Co176 1.0 0.80550 0.41667 0.50000 1.0000 + Co Co177 1.0 0.76383 0.45833 0.50000 1.0000 + Co Co178 1.0 0.72216 0.50000 0.50000 1.0000 + Co Co179 1.0 0.68050 0.54167 0.50000 1.0000 + Co Co180 1.0 0.63883 0.58333 0.50000 1.0000 + Co Co181 1.0 0.13883 0.16667 0.50000 1.0000 + Co Co182 1.0 0.09716 0.20833 0.50000 1.0000 + Co Co183 1.0 0.05550 0.25000 0.50000 1.0000 + Co Co184 1.0 0.01383 0.29167 0.50000 1.0000 + Co Co185 1.0 0.97216 0.33333 0.50000 1.0000 + Co Co186 1.0 0.93050 0.37500 0.50000 1.0000 + Co Co187 1.0 0.88883 0.41667 0.50000 1.0000 + Co Co188 1.0 0.84716 0.45833 0.50000 1.0000 + Co Co189 1.0 0.80550 0.50000 0.50000 1.0000 + Co Co190 1.0 0.76383 0.54167 0.50000 1.0000 + Co Co191 1.0 0.72216 0.58333 0.50000 1.0000 + Co Co192 1.0 0.68050 0.62500 0.50000 1.0000 + Co Co193 1.0 0.18050 0.20833 0.50000 1.0000 + Co Co194 1.0 0.13883 0.25000 0.50000 1.0000 + Co Co195 1.0 0.09716 0.29167 0.50000 1.0000 + Co Co196 1.0 0.05550 0.33333 0.50000 1.0000 + Co Co197 1.0 0.01383 0.37500 0.50000 1.0000 + Co Co198 1.0 0.97216 0.41667 0.50000 1.0000 + Co Co199 1.0 0.93050 0.45833 0.50000 1.0000 + Co Co200 1.0 0.88883 0.50000 0.50000 1.0000 + Co Co201 1.0 0.84716 0.54167 0.50000 1.0000 + Co Co202 1.0 0.80550 0.58333 0.50000 1.0000 + Co Co203 1.0 0.76383 0.62500 0.50000 1.0000 + Co Co204 1.0 0.72216 0.66667 0.50000 1.0000 + Co Co205 1.0 0.22216 0.25000 0.50000 1.0000 + Co Co206 1.0 0.18050 0.29167 0.50000 1.0000 + Co Co207 1.0 0.13883 0.33333 0.50000 1.0000 + Co Co208 1.0 0.09716 0.37500 0.50000 1.0000 + Co Co209 1.0 0.05550 0.41667 0.50000 1.0000 + Co Co210 1.0 0.01383 0.45833 0.50000 1.0000 + Co Co211 1.0 0.97216 0.50000 0.50000 1.0000 + Co Co212 1.0 0.93050 0.54167 0.50000 1.0000 + Co Co213 1.0 0.88883 0.58333 0.50000 1.0000 + Co Co214 1.0 0.84716 0.62500 0.50000 1.0000 + Co Co215 1.0 0.80550 0.66667 0.50000 1.0000 + Co Co216 1.0 0.76383 0.70833 0.50000 1.0000 + Co Co217 1.0 0.26383 0.29167 0.50000 1.0000 + Co Co218 1.0 0.22216 0.33333 0.50000 1.0000 + Co Co219 1.0 0.18050 0.37500 0.50000 1.0000 + Co Co220 1.0 0.13883 0.41667 0.50000 1.0000 + Co Co221 1.0 0.09716 0.45833 0.50000 1.0000 + Co Co222 1.0 0.05550 0.50000 0.50000 1.0000 + Co Co223 1.0 0.01383 0.54167 0.50000 1.0000 + Co Co224 1.0 0.97216 0.58333 0.50000 1.0000 + Co Co225 1.0 0.93050 0.62500 0.50000 1.0000 + Co Co226 1.0 0.88883 0.66667 0.50000 1.0000 + Co Co227 1.0 0.84716 0.70833 0.50000 1.0000 + Co Co228 1.0 0.80550 0.75000 0.50000 1.0000 + Co Co229 1.0 0.30550 0.33333 0.50000 1.0000 + Co Co230 1.0 0.26383 0.37500 0.50000 1.0000 + Co Co231 1.0 0.22216 0.41667 0.50000 1.0000 + Co Co232 1.0 0.18050 0.45833 0.50000 1.0000 + Co Co233 1.0 0.13883 0.50000 0.50000 1.0000 + Co Co234 1.0 0.09716 0.54167 0.50000 1.0000 + Co Co235 1.0 0.05550 0.58333 0.50000 1.0000 + Co Co236 1.0 0.01383 0.62500 0.50000 1.0000 + Co Co237 1.0 0.97216 0.66667 0.50000 1.0000 + Co Co238 1.0 0.93050 0.70833 0.50000 1.0000 + Co Co239 1.0 0.88883 0.75000 0.50000 1.0000 + Co Co240 1.0 0.84716 0.79167 0.50000 1.0000 + Co Co241 1.0 0.34716 0.37500 0.50000 1.0000 + Co Co242 1.0 0.30550 0.41667 0.50000 1.0000 + Co Co243 1.0 0.26383 0.45833 0.50000 1.0000 + Co Co244 1.0 0.22216 0.50000 0.50000 1.0000 + Co Co245 1.0 0.18050 0.54167 0.50000 1.0000 + Co Co246 1.0 0.13883 0.58333 0.50000 1.0000 + Co Co247 1.0 0.09716 0.62500 0.50000 1.0000 + Co Co248 1.0 0.05550 0.66667 0.50000 1.0000 + Co Co249 1.0 0.01383 0.70833 0.50000 1.0000 + Co Co250 1.0 0.97216 0.75000 0.50000 1.0000 + Co Co251 1.0 0.93050 0.79167 0.50000 1.0000 + Co Co252 1.0 0.88883 0.83333 0.50000 1.0000 + Co Co253 1.0 0.38883 0.41667 0.50000 1.0000 + Co Co254 1.0 0.34716 0.45833 0.50000 1.0000 + Co Co255 1.0 0.30550 0.50000 0.50000 1.0000 + Co Co256 1.0 0.26383 0.54167 0.50000 1.0000 + Co Co257 1.0 0.22216 0.58333 0.50000 1.0000 + Co Co258 1.0 0.18050 0.62500 0.50000 1.0000 + Co Co259 1.0 0.13883 0.66667 0.50000 1.0000 + Co Co260 1.0 0.09716 0.70833 0.50000 1.0000 + Co Co261 1.0 0.05550 0.75000 0.50000 1.0000 + Co Co262 1.0 0.01383 0.79167 0.50000 1.0000 + Co Co263 1.0 0.97216 0.83333 0.50000 1.0000 + Co Co264 1.0 0.93050 0.87500 0.50000 1.0000 + Co Co265 1.0 0.43050 0.45833 0.50000 1.0000 + Co Co266 1.0 0.38883 0.50000 0.50000 1.0000 + Co Co267 1.0 0.34716 0.54167 0.50000 1.0000 + Co Co268 1.0 0.30550 0.58333 0.50000 1.0000 + Co Co269 1.0 0.26383 0.62500 0.50000 1.0000 + Co Co270 1.0 0.22216 0.66667 0.50000 1.0000 + Co Co271 1.0 0.18050 0.70833 0.50000 1.0000 + Co Co272 1.0 0.13883 0.75000 0.50000 1.0000 + Co Co273 1.0 0.09716 0.79167 0.50000 1.0000 + Co Co274 1.0 0.05550 0.83333 0.50000 1.0000 + Co Co275 1.0 0.01383 0.87500 0.50000 1.0000 + Co Co276 1.0 0.97216 0.91667 0.50000 1.0000 + Co Co277 1.0 0.47216 0.50000 0.50000 1.0000 + Co Co278 1.0 0.43050 0.54167 0.50000 1.0000 + Co Co279 1.0 0.38883 0.58333 0.50000 1.0000 + Co Co280 1.0 0.34716 0.62500 0.50000 1.0000 + Co Co281 1.0 0.30550 0.66667 0.50000 1.0000 + Co Co282 1.0 0.26383 0.70833 0.50000 1.0000 + Co Co283 1.0 0.22216 0.75000 0.50000 1.0000 + Co Co284 1.0 0.18050 0.79167 0.50000 1.0000 + Co Co285 1.0 0.13883 0.83333 0.50000 1.0000 + Co Co286 1.0 0.09716 0.87500 0.50000 1.0000 + Co Co287 1.0 0.05550 0.91667 0.50000 1.0000 + Co Co288 1.0 0.01383 0.95833 0.50000 1.0000 + O O1 1.0 0.01404 0.01422 0.33983 1.0000 + O O2 1.0 0.97237 0.05588 0.33983 1.0000 + O O3 1.0 0.93070 0.09755 0.33983 1.0000 + O O4 1.0 0.88904 0.13922 0.33983 1.0000 + O O5 1.0 0.84737 0.18088 0.33983 1.0000 + O O6 1.0 0.80570 0.22255 0.33983 1.0000 + O O7 1.0 0.76404 0.26422 0.33983 1.0000 + O O8 1.0 0.72237 0.30588 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Cr Cr282 1.0 0.75000 0.16667 0.50000 1.0000 + Cr Cr283 1.0 0.70833 0.20833 0.50000 1.0000 + Cr Cr284 1.0 0.66667 0.25000 0.50000 1.0000 + Cr Cr285 1.0 0.62500 0.29167 0.50000 1.0000 + Cr Cr286 1.0 0.58333 0.33333 0.50000 1.0000 + Cr Cr287 1.0 0.54167 0.37500 0.50000 1.0000 + Cr Cr288 1.0 0.50000 0.41667 0.50000 1.0000 + Co Co289 1.0 0.48617 0.54167 0.50000 1.0000 + Co Co290 1.0 0.44450 0.58333 0.50000 1.0000 + Co Co291 1.0 0.40284 0.62500 0.50000 1.0000 + Co Co292 1.0 0.36117 0.66667 0.50000 1.0000 + Co Co293 1.0 0.31950 0.70833 0.50000 1.0000 + Co Co294 1.0 0.27784 0.75000 0.50000 1.0000 + Co Co295 1.0 0.23617 0.79167 0.50000 1.0000 + Co Co296 1.0 0.19450 0.83333 0.50000 1.0000 + Co Co297 1.0 0.15284 0.87500 0.50000 1.0000 + Co Co298 1.0 0.11117 0.91667 0.50000 1.0000 + Co Co299 1.0 0.06950 0.95833 0.50000 1.0000 + Co Co300 1.0 0.02784 0.00000 0.50000 1.0000 + Co Co301 1.0 0.52784 0.58333 0.50000 1.0000 + Co Co302 1.0 0.48617 0.62500 0.50000 1.0000 + Co Co303 1.0 0.44450 0.66667 0.50000 1.0000 + Co Co304 1.0 0.40284 0.70833 0.50000 1.0000 + Co Co305 1.0 0.36117 0.75000 0.50000 1.0000 + Co Co306 1.0 0.31950 0.79167 0.50000 1.0000 + Co Co307 1.0 0.27784 0.83333 0.50000 1.0000 + Co Co308 1.0 0.23617 0.87500 0.50000 1.0000 + Co Co309 1.0 0.19450 0.91667 0.50000 1.0000 + Co Co310 1.0 0.15284 0.95833 0.50000 1.0000 + Co Co311 1.0 0.11117 0.00000 0.50000 1.0000 + Co Co312 1.0 0.06950 0.04167 0.50000 1.0000 + Co Co313 1.0 0.56950 0.62500 0.50000 1.0000 + Co Co314 1.0 0.52784 0.66667 0.50000 1.0000 + Co Co315 1.0 0.48617 0.70833 0.50000 1.0000 + Co Co316 1.0 0.44450 0.75000 0.50000 1.0000 + Co Co317 1.0 0.40284 0.79167 0.50000 1.0000 + Co Co318 1.0 0.36117 0.83333 0.50000 1.0000 + Co Co319 1.0 0.31950 0.87500 0.50000 1.0000 + Co Co320 1.0 0.27784 0.91667 0.50000 1.0000 + Co Co321 1.0 0.23617 0.95833 0.50000 1.0000 + Co Co322 1.0 0.19450 0.00000 0.50000 1.0000 + Co Co323 1.0 0.15284 0.04167 0.50000 1.0000 + Co Co324 1.0 0.11117 0.08333 0.50000 1.0000 + Co Co325 1.0 0.61117 0.66667 0.50000 1.0000 + Co Co326 1.0 0.56950 0.70833 0.50000 1.0000 + Co Co327 1.0 0.52784 0.75000 0.50000 1.0000 + Co Co328 1.0 0.48617 0.79167 0.50000 1.0000 + Co Co329 1.0 0.44450 0.83333 0.50000 1.0000 + Co Co330 1.0 0.40284 0.87500 0.50000 1.0000 + Co Co331 1.0 0.36117 0.91667 0.50000 1.0000 + Co Co332 1.0 0.31950 0.95833 0.50000 1.0000 + Co Co333 1.0 0.27784 0.00000 0.50000 1.0000 + Co Co334 1.0 0.23617 0.04167 0.50000 1.0000 + Co Co335 1.0 0.19450 0.08333 0.50000 1.0000 + Co Co336 1.0 0.15284 0.12500 0.50000 1.0000 + Co Co337 1.0 0.65284 0.70833 0.50000 1.0000 + Co Co338 1.0 0.61117 0.75000 0.50000 1.0000 + Co Co339 1.0 0.56950 0.79167 0.50000 1.0000 + Co Co340 1.0 0.52784 0.83333 0.50000 1.0000 + Co Co341 1.0 0.48617 0.87500 0.50000 1.0000 + Co Co342 1.0 0.44450 0.91667 0.50000 1.0000 + Co Co343 1.0 0.40284 0.95833 0.50000 1.0000 + Co Co344 1.0 0.36117 0.00000 0.50000 1.0000 + Co Co345 1.0 0.31950 0.04167 0.50000 1.0000 + Co Co346 1.0 0.27784 0.08333 0.50000 1.0000 + Co Co347 1.0 0.23617 0.12500 0.50000 1.0000 + Co Co348 1.0 0.19450 0.16667 0.50000 1.0000 + Co Co349 1.0 0.69450 0.75000 0.50000 1.0000 + Co Co350 1.0 0.65284 0.79167 0.50000 1.0000 + Co Co351 1.0 0.61117 0.83333 0.50000 1.0000 + Co Co352 1.0 0.56950 0.87500 0.50000 1.0000 + Co Co353 1.0 0.52784 0.91667 0.50000 1.0000 + Co Co354 1.0 0.48617 0.95833 0.50000 1.0000 + Co Co355 1.0 0.44450 0.00000 0.50000 1.0000 + Co Co356 1.0 0.40284 0.04167 0.50000 1.0000 + Co Co357 1.0 0.36117 0.08333 0.50000 1.0000 + Co Co358 1.0 0.31950 0.12500 0.50000 1.0000 + Co Co359 1.0 0.27784 0.16667 0.50000 1.0000 + Co Co360 1.0 0.23617 0.20833 0.50000 1.0000 + Co Co361 1.0 0.73617 0.79167 0.50000 1.0000 + Co Co362 1.0 0.69450 0.83333 0.50000 1.0000 + Co Co363 1.0 0.65284 0.87500 0.50000 1.0000 + Co Co364 1.0 0.61117 0.91667 0.50000 1.0000 + Co Co365 1.0 0.56950 0.95833 0.50000 1.0000 + Co Co366 1.0 0.52784 0.00000 0.50000 1.0000 + Co Co367 1.0 0.48617 0.04167 0.50000 1.0000 + Co Co368 1.0 0.44450 0.08333 0.50000 1.0000 + Co Co369 1.0 0.40284 0.12500 0.50000 1.0000 + Co Co370 1.0 0.36117 0.16667 0.50000 1.0000 + Co Co371 1.0 0.31950 0.20833 0.50000 1.0000 + Co Co372 1.0 0.27784 0.25000 0.50000 1.0000 + Co Co373 1.0 0.77784 0.83333 0.50000 1.0000 + Co Co374 1.0 0.73617 0.87500 0.50000 1.0000 + Co Co375 1.0 0.69450 0.91667 0.50000 1.0000 + Co Co376 1.0 0.65284 0.95833 0.50000 1.0000 + Co Co377 1.0 0.61117 0.00000 0.50000 1.0000 + Co Co378 1.0 0.56950 0.04167 0.50000 1.0000 + Co Co379 1.0 0.52784 0.08333 0.50000 1.0000 + Co Co380 1.0 0.48617 0.12500 0.50000 1.0000 + Co Co381 1.0 0.44450 0.16667 0.50000 1.0000 + Co Co382 1.0 0.40284 0.20833 0.50000 1.0000 + Co Co383 1.0 0.36117 0.25000 0.50000 1.0000 + Co Co384 1.0 0.31950 0.29167 0.50000 1.0000 + Co Co385 1.0 0.81950 0.87500 0.50000 1.0000 + Co Co386 1.0 0.77784 0.91667 0.50000 1.0000 + Co Co387 1.0 0.73617 0.95833 0.50000 1.0000 + Co Co388 1.0 0.69450 1.00000 0.50000 1.0000 + Co Co389 1.0 0.65284 0.04167 0.50000 1.0000 + Co Co390 1.0 0.61117 0.08333 0.50000 1.0000 + Co Co391 1.0 0.56950 0.12500 0.50000 1.0000 + Co Co392 1.0 0.52784 0.16667 0.50000 1.0000 + Co Co393 1.0 0.48617 0.20833 0.50000 1.0000 + Co Co394 1.0 0.44450 0.25000 0.50000 1.0000 + Co Co395 1.0 0.40284 0.29167 0.50000 1.0000 + Co Co396 1.0 0.36117 0.33333 0.50000 1.0000 + Co Co397 1.0 0.86117 0.91667 0.50000 1.0000 + Co Co398 1.0 0.81950 0.95833 0.50000 1.0000 + Co Co399 1.0 0.77784 1.00000 0.50000 1.0000 + Co Co400 1.0 0.73617 0.04167 0.50000 1.0000 + Co Co401 1.0 0.69450 0.08333 0.50000 1.0000 + Co Co402 1.0 0.65284 0.12500 0.50000 1.0000 + Co Co403 1.0 0.61117 0.16667 0.50000 1.0000 + Co Co404 1.0 0.56950 0.20833 0.50000 1.0000 + Co Co405 1.0 0.52784 0.25000 0.50000 1.0000 + Co Co406 1.0 0.48617 0.29167 0.50000 1.0000 + Co Co407 1.0 0.44450 0.33333 0.50000 1.0000 + Co Co408 1.0 0.40284 0.37500 0.50000 1.0000 + Co Co409 1.0 0.90284 0.95833 0.50000 1.0000 + Co Co410 1.0 0.86117 1.00000 0.50000 1.0000 + Co Co411 1.0 0.81950 0.04167 0.50000 1.0000 + Co Co412 1.0 0.77784 0.08333 0.50000 1.0000 + Co Co413 1.0 0.73617 0.12500 0.50000 1.0000 + Co Co414 1.0 0.69450 0.16667 0.50000 1.0000 + Co Co415 1.0 0.65284 0.20833 0.50000 1.0000 + Co Co416 1.0 0.61117 0.25000 0.50000 1.0000 + Co Co417 1.0 0.56950 0.29167 0.50000 1.0000 + Co Co418 1.0 0.52784 0.33333 0.50000 1.0000 + Co Co419 1.0 0.48617 0.37500 0.50000 1.0000 + Co Co420 1.0 0.44450 0.41667 0.50000 1.0000 + Co Co421 1.0 0.94450 1.00000 0.50000 1.0000 + Co Co422 1.0 0.90284 0.04167 0.50000 1.0000 + Co Co423 1.0 0.86117 0.08333 0.50000 1.0000 + Co Co424 1.0 0.81950 0.12500 0.50000 1.0000 + Co Co425 1.0 0.77784 0.16667 0.50000 1.0000 + Co Co426 1.0 0.73617 0.20833 0.50000 1.0000 + Co Co427 1.0 0.69450 0.25000 0.50000 1.0000 + Co Co428 1.0 0.65284 0.29167 0.50000 1.0000 + Co Co429 1.0 0.61117 0.33333 0.50000 1.0000 + Co Co430 1.0 0.56950 0.37500 0.50000 1.0000 + Co Co431 1.0 0.52784 0.41667 0.50000 1.0000 + Co Co432 1.0 0.48617 0.45833 0.50000 1.0000 + Co Co433 1.0 0.51383 0.54167 0.50000 1.0000 + Co Co434 1.0 0.47216 0.58333 0.50000 1.0000 + Co Co435 1.0 0.43050 0.62500 0.50000 1.0000 + Co Co436 1.0 0.38883 0.66667 0.50000 1.0000 + Co Co437 1.0 0.34716 0.70833 0.50000 1.0000 + Co Co438 1.0 0.30550 0.75000 0.50000 1.0000 + Co Co439 1.0 0.26383 0.79167 0.50000 1.0000 + Co Co440 1.0 0.22216 0.83333 0.50000 1.0000 + Co Co441 1.0 0.18050 0.87500 0.50000 1.0000 + Co Co442 1.0 0.13883 0.91667 0.50000 1.0000 + Co Co443 1.0 0.09716 0.95833 0.50000 1.0000 + Co Co444 1.0 0.05550 0.00000 0.50000 1.0000 + Co Co445 1.0 0.55550 0.58333 0.50000 1.0000 + Co Co446 1.0 0.51383 0.62500 0.50000 1.0000 + Co Co447 1.0 0.47216 0.66667 0.50000 1.0000 + Co Co448 1.0 0.43050 0.70833 0.50000 1.0000 + Co Co449 1.0 0.38883 0.75000 0.50000 1.0000 + Co Co450 1.0 0.34716 0.79167 0.50000 1.0000 + Co Co451 1.0 0.30550 0.83333 0.50000 1.0000 + Co Co452 1.0 0.26383 0.87500 0.50000 1.0000 + Co Co453 1.0 0.22216 0.91667 0.50000 1.0000 + Co Co454 1.0 0.18050 0.95833 0.50000 1.0000 + Co Co455 1.0 0.13883 0.00000 0.50000 1.0000 + Co Co456 1.0 0.09716 0.04167 0.50000 1.0000 + Co Co457 1.0 0.59716 0.62500 0.50000 1.0000 + Co Co458 1.0 0.55550 0.66667 0.50000 1.0000 + Co Co459 1.0 0.51383 0.70833 0.50000 1.0000 + Co Co460 1.0 0.47216 0.75000 0.50000 1.0000 + Co Co461 1.0 0.43050 0.79167 0.50000 1.0000 + Co Co462 1.0 0.38883 0.83333 0.50000 1.0000 + Co Co463 1.0 0.34716 0.87500 0.50000 1.0000 + Co Co464 1.0 0.30550 0.91667 0.50000 1.0000 + Co Co465 1.0 0.26383 0.95833 0.50000 1.0000 + Co Co466 1.0 0.22216 0.00000 0.50000 1.0000 + Co Co467 1.0 0.18050 0.04167 0.50000 1.0000 + Co Co468 1.0 0.13883 0.08333 0.50000 1.0000 + Co Co469 1.0 0.63883 0.66667 0.50000 1.0000 + Co Co470 1.0 0.59716 0.70833 0.50000 1.0000 + Co Co471 1.0 0.55550 0.75000 0.50000 1.0000 + Co Co472 1.0 0.51383 0.79167 0.50000 1.0000 + Co Co473 1.0 0.47216 0.83333 0.50000 1.0000 + Co Co474 1.0 0.43050 0.87500 0.50000 1.0000 + Co Co475 1.0 0.38883 0.91667 0.50000 1.0000 + Co Co476 1.0 0.34716 0.95833 0.50000 1.0000 + Co Co477 1.0 0.30550 1.00000 0.50000 1.0000 + Co Co478 1.0 0.26383 0.04167 0.50000 1.0000 + Co Co479 1.0 0.22216 0.08333 0.50000 1.0000 + Co Co480 1.0 0.18050 0.12500 0.50000 1.0000 + Co Co481 1.0 0.68050 0.70833 0.50000 1.0000 + Co Co482 1.0 0.63883 0.75000 0.50000 1.0000 + Co Co483 1.0 0.59716 0.79167 0.50000 1.0000 + Co Co484 1.0 0.55550 0.83333 0.50000 1.0000 + Co Co485 1.0 0.51383 0.87500 0.50000 1.0000 + Co Co486 1.0 0.47216 0.91667 0.50000 1.0000 + Co Co487 1.0 0.43050 0.95833 0.50000 1.0000 + Co Co488 1.0 0.38883 0.00000 0.50000 1.0000 + Co Co489 1.0 0.34716 0.04167 0.50000 1.0000 + Co Co490 1.0 0.30550 0.08333 0.50000 1.0000 + Co Co491 1.0 0.26383 0.12500 0.50000 1.0000 + Co Co492 1.0 0.22216 0.16667 0.50000 1.0000 + Co Co493 1.0 0.72216 0.75000 0.50000 1.0000 + Co Co494 1.0 0.68050 0.79167 0.50000 1.0000 + Co Co495 1.0 0.63883 0.83333 0.50000 1.0000 + Co Co496 1.0 0.59716 0.87500 0.50000 1.0000 + Co Co497 1.0 0.55550 0.91667 0.50000 1.0000 + Co Co498 1.0 0.51383 0.95833 0.50000 1.0000 + Co Co499 1.0 0.47216 0.00000 0.50000 1.0000 + Co Co500 1.0 0.43050 0.04167 0.50000 1.0000 + Co Co501 1.0 0.38883 0.08333 0.50000 1.0000 + Co Co502 1.0 0.34716 0.12500 0.50000 1.0000 + Co Co503 1.0 0.30550 0.16667 0.50000 1.0000 + Co Co504 1.0 0.26383 0.20833 0.50000 1.0000 + Co Co505 1.0 0.76383 0.79167 0.50000 1.0000 + Co Co506 1.0 0.72216 0.83333 0.50000 1.0000 + Co Co507 1.0 0.68050 0.87500 0.50000 1.0000 + Co Co508 1.0 0.63883 0.91667 0.50000 1.0000 + Co Co509 1.0 0.59716 0.95833 0.50000 1.0000 + Co Co510 1.0 0.55550 1.00000 0.50000 1.0000 + Co Co511 1.0 0.51383 0.04167 0.50000 1.0000 + Co Co512 1.0 0.47216 0.08333 0.50000 1.0000 + Co Co513 1.0 0.43050 0.12500 0.50000 1.0000 + Co Co514 1.0 0.38883 0.16667 0.50000 1.0000 + Co Co515 1.0 0.34716 0.20833 0.50000 1.0000 + Co Co516 1.0 0.30550 0.25000 0.50000 1.0000 + Co Co517 1.0 0.80550 0.83333 0.50000 1.0000 + Co Co518 1.0 0.76383 0.87500 0.50000 1.0000 + Co Co519 1.0 0.72216 0.91667 0.50000 1.0000 + Co Co520 1.0 0.68050 0.95833 0.50000 1.0000 + Co Co521 1.0 0.63883 1.00000 0.50000 1.0000 + Co Co522 1.0 0.59716 0.04167 0.50000 1.0000 + Co Co523 1.0 0.55550 0.08333 0.50000 1.0000 + Co Co524 1.0 0.51383 0.12500 0.50000 1.0000 + Co Co525 1.0 0.47216 0.16667 0.50000 1.0000 + Co Co526 1.0 0.43050 0.20833 0.50000 1.0000 + Co Co527 1.0 0.38883 0.25000 0.50000 1.0000 + Co Co528 1.0 0.34716 0.29167 0.50000 1.0000 + Co Co529 1.0 0.84716 0.87500 0.50000 1.0000 + Co Co530 1.0 0.80550 0.91667 0.50000 1.0000 + Co Co531 1.0 0.76383 0.95833 0.50000 1.0000 + Co Co532 1.0 0.72216 1.00000 0.50000 1.0000 + Co Co533 1.0 0.68050 0.04167 0.50000 1.0000 + Co Co534 1.0 0.63883 0.08333 0.50000 1.0000 + Co Co535 1.0 0.59716 0.12500 0.50000 1.0000 + Co Co536 1.0 0.55550 0.16667 0.50000 1.0000 + Co Co537 1.0 0.51383 0.20833 0.50000 1.0000 + Co Co538 1.0 0.47216 0.25000 0.50000 1.0000 + Co Co539 1.0 0.43050 0.29167 0.50000 1.0000 + Co Co540 1.0 0.38883 0.33333 0.50000 1.0000 + Co Co541 1.0 0.88883 0.91667 0.50000 1.0000 + 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1.0000 + O O1720 1.0 0.81930 0.09755 0.33983 1.0000 + O O1721 1.0 0.77763 0.13922 0.33983 1.0000 + O O1722 1.0 0.73596 0.18088 0.33983 1.0000 + O O1723 1.0 0.69430 0.22255 0.33983 1.0000 + O O1724 1.0 0.65263 0.26422 0.33983 1.0000 + O O1725 1.0 0.61096 0.30588 0.33983 1.0000 + O O1726 1.0 0.56930 0.34755 0.33983 1.0000 + O O1727 1.0 0.52763 0.38922 0.33983 1.0000 + O O1728 1.0 0.48596 0.43088 0.33983 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4681_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4681_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..a7d0a9650e4e2b14c357c6ff5b20460aa6d30a72 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4681_supercell_16x16x1.cif @@ -0,0 +1,2073 @@ +data_image0 +_chemical_formula_structural Pr256S768Pr256S768 +_chemical_formula_sum "Pr512 S1536" +_cell_length_a 155.677 +_cell_length_b 89.8799 +_cell_length_c 4 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + 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b/tier2/cif_file/orthogonal_2dm-4693_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..9e7324ec89093e4a647bf843e4817d03ee72525e --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4693_supercell_12x12x1.cif @@ -0,0 +1,3481 @@ +data_image0 +_chemical_formula_structural Fe144Co432O1152Fe144Co432O1152 +_chemical_formula_sum "Fe288 Co864 O2304" +_cell_length_a 119.449 +_cell_length_b 68.964 +_cell_length_c 5.90353 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Fe Fe1 1.0 0.05556 0.00000 0.50000 1.0000 + Fe Fe2 1.0 0.09722 0.04167 0.50000 1.0000 + Fe Fe3 1.0 0.13889 0.08333 0.50000 1.0000 + Fe Fe4 1.0 0.18056 0.12500 0.50000 1.0000 + Fe Fe5 1.0 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Fe Fe94 1.0 0.72222 0.08333 0.50000 1.0000 + Fe Fe95 1.0 0.76389 0.12500 0.50000 1.0000 + Fe Fe96 1.0 0.80556 0.16667 0.50000 1.0000 + Fe Fe97 1.0 0.38889 0.66667 0.50000 1.0000 + Fe Fe98 1.0 0.43056 0.70833 0.50000 1.0000 + Fe Fe99 1.0 0.47222 0.75000 0.50000 1.0000 + Fe Fe100 1.0 0.51389 0.79167 0.50000 1.0000 + Fe Fe101 1.0 0.55556 0.83333 0.50000 1.0000 + Fe Fe102 1.0 0.59722 0.87500 0.50000 1.0000 + Fe Fe103 1.0 0.63889 0.91667 0.50000 1.0000 + Fe Fe104 1.0 0.68056 0.95833 0.50000 1.0000 + Fe Fe105 1.0 0.72222 1.00000 0.50000 1.0000 + Fe Fe106 1.0 0.76389 0.04167 0.50000 1.0000 + Fe Fe107 1.0 0.80556 0.08333 0.50000 1.0000 + Fe Fe108 1.0 0.84722 0.12500 0.50000 1.0000 + Fe Fe109 1.0 0.43056 0.62500 0.50000 1.0000 + Fe Fe110 1.0 0.47222 0.66667 0.50000 1.0000 + Fe Fe111 1.0 0.51389 0.70833 0.50000 1.0000 + Fe Fe112 1.0 0.55556 0.75000 0.50000 1.0000 + Fe Fe113 1.0 0.59722 0.79167 0.50000 1.0000 + Fe Fe114 1.0 0.63889 0.83333 0.50000 1.0000 + Fe Fe115 1.0 0.68056 0.87500 0.50000 1.0000 + Fe Fe116 1.0 0.72222 0.91667 0.50000 1.0000 + Fe Fe117 1.0 0.76389 0.95833 0.50000 1.0000 + Fe Fe118 1.0 0.80556 1.00000 0.50000 1.0000 + Fe Fe119 1.0 0.84722 0.04167 0.50000 1.0000 + Fe Fe120 1.0 0.88889 0.08333 0.50000 1.0000 + Fe Fe121 1.0 0.47222 0.58333 0.50000 1.0000 + Fe Fe122 1.0 0.51389 0.62500 0.50000 1.0000 + Fe Fe123 1.0 0.55556 0.66667 0.50000 1.0000 + Fe Fe124 1.0 0.59722 0.70833 0.50000 1.0000 + Fe Fe125 1.0 0.63889 0.75000 0.50000 1.0000 + Fe Fe126 1.0 0.68056 0.79167 0.50000 1.0000 + Fe Fe127 1.0 0.72222 0.83333 0.50000 1.0000 + Fe Fe128 1.0 0.76389 0.87500 0.50000 1.0000 + Fe Fe129 1.0 0.80556 0.91667 0.50000 1.0000 + Fe Fe130 1.0 0.84722 0.95833 0.50000 1.0000 + Fe Fe131 1.0 0.88889 1.00000 0.50000 1.0000 + Fe Fe132 1.0 0.93056 0.04167 0.50000 1.0000 + Fe Fe133 1.0 0.51389 0.54167 0.50000 1.0000 + Fe Fe134 1.0 0.55556 0.58333 0.50000 1.0000 + Fe Fe135 1.0 0.59722 0.62500 0.50000 1.0000 + Fe Fe136 1.0 0.63889 0.66667 0.50000 1.0000 + Fe Fe137 1.0 0.68056 0.70833 0.50000 1.0000 + Fe Fe138 1.0 0.72222 0.75000 0.50000 1.0000 + Fe Fe139 1.0 0.76389 0.79167 0.50000 1.0000 + Fe Fe140 1.0 0.80556 0.83333 0.50000 1.0000 + Fe Fe141 1.0 0.84722 0.87500 0.50000 1.0000 + Fe Fe142 1.0 0.88889 0.91667 0.50000 1.0000 + Fe Fe143 1.0 0.93056 0.95833 0.50000 1.0000 + Fe Fe144 1.0 0.97222 1.00000 0.50000 1.0000 + Co Co1 1.0 0.01389 0.00000 0.50000 1.0000 + Co Co2 1.0 0.05556 0.04167 0.50000 1.0000 + Co Co3 1.0 0.09722 0.08333 0.50000 1.0000 + Co Co4 1.0 0.13889 0.12500 0.50000 1.0000 + Co Co5 1.0 0.18056 0.16667 0.50000 1.0000 + Co Co6 1.0 0.22222 0.20833 0.50000 1.0000 + Co Co7 1.0 0.26389 0.25000 0.50000 1.0000 + Co Co8 1.0 0.30556 0.29167 0.50000 1.0000 + Co Co9 1.0 0.34722 0.33333 0.50000 1.0000 + Co Co10 1.0 0.38889 0.37500 0.50000 1.0000 + Co Co11 1.0 0.43056 0.41667 0.50000 1.0000 + Co Co12 1.0 0.47222 0.45833 0.50000 1.0000 + Co Co13 1.0 0.05556 0.95833 0.50000 1.0000 + Co Co14 1.0 0.09722 0.00000 0.50000 1.0000 + Co Co15 1.0 0.13889 0.04167 0.50000 1.0000 + Co Co16 1.0 0.18056 0.08333 0.50000 1.0000 + Co Co17 1.0 0.22222 0.12500 0.50000 1.0000 + Co Co18 1.0 0.26389 0.16667 0.50000 1.0000 + Co Co19 1.0 0.30556 0.20833 0.50000 1.0000 + Co Co20 1.0 0.34722 0.25000 0.50000 1.0000 + Co Co21 1.0 0.38889 0.29167 0.50000 1.0000 + Co Co22 1.0 0.43056 0.33333 0.50000 1.0000 + Co Co23 1.0 0.47222 0.37500 0.50000 1.0000 + Co Co24 1.0 0.51389 0.41667 0.50000 1.0000 + Co Co25 1.0 0.09722 0.91667 0.50000 1.0000 + Co Co26 1.0 0.13889 0.95833 0.50000 1.0000 + Co Co27 1.0 0.18056 0.00000 0.50000 1.0000 + Co Co28 1.0 0.22222 0.04167 0.50000 1.0000 + Co Co29 1.0 0.26389 0.08333 0.50000 1.0000 + Co Co30 1.0 0.30556 0.12500 0.50000 1.0000 + Co Co31 1.0 0.34722 0.16667 0.50000 1.0000 + Co Co32 1.0 0.38889 0.20833 0.50000 1.0000 + Co Co33 1.0 0.43056 0.25000 0.50000 1.0000 + Co Co34 1.0 0.47222 0.29167 0.50000 1.0000 + Co Co35 1.0 0.51389 0.33333 0.50000 1.0000 + Co Co36 1.0 0.55556 0.37500 0.50000 1.0000 + Co Co37 1.0 0.13889 0.87500 0.50000 1.0000 + Co Co38 1.0 0.18056 0.91667 0.50000 1.0000 + Co Co39 1.0 0.22222 0.95833 0.50000 1.0000 + Co Co40 1.0 0.26389 1.00000 0.50000 1.0000 + Co Co41 1.0 0.30556 0.04167 0.50000 1.0000 + Co Co42 1.0 0.34722 0.08333 0.50000 1.0000 + Co Co43 1.0 0.38889 0.12500 0.50000 1.0000 + Co Co44 1.0 0.43056 0.16667 0.50000 1.0000 + Co Co45 1.0 0.47222 0.20833 0.50000 1.0000 + Co Co46 1.0 0.51389 0.25000 0.50000 1.0000 + Co Co47 1.0 0.55556 0.29167 0.50000 1.0000 + Co Co48 1.0 0.59722 0.33333 0.50000 1.0000 + Co Co49 1.0 0.18056 0.83333 0.50000 1.0000 + Co Co50 1.0 0.22222 0.87500 0.50000 1.0000 + Co Co51 1.0 0.26389 0.91667 0.50000 1.0000 + Co Co52 1.0 0.30556 0.95833 0.50000 1.0000 + Co Co53 1.0 0.34722 1.00000 0.50000 1.0000 + Co Co54 1.0 0.38889 0.04167 0.50000 1.0000 + Co Co55 1.0 0.43056 0.08333 0.50000 1.0000 + Co Co56 1.0 0.47222 0.12500 0.50000 1.0000 + Co Co57 1.0 0.51389 0.16667 0.50000 1.0000 + Co Co58 1.0 0.55556 0.20833 0.50000 1.0000 + Co Co59 1.0 0.59722 0.25000 0.50000 1.0000 + Co Co60 1.0 0.63889 0.29167 0.50000 1.0000 + Co Co61 1.0 0.22222 0.79167 0.50000 1.0000 + Co Co62 1.0 0.26389 0.83333 0.50000 1.0000 + Co Co63 1.0 0.30556 0.87500 0.50000 1.0000 + Co Co64 1.0 0.34722 0.91667 0.50000 1.0000 + Co Co65 1.0 0.38889 0.95833 0.50000 1.0000 + Co Co66 1.0 0.43056 1.00000 0.50000 1.0000 + Co Co67 1.0 0.47222 0.04167 0.50000 1.0000 + Co Co68 1.0 0.51389 0.08333 0.50000 1.0000 + Co Co69 1.0 0.55556 0.12500 0.50000 1.0000 + Co Co70 1.0 0.59722 0.16667 0.50000 1.0000 + Co Co71 1.0 0.63889 0.20833 0.50000 1.0000 + Co Co72 1.0 0.68056 0.25000 0.50000 1.0000 + Co Co73 1.0 0.26389 0.75000 0.50000 1.0000 + Co Co74 1.0 0.30556 0.79167 0.50000 1.0000 + Co Co75 1.0 0.34722 0.83333 0.50000 1.0000 + Co Co76 1.0 0.38889 0.87500 0.50000 1.0000 + Co Co77 1.0 0.43056 0.91667 0.50000 1.0000 + Co Co78 1.0 0.47222 0.95833 0.50000 1.0000 + Co Co79 1.0 0.51389 1.00000 0.50000 1.0000 + Co Co80 1.0 0.55556 0.04167 0.50000 1.0000 + Co Co81 1.0 0.59722 0.08333 0.50000 1.0000 + Co Co82 1.0 0.63889 0.12500 0.50000 1.0000 + Co Co83 1.0 0.68056 0.16667 0.50000 1.0000 + Co Co84 1.0 0.72222 0.20833 0.50000 1.0000 + Co Co85 1.0 0.30556 0.70833 0.50000 1.0000 + Co Co86 1.0 0.34722 0.75000 0.50000 1.0000 + Co Co87 1.0 0.38889 0.79167 0.50000 1.0000 + Co Co88 1.0 0.43056 0.83333 0.50000 1.0000 + Co Co89 1.0 0.47222 0.87500 0.50000 1.0000 + Co Co90 1.0 0.51389 0.91667 0.50000 1.0000 + Co Co91 1.0 0.55556 0.95833 0.50000 1.0000 + Co Co92 1.0 0.59722 1.00000 0.50000 1.0000 + Co Co93 1.0 0.63889 0.04167 0.50000 1.0000 + Co Co94 1.0 0.68056 0.08333 0.50000 1.0000 + Co Co95 1.0 0.72222 0.12500 0.50000 1.0000 + Co Co96 1.0 0.76389 0.16667 0.50000 1.0000 + Co Co97 1.0 0.34722 0.66667 0.50000 1.0000 + Co Co98 1.0 0.38889 0.70833 0.50000 1.0000 + Co Co99 1.0 0.43056 0.75000 0.50000 1.0000 + Co Co100 1.0 0.47222 0.79167 0.50000 1.0000 + Co Co101 1.0 0.51389 0.83333 0.50000 1.0000 + Co Co102 1.0 0.55556 0.87500 0.50000 1.0000 + Co Co103 1.0 0.59722 0.91667 0.50000 1.0000 + Co Co104 1.0 0.63889 0.95833 0.50000 1.0000 + Co Co105 1.0 0.68056 1.00000 0.50000 1.0000 + Co Co106 1.0 0.72222 0.04167 0.50000 1.0000 + Co Co107 1.0 0.76389 0.08333 0.50000 1.0000 + Co Co108 1.0 0.80556 0.12500 0.50000 1.0000 + Co Co109 1.0 0.38889 0.62500 0.50000 1.0000 + Co Co110 1.0 0.43056 0.66667 0.50000 1.0000 + Co Co111 1.0 0.47222 0.70833 0.50000 1.0000 + Co Co112 1.0 0.51389 0.75000 0.50000 1.0000 + Co Co113 1.0 0.55556 0.79167 0.50000 1.0000 + Co Co114 1.0 0.59722 0.83333 0.50000 1.0000 + Co Co115 1.0 0.63889 0.87500 0.50000 1.0000 + Co Co116 1.0 0.68056 0.91667 0.50000 1.0000 + Co Co117 1.0 0.72222 0.95833 0.50000 1.0000 + Co Co118 1.0 0.76389 1.00000 0.50000 1.0000 + Co Co119 1.0 0.80556 0.04167 0.50000 1.0000 + Co Co120 1.0 0.84722 0.08333 0.50000 1.0000 + Co Co121 1.0 0.43056 0.58333 0.50000 1.0000 + Co Co122 1.0 0.47222 0.62500 0.50000 1.0000 + Co Co123 1.0 0.51389 0.66667 0.50000 1.0000 + Co Co124 1.0 0.55556 0.70833 0.50000 1.0000 + Co Co125 1.0 0.59722 0.75000 0.50000 1.0000 + Co Co126 1.0 0.63889 0.79167 0.50000 1.0000 + Co Co127 1.0 0.68056 0.83333 0.50000 1.0000 + Co Co128 1.0 0.72222 0.87500 0.50000 1.0000 + Co Co129 1.0 0.76389 0.91667 0.50000 1.0000 + Co Co130 1.0 0.80556 0.95833 0.50000 1.0000 + Co Co131 1.0 0.84722 1.00000 0.50000 1.0000 + Co Co132 1.0 0.88889 0.04167 0.50000 1.0000 + Co Co133 1.0 0.47222 0.54167 0.50000 1.0000 + Co Co134 1.0 0.51389 0.58333 0.50000 1.0000 + Co Co135 1.0 0.55556 0.62500 0.50000 1.0000 + Co Co136 1.0 0.59722 0.66667 0.50000 1.0000 + Co Co137 1.0 0.63889 0.70833 0.50000 1.0000 + Co Co138 1.0 0.68056 0.75000 0.50000 1.0000 + Co Co139 1.0 0.72222 0.79167 0.50000 1.0000 + Co Co140 1.0 0.76389 0.83333 0.50000 1.0000 + Co Co141 1.0 0.80556 0.87500 0.50000 1.0000 + Co Co142 1.0 0.84722 0.91667 0.50000 1.0000 + Co Co143 1.0 0.88889 0.95833 0.50000 1.0000 + Co Co144 1.0 0.93056 1.00000 0.50000 1.0000 + Co Co145 1.0 0.03472 0.02083 0.50000 1.0000 + Co Co146 1.0 0.07639 0.06250 0.50000 1.0000 + Co Co147 1.0 0.11806 0.10417 0.50000 1.0000 + Co Co148 1.0 0.15972 0.14583 0.50000 1.0000 + Co Co149 1.0 0.20139 0.18750 0.50000 1.0000 + Co Co150 1.0 0.24306 0.22917 0.50000 1.0000 + Co Co151 1.0 0.28472 0.27083 0.50000 1.0000 + Co Co152 1.0 0.32639 0.31250 0.50000 1.0000 + Co Co153 1.0 0.36806 0.35417 0.50000 1.0000 + Co Co154 1.0 0.40972 0.39583 0.50000 1.0000 + Co Co155 1.0 0.45139 0.43750 0.50000 1.0000 + Co Co156 1.0 0.49306 0.47917 0.50000 1.0000 + Co Co157 1.0 0.07639 0.97917 0.50000 1.0000 + Co Co158 1.0 0.11806 0.02083 0.50000 1.0000 + Co Co159 1.0 0.15972 0.06250 0.50000 1.0000 + Co Co160 1.0 0.20139 0.10417 0.50000 1.0000 + Co Co161 1.0 0.24306 0.14583 0.50000 1.0000 + Co Co162 1.0 0.28472 0.18750 0.50000 1.0000 + Co Co163 1.0 0.32639 0.22917 0.50000 1.0000 + Co Co164 1.0 0.36806 0.27083 0.50000 1.0000 + Co Co165 1.0 0.40972 0.31250 0.50000 1.0000 + Co Co166 1.0 0.45139 0.35417 0.50000 1.0000 + Co Co167 1.0 0.49306 0.39583 0.50000 1.0000 + Co Co168 1.0 0.53472 0.43750 0.50000 1.0000 + Co Co169 1.0 0.11806 0.93750 0.50000 1.0000 + Co Co170 1.0 0.15972 0.97917 0.50000 1.0000 + Co Co171 1.0 0.20139 0.02083 0.50000 1.0000 + Co Co172 1.0 0.24306 0.06250 0.50000 1.0000 + Co Co173 1.0 0.28472 0.10417 0.50000 1.0000 + Co Co174 1.0 0.32639 0.14583 0.50000 1.0000 + Co Co175 1.0 0.36806 0.18750 0.50000 1.0000 + Co Co176 1.0 0.40972 0.22917 0.50000 1.0000 + Co Co177 1.0 0.45139 0.27083 0.50000 1.0000 + Co Co178 1.0 0.49306 0.31250 0.50000 1.0000 + Co Co179 1.0 0.53472 0.35417 0.50000 1.0000 + Co Co180 1.0 0.57639 0.39583 0.50000 1.0000 + Co Co181 1.0 0.15972 0.89583 0.50000 1.0000 + Co Co182 1.0 0.20139 0.93750 0.50000 1.0000 + Co Co183 1.0 0.24306 0.97917 0.50000 1.0000 + Co Co184 1.0 0.28472 0.02083 0.50000 1.0000 + Co Co185 1.0 0.32639 0.06250 0.50000 1.0000 + Co Co186 1.0 0.36806 0.10417 0.50000 1.0000 + Co Co187 1.0 0.40972 0.14583 0.50000 1.0000 + Co Co188 1.0 0.45139 0.18750 0.50000 1.0000 + Co Co189 1.0 0.49306 0.22917 0.50000 1.0000 + Co Co190 1.0 0.53472 0.27083 0.50000 1.0000 + Co Co191 1.0 0.57639 0.31250 0.50000 1.0000 + Co Co192 1.0 0.61806 0.35417 0.50000 1.0000 + Co Co193 1.0 0.20139 0.85417 0.50000 1.0000 + Co Co194 1.0 0.24306 0.89583 0.50000 1.0000 + Co Co195 1.0 0.28472 0.93750 0.50000 1.0000 + Co Co196 1.0 0.32639 0.97917 0.50000 1.0000 + Co Co197 1.0 0.36806 0.02083 0.50000 1.0000 + Co Co198 1.0 0.40972 0.06250 0.50000 1.0000 + Co Co199 1.0 0.45139 0.10417 0.50000 1.0000 + Co Co200 1.0 0.49306 0.14583 0.50000 1.0000 + Co Co201 1.0 0.53472 0.18750 0.50000 1.0000 + Co Co202 1.0 0.57639 0.22917 0.50000 1.0000 + Co Co203 1.0 0.61806 0.27083 0.50000 1.0000 + Co Co204 1.0 0.65972 0.31250 0.50000 1.0000 + Co Co205 1.0 0.24306 0.81250 0.50000 1.0000 + Co Co206 1.0 0.28472 0.85417 0.50000 1.0000 + Co Co207 1.0 0.32639 0.89583 0.50000 1.0000 + Co Co208 1.0 0.36806 0.93750 0.50000 1.0000 + Co Co209 1.0 0.40972 0.97917 0.50000 1.0000 + Co Co210 1.0 0.45139 0.02083 0.50000 1.0000 + Co Co211 1.0 0.49306 0.06250 0.50000 1.0000 + Co Co212 1.0 0.53472 0.10417 0.50000 1.0000 + Co Co213 1.0 0.57639 0.14583 0.50000 1.0000 + Co Co214 1.0 0.61806 0.18750 0.50000 1.0000 + Co Co215 1.0 0.65972 0.22917 0.50000 1.0000 + Co Co216 1.0 0.70139 0.27083 0.50000 1.0000 + Co Co217 1.0 0.28472 0.77083 0.50000 1.0000 + Co Co218 1.0 0.32639 0.81250 0.50000 1.0000 + Co Co219 1.0 0.36806 0.85417 0.50000 1.0000 + Co Co220 1.0 0.40972 0.89583 0.50000 1.0000 + Co Co221 1.0 0.45139 0.93750 0.50000 1.0000 + Co Co222 1.0 0.49306 0.97917 0.50000 1.0000 + Co Co223 1.0 0.53472 0.02083 0.50000 1.0000 + Co Co224 1.0 0.57639 0.06250 0.50000 1.0000 + Co Co225 1.0 0.61806 0.10417 0.50000 1.0000 + Co Co226 1.0 0.65972 0.14583 0.50000 1.0000 + Co Co227 1.0 0.70139 0.18750 0.50000 1.0000 + Co Co228 1.0 0.74306 0.22917 0.50000 1.0000 + Co Co229 1.0 0.32639 0.72917 0.50000 1.0000 + Co Co230 1.0 0.36806 0.77083 0.50000 1.0000 + Co Co231 1.0 0.40972 0.81250 0.50000 1.0000 + Co Co232 1.0 0.45139 0.85417 0.50000 1.0000 + Co Co233 1.0 0.49306 0.89583 0.50000 1.0000 + Co Co234 1.0 0.53472 0.93750 0.50000 1.0000 + Co Co235 1.0 0.57639 0.97917 0.50000 1.0000 + Co Co236 1.0 0.61806 0.02083 0.50000 1.0000 + Co Co237 1.0 0.65972 0.06250 0.50000 1.0000 + Co Co238 1.0 0.70139 0.10417 0.50000 1.0000 + Co Co239 1.0 0.74306 0.14583 0.50000 1.0000 + Co Co240 1.0 0.78472 0.18750 0.50000 1.0000 + Co Co241 1.0 0.36806 0.68750 0.50000 1.0000 + Co Co242 1.0 0.40972 0.72917 0.50000 1.0000 + Co Co243 1.0 0.45139 0.77083 0.50000 1.0000 + Co Co244 1.0 0.49306 0.81250 0.50000 1.0000 + Co Co245 1.0 0.53472 0.85417 0.50000 1.0000 + Co Co246 1.0 0.57639 0.89583 0.50000 1.0000 + Co Co247 1.0 0.61806 0.93750 0.50000 1.0000 + Co Co248 1.0 0.65972 0.97917 0.50000 1.0000 + Co Co249 1.0 0.70139 0.02083 0.50000 1.0000 + Co Co250 1.0 0.74306 0.06250 0.50000 1.0000 + Co Co251 1.0 0.78472 0.10417 0.50000 1.0000 + Co Co252 1.0 0.82639 0.14583 0.50000 1.0000 + Co Co253 1.0 0.40972 0.64583 0.50000 1.0000 + Co Co254 1.0 0.45139 0.68750 0.50000 1.0000 + Co Co255 1.0 0.49306 0.72917 0.50000 1.0000 + 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diff --git a/tier2/cif_file/orthogonal_2dm-4700_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4700_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..ae89b0504bbf541ed33205728a4f4946388ca7f7 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4700_supercell_16x16x1.cif @@ -0,0 +1,2073 @@ +data_image0 +_chemical_formula_structural Si768Mo256Si768Mo256 +_chemical_formula_sum "Si1536 Mo512" +_cell_length_a 137.105 +_cell_length_b 79.1578 +_cell_length_c 4 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Si Si1 1.0 0.98438 0.04687 0.50000 1.0000 + Si Si2 1.0 0.95313 0.07812 0.50000 1.0000 + Si Si3 1.0 0.92188 0.10937 0.50000 1.0000 + Si Si4 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Si Si93 1.0 0.76563 0.57812 0.50000 1.0000 + Si Si94 1.0 0.73438 0.60937 0.50000 1.0000 + Si Si95 1.0 0.70313 0.64062 0.50000 1.0000 + Si Si96 1.0 0.67188 0.67187 0.50000 1.0000 + Si Si97 1.0 0.17188 0.23437 0.50000 1.0000 + Si Si98 1.0 0.14063 0.26562 0.50000 1.0000 + Si Si99 1.0 0.10938 0.29687 0.50000 1.0000 + Si Si100 1.0 0.07813 0.32812 0.50000 1.0000 + Si Si101 1.0 0.04688 0.35937 0.50000 1.0000 + Si Si102 1.0 0.01563 0.39062 0.50000 1.0000 + Si Si103 1.0 0.98438 0.42187 0.50000 1.0000 + Si Si104 1.0 0.95313 0.45312 0.50000 1.0000 + Si Si105 1.0 0.92188 0.48437 0.50000 1.0000 + Si Si106 1.0 0.89063 0.51562 0.50000 1.0000 + Si Si107 1.0 0.85938 0.54687 0.50000 1.0000 + Si Si108 1.0 0.82813 0.57812 0.50000 1.0000 + Si Si109 1.0 0.79688 0.60937 0.50000 1.0000 + Si Si110 1.0 0.76563 0.64062 0.50000 1.0000 + Si Si111 1.0 0.73438 0.67187 0.50000 1.0000 + Si Si112 1.0 0.70313 0.70312 0.50000 1.0000 + Si Si113 1.0 0.20313 0.26562 0.50000 1.0000 + Si Si114 1.0 0.17188 0.29687 0.50000 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1.0000 + Si Si1010 1.0 0.92188 0.04687 0.50000 1.0000 + Si Si1011 1.0 0.89063 0.07812 0.50000 1.0000 + Si Si1012 1.0 0.85938 0.10937 0.50000 1.0000 + Si Si1013 1.0 0.82813 0.14062 0.50000 1.0000 + Si Si1014 1.0 0.79688 0.17187 0.50000 1.0000 + Si Si1015 1.0 0.76563 0.20312 0.50000 1.0000 + Si Si1016 1.0 0.73438 0.23437 0.50000 1.0000 + Si Si1017 1.0 0.70313 0.26562 0.50000 1.0000 + Si Si1018 1.0 0.67188 0.29687 0.50000 1.0000 + Si Si1019 1.0 0.64063 0.32812 0.50000 1.0000 + Si Si1020 1.0 0.60938 0.35937 0.50000 1.0000 + Si Si1021 1.0 0.57813 0.39062 0.50000 1.0000 + Si Si1022 1.0 0.54688 0.42187 0.50000 1.0000 + Si Si1023 1.0 0.51563 0.45312 0.50000 1.0000 + Si Si1024 1.0 0.48438 0.48437 0.50000 1.0000 + Si Si1025 1.0 0.48438 0.51563 0.50000 1.0000 + Si Si1026 1.0 0.45313 0.54688 0.50000 1.0000 + Si Si1027 1.0 0.42188 0.57813 0.50000 1.0000 + Si Si1028 1.0 0.39063 0.60938 0.50000 1.0000 + Si Si1029 1.0 0.35938 0.64063 0.50000 1.0000 + Si Si1030 1.0 0.32813 0.67188 0.50000 1.0000 + Si Si1031 1.0 0.29688 0.70313 0.50000 1.0000 + Si Si1032 1.0 0.26563 0.73438 0.50000 1.0000 + Si Si1033 1.0 0.23438 0.76563 0.50000 1.0000 + Si Si1034 1.0 0.20313 0.79688 0.50000 1.0000 + Si Si1035 1.0 0.17188 0.82813 0.50000 1.0000 + Si Si1036 1.0 0.14063 0.85938 0.50000 1.0000 + Si Si1037 1.0 0.10938 0.89063 0.50000 1.0000 + Si Si1038 1.0 0.07813 0.92188 0.50000 1.0000 + Si Si1039 1.0 0.04688 0.95313 0.50000 1.0000 + Si Si1040 1.0 0.01563 0.98438 0.50000 1.0000 + Si Si1041 1.0 0.51563 0.54688 0.50000 1.0000 + Si Si1042 1.0 0.48438 0.57813 0.50000 1.0000 + Si Si1043 1.0 0.45313 0.60938 0.50000 1.0000 + Si Si1044 1.0 0.42188 0.64063 0.50000 1.0000 + Si Si1045 1.0 0.39063 0.67188 0.50000 1.0000 + Si Si1046 1.0 0.35938 0.70313 0.50000 1.0000 + Si Si1047 1.0 0.32813 0.73438 0.50000 1.0000 + Si Si1048 1.0 0.29688 0.76563 0.50000 1.0000 + Si Si1049 1.0 0.26563 0.79688 0.50000 1.0000 + Si Si1050 1.0 0.23438 0.82813 0.50000 1.0000 + Si Si1051 1.0 0.20313 0.85938 0.50000 1.0000 + Si Si1052 1.0 0.17188 0.89063 0.50000 1.0000 + Si Si1053 1.0 0.14063 0.92188 0.50000 1.0000 + Si Si1054 1.0 0.10938 0.95313 0.50000 1.0000 + Si Si1055 1.0 0.07813 0.98438 0.50000 1.0000 + Si Si1056 1.0 0.04688 0.01563 0.50000 1.0000 + Si Si1057 1.0 0.54688 0.57813 0.50000 1.0000 + Si Si1058 1.0 0.51563 0.60938 0.50000 1.0000 + Si Si1059 1.0 0.48438 0.64063 0.50000 1.0000 + Si Si1060 1.0 0.45313 0.67188 0.50000 1.0000 + Si Si1061 1.0 0.42188 0.70313 0.50000 1.0000 + Si Si1062 1.0 0.39063 0.73438 0.50000 1.0000 + Si Si1063 1.0 0.35938 0.76563 0.50000 1.0000 + Si Si1064 1.0 0.32813 0.79688 0.50000 1.0000 + Si Si1065 1.0 0.29688 0.82813 0.50000 1.0000 + Si Si1066 1.0 0.26563 0.85938 0.50000 1.0000 + Si Si1067 1.0 0.23438 0.89063 0.50000 1.0000 + Si Si1068 1.0 0.20313 0.92188 0.50000 1.0000 + Si Si1069 1.0 0.17188 0.95313 0.50000 1.0000 + Si Si1070 1.0 0.14063 0.98438 0.50000 1.0000 + Si Si1071 1.0 0.10938 0.01563 0.50000 1.0000 + Si Si1072 1.0 0.07813 0.04688 0.50000 1.0000 + Si Si1073 1.0 0.57813 0.60938 0.50000 1.0000 + Si Si1074 1.0 0.54688 0.64063 0.50000 1.0000 + Si Si1075 1.0 0.51563 0.67188 0.50000 1.0000 + Si Si1076 1.0 0.48438 0.70313 0.50000 1.0000 + Si Si1077 1.0 0.45313 0.73438 0.50000 1.0000 + Si Si1078 1.0 0.42188 0.76563 0.50000 1.0000 + Si Si1079 1.0 0.39063 0.79688 0.50000 1.0000 + Si Si1080 1.0 0.35938 0.82813 0.50000 1.0000 + Si Si1081 1.0 0.32813 0.85938 0.50000 1.0000 + Si Si1082 1.0 0.29688 0.89063 0.50000 1.0000 + Si Si1083 1.0 0.26563 0.92188 0.50000 1.0000 + Si Si1084 1.0 0.23438 0.95313 0.50000 1.0000 + Si Si1085 1.0 0.20313 0.98438 0.50000 1.0000 + Si Si1086 1.0 0.17188 0.01563 0.50000 1.0000 + Si Si1087 1.0 0.14063 0.04688 0.50000 1.0000 + Si Si1088 1.0 0.10938 0.07813 0.50000 1.0000 + Si Si1089 1.0 0.60938 0.64063 0.50000 1.0000 + Si Si1090 1.0 0.57813 0.67188 0.50000 1.0000 + Si Si1091 1.0 0.54688 0.70313 0.50000 1.0000 + Si Si1092 1.0 0.51563 0.73438 0.50000 1.0000 + Si Si1093 1.0 0.48438 0.76563 0.50000 1.0000 + Si Si1094 1.0 0.45313 0.79688 0.50000 1.0000 + Si Si1095 1.0 0.42188 0.82813 0.50000 1.0000 + Si Si1096 1.0 0.39063 0.85938 0.50000 1.0000 + Si Si1097 1.0 0.35938 0.89063 0.50000 1.0000 + Si Si1098 1.0 0.32813 0.92188 0.50000 1.0000 + Si Si1099 1.0 0.29688 0.95313 0.50000 1.0000 + Si Si1100 1.0 0.26563 0.98438 0.50000 1.0000 + Si Si1101 1.0 0.23438 0.01563 0.50000 1.0000 + Si Si1102 1.0 0.20313 0.04688 0.50000 1.0000 + Si Si1103 1.0 0.17188 0.07813 0.50000 1.0000 + Si Si1104 1.0 0.14063 0.10938 0.50000 1.0000 + Si Si1105 1.0 0.64063 0.67188 0.50000 1.0000 + Si Si1106 1.0 0.60938 0.70313 0.50000 1.0000 + Si Si1107 1.0 0.57813 0.73438 0.50000 1.0000 + Si Si1108 1.0 0.54688 0.76563 0.50000 1.0000 + Si Si1109 1.0 0.51563 0.79688 0.50000 1.0000 + Si Si1110 1.0 0.48438 0.82813 0.50000 1.0000 + Si Si1111 1.0 0.45313 0.85938 0.50000 1.0000 + Si Si1112 1.0 0.42188 0.89063 0.50000 1.0000 + Si Si1113 1.0 0.39063 0.92188 0.50000 1.0000 + Si Si1114 1.0 0.35938 0.95313 0.50000 1.0000 + Si Si1115 1.0 0.32813 0.98438 0.50000 1.0000 + Si Si1116 1.0 0.29688 0.01563 0.50000 1.0000 + Si Si1117 1.0 0.26563 0.04688 0.50000 1.0000 + Si Si1118 1.0 0.23438 0.07813 0.50000 1.0000 + Si Si1119 1.0 0.20313 0.10938 0.50000 1.0000 + Si Si1120 1.0 0.17188 0.14063 0.50000 1.0000 + Si Si1121 1.0 0.67188 0.70313 0.50000 1.0000 + Si Si1122 1.0 0.64063 0.73438 0.50000 1.0000 + Si Si1123 1.0 0.60938 0.76563 0.50000 1.0000 + Si Si1124 1.0 0.57813 0.79688 0.50000 1.0000 + Si Si1125 1.0 0.54688 0.82813 0.50000 1.0000 + Si Si1126 1.0 0.51563 0.85938 0.50000 1.0000 + Si Si1127 1.0 0.48438 0.89063 0.50000 1.0000 + Si Si1128 1.0 0.45313 0.92188 0.50000 1.0000 + Si Si1129 1.0 0.42188 0.95313 0.50000 1.0000 + Si Si1130 1.0 0.39063 0.98438 0.50000 1.0000 + Si Si1131 1.0 0.35938 0.01563 0.50000 1.0000 + Si Si1132 1.0 0.32813 0.04688 0.50000 1.0000 + Si Si1133 1.0 0.29688 0.07813 0.50000 1.0000 + Si Si1134 1.0 0.26563 0.10938 0.50000 1.0000 + Si Si1135 1.0 0.23438 0.14063 0.50000 1.0000 + Si Si1136 1.0 0.20313 0.17188 0.50000 1.0000 + Si Si1137 1.0 0.70313 0.73438 0.50000 1.0000 + Si Si1138 1.0 0.67188 0.76563 0.50000 1.0000 + Si Si1139 1.0 0.64063 0.79688 0.50000 1.0000 + Si Si1140 1.0 0.60938 0.82813 0.50000 1.0000 + Si Si1141 1.0 0.57813 0.85938 0.50000 1.0000 + Si Si1142 1.0 0.54688 0.89063 0.50000 1.0000 + Si Si1143 1.0 0.51563 0.92188 0.50000 1.0000 + Si Si1144 1.0 0.48438 0.95313 0.50000 1.0000 + Si Si1145 1.0 0.45313 0.98438 0.50000 1.0000 + Si Si1146 1.0 0.42188 0.01563 0.50000 1.0000 + Si Si1147 1.0 0.39063 0.04688 0.50000 1.0000 + Si Si1148 1.0 0.35938 0.07813 0.50000 1.0000 + Si Si1149 1.0 0.32813 0.10938 0.50000 1.0000 + Si Si1150 1.0 0.29688 0.14063 0.50000 1.0000 + Si Si1151 1.0 0.26563 0.17188 0.50000 1.0000 + Si Si1152 1.0 0.23438 0.20313 0.50000 1.0000 + Si Si1153 1.0 0.73438 0.76563 0.50000 1.0000 + Si Si1154 1.0 0.70313 0.79688 0.50000 1.0000 + Si Si1155 1.0 0.67188 0.82813 0.50000 1.0000 + Si Si1156 1.0 0.64063 0.85938 0.50000 1.0000 + Si Si1157 1.0 0.60938 0.89063 0.50000 1.0000 + Si Si1158 1.0 0.57813 0.92188 0.50000 1.0000 + Si Si1159 1.0 0.54688 0.95313 0.50000 1.0000 + Si Si1160 1.0 0.51563 0.98438 0.50000 1.0000 + Si Si1161 1.0 0.48438 0.01563 0.50000 1.0000 + Si Si1162 1.0 0.45313 0.04688 0.50000 1.0000 + Si Si1163 1.0 0.42188 0.07813 0.50000 1.0000 + Si Si1164 1.0 0.39063 0.10938 0.50000 1.0000 + Si Si1165 1.0 0.35938 0.14063 0.50000 1.0000 + Si Si1166 1.0 0.32813 0.17188 0.50000 1.0000 + Si Si1167 1.0 0.29688 0.20313 0.50000 1.0000 + Si Si1168 1.0 0.26563 0.23438 0.50000 1.0000 + Si Si1169 1.0 0.76563 0.79688 0.50000 1.0000 + Si Si1170 1.0 0.73438 0.82813 0.50000 1.0000 + Si Si1171 1.0 0.70313 0.85938 0.50000 1.0000 + Si Si1172 1.0 0.67188 0.89063 0.50000 1.0000 + Si Si1173 1.0 0.64063 0.92188 0.50000 1.0000 + Si Si1174 1.0 0.60938 0.95313 0.50000 1.0000 + Si Si1175 1.0 0.57813 0.98438 0.50000 1.0000 + Si Si1176 1.0 0.54688 0.01563 0.50000 1.0000 + Si Si1177 1.0 0.51563 0.04688 0.50000 1.0000 + Si Si1178 1.0 0.48438 0.07813 0.50000 1.0000 + Si Si1179 1.0 0.45313 0.10938 0.50000 1.0000 + Si Si1180 1.0 0.42188 0.14063 0.50000 1.0000 + Si Si1181 1.0 0.39063 0.17188 0.50000 1.0000 + Si Si1182 1.0 0.35938 0.20313 0.50000 1.0000 + Si Si1183 1.0 0.32813 0.23438 0.50000 1.0000 + Si Si1184 1.0 0.29688 0.26563 0.50000 1.0000 + Si Si1185 1.0 0.79688 0.82813 0.50000 1.0000 + Si Si1186 1.0 0.76563 0.85938 0.50000 1.0000 + Si Si1187 1.0 0.73438 0.89063 0.50000 1.0000 + Si Si1188 1.0 0.70313 0.92188 0.50000 1.0000 + Si Si1189 1.0 0.67188 0.95313 0.50000 1.0000 + Si Si1190 1.0 0.64063 0.98438 0.50000 1.0000 + Si Si1191 1.0 0.60938 0.01563 0.50000 1.0000 + Si Si1192 1.0 0.57813 0.04688 0.50000 1.0000 + Si Si1193 1.0 0.54688 0.07813 0.50000 1.0000 + Si Si1194 1.0 0.51563 0.10938 0.50000 1.0000 + Si Si1195 1.0 0.48438 0.14063 0.50000 1.0000 + Si Si1196 1.0 0.45313 0.17188 0.50000 1.0000 + Si Si1197 1.0 0.42188 0.20313 0.50000 1.0000 + Si Si1198 1.0 0.39063 0.23438 0.50000 1.0000 + Si Si1199 1.0 0.35938 0.26563 0.50000 1.0000 + Si Si1200 1.0 0.32813 0.29688 0.50000 1.0000 + Si Si1201 1.0 0.82813 0.85938 0.50000 1.0000 + Si Si1202 1.0 0.79688 0.89063 0.50000 1.0000 + Si Si1203 1.0 0.76563 0.92188 0.50000 1.0000 + Si Si1204 1.0 0.73438 0.95313 0.50000 1.0000 + Si Si1205 1.0 0.70313 0.98438 0.50000 1.0000 + Si Si1206 1.0 0.67188 0.01563 0.50000 1.0000 + Si Si1207 1.0 0.64063 0.04688 0.50000 1.0000 + Si Si1208 1.0 0.60938 0.07813 0.50000 1.0000 + Si Si1209 1.0 0.57813 0.10938 0.50000 1.0000 + Si Si1210 1.0 0.54688 0.14063 0.50000 1.0000 + Si Si1211 1.0 0.51563 0.17188 0.50000 1.0000 + Si Si1212 1.0 0.48438 0.20313 0.50000 1.0000 + Si Si1213 1.0 0.45313 0.23438 0.50000 1.0000 + Si Si1214 1.0 0.42188 0.26563 0.50000 1.0000 + Si Si1215 1.0 0.39063 0.29688 0.50000 1.0000 + Si Si1216 1.0 0.35938 0.32813 0.50000 1.0000 + Si Si1217 1.0 0.85938 0.89063 0.50000 1.0000 + Si Si1218 1.0 0.82813 0.92188 0.50000 1.0000 + Si Si1219 1.0 0.79688 0.95313 0.50000 1.0000 + Si Si1220 1.0 0.76563 0.98438 0.50000 1.0000 + Si Si1221 1.0 0.73438 0.01563 0.50000 1.0000 + Si Si1222 1.0 0.70313 0.04688 0.50000 1.0000 + Si Si1223 1.0 0.67188 0.07813 0.50000 1.0000 + Si Si1224 1.0 0.64063 0.10938 0.50000 1.0000 + Si Si1225 1.0 0.60938 0.14063 0.50000 1.0000 + Si Si1226 1.0 0.57813 0.17188 0.50000 1.0000 + Si Si1227 1.0 0.54688 0.20313 0.50000 1.0000 + Si Si1228 1.0 0.51563 0.23438 0.50000 1.0000 + Si Si1229 1.0 0.48438 0.26563 0.50000 1.0000 + Si Si1230 1.0 0.45313 0.29688 0.50000 1.0000 + Si Si1231 1.0 0.42188 0.32813 0.50000 1.0000 + Si Si1232 1.0 0.39063 0.35938 0.50000 1.0000 + Si Si1233 1.0 0.89063 0.92188 0.50000 1.0000 + Si Si1234 1.0 0.85938 0.95313 0.50000 1.0000 + Si Si1235 1.0 0.82813 0.98438 0.50000 1.0000 + Si Si1236 1.0 0.79688 0.01563 0.50000 1.0000 + Si Si1237 1.0 0.76563 0.04688 0.50000 1.0000 + Si Si1238 1.0 0.73438 0.07813 0.50000 1.0000 + Si Si1239 1.0 0.70313 0.10938 0.50000 1.0000 + Si Si1240 1.0 0.67188 0.14063 0.50000 1.0000 + Si Si1241 1.0 0.64063 0.17188 0.50000 1.0000 + Si Si1242 1.0 0.60938 0.20313 0.50000 1.0000 + Si Si1243 1.0 0.57813 0.23438 0.50000 1.0000 + Si Si1244 1.0 0.54688 0.26563 0.50000 1.0000 + Si Si1245 1.0 0.51563 0.29688 0.50000 1.0000 + Si Si1246 1.0 0.48438 0.32813 0.50000 1.0000 + Si Si1247 1.0 0.45313 0.35938 0.50000 1.0000 + Si Si1248 1.0 0.42188 0.39063 0.50000 1.0000 + Si Si1249 1.0 0.92188 0.95313 0.50000 1.0000 + Si Si1250 1.0 0.89063 0.98438 0.50000 1.0000 + Si Si1251 1.0 0.85938 0.01563 0.50000 1.0000 + Si Si1252 1.0 0.82813 0.04688 0.50000 1.0000 + Si Si1253 1.0 0.79688 0.07813 0.50000 1.0000 + Si Si1254 1.0 0.76563 0.10938 0.50000 1.0000 + Si Si1255 1.0 0.73438 0.14063 0.50000 1.0000 + Si Si1256 1.0 0.70313 0.17188 0.50000 1.0000 + Si Si1257 1.0 0.67188 0.20313 0.50000 1.0000 + Si Si1258 1.0 0.64063 0.23438 0.50000 1.0000 + Si Si1259 1.0 0.60938 0.26563 0.50000 1.0000 + Si Si1260 1.0 0.57813 0.29688 0.50000 1.0000 + Si Si1261 1.0 0.54688 0.32813 0.50000 1.0000 + Si Si1262 1.0 0.51563 0.35938 0.50000 1.0000 + Si Si1263 1.0 0.48438 0.39063 0.50000 1.0000 + Si Si1264 1.0 0.45313 0.42188 0.50000 1.0000 + Si Si1265 1.0 0.95313 0.98438 0.50000 1.0000 + Si Si1266 1.0 0.92188 0.01563 0.50000 1.0000 + Si Si1267 1.0 0.89063 0.04688 0.50000 1.0000 + Si Si1268 1.0 0.85938 0.07813 0.50000 1.0000 + Si Si1269 1.0 0.82813 0.10938 0.50000 1.0000 + Si Si1270 1.0 0.79688 0.14063 0.50000 1.0000 + Si Si1271 1.0 0.76563 0.17188 0.50000 1.0000 + Si Si1272 1.0 0.73438 0.20313 0.50000 1.0000 + Si Si1273 1.0 0.70313 0.23438 0.50000 1.0000 + Si Si1274 1.0 0.67188 0.26563 0.50000 1.0000 + Si Si1275 1.0 0.64063 0.29688 0.50000 1.0000 + Si Si1276 1.0 0.60938 0.32813 0.50000 1.0000 + Si Si1277 1.0 0.57813 0.35938 0.50000 1.0000 + Si Si1278 1.0 0.54688 0.39063 0.50000 1.0000 + Si Si1279 1.0 0.51563 0.42188 0.50000 1.0000 + Si Si1280 1.0 0.48438 0.45313 0.50000 1.0000 + Si Si1281 1.0 0.50000 0.53125 0.50000 1.0000 + Si Si1282 1.0 0.46875 0.56250 0.50000 1.0000 + Si Si1283 1.0 0.43750 0.59375 0.50000 1.0000 + Si Si1284 1.0 0.40625 0.62500 0.50000 1.0000 + Si Si1285 1.0 0.37500 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F1023 1.0 0.98441 0.92111 0.34203 1.0000 + F F1024 1.0 0.98441 0.98361 0.34203 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-474_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-474_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..26e6eb8f7de2f75972f6ff1a47176fe756b8aa38 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-474_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Ag256S512Ag256S512 +_chemical_formula_sum "Ag512 S1024" +_cell_length_a 99.7453 +_cell_length_b 57.5911 +_cell_length_c 6.78371 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Ag Ag1 1.0 0.00000 0.00000 0.50000 1.0000 + Ag Ag2 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0.50230 1.0000 + O O1525 1.0 0.13768 0.17088 0.50230 1.0000 + O O1526 1.0 0.16893 0.20213 0.50230 1.0000 + O O1527 1.0 0.20018 0.23338 0.50230 1.0000 + O O1528 1.0 0.23143 0.26463 0.50230 1.0000 + O O1529 1.0 0.26268 0.29588 0.50230 1.0000 + O O1530 1.0 0.29393 0.32713 0.50230 1.0000 + O O1531 1.0 0.32518 0.35838 0.50230 1.0000 + O O1532 1.0 0.35643 0.38963 0.50230 1.0000 + O O1533 1.0 0.38768 0.42088 0.50230 1.0000 + O O1534 1.0 0.41893 0.45213 0.50230 1.0000 + O O1535 1.0 0.45018 0.48338 0.50230 1.0000 + O O1536 1.0 0.48143 0.51463 0.50230 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4757_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4757_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..5344fad172b8db4624a186f912d4f4ca779511c5 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4757_supercell_12x12x1.cif @@ -0,0 +1,2617 @@ +data_image0 +_chemical_formula_structural Fe144Co288O864Fe144Co288O864 +_chemical_formula_sum "Fe288 Co576 O1728" +_cell_length_a 103.205 +_cell_length_b 60.0819 +_cell_length_c 5.93564 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Fe Fe1 1.0 0.00000 0.00000 0.50000 1.0000 + Fe Fe2 1.0 0.95833 0.04167 0.50000 1.0000 + Fe Fe3 1.0 0.91667 0.08333 0.50000 1.0000 + Fe Fe4 1.0 0.87500 0.12500 0.50000 1.0000 + Fe Fe5 1.0 0.83333 0.16667 0.50000 1.0000 + Fe Fe6 1.0 0.29167 0.70833 0.50000 1.0000 + Fe Fe7 1.0 0.75000 0.25000 0.50000 1.0000 + Fe Fe8 1.0 0.20833 0.79167 0.50000 1.0000 + Fe Fe9 1.0 0.16667 0.83333 0.50000 1.0000 + Fe Fe10 1.0 0.62500 0.37500 0.50000 1.0000 + Fe Fe11 1.0 0.58333 0.41667 0.50000 1.0000 + Fe Fe12 1.0 0.54167 0.45833 0.50000 1.0000 + Fe Fe13 1.0 0.04167 0.04167 0.50000 1.0000 + Fe Fe14 1.0 0.00000 0.08333 0.50000 1.0000 + Fe Fe15 1.0 0.95833 0.12500 0.50000 1.0000 + Fe Fe16 1.0 0.91667 0.16667 0.50000 1.0000 + Fe Fe17 1.0 0.87500 0.20833 0.50000 1.0000 + Fe Fe18 1.0 0.83333 0.25000 0.50000 1.0000 + Fe Fe19 1.0 0.79167 0.29167 0.50000 1.0000 + Fe Fe20 1.0 0.75000 0.33333 0.50000 1.0000 + Fe Fe21 1.0 0.70833 0.37500 0.50000 1.0000 + Fe Fe22 1.0 0.66667 0.41667 0.50000 1.0000 + Fe Fe23 1.0 0.62500 0.45833 0.50000 1.0000 + Fe Fe24 1.0 0.58333 0.50000 0.50000 1.0000 + Fe Fe25 1.0 0.08333 0.08333 0.50000 1.0000 + Fe Fe26 1.0 0.04167 0.12500 0.50000 1.0000 + Fe Fe27 1.0 0.00000 0.16667 0.50000 1.0000 + Fe Fe28 1.0 0.95833 0.20833 0.50000 1.0000 + Fe Fe29 1.0 0.91667 0.25000 0.50000 1.0000 + Fe Fe30 1.0 0.87500 0.29167 0.50000 1.0000 + Fe Fe31 1.0 0.83333 0.33333 0.50000 1.0000 + Fe Fe32 1.0 0.79167 0.37500 0.50000 1.0000 + Fe Fe33 1.0 0.75000 0.41667 0.50000 1.0000 + Fe Fe34 1.0 0.70833 0.45833 0.50000 1.0000 + Fe Fe35 1.0 0.66667 0.50000 0.50000 1.0000 + Fe Fe36 1.0 0.62500 0.54167 0.50000 1.0000 + Fe Fe37 1.0 0.12500 0.12500 0.50000 1.0000 + Fe Fe38 1.0 0.08333 0.16667 0.50000 1.0000 + Fe Fe39 1.0 0.04167 0.20833 0.50000 1.0000 + Fe Fe40 1.0 0.00000 0.25000 0.50000 1.0000 + Fe Fe41 1.0 0.95833 0.29167 0.50000 1.0000 + Fe Fe42 1.0 0.91667 0.33333 0.50000 1.0000 + Fe Fe43 1.0 0.87500 0.37500 0.50000 1.0000 + Fe Fe44 1.0 0.83333 0.41667 0.50000 1.0000 + Fe Fe45 1.0 0.79167 0.45833 0.50000 1.0000 + Fe Fe46 1.0 0.75000 0.50000 0.50000 1.0000 + Fe Fe47 1.0 0.70833 0.54167 0.50000 1.0000 + Fe Fe48 1.0 0.66667 0.58333 0.50000 1.0000 + Fe Fe49 1.0 0.16667 0.16667 0.50000 1.0000 + Fe Fe50 1.0 0.12500 0.20833 0.50000 1.0000 + Fe Fe51 1.0 0.08333 0.25000 0.50000 1.0000 + Fe Fe52 1.0 0.04167 0.29167 0.50000 1.0000 + Fe Fe53 1.0 0.00000 0.33333 0.50000 1.0000 + Fe Fe54 1.0 0.95833 0.37500 0.50000 1.0000 + Fe Fe55 1.0 0.91667 0.41667 0.50000 1.0000 + Fe Fe56 1.0 0.87500 0.45833 0.50000 1.0000 + Fe Fe57 1.0 0.83333 0.50000 0.50000 1.0000 + Fe Fe58 1.0 0.79167 0.54167 0.50000 1.0000 + Fe Fe59 1.0 0.75000 0.58333 0.50000 1.0000 + Fe Fe60 1.0 0.70833 0.62500 0.50000 1.0000 + Fe Fe61 1.0 0.20833 0.20833 0.50000 1.0000 + Fe Fe62 1.0 0.16667 0.25000 0.50000 1.0000 + Fe Fe63 1.0 0.12500 0.29167 0.50000 1.0000 + Fe Fe64 1.0 0.08333 0.33333 0.50000 1.0000 + Fe Fe65 1.0 0.04167 0.37500 0.50000 1.0000 + Fe Fe66 1.0 0.00000 0.41667 0.50000 1.0000 + Fe Fe67 1.0 0.95833 0.45833 0.50000 1.0000 + Fe Fe68 1.0 0.91667 0.50000 0.50000 1.0000 + Fe Fe69 1.0 0.87500 0.54167 0.50000 1.0000 + Fe Fe70 1.0 0.83333 0.58333 0.50000 1.0000 + Fe Fe71 1.0 0.79167 0.62500 0.50000 1.0000 + Fe Fe72 1.0 0.75000 0.66667 0.50000 1.0000 + Fe Fe73 1.0 0.25000 0.25000 0.50000 1.0000 + Fe Fe74 1.0 0.20833 0.29167 0.50000 1.0000 + Fe Fe75 1.0 0.16667 0.33333 0.50000 1.0000 + Fe Fe76 1.0 0.12500 0.37500 0.50000 1.0000 + Fe Fe77 1.0 0.08333 0.41667 0.50000 1.0000 + Fe Fe78 1.0 0.04167 0.45833 0.50000 1.0000 + Fe Fe79 1.0 0.00000 0.50000 0.50000 1.0000 + Fe Fe80 1.0 0.95833 0.54167 0.50000 1.0000 + Fe Fe81 1.0 0.91667 0.58333 0.50000 1.0000 + Fe Fe82 1.0 0.87500 0.62500 0.50000 1.0000 + Fe Fe83 1.0 0.83333 0.66667 0.50000 1.0000 + Fe Fe84 1.0 0.79167 0.70833 0.50000 1.0000 + Fe Fe85 1.0 0.29167 0.29167 0.50000 1.0000 + Fe Fe86 1.0 0.25000 0.33333 0.50000 1.0000 + Fe Fe87 1.0 0.20833 0.37500 0.50000 1.0000 + Fe Fe88 1.0 0.16667 0.41667 0.50000 1.0000 + Fe Fe89 1.0 0.12500 0.45833 0.50000 1.0000 + Fe Fe90 1.0 0.08333 0.50000 0.50000 1.0000 + Fe Fe91 1.0 0.04167 0.54167 0.50000 1.0000 + Fe Fe92 1.0 0.00000 0.58333 0.50000 1.0000 + Fe Fe93 1.0 0.95833 0.62500 0.50000 1.0000 + Fe Fe94 1.0 0.91667 0.66667 0.50000 1.0000 + Fe Fe95 1.0 0.87500 0.70833 0.50000 1.0000 + Fe Fe96 1.0 0.83333 0.75000 0.50000 1.0000 + Fe Fe97 1.0 0.33333 0.33333 0.50000 1.0000 + Fe Fe98 1.0 0.29167 0.37500 0.50000 1.0000 + Fe Fe99 1.0 0.25000 0.41667 0.50000 1.0000 + Fe Fe100 1.0 0.20833 0.45833 0.50000 1.0000 + Fe Fe101 1.0 0.16667 0.50000 0.50000 1.0000 + Fe Fe102 1.0 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O1532 1.0 0.49991 0.11228 0.33695 1.0000 + O O1533 1.0 0.45824 0.15395 0.33695 1.0000 + O O1534 1.0 0.41658 0.19561 0.33695 1.0000 + O O1535 1.0 0.37491 0.23728 0.33695 1.0000 + O O1536 1.0 0.33324 0.27895 0.33695 1.0000 + O O1537 1.0 0.83324 0.86228 0.33695 1.0000 + O O1538 1.0 0.79158 0.90395 0.33695 1.0000 + O O1539 1.0 0.74991 0.94561 0.33695 1.0000 + O O1540 1.0 0.70824 0.98728 0.33695 1.0000 + O O1541 1.0 0.66658 0.02895 0.33695 1.0000 + O O1542 1.0 0.62491 0.07061 0.33695 1.0000 + O O1543 1.0 0.58324 0.11228 0.33695 1.0000 + O O1544 1.0 0.54158 0.15395 0.33695 1.0000 + O O1545 1.0 0.49991 0.19561 0.33695 1.0000 + O O1546 1.0 0.45824 0.23728 0.33695 1.0000 + O O1547 1.0 0.41658 0.27895 0.33695 1.0000 + O O1548 1.0 0.37491 0.32061 0.33695 1.0000 + O O1549 1.0 0.87491 0.90395 0.33695 1.0000 + O O1550 1.0 0.83324 0.94561 0.33695 1.0000 + O O1551 1.0 0.79158 0.98728 0.33695 1.0000 + O O1552 1.0 0.74991 0.02895 0.33695 1.0000 + O O1553 1.0 0.70824 0.07061 0.33695 1.0000 + O O1554 1.0 0.66658 0.11228 0.33695 1.0000 + O O1555 1.0 0.62491 0.15395 0.33695 1.0000 + O O1556 1.0 0.58324 0.19561 0.33695 1.0000 + O O1557 1.0 0.54158 0.23728 0.33695 1.0000 + O O1558 1.0 0.49991 0.27895 0.33695 1.0000 + O O1559 1.0 0.45824 0.32061 0.33695 1.0000 + O O1560 1.0 0.41658 0.36228 0.33695 1.0000 + O O1561 1.0 0.91658 0.94561 0.33695 1.0000 + O O1562 1.0 0.87491 0.98728 0.33695 1.0000 + O O1563 1.0 0.83324 0.02895 0.33695 1.0000 + O O1564 1.0 0.79158 0.07061 0.33695 1.0000 + O O1565 1.0 0.74991 0.11228 0.33695 1.0000 + O O1566 1.0 0.70824 0.15395 0.33695 1.0000 + O O1567 1.0 0.66658 0.19561 0.33695 1.0000 + O O1568 1.0 0.62491 0.23728 0.33695 1.0000 + O O1569 1.0 0.58324 0.27895 0.33695 1.0000 + O O1570 1.0 0.54158 0.32061 0.33695 1.0000 + O O1571 1.0 0.49991 0.36228 0.33695 1.0000 + O O1572 1.0 0.45824 0.40395 0.33695 1.0000 + O O1573 1.0 0.95824 0.98728 0.33695 1.0000 + O O1574 1.0 0.91658 0.02895 0.33695 1.0000 + O O1575 1.0 0.87491 0.07061 0.33695 1.0000 + O O1576 1.0 0.83324 0.11228 0.33695 1.0000 + O O1577 1.0 0.79158 0.15395 0.33695 1.0000 + O O1578 1.0 0.74991 0.19561 0.33695 1.0000 + O O1579 1.0 0.70824 0.23728 0.33695 1.0000 + O O1580 1.0 0.66658 0.27895 0.33695 1.0000 + O O1581 1.0 0.62491 0.32061 0.33695 1.0000 + O O1582 1.0 0.58324 0.36228 0.33695 1.0000 + O O1583 1.0 0.54158 0.40395 0.33695 1.0000 + O O1584 1.0 0.49991 0.44561 0.33695 1.0000 + O O1585 1.0 0.48557 0.51461 0.66305 1.0000 + O O1586 1.0 0.44390 0.55627 0.66305 1.0000 + O O1587 1.0 0.40224 0.59794 0.66305 1.0000 + O O1588 1.0 0.36057 0.63961 0.66305 1.0000 + O O1589 1.0 0.31890 0.68127 0.66305 1.0000 + O O1590 1.0 0.27724 0.72294 0.66305 1.0000 + O O1591 1.0 0.23557 0.76461 0.66305 1.0000 + O O1592 1.0 0.19390 0.80627 0.66305 1.0000 + O O1593 1.0 0.15224 0.84794 0.66305 1.0000 + O O1594 1.0 0.11057 0.88961 0.66305 1.0000 + O O1595 1.0 0.06890 0.93127 0.66305 1.0000 + O O1596 1.0 0.02724 0.97294 0.66305 1.0000 + O O1597 1.0 0.52724 0.55627 0.66305 1.0000 + O O1598 1.0 0.48557 0.59794 0.66305 1.0000 + O O1599 1.0 0.44390 0.63961 0.66305 1.0000 + O O1600 1.0 0.40224 0.68127 0.66305 1.0000 + O O1601 1.0 0.36057 0.72294 0.66305 1.0000 + O O1602 1.0 0.31890 0.76461 0.66305 1.0000 + O O1603 1.0 0.27724 0.80627 0.66305 1.0000 + O O1604 1.0 0.23557 0.84794 0.66305 1.0000 + O O1605 1.0 0.19390 0.88961 0.66305 1.0000 + O O1606 1.0 0.15224 0.93127 0.66305 1.0000 + O O1607 1.0 0.11057 0.97294 0.66305 1.0000 + O O1608 1.0 0.06890 0.01461 0.66305 1.0000 + O O1609 1.0 0.56890 0.59794 0.66305 1.0000 + O O1610 1.0 0.52724 0.63961 0.66305 1.0000 + O O1611 1.0 0.48557 0.68127 0.66305 1.0000 + O O1612 1.0 0.44390 0.72294 0.66305 1.0000 + O O1613 1.0 0.40224 0.76461 0.66305 1.0000 + O O1614 1.0 0.36057 0.80627 0.66305 1.0000 + O O1615 1.0 0.31890 0.84794 0.66305 1.0000 + O O1616 1.0 0.27724 0.88961 0.66305 1.0000 + O O1617 1.0 0.23557 0.93127 0.66305 1.0000 + O O1618 1.0 0.19390 0.97294 0.66305 1.0000 + O O1619 1.0 0.15224 0.01461 0.66305 1.0000 + O O1620 1.0 0.11057 0.05627 0.66305 1.0000 + O O1621 1.0 0.61057 0.63961 0.66305 1.0000 + O O1622 1.0 0.56890 0.68127 0.66305 1.0000 + O O1623 1.0 0.52724 0.72294 0.66305 1.0000 + O O1624 1.0 0.48557 0.76461 0.66305 1.0000 + O O1625 1.0 0.44390 0.80627 0.66305 1.0000 + O O1626 1.0 0.40224 0.84794 0.66305 1.0000 + O O1627 1.0 0.36057 0.88961 0.66305 1.0000 + O O1628 1.0 0.31890 0.93127 0.66305 1.0000 + O O1629 1.0 0.27724 0.97294 0.66305 1.0000 + O O1630 1.0 0.23557 0.01461 0.66305 1.0000 + O O1631 1.0 0.19390 0.05627 0.66305 1.0000 + O O1632 1.0 0.15224 0.09794 0.66305 1.0000 + O O1633 1.0 0.65224 0.68127 0.66305 1.0000 + O O1634 1.0 0.61057 0.72294 0.66305 1.0000 + O O1635 1.0 0.56890 0.76461 0.66305 1.0000 + O O1636 1.0 0.52724 0.80627 0.66305 1.0000 + O O1637 1.0 0.48557 0.84794 0.66305 1.0000 + O O1638 1.0 0.44390 0.88961 0.66305 1.0000 + O O1639 1.0 0.40224 0.93127 0.66305 1.0000 + O O1640 1.0 0.36057 0.97294 0.66305 1.0000 + O O1641 1.0 0.31890 0.01461 0.66305 1.0000 + O O1642 1.0 0.27724 0.05627 0.66305 1.0000 + O O1643 1.0 0.23557 0.09794 0.66305 1.0000 + O O1644 1.0 0.19390 0.13961 0.66305 1.0000 + O O1645 1.0 0.69390 0.72294 0.66305 1.0000 + O O1646 1.0 0.65224 0.76461 0.66305 1.0000 + O O1647 1.0 0.61057 0.80627 0.66305 1.0000 + O O1648 1.0 0.56890 0.84794 0.66305 1.0000 + O O1649 1.0 0.52724 0.88961 0.66305 1.0000 + O O1650 1.0 0.48557 0.93127 0.66305 1.0000 + O O1651 1.0 0.44390 0.97294 0.66305 1.0000 + O O1652 1.0 0.40224 0.01461 0.66305 1.0000 + O O1653 1.0 0.36057 0.05627 0.66305 1.0000 + O O1654 1.0 0.31890 0.09794 0.66305 1.0000 + O O1655 1.0 0.27724 0.13961 0.66305 1.0000 + O O1656 1.0 0.23557 0.18127 0.66305 1.0000 + O O1657 1.0 0.73557 0.76461 0.66305 1.0000 + O O1658 1.0 0.69390 0.80627 0.66305 1.0000 + O O1659 1.0 0.65224 0.84794 0.66305 1.0000 + O O1660 1.0 0.61057 0.88961 0.66305 1.0000 + O O1661 1.0 0.56890 0.93127 0.66305 1.0000 + O O1662 1.0 0.52724 0.97294 0.66305 1.0000 + O O1663 1.0 0.48557 0.01461 0.66305 1.0000 + O O1664 1.0 0.44390 0.05627 0.66305 1.0000 + O O1665 1.0 0.40224 0.09794 0.66305 1.0000 + O O1666 1.0 0.36057 0.13961 0.66305 1.0000 + O O1667 1.0 0.31890 0.18127 0.66305 1.0000 + O O1668 1.0 0.27724 0.22294 0.66305 1.0000 + O O1669 1.0 0.77724 0.80627 0.66305 1.0000 + O O1670 1.0 0.73557 0.84794 0.66305 1.0000 + O O1671 1.0 0.69390 0.88961 0.66305 1.0000 + O O1672 1.0 0.65224 0.93127 0.66305 1.0000 + O O1673 1.0 0.61057 0.97294 0.66305 1.0000 + O O1674 1.0 0.56890 0.01461 0.66305 1.0000 + O O1675 1.0 0.52724 0.05627 0.66305 1.0000 + O O1676 1.0 0.48557 0.09794 0.66305 1.0000 + O O1677 1.0 0.44390 0.13961 0.66305 1.0000 + O O1678 1.0 0.40224 0.18127 0.66305 1.0000 + O O1679 1.0 0.36057 0.22294 0.66305 1.0000 + O O1680 1.0 0.31890 0.26461 0.66305 1.0000 + O O1681 1.0 0.81890 0.84794 0.66305 1.0000 + O O1682 1.0 0.77724 0.88961 0.66305 1.0000 + O O1683 1.0 0.73557 0.93127 0.66305 1.0000 + O O1684 1.0 0.69390 0.97294 0.66305 1.0000 + O O1685 1.0 0.65224 0.01461 0.66305 1.0000 + O O1686 1.0 0.61057 0.05627 0.66305 1.0000 + O O1687 1.0 0.56890 0.09794 0.66305 1.0000 + O O1688 1.0 0.52724 0.13961 0.66305 1.0000 + O O1689 1.0 0.48557 0.18127 0.66305 1.0000 + O O1690 1.0 0.44390 0.22294 0.66305 1.0000 + O O1691 1.0 0.40224 0.26461 0.66305 1.0000 + O O1692 1.0 0.36057 0.30627 0.66305 1.0000 + O O1693 1.0 0.86057 0.88961 0.66305 1.0000 + O O1694 1.0 0.81890 0.93127 0.66305 1.0000 + O O1695 1.0 0.77724 0.97294 0.66305 1.0000 + O O1696 1.0 0.73557 0.01461 0.66305 1.0000 + O O1697 1.0 0.69390 0.05627 0.66305 1.0000 + O O1698 1.0 0.65224 0.09794 0.66305 1.0000 + O O1699 1.0 0.61057 0.13961 0.66305 1.0000 + O O1700 1.0 0.56890 0.18127 0.66305 1.0000 + O O1701 1.0 0.52724 0.22294 0.66305 1.0000 + O O1702 1.0 0.48557 0.26461 0.66305 1.0000 + O O1703 1.0 0.44390 0.30627 0.66305 1.0000 + O O1704 1.0 0.40224 0.34794 0.66305 1.0000 + O O1705 1.0 0.90224 0.93127 0.66305 1.0000 + O O1706 1.0 0.86057 0.97294 0.66305 1.0000 + O O1707 1.0 0.81890 0.01461 0.66305 1.0000 + O O1708 1.0 0.77724 0.05627 0.66305 1.0000 + O O1709 1.0 0.73557 0.09794 0.66305 1.0000 + O O1710 1.0 0.69390 0.13961 0.66305 1.0000 + O O1711 1.0 0.65224 0.18127 0.66305 1.0000 + O O1712 1.0 0.61057 0.22294 0.66305 1.0000 + O O1713 1.0 0.56890 0.26461 0.66305 1.0000 + O O1714 1.0 0.52724 0.30627 0.66305 1.0000 + O O1715 1.0 0.48557 0.34794 0.66305 1.0000 + O O1716 1.0 0.44390 0.38961 0.66305 1.0000 + O O1717 1.0 0.94390 0.97294 0.66305 1.0000 + O O1718 1.0 0.90224 0.01461 0.66305 1.0000 + O O1719 1.0 0.86057 0.05627 0.66305 1.0000 + O O1720 1.0 0.81890 0.09794 0.66305 1.0000 + O O1721 1.0 0.77724 0.13961 0.66305 1.0000 + O O1722 1.0 0.73557 0.18127 0.66305 1.0000 + O O1723 1.0 0.69390 0.22294 0.66305 1.0000 + O O1724 1.0 0.65224 0.26461 0.66305 1.0000 + O O1725 1.0 0.61057 0.30627 0.66305 1.0000 + O O1726 1.0 0.56890 0.34794 0.66305 1.0000 + O O1727 1.0 0.52724 0.38961 0.66305 1.0000 + O O1728 1.0 0.48557 0.43127 0.66305 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4801_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4801_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..579716fcd4822510bc8badb42d7ba383d7ff6170 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4801_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural Sn512Se512 +_chemical_formula_sum "Sn512 Se512" +_cell_length_a 61.9482 +_cell_length_b 98.2429 +_cell_length_c 6.04616 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Sn Sn1 1.0 0.03125 0.00000 0.33079 1.0000 + Sn Sn2 1.0 0.03125 0.06250 0.33079 1.0000 + Sn Sn3 1.0 0.03125 0.12500 0.33079 1.0000 + Sn Sn4 1.0 0.03125 0.18750 0.33079 1.0000 + Sn Sn5 1.0 0.03125 0.25000 0.33079 1.0000 + Sn Sn6 1.0 0.03125 0.31250 0.33079 1.0000 + Sn Sn7 1.0 0.03125 0.37500 0.33079 1.0000 + Sn Sn8 1.0 0.03125 0.43750 0.33079 1.0000 + Sn Sn9 1.0 0.03125 0.50000 0.33079 1.0000 + Sn Sn10 1.0 0.03125 0.56250 0.33079 1.0000 + Sn Sn11 1.0 0.03125 0.62500 0.33079 1.0000 + Sn Sn12 1.0 0.03125 0.68750 0.33079 1.0000 + Sn Sn13 1.0 0.03125 0.75000 0.33079 1.0000 + Sn Sn14 1.0 0.03125 0.81250 0.33079 1.0000 + Sn Sn15 1.0 0.03125 0.87500 0.33079 1.0000 + Sn Sn16 1.0 0.03125 0.93750 0.33079 1.0000 + Sn Sn17 1.0 0.09375 0.00000 0.33079 1.0000 + Sn Sn18 1.0 0.09375 0.06250 0.33079 1.0000 + Sn Sn19 1.0 0.09375 0.12500 0.33079 1.0000 + Sn Sn20 1.0 0.09375 0.18750 0.33079 1.0000 + Sn Sn21 1.0 0.09375 0.25000 0.33079 1.0000 + Sn Sn22 1.0 0.09375 0.31250 0.33079 1.0000 + Sn Sn23 1.0 0.09375 0.37500 0.33079 1.0000 + Sn Sn24 1.0 0.09375 0.43750 0.33079 1.0000 + Sn Sn25 1.0 0.09375 0.50000 0.33079 1.0000 + Sn Sn26 1.0 0.09375 0.56250 0.33079 1.0000 + Sn Sn27 1.0 0.09375 0.62500 0.33079 1.0000 + Sn Sn28 1.0 0.09375 0.68750 0.33079 1.0000 + Sn Sn29 1.0 0.09375 0.75000 0.33079 1.0000 + Sn Sn30 1.0 0.09375 0.81250 0.33079 1.0000 + Sn Sn31 1.0 0.09375 0.87500 0.33079 1.0000 + Sn Sn32 1.0 0.09375 0.93750 0.33079 1.0000 + Sn Sn33 1.0 0.15625 0.00000 0.33079 1.0000 + Sn Sn34 1.0 0.15625 0.06250 0.33079 1.0000 + Sn Sn35 1.0 0.15625 0.12500 0.33079 1.0000 + Sn Sn36 1.0 0.15625 0.18750 0.33079 1.0000 + Sn Sn37 1.0 0.15625 0.25000 0.33079 1.0000 + Sn Sn38 1.0 0.15625 0.31250 0.33079 1.0000 + Sn Sn39 1.0 0.15625 0.37500 0.33079 1.0000 + Sn Sn40 1.0 0.15625 0.43750 0.33079 1.0000 + Sn Sn41 1.0 0.15625 0.50000 0.33079 1.0000 + Sn Sn42 1.0 0.15625 0.56250 0.33079 1.0000 + Sn Sn43 1.0 0.15625 0.62500 0.33079 1.0000 + Sn Sn44 1.0 0.15625 0.68750 0.33079 1.0000 + Sn Sn45 1.0 0.15625 0.75000 0.33079 1.0000 + Sn Sn46 1.0 0.15625 0.81250 0.33079 1.0000 + Sn Sn47 1.0 0.15625 0.87500 0.33079 1.0000 + Sn Sn48 1.0 0.15625 0.93750 0.33079 1.0000 + Sn Sn49 1.0 0.21875 0.00000 0.33079 1.0000 + Sn Sn50 1.0 0.21875 0.06250 0.33079 1.0000 + Sn Sn51 1.0 0.21875 0.12500 0.33079 1.0000 + Sn Sn52 1.0 0.21875 0.18750 0.33079 1.0000 + Sn Sn53 1.0 0.21875 0.25000 0.33079 1.0000 + Sn Sn54 1.0 0.21875 0.31250 0.33079 1.0000 + Sn Sn55 1.0 0.21875 0.37500 0.33079 1.0000 + Sn Sn56 1.0 0.21875 0.43750 0.33079 1.0000 + Sn Sn57 1.0 0.21875 0.50000 0.33079 1.0000 + Sn Sn58 1.0 0.21875 0.56250 0.33079 1.0000 + Sn Sn59 1.0 0.21875 0.62500 0.33079 1.0000 + Sn Sn60 1.0 0.21875 0.68750 0.33079 1.0000 + Sn Sn61 1.0 0.21875 0.75000 0.33079 1.0000 + Sn Sn62 1.0 0.21875 0.81250 0.33079 1.0000 + Sn Sn63 1.0 0.21875 0.87500 0.33079 1.0000 + Sn Sn64 1.0 0.21875 0.93750 0.33079 1.0000 + Sn Sn65 1.0 0.28125 0.00000 0.33079 1.0000 + Sn Sn66 1.0 0.28125 0.06250 0.33079 1.0000 + Sn Sn67 1.0 0.28125 0.12500 0.33079 1.0000 + Sn Sn68 1.0 0.28125 0.18750 0.33079 1.0000 + Sn Sn69 1.0 0.28125 0.25000 0.33079 1.0000 + Sn Sn70 1.0 0.28125 0.31250 0.33079 1.0000 + Sn Sn71 1.0 0.28125 0.37500 0.33079 1.0000 + Sn Sn72 1.0 0.28125 0.43750 0.33079 1.0000 + Sn Sn73 1.0 0.28125 0.50000 0.33079 1.0000 + Sn Sn74 1.0 0.28125 0.56250 0.33079 1.0000 + Sn Sn75 1.0 0.28125 0.62500 0.33079 1.0000 + Sn Sn76 1.0 0.28125 0.68750 0.33079 1.0000 + Sn Sn77 1.0 0.28125 0.75000 0.33079 1.0000 + Sn Sn78 1.0 0.28125 0.81250 0.33079 1.0000 + Sn Sn79 1.0 0.28125 0.87500 0.33079 1.0000 + Sn Sn80 1.0 0.28125 0.93750 0.33079 1.0000 + Sn Sn81 1.0 0.34375 0.00000 0.33079 1.0000 + Sn Sn82 1.0 0.34375 0.06250 0.33079 1.0000 + Sn Sn83 1.0 0.34375 0.12500 0.33079 1.0000 + Sn Sn84 1.0 0.34375 0.18750 0.33079 1.0000 + Sn Sn85 1.0 0.34375 0.25000 0.33079 1.0000 + Sn Sn86 1.0 0.34375 0.31250 0.33079 1.0000 + Sn Sn87 1.0 0.34375 0.37500 0.33079 1.0000 + Sn Sn88 1.0 0.34375 0.43750 0.33079 1.0000 + Sn Sn89 1.0 0.34375 0.50000 0.33079 1.0000 + Sn Sn90 1.0 0.34375 0.56250 0.33079 1.0000 + Sn Sn91 1.0 0.34375 0.62500 0.33079 1.0000 + Sn Sn92 1.0 0.34375 0.68750 0.33079 1.0000 + Sn Sn93 1.0 0.34375 0.75000 0.33079 1.0000 + Sn Sn94 1.0 0.34375 0.81250 0.33079 1.0000 + Sn Sn95 1.0 0.34375 0.87500 0.33079 1.0000 + Sn Sn96 1.0 0.34375 0.93750 0.33079 1.0000 + Sn Sn97 1.0 0.40625 0.00000 0.33079 1.0000 + Sn Sn98 1.0 0.40625 0.06250 0.33079 1.0000 + Sn Sn99 1.0 0.40625 0.12500 0.33079 1.0000 + Sn Sn100 1.0 0.40625 0.18750 0.33079 1.0000 + Sn Sn101 1.0 0.40625 0.25000 0.33079 1.0000 + Sn Sn102 1.0 0.40625 0.31250 0.33079 1.0000 + Sn Sn103 1.0 0.40625 0.37500 0.33079 1.0000 + Sn Sn104 1.0 0.40625 0.43750 0.33079 1.0000 + Sn Sn105 1.0 0.40625 0.50000 0.33079 1.0000 + Sn Sn106 1.0 0.40625 0.56250 0.33079 1.0000 + Sn Sn107 1.0 0.40625 0.62500 0.33079 1.0000 + Sn Sn108 1.0 0.40625 0.68750 0.33079 1.0000 + Sn Sn109 1.0 0.40625 0.75000 0.33079 1.0000 + Sn Sn110 1.0 0.40625 0.81250 0.33079 1.0000 + Sn Sn111 1.0 0.40625 0.87500 0.33079 1.0000 + Sn Sn112 1.0 0.40625 0.93750 0.33079 1.0000 + Sn Sn113 1.0 0.46875 0.00000 0.33079 1.0000 + Sn Sn114 1.0 0.46875 0.06250 0.33079 1.0000 + Sn Sn115 1.0 0.46875 0.12500 0.33079 1.0000 + Sn Sn116 1.0 0.46875 0.18750 0.33079 1.0000 + Sn Sn117 1.0 0.46875 0.25000 0.33079 1.0000 + Sn Sn118 1.0 0.46875 0.31250 0.33079 1.0000 + Sn Sn119 1.0 0.46875 0.37500 0.33079 1.0000 + Sn Sn120 1.0 0.46875 0.43750 0.33079 1.0000 + Sn Sn121 1.0 0.46875 0.50000 0.33079 1.0000 + Sn Sn122 1.0 0.46875 0.56250 0.33079 1.0000 + Sn Sn123 1.0 0.46875 0.62500 0.33079 1.0000 + Sn Sn124 1.0 0.46875 0.68750 0.33079 1.0000 + Sn Sn125 1.0 0.46875 0.75000 0.33079 1.0000 + Sn Sn126 1.0 0.46875 0.81250 0.33079 1.0000 + Sn Sn127 1.0 0.46875 0.87500 0.33079 1.0000 + Sn Sn128 1.0 0.46875 0.93750 0.33079 1.0000 + Sn Sn129 1.0 0.53125 0.00000 0.33079 1.0000 + Sn Sn130 1.0 0.53125 0.06250 0.33079 1.0000 + Sn Sn131 1.0 0.53125 0.12500 0.33079 1.0000 + Sn Sn132 1.0 0.53125 0.18750 0.33079 1.0000 + Sn Sn133 1.0 0.53125 0.25000 0.33079 1.0000 + Sn Sn134 1.0 0.53125 0.31250 0.33079 1.0000 + Sn Sn135 1.0 0.53125 0.37500 0.33079 1.0000 + Sn Sn136 1.0 0.53125 0.43750 0.33079 1.0000 + Sn Sn137 1.0 0.53125 0.50000 0.33079 1.0000 + Sn Sn138 1.0 0.53125 0.56250 0.33079 1.0000 + Sn Sn139 1.0 0.53125 0.62500 0.33079 1.0000 + Sn Sn140 1.0 0.53125 0.68750 0.33079 1.0000 + Sn Sn141 1.0 0.53125 0.75000 0.33079 1.0000 + Sn Sn142 1.0 0.53125 0.81250 0.33079 1.0000 + Sn Sn143 1.0 0.53125 0.87500 0.33079 1.0000 + Sn Sn144 1.0 0.53125 0.93750 0.33079 1.0000 + Sn Sn145 1.0 0.59375 0.00000 0.33079 1.0000 + Sn Sn146 1.0 0.59375 0.06250 0.33079 1.0000 + Sn Sn147 1.0 0.59375 0.12500 0.33079 1.0000 + Sn Sn148 1.0 0.59375 0.18750 0.33079 1.0000 + Sn Sn149 1.0 0.59375 0.25000 0.33079 1.0000 + Sn Sn150 1.0 0.59375 0.31250 0.33079 1.0000 + Sn Sn151 1.0 0.59375 0.37500 0.33079 1.0000 + Sn Sn152 1.0 0.59375 0.43750 0.33079 1.0000 + Sn Sn153 1.0 0.59375 0.50000 0.33079 1.0000 + Sn Sn154 1.0 0.59375 0.56250 0.33079 1.0000 + Sn Sn155 1.0 0.59375 0.62500 0.33079 1.0000 + Sn Sn156 1.0 0.59375 0.68750 0.33079 1.0000 + Sn Sn157 1.0 0.59375 0.75000 0.33079 1.0000 + Sn Sn158 1.0 0.59375 0.81250 0.33079 1.0000 + Sn Sn159 1.0 0.59375 0.87500 0.33079 1.0000 + Sn Sn160 1.0 0.59375 0.93750 0.33079 1.0000 + Sn Sn161 1.0 0.65625 0.00000 0.33079 1.0000 + Sn Sn162 1.0 0.65625 0.06250 0.33079 1.0000 + Sn Sn163 1.0 0.65625 0.12500 0.33079 1.0000 + Sn Sn164 1.0 0.65625 0.18750 0.33079 1.0000 + Sn Sn165 1.0 0.65625 0.25000 0.33079 1.0000 + Sn Sn166 1.0 0.65625 0.31250 0.33079 1.0000 + Sn Sn167 1.0 0.65625 0.37500 0.33079 1.0000 + Sn Sn168 1.0 0.65625 0.43750 0.33079 1.0000 + Sn Sn169 1.0 0.65625 0.50000 0.33079 1.0000 + Sn Sn170 1.0 0.65625 0.56250 0.33079 1.0000 + Sn Sn171 1.0 0.65625 0.62500 0.33079 1.0000 + Sn Sn172 1.0 0.65625 0.68750 0.33079 1.0000 + Sn Sn173 1.0 0.65625 0.75000 0.33079 1.0000 + Sn Sn174 1.0 0.65625 0.81250 0.33079 1.0000 + Sn Sn175 1.0 0.65625 0.87500 0.33079 1.0000 + Sn Sn176 1.0 0.65625 0.93750 0.33079 1.0000 + Sn Sn177 1.0 0.71875 0.00000 0.33079 1.0000 + Sn Sn178 1.0 0.71875 0.06250 0.33079 1.0000 + Sn Sn179 1.0 0.71875 0.12500 0.33079 1.0000 + Sn Sn180 1.0 0.71875 0.18750 0.33079 1.0000 + Sn Sn181 1.0 0.71875 0.25000 0.33079 1.0000 + Sn Sn182 1.0 0.71875 0.31250 0.33079 1.0000 + Sn Sn183 1.0 0.71875 0.37500 0.33079 1.0000 + Sn Sn184 1.0 0.71875 0.43750 0.33079 1.0000 + Sn Sn185 1.0 0.71875 0.50000 0.33079 1.0000 + Sn Sn186 1.0 0.71875 0.56250 0.33079 1.0000 + Sn Sn187 1.0 0.71875 0.62500 0.33079 1.0000 + Sn Sn188 1.0 0.71875 0.68750 0.33079 1.0000 + Sn Sn189 1.0 0.71875 0.75000 0.33079 1.0000 + Sn Sn190 1.0 0.71875 0.81250 0.33079 1.0000 + Sn Sn191 1.0 0.71875 0.87500 0.33079 1.0000 + Sn Sn192 1.0 0.71875 0.93750 0.33079 1.0000 + Sn Sn193 1.0 0.78125 0.00000 0.33079 1.0000 + Sn Sn194 1.0 0.78125 0.06250 0.33079 1.0000 + Sn Sn195 1.0 0.78125 0.12500 0.33079 1.0000 + Sn Sn196 1.0 0.78125 0.18750 0.33079 1.0000 + Sn Sn197 1.0 0.78125 0.25000 0.33079 1.0000 + Sn Sn198 1.0 0.78125 0.31250 0.33079 1.0000 + Sn Sn199 1.0 0.78125 0.37500 0.33079 1.0000 + Sn Sn200 1.0 0.78125 0.43750 0.33079 1.0000 + Sn Sn201 1.0 0.78125 0.50000 0.33079 1.0000 + Sn Sn202 1.0 0.78125 0.56250 0.33079 1.0000 + Sn Sn203 1.0 0.78125 0.62500 0.33079 1.0000 + Sn Sn204 1.0 0.78125 0.68750 0.33079 1.0000 + Sn Sn205 1.0 0.78125 0.75000 0.33079 1.0000 + Sn Sn206 1.0 0.78125 0.81250 0.33079 1.0000 + Sn Sn207 1.0 0.78125 0.87500 0.33079 1.0000 + Sn Sn208 1.0 0.78125 0.93750 0.33079 1.0000 + Sn Sn209 1.0 0.84375 0.00000 0.33079 1.0000 + Sn Sn210 1.0 0.84375 0.06250 0.33079 1.0000 + Sn Sn211 1.0 0.84375 0.12500 0.33079 1.0000 + Sn Sn212 1.0 0.84375 0.18750 0.33079 1.0000 + Sn Sn213 1.0 0.84375 0.25000 0.33079 1.0000 + Sn Sn214 1.0 0.84375 0.31250 0.33079 1.0000 + Sn Sn215 1.0 0.84375 0.37500 0.33079 1.0000 + Sn Sn216 1.0 0.84375 0.43750 0.33079 1.0000 + Sn Sn217 1.0 0.84375 0.50000 0.33079 1.0000 + Sn Sn218 1.0 0.84375 0.56250 0.33079 1.0000 + Sn Sn219 1.0 0.84375 0.62500 0.33079 1.0000 + Sn Sn220 1.0 0.84375 0.68750 0.33079 1.0000 + Sn Sn221 1.0 0.84375 0.75000 0.33079 1.0000 + Sn Sn222 1.0 0.84375 0.81250 0.33079 1.0000 + Sn Sn223 1.0 0.84375 0.87500 0.33079 1.0000 + Sn Sn224 1.0 0.84375 0.93750 0.33079 1.0000 + Sn Sn225 1.0 0.90625 0.00000 0.33079 1.0000 + Sn Sn226 1.0 0.90625 0.06250 0.33079 1.0000 + Sn Sn227 1.0 0.90625 0.12500 0.33079 1.0000 + Sn Sn228 1.0 0.90625 0.18750 0.33079 1.0000 + Sn Sn229 1.0 0.90625 0.25000 0.33079 1.0000 + Sn Sn230 1.0 0.90625 0.31250 0.33079 1.0000 + Sn Sn231 1.0 0.90625 0.37500 0.33079 1.0000 + Sn Sn232 1.0 0.90625 0.43750 0.33079 1.0000 + Sn Sn233 1.0 0.90625 0.50000 0.33079 1.0000 + Sn Sn234 1.0 0.90625 0.56250 0.33079 1.0000 + Sn Sn235 1.0 0.90625 0.62500 0.33079 1.0000 + Sn Sn236 1.0 0.90625 0.68750 0.33079 1.0000 + Sn Sn237 1.0 0.90625 0.75000 0.33079 1.0000 + Sn Sn238 1.0 0.90625 0.81250 0.33079 1.0000 + Sn Sn239 1.0 0.90625 0.87500 0.33079 1.0000 + Sn Sn240 1.0 0.90625 0.93750 0.33079 1.0000 + Sn Sn241 1.0 0.96875 0.00000 0.33079 1.0000 + Sn Sn242 1.0 0.96875 0.06250 0.33079 1.0000 + Sn Sn243 1.0 0.96875 0.12500 0.33079 1.0000 + Sn Sn244 1.0 0.96875 0.18750 0.33079 1.0000 + Sn Sn245 1.0 0.96875 0.25000 0.33079 1.0000 + Sn Sn246 1.0 0.96875 0.31250 0.33079 1.0000 + Sn Sn247 1.0 0.96875 0.37500 0.33079 1.0000 + Sn Sn248 1.0 0.96875 0.43750 0.33079 1.0000 + Sn Sn249 1.0 0.96875 0.50000 0.33079 1.0000 + Sn Sn250 1.0 0.96875 0.56250 0.33079 1.0000 + Sn Sn251 1.0 0.96875 0.62500 0.33079 1.0000 + Sn Sn252 1.0 0.96875 0.68750 0.33079 1.0000 + Sn Sn253 1.0 0.96875 0.75000 0.33079 1.0000 + Sn Sn254 1.0 0.96875 0.81250 0.33079 1.0000 + Sn Sn255 1.0 0.96875 0.87500 0.33079 1.0000 + Sn Sn256 1.0 0.96875 0.93750 0.33079 1.0000 + Sn Sn257 1.0 0.00000 0.03125 0.66921 1.0000 + Sn Sn258 1.0 0.00000 0.09375 0.66921 1.0000 + Sn Sn259 1.0 0.00000 0.15625 0.66921 1.0000 + Sn Sn260 1.0 0.00000 0.21875 0.66921 1.0000 + Sn Sn261 1.0 0.00000 0.28125 0.66921 1.0000 + Sn Sn262 1.0 0.00000 0.34375 0.66921 1.0000 + Sn Sn263 1.0 0.00000 0.40625 0.66921 1.0000 + Sn Sn264 1.0 0.00000 0.46875 0.66921 1.0000 + Sn Sn265 1.0 0.00000 0.53125 0.66921 1.0000 + Sn Sn266 1.0 0.00000 0.59375 0.66921 1.0000 + Sn Sn267 1.0 0.00000 0.65625 0.66921 1.0000 + Sn Sn268 1.0 0.00000 0.71875 0.66921 1.0000 + Sn Sn269 1.0 0.00000 0.78125 0.66921 1.0000 + Sn Sn270 1.0 0.00000 0.84375 0.66921 1.0000 + Sn Sn271 1.0 0.00000 0.90625 0.66921 1.0000 + Sn Sn272 1.0 0.00000 0.96875 0.66921 1.0000 + Sn Sn273 1.0 0.06250 0.03125 0.66921 1.0000 + Sn Sn274 1.0 0.06250 0.09375 0.66921 1.0000 + Sn Sn275 1.0 0.06250 0.15625 0.66921 1.0000 + Sn Sn276 1.0 0.06250 0.21875 0.66921 1.0000 + Sn Sn277 1.0 0.06250 0.28125 0.66921 1.0000 + Sn Sn278 1.0 0.06250 0.34375 0.66921 1.0000 + Sn Sn279 1.0 0.06250 0.40625 0.66921 1.0000 + Sn Sn280 1.0 0.06250 0.46875 0.66921 1.0000 + Sn Sn281 1.0 0.06250 0.53125 0.66921 1.0000 + Sn Sn282 1.0 0.06250 0.59375 0.66921 1.0000 + Sn Sn283 1.0 0.06250 0.65625 0.66921 1.0000 + Sn Sn284 1.0 0.06250 0.71875 0.66921 1.0000 + Sn Sn285 1.0 0.06250 0.78125 0.66921 1.0000 + Sn Sn286 1.0 0.06250 0.84375 0.66921 1.0000 + Sn Sn287 1.0 0.06250 0.90625 0.66921 1.0000 + Sn Sn288 1.0 0.06250 0.96875 0.66921 1.0000 + Sn Sn289 1.0 0.12500 0.03125 0.66921 1.0000 + Sn Sn290 1.0 0.12500 0.09375 0.66921 1.0000 + Sn Sn291 1.0 0.12500 0.15625 0.66921 1.0000 + Sn Sn292 1.0 0.12500 0.21875 0.66921 1.0000 + Sn Sn293 1.0 0.12500 0.28125 0.66921 1.0000 + Sn Sn294 1.0 0.12500 0.34375 0.66921 1.0000 + Sn Sn295 1.0 0.12500 0.40625 0.66921 1.0000 + Sn Sn296 1.0 0.12500 0.46875 0.66921 1.0000 + Sn Sn297 1.0 0.12500 0.53125 0.66921 1.0000 + Sn Sn298 1.0 0.12500 0.59375 0.66921 1.0000 + Sn Sn299 1.0 0.12500 0.65625 0.66921 1.0000 + Sn Sn300 1.0 0.12500 0.71875 0.66921 1.0000 + Sn Sn301 1.0 0.12500 0.78125 0.66921 1.0000 + Sn Sn302 1.0 0.12500 0.84375 0.66921 1.0000 + Sn Sn303 1.0 0.12500 0.90625 0.66921 1.0000 + Sn Sn304 1.0 0.12500 0.96875 0.66921 1.0000 + Sn Sn305 1.0 0.18750 0.03125 0.66921 1.0000 + Sn Sn306 1.0 0.18750 0.09375 0.66921 1.0000 + Sn Sn307 1.0 0.18750 0.15625 0.66921 1.0000 + Sn Sn308 1.0 0.18750 0.21875 0.66921 1.0000 + Sn Sn309 1.0 0.18750 0.28125 0.66921 1.0000 + Sn Sn310 1.0 0.18750 0.34375 0.66921 1.0000 + Sn Sn311 1.0 0.18750 0.40625 0.66921 1.0000 + Sn Sn312 1.0 0.18750 0.46875 0.66921 1.0000 + Sn Sn313 1.0 0.18750 0.53125 0.66921 1.0000 + Sn Sn314 1.0 0.18750 0.59375 0.66921 1.0000 + Sn Sn315 1.0 0.18750 0.65625 0.66921 1.0000 + Sn Sn316 1.0 0.18750 0.71875 0.66921 1.0000 + Sn Sn317 1.0 0.18750 0.78125 0.66921 1.0000 + Sn Sn318 1.0 0.18750 0.84375 0.66921 1.0000 + Sn Sn319 1.0 0.18750 0.90625 0.66921 1.0000 + Sn Sn320 1.0 0.18750 0.96875 0.66921 1.0000 + Sn Sn321 1.0 0.25000 0.03125 0.66921 1.0000 + Sn Sn322 1.0 0.25000 0.09375 0.66921 1.0000 + Sn Sn323 1.0 0.25000 0.15625 0.66921 1.0000 + Sn Sn324 1.0 0.25000 0.21875 0.66921 1.0000 + Sn Sn325 1.0 0.25000 0.28125 0.66921 1.0000 + Sn Sn326 1.0 0.25000 0.34375 0.66921 1.0000 + Sn Sn327 1.0 0.25000 0.40625 0.66921 1.0000 + Sn Sn328 1.0 0.25000 0.46875 0.66921 1.0000 + Sn Sn329 1.0 0.25000 0.53125 0.66921 1.0000 + Sn Sn330 1.0 0.25000 0.59375 0.66921 1.0000 + Sn Sn331 1.0 0.25000 0.65625 0.66921 1.0000 + Sn Sn332 1.0 0.25000 0.71875 0.66921 1.0000 + Sn Sn333 1.0 0.25000 0.78125 0.66921 1.0000 + Sn Sn334 1.0 0.25000 0.84375 0.66921 1.0000 + Sn Sn335 1.0 0.25000 0.90625 0.66921 1.0000 + Sn Sn336 1.0 0.25000 0.96875 0.66921 1.0000 + Sn Sn337 1.0 0.31250 0.03125 0.66921 1.0000 + Sn Sn338 1.0 0.31250 0.09375 0.66921 1.0000 + Sn Sn339 1.0 0.31250 0.15625 0.66921 1.0000 + Sn Sn340 1.0 0.31250 0.21875 0.66921 1.0000 + Sn Sn341 1.0 0.31250 0.28125 0.66921 1.0000 + Sn Sn342 1.0 0.31250 0.34375 0.66921 1.0000 + Sn Sn343 1.0 0.31250 0.40625 0.66921 1.0000 + Sn Sn344 1.0 0.31250 0.46875 0.66921 1.0000 + Sn Sn345 1.0 0.31250 0.53125 0.66921 1.0000 + Sn Sn346 1.0 0.31250 0.59375 0.66921 1.0000 + Sn Sn347 1.0 0.31250 0.65625 0.66921 1.0000 + Sn Sn348 1.0 0.31250 0.71875 0.66921 1.0000 + Sn Sn349 1.0 0.31250 0.78125 0.66921 1.0000 + Sn Sn350 1.0 0.31250 0.84375 0.66921 1.0000 + Sn Sn351 1.0 0.31250 0.90625 0.66921 1.0000 + Sn Sn352 1.0 0.31250 0.96875 0.66921 1.0000 + Sn Sn353 1.0 0.37500 0.03125 0.66921 1.0000 + Sn Sn354 1.0 0.37500 0.09375 0.66921 1.0000 + Sn Sn355 1.0 0.37500 0.15625 0.66921 1.0000 + Sn Sn356 1.0 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O1652 1.0 0.03094 0.59503 0.42758 1.0000 + O O1653 1.0 0.07261 0.63669 0.42758 1.0000 + O O1654 1.0 0.11428 0.67836 0.42758 1.0000 + O O1655 1.0 0.15594 0.72003 0.42758 1.0000 + O O1656 1.0 0.19761 0.76169 0.42758 1.0000 + O O1657 1.0 0.78094 0.26169 0.42758 1.0000 + O O1658 1.0 0.82261 0.30336 0.42758 1.0000 + O O1659 1.0 0.86428 0.34503 0.42758 1.0000 + O O1660 1.0 0.90594 0.38669 0.42758 1.0000 + O O1661 1.0 0.94761 0.42836 0.42758 1.0000 + O O1662 1.0 0.98928 0.47003 0.42758 1.0000 + O O1663 1.0 0.03094 0.51169 0.42758 1.0000 + O O1664 1.0 0.07261 0.55336 0.42758 1.0000 + O O1665 1.0 0.11428 0.59503 0.42758 1.0000 + O O1666 1.0 0.15594 0.63669 0.42758 1.0000 + O O1667 1.0 0.19761 0.67836 0.42758 1.0000 + O O1668 1.0 0.23928 0.72003 0.42758 1.0000 + O O1669 1.0 0.82261 0.22003 0.42758 1.0000 + O O1670 1.0 0.86428 0.26169 0.42758 1.0000 + O O1671 1.0 0.90594 0.30336 0.42758 1.0000 + O O1672 1.0 0.94761 0.34503 0.42758 1.0000 + O O1673 1.0 0.98928 0.38669 0.42758 1.0000 + O O1674 1.0 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0.42758 1.0000 + O O1719 1.0 0.07261 0.13669 0.42758 1.0000 + O O1720 1.0 0.11428 0.17836 0.42758 1.0000 + O O1721 1.0 0.15594 0.22003 0.42758 1.0000 + O O1722 1.0 0.19761 0.26169 0.42758 1.0000 + O O1723 1.0 0.23928 0.30336 0.42758 1.0000 + O O1724 1.0 0.28094 0.34503 0.42758 1.0000 + O O1725 1.0 0.32261 0.38669 0.42758 1.0000 + O O1726 1.0 0.36428 0.42836 0.42758 1.0000 + O O1727 1.0 0.40594 0.47003 0.42758 1.0000 + O O1728 1.0 0.44761 0.51169 0.42758 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4821_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4821_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..624854bc178190abee6d3a6df4df454755dad50a --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4821_supercell_12x12x1.cif @@ -0,0 +1,1465 @@ +data_image0 +_chemical_formula_structural As576S864 +_chemical_formula_sum "As576 S864" +_cell_length_a 52.8661 +_cell_length_b 136.967 +_cell_length_c 6.71935 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + As As1 1.0 0.07070 0.00157 0.61084 1.0000 + As As2 1.0 0.07070 0.08490 0.61084 1.0000 + As As3 1.0 0.07070 0.16823 0.61084 1.0000 + As As4 1.0 0.07070 0.25157 0.61084 1.0000 + As As5 1.0 0.07070 0.33490 0.61084 1.0000 + As As6 1.0 0.07070 0.41823 0.61084 1.0000 + As As7 1.0 0.07070 0.50157 0.61084 1.0000 + As As8 1.0 0.07070 0.58490 0.61084 1.0000 + As As9 1.0 0.07070 0.66823 0.61084 1.0000 + As As10 1.0 0.07070 0.75157 0.61084 1.0000 + As As11 1.0 0.07070 0.83490 0.61084 1.0000 + As As12 1.0 0.07070 0.91823 0.61084 1.0000 + As As13 1.0 0.15404 0.00157 0.61084 1.0000 + As As14 1.0 0.15404 0.08490 0.61084 1.0000 + As As15 1.0 0.15404 0.16823 0.61084 1.0000 + As As16 1.0 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0000000000000000000000000000000000000000..b70c2b13499d7957017413ca71df0056bd7c7018 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4824_supercell_16x16x1.cif @@ -0,0 +1,2585 @@ +data_image0 +_chemical_formula_structural Li256Sn256Cl768Li256Sn256Cl768 +_chemical_formula_sum "Li512 Sn512 Cl1536" +_cell_length_a 181.992 +_cell_length_b 105.073 +_cell_length_c 5.62015 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Li Li1 1.0 0.02083 0.00000 0.64414 1.0000 + Li Li2 1.0 0.05208 0.03125 0.64414 1.0000 + Li Li3 1.0 0.08333 0.06250 0.64414 1.0000 + Li Li4 1.0 0.11458 0.09375 0.64414 1.0000 + Li Li5 1.0 0.14583 0.12500 0.64414 1.0000 + Li Li6 1.0 0.17708 0.15625 0.64414 1.0000 + Li Li7 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0.15625 0.03125 0.35586 1.0000 + Sn Sn37 1.0 0.18750 0.06250 0.35586 1.0000 + Sn Sn38 1.0 0.21875 0.09375 0.35586 1.0000 + Sn Sn39 1.0 0.25000 0.12500 0.35586 1.0000 + Sn Sn40 1.0 0.28125 0.15625 0.35586 1.0000 + Sn Sn41 1.0 0.31250 0.18750 0.35586 1.0000 + Sn Sn42 1.0 0.34375 0.21875 0.35586 1.0000 + Sn Sn43 1.0 0.37500 0.25000 0.35586 1.0000 + Sn Sn44 1.0 0.40625 0.28125 0.35586 1.0000 + Sn Sn45 1.0 0.43750 0.31250 0.35586 1.0000 + Sn Sn46 1.0 0.46875 0.34375 0.35586 1.0000 + Sn Sn47 1.0 0.50000 0.37500 0.35586 1.0000 + Sn Sn48 1.0 0.53125 0.40625 0.35586 1.0000 + Sn Sn49 1.0 0.09375 0.90625 0.35586 1.0000 + Sn Sn50 1.0 0.12500 0.93750 0.35586 1.0000 + Sn Sn51 1.0 0.15625 0.96875 0.35586 1.0000 + Sn Sn52 1.0 0.18750 0.00000 0.35586 1.0000 + Sn Sn53 1.0 0.21875 0.03125 0.35586 1.0000 + Sn Sn54 1.0 0.25000 0.06250 0.35586 1.0000 + Sn Sn55 1.0 0.28125 0.09375 0.35586 1.0000 + Sn Sn56 1.0 0.31250 0.12500 0.35586 1.0000 + Sn Sn57 1.0 0.34375 0.15625 0.35586 1.0000 + Sn Sn58 1.0 0.37500 0.18750 0.35586 1.0000 + Sn Sn59 1.0 0.40625 0.21875 0.35586 1.0000 + Sn Sn60 1.0 0.43750 0.25000 0.35586 1.0000 + Sn Sn61 1.0 0.46875 0.28125 0.35586 1.0000 + Sn Sn62 1.0 0.50000 0.31250 0.35586 1.0000 + Sn Sn63 1.0 0.53125 0.34375 0.35586 1.0000 + Sn Sn64 1.0 0.56250 0.37500 0.35586 1.0000 + Sn Sn65 1.0 0.12500 0.87500 0.35586 1.0000 + Sn Sn66 1.0 0.15625 0.90625 0.35586 1.0000 + Sn Sn67 1.0 0.18750 0.93750 0.35586 1.0000 + Sn Sn68 1.0 0.21875 0.96875 0.35586 1.0000 + Sn Sn69 1.0 0.25000 0.00000 0.35586 1.0000 + Sn Sn70 1.0 0.28125 0.03125 0.35586 1.0000 + Sn Sn71 1.0 0.31250 0.06250 0.35586 1.0000 + Sn Sn72 1.0 0.34375 0.09375 0.35586 1.0000 + Sn Sn73 1.0 0.37500 0.12500 0.35586 1.0000 + Sn Sn74 1.0 0.40625 0.15625 0.35586 1.0000 + Sn Sn75 1.0 0.43750 0.18750 0.35586 1.0000 + Sn Sn76 1.0 0.46875 0.21875 0.35586 1.0000 + Sn Sn77 1.0 0.50000 0.25000 0.35586 1.0000 + Sn Sn78 1.0 0.53125 0.28125 0.35586 1.0000 + Sn Sn79 1.0 0.56250 0.31250 0.35586 1.0000 + Sn Sn80 1.0 0.59375 0.34375 0.35586 1.0000 + Sn Sn81 1.0 0.15625 0.84375 0.35586 1.0000 + Sn Sn82 1.0 0.18750 0.87500 0.35586 1.0000 + Sn Sn83 1.0 0.21875 0.90625 0.35586 1.0000 + Sn Sn84 1.0 0.25000 0.93750 0.35586 1.0000 + Sn Sn85 1.0 0.28125 0.96875 0.35586 1.0000 + Sn Sn86 1.0 0.31250 0.00000 0.35586 1.0000 + Sn Sn87 1.0 0.34375 0.03125 0.35586 1.0000 + Sn Sn88 1.0 0.37500 0.06250 0.35586 1.0000 + Sn Sn89 1.0 0.40625 0.09375 0.35586 1.0000 + Sn Sn90 1.0 0.43750 0.12500 0.35586 1.0000 + Sn Sn91 1.0 0.46875 0.15625 0.35586 1.0000 + Sn Sn92 1.0 0.50000 0.18750 0.35586 1.0000 + Sn Sn93 1.0 0.53125 0.21875 0.35586 1.0000 + Sn Sn94 1.0 0.56250 0.25000 0.35586 1.0000 + Sn Sn95 1.0 0.59375 0.28125 0.35586 1.0000 + Sn Sn96 1.0 0.62500 0.31250 0.35586 1.0000 + Sn Sn97 1.0 0.18750 0.81250 0.35586 1.0000 + Sn Sn98 1.0 0.21875 0.84375 0.35586 1.0000 + Sn Sn99 1.0 0.25000 0.87500 0.35586 1.0000 + Sn Sn100 1.0 0.28125 0.90625 0.35586 1.0000 + Sn Sn101 1.0 0.31250 0.93750 0.35586 1.0000 + Sn Sn102 1.0 0.34375 0.96875 0.35586 1.0000 + Sn Sn103 1.0 0.37500 0.00000 0.35586 1.0000 + Sn Sn104 1.0 0.40625 0.03125 0.35586 1.0000 + Sn Sn105 1.0 0.43750 0.06250 0.35586 1.0000 + Sn Sn106 1.0 0.46875 0.09375 0.35586 1.0000 + Sn Sn107 1.0 0.50000 0.12500 0.35586 1.0000 + Sn Sn108 1.0 0.53125 0.15625 0.35586 1.0000 + Sn Sn109 1.0 0.56250 0.18750 0.35586 1.0000 + Sn Sn110 1.0 0.59375 0.21875 0.35586 1.0000 + Sn Sn111 1.0 0.62500 0.25000 0.35586 1.0000 + Sn Sn112 1.0 0.65625 0.28125 0.35586 1.0000 + Sn Sn113 1.0 0.21875 0.78125 0.35586 1.0000 + Sn Sn114 1.0 0.25000 0.81250 0.35586 1.0000 + Sn Sn115 1.0 0.28125 0.84375 0.35586 1.0000 + Sn Sn116 1.0 0.31250 0.87500 0.35586 1.0000 + Sn Sn117 1.0 0.34375 0.90625 0.35586 1.0000 + Sn Sn118 1.0 0.37500 0.93750 0.35586 1.0000 + Sn Sn119 1.0 0.40625 0.96875 0.35586 1.0000 + Sn Sn120 1.0 0.43750 0.00000 0.35586 1.0000 + Sn Sn121 1.0 0.46875 0.03125 0.35586 1.0000 + Sn Sn122 1.0 0.50000 0.06250 0.35586 1.0000 + Sn Sn123 1.0 0.53125 0.09375 0.35586 1.0000 + Sn Sn124 1.0 0.56250 0.12500 0.35586 1.0000 + Sn Sn125 1.0 0.59375 0.15625 0.35586 1.0000 + Sn Sn126 1.0 0.62500 0.18750 0.35586 1.0000 + Sn Sn127 1.0 0.65625 0.21875 0.35586 1.0000 + Sn Sn128 1.0 0.68750 0.25000 0.35586 1.0000 + Sn Sn129 1.0 0.25000 0.75000 0.35586 1.0000 + Sn Sn130 1.0 0.28125 0.78125 0.35586 1.0000 + Sn Sn131 1.0 0.31250 0.81250 0.35586 1.0000 + Sn Sn132 1.0 0.34375 0.84375 0.35586 1.0000 + Sn Sn133 1.0 0.37500 0.87500 0.35586 1.0000 + Sn Sn134 1.0 0.40625 0.90625 0.35586 1.0000 + Sn Sn135 1.0 0.43750 0.93750 0.35586 1.0000 + Sn Sn136 1.0 0.46875 0.96875 0.35586 1.0000 + Sn Sn137 1.0 0.50000 0.00000 0.35586 1.0000 + Sn Sn138 1.0 0.53125 0.03125 0.35586 1.0000 + Sn Sn139 1.0 0.56250 0.06250 0.35586 1.0000 + Sn Sn140 1.0 0.59375 0.09375 0.35586 1.0000 + Sn Sn141 1.0 0.62500 0.12500 0.35586 1.0000 + Sn Sn142 1.0 0.65625 0.15625 0.35586 1.0000 + Sn Sn143 1.0 0.68750 0.18750 0.35586 1.0000 + Sn Sn144 1.0 0.71875 0.21875 0.35586 1.0000 + Sn Sn145 1.0 0.28125 0.71875 0.35586 1.0000 + Sn Sn146 1.0 0.31250 0.75000 0.35586 1.0000 + Sn Sn147 1.0 0.34375 0.78125 0.35586 1.0000 + Sn Sn148 1.0 0.37500 0.81250 0.35586 1.0000 + Sn Sn149 1.0 0.40625 0.84375 0.35586 1.0000 + Sn Sn150 1.0 0.43750 0.87500 0.35586 1.0000 + Sn Sn151 1.0 0.46875 0.90625 0.35586 1.0000 + Sn Sn152 1.0 0.50000 0.93750 0.35586 1.0000 + Sn Sn153 1.0 0.53125 0.96875 0.35586 1.0000 + Sn Sn154 1.0 0.56250 1.00000 0.35586 1.0000 + Sn Sn155 1.0 0.59375 0.03125 0.35586 1.0000 + Sn Sn156 1.0 0.62500 0.06250 0.35586 1.0000 + Sn Sn157 1.0 0.65625 0.09375 0.35586 1.0000 + Sn Sn158 1.0 0.68750 0.12500 0.35586 1.0000 + Sn Sn159 1.0 0.71875 0.15625 0.35586 1.0000 + Sn Sn160 1.0 0.75000 0.18750 0.35586 1.0000 + Sn Sn161 1.0 0.31250 0.68750 0.35586 1.0000 + Sn Sn162 1.0 0.34375 0.71875 0.35586 1.0000 + Sn Sn163 1.0 0.37500 0.75000 0.35586 1.0000 + Sn Sn164 1.0 0.40625 0.78125 0.35586 1.0000 + Sn Sn165 1.0 0.43750 0.81250 0.35586 1.0000 + Sn Sn166 1.0 0.46875 0.84375 0.35586 1.0000 + Sn Sn167 1.0 0.50000 0.87500 0.35586 1.0000 + Sn Sn168 1.0 0.53125 0.90625 0.35586 1.0000 + Sn Sn169 1.0 0.56250 0.93750 0.35586 1.0000 + Sn Sn170 1.0 0.59375 0.96875 0.35586 1.0000 + Sn Sn171 1.0 0.62500 1.00000 0.35586 1.0000 + Sn Sn172 1.0 0.65625 0.03125 0.35586 1.0000 + Sn Sn173 1.0 0.68750 0.06250 0.35586 1.0000 + Sn Sn174 1.0 0.71875 0.09375 0.35586 1.0000 + Sn Sn175 1.0 0.75000 0.12500 0.35586 1.0000 + Sn Sn176 1.0 0.78125 0.15625 0.35586 1.0000 + Sn Sn177 1.0 0.34375 0.65625 0.35586 1.0000 + Sn Sn178 1.0 0.37500 0.68750 0.35586 1.0000 + Sn Sn179 1.0 0.40625 0.71875 0.35586 1.0000 + Sn Sn180 1.0 0.43750 0.75000 0.35586 1.0000 + Sn Sn181 1.0 0.46875 0.78125 0.35586 1.0000 + Sn Sn182 1.0 0.50000 0.81250 0.35586 1.0000 + Sn Sn183 1.0 0.53125 0.84375 0.35586 1.0000 + Sn Sn184 1.0 0.56250 0.87500 0.35586 1.0000 + Sn Sn185 1.0 0.59375 0.90625 0.35586 1.0000 + Sn Sn186 1.0 0.62500 0.93750 0.35586 1.0000 + Sn Sn187 1.0 0.65625 0.96875 0.35586 1.0000 + Sn Sn188 1.0 0.68750 0.00000 0.35586 1.0000 + Sn Sn189 1.0 0.71875 0.03125 0.35586 1.0000 + Sn Sn190 1.0 0.75000 0.06250 0.35586 1.0000 + Sn Sn191 1.0 0.78125 0.09375 0.35586 1.0000 + Sn Sn192 1.0 0.81250 0.12500 0.35586 1.0000 + Sn Sn193 1.0 0.37500 0.62500 0.35586 1.0000 + Sn Sn194 1.0 0.40625 0.65625 0.35586 1.0000 + Sn Sn195 1.0 0.43750 0.68750 0.35586 1.0000 + Sn Sn196 1.0 0.46875 0.71875 0.35586 1.0000 + Sn Sn197 1.0 0.50000 0.75000 0.35586 1.0000 + Sn Sn198 1.0 0.53125 0.78125 0.35586 1.0000 + Sn Sn199 1.0 0.56250 0.81250 0.35586 1.0000 + Sn Sn200 1.0 0.59375 0.84375 0.35586 1.0000 + Sn Sn201 1.0 0.62500 0.87500 0.35586 1.0000 + Sn Sn202 1.0 0.65625 0.90625 0.35586 1.0000 + Sn Sn203 1.0 0.68750 0.93750 0.35586 1.0000 + Sn Sn204 1.0 0.71875 0.96875 0.35586 1.0000 + Sn Sn205 1.0 0.75000 0.00000 0.35586 1.0000 + Sn Sn206 1.0 0.78125 0.03125 0.35586 1.0000 + Sn Sn207 1.0 0.81250 0.06250 0.35586 1.0000 + Sn Sn208 1.0 0.84375 0.09375 0.35586 1.0000 + Sn Sn209 1.0 0.40625 0.59375 0.35586 1.0000 + Sn Sn210 1.0 0.43750 0.62500 0.35586 1.0000 + Sn Sn211 1.0 0.46875 0.65625 0.35586 1.0000 + Sn Sn212 1.0 0.50000 0.68750 0.35586 1.0000 + Sn Sn213 1.0 0.53125 0.71875 0.35586 1.0000 + Sn Sn214 1.0 0.56250 0.75000 0.35586 1.0000 + Sn Sn215 1.0 0.59375 0.78125 0.35586 1.0000 + Sn Sn216 1.0 0.62500 0.81250 0.35586 1.0000 + Sn Sn217 1.0 0.65625 0.84375 0.35586 1.0000 + Sn Sn218 1.0 0.68750 0.87500 0.35586 1.0000 + Sn Sn219 1.0 0.71875 0.90625 0.35586 1.0000 + Sn Sn220 1.0 0.75000 0.93750 0.35586 1.0000 + Sn Sn221 1.0 0.78125 0.96875 0.35586 1.0000 + Sn Sn222 1.0 0.81250 0.00000 0.35586 1.0000 + Sn Sn223 1.0 0.84375 0.03125 0.35586 1.0000 + Sn Sn224 1.0 0.87500 0.06250 0.35586 1.0000 + Sn Sn225 1.0 0.43750 0.56250 0.35586 1.0000 + Sn Sn226 1.0 0.46875 0.59375 0.35586 1.0000 + Sn Sn227 1.0 0.50000 0.62500 0.35586 1.0000 + Sn Sn228 1.0 0.53125 0.65625 0.35586 1.0000 + Sn Sn229 1.0 0.56250 0.68750 0.35586 1.0000 + Sn Sn230 1.0 0.59375 0.71875 0.35586 1.0000 + Sn Sn231 1.0 0.62500 0.75000 0.35586 1.0000 + Sn Sn232 1.0 0.65625 0.78125 0.35586 1.0000 + Sn Sn233 1.0 0.68750 0.81250 0.35586 1.0000 + Sn Sn234 1.0 0.71875 0.84375 0.35586 1.0000 + Sn Sn235 1.0 0.75000 0.87500 0.35586 1.0000 + Sn Sn236 1.0 0.78125 0.90625 0.35586 1.0000 + Sn Sn237 1.0 0.81250 0.93750 0.35586 1.0000 + Sn Sn238 1.0 0.84375 0.96875 0.35586 1.0000 + Sn Sn239 1.0 0.87500 0.00000 0.35586 1.0000 + Sn Sn240 1.0 0.90625 0.03125 0.35586 1.0000 + Sn Sn241 1.0 0.46875 0.53125 0.35586 1.0000 + Sn Sn242 1.0 0.50000 0.56250 0.35586 1.0000 + Sn Sn243 1.0 0.53125 0.59375 0.35586 1.0000 + Sn Sn244 1.0 0.56250 0.62500 0.35586 1.0000 + Sn Sn245 1.0 0.59375 0.65625 0.35586 1.0000 + Sn Sn246 1.0 0.62500 0.68750 0.35586 1.0000 + Sn Sn247 1.0 0.65625 0.71875 0.35586 1.0000 + Sn Sn248 1.0 0.68750 0.75000 0.35586 1.0000 + Sn Sn249 1.0 0.71875 0.78125 0.35586 1.0000 + Sn Sn250 1.0 0.75000 0.81250 0.35586 1.0000 + Sn Sn251 1.0 0.78125 0.84375 0.35586 1.0000 + Sn Sn252 1.0 0.81250 0.87500 0.35586 1.0000 + Sn Sn253 1.0 0.84375 0.90625 0.35586 1.0000 + Sn Sn254 1.0 0.87500 0.93750 0.35586 1.0000 + Sn Sn255 1.0 0.90625 0.96875 0.35586 1.0000 + Sn Sn256 1.0 0.93750 0.00000 0.35586 1.0000 + Cl Cl1 1.0 0.04114 0.97951 0.59797 1.0000 + Cl Cl2 1.0 0.07239 0.01076 0.59797 1.0000 + Cl Cl3 1.0 0.10364 0.04201 0.59797 1.0000 + Cl Cl4 1.0 0.13489 0.07326 0.59797 1.0000 + Cl Cl5 1.0 0.16614 0.10451 0.59797 1.0000 + Cl Cl6 1.0 0.19739 0.13576 0.59797 1.0000 + Cl Cl7 1.0 0.22864 0.16701 0.59797 1.0000 + Cl Cl8 1.0 0.25989 0.19826 0.59797 1.0000 + Cl Cl9 1.0 0.29114 0.22951 0.59797 1.0000 + Cl Cl10 1.0 0.32239 0.26076 0.59797 1.0000 + Cl Cl11 1.0 0.35364 0.29201 0.59797 1.0000 + Cl Cl12 1.0 0.38489 0.32326 0.59797 1.0000 + Cl Cl13 1.0 0.41614 0.35451 0.59797 1.0000 + Cl Cl14 1.0 0.44739 0.38576 0.59797 1.0000 + Cl Cl15 1.0 0.47864 0.41701 0.59797 1.0000 + Cl Cl16 1.0 0.50989 0.44826 0.59797 1.0000 + Cl Cl17 1.0 0.07239 0.94826 0.59797 1.0000 + Cl Cl18 1.0 0.10364 0.97951 0.59797 1.0000 + Cl Cl19 1.0 0.13489 0.01076 0.59797 1.0000 + Cl Cl20 1.0 0.16614 0.04201 0.59797 1.0000 + Cl Cl21 1.0 0.19739 0.07326 0.59797 1.0000 + Cl Cl22 1.0 0.22864 0.10451 0.59797 1.0000 + Cl Cl23 1.0 0.25989 0.13576 0.59797 1.0000 + Cl Cl24 1.0 0.29114 0.16701 0.59797 1.0000 + Cl Cl25 1.0 0.32239 0.19826 0.59797 1.0000 + Cl Cl26 1.0 0.35364 0.22951 0.59797 1.0000 + Cl Cl27 1.0 0.38489 0.26076 0.59797 1.0000 + Cl Cl28 1.0 0.41614 0.29201 0.59797 1.0000 + Cl Cl29 1.0 0.44739 0.32326 0.59797 1.0000 + Cl Cl30 1.0 0.47864 0.35451 0.59797 1.0000 + Cl Cl31 1.0 0.50989 0.38576 0.59797 1.0000 + Cl Cl32 1.0 0.54114 0.41701 0.59797 1.0000 + Cl Cl33 1.0 0.10364 0.91701 0.59797 1.0000 + Cl Cl34 1.0 0.13489 0.94826 0.59797 1.0000 + Cl Cl35 1.0 0.16614 0.97951 0.59797 1.0000 + Cl Cl36 1.0 0.19739 0.01076 0.59797 1.0000 + Cl Cl37 1.0 0.22864 0.04201 0.59797 1.0000 + Cl Cl38 1.0 0.25989 0.07326 0.59797 1.0000 + Cl Cl39 1.0 0.29114 0.10451 0.59797 1.0000 + Cl Cl40 1.0 0.32239 0.13576 0.59797 1.0000 + Cl Cl41 1.0 0.35364 0.16701 0.59797 1.0000 + Cl Cl42 1.0 0.38489 0.19826 0.59797 1.0000 + Cl Cl43 1.0 0.41614 0.22951 0.59797 1.0000 + Cl Cl44 1.0 0.44739 0.26076 0.59797 1.0000 + Cl Cl45 1.0 0.47864 0.29201 0.59797 1.0000 + Cl Cl46 1.0 0.50989 0.32326 0.59797 1.0000 + Cl Cl47 1.0 0.54114 0.35451 0.59797 1.0000 + Cl Cl48 1.0 0.57239 0.38576 0.59797 1.0000 + Cl Cl49 1.0 0.13489 0.88576 0.59797 1.0000 + Cl Cl50 1.0 0.16614 0.91701 0.59797 1.0000 + Cl Cl51 1.0 0.19739 0.94826 0.59797 1.0000 + Cl Cl52 1.0 0.22864 0.97951 0.59797 1.0000 + Cl Cl53 1.0 0.25989 0.01076 0.59797 1.0000 + Cl Cl54 1.0 0.29114 0.04201 0.59797 1.0000 + Cl Cl55 1.0 0.32239 0.07326 0.59797 1.0000 + Cl Cl56 1.0 0.35364 0.10451 0.59797 1.0000 + Cl Cl57 1.0 0.38489 0.13576 0.59797 1.0000 + Cl Cl58 1.0 0.41614 0.16701 0.59797 1.0000 + Cl Cl59 1.0 0.44739 0.19826 0.59797 1.0000 + Cl Cl60 1.0 0.47864 0.22951 0.59797 1.0000 + Cl Cl61 1.0 0.50989 0.26076 0.59797 1.0000 + Cl Cl62 1.0 0.54114 0.29201 0.59797 1.0000 + Cl Cl63 1.0 0.57239 0.32326 0.59797 1.0000 + Cl Cl64 1.0 0.60364 0.35451 0.59797 1.0000 + Cl Cl65 1.0 0.16614 0.85451 0.59797 1.0000 + Cl Cl66 1.0 0.19739 0.88576 0.59797 1.0000 + Cl Cl67 1.0 0.22864 0.91701 0.59797 1.0000 + Cl Cl68 1.0 0.25989 0.94826 0.59797 1.0000 + Cl Cl69 1.0 0.29114 0.97951 0.59797 1.0000 + Cl Cl70 1.0 0.32239 0.01076 0.59797 1.0000 + Cl Cl71 1.0 0.35364 0.04201 0.59797 1.0000 + Cl Cl72 1.0 0.38489 0.07326 0.59797 1.0000 + Cl Cl73 1.0 0.41614 0.10451 0.59797 1.0000 + Cl Cl74 1.0 0.44739 0.13576 0.59797 1.0000 + Cl Cl75 1.0 0.47864 0.16701 0.59797 1.0000 + Cl Cl76 1.0 0.50989 0.19826 0.59797 1.0000 + Cl Cl77 1.0 0.54114 0.22951 0.59797 1.0000 + Cl Cl78 1.0 0.57239 0.26076 0.59797 1.0000 + Cl Cl79 1.0 0.60364 0.29201 0.59797 1.0000 + Cl Cl80 1.0 0.63489 0.32326 0.59797 1.0000 + Cl Cl81 1.0 0.19739 0.82326 0.59797 1.0000 + Cl Cl82 1.0 0.22864 0.85451 0.59797 1.0000 + Cl Cl83 1.0 0.25989 0.88576 0.59797 1.0000 + Cl Cl84 1.0 0.29114 0.91701 0.59797 1.0000 + Cl Cl85 1.0 0.32239 0.94826 0.59797 1.0000 + Cl Cl86 1.0 0.35364 0.97951 0.59797 1.0000 + Cl Cl87 1.0 0.38489 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0.53125 0.46875 0.35586 1.0000 + Sn Sn274 1.0 0.56250 0.50000 0.35586 1.0000 + Sn Sn275 1.0 0.59375 0.53125 0.35586 1.0000 + Sn Sn276 1.0 0.62500 0.56250 0.35586 1.0000 + Sn Sn277 1.0 0.65625 0.59375 0.35586 1.0000 + Sn Sn278 1.0 0.68750 0.62500 0.35586 1.0000 + Sn Sn279 1.0 0.71875 0.65625 0.35586 1.0000 + Sn Sn280 1.0 0.75000 0.68750 0.35586 1.0000 + Sn Sn281 1.0 0.78125 0.71875 0.35586 1.0000 + Sn Sn282 1.0 0.81250 0.75000 0.35586 1.0000 + Sn Sn283 1.0 0.84375 0.78125 0.35586 1.0000 + Sn Sn284 1.0 0.87500 0.81250 0.35586 1.0000 + Sn Sn285 1.0 0.90625 0.84375 0.35586 1.0000 + Sn Sn286 1.0 0.93750 0.87500 0.35586 1.0000 + Sn Sn287 1.0 0.96875 0.90625 0.35586 1.0000 + Sn Sn288 1.0 0.00000 0.93750 0.35586 1.0000 + Sn Sn289 1.0 0.56250 0.43750 0.35586 1.0000 + Sn Sn290 1.0 0.59375 0.46875 0.35586 1.0000 + Sn Sn291 1.0 0.62500 0.50000 0.35586 1.0000 + Sn Sn292 1.0 0.65625 0.53125 0.35586 1.0000 + Sn Sn293 1.0 0.68750 0.56250 0.35586 1.0000 + Sn Sn294 1.0 0.71875 0.59375 0.35586 1.0000 + Sn Sn295 1.0 0.75000 0.62500 0.35586 1.0000 + Sn Sn296 1.0 0.78125 0.65625 0.35586 1.0000 + Sn Sn297 1.0 0.81250 0.68750 0.35586 1.0000 + Sn Sn298 1.0 0.84375 0.71875 0.35586 1.0000 + Sn Sn299 1.0 0.87500 0.75000 0.35586 1.0000 + Sn Sn300 1.0 0.90625 0.78125 0.35586 1.0000 + Sn Sn301 1.0 0.93750 0.81250 0.35586 1.0000 + Sn Sn302 1.0 0.96875 0.84375 0.35586 1.0000 + Sn Sn303 1.0 0.00000 0.87500 0.35586 1.0000 + Sn Sn304 1.0 0.03125 0.90625 0.35586 1.0000 + Sn Sn305 1.0 0.59375 0.40625 0.35586 1.0000 + Sn Sn306 1.0 0.62500 0.43750 0.35586 1.0000 + Sn Sn307 1.0 0.65625 0.46875 0.35586 1.0000 + Sn Sn308 1.0 0.68750 0.50000 0.35586 1.0000 + Sn Sn309 1.0 0.71875 0.53125 0.35586 1.0000 + Sn Sn310 1.0 0.75000 0.56250 0.35586 1.0000 + Sn Sn311 1.0 0.78125 0.59375 0.35586 1.0000 + Sn Sn312 1.0 0.81250 0.62500 0.35586 1.0000 + Sn Sn313 1.0 0.84375 0.65625 0.35586 1.0000 + Sn Sn314 1.0 0.87500 0.68750 0.35586 1.0000 + Sn Sn315 1.0 0.90625 0.71875 0.35586 1.0000 + Sn Sn316 1.0 0.93750 0.75000 0.35586 1.0000 + Sn Sn317 1.0 0.96875 0.78125 0.35586 1.0000 + Sn Sn318 1.0 0.00000 0.81250 0.35586 1.0000 + Sn Sn319 1.0 0.03125 0.84375 0.35586 1.0000 + Sn Sn320 1.0 0.06250 0.87500 0.35586 1.0000 + Sn Sn321 1.0 0.62500 0.37500 0.35586 1.0000 + Sn Sn322 1.0 0.65625 0.40625 0.35586 1.0000 + Sn Sn323 1.0 0.68750 0.43750 0.35586 1.0000 + Sn Sn324 1.0 0.71875 0.46875 0.35586 1.0000 + Sn Sn325 1.0 0.75000 0.50000 0.35586 1.0000 + Sn Sn326 1.0 0.78125 0.53125 0.35586 1.0000 + Sn Sn327 1.0 0.81250 0.56250 0.35586 1.0000 + Sn Sn328 1.0 0.84375 0.59375 0.35586 1.0000 + Sn Sn329 1.0 0.87500 0.62500 0.35586 1.0000 + Sn Sn330 1.0 0.90625 0.65625 0.35586 1.0000 + Sn Sn331 1.0 0.93750 0.68750 0.35586 1.0000 + Sn Sn332 1.0 0.96875 0.71875 0.35586 1.0000 + Sn Sn333 1.0 0.00000 0.75000 0.35586 1.0000 + Sn Sn334 1.0 0.03125 0.78125 0.35586 1.0000 + Sn Sn335 1.0 0.06250 0.81250 0.35586 1.0000 + Sn Sn336 1.0 0.09375 0.84375 0.35586 1.0000 + Sn Sn337 1.0 0.65625 0.34375 0.35586 1.0000 + Sn Sn338 1.0 0.68750 0.37500 0.35586 1.0000 + Sn Sn339 1.0 0.71875 0.40625 0.35586 1.0000 + Sn Sn340 1.0 0.75000 0.43750 0.35586 1.0000 + Sn Sn341 1.0 0.78125 0.46875 0.35586 1.0000 + Sn Sn342 1.0 0.81250 0.50000 0.35586 1.0000 + Sn Sn343 1.0 0.84375 0.53125 0.35586 1.0000 + Sn Sn344 1.0 0.87500 0.56250 0.35586 1.0000 + Sn Sn345 1.0 0.90625 0.59375 0.35586 1.0000 + Sn Sn346 1.0 0.93750 0.62500 0.35586 1.0000 + Sn Sn347 1.0 0.96875 0.65625 0.35586 1.0000 + Sn Sn348 1.0 0.00000 0.68750 0.35586 1.0000 + Sn Sn349 1.0 0.03125 0.71875 0.35586 1.0000 + Sn Sn350 1.0 0.06250 0.75000 0.35586 1.0000 + Sn Sn351 1.0 0.09375 0.78125 0.35586 1.0000 + Sn Sn352 1.0 0.12500 0.81250 0.35586 1.0000 + Sn Sn353 1.0 0.68750 0.31250 0.35586 1.0000 + Sn Sn354 1.0 0.71875 0.34375 0.35586 1.0000 + Sn Sn355 1.0 0.75000 0.37500 0.35586 1.0000 + Sn Sn356 1.0 0.78125 0.40625 0.35586 1.0000 + Sn Sn357 1.0 0.81250 0.43750 0.35586 1.0000 + Sn Sn358 1.0 0.84375 0.46875 0.35586 1.0000 + Sn Sn359 1.0 0.87500 0.50000 0.35586 1.0000 + Sn Sn360 1.0 0.90625 0.53125 0.35586 1.0000 + Sn Sn361 1.0 0.93750 0.56250 0.35586 1.0000 + Sn Sn362 1.0 0.96875 0.59375 0.35586 1.0000 + Sn Sn363 1.0 0.00000 0.62500 0.35586 1.0000 + Sn Sn364 1.0 0.03125 0.65625 0.35586 1.0000 + Sn Sn365 1.0 0.06250 0.68750 0.35586 1.0000 + Sn Sn366 1.0 0.09375 0.71875 0.35586 1.0000 + Sn Sn367 1.0 0.12500 0.75000 0.35586 1.0000 + Sn Sn368 1.0 0.15625 0.78125 0.35586 1.0000 + Sn Sn369 1.0 0.71875 0.28125 0.35586 1.0000 + Sn Sn370 1.0 0.75000 0.31250 0.35586 1.0000 + Sn Sn371 1.0 0.78125 0.34375 0.35586 1.0000 + Sn Sn372 1.0 0.81250 0.37500 0.35586 1.0000 + Sn Sn373 1.0 0.84375 0.40625 0.35586 1.0000 + Sn Sn374 1.0 0.87500 0.43750 0.35586 1.0000 + Sn Sn375 1.0 0.90625 0.46875 0.35586 1.0000 + Sn Sn376 1.0 0.93750 0.50000 0.35586 1.0000 + Sn Sn377 1.0 0.96875 0.53125 0.35586 1.0000 + Sn Sn378 1.0 0.00000 0.56250 0.35586 1.0000 + Sn Sn379 1.0 0.03125 0.59375 0.35586 1.0000 + Sn Sn380 1.0 0.06250 0.62500 0.35586 1.0000 + Sn Sn381 1.0 0.09375 0.65625 0.35586 1.0000 + Sn Sn382 1.0 0.12500 0.68750 0.35586 1.0000 + Sn Sn383 1.0 0.15625 0.71875 0.35586 1.0000 + Sn Sn384 1.0 0.18750 0.75000 0.35586 1.0000 + Sn Sn385 1.0 0.75000 0.25000 0.35586 1.0000 + Sn Sn386 1.0 0.78125 0.28125 0.35586 1.0000 + Sn Sn387 1.0 0.81250 0.31250 0.35586 1.0000 + Sn Sn388 1.0 0.84375 0.34375 0.35586 1.0000 + Sn Sn389 1.0 0.87500 0.37500 0.35586 1.0000 + Sn Sn390 1.0 0.90625 0.40625 0.35586 1.0000 + Sn Sn391 1.0 0.93750 0.43750 0.35586 1.0000 + Sn Sn392 1.0 0.96875 0.46875 0.35586 1.0000 + Sn Sn393 1.0 1.00000 0.50000 0.35586 1.0000 + Sn Sn394 1.0 0.03125 0.53125 0.35586 1.0000 + Sn Sn395 1.0 0.06250 0.56250 0.35586 1.0000 + Sn Sn396 1.0 0.09375 0.59375 0.35586 1.0000 + Sn Sn397 1.0 0.12500 0.62500 0.35586 1.0000 + Sn Sn398 1.0 0.15625 0.65625 0.35586 1.0000 + Sn Sn399 1.0 0.18750 0.68750 0.35586 1.0000 + Sn Sn400 1.0 0.21875 0.71875 0.35586 1.0000 + Sn Sn401 1.0 0.78125 0.21875 0.35586 1.0000 + Sn Sn402 1.0 0.81250 0.25000 0.35586 1.0000 + Sn Sn403 1.0 0.84375 0.28125 0.35586 1.0000 + Sn Sn404 1.0 0.87500 0.31250 0.35586 1.0000 + Sn Sn405 1.0 0.90625 0.34375 0.35586 1.0000 + Sn Sn406 1.0 0.93750 0.37500 0.35586 1.0000 + Sn Sn407 1.0 0.96875 0.40625 0.35586 1.0000 + Sn Sn408 1.0 0.00000 0.43750 0.35586 1.0000 + Sn Sn409 1.0 0.03125 0.46875 0.35586 1.0000 + Sn Sn410 1.0 0.06250 0.50000 0.35586 1.0000 + Sn Sn411 1.0 0.09375 0.53125 0.35586 1.0000 + Sn Sn412 1.0 0.12500 0.56250 0.35586 1.0000 + Sn Sn413 1.0 0.15625 0.59375 0.35586 1.0000 + Sn Sn414 1.0 0.18750 0.62500 0.35586 1.0000 + Sn Sn415 1.0 0.21875 0.65625 0.35586 1.0000 + Sn Sn416 1.0 0.25000 0.68750 0.35586 1.0000 + Sn Sn417 1.0 0.81250 0.18750 0.35586 1.0000 + Sn Sn418 1.0 0.84375 0.21875 0.35586 1.0000 + Sn Sn419 1.0 0.87500 0.25000 0.35586 1.0000 + Sn Sn420 1.0 0.90625 0.28125 0.35586 1.0000 + Sn Sn421 1.0 0.93750 0.31250 0.35586 1.0000 + Sn Sn422 1.0 0.96875 0.34375 0.35586 1.0000 + Sn Sn423 1.0 0.00000 0.37500 0.35586 1.0000 + Sn Sn424 1.0 0.03125 0.40625 0.35586 1.0000 + Sn Sn425 1.0 0.06250 0.43750 0.35586 1.0000 + Sn Sn426 1.0 0.09375 0.46875 0.35586 1.0000 + Sn Sn427 1.0 0.12500 0.50000 0.35586 1.0000 + Sn Sn428 1.0 0.15625 0.53125 0.35586 1.0000 + Sn Sn429 1.0 0.18750 0.56250 0.35586 1.0000 + Sn Sn430 1.0 0.21875 0.59375 0.35586 1.0000 + Sn Sn431 1.0 0.25000 0.62500 0.35586 1.0000 + Sn Sn432 1.0 0.28125 0.65625 0.35586 1.0000 + Sn Sn433 1.0 0.84375 0.15625 0.35586 1.0000 + Sn Sn434 1.0 0.87500 0.18750 0.35586 1.0000 + Sn Sn435 1.0 0.90625 0.21875 0.35586 1.0000 + Sn Sn436 1.0 0.93750 0.25000 0.35586 1.0000 + Sn Sn437 1.0 0.96875 0.28125 0.35586 1.0000 + Sn Sn438 1.0 0.00000 0.31250 0.35586 1.0000 + Sn Sn439 1.0 0.03125 0.34375 0.35586 1.0000 + Sn Sn440 1.0 0.06250 0.37500 0.35586 1.0000 + Sn Sn441 1.0 0.09375 0.40625 0.35586 1.0000 + Sn Sn442 1.0 0.12500 0.43750 0.35586 1.0000 + Sn Sn443 1.0 0.15625 0.46875 0.35586 1.0000 + Sn Sn444 1.0 0.18750 0.50000 0.35586 1.0000 + Sn Sn445 1.0 0.21875 0.53125 0.35586 1.0000 + Sn Sn446 1.0 0.25000 0.56250 0.35586 1.0000 + Sn Sn447 1.0 0.28125 0.59375 0.35586 1.0000 + Sn Sn448 1.0 0.31250 0.62500 0.35586 1.0000 + Sn Sn449 1.0 0.87500 0.12500 0.35586 1.0000 + Sn Sn450 1.0 0.90625 0.15625 0.35586 1.0000 + Sn Sn451 1.0 0.93750 0.18750 0.35586 1.0000 + Sn Sn452 1.0 0.96875 0.21875 0.35586 1.0000 + Sn Sn453 1.0 0.00000 0.25000 0.35586 1.0000 + Sn Sn454 1.0 0.03125 0.28125 0.35586 1.0000 + Sn Sn455 1.0 0.06250 0.31250 0.35586 1.0000 + Sn Sn456 1.0 0.09375 0.34375 0.35586 1.0000 + Sn Sn457 1.0 0.12500 0.37500 0.35586 1.0000 + Sn Sn458 1.0 0.15625 0.40625 0.35586 1.0000 + Sn Sn459 1.0 0.18750 0.43750 0.35586 1.0000 + Sn Sn460 1.0 0.21875 0.46875 0.35586 1.0000 + Sn Sn461 1.0 0.25000 0.50000 0.35586 1.0000 + Sn Sn462 1.0 0.28125 0.53125 0.35586 1.0000 + Sn Sn463 1.0 0.31250 0.56250 0.35586 1.0000 + Sn Sn464 1.0 0.34375 0.59375 0.35586 1.0000 + Sn Sn465 1.0 0.90625 0.09375 0.35586 1.0000 + Sn Sn466 1.0 0.93750 0.12500 0.35586 1.0000 + Sn Sn467 1.0 0.96875 0.15625 0.35586 1.0000 + Sn Sn468 1.0 0.00000 0.18750 0.35586 1.0000 + Sn Sn469 1.0 0.03125 0.21875 0.35586 1.0000 + Sn Sn470 1.0 0.06250 0.25000 0.35586 1.0000 + Sn Sn471 1.0 0.09375 0.28125 0.35586 1.0000 + Sn Sn472 1.0 0.12500 0.31250 0.35586 1.0000 + Sn Sn473 1.0 0.15625 0.34375 0.35586 1.0000 + Sn Sn474 1.0 0.18750 0.37500 0.35586 1.0000 + Sn Sn475 1.0 0.21875 0.40625 0.35586 1.0000 + Sn Sn476 1.0 0.25000 0.43750 0.35586 1.0000 + Sn Sn477 1.0 0.28125 0.46875 0.35586 1.0000 + Sn Sn478 1.0 0.31250 0.50000 0.35586 1.0000 + Sn Sn479 1.0 0.34375 0.53125 0.35586 1.0000 + Sn Sn480 1.0 0.37500 0.56250 0.35586 1.0000 + Sn Sn481 1.0 0.93750 0.06250 0.35586 1.0000 + Sn Sn482 1.0 0.96875 0.09375 0.35586 1.0000 + Sn Sn483 1.0 0.00000 0.12500 0.35586 1.0000 + Sn Sn484 1.0 0.03125 0.15625 0.35586 1.0000 + Sn Sn485 1.0 0.06250 0.18750 0.35586 1.0000 + Sn Sn486 1.0 0.09375 0.21875 0.35586 1.0000 + Sn Sn487 1.0 0.12500 0.25000 0.35586 1.0000 + Sn Sn488 1.0 0.15625 0.28125 0.35586 1.0000 + Sn Sn489 1.0 0.18750 0.31250 0.35586 1.0000 + Sn Sn490 1.0 0.21875 0.34375 0.35586 1.0000 + Sn Sn491 1.0 0.25000 0.37500 0.35586 1.0000 + Sn Sn492 1.0 0.28125 0.40625 0.35586 1.0000 + Sn Sn493 1.0 0.31250 0.43750 0.35586 1.0000 + Sn Sn494 1.0 0.34375 0.46875 0.35586 1.0000 + Sn Sn495 1.0 0.37500 0.50000 0.35586 1.0000 + Sn Sn496 1.0 0.40625 0.53125 0.35586 1.0000 + Sn Sn497 1.0 0.96875 0.03125 0.35586 1.0000 + Sn Sn498 1.0 0.00000 0.06250 0.35586 1.0000 + Sn Sn499 1.0 0.03125 0.09375 0.35586 1.0000 + Sn Sn500 1.0 0.06250 0.12500 0.35586 1.0000 + Sn Sn501 1.0 0.09375 0.15625 0.35586 1.0000 + Sn Sn502 1.0 0.12500 0.18750 0.35586 1.0000 + Sn Sn503 1.0 0.15625 0.21875 0.35586 1.0000 + Sn Sn504 1.0 0.18750 0.25000 0.35586 1.0000 + Sn Sn505 1.0 0.21875 0.28125 0.35586 1.0000 + Sn Sn506 1.0 0.25000 0.31250 0.35586 1.0000 + Sn Sn507 1.0 0.28125 0.34375 0.35586 1.0000 + Sn Sn508 1.0 0.31250 0.37500 0.35586 1.0000 + Sn Sn509 1.0 0.34375 0.40625 0.35586 1.0000 + Sn Sn510 1.0 0.37500 0.43750 0.35586 1.0000 + Sn Sn511 1.0 0.40625 0.46875 0.35586 1.0000 + Sn Sn512 1.0 0.43750 0.50000 0.35586 1.0000 + Cl Cl769 1.0 0.54114 0.47951 0.59797 1.0000 + Cl Cl770 1.0 0.57239 0.51076 0.59797 1.0000 + Cl Cl771 1.0 0.60364 0.54201 0.59797 1.0000 + Cl Cl772 1.0 0.63489 0.57326 0.59797 1.0000 + Cl Cl773 1.0 0.66614 0.60451 0.59797 1.0000 + Cl Cl774 1.0 0.69739 0.63576 0.59797 1.0000 + Cl Cl775 1.0 0.72864 0.66701 0.59797 1.0000 + Cl Cl776 1.0 0.75989 0.69826 0.59797 1.0000 + Cl Cl777 1.0 0.79114 0.72951 0.59797 1.0000 + Cl Cl778 1.0 0.82239 0.76076 0.59797 1.0000 + Cl Cl779 1.0 0.85364 0.79201 0.59797 1.0000 + Cl Cl780 1.0 0.88489 0.82326 0.59797 1.0000 + Cl Cl781 1.0 0.91614 0.85451 0.59797 1.0000 + Cl Cl782 1.0 0.94739 0.88576 0.59797 1.0000 + Cl Cl783 1.0 0.97864 0.91701 0.59797 1.0000 + Cl Cl784 1.0 0.00989 0.94826 0.59797 1.0000 + Cl Cl785 1.0 0.57239 0.44826 0.59797 1.0000 + Cl Cl786 1.0 0.60364 0.47951 0.59797 1.0000 + Cl Cl787 1.0 0.63489 0.51076 0.59797 1.0000 + Cl Cl788 1.0 0.66614 0.54201 0.59797 1.0000 + Cl Cl789 1.0 0.69739 0.57326 0.59797 1.0000 + Cl Cl790 1.0 0.72864 0.60451 0.59797 1.0000 + Cl Cl791 1.0 0.75989 0.63576 0.59797 1.0000 + Cl Cl792 1.0 0.79114 0.66701 0.59797 1.0000 + Cl Cl793 1.0 0.82239 0.69826 0.59797 1.0000 + Cl Cl794 1.0 0.85364 0.72951 0.59797 1.0000 + Cl Cl795 1.0 0.88489 0.76076 0.59797 1.0000 + Cl Cl796 1.0 0.91614 0.79201 0.59797 1.0000 + Cl Cl797 1.0 0.94739 0.82326 0.59797 1.0000 + Cl Cl798 1.0 0.97864 0.85451 0.59797 1.0000 + Cl Cl799 1.0 0.00989 0.88576 0.59797 1.0000 + Cl Cl800 1.0 0.04114 0.91701 0.59797 1.0000 + Cl Cl801 1.0 0.60364 0.41701 0.59797 1.0000 + Cl Cl802 1.0 0.63489 0.44826 0.59797 1.0000 + Cl Cl803 1.0 0.66614 0.47951 0.59797 1.0000 + Cl Cl804 1.0 0.69739 0.51076 0.59797 1.0000 + Cl Cl805 1.0 0.72864 0.54201 0.59797 1.0000 + Cl Cl806 1.0 0.75989 0.57326 0.59797 1.0000 + Cl Cl807 1.0 0.79114 0.60451 0.59797 1.0000 + Cl Cl808 1.0 0.82239 0.63576 0.59797 1.0000 + Cl Cl809 1.0 0.85364 0.66701 0.59797 1.0000 + Cl Cl810 1.0 0.88489 0.69826 0.59797 1.0000 + Cl Cl811 1.0 0.91614 0.72951 0.59797 1.0000 + Cl Cl812 1.0 0.94739 0.76076 0.59797 1.0000 + Cl Cl813 1.0 0.97864 0.79201 0.59797 1.0000 + Cl Cl814 1.0 0.00989 0.82326 0.59797 1.0000 + Cl Cl815 1.0 0.04114 0.85451 0.59797 1.0000 + Cl Cl816 1.0 0.07239 0.88576 0.59797 1.0000 + Cl Cl817 1.0 0.63489 0.38576 0.59797 1.0000 + Cl Cl818 1.0 0.66614 0.41701 0.59797 1.0000 + Cl Cl819 1.0 0.69739 0.44826 0.59797 1.0000 + Cl Cl820 1.0 0.72864 0.47951 0.59797 1.0000 + Cl Cl821 1.0 0.75989 0.51076 0.59797 1.0000 + Cl Cl822 1.0 0.79114 0.54201 0.59797 1.0000 + Cl Cl823 1.0 0.82239 0.57326 0.59797 1.0000 + Cl Cl824 1.0 0.85364 0.60451 0.59797 1.0000 + Cl Cl825 1.0 0.88489 0.63576 0.59797 1.0000 + Cl Cl826 1.0 0.91614 0.66701 0.59797 1.0000 + Cl Cl827 1.0 0.94739 0.69826 0.59797 1.0000 + Cl Cl828 1.0 0.97864 0.72951 0.59797 1.0000 + Cl Cl829 1.0 0.00989 0.76076 0.59797 1.0000 + Cl Cl830 1.0 0.04114 0.79201 0.59797 1.0000 + Cl Cl831 1.0 0.07239 0.82326 0.59797 1.0000 + Cl Cl832 1.0 0.10364 0.85451 0.59797 1.0000 + Cl Cl833 1.0 0.66614 0.35451 0.59797 1.0000 + Cl Cl834 1.0 0.69739 0.38576 0.59797 1.0000 + Cl Cl835 1.0 0.72864 0.41701 0.59797 1.0000 + Cl Cl836 1.0 0.75989 0.44826 0.59797 1.0000 + Cl Cl837 1.0 0.79114 0.47951 0.59797 1.0000 + Cl Cl838 1.0 0.82239 0.51076 0.59797 1.0000 + Cl Cl839 1.0 0.85364 0.54201 0.59797 1.0000 + Cl Cl840 1.0 0.88489 0.57326 0.59797 1.0000 + Cl Cl841 1.0 0.91614 0.60451 0.59797 1.0000 + Cl Cl842 1.0 0.94739 0.63576 0.59797 1.0000 + Cl Cl843 1.0 0.97864 0.66701 0.59797 1.0000 + Cl Cl844 1.0 0.00989 0.69826 0.59797 1.0000 + Cl Cl845 1.0 0.04114 0.72951 0.59797 1.0000 + Cl Cl846 1.0 0.07239 0.76076 0.59797 1.0000 + Cl Cl847 1.0 0.10364 0.79201 0.59797 1.0000 + Cl Cl848 1.0 0.13489 0.82326 0.59797 1.0000 + Cl Cl849 1.0 0.69739 0.32326 0.59797 1.0000 + Cl Cl850 1.0 0.72864 0.35451 0.59797 1.0000 + Cl Cl851 1.0 0.75989 0.38576 0.59797 1.0000 + Cl Cl852 1.0 0.79114 0.41701 0.59797 1.0000 + Cl Cl853 1.0 0.82239 0.44826 0.59797 1.0000 + Cl Cl854 1.0 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1.0000 + Cl Cl1536 1.0 0.46919 0.51104 0.59797 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4834_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4834_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..e7b1cfde2cfce3411b7fa5d47d31c6eedd16bf50 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4834_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Cu512O1024 +_chemical_formula_sum "Cu512 O1024" +_cell_length_a 46.9161 +_cell_length_b 81.2999 +_cell_length_c 5.88441 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Cu Cu1 1.0 0.06236 0.00027 0.50007 1.0000 + Cu Cu2 1.0 0.06236 0.06277 0.50007 1.0000 + Cu Cu3 1.0 0.06236 0.12527 0.50007 1.0000 + Cu Cu4 1.0 0.06236 0.18777 0.50007 1.0000 + Cu Cu5 1.0 0.06236 0.25027 0.50007 1.0000 + Cu Cu6 1.0 0.06236 0.31277 0.50007 1.0000 + Cu Cu7 1.0 0.06236 0.37527 0.50007 1.0000 + Cu Cu8 1.0 0.06236 0.43777 0.50007 1.0000 + Cu Cu9 1.0 0.06236 0.50027 0.50007 1.0000 + Cu Cu10 1.0 0.06236 0.56277 0.50007 1.0000 + Cu Cu11 1.0 0.06236 0.62527 0.50007 1.0000 + Cu Cu12 1.0 0.06236 0.68777 0.50007 1.0000 + Cu Cu13 1.0 0.06236 0.75027 0.50007 1.0000 + Cu Cu14 1.0 0.06236 0.81277 0.50007 1.0000 + Cu Cu15 1.0 0.06236 0.87527 0.50007 1.0000 + Cu Cu16 1.0 0.06236 0.93777 0.50007 1.0000 + Cu Cu17 1.0 0.12486 0.00027 0.50007 1.0000 + Cu Cu18 1.0 0.12486 0.06277 0.50007 1.0000 + Cu Cu19 1.0 0.12486 0.12527 0.50007 1.0000 + Cu Cu20 1.0 0.12486 0.18777 0.50007 1.0000 + Cu Cu21 1.0 0.12486 0.25027 0.50007 1.0000 + Cu Cu22 1.0 0.12486 0.31277 0.50007 1.0000 + Cu Cu23 1.0 0.12486 0.37527 0.50007 1.0000 + Cu Cu24 1.0 0.12486 0.43777 0.50007 1.0000 + Cu Cu25 1.0 0.12486 0.50027 0.50007 1.0000 + Cu Cu26 1.0 0.12486 0.56277 0.50007 1.0000 + Cu Cu27 1.0 0.12486 0.62527 0.50007 1.0000 + Cu Cu28 1.0 0.12486 0.68777 0.50007 1.0000 + Cu Cu29 1.0 0.12486 0.75027 0.50007 1.0000 + Cu Cu30 1.0 0.12486 0.81277 0.50007 1.0000 + Cu Cu31 1.0 0.12486 0.87527 0.50007 1.0000 + Cu Cu32 1.0 0.12486 0.93777 0.50007 1.0000 + Cu Cu33 1.0 0.18736 0.00027 0.50007 1.0000 + Cu Cu34 1.0 0.18736 0.06277 0.50007 1.0000 + Cu Cu35 1.0 0.18736 0.12527 0.50007 1.0000 + Cu Cu36 1.0 0.18736 0.18777 0.50007 1.0000 + Cu Cu37 1.0 0.18736 0.25027 0.50007 1.0000 + Cu Cu38 1.0 0.18736 0.31277 0.50007 1.0000 + Cu Cu39 1.0 0.18736 0.37527 0.50007 1.0000 + Cu Cu40 1.0 0.18736 0.43777 0.50007 1.0000 + Cu Cu41 1.0 0.18736 0.50027 0.50007 1.0000 + Cu Cu42 1.0 0.18736 0.56277 0.50007 1.0000 + Cu Cu43 1.0 0.18736 0.62527 0.50007 1.0000 + Cu Cu44 1.0 0.18736 0.68777 0.50007 1.0000 + Cu Cu45 1.0 0.18736 0.75027 0.50007 1.0000 + Cu Cu46 1.0 0.18736 0.81277 0.50007 1.0000 + Cu Cu47 1.0 0.18736 0.87527 0.50007 1.0000 + Cu Cu48 1.0 0.18736 0.93777 0.50007 1.0000 + Cu Cu49 1.0 0.24986 0.00027 0.50007 1.0000 + Cu Cu50 1.0 0.24986 0.06277 0.50007 1.0000 + Cu Cu51 1.0 0.24986 0.12527 0.50007 1.0000 + Cu Cu52 1.0 0.24986 0.18777 0.50007 1.0000 + Cu Cu53 1.0 0.24986 0.25027 0.50007 1.0000 + Cu Cu54 1.0 0.24986 0.31277 0.50007 1.0000 + Cu Cu55 1.0 0.24986 0.37527 0.50007 1.0000 + Cu Cu56 1.0 0.24986 0.43777 0.50007 1.0000 + Cu Cu57 1.0 0.24986 0.50027 0.50007 1.0000 + Cu Cu58 1.0 0.24986 0.56277 0.50007 1.0000 + Cu Cu59 1.0 0.24986 0.62527 0.50007 1.0000 + Cu Cu60 1.0 0.24986 0.68777 0.50007 1.0000 + Cu Cu61 1.0 0.24986 0.75027 0.50007 1.0000 + Cu Cu62 1.0 0.24986 0.81277 0.50007 1.0000 + Cu Cu63 1.0 0.24986 0.87527 0.50007 1.0000 + Cu Cu64 1.0 0.24986 0.93777 0.50007 1.0000 + Cu Cu65 1.0 0.31236 0.00027 0.50007 1.0000 + Cu Cu66 1.0 0.31236 0.06277 0.50007 1.0000 + Cu Cu67 1.0 0.31236 0.12527 0.50007 1.0000 + Cu Cu68 1.0 0.31236 0.18777 0.50007 1.0000 + Cu Cu69 1.0 0.31236 0.25027 0.50007 1.0000 + Cu Cu70 1.0 0.31236 0.31277 0.50007 1.0000 + Cu Cu71 1.0 0.31236 0.37527 0.50007 1.0000 + Cu Cu72 1.0 0.31236 0.43777 0.50007 1.0000 + Cu Cu73 1.0 0.31236 0.50027 0.50007 1.0000 + Cu Cu74 1.0 0.31236 0.56277 0.50007 1.0000 + Cu Cu75 1.0 0.31236 0.62527 0.50007 1.0000 + Cu Cu76 1.0 0.31236 0.68777 0.50007 1.0000 + Cu Cu77 1.0 0.31236 0.75027 0.50007 1.0000 + Cu Cu78 1.0 0.31236 0.81277 0.50007 1.0000 + Cu Cu79 1.0 0.31236 0.87527 0.50007 1.0000 + Cu Cu80 1.0 0.31236 0.93777 0.50007 1.0000 + Cu Cu81 1.0 0.37486 0.00027 0.50007 1.0000 + Cu Cu82 1.0 0.37486 0.06277 0.50007 1.0000 + Cu Cu83 1.0 0.37486 0.12527 0.50007 1.0000 + Cu Cu84 1.0 0.37486 0.18777 0.50007 1.0000 + Cu Cu85 1.0 0.37486 0.25027 0.50007 1.0000 + Cu Cu86 1.0 0.37486 0.31277 0.50007 1.0000 + Cu Cu87 1.0 0.37486 0.37527 0.50007 1.0000 + Cu Cu88 1.0 0.37486 0.43777 0.50007 1.0000 + Cu Cu89 1.0 0.37486 0.50027 0.50007 1.0000 + Cu Cu90 1.0 0.37486 0.56277 0.50007 1.0000 + Cu Cu91 1.0 0.37486 0.62527 0.50007 1.0000 + Cu Cu92 1.0 0.37486 0.68777 0.50007 1.0000 + Cu Cu93 1.0 0.37486 0.75027 0.50007 1.0000 + Cu Cu94 1.0 0.37486 0.81277 0.50007 1.0000 + Cu Cu95 1.0 0.37486 0.87527 0.50007 1.0000 + Cu Cu96 1.0 0.37486 0.93777 0.50007 1.0000 + Cu Cu97 1.0 0.43736 0.00027 0.50007 1.0000 + Cu Cu98 1.0 0.43736 0.06277 0.50007 1.0000 + Cu Cu99 1.0 0.43736 0.12527 0.50007 1.0000 + Cu Cu100 1.0 0.43736 0.18777 0.50007 1.0000 + Cu Cu101 1.0 0.43736 0.25027 0.50007 1.0000 + Cu Cu102 1.0 0.43736 0.31277 0.50007 1.0000 + Cu Cu103 1.0 0.43736 0.37527 0.50007 1.0000 + Cu Cu104 1.0 0.43736 0.43777 0.50007 1.0000 + Cu Cu105 1.0 0.43736 0.50027 0.50007 1.0000 + Cu Cu106 1.0 0.43736 0.56277 0.50007 1.0000 + Cu Cu107 1.0 0.43736 0.62527 0.50007 1.0000 + Cu Cu108 1.0 0.43736 0.68777 0.50007 1.0000 + Cu Cu109 1.0 0.43736 0.75027 0.50007 1.0000 + Cu Cu110 1.0 0.43736 0.81277 0.50007 1.0000 + Cu Cu111 1.0 0.43736 0.87527 0.50007 1.0000 + Cu Cu112 1.0 0.43736 0.93777 0.50007 1.0000 + Cu Cu113 1.0 0.49986 0.00027 0.50007 1.0000 + Cu Cu114 1.0 0.49986 0.06277 0.50007 1.0000 + Cu Cu115 1.0 0.49986 0.12527 0.50007 1.0000 + Cu Cu116 1.0 0.49986 0.18777 0.50007 1.0000 + Cu Cu117 1.0 0.49986 0.25027 0.50007 1.0000 + Cu Cu118 1.0 0.49986 0.31277 0.50007 1.0000 + Cu Cu119 1.0 0.49986 0.37527 0.50007 1.0000 + Cu Cu120 1.0 0.49986 0.43777 0.50007 1.0000 + Cu Cu121 1.0 0.49986 0.50027 0.50007 1.0000 + Cu Cu122 1.0 0.49986 0.56277 0.50007 1.0000 + Cu Cu123 1.0 0.49986 0.62527 0.50007 1.0000 + Cu Cu124 1.0 0.49986 0.68777 0.50007 1.0000 + Cu Cu125 1.0 0.49986 0.75027 0.50007 1.0000 + Cu Cu126 1.0 0.49986 0.81277 0.50007 1.0000 + Cu Cu127 1.0 0.49986 0.87527 0.50007 1.0000 + Cu Cu128 1.0 0.49986 0.93777 0.50007 1.0000 + Cu Cu129 1.0 0.56236 0.00027 0.50007 1.0000 + Cu Cu130 1.0 0.56236 0.06277 0.50007 1.0000 + Cu Cu131 1.0 0.56236 0.12527 0.50007 1.0000 + Cu Cu132 1.0 0.56236 0.18777 0.50007 1.0000 + Cu Cu133 1.0 0.56236 0.25027 0.50007 1.0000 + Cu Cu134 1.0 0.56236 0.31277 0.50007 1.0000 + Cu Cu135 1.0 0.56236 0.37527 0.50007 1.0000 + Cu Cu136 1.0 0.56236 0.43777 0.50007 1.0000 + Cu Cu137 1.0 0.56236 0.50027 0.50007 1.0000 + Cu Cu138 1.0 0.56236 0.56277 0.50007 1.0000 + Cu Cu139 1.0 0.56236 0.62527 0.50007 1.0000 + Cu Cu140 1.0 0.56236 0.68777 0.50007 1.0000 + Cu Cu141 1.0 0.56236 0.75027 0.50007 1.0000 + Cu Cu142 1.0 0.56236 0.81277 0.50007 1.0000 + Cu Cu143 1.0 0.56236 0.87527 0.50007 1.0000 + Cu Cu144 1.0 0.56236 0.93777 0.50007 1.0000 + Cu Cu145 1.0 0.62486 0.00027 0.50007 1.0000 + Cu Cu146 1.0 0.62486 0.06277 0.50007 1.0000 + Cu Cu147 1.0 0.62486 0.12527 0.50007 1.0000 + Cu Cu148 1.0 0.62486 0.18777 0.50007 1.0000 + Cu Cu149 1.0 0.62486 0.25027 0.50007 1.0000 + Cu Cu150 1.0 0.62486 0.31277 0.50007 1.0000 + Cu Cu151 1.0 0.62486 0.37527 0.50007 1.0000 + Cu Cu152 1.0 0.62486 0.43777 0.50007 1.0000 + Cu Cu153 1.0 0.62486 0.50027 0.50007 1.0000 + Cu Cu154 1.0 0.62486 0.56277 0.50007 1.0000 + Cu Cu155 1.0 0.62486 0.62527 0.50007 1.0000 + Cu Cu156 1.0 0.62486 0.68777 0.50007 1.0000 + Cu Cu157 1.0 0.62486 0.75027 0.50007 1.0000 + Cu Cu158 1.0 0.62486 0.81277 0.50007 1.0000 + Cu Cu159 1.0 0.62486 0.87527 0.50007 1.0000 + Cu Cu160 1.0 0.62486 0.93777 0.50007 1.0000 + Cu Cu161 1.0 0.68736 0.00027 0.50007 1.0000 + Cu Cu162 1.0 0.68736 0.06277 0.50007 1.0000 + Cu Cu163 1.0 0.68736 0.12527 0.50007 1.0000 + Cu Cu164 1.0 0.68736 0.18777 0.50007 1.0000 + Cu Cu165 1.0 0.68736 0.25027 0.50007 1.0000 + Cu Cu166 1.0 0.68736 0.31277 0.50007 1.0000 + Cu Cu167 1.0 0.68736 0.37527 0.50007 1.0000 + Cu Cu168 1.0 0.68736 0.43777 0.50007 1.0000 + Cu Cu169 1.0 0.68736 0.50027 0.50007 1.0000 + Cu Cu170 1.0 0.68736 0.56277 0.50007 1.0000 + Cu Cu171 1.0 0.68736 0.62527 0.50007 1.0000 + Cu Cu172 1.0 0.68736 0.68777 0.50007 1.0000 + Cu Cu173 1.0 0.68736 0.75027 0.50007 1.0000 + Cu Cu174 1.0 0.68736 0.81277 0.50007 1.0000 + Cu Cu175 1.0 0.68736 0.87527 0.50007 1.0000 + Cu Cu176 1.0 0.68736 0.93777 0.50007 1.0000 + Cu Cu177 1.0 0.74986 0.00027 0.50007 1.0000 + Cu Cu178 1.0 0.74986 0.06277 0.50007 1.0000 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Cu Cu504 1.0 0.96858 0.46900 0.49995 1.0000 + Cu Cu505 1.0 0.96858 0.53150 0.49995 1.0000 + Cu Cu506 1.0 0.96858 0.59400 0.49995 1.0000 + Cu Cu507 1.0 0.96858 0.65650 0.49995 1.0000 + Cu Cu508 1.0 0.96858 0.71900 0.49995 1.0000 + Cu Cu509 1.0 0.96858 0.78150 0.49995 1.0000 + Cu Cu510 1.0 0.96858 0.84400 0.49995 1.0000 + Cu Cu511 1.0 0.96858 0.90650 0.49995 1.0000 + Cu Cu512 1.0 0.96858 0.96900 0.49995 1.0000 + O O1 1.0 0.06161 0.04197 0.66012 1.0000 + O O2 1.0 0.06161 0.10447 0.66012 1.0000 + O O3 1.0 0.06161 0.16697 0.66012 1.0000 + O O4 1.0 0.06161 0.22947 0.66012 1.0000 + O O5 1.0 0.06161 0.29197 0.66012 1.0000 + O O6 1.0 0.06161 0.35447 0.66012 1.0000 + O O7 1.0 0.06161 0.41697 0.66012 1.0000 + O O8 1.0 0.06161 0.47947 0.66012 1.0000 + O O9 1.0 0.06161 0.54197 0.66012 1.0000 + O O10 1.0 0.06161 0.60447 0.66012 1.0000 + O O11 1.0 0.06161 0.66697 0.66012 1.0000 + O O12 1.0 0.06161 0.72947 0.66012 1.0000 + O O13 1.0 0.06161 0.79197 0.66012 1.0000 + O O14 1.0 0.06161 0.85447 0.66012 1.0000 + O O15 1.0 0.06161 0.91697 0.66012 1.0000 + O O16 1.0 0.06161 0.97947 0.66012 1.0000 + O O17 1.0 0.12411 0.04197 0.66012 1.0000 + O O18 1.0 0.12411 0.10447 0.66012 1.0000 + O O19 1.0 0.12411 0.16697 0.66012 1.0000 + O O20 1.0 0.12411 0.22947 0.66012 1.0000 + O O21 1.0 0.12411 0.29197 0.66012 1.0000 + O O22 1.0 0.12411 0.35447 0.66012 1.0000 + O O23 1.0 0.12411 0.41697 0.66012 1.0000 + O O24 1.0 0.12411 0.47947 0.66012 1.0000 + O O25 1.0 0.12411 0.54197 0.66012 1.0000 + O O26 1.0 0.12411 0.60447 0.66012 1.0000 + O O27 1.0 0.12411 0.66697 0.66012 1.0000 + O O28 1.0 0.12411 0.72947 0.66012 1.0000 + O O29 1.0 0.12411 0.79197 0.66012 1.0000 + O O30 1.0 0.12411 0.85447 0.66012 1.0000 + O O31 1.0 0.12411 0.91697 0.66012 1.0000 + O O32 1.0 0.12411 0.97947 0.66012 1.0000 + O O33 1.0 0.18661 0.04197 0.66012 1.0000 + O O34 1.0 0.18661 0.10447 0.66012 1.0000 + O O35 1.0 0.18661 0.16697 0.66012 1.0000 + O O36 1.0 0.18661 0.22947 0.66012 1.0000 + O O37 1.0 0.18661 0.29197 0.66012 1.0000 + O O38 1.0 0.18661 0.35447 0.66012 1.0000 + O O39 1.0 0.18661 0.41697 0.66012 1.0000 + O O40 1.0 0.18661 0.47947 0.66012 1.0000 + O O41 1.0 0.18661 0.54197 0.66012 1.0000 + O O42 1.0 0.18661 0.60447 0.66012 1.0000 + O O43 1.0 0.18661 0.66697 0.66012 1.0000 + O O44 1.0 0.18661 0.72947 0.66012 1.0000 + O O45 1.0 0.18661 0.79197 0.66012 1.0000 + O O46 1.0 0.18661 0.85447 0.66012 1.0000 + O O47 1.0 0.18661 0.91697 0.66012 1.0000 + O O48 1.0 0.18661 0.97947 0.66012 1.0000 + O O49 1.0 0.24911 0.04197 0.66012 1.0000 + O O50 1.0 0.24911 0.10447 0.66012 1.0000 + O O51 1.0 0.24911 0.16697 0.66012 1.0000 + O O52 1.0 0.24911 0.22947 0.66012 1.0000 + O O53 1.0 0.24911 0.29197 0.66012 1.0000 + O O54 1.0 0.24911 0.35447 0.66012 1.0000 + O O55 1.0 0.24911 0.41697 0.66012 1.0000 + O O56 1.0 0.24911 0.47947 0.66012 1.0000 + O O57 1.0 0.24911 0.54197 0.66012 1.0000 + O O58 1.0 0.24911 0.60447 0.66012 1.0000 + O O59 1.0 0.24911 0.66697 0.66012 1.0000 + O O60 1.0 0.24911 0.72947 0.66012 1.0000 + O O61 1.0 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0.41599 0.61533 1.0000 + O O1518 1.0 0.50943 0.49933 0.61533 1.0000 + O O1519 1.0 0.50943 0.58266 0.61533 1.0000 + O O1520 1.0 0.50943 0.66599 0.61533 1.0000 + O O1521 1.0 0.50943 0.74933 0.61533 1.0000 + O O1522 1.0 0.50943 0.83266 0.61533 1.0000 + O O1523 1.0 0.50943 0.91599 0.61533 1.0000 + O O1524 1.0 0.50943 0.99933 0.61533 1.0000 + O O1525 1.0 0.59276 0.08266 0.61533 1.0000 + O O1526 1.0 0.59276 0.16599 0.61533 1.0000 + O O1527 1.0 0.59276 0.24933 0.61533 1.0000 + O O1528 1.0 0.59276 0.33266 0.61533 1.0000 + O O1529 1.0 0.59276 0.41599 0.61533 1.0000 + O O1530 1.0 0.59276 0.49933 0.61533 1.0000 + O O1531 1.0 0.59276 0.58266 0.61533 1.0000 + O O1532 1.0 0.59276 0.66599 0.61533 1.0000 + O O1533 1.0 0.59276 0.74933 0.61533 1.0000 + O O1534 1.0 0.59276 0.83266 0.61533 1.0000 + O O1535 1.0 0.59276 0.91599 0.61533 1.0000 + O O1536 1.0 0.59276 0.99933 0.61533 1.0000 + O O1537 1.0 0.67609 0.08266 0.61533 1.0000 + O O1538 1.0 0.67609 0.16599 0.61533 1.0000 + O O1539 1.0 0.67609 0.24933 0.61533 1.0000 + O O1540 1.0 0.67609 0.33266 0.61533 1.0000 + O O1541 1.0 0.67609 0.41599 0.61533 1.0000 + O O1542 1.0 0.67609 0.49933 0.61533 1.0000 + O O1543 1.0 0.67609 0.58266 0.61533 1.0000 + O O1544 1.0 0.67609 0.66599 0.61533 1.0000 + O O1545 1.0 0.67609 0.74933 0.61533 1.0000 + O O1546 1.0 0.67609 0.83266 0.61533 1.0000 + O O1547 1.0 0.67609 0.91599 0.61533 1.0000 + O O1548 1.0 0.67609 0.99933 0.61533 1.0000 + O O1549 1.0 0.75943 0.08266 0.61533 1.0000 + O O1550 1.0 0.75943 0.16599 0.61533 1.0000 + O O1551 1.0 0.75943 0.24933 0.61533 1.0000 + O O1552 1.0 0.75943 0.33266 0.61533 1.0000 + O O1553 1.0 0.75943 0.41599 0.61533 1.0000 + O O1554 1.0 0.75943 0.49933 0.61533 1.0000 + O O1555 1.0 0.75943 0.58266 0.61533 1.0000 + O O1556 1.0 0.75943 0.66599 0.61533 1.0000 + O O1557 1.0 0.75943 0.74933 0.61533 1.0000 + O O1558 1.0 0.75943 0.83266 0.61533 1.0000 + O O1559 1.0 0.75943 0.91599 0.61533 1.0000 + O O1560 1.0 0.75943 0.99933 0.61533 1.0000 + O O1561 1.0 0.84276 0.08266 0.61533 1.0000 + O O1562 1.0 0.84276 0.16599 0.61533 1.0000 + O O1563 1.0 0.84276 0.24933 0.61533 1.0000 + O O1564 1.0 0.84276 0.33266 0.61533 1.0000 + O O1565 1.0 0.84276 0.41599 0.61533 1.0000 + O O1566 1.0 0.84276 0.49933 0.61533 1.0000 + O O1567 1.0 0.84276 0.58266 0.61533 1.0000 + O O1568 1.0 0.84276 0.66599 0.61533 1.0000 + O O1569 1.0 0.84276 0.74933 0.61533 1.0000 + O O1570 1.0 0.84276 0.83266 0.61533 1.0000 + O O1571 1.0 0.84276 0.91599 0.61533 1.0000 + O O1572 1.0 0.84276 0.99933 0.61533 1.0000 + O O1573 1.0 0.92609 0.08266 0.61533 1.0000 + O O1574 1.0 0.92609 0.16599 0.61533 1.0000 + O O1575 1.0 0.92609 0.24933 0.61533 1.0000 + O O1576 1.0 0.92609 0.33266 0.61533 1.0000 + O O1577 1.0 0.92609 0.41599 0.61533 1.0000 + O O1578 1.0 0.92609 0.49933 0.61533 1.0000 + O O1579 1.0 0.92609 0.58266 0.61533 1.0000 + O O1580 1.0 0.92609 0.66599 0.61533 1.0000 + O O1581 1.0 0.92609 0.74933 0.61533 1.0000 + O O1582 1.0 0.92609 0.83266 0.61533 1.0000 + O O1583 1.0 0.92609 0.91599 0.61533 1.0000 + O O1584 1.0 0.92609 0.99933 0.61533 1.0000 + O O1585 1.0 0.05109 0.05034 0.38467 1.0000 + O O1586 1.0 0.05109 0.13367 0.38467 1.0000 + O O1587 1.0 0.05109 0.21700 0.38467 1.0000 + O O1588 1.0 0.05109 0.30034 0.38467 1.0000 + O O1589 1.0 0.05109 0.38367 0.38467 1.0000 + O O1590 1.0 0.05109 0.46700 0.38467 1.0000 + O O1591 1.0 0.05109 0.55034 0.38467 1.0000 + O O1592 1.0 0.05109 0.63367 0.38467 1.0000 + O O1593 1.0 0.05109 0.71700 0.38467 1.0000 + O O1594 1.0 0.05109 0.80034 0.38467 1.0000 + O O1595 1.0 0.05109 0.88367 0.38467 1.0000 + O O1596 1.0 0.05109 0.96700 0.38467 1.0000 + O O1597 1.0 0.13443 0.05034 0.38467 1.0000 + O O1598 1.0 0.13443 0.13367 0.38467 1.0000 + O O1599 1.0 0.13443 0.21700 0.38467 1.0000 + O O1600 1.0 0.13443 0.30034 0.38467 1.0000 + O O1601 1.0 0.13443 0.38367 0.38467 1.0000 + O O1602 1.0 0.13443 0.46700 0.38467 1.0000 + O O1603 1.0 0.13443 0.55034 0.38467 1.0000 + O O1604 1.0 0.13443 0.63367 0.38467 1.0000 + O O1605 1.0 0.13443 0.71700 0.38467 1.0000 + O O1606 1.0 0.13443 0.80034 0.38467 1.0000 + O O1607 1.0 0.13443 0.88367 0.38467 1.0000 + O O1608 1.0 0.13443 0.96700 0.38467 1.0000 + O O1609 1.0 0.21776 0.05034 0.38467 1.0000 + O O1610 1.0 0.21776 0.13367 0.38467 1.0000 + O O1611 1.0 0.21776 0.21700 0.38467 1.0000 + O O1612 1.0 0.21776 0.30034 0.38467 1.0000 + O O1613 1.0 0.21776 0.38367 0.38467 1.0000 + O O1614 1.0 0.21776 0.46700 0.38467 1.0000 + O O1615 1.0 0.21776 0.55034 0.38467 1.0000 + O O1616 1.0 0.21776 0.63367 0.38467 1.0000 + O O1617 1.0 0.21776 0.71700 0.38467 1.0000 + O O1618 1.0 0.21776 0.80034 0.38467 1.0000 + O O1619 1.0 0.21776 0.88367 0.38467 1.0000 + O O1620 1.0 0.21776 0.96700 0.38467 1.0000 + O O1621 1.0 0.30109 0.05034 0.38467 1.0000 + O O1622 1.0 0.30109 0.13367 0.38467 1.0000 + O O1623 1.0 0.30109 0.21700 0.38467 1.0000 + O O1624 1.0 0.30109 0.30034 0.38467 1.0000 + O O1625 1.0 0.30109 0.38367 0.38467 1.0000 + O O1626 1.0 0.30109 0.46700 0.38467 1.0000 + O O1627 1.0 0.30109 0.55034 0.38467 1.0000 + O O1628 1.0 0.30109 0.63367 0.38467 1.0000 + O O1629 1.0 0.30109 0.71700 0.38467 1.0000 + O O1630 1.0 0.30109 0.80034 0.38467 1.0000 + O O1631 1.0 0.30109 0.88367 0.38467 1.0000 + O O1632 1.0 0.30109 0.96700 0.38467 1.0000 + O O1633 1.0 0.38443 0.05034 0.38467 1.0000 + O O1634 1.0 0.38443 0.13367 0.38467 1.0000 + O O1635 1.0 0.38443 0.21700 0.38467 1.0000 + O O1636 1.0 0.38443 0.30034 0.38467 1.0000 + O O1637 1.0 0.38443 0.38367 0.38467 1.0000 + O O1638 1.0 0.38443 0.46700 0.38467 1.0000 + O O1639 1.0 0.38443 0.55034 0.38467 1.0000 + O O1640 1.0 0.38443 0.63367 0.38467 1.0000 + O O1641 1.0 0.38443 0.71700 0.38467 1.0000 + O O1642 1.0 0.38443 0.80034 0.38467 1.0000 + O O1643 1.0 0.38443 0.88367 0.38467 1.0000 + O O1644 1.0 0.38443 0.96700 0.38467 1.0000 + O O1645 1.0 0.46776 0.05034 0.38467 1.0000 + O O1646 1.0 0.46776 0.13367 0.38467 1.0000 + O O1647 1.0 0.46776 0.21700 0.38467 1.0000 + O O1648 1.0 0.46776 0.30034 0.38467 1.0000 + O O1649 1.0 0.46776 0.38367 0.38467 1.0000 + O O1650 1.0 0.46776 0.46700 0.38467 1.0000 + O O1651 1.0 0.46776 0.55034 0.38467 1.0000 + O O1652 1.0 0.46776 0.63367 0.38467 1.0000 + O O1653 1.0 0.46776 0.71700 0.38467 1.0000 + O O1654 1.0 0.46776 0.80034 0.38467 1.0000 + O O1655 1.0 0.46776 0.88367 0.38467 1.0000 + O O1656 1.0 0.46776 0.96700 0.38467 1.0000 + O O1657 1.0 0.55109 0.05034 0.38467 1.0000 + O O1658 1.0 0.55109 0.13367 0.38467 1.0000 + O O1659 1.0 0.55109 0.21700 0.38467 1.0000 + O O1660 1.0 0.55109 0.30034 0.38467 1.0000 + O O1661 1.0 0.55109 0.38367 0.38467 1.0000 + O O1662 1.0 0.55109 0.46700 0.38467 1.0000 + O O1663 1.0 0.55109 0.55034 0.38467 1.0000 + O O1664 1.0 0.55109 0.63367 0.38467 1.0000 + O O1665 1.0 0.55109 0.71700 0.38467 1.0000 + O O1666 1.0 0.55109 0.80034 0.38467 1.0000 + O O1667 1.0 0.55109 0.88367 0.38467 1.0000 + O O1668 1.0 0.55109 0.96700 0.38467 1.0000 + O O1669 1.0 0.63443 0.05034 0.38467 1.0000 + O O1670 1.0 0.63443 0.13367 0.38467 1.0000 + O O1671 1.0 0.63443 0.21700 0.38467 1.0000 + O O1672 1.0 0.63443 0.30034 0.38467 1.0000 + O O1673 1.0 0.63443 0.38367 0.38467 1.0000 + O O1674 1.0 0.63443 0.46700 0.38467 1.0000 + O O1675 1.0 0.63443 0.55034 0.38467 1.0000 + O O1676 1.0 0.63443 0.63367 0.38467 1.0000 + O O1677 1.0 0.63443 0.71700 0.38467 1.0000 + O O1678 1.0 0.63443 0.80034 0.38467 1.0000 + O O1679 1.0 0.63443 0.88367 0.38467 1.0000 + O O1680 1.0 0.63443 0.96700 0.38467 1.0000 + O O1681 1.0 0.71776 0.05034 0.38467 1.0000 + O O1682 1.0 0.71776 0.13367 0.38467 1.0000 + O O1683 1.0 0.71776 0.21700 0.38467 1.0000 + O O1684 1.0 0.71776 0.30034 0.38467 1.0000 + O O1685 1.0 0.71776 0.38367 0.38467 1.0000 + O O1686 1.0 0.71776 0.46700 0.38467 1.0000 + O O1687 1.0 0.71776 0.55034 0.38467 1.0000 + O O1688 1.0 0.71776 0.63367 0.38467 1.0000 + O O1689 1.0 0.71776 0.71700 0.38467 1.0000 + O O1690 1.0 0.71776 0.80034 0.38467 1.0000 + O O1691 1.0 0.71776 0.88367 0.38467 1.0000 + O O1692 1.0 0.71776 0.96700 0.38467 1.0000 + O O1693 1.0 0.80109 0.05034 0.38467 1.0000 + O O1694 1.0 0.80109 0.13367 0.38467 1.0000 + O O1695 1.0 0.80109 0.21700 0.38467 1.0000 + O O1696 1.0 0.80109 0.30034 0.38467 1.0000 + O O1697 1.0 0.80109 0.38367 0.38467 1.0000 + O O1698 1.0 0.80109 0.46700 0.38467 1.0000 + O O1699 1.0 0.80109 0.55034 0.38467 1.0000 + O O1700 1.0 0.80109 0.63367 0.38467 1.0000 + O O1701 1.0 0.80109 0.71700 0.38467 1.0000 + O O1702 1.0 0.80109 0.80034 0.38467 1.0000 + O O1703 1.0 0.80109 0.88367 0.38467 1.0000 + O O1704 1.0 0.80109 0.96700 0.38467 1.0000 + O O1705 1.0 0.88443 0.05034 0.38467 1.0000 + O O1706 1.0 0.88443 0.13367 0.38467 1.0000 + O O1707 1.0 0.88443 0.21700 0.38467 1.0000 + O O1708 1.0 0.88443 0.30034 0.38467 1.0000 + O O1709 1.0 0.88443 0.38367 0.38467 1.0000 + O O1710 1.0 0.88443 0.46700 0.38467 1.0000 + O O1711 1.0 0.88443 0.55034 0.38467 1.0000 + O O1712 1.0 0.88443 0.63367 0.38467 1.0000 + O O1713 1.0 0.88443 0.71700 0.38467 1.0000 + O O1714 1.0 0.88443 0.80034 0.38467 1.0000 + O O1715 1.0 0.88443 0.88367 0.38467 1.0000 + O O1716 1.0 0.88443 0.96700 0.38467 1.0000 + O O1717 1.0 0.96776 0.05034 0.38467 1.0000 + O O1718 1.0 0.96776 0.13367 0.38467 1.0000 + O O1719 1.0 0.96776 0.21700 0.38467 1.0000 + O O1720 1.0 0.96776 0.30034 0.38467 1.0000 + O O1721 1.0 0.96776 0.38367 0.38467 1.0000 + O O1722 1.0 0.96776 0.46700 0.38467 1.0000 + O O1723 1.0 0.96776 0.55034 0.38467 1.0000 + O O1724 1.0 0.96776 0.63367 0.38467 1.0000 + O O1725 1.0 0.96776 0.71700 0.38467 1.0000 + O O1726 1.0 0.96776 0.80034 0.38467 1.0000 + O O1727 1.0 0.96776 0.88367 0.38467 1.0000 + O O1728 1.0 0.96776 0.96700 0.38467 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4863_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4863_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..ef54183134b729f8805691c926a2105c4e6ab89a --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4863_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Ni256Te256O1024 +_chemical_formula_sum "Ni256 Te256 O1024" +_cell_length_a 49.5091 +_cell_length_b 85.325 +_cell_length_c 6.14824 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Ni Ni1 1.0 0.03125 0.05291 0.50000 1.0000 + Ni Ni2 1.0 0.03125 0.11541 0.50000 1.0000 + Ni Ni3 1.0 0.03125 0.17791 0.50000 1.0000 + Ni Ni4 1.0 0.03125 0.24041 0.50000 1.0000 + Ni Ni5 1.0 0.03125 0.30291 0.50000 1.0000 + Ni Ni6 1.0 0.03125 0.36541 0.50000 1.0000 + Ni Ni7 1.0 0.03125 0.42791 0.50000 1.0000 + Ni Ni8 1.0 0.03125 0.49041 0.50000 1.0000 + Ni Ni9 1.0 0.03125 0.55291 0.50000 1.0000 + Ni Ni10 1.0 0.03125 0.61541 0.50000 1.0000 + Ni Ni11 1.0 0.03125 0.67791 0.50000 1.0000 + Ni Ni12 1.0 0.03125 0.74041 0.50000 1.0000 + Ni Ni13 1.0 0.03125 0.80291 0.50000 1.0000 + Ni Ni14 1.0 0.03125 0.86541 0.50000 1.0000 + Ni Ni15 1.0 0.03125 0.92791 0.50000 1.0000 + Ni Ni16 1.0 0.03125 0.99041 0.50000 1.0000 + Ni Ni17 1.0 0.09375 0.05291 0.50000 1.0000 + Ni Ni18 1.0 0.09375 0.11541 0.50000 1.0000 + Ni Ni19 1.0 0.09375 0.17791 0.50000 1.0000 + Ni Ni20 1.0 0.09375 0.24041 0.50000 1.0000 + Ni Ni21 1.0 0.09375 0.30291 0.50000 1.0000 + Ni Ni22 1.0 0.09375 0.36541 0.50000 1.0000 + Ni Ni23 1.0 0.09375 0.42791 0.50000 1.0000 + Ni Ni24 1.0 0.09375 0.49041 0.50000 1.0000 + Ni Ni25 1.0 0.09375 0.55291 0.50000 1.0000 + Ni Ni26 1.0 0.09375 0.61541 0.50000 1.0000 + Ni Ni27 1.0 0.09375 0.67791 0.50000 1.0000 + Ni Ni28 1.0 0.09375 0.74041 0.50000 1.0000 + Ni Ni29 1.0 0.09375 0.80291 0.50000 1.0000 + Ni Ni30 1.0 0.09375 0.86541 0.50000 1.0000 + Ni Ni31 1.0 0.09375 0.92791 0.50000 1.0000 + Ni Ni32 1.0 0.09375 0.99041 0.50000 1.0000 + Ni Ni33 1.0 0.15625 0.05291 0.50000 1.0000 + Ni Ni34 1.0 0.15625 0.11541 0.50000 1.0000 + Ni Ni35 1.0 0.15625 0.17791 0.50000 1.0000 + Ni Ni36 1.0 0.15625 0.24041 0.50000 1.0000 + Ni Ni37 1.0 0.15625 0.30291 0.50000 1.0000 + Ni Ni38 1.0 0.15625 0.36541 0.50000 1.0000 + Ni Ni39 1.0 0.15625 0.42791 0.50000 1.0000 + Ni Ni40 1.0 0.15625 0.49041 0.50000 1.0000 + Ni Ni41 1.0 0.15625 0.55291 0.50000 1.0000 + Ni Ni42 1.0 0.15625 0.61541 0.50000 1.0000 + Ni Ni43 1.0 0.15625 0.67791 0.50000 1.0000 + Ni Ni44 1.0 0.15625 0.74041 0.50000 1.0000 + Ni Ni45 1.0 0.15625 0.80291 0.50000 1.0000 + Ni Ni46 1.0 0.15625 0.86541 0.50000 1.0000 + Ni Ni47 1.0 0.15625 0.92791 0.50000 1.0000 + Ni Ni48 1.0 0.15625 0.99041 0.50000 1.0000 + Ni Ni49 1.0 0.21875 0.05291 0.50000 1.0000 + Ni Ni50 1.0 0.21875 0.11541 0.50000 1.0000 + Ni Ni51 1.0 0.21875 0.17791 0.50000 1.0000 + Ni Ni52 1.0 0.21875 0.24041 0.50000 1.0000 + Ni Ni53 1.0 0.21875 0.30291 0.50000 1.0000 + Ni Ni54 1.0 0.21875 0.36541 0.50000 1.0000 + Ni Ni55 1.0 0.21875 0.42791 0.50000 1.0000 + Ni Ni56 1.0 0.21875 0.49041 0.50000 1.0000 + Ni Ni57 1.0 0.21875 0.55291 0.50000 1.0000 + Ni Ni58 1.0 0.21875 0.61541 0.50000 1.0000 + Ni Ni59 1.0 0.21875 0.67791 0.50000 1.0000 + Ni Ni60 1.0 0.21875 0.74041 0.50000 1.0000 + Ni Ni61 1.0 0.21875 0.80291 0.50000 1.0000 + Ni Ni62 1.0 0.21875 0.86541 0.50000 1.0000 + Ni Ni63 1.0 0.21875 0.92791 0.50000 1.0000 + Ni Ni64 1.0 0.21875 0.99041 0.50000 1.0000 + Ni Ni65 1.0 0.28125 0.05291 0.50000 1.0000 + Ni Ni66 1.0 0.28125 0.11541 0.50000 1.0000 + Ni Ni67 1.0 0.28125 0.17791 0.50000 1.0000 + Ni Ni68 1.0 0.28125 0.24041 0.50000 1.0000 + Ni Ni69 1.0 0.28125 0.30291 0.50000 1.0000 + Ni Ni70 1.0 0.28125 0.36541 0.50000 1.0000 + Ni Ni71 1.0 0.28125 0.42791 0.50000 1.0000 + Ni Ni72 1.0 0.28125 0.49041 0.50000 1.0000 + Ni Ni73 1.0 0.28125 0.55291 0.50000 1.0000 + Ni Ni74 1.0 0.28125 0.61541 0.50000 1.0000 + Ni Ni75 1.0 0.28125 0.67791 0.50000 1.0000 + Ni Ni76 1.0 0.28125 0.74041 0.50000 1.0000 + Ni Ni77 1.0 0.28125 0.80291 0.50000 1.0000 + Ni Ni78 1.0 0.28125 0.86541 0.50000 1.0000 + Ni Ni79 1.0 0.28125 0.92791 0.50000 1.0000 + Ni Ni80 1.0 0.28125 0.99041 0.50000 1.0000 + Ni Ni81 1.0 0.34375 0.05291 0.50000 1.0000 + Ni Ni82 1.0 0.34375 0.11541 0.50000 1.0000 + Ni Ni83 1.0 0.34375 0.17791 0.50000 1.0000 + Ni Ni84 1.0 0.34375 0.24041 0.50000 1.0000 + Ni Ni85 1.0 0.34375 0.30291 0.50000 1.0000 + Ni Ni86 1.0 0.34375 0.36541 0.50000 1.0000 + Ni Ni87 1.0 0.34375 0.42791 0.50000 1.0000 + Ni Ni88 1.0 0.34375 0.49041 0.50000 1.0000 + Ni Ni89 1.0 0.34375 0.55291 0.50000 1.0000 + Ni Ni90 1.0 0.34375 0.61541 0.50000 1.0000 + Ni Ni91 1.0 0.34375 0.67791 0.50000 1.0000 + Ni Ni92 1.0 0.34375 0.74041 0.50000 1.0000 + Ni Ni93 1.0 0.34375 0.80291 0.50000 1.0000 + Ni Ni94 1.0 0.34375 0.86541 0.50000 1.0000 + Ni Ni95 1.0 0.34375 0.92791 0.50000 1.0000 + Ni Ni96 1.0 0.34375 0.99041 0.50000 1.0000 + Ni Ni97 1.0 0.40625 0.05291 0.50000 1.0000 + Ni Ni98 1.0 0.40625 0.11541 0.50000 1.0000 + Ni Ni99 1.0 0.40625 0.17791 0.50000 1.0000 + Ni Ni100 1.0 0.40625 0.24041 0.50000 1.0000 + Ni Ni101 1.0 0.40625 0.30291 0.50000 1.0000 + Ni Ni102 1.0 0.40625 0.36541 0.50000 1.0000 + Ni Ni103 1.0 0.40625 0.42791 0.50000 1.0000 + Ni Ni104 1.0 0.40625 0.49041 0.50000 1.0000 + Ni Ni105 1.0 0.40625 0.55291 0.50000 1.0000 + Ni Ni106 1.0 0.40625 0.61541 0.50000 1.0000 + Ni Ni107 1.0 0.40625 0.67791 0.50000 1.0000 + Ni Ni108 1.0 0.40625 0.74041 0.50000 1.0000 + Ni Ni109 1.0 0.40625 0.80291 0.50000 1.0000 + Ni Ni110 1.0 0.40625 0.86541 0.50000 1.0000 + Ni Ni111 1.0 0.40625 0.92791 0.50000 1.0000 + Ni Ni112 1.0 0.40625 0.99041 0.50000 1.0000 + Ni Ni113 1.0 0.46875 0.05291 0.50000 1.0000 + Ni Ni114 1.0 0.46875 0.11541 0.50000 1.0000 + Ni Ni115 1.0 0.46875 0.17791 0.50000 1.0000 + Ni Ni116 1.0 0.46875 0.24041 0.50000 1.0000 + Ni Ni117 1.0 0.46875 0.30291 0.50000 1.0000 + Ni Ni118 1.0 0.46875 0.36541 0.50000 1.0000 + Ni Ni119 1.0 0.46875 0.42791 0.50000 1.0000 + Ni Ni120 1.0 0.46875 0.49041 0.50000 1.0000 + Ni Ni121 1.0 0.46875 0.55291 0.50000 1.0000 + Ni Ni122 1.0 0.46875 0.61541 0.50000 1.0000 + Ni Ni123 1.0 0.46875 0.67791 0.50000 1.0000 + Ni Ni124 1.0 0.46875 0.74041 0.50000 1.0000 + Ni Ni125 1.0 0.46875 0.80291 0.50000 1.0000 + Ni Ni126 1.0 0.46875 0.86541 0.50000 1.0000 + Ni Ni127 1.0 0.46875 0.92791 0.50000 1.0000 + Ni Ni128 1.0 0.46875 0.99041 0.50000 1.0000 + Ni Ni129 1.0 0.53125 0.05291 0.50000 1.0000 + Ni Ni130 1.0 0.53125 0.11541 0.50000 1.0000 + Ni Ni131 1.0 0.53125 0.17791 0.50000 1.0000 + Ni Ni132 1.0 0.53125 0.24041 0.50000 1.0000 + Ni Ni133 1.0 0.53125 0.30291 0.50000 1.0000 + Ni Ni134 1.0 0.53125 0.36541 0.50000 1.0000 + Ni Ni135 1.0 0.53125 0.42791 0.50000 1.0000 + Ni Ni136 1.0 0.53125 0.49041 0.50000 1.0000 + Ni Ni137 1.0 0.53125 0.55291 0.50000 1.0000 + Ni Ni138 1.0 0.53125 0.61541 0.50000 1.0000 + Ni Ni139 1.0 0.53125 0.67791 0.50000 1.0000 + Ni Ni140 1.0 0.53125 0.74041 0.50000 1.0000 + Ni Ni141 1.0 0.53125 0.80291 0.50000 1.0000 + Ni Ni142 1.0 0.53125 0.86541 0.50000 1.0000 + Ni Ni143 1.0 0.53125 0.92791 0.50000 1.0000 + Ni Ni144 1.0 0.53125 0.99041 0.50000 1.0000 + Ni Ni145 1.0 0.59375 0.05291 0.50000 1.0000 + Ni Ni146 1.0 0.59375 0.11541 0.50000 1.0000 + Ni Ni147 1.0 0.59375 0.17791 0.50000 1.0000 + Ni Ni148 1.0 0.59375 0.24041 0.50000 1.0000 + Ni Ni149 1.0 0.59375 0.30291 0.50000 1.0000 + Ni Ni150 1.0 0.59375 0.36541 0.50000 1.0000 + Ni Ni151 1.0 0.59375 0.42791 0.50000 1.0000 + Ni Ni152 1.0 0.59375 0.49041 0.50000 1.0000 + Ni Ni153 1.0 0.59375 0.55291 0.50000 1.0000 + Ni Ni154 1.0 0.59375 0.61541 0.50000 1.0000 + Ni Ni155 1.0 0.59375 0.67791 0.50000 1.0000 + Ni Ni156 1.0 0.59375 0.74041 0.50000 1.0000 + Ni Ni157 1.0 0.59375 0.80291 0.50000 1.0000 + Ni Ni158 1.0 0.59375 0.86541 0.50000 1.0000 + Ni Ni159 1.0 0.59375 0.92791 0.50000 1.0000 + Ni Ni160 1.0 0.59375 0.99041 0.50000 1.0000 + Ni Ni161 1.0 0.65625 0.05291 0.50000 1.0000 + Ni Ni162 1.0 0.65625 0.11541 0.50000 1.0000 + Ni Ni163 1.0 0.65625 0.17791 0.50000 1.0000 + Ni Ni164 1.0 0.65625 0.24041 0.50000 1.0000 + Ni Ni165 1.0 0.65625 0.30291 0.50000 1.0000 + Ni Ni166 1.0 0.65625 0.36541 0.50000 1.0000 + Ni Ni167 1.0 0.65625 0.42791 0.50000 1.0000 + Ni Ni168 1.0 0.65625 0.49041 0.50000 1.0000 + Ni Ni169 1.0 0.65625 0.55291 0.50000 1.0000 + Ni Ni170 1.0 0.65625 0.61541 0.50000 1.0000 + Ni Ni171 1.0 0.65625 0.67791 0.50000 1.0000 + Ni Ni172 1.0 0.65625 0.74041 0.50000 1.0000 + Ni Ni173 1.0 0.65625 0.80291 0.50000 1.0000 + Ni Ni174 1.0 0.65625 0.86541 0.50000 1.0000 + Ni Ni175 1.0 0.65625 0.92791 0.50000 1.0000 + Ni Ni176 1.0 0.65625 0.99041 0.50000 1.0000 + Ni Ni177 1.0 0.71875 0.05291 0.50000 1.0000 + Ni Ni178 1.0 0.71875 0.11541 0.50000 1.0000 + Ni Ni179 1.0 0.71875 0.17791 0.50000 1.0000 + Ni Ni180 1.0 0.71875 0.24041 0.50000 1.0000 + Ni Ni181 1.0 0.71875 0.30291 0.50000 1.0000 + Ni Ni182 1.0 0.71875 0.36541 0.50000 1.0000 + Ni Ni183 1.0 0.71875 0.42791 0.50000 1.0000 + Ni Ni184 1.0 0.71875 0.49041 0.50000 1.0000 + Ni Ni185 1.0 0.71875 0.55291 0.50000 1.0000 + Ni Ni186 1.0 0.71875 0.61541 0.50000 1.0000 + Ni Ni187 1.0 0.71875 0.67791 0.50000 1.0000 + Ni Ni188 1.0 0.71875 0.74041 0.50000 1.0000 + Ni Ni189 1.0 0.71875 0.80291 0.50000 1.0000 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0.50000 1.0000 + Ni Ni212 1.0 0.84375 0.24041 0.50000 1.0000 + Ni Ni213 1.0 0.84375 0.30291 0.50000 1.0000 + Ni Ni214 1.0 0.84375 0.36541 0.50000 1.0000 + Ni Ni215 1.0 0.84375 0.42791 0.50000 1.0000 + Ni Ni216 1.0 0.84375 0.49041 0.50000 1.0000 + Ni Ni217 1.0 0.84375 0.55291 0.50000 1.0000 + Ni Ni218 1.0 0.84375 0.61541 0.50000 1.0000 + Ni Ni219 1.0 0.84375 0.67791 0.50000 1.0000 + Ni Ni220 1.0 0.84375 0.74041 0.50000 1.0000 + Ni Ni221 1.0 0.84375 0.80291 0.50000 1.0000 + Ni Ni222 1.0 0.84375 0.86541 0.50000 1.0000 + Ni Ni223 1.0 0.84375 0.92791 0.50000 1.0000 + Ni Ni224 1.0 0.84375 0.99041 0.50000 1.0000 + Ni Ni225 1.0 0.90625 0.05291 0.50000 1.0000 + Ni Ni226 1.0 0.90625 0.11541 0.50000 1.0000 + Ni Ni227 1.0 0.90625 0.17791 0.50000 1.0000 + Ni Ni228 1.0 0.90625 0.24041 0.50000 1.0000 + Ni Ni229 1.0 0.90625 0.30291 0.50000 1.0000 + Ni Ni230 1.0 0.90625 0.36541 0.50000 1.0000 + Ni Ni231 1.0 0.90625 0.42791 0.50000 1.0000 + Ni Ni232 1.0 0.90625 0.49041 0.50000 1.0000 + Ni Ni233 1.0 0.90625 0.55291 0.50000 1.0000 + Ni Ni234 1.0 0.90625 0.61541 0.50000 1.0000 + Ni Ni235 1.0 0.90625 0.67791 0.50000 1.0000 + Ni Ni236 1.0 0.90625 0.74041 0.50000 1.0000 + Ni Ni237 1.0 0.90625 0.80291 0.50000 1.0000 + Ni Ni238 1.0 0.90625 0.86541 0.50000 1.0000 + Ni Ni239 1.0 0.90625 0.92791 0.50000 1.0000 + Ni Ni240 1.0 0.90625 0.99041 0.50000 1.0000 + Ni Ni241 1.0 0.96875 0.05291 0.50000 1.0000 + Ni Ni242 1.0 0.96875 0.11541 0.50000 1.0000 + Ni Ni243 1.0 0.96875 0.17791 0.50000 1.0000 + Ni Ni244 1.0 0.96875 0.24041 0.50000 1.0000 + Ni Ni245 1.0 0.96875 0.30291 0.50000 1.0000 + Ni Ni246 1.0 0.96875 0.36541 0.50000 1.0000 + Ni Ni247 1.0 0.96875 0.42791 0.50000 1.0000 + Ni Ni248 1.0 0.96875 0.49041 0.50000 1.0000 + Ni Ni249 1.0 0.96875 0.55291 0.50000 1.0000 + Ni Ni250 1.0 0.96875 0.61541 0.50000 1.0000 + Ni Ni251 1.0 0.96875 0.67791 0.50000 1.0000 + Ni Ni252 1.0 0.96875 0.74041 0.50000 1.0000 + Ni Ni253 1.0 0.96875 0.80291 0.50000 1.0000 + Ni Ni254 1.0 0.96875 0.86541 0.50000 1.0000 + Ni Ni255 1.0 0.96875 0.92791 0.50000 1.0000 + Ni Ni256 1.0 0.96875 0.99041 0.50000 1.0000 + Te Te1 1.0 0.00000 0.02166 0.50000 1.0000 + Te Te2 1.0 0.00000 0.08416 0.50000 1.0000 + Te Te3 1.0 0.00000 0.14666 0.50000 1.0000 + Te Te4 1.0 0.00000 0.20916 0.50000 1.0000 + Te Te5 1.0 0.00000 0.27166 0.50000 1.0000 + Te Te6 1.0 0.00000 0.33416 0.50000 1.0000 + Te Te7 1.0 0.00000 0.39666 0.50000 1.0000 + Te Te8 1.0 0.00000 0.45916 0.50000 1.0000 + Te Te9 1.0 0.00000 0.52166 0.50000 1.0000 + Te Te10 1.0 0.00000 0.58416 0.50000 1.0000 + Te Te11 1.0 0.00000 0.64666 0.50000 1.0000 + Te Te12 1.0 0.00000 0.70916 0.50000 1.0000 + Te Te13 1.0 0.00000 0.77166 0.50000 1.0000 + Te Te14 1.0 0.00000 0.83416 0.50000 1.0000 + Te Te15 1.0 0.00000 0.89666 0.50000 1.0000 + Te Te16 1.0 0.00000 0.95916 0.50000 1.0000 + Te Te17 1.0 0.06250 0.02166 0.50000 1.0000 + Te Te18 1.0 0.06250 0.08416 0.50000 1.0000 + Te Te19 1.0 0.06250 0.14666 0.50000 1.0000 + Te Te20 1.0 0.06250 0.20916 0.50000 1.0000 + Te Te21 1.0 0.06250 0.27166 0.50000 1.0000 + Te Te22 1.0 0.06250 0.33416 0.50000 1.0000 + Te Te23 1.0 0.06250 0.39666 0.50000 1.0000 + Te Te24 1.0 0.06250 0.45916 0.50000 1.0000 + Te Te25 1.0 0.06250 0.52166 0.50000 1.0000 + Te Te26 1.0 0.06250 0.58416 0.50000 1.0000 + Te Te27 1.0 0.06250 0.64666 0.50000 1.0000 + Te Te28 1.0 0.06250 0.70916 0.50000 1.0000 + Te Te29 1.0 0.06250 0.77166 0.50000 1.0000 + Te Te30 1.0 0.06250 0.83416 0.50000 1.0000 + Te Te31 1.0 0.06250 0.89666 0.50000 1.0000 + Te Te32 1.0 0.06250 0.95916 0.50000 1.0000 + Te Te33 1.0 0.12500 0.02166 0.50000 1.0000 + Te Te34 1.0 0.12500 0.08416 0.50000 1.0000 + Te Te35 1.0 0.12500 0.14666 0.50000 1.0000 + Te Te36 1.0 0.12500 0.20916 0.50000 1.0000 + Te Te37 1.0 0.12500 0.27166 0.50000 1.0000 + Te Te38 1.0 0.12500 0.33416 0.50000 1.0000 + Te Te39 1.0 0.12500 0.39666 0.50000 1.0000 + Te Te40 1.0 0.12500 0.45916 0.50000 1.0000 + Te Te41 1.0 0.12500 0.52166 0.50000 1.0000 + Te Te42 1.0 0.12500 0.58416 0.50000 1.0000 + Te Te43 1.0 0.12500 0.64666 0.50000 1.0000 + Te Te44 1.0 0.12500 0.70916 0.50000 1.0000 + Te Te45 1.0 0.12500 0.77166 0.50000 1.0000 + Te Te46 1.0 0.12500 0.83416 0.50000 1.0000 + Te Te47 1.0 0.12500 0.89666 0.50000 1.0000 + Te Te48 1.0 0.12500 0.95916 0.50000 1.0000 + Te Te49 1.0 0.18750 0.02166 0.50000 1.0000 + Te Te50 1.0 0.18750 0.08416 0.50000 1.0000 + Te Te51 1.0 0.18750 0.14666 0.50000 1.0000 + Te Te52 1.0 0.18750 0.20916 0.50000 1.0000 + Te Te53 1.0 0.18750 0.27166 0.50000 1.0000 + Te Te54 1.0 0.18750 0.33416 0.50000 1.0000 + Te Te55 1.0 0.18750 0.39666 0.50000 1.0000 + Te Te56 1.0 0.18750 0.45916 0.50000 1.0000 + Te Te57 1.0 0.18750 0.52166 0.50000 1.0000 + Te Te58 1.0 0.18750 0.58416 0.50000 1.0000 + Te Te59 1.0 0.18750 0.64666 0.50000 1.0000 + Te Te60 1.0 0.18750 0.70916 0.50000 1.0000 + Te Te61 1.0 0.18750 0.77166 0.50000 1.0000 + Te Te62 1.0 0.18750 0.83416 0.50000 1.0000 + Te Te63 1.0 0.18750 0.89666 0.50000 1.0000 + Te Te64 1.0 0.18750 0.95916 0.50000 1.0000 + Te Te65 1.0 0.25000 0.02166 0.50000 1.0000 + Te Te66 1.0 0.25000 0.08416 0.50000 1.0000 + Te Te67 1.0 0.25000 0.14666 0.50000 1.0000 + Te Te68 1.0 0.25000 0.20916 0.50000 1.0000 + Te Te69 1.0 0.25000 0.27166 0.50000 1.0000 + Te Te70 1.0 0.25000 0.33416 0.50000 1.0000 + Te Te71 1.0 0.25000 0.39666 0.50000 1.0000 + Te Te72 1.0 0.25000 0.45916 0.50000 1.0000 + Te Te73 1.0 0.25000 0.52166 0.50000 1.0000 + Te Te74 1.0 0.25000 0.58416 0.50000 1.0000 + Te Te75 1.0 0.25000 0.64666 0.50000 1.0000 + Te Te76 1.0 0.25000 0.70916 0.50000 1.0000 + Te Te77 1.0 0.25000 0.77166 0.50000 1.0000 + Te Te78 1.0 0.25000 0.83416 0.50000 1.0000 + Te Te79 1.0 0.25000 0.89666 0.50000 1.0000 + Te Te80 1.0 0.25000 0.95916 0.50000 1.0000 + Te Te81 1.0 0.31250 0.02166 0.50000 1.0000 + Te Te82 1.0 0.31250 0.08416 0.50000 1.0000 + Te Te83 1.0 0.31250 0.14666 0.50000 1.0000 + Te Te84 1.0 0.31250 0.20916 0.50000 1.0000 + Te Te85 1.0 0.31250 0.27166 0.50000 1.0000 + Te Te86 1.0 0.31250 0.33416 0.50000 1.0000 + Te Te87 1.0 0.31250 0.39666 0.50000 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0.53472 0.02083 0.50000 1.0000 + Co Co368 1.0 0.57639 0.06250 0.50000 1.0000 + Co Co369 1.0 0.61806 0.10417 0.50000 1.0000 + Co Co370 1.0 0.65972 0.14583 0.50000 1.0000 + Co Co371 1.0 0.70139 0.18750 0.50000 1.0000 + Co Co372 1.0 0.74306 0.22917 0.50000 1.0000 + Co Co373 1.0 0.32639 0.72917 0.50000 1.0000 + Co Co374 1.0 0.36806 0.77083 0.50000 1.0000 + Co Co375 1.0 0.40972 0.81250 0.50000 1.0000 + Co Co376 1.0 0.45139 0.85417 0.50000 1.0000 + Co Co377 1.0 0.49306 0.89583 0.50000 1.0000 + Co Co378 1.0 0.53472 0.93750 0.50000 1.0000 + Co Co379 1.0 0.57639 0.97917 0.50000 1.0000 + Co Co380 1.0 0.61806 0.02083 0.50000 1.0000 + Co Co381 1.0 0.65972 0.06250 0.50000 1.0000 + Co Co382 1.0 0.70139 0.10417 0.50000 1.0000 + Co Co383 1.0 0.74306 0.14583 0.50000 1.0000 + Co Co384 1.0 0.78472 0.18750 0.50000 1.0000 + Co Co385 1.0 0.36806 0.68750 0.50000 1.0000 + Co Co386 1.0 0.40972 0.72917 0.50000 1.0000 + Co Co387 1.0 0.45139 0.77083 0.50000 1.0000 + Co Co388 1.0 0.49306 0.81250 0.50000 1.0000 + Co Co389 1.0 0.53472 0.85417 0.50000 1.0000 + Co Co390 1.0 0.57639 0.89583 0.50000 1.0000 + Co Co391 1.0 0.61806 0.93750 0.50000 1.0000 + Co Co392 1.0 0.65972 0.97917 0.50000 1.0000 + Co Co393 1.0 0.70139 0.02083 0.50000 1.0000 + Co Co394 1.0 0.74306 0.06250 0.50000 1.0000 + Co Co395 1.0 0.78472 0.10417 0.50000 1.0000 + Co Co396 1.0 0.82639 0.14583 0.50000 1.0000 + Co Co397 1.0 0.40972 0.64583 0.50000 1.0000 + Co Co398 1.0 0.45139 0.68750 0.50000 1.0000 + Co Co399 1.0 0.49306 0.72917 0.50000 1.0000 + Co Co400 1.0 0.53472 0.77083 0.50000 1.0000 + Co Co401 1.0 0.57639 0.81250 0.50000 1.0000 + Co Co402 1.0 0.61806 0.85417 0.50000 1.0000 + Co Co403 1.0 0.65972 0.89583 0.50000 1.0000 + Co Co404 1.0 0.70139 0.93750 0.50000 1.0000 + Co Co405 1.0 0.74306 0.97917 0.50000 1.0000 + Co Co406 1.0 0.78472 0.02083 0.50000 1.0000 + Co Co407 1.0 0.82639 0.06250 0.50000 1.0000 + Co Co408 1.0 0.86806 0.10417 0.50000 1.0000 + Co Co409 1.0 0.45139 0.60417 0.50000 1.0000 + Co Co410 1.0 0.49306 0.64583 0.50000 1.0000 + Co Co411 1.0 0.53472 0.68750 0.50000 1.0000 + Co Co412 1.0 0.57639 0.72917 0.50000 1.0000 + Co Co413 1.0 0.61806 0.77083 0.50000 1.0000 + Co Co414 1.0 0.65972 0.81250 0.50000 1.0000 + Co Co415 1.0 0.70139 0.85417 0.50000 1.0000 + Co Co416 1.0 0.74306 0.89583 0.50000 1.0000 + Co Co417 1.0 0.78472 0.93750 0.50000 1.0000 + Co Co418 1.0 0.82639 0.97917 0.50000 1.0000 + Co Co419 1.0 0.86806 0.02083 0.50000 1.0000 + Co Co420 1.0 0.90972 0.06250 0.50000 1.0000 + Co Co421 1.0 0.49306 0.56250 0.50000 1.0000 + Co Co422 1.0 0.53472 0.60417 0.50000 1.0000 + Co Co423 1.0 0.57639 0.64583 0.50000 1.0000 + Co Co424 1.0 0.61806 0.68750 0.50000 1.0000 + Co Co425 1.0 0.65972 0.72917 0.50000 1.0000 + Co Co426 1.0 0.70139 0.77083 0.50000 1.0000 + Co Co427 1.0 0.74306 0.81250 0.50000 1.0000 + Co Co428 1.0 0.78472 0.85417 0.50000 1.0000 + Co Co429 1.0 0.82639 0.89583 0.50000 1.0000 + Co Co430 1.0 0.86806 0.93750 0.50000 1.0000 + Co Co431 1.0 0.90972 0.97917 0.50000 1.0000 + Co Co432 1.0 0.95139 0.02083 0.50000 1.0000 + Te Te1 1.0 0.05556 0.00000 0.50000 1.0000 + Te Te2 1.0 0.09722 0.04167 0.50000 1.0000 + Te Te3 1.0 0.13889 0.08333 0.50000 1.0000 + Te Te4 1.0 0.18056 0.12500 0.50000 1.0000 + Te Te5 1.0 0.22222 0.16667 0.50000 1.0000 + Te Te6 1.0 0.26389 0.20833 0.50000 1.0000 + Te Te7 1.0 0.30556 0.25000 0.50000 1.0000 + Te Te8 1.0 0.34722 0.29167 0.50000 1.0000 + Te Te9 1.0 0.38889 0.33333 0.50000 1.0000 + Te Te10 1.0 0.43056 0.37500 0.50000 1.0000 + Te Te11 1.0 0.47222 0.41667 0.50000 1.0000 + Te Te12 1.0 0.51389 0.45833 0.50000 1.0000 + Te Te13 1.0 0.09722 0.95833 0.50000 1.0000 + Te Te14 1.0 0.13889 0.00000 0.50000 1.0000 + Te Te15 1.0 0.18056 0.04167 0.50000 1.0000 + Te Te16 1.0 0.22222 0.08333 0.50000 1.0000 + Te Te17 1.0 0.26389 0.12500 0.50000 1.0000 + Te Te18 1.0 0.30556 0.16667 0.50000 1.0000 + Te Te19 1.0 0.34722 0.20833 0.50000 1.0000 + Te Te20 1.0 0.38889 0.25000 0.50000 1.0000 + Te Te21 1.0 0.43056 0.29167 0.50000 1.0000 + Te Te22 1.0 0.47222 0.33333 0.50000 1.0000 + Te Te23 1.0 0.51389 0.37500 0.50000 1.0000 + Te Te24 1.0 0.55556 0.41667 0.50000 1.0000 + Te Te25 1.0 0.13889 0.91667 0.50000 1.0000 + Te Te26 1.0 0.18056 0.95833 0.50000 1.0000 + Te Te27 1.0 0.22222 0.00000 0.50000 1.0000 + Te Te28 1.0 0.26389 0.04167 0.50000 1.0000 + Te Te29 1.0 0.30556 0.08333 0.50000 1.0000 + Te Te30 1.0 0.34722 0.12500 0.50000 1.0000 + Te Te31 1.0 0.38889 0.16667 0.50000 1.0000 + Te Te32 1.0 0.43056 0.20833 0.50000 1.0000 + Te Te33 1.0 0.47222 0.25000 0.50000 1.0000 + Te Te34 1.0 0.51389 0.29167 0.50000 1.0000 + Te Te35 1.0 0.55556 0.33333 0.50000 1.0000 + Te Te36 1.0 0.59722 0.37500 0.50000 1.0000 + Te Te37 1.0 0.18056 0.87500 0.50000 1.0000 + Te Te38 1.0 0.22222 0.91667 0.50000 1.0000 + Te Te39 1.0 0.26389 0.95833 0.50000 1.0000 + Te Te40 1.0 0.30556 0.00000 0.50000 1.0000 + Te Te41 1.0 0.34722 0.04167 0.50000 1.0000 + Te Te42 1.0 0.38889 0.08333 0.50000 1.0000 + Te Te43 1.0 0.43056 0.12500 0.50000 1.0000 + Te Te44 1.0 0.47222 0.16667 0.50000 1.0000 + Te Te45 1.0 0.51389 0.20833 0.50000 1.0000 + Te Te46 1.0 0.55556 0.25000 0.50000 1.0000 + Te Te47 1.0 0.59722 0.29167 0.50000 1.0000 + Te Te48 1.0 0.63889 0.33333 0.50000 1.0000 + Te Te49 1.0 0.22222 0.83333 0.50000 1.0000 + Te Te50 1.0 0.26389 0.87500 0.50000 1.0000 + Te Te51 1.0 0.30556 0.91667 0.50000 1.0000 + Te Te52 1.0 0.34722 0.95833 0.50000 1.0000 + Te Te53 1.0 0.38889 1.00000 0.50000 1.0000 + Te Te54 1.0 0.43056 0.04167 0.50000 1.0000 + Te Te55 1.0 0.47222 0.08333 0.50000 1.0000 + Te Te56 1.0 0.51389 0.12500 0.50000 1.0000 + Te Te57 1.0 0.55556 0.16667 0.50000 1.0000 + Te Te58 1.0 0.59722 0.20833 0.50000 1.0000 + Te Te59 1.0 0.63889 0.25000 0.50000 1.0000 + Te Te60 1.0 0.68056 0.29167 0.50000 1.0000 + Te Te61 1.0 0.26389 0.79167 0.50000 1.0000 + Te Te62 1.0 0.30556 0.83333 0.50000 1.0000 + Te Te63 1.0 0.34722 0.87500 0.50000 1.0000 + Te Te64 1.0 0.38889 0.91667 0.50000 1.0000 + Te Te65 1.0 0.43056 0.95833 0.50000 1.0000 + Te Te66 1.0 0.47222 1.00000 0.50000 1.0000 + Te Te67 1.0 0.51389 0.04167 0.50000 1.0000 + Te Te68 1.0 0.55556 0.08333 0.50000 1.0000 + Te Te69 1.0 0.59722 0.12500 0.50000 1.0000 + Te Te70 1.0 0.63889 0.16667 0.50000 1.0000 + Te Te71 1.0 0.68056 0.20833 0.50000 1.0000 + Te Te72 1.0 0.72222 0.25000 0.50000 1.0000 + Te Te73 1.0 0.30556 0.75000 0.50000 1.0000 + Te Te74 1.0 0.34722 0.79167 0.50000 1.0000 + Te Te75 1.0 0.38889 0.83333 0.50000 1.0000 + Te Te76 1.0 0.43056 0.87500 0.50000 1.0000 + Te Te77 1.0 0.47222 0.91667 0.50000 1.0000 + Te Te78 1.0 0.51389 0.95833 0.50000 1.0000 + Te Te79 1.0 0.55556 0.00000 0.50000 1.0000 + Te Te80 1.0 0.59722 0.04167 0.50000 1.0000 + Te Te81 1.0 0.63889 0.08333 0.50000 1.0000 + Te Te82 1.0 0.68056 0.12500 0.50000 1.0000 + Te Te83 1.0 0.72222 0.16667 0.50000 1.0000 + Te Te84 1.0 0.76389 0.20833 0.50000 1.0000 + Te Te85 1.0 0.34722 0.70833 0.50000 1.0000 + Te Te86 1.0 0.38889 0.75000 0.50000 1.0000 + Te Te87 1.0 0.43056 0.79167 0.50000 1.0000 + Te Te88 1.0 0.47222 0.83333 0.50000 1.0000 + Te Te89 1.0 0.51389 0.87500 0.50000 1.0000 + Te Te90 1.0 0.55556 0.91667 0.50000 1.0000 + Te Te91 1.0 0.59722 0.95833 0.50000 1.0000 + Te Te92 1.0 0.63889 1.00000 0.50000 1.0000 + Te Te93 1.0 0.68056 0.04167 0.50000 1.0000 + Te Te94 1.0 0.72222 0.08333 0.50000 1.0000 + Te Te95 1.0 0.76389 0.12500 0.50000 1.0000 + Te Te96 1.0 0.80556 0.16667 0.50000 1.0000 + Te Te97 1.0 0.38889 0.66667 0.50000 1.0000 + Te Te98 1.0 0.43056 0.70833 0.50000 1.0000 + Te Te99 1.0 0.47222 0.75000 0.50000 1.0000 + Te Te100 1.0 0.51389 0.79167 0.50000 1.0000 + Te Te101 1.0 0.55556 0.83333 0.50000 1.0000 + Te Te102 1.0 0.59722 0.87500 0.50000 1.0000 + Te Te103 1.0 0.63889 0.91667 0.50000 1.0000 + Te Te104 1.0 0.68056 0.95833 0.50000 1.0000 + Te Te105 1.0 0.72222 1.00000 0.50000 1.0000 + Te Te106 1.0 0.76389 0.04167 0.50000 1.0000 + Te Te107 1.0 0.80556 0.08333 0.50000 1.0000 + Te Te108 1.0 0.84722 0.12500 0.50000 1.0000 + Te Te109 1.0 0.43056 0.62500 0.50000 1.0000 + Te Te110 1.0 0.47222 0.66667 0.50000 1.0000 + Te Te111 1.0 0.51389 0.70833 0.50000 1.0000 + Te Te112 1.0 0.55556 0.75000 0.50000 1.0000 + Te Te113 1.0 0.59722 0.79167 0.50000 1.0000 + Te Te114 1.0 0.63889 0.83333 0.50000 1.0000 + Te Te115 1.0 0.68056 0.87500 0.50000 1.0000 + Te Te116 1.0 0.72222 0.91667 0.50000 1.0000 + Te Te117 1.0 0.76389 0.95833 0.50000 1.0000 + Te Te118 1.0 0.80556 0.00000 0.50000 1.0000 + Te Te119 1.0 0.84722 0.04167 0.50000 1.0000 + Te Te120 1.0 0.88889 0.08333 0.50000 1.0000 + Te Te121 1.0 0.47222 0.58333 0.50000 1.0000 + Te Te122 1.0 0.51389 0.62500 0.50000 1.0000 + Te Te123 1.0 0.55556 0.66667 0.50000 1.0000 + Te Te124 1.0 0.59722 0.70833 0.50000 1.0000 + Te Te125 1.0 0.63889 0.75000 0.50000 1.0000 + Te Te126 1.0 0.68056 0.79167 0.50000 1.0000 + Te Te127 1.0 0.72222 0.83333 0.50000 1.0000 + Te Te128 1.0 0.76389 0.87500 0.50000 1.0000 + Te Te129 1.0 0.80556 0.91667 0.50000 1.0000 + Te Te130 1.0 0.84722 0.95833 0.50000 1.0000 + Te Te131 1.0 0.88889 0.00000 0.50000 1.0000 + Te Te132 1.0 0.93056 0.04167 0.50000 1.0000 + Te Te133 1.0 0.51389 0.54167 0.50000 1.0000 + Te Te134 1.0 0.55556 0.58333 0.50000 1.0000 + Te Te135 1.0 0.59722 0.62500 0.50000 1.0000 + Te Te136 1.0 0.63889 0.66667 0.50000 1.0000 + Te Te137 1.0 0.68056 0.70833 0.50000 1.0000 + Te Te138 1.0 0.72222 0.75000 0.50000 1.0000 + Te Te139 1.0 0.76389 0.79167 0.50000 1.0000 + Te Te140 1.0 0.80556 0.83333 0.50000 1.0000 + Te Te141 1.0 0.84722 0.87500 0.50000 1.0000 + Te Te142 1.0 0.88889 0.91667 0.50000 1.0000 + Te Te143 1.0 0.93056 0.95833 0.50000 1.0000 + Te Te144 1.0 0.97222 1.00000 0.50000 1.0000 + O O1 1.0 0.04883 0.97982 0.33101 1.0000 + O O2 1.0 0.09050 0.02149 0.33101 1.0000 + O O3 1.0 0.13216 0.06316 0.33101 1.0000 + O O4 1.0 0.17383 0.10482 0.33101 1.0000 + O O5 1.0 0.21550 0.14649 0.33101 1.0000 + O O6 1.0 0.25716 0.18816 0.33101 1.0000 + O O7 1.0 0.29883 0.22982 0.33101 1.0000 + O O8 1.0 0.34050 0.27149 0.33101 1.0000 + O O9 1.0 0.38216 0.31316 0.33101 1.0000 + O O10 1.0 0.42383 0.35482 0.33101 1.0000 + O O11 1.0 0.46550 0.39649 0.33101 1.0000 + O O12 1.0 0.50716 0.43816 0.33101 1.0000 + O O13 1.0 0.09050 0.93816 0.33101 1.0000 + O O14 1.0 0.13216 0.97982 0.33101 1.0000 + O O15 1.0 0.17383 0.02149 0.33101 1.0000 + O O16 1.0 0.21550 0.06316 0.33101 1.0000 + O O17 1.0 0.25716 0.10482 0.33101 1.0000 + O O18 1.0 0.29883 0.14649 0.33101 1.0000 + O O19 1.0 0.34050 0.18816 0.33101 1.0000 + O O20 1.0 0.38216 0.22982 0.33101 1.0000 + O O21 1.0 0.42383 0.27149 0.33101 1.0000 + O O22 1.0 0.46550 0.31316 0.33101 1.0000 + O O23 1.0 0.50716 0.35482 0.33101 1.0000 + O O24 1.0 0.54883 0.39649 0.33101 1.0000 + O O25 1.0 0.13216 0.89649 0.33101 1.0000 + O O26 1.0 0.17383 0.93816 0.33101 1.0000 + O O27 1.0 0.21550 0.97982 0.33101 1.0000 + O O28 1.0 0.25716 0.02149 0.33101 1.0000 + O O29 1.0 0.29883 0.06316 0.33101 1.0000 + O O30 1.0 0.34050 0.10482 0.33101 1.0000 + O O31 1.0 0.38216 0.14649 0.33101 1.0000 + O O32 1.0 0.42383 0.18816 0.33101 1.0000 + O O33 1.0 0.46550 0.22982 0.33101 1.0000 + O O34 1.0 0.50716 0.27149 0.33101 1.0000 + O O35 1.0 0.54883 0.31316 0.33101 1.0000 + O O36 1.0 0.59050 0.35482 0.33101 1.0000 + O O37 1.0 0.17383 0.85482 0.33101 1.0000 + O O38 1.0 0.21550 0.89649 0.33101 1.0000 + O O39 1.0 0.25716 0.93816 0.33101 1.0000 + O O40 1.0 0.29883 0.97982 0.33101 1.0000 + O O41 1.0 0.34050 0.02149 0.33101 1.0000 + O O42 1.0 0.38216 0.06316 0.33101 1.0000 + O O43 1.0 0.42383 0.10482 0.33101 1.0000 + O O44 1.0 0.46550 0.14649 0.33101 1.0000 + O O45 1.0 0.50716 0.18816 0.33101 1.0000 + O O46 1.0 0.54883 0.22982 0.33101 1.0000 + O O47 1.0 0.59050 0.27149 0.33101 1.0000 + O O48 1.0 0.63216 0.31316 0.33101 1.0000 + O O49 1.0 0.21550 0.81316 0.33101 1.0000 + O O50 1.0 0.25716 0.85482 0.33101 1.0000 + O O51 1.0 0.29883 0.89649 0.33101 1.0000 + O O52 1.0 0.34050 0.93816 0.33101 1.0000 + O O53 1.0 0.38216 0.97982 0.33101 1.0000 + O O54 1.0 0.42383 0.02149 0.33101 1.0000 + O O55 1.0 0.46550 0.06316 0.33101 1.0000 + O O56 1.0 0.50716 0.10482 0.33101 1.0000 + O O57 1.0 0.54883 0.14649 0.33101 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0.50000 1.0000 + Co Co641 1.0 0.88889 0.45833 0.50000 1.0000 + Co Co642 1.0 0.93056 0.50000 0.50000 1.0000 + Co Co643 1.0 0.97222 0.54167 0.50000 1.0000 + Co Co644 1.0 0.01389 0.58333 0.50000 1.0000 + Co Co645 1.0 0.05556 0.62500 0.50000 1.0000 + Co Co646 1.0 0.09722 0.66667 0.50000 1.0000 + Co Co647 1.0 0.13889 0.70833 0.50000 1.0000 + Co Co648 1.0 0.18056 0.75000 0.50000 1.0000 + Co Co649 1.0 0.76389 0.25000 0.50000 1.0000 + Co Co650 1.0 0.80556 0.29167 0.50000 1.0000 + Co Co651 1.0 0.84722 0.33333 0.50000 1.0000 + Co Co652 1.0 0.88889 0.37500 0.50000 1.0000 + Co Co653 1.0 0.93056 0.41667 0.50000 1.0000 + Co Co654 1.0 0.97222 0.45833 0.50000 1.0000 + Co Co655 1.0 0.01389 0.50000 0.50000 1.0000 + Co Co656 1.0 0.05556 0.54167 0.50000 1.0000 + Co Co657 1.0 0.09722 0.58333 0.50000 1.0000 + Co Co658 1.0 0.13889 0.62500 0.50000 1.0000 + Co Co659 1.0 0.18056 0.66667 0.50000 1.0000 + Co Co660 1.0 0.22222 0.70833 0.50000 1.0000 + Co Co661 1.0 0.80556 0.20833 0.50000 1.0000 + Co Co662 1.0 0.84722 0.25000 0.50000 1.0000 + Co Co663 1.0 0.88889 0.29167 0.50000 1.0000 + Co Co664 1.0 0.93056 0.33333 0.50000 1.0000 + Co Co665 1.0 0.97222 0.37500 0.50000 1.0000 + Co Co666 1.0 0.01389 0.41667 0.50000 1.0000 + Co Co667 1.0 0.05556 0.45833 0.50000 1.0000 + Co Co668 1.0 0.09722 0.50000 0.50000 1.0000 + Co Co669 1.0 0.13889 0.54167 0.50000 1.0000 + Co Co670 1.0 0.18056 0.58333 0.50000 1.0000 + Co Co671 1.0 0.22222 0.62500 0.50000 1.0000 + Co Co672 1.0 0.26389 0.66667 0.50000 1.0000 + Co Co673 1.0 0.84722 0.16667 0.50000 1.0000 + Co Co674 1.0 0.88889 0.20833 0.50000 1.0000 + Co Co675 1.0 0.93056 0.25000 0.50000 1.0000 + Co Co676 1.0 0.97222 0.29167 0.50000 1.0000 + Co Co677 1.0 0.01389 0.33333 0.50000 1.0000 + Co Co678 1.0 0.05556 0.37500 0.50000 1.0000 + Co Co679 1.0 0.09722 0.41667 0.50000 1.0000 + Co Co680 1.0 0.13889 0.45833 0.50000 1.0000 + Co Co681 1.0 0.18056 0.50000 0.50000 1.0000 + Co Co682 1.0 0.22222 0.54167 0.50000 1.0000 + Co Co683 1.0 0.26389 0.58333 0.50000 1.0000 + Co Co684 1.0 0.30556 0.62500 0.50000 1.0000 + Co Co685 1.0 0.88889 0.12500 0.50000 1.0000 + Co Co686 1.0 0.93056 0.16667 0.50000 1.0000 + Co Co687 1.0 0.97222 0.20833 0.50000 1.0000 + Co Co688 1.0 0.01389 0.25000 0.50000 1.0000 + Co Co689 1.0 0.05556 0.29167 0.50000 1.0000 + Co Co690 1.0 0.09722 0.33333 0.50000 1.0000 + Co Co691 1.0 0.13889 0.37500 0.50000 1.0000 + Co Co692 1.0 0.18056 0.41667 0.50000 1.0000 + Co Co693 1.0 0.22222 0.45833 0.50000 1.0000 + Co Co694 1.0 0.26389 0.50000 0.50000 1.0000 + Co Co695 1.0 0.30556 0.54167 0.50000 1.0000 + Co Co696 1.0 0.34722 0.58333 0.50000 1.0000 + Co Co697 1.0 0.93056 0.08333 0.50000 1.0000 + Co Co698 1.0 0.97222 0.12500 0.50000 1.0000 + Co Co699 1.0 0.01389 0.16667 0.50000 1.0000 + Co Co700 1.0 0.05556 0.20833 0.50000 1.0000 + Co Co701 1.0 0.09722 0.25000 0.50000 1.0000 + Co Co702 1.0 0.13889 0.29167 0.50000 1.0000 + Co Co703 1.0 0.18056 0.33333 0.50000 1.0000 + Co Co704 1.0 0.22222 0.37500 0.50000 1.0000 + Co Co705 1.0 0.26389 0.41667 0.50000 1.0000 + Co Co706 1.0 0.30556 0.45833 0.50000 1.0000 + Co Co707 1.0 0.34722 0.50000 0.50000 1.0000 + Co Co708 1.0 0.38889 0.54167 0.50000 1.0000 + Co Co709 1.0 0.97222 0.04167 0.50000 1.0000 + Co Co710 1.0 0.01389 0.08333 0.50000 1.0000 + Co Co711 1.0 0.05556 0.12500 0.50000 1.0000 + Co Co712 1.0 0.09722 0.16667 0.50000 1.0000 + Co Co713 1.0 0.13889 0.20833 0.50000 1.0000 + Co Co714 1.0 0.18056 0.25000 0.50000 1.0000 + Co Co715 1.0 0.22222 0.29167 0.50000 1.0000 + Co Co716 1.0 0.26389 0.33333 0.50000 1.0000 + Co Co717 1.0 0.30556 0.37500 0.50000 1.0000 + Co Co718 1.0 0.34722 0.41667 0.50000 1.0000 + Co Co719 1.0 0.38889 0.45833 0.50000 1.0000 + Co Co720 1.0 0.43056 0.50000 0.50000 1.0000 + Co Co721 1.0 0.53472 0.52083 0.50000 1.0000 + Co Co722 1.0 0.57639 0.56250 0.50000 1.0000 + Co Co723 1.0 0.61806 0.60417 0.50000 1.0000 + Co Co724 1.0 0.65972 0.64583 0.50000 1.0000 + Co Co725 1.0 0.70139 0.68750 0.50000 1.0000 + Co Co726 1.0 0.74306 0.72917 0.50000 1.0000 + Co Co727 1.0 0.78472 0.77083 0.50000 1.0000 + Co Co728 1.0 0.82639 0.81250 0.50000 1.0000 + Co Co729 1.0 0.86806 0.85417 0.50000 1.0000 + Co Co730 1.0 0.90972 0.89583 0.50000 1.0000 + Co Co731 1.0 0.95139 0.93750 0.50000 1.0000 + Co Co732 1.0 0.99306 0.97917 0.50000 1.0000 + Co Co733 1.0 0.57639 0.47917 0.50000 1.0000 + Co Co734 1.0 0.61806 0.52083 0.50000 1.0000 + Co Co735 1.0 0.65972 0.56250 0.50000 1.0000 + Co Co736 1.0 0.70139 0.60417 0.50000 1.0000 + Co Co737 1.0 0.74306 0.64583 0.50000 1.0000 + Co Co738 1.0 0.78472 0.68750 0.50000 1.0000 + Co Co739 1.0 0.82639 0.72917 0.50000 1.0000 + Co Co740 1.0 0.86806 0.77083 0.50000 1.0000 + Co Co741 1.0 0.90972 0.81250 0.50000 1.0000 + Co Co742 1.0 0.95139 0.85417 0.50000 1.0000 + Co Co743 1.0 0.99306 0.89583 0.50000 1.0000 + Co Co744 1.0 0.03472 0.93750 0.50000 1.0000 + Co Co745 1.0 0.61806 0.43750 0.50000 1.0000 + Co Co746 1.0 0.65972 0.47917 0.50000 1.0000 + Co Co747 1.0 0.70139 0.52083 0.50000 1.0000 + Co Co748 1.0 0.74306 0.56250 0.50000 1.0000 + Co Co749 1.0 0.78472 0.60417 0.50000 1.0000 + Co Co750 1.0 0.82639 0.64583 0.50000 1.0000 + Co Co751 1.0 0.86806 0.68750 0.50000 1.0000 + Co Co752 1.0 0.90972 0.72917 0.50000 1.0000 + Co Co753 1.0 0.95139 0.77083 0.50000 1.0000 + Co Co754 1.0 0.99306 0.81250 0.50000 1.0000 + Co Co755 1.0 0.03472 0.85417 0.50000 1.0000 + Co Co756 1.0 0.07639 0.89583 0.50000 1.0000 + Co Co757 1.0 0.65972 0.39583 0.50000 1.0000 + Co Co758 1.0 0.70139 0.43750 0.50000 1.0000 + Co Co759 1.0 0.74306 0.47917 0.50000 1.0000 + Co Co760 1.0 0.78472 0.52083 0.50000 1.0000 + Co Co761 1.0 0.82639 0.56250 0.50000 1.0000 + Co Co762 1.0 0.86806 0.60417 0.50000 1.0000 + Co Co763 1.0 0.90972 0.64583 0.50000 1.0000 + Co Co764 1.0 0.95139 0.68750 0.50000 1.0000 + Co Co765 1.0 0.99306 0.72917 0.50000 1.0000 + Co Co766 1.0 0.03472 0.77083 0.50000 1.0000 + Co Co767 1.0 0.07639 0.81250 0.50000 1.0000 + Co Co768 1.0 0.11806 0.85417 0.50000 1.0000 + Co Co769 1.0 0.70139 0.35417 0.50000 1.0000 + Co Co770 1.0 0.74306 0.39583 0.50000 1.0000 + Co Co771 1.0 0.78472 0.43750 0.50000 1.0000 + Co Co772 1.0 0.82639 0.47917 0.50000 1.0000 + Co Co773 1.0 0.86806 0.52083 0.50000 1.0000 + Co Co774 1.0 0.90972 0.56250 0.50000 1.0000 + Co Co775 1.0 0.95139 0.60417 0.50000 1.0000 + Co Co776 1.0 0.99306 0.64583 0.50000 1.0000 + Co Co777 1.0 0.03472 0.68750 0.50000 1.0000 + Co Co778 1.0 0.07639 0.72917 0.50000 1.0000 + Co Co779 1.0 0.11806 0.77083 0.50000 1.0000 + Co Co780 1.0 0.15972 0.81250 0.50000 1.0000 + Co Co781 1.0 0.74306 0.31250 0.50000 1.0000 + Co Co782 1.0 0.78472 0.35417 0.50000 1.0000 + Co Co783 1.0 0.82639 0.39583 0.50000 1.0000 + Co Co784 1.0 0.86806 0.43750 0.50000 1.0000 + Co Co785 1.0 0.90972 0.47917 0.50000 1.0000 + Co Co786 1.0 0.95139 0.52083 0.50000 1.0000 + Co Co787 1.0 0.99306 0.56250 0.50000 1.0000 + Co Co788 1.0 0.03472 0.60417 0.50000 1.0000 + Co Co789 1.0 0.07639 0.64583 0.50000 1.0000 + Co Co790 1.0 0.11806 0.68750 0.50000 1.0000 + Co Co791 1.0 0.15972 0.72917 0.50000 1.0000 + Co Co792 1.0 0.20139 0.77083 0.50000 1.0000 + Co Co793 1.0 0.78472 0.27083 0.50000 1.0000 + Co Co794 1.0 0.82639 0.31250 0.50000 1.0000 + Co Co795 1.0 0.86806 0.35417 0.50000 1.0000 + Co Co796 1.0 0.90972 0.39583 0.50000 1.0000 + Co Co797 1.0 0.95139 0.43750 0.50000 1.0000 + Co Co798 1.0 0.99306 0.47917 0.50000 1.0000 + Co Co799 1.0 0.03472 0.52083 0.50000 1.0000 + Co Co800 1.0 0.07639 0.56250 0.50000 1.0000 + Co Co801 1.0 0.11806 0.60417 0.50000 1.0000 + Co Co802 1.0 0.15972 0.64583 0.50000 1.0000 + Co Co803 1.0 0.20139 0.68750 0.50000 1.0000 + Co Co804 1.0 0.24306 0.72917 0.50000 1.0000 + Co Co805 1.0 0.82639 0.22917 0.50000 1.0000 + Co Co806 1.0 0.86806 0.27083 0.50000 1.0000 + Co Co807 1.0 0.90972 0.31250 0.50000 1.0000 + Co Co808 1.0 0.95139 0.35417 0.50000 1.0000 + Co Co809 1.0 0.99306 0.39583 0.50000 1.0000 + Co Co810 1.0 0.03472 0.43750 0.50000 1.0000 + Co Co811 1.0 0.07639 0.47917 0.50000 1.0000 + Co Co812 1.0 0.11806 0.52083 0.50000 1.0000 + Co Co813 1.0 0.15972 0.56250 0.50000 1.0000 + Co Co814 1.0 0.20139 0.60417 0.50000 1.0000 + Co Co815 1.0 0.24306 0.64583 0.50000 1.0000 + Co Co816 1.0 0.28472 0.68750 0.50000 1.0000 + Co Co817 1.0 0.86806 0.18750 0.50000 1.0000 + Co Co818 1.0 0.90972 0.22917 0.50000 1.0000 + Co Co819 1.0 0.95139 0.27083 0.50000 1.0000 + Co Co820 1.0 0.99306 0.31250 0.50000 1.0000 + Co Co821 1.0 0.03472 0.35417 0.50000 1.0000 + Co Co822 1.0 0.07639 0.39583 0.50000 1.0000 + Co Co823 1.0 0.11806 0.43750 0.50000 1.0000 + Co Co824 1.0 0.15972 0.47917 0.50000 1.0000 + Co Co825 1.0 0.20139 0.52083 0.50000 1.0000 + Co Co826 1.0 0.24306 0.56250 0.50000 1.0000 + Co Co827 1.0 0.28472 0.60417 0.50000 1.0000 + Co Co828 1.0 0.32639 0.64583 0.50000 1.0000 + Co Co829 1.0 0.90972 0.14583 0.50000 1.0000 + Co Co830 1.0 0.95139 0.18750 0.50000 1.0000 + Co Co831 1.0 0.99306 0.22917 0.50000 1.0000 + Co Co832 1.0 0.03472 0.27083 0.50000 1.0000 + Co Co833 1.0 0.07639 0.31250 0.50000 1.0000 + Co Co834 1.0 0.11806 0.35417 0.50000 1.0000 + Co Co835 1.0 0.15972 0.39583 0.50000 1.0000 + Co Co836 1.0 0.20139 0.43750 0.50000 1.0000 + Co Co837 1.0 0.24306 0.47917 0.50000 1.0000 + Co Co838 1.0 0.28472 0.52083 0.50000 1.0000 + Co Co839 1.0 0.32639 0.56250 0.50000 1.0000 + Co Co840 1.0 0.36806 0.60417 0.50000 1.0000 + Co Co841 1.0 0.95139 0.10417 0.50000 1.0000 + Co Co842 1.0 0.99306 0.14583 0.50000 1.0000 + Co Co843 1.0 0.03472 0.18750 0.50000 1.0000 + Co Co844 1.0 0.07639 0.22917 0.50000 1.0000 + Co Co845 1.0 0.11806 0.27083 0.50000 1.0000 + Co Co846 1.0 0.15972 0.31250 0.50000 1.0000 + Co Co847 1.0 0.20139 0.35417 0.50000 1.0000 + Co Co848 1.0 0.24306 0.39583 0.50000 1.0000 + Co Co849 1.0 0.28472 0.43750 0.50000 1.0000 + Co Co850 1.0 0.32639 0.47917 0.50000 1.0000 + Co Co851 1.0 0.36806 0.52083 0.50000 1.0000 + Co Co852 1.0 0.40972 0.56250 0.50000 1.0000 + Co Co853 1.0 0.99306 0.06250 0.50000 1.0000 + Co Co854 1.0 0.03472 0.10417 0.50000 1.0000 + Co Co855 1.0 0.07639 0.14583 0.50000 1.0000 + Co Co856 1.0 0.11806 0.18750 0.50000 1.0000 + Co Co857 1.0 0.15972 0.22917 0.50000 1.0000 + Co Co858 1.0 0.20139 0.27083 0.50000 1.0000 + Co Co859 1.0 0.24306 0.31250 0.50000 1.0000 + Co Co860 1.0 0.28472 0.35417 0.50000 1.0000 + Co Co861 1.0 0.32639 0.39583 0.50000 1.0000 + Co Co862 1.0 0.36806 0.43750 0.50000 1.0000 + Co Co863 1.0 0.40972 0.47917 0.50000 1.0000 + Co Co864 1.0 0.45139 0.52083 0.50000 1.0000 + Te Te145 1.0 0.55556 0.50000 0.50000 1.0000 + Te Te146 1.0 0.59722 0.54167 0.50000 1.0000 + Te Te147 1.0 0.63889 0.58333 0.50000 1.0000 + Te Te148 1.0 0.68056 0.62500 0.50000 1.0000 + Te Te149 1.0 0.72222 0.66667 0.50000 1.0000 + Te Te150 1.0 0.76389 0.70833 0.50000 1.0000 + Te Te151 1.0 0.80556 0.75000 0.50000 1.0000 + Te Te152 1.0 0.84722 0.79167 0.50000 1.0000 + Te Te153 1.0 0.88889 0.83333 0.50000 1.0000 + Te Te154 1.0 0.93056 0.87500 0.50000 1.0000 + Te Te155 1.0 0.97222 0.91667 0.50000 1.0000 + Te Te156 1.0 0.01389 0.95833 0.50000 1.0000 + Te Te157 1.0 0.59722 0.45833 0.50000 1.0000 + Te Te158 1.0 0.63889 0.50000 0.50000 1.0000 + Te Te159 1.0 0.68056 0.54167 0.50000 1.0000 + Te Te160 1.0 0.72222 0.58333 0.50000 1.0000 + Te Te161 1.0 0.76389 0.62500 0.50000 1.0000 + Te Te162 1.0 0.80556 0.66667 0.50000 1.0000 + Te Te163 1.0 0.84722 0.70833 0.50000 1.0000 + Te Te164 1.0 0.88889 0.75000 0.50000 1.0000 + Te Te165 1.0 0.93056 0.79167 0.50000 1.0000 + Te Te166 1.0 0.97222 0.83333 0.50000 1.0000 + Te Te167 1.0 0.01389 0.87500 0.50000 1.0000 + Te Te168 1.0 0.05556 0.91667 0.50000 1.0000 + Te Te169 1.0 0.63889 0.41667 0.50000 1.0000 + Te Te170 1.0 0.68056 0.45833 0.50000 1.0000 + Te Te171 1.0 0.72222 0.50000 0.50000 1.0000 + Te Te172 1.0 0.76389 0.54167 0.50000 1.0000 + Te Te173 1.0 0.80556 0.58333 0.50000 1.0000 + Te Te174 1.0 0.84722 0.62500 0.50000 1.0000 + Te Te175 1.0 0.88889 0.66667 0.50000 1.0000 + Te Te176 1.0 0.93056 0.70833 0.50000 1.0000 + Te Te177 1.0 0.97222 0.75000 0.50000 1.0000 + Te Te178 1.0 0.01389 0.79167 0.50000 1.0000 + Te Te179 1.0 0.05556 0.83333 0.50000 1.0000 + Te Te180 1.0 0.09722 0.87500 0.50000 1.0000 + Te Te181 1.0 0.68056 0.37500 0.50000 1.0000 + Te Te182 1.0 0.72222 0.41667 0.50000 1.0000 + Te Te183 1.0 0.76389 0.45833 0.50000 1.0000 + Te Te184 1.0 0.80556 0.50000 0.50000 1.0000 + Te Te185 1.0 0.84722 0.54167 0.50000 1.0000 + Te Te186 1.0 0.88889 0.58333 0.50000 1.0000 + Te Te187 1.0 0.93056 0.62500 0.50000 1.0000 + Te Te188 1.0 0.97222 0.66667 0.50000 1.0000 + Te Te189 1.0 0.01389 0.70833 0.50000 1.0000 + Te Te190 1.0 0.05556 0.75000 0.50000 1.0000 + Te Te191 1.0 0.09722 0.79167 0.50000 1.0000 + Te Te192 1.0 0.13889 0.83333 0.50000 1.0000 + Te Te193 1.0 0.72222 0.33333 0.50000 1.0000 + Te Te194 1.0 0.76389 0.37500 0.50000 1.0000 + Te Te195 1.0 0.80556 0.41667 0.50000 1.0000 + Te Te196 1.0 0.84722 0.45833 0.50000 1.0000 + Te Te197 1.0 0.88889 0.50000 0.50000 1.0000 + Te Te198 1.0 0.93056 0.54167 0.50000 1.0000 + Te Te199 1.0 0.97222 0.58333 0.50000 1.0000 + Te Te200 1.0 0.01389 0.62500 0.50000 1.0000 + Te Te201 1.0 0.05556 0.66667 0.50000 1.0000 + Te Te202 1.0 0.09722 0.70833 0.50000 1.0000 + Te Te203 1.0 0.13889 0.75000 0.50000 1.0000 + Te Te204 1.0 0.18056 0.79167 0.50000 1.0000 + Te Te205 1.0 0.76389 0.29167 0.50000 1.0000 + Te Te206 1.0 0.80556 0.33333 0.50000 1.0000 + Te Te207 1.0 0.84722 0.37500 0.50000 1.0000 + Te Te208 1.0 0.88889 0.41667 0.50000 1.0000 + Te Te209 1.0 0.93056 0.45833 0.50000 1.0000 + Te Te210 1.0 0.97222 0.50000 0.50000 1.0000 + Te Te211 1.0 0.01389 0.54167 0.50000 1.0000 + Te Te212 1.0 0.05556 0.58333 0.50000 1.0000 + Te Te213 1.0 0.09722 0.62500 0.50000 1.0000 + Te Te214 1.0 0.13889 0.66667 0.50000 1.0000 + Te Te215 1.0 0.18056 0.70833 0.50000 1.0000 + Te Te216 1.0 0.22222 0.75000 0.50000 1.0000 + Te Te217 1.0 0.80556 0.25000 0.50000 1.0000 + Te Te218 1.0 0.84722 0.29167 0.50000 1.0000 + Te Te219 1.0 0.88889 0.33333 0.50000 1.0000 + Te Te220 1.0 0.93056 0.37500 0.50000 1.0000 + Te Te221 1.0 0.97222 0.41667 0.50000 1.0000 + Te Te222 1.0 0.01389 0.45833 0.50000 1.0000 + Te Te223 1.0 0.05556 0.50000 0.50000 1.0000 + 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O1153 1.0 0.54883 0.47982 0.33101 1.0000 + O O1154 1.0 0.59050 0.52149 0.33101 1.0000 + O O1155 1.0 0.63216 0.56316 0.33101 1.0000 + O O1156 1.0 0.67383 0.60482 0.33101 1.0000 + O O1157 1.0 0.71550 0.64649 0.33101 1.0000 + O O1158 1.0 0.75716 0.68816 0.33101 1.0000 + O O1159 1.0 0.79883 0.72982 0.33101 1.0000 + O O1160 1.0 0.84050 0.77149 0.33101 1.0000 + O O1161 1.0 0.88216 0.81316 0.33101 1.0000 + O O1162 1.0 0.92383 0.85482 0.33101 1.0000 + O O1163 1.0 0.96550 0.89649 0.33101 1.0000 + O O1164 1.0 0.00716 0.93816 0.33101 1.0000 + O O1165 1.0 0.59050 0.43816 0.33101 1.0000 + O O1166 1.0 0.63216 0.47982 0.33101 1.0000 + O O1167 1.0 0.67383 0.52149 0.33101 1.0000 + O O1168 1.0 0.71550 0.56316 0.33101 1.0000 + O O1169 1.0 0.75716 0.60482 0.33101 1.0000 + O O1170 1.0 0.79883 0.64649 0.33101 1.0000 + O O1171 1.0 0.84050 0.68816 0.33101 1.0000 + O O1172 1.0 0.88216 0.72982 0.33101 1.0000 + O O1173 1.0 0.92383 0.77149 0.33101 1.0000 + O O1174 1.0 0.96550 0.81316 0.33101 1.0000 + O O1175 1.0 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b/tier2/cif_file/orthogonal_2dm-489_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..226fcc501cb1b3f34cb3e106d696959ecfe452ba --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-489_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural C512Se512 +_chemical_formula_sum "C512 Se512" +_cell_length_a 48.9337 +_cell_length_b 71.9864 +_cell_length_c 5.81067 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + C C1 1.0 0.00000 0.00000 0.43590 1.0000 + C C2 1.0 0.00000 0.06250 0.43590 1.0000 + C C3 1.0 0.00000 0.12500 0.43590 1.0000 + C C4 1.0 0.00000 0.18750 0.43590 1.0000 + C C5 1.0 0.00000 0.25000 0.43590 1.0000 + C C6 1.0 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0.62500 0.90625 0.34419 1.0000 + Se Se432 1.0 0.62500 0.96875 0.34419 1.0000 + Se Se433 1.0 0.68750 0.03125 0.34419 1.0000 + Se Se434 1.0 0.68750 0.09375 0.34419 1.0000 + Se Se435 1.0 0.68750 0.15625 0.34419 1.0000 + Se Se436 1.0 0.68750 0.21875 0.34419 1.0000 + Se Se437 1.0 0.68750 0.28125 0.34419 1.0000 + Se Se438 1.0 0.68750 0.34375 0.34419 1.0000 + Se Se439 1.0 0.68750 0.40625 0.34419 1.0000 + Se Se440 1.0 0.68750 0.46875 0.34419 1.0000 + Se Se441 1.0 0.68750 0.53125 0.34419 1.0000 + Se Se442 1.0 0.68750 0.59375 0.34419 1.0000 + Se Se443 1.0 0.68750 0.65625 0.34419 1.0000 + Se Se444 1.0 0.68750 0.71875 0.34419 1.0000 + Se Se445 1.0 0.68750 0.78125 0.34419 1.0000 + Se Se446 1.0 0.68750 0.84375 0.34419 1.0000 + Se Se447 1.0 0.68750 0.90625 0.34419 1.0000 + Se Se448 1.0 0.68750 0.96875 0.34419 1.0000 + Se Se449 1.0 0.75000 0.03125 0.34419 1.0000 + Se Se450 1.0 0.75000 0.09375 0.34419 1.0000 + Se Se451 1.0 0.75000 0.15625 0.34419 1.0000 + Se Se452 1.0 0.75000 0.21875 0.34419 1.0000 + Se Se453 1.0 0.75000 0.28125 0.34419 1.0000 + Se Se454 1.0 0.75000 0.34375 0.34419 1.0000 + Se Se455 1.0 0.75000 0.40625 0.34419 1.0000 + Se Se456 1.0 0.75000 0.46875 0.34419 1.0000 + Se Se457 1.0 0.75000 0.53125 0.34419 1.0000 + Se Se458 1.0 0.75000 0.59375 0.34419 1.0000 + Se Se459 1.0 0.75000 0.65625 0.34419 1.0000 + Se Se460 1.0 0.75000 0.71875 0.34419 1.0000 + Se Se461 1.0 0.75000 0.78125 0.34419 1.0000 + Se Se462 1.0 0.75000 0.84375 0.34419 1.0000 + Se Se463 1.0 0.75000 0.90625 0.34419 1.0000 + Se Se464 1.0 0.75000 0.96875 0.34419 1.0000 + Se Se465 1.0 0.81250 0.03125 0.34419 1.0000 + Se Se466 1.0 0.81250 0.09375 0.34419 1.0000 + Se Se467 1.0 0.81250 0.15625 0.34419 1.0000 + Se Se468 1.0 0.81250 0.21875 0.34419 1.0000 + Se Se469 1.0 0.81250 0.28125 0.34419 1.0000 + Se Se470 1.0 0.81250 0.34375 0.34419 1.0000 + Se Se471 1.0 0.81250 0.40625 0.34419 1.0000 + Se Se472 1.0 0.81250 0.46875 0.34419 1.0000 + Se Se473 1.0 0.81250 0.53125 0.34419 1.0000 + Se Se474 1.0 0.81250 0.59375 0.34419 1.0000 + Se Se475 1.0 0.81250 0.65625 0.34419 1.0000 + Se Se476 1.0 0.81250 0.71875 0.34419 1.0000 + Se Se477 1.0 0.81250 0.78125 0.34419 1.0000 + Se Se478 1.0 0.81250 0.84375 0.34419 1.0000 + Se Se479 1.0 0.81250 0.90625 0.34419 1.0000 + Se Se480 1.0 0.81250 0.96875 0.34419 1.0000 + Se Se481 1.0 0.87500 0.03125 0.34419 1.0000 + Se Se482 1.0 0.87500 0.09375 0.34419 1.0000 + Se Se483 1.0 0.87500 0.15625 0.34419 1.0000 + Se Se484 1.0 0.87500 0.21875 0.34419 1.0000 + Se Se485 1.0 0.87500 0.28125 0.34419 1.0000 + Se Se486 1.0 0.87500 0.34375 0.34419 1.0000 + Se Se487 1.0 0.87500 0.40625 0.34419 1.0000 + Se Se488 1.0 0.87500 0.46875 0.34419 1.0000 + Se Se489 1.0 0.87500 0.53125 0.34419 1.0000 + Se Se490 1.0 0.87500 0.59375 0.34419 1.0000 + Se Se491 1.0 0.87500 0.65625 0.34419 1.0000 + Se Se492 1.0 0.87500 0.71875 0.34419 1.0000 + Se Se493 1.0 0.87500 0.78125 0.34419 1.0000 + Se Se494 1.0 0.87500 0.84375 0.34419 1.0000 + Se Se495 1.0 0.87500 0.90625 0.34419 1.0000 + Se Se496 1.0 0.87500 0.96875 0.34419 1.0000 + Se Se497 1.0 0.93750 0.03125 0.34419 1.0000 + Se Se498 1.0 0.93750 0.09375 0.34419 1.0000 + Se Se499 1.0 0.93750 0.15625 0.34419 1.0000 + Se Se500 1.0 0.93750 0.21875 0.34419 1.0000 + Se Se501 1.0 0.93750 0.28125 0.34419 1.0000 + Se Se502 1.0 0.93750 0.34375 0.34419 1.0000 + Se Se503 1.0 0.93750 0.40625 0.34419 1.0000 + Se Se504 1.0 0.93750 0.46875 0.34419 1.0000 + Se Se505 1.0 0.93750 0.53125 0.34419 1.0000 + Se Se506 1.0 0.93750 0.59375 0.34419 1.0000 + Se Se507 1.0 0.93750 0.65625 0.34419 1.0000 + Se Se508 1.0 0.93750 0.71875 0.34419 1.0000 + Se Se509 1.0 0.93750 0.78125 0.34419 1.0000 + Se Se510 1.0 0.93750 0.84375 0.34419 1.0000 + Se Se511 1.0 0.93750 0.90625 0.34419 1.0000 + Se Se512 1.0 0.93750 0.96875 0.34419 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4906_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4906_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..108230a5d7fd5126bb7fafe24c40a32657d7f1e7 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4906_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural Sn256Ge256Sn256Ge256 +_chemical_formula_sum "Sn512 Ge512" +_cell_length_a 120.85 +_cell_length_b 69.7729 +_cell_length_c 4.79413 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Sn Sn1 1.0 0.00000 0.00000 0.58282 1.0000 + Sn Sn2 1.0 0.96875 0.03125 0.58282 1.0000 + Sn Sn3 1.0 0.93750 0.06250 0.58282 1.0000 + Sn Sn4 1.0 0.40625 0.59375 0.58282 1.0000 + Sn Sn5 1.0 0.87500 0.12500 0.58282 1.0000 + Sn Sn6 1.0 0.84375 0.15625 0.58282 1.0000 + Sn Sn7 1.0 0.31250 0.68750 0.58282 1.0000 + Sn Sn8 1.0 0.28125 0.71875 0.58282 1.0000 + Sn Sn9 1.0 0.75000 0.25000 0.58282 1.0000 + Sn Sn10 1.0 0.21875 0.78125 0.58282 1.0000 + Sn Sn11 1.0 0.68750 0.31250 0.58282 1.0000 + Sn Sn12 1.0 0.15625 0.84375 0.58282 1.0000 + Sn Sn13 1.0 0.12500 0.87500 0.58282 1.0000 + Sn Sn14 1.0 0.59375 0.40625 0.58282 1.0000 + Sn Sn15 1.0 0.06250 0.93750 0.58282 1.0000 + Sn Sn16 1.0 0.53125 0.46875 0.58282 1.0000 + Sn Sn17 1.0 0.03125 0.03125 0.58282 1.0000 + Sn Sn18 1.0 0.00000 0.06250 0.58282 1.0000 + Sn Sn19 1.0 0.96875 0.09375 0.58282 1.0000 + Sn Sn20 1.0 0.93750 0.12500 0.58282 1.0000 + Sn Sn21 1.0 0.90625 0.15625 0.58282 1.0000 + Sn Sn22 1.0 0.87500 0.18750 0.58282 1.0000 + Sn Sn23 1.0 0.84375 0.21875 0.58282 1.0000 + Sn Sn24 1.0 0.81250 0.25000 0.58282 1.0000 + Sn Sn25 1.0 0.78125 0.28125 0.58282 1.0000 + Sn Sn26 1.0 0.75000 0.31250 0.58282 1.0000 + Sn Sn27 1.0 0.71875 0.34375 0.58282 1.0000 + Sn Sn28 1.0 0.68750 0.37500 0.58282 1.0000 + Sn Sn29 1.0 0.65625 0.40625 0.58282 1.0000 + Sn Sn30 1.0 0.62500 0.43750 0.58282 1.0000 + Sn Sn31 1.0 0.59375 0.46875 0.58282 1.0000 + Sn Sn32 1.0 0.56250 0.50000 0.58282 1.0000 + Sn Sn33 1.0 0.06250 0.06250 0.58282 1.0000 + Sn Sn34 1.0 0.03125 0.09375 0.58282 1.0000 + Sn Sn35 1.0 0.00000 0.12500 0.58282 1.0000 + Sn Sn36 1.0 0.96875 0.15625 0.58282 1.0000 + Sn Sn37 1.0 0.93750 0.18750 0.58282 1.0000 + Sn Sn38 1.0 0.90625 0.21875 0.58282 1.0000 + Sn Sn39 1.0 0.87500 0.25000 0.58282 1.0000 + Sn Sn40 1.0 0.84375 0.28125 0.58282 1.0000 + Sn Sn41 1.0 0.81250 0.31250 0.58282 1.0000 + Sn Sn42 1.0 0.78125 0.34375 0.58282 1.0000 + Sn Sn43 1.0 0.75000 0.37500 0.58282 1.0000 + Sn Sn44 1.0 0.71875 0.40625 0.58282 1.0000 + Sn Sn45 1.0 0.68750 0.43750 0.58282 1.0000 + Sn Sn46 1.0 0.65625 0.46875 0.58282 1.0000 + Sn Sn47 1.0 0.62500 0.50000 0.58282 1.0000 + Sn Sn48 1.0 0.59375 0.53125 0.58282 1.0000 + Sn Sn49 1.0 0.09375 0.09375 0.58282 1.0000 + Sn Sn50 1.0 0.06250 0.12500 0.58282 1.0000 + Sn Sn51 1.0 0.03125 0.15625 0.58282 1.0000 + Sn Sn52 1.0 0.00000 0.18750 0.58282 1.0000 + Sn Sn53 1.0 0.96875 0.21875 0.58282 1.0000 + Sn Sn54 1.0 0.93750 0.25000 0.58282 1.0000 + Sn Sn55 1.0 0.90625 0.28125 0.58282 1.0000 + Sn Sn56 1.0 0.87500 0.31250 0.58282 1.0000 + Sn Sn57 1.0 0.84375 0.34375 0.58282 1.0000 + Sn Sn58 1.0 0.81250 0.37500 0.58282 1.0000 + Sn Sn59 1.0 0.78125 0.40625 0.58282 1.0000 + Sn Sn60 1.0 0.75000 0.43750 0.58282 1.0000 + Sn Sn61 1.0 0.71875 0.46875 0.58282 1.0000 + Sn Sn62 1.0 0.68750 0.50000 0.58282 1.0000 + Sn Sn63 1.0 0.65625 0.53125 0.58282 1.0000 + Sn Sn64 1.0 0.62500 0.56250 0.58282 1.0000 + Sn Sn65 1.0 0.12500 0.12500 0.58282 1.0000 + Sn Sn66 1.0 0.09375 0.15625 0.58282 1.0000 + Sn Sn67 1.0 0.06250 0.18750 0.58282 1.0000 + Sn Sn68 1.0 0.03125 0.21875 0.58282 1.0000 + Sn Sn69 1.0 0.00000 0.25000 0.58282 1.0000 + Sn Sn70 1.0 0.96875 0.28125 0.58282 1.0000 + Sn Sn71 1.0 0.93750 0.31250 0.58282 1.0000 + Sn Sn72 1.0 0.90625 0.34375 0.58282 1.0000 + Sn Sn73 1.0 0.87500 0.37500 0.58282 1.0000 + Sn Sn74 1.0 0.84375 0.40625 0.58282 1.0000 + Sn Sn75 1.0 0.81250 0.43750 0.58282 1.0000 + Sn Sn76 1.0 0.78125 0.46875 0.58282 1.0000 + Sn Sn77 1.0 0.75000 0.50000 0.58282 1.0000 + Sn Sn78 1.0 0.71875 0.53125 0.58282 1.0000 + Sn Sn79 1.0 0.68750 0.56250 0.58282 1.0000 + Sn Sn80 1.0 0.65625 0.59375 0.58282 1.0000 + Sn Sn81 1.0 0.15625 0.15625 0.58282 1.0000 + Sn Sn82 1.0 0.12500 0.18750 0.58282 1.0000 + Sn Sn83 1.0 0.09375 0.21875 0.58282 1.0000 + Sn Sn84 1.0 0.06250 0.25000 0.58282 1.0000 + Sn Sn85 1.0 0.03125 0.28125 0.58282 1.0000 + Sn Sn86 1.0 0.00000 0.31250 0.58282 1.0000 + Sn Sn87 1.0 0.96875 0.34375 0.58282 1.0000 + Sn Sn88 1.0 0.93750 0.37500 0.58282 1.0000 + Sn Sn89 1.0 0.90625 0.40625 0.58282 1.0000 + Sn Sn90 1.0 0.87500 0.43750 0.58282 1.0000 + Sn Sn91 1.0 0.84375 0.46875 0.58282 1.0000 + Sn Sn92 1.0 0.81250 0.50000 0.58282 1.0000 + Sn Sn93 1.0 0.78125 0.53125 0.58282 1.0000 + Sn Sn94 1.0 0.75000 0.56250 0.58282 1.0000 + Sn Sn95 1.0 0.71875 0.59375 0.58282 1.0000 + Sn Sn96 1.0 0.68750 0.62500 0.58282 1.0000 + Sn Sn97 1.0 0.18750 0.18750 0.58282 1.0000 + Sn Sn98 1.0 0.15625 0.21875 0.58282 1.0000 + Sn Sn99 1.0 0.12500 0.25000 0.58282 1.0000 + Sn Sn100 1.0 0.09375 0.28125 0.58282 1.0000 + Sn Sn101 1.0 0.06250 0.31250 0.58282 1.0000 + Sn Sn102 1.0 0.03125 0.34375 0.58282 1.0000 + Sn Sn103 1.0 0.00000 0.37500 0.58282 1.0000 + Sn Sn104 1.0 0.96875 0.40625 0.58282 1.0000 + Sn Sn105 1.0 0.93750 0.43750 0.58282 1.0000 + Sn Sn106 1.0 0.90625 0.46875 0.58282 1.0000 + Sn Sn107 1.0 0.87500 0.50000 0.58282 1.0000 + Sn Sn108 1.0 0.84375 0.53125 0.58282 1.0000 + Sn Sn109 1.0 0.81250 0.56250 0.58282 1.0000 + Sn Sn110 1.0 0.78125 0.59375 0.58282 1.0000 + Sn Sn111 1.0 0.75000 0.62500 0.58282 1.0000 + Sn Sn112 1.0 0.71875 0.65625 0.58282 1.0000 + Sn Sn113 1.0 0.21875 0.21875 0.58282 1.0000 + Sn Sn114 1.0 0.18750 0.25000 0.58282 1.0000 + Sn Sn115 1.0 0.15625 0.28125 0.58282 1.0000 + Sn Sn116 1.0 0.12500 0.31250 0.58282 1.0000 + Sn Sn117 1.0 0.09375 0.34375 0.58282 1.0000 + Sn Sn118 1.0 0.06250 0.37500 0.58282 1.0000 + Sn Sn119 1.0 0.03125 0.40625 0.58282 1.0000 + Sn Sn120 1.0 0.00000 0.43750 0.58282 1.0000 + Sn Sn121 1.0 0.96875 0.46875 0.58282 1.0000 + Sn Sn122 1.0 0.93750 0.50000 0.58282 1.0000 + Sn Sn123 1.0 0.90625 0.53125 0.58282 1.0000 + Sn Sn124 1.0 0.87500 0.56250 0.58282 1.0000 + Sn Sn125 1.0 0.84375 0.59375 0.58282 1.0000 + Sn Sn126 1.0 0.81250 0.62500 0.58282 1.0000 + Sn Sn127 1.0 0.78125 0.65625 0.58282 1.0000 + Sn Sn128 1.0 0.75000 0.68750 0.58282 1.0000 + Sn Sn129 1.0 0.25000 0.25000 0.58282 1.0000 + Sn Sn130 1.0 0.21875 0.28125 0.58282 1.0000 + Sn Sn131 1.0 0.18750 0.31250 0.58282 1.0000 + Sn Sn132 1.0 0.15625 0.34375 0.58282 1.0000 + Sn Sn133 1.0 0.12500 0.37500 0.58282 1.0000 + Sn Sn134 1.0 0.09375 0.40625 0.58282 1.0000 + Sn Sn135 1.0 0.06250 0.43750 0.58282 1.0000 + Sn Sn136 1.0 0.03125 0.46875 0.58282 1.0000 + Sn Sn137 1.0 0.00000 0.50000 0.58282 1.0000 + Sn Sn138 1.0 0.96875 0.53125 0.58282 1.0000 + Sn Sn139 1.0 0.93750 0.56250 0.58282 1.0000 + Sn Sn140 1.0 0.90625 0.59375 0.58282 1.0000 + Sn Sn141 1.0 0.87500 0.62500 0.58282 1.0000 + Sn Sn142 1.0 0.84375 0.65625 0.58282 1.0000 + Sn Sn143 1.0 0.81250 0.68750 0.58282 1.0000 + Sn Sn144 1.0 0.78125 0.71875 0.58282 1.0000 + Sn Sn145 1.0 0.28125 0.28125 0.58282 1.0000 + Sn Sn146 1.0 0.25000 0.31250 0.58282 1.0000 + Sn Sn147 1.0 0.21875 0.34375 0.58282 1.0000 + Sn Sn148 1.0 0.18750 0.37500 0.58282 1.0000 + Sn Sn149 1.0 0.15625 0.40625 0.58282 1.0000 + Sn Sn150 1.0 0.12500 0.43750 0.58282 1.0000 + Sn Sn151 1.0 0.09375 0.46875 0.58282 1.0000 + Sn Sn152 1.0 0.06250 0.50000 0.58282 1.0000 + Sn Sn153 1.0 0.03125 0.53125 0.58282 1.0000 + Sn Sn154 1.0 0.00000 0.56250 0.58282 1.0000 + Sn Sn155 1.0 0.96875 0.59375 0.58282 1.0000 + Sn Sn156 1.0 0.93750 0.62500 0.58282 1.0000 + Sn Sn157 1.0 0.90625 0.65625 0.58282 1.0000 + Sn Sn158 1.0 0.87500 0.68750 0.58282 1.0000 + Sn Sn159 1.0 0.84375 0.71875 0.58282 1.0000 + Sn Sn160 1.0 0.81250 0.75000 0.58282 1.0000 + Sn Sn161 1.0 0.31250 0.31250 0.58282 1.0000 + Sn Sn162 1.0 0.28125 0.34375 0.58282 1.0000 + Sn Sn163 1.0 0.25000 0.37500 0.58282 1.0000 + Sn Sn164 1.0 0.21875 0.40625 0.58282 1.0000 + Sn Sn165 1.0 0.18750 0.43750 0.58282 1.0000 + Sn Sn166 1.0 0.15625 0.46875 0.58282 1.0000 + Sn Sn167 1.0 0.12500 0.50000 0.58282 1.0000 + Sn Sn168 1.0 0.09375 0.53125 0.58282 1.0000 + Sn Sn169 1.0 0.06250 0.56250 0.58282 1.0000 + Sn Sn170 1.0 0.03125 0.59375 0.58282 1.0000 + Sn Sn171 1.0 0.00000 0.62500 0.58282 1.0000 + Sn Sn172 1.0 0.96875 0.65625 0.58282 1.0000 + Sn Sn173 1.0 0.93750 0.68750 0.58282 1.0000 + Sn Sn174 1.0 0.90625 0.71875 0.58282 1.0000 + Sn Sn175 1.0 0.87500 0.75000 0.58282 1.0000 + Sn Sn176 1.0 0.84375 0.78125 0.58282 1.0000 + Sn Sn177 1.0 0.34375 0.34375 0.58282 1.0000 + Sn Sn178 1.0 0.31250 0.37500 0.58282 1.0000 + Sn Sn179 1.0 0.28125 0.40625 0.58282 1.0000 + Sn Sn180 1.0 0.25000 0.43750 0.58282 1.0000 + Sn Sn181 1.0 0.21875 0.46875 0.58282 1.0000 + Sn Sn182 1.0 0.18750 0.50000 0.58282 1.0000 + Sn Sn183 1.0 0.15625 0.53125 0.58282 1.0000 + Sn Sn184 1.0 0.12500 0.56250 0.58282 1.0000 + Sn Sn185 1.0 0.09375 0.59375 0.58282 1.0000 + Sn Sn186 1.0 0.06250 0.62500 0.58282 1.0000 + Sn Sn187 1.0 0.03125 0.65625 0.58282 1.0000 + Sn Sn188 1.0 1.00000 0.68750 0.58282 1.0000 + Sn Sn189 1.0 0.96875 0.71875 0.58282 1.0000 + Sn Sn190 1.0 0.93750 0.75000 0.58282 1.0000 + Sn Sn191 1.0 0.90625 0.78125 0.58282 1.0000 + Sn Sn192 1.0 0.87500 0.81250 0.58282 1.0000 + Sn Sn193 1.0 0.37500 0.37500 0.58282 1.0000 + Sn Sn194 1.0 0.34375 0.40625 0.58282 1.0000 + Sn Sn195 1.0 0.31250 0.43750 0.58282 1.0000 + Sn Sn196 1.0 0.28125 0.46875 0.58282 1.0000 + Sn Sn197 1.0 0.25000 0.50000 0.58282 1.0000 + Sn Sn198 1.0 0.21875 0.53125 0.58282 1.0000 + Sn Sn199 1.0 0.18750 0.56250 0.58282 1.0000 + Sn Sn200 1.0 0.15625 0.59375 0.58282 1.0000 + Sn Sn201 1.0 0.12500 0.62500 0.58282 1.0000 + Sn Sn202 1.0 0.09375 0.65625 0.58282 1.0000 + Sn Sn203 1.0 0.06250 0.68750 0.58282 1.0000 + Sn Sn204 1.0 0.03125 0.71875 0.58282 1.0000 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0.58282 1.0000 + Sn Sn277 1.0 0.40625 0.65625 0.58282 1.0000 + Sn Sn278 1.0 0.37500 0.68750 0.58282 1.0000 + Sn Sn279 1.0 0.34375 0.71875 0.58282 1.0000 + Sn Sn280 1.0 0.31250 0.75000 0.58282 1.0000 + Sn Sn281 1.0 0.28125 0.78125 0.58282 1.0000 + Sn Sn282 1.0 0.25000 0.81250 0.58282 1.0000 + Sn Sn283 1.0 0.21875 0.84375 0.58282 1.0000 + Sn Sn284 1.0 0.18750 0.87500 0.58282 1.0000 + Sn Sn285 1.0 0.15625 0.90625 0.58282 1.0000 + Sn Sn286 1.0 0.12500 0.93750 0.58282 1.0000 + Sn Sn287 1.0 0.09375 0.96875 0.58282 1.0000 + Sn Sn288 1.0 0.06250 0.00000 0.58282 1.0000 + Sn Sn289 1.0 0.56250 0.56250 0.58282 1.0000 + Sn Sn290 1.0 0.53125 0.59375 0.58282 1.0000 + Sn Sn291 1.0 0.50000 0.62500 0.58282 1.0000 + Sn Sn292 1.0 0.46875 0.65625 0.58282 1.0000 + Sn Sn293 1.0 0.43750 0.68750 0.58282 1.0000 + Sn Sn294 1.0 0.40625 0.71875 0.58282 1.0000 + Sn Sn295 1.0 0.37500 0.75000 0.58282 1.0000 + Sn Sn296 1.0 0.34375 0.78125 0.58282 1.0000 + Sn Sn297 1.0 0.31250 0.81250 0.58282 1.0000 + Sn Sn298 1.0 0.28125 0.84375 0.58282 1.0000 + Sn Sn299 1.0 0.25000 0.87500 0.58282 1.0000 + Sn Sn300 1.0 0.21875 0.90625 0.58282 1.0000 + Sn Sn301 1.0 0.18750 0.93750 0.58282 1.0000 + Sn Sn302 1.0 0.15625 0.96875 0.58282 1.0000 + Sn Sn303 1.0 0.12500 1.00000 0.58282 1.0000 + Sn Sn304 1.0 0.09375 0.03125 0.58282 1.0000 + Sn Sn305 1.0 0.59375 0.59375 0.58282 1.0000 + Sn Sn306 1.0 0.56250 0.62500 0.58282 1.0000 + Sn Sn307 1.0 0.53125 0.65625 0.58282 1.0000 + Sn Sn308 1.0 0.50000 0.68750 0.58282 1.0000 + Sn Sn309 1.0 0.46875 0.71875 0.58282 1.0000 + Sn Sn310 1.0 0.43750 0.75000 0.58282 1.0000 + Sn Sn311 1.0 0.40625 0.78125 0.58282 1.0000 + Sn Sn312 1.0 0.37500 0.81250 0.58282 1.0000 + Sn Sn313 1.0 0.34375 0.84375 0.58282 1.0000 + Sn Sn314 1.0 0.31250 0.87500 0.58282 1.0000 + Sn Sn315 1.0 0.28125 0.90625 0.58282 1.0000 + Sn Sn316 1.0 0.25000 0.93750 0.58282 1.0000 + Sn Sn317 1.0 0.21875 0.96875 0.58282 1.0000 + Sn Sn318 1.0 0.18750 0.00000 0.58282 1.0000 + Sn Sn319 1.0 0.15625 0.03125 0.58282 1.0000 + Sn Sn320 1.0 0.12500 0.06250 0.58282 1.0000 + Sn Sn321 1.0 0.62500 0.62500 0.58282 1.0000 + Sn Sn322 1.0 0.59375 0.65625 0.58282 1.0000 + Sn Sn323 1.0 0.56250 0.68750 0.58282 1.0000 + Sn Sn324 1.0 0.53125 0.71875 0.58282 1.0000 + Sn Sn325 1.0 0.50000 0.75000 0.58282 1.0000 + Sn Sn326 1.0 0.46875 0.78125 0.58282 1.0000 + Sn Sn327 1.0 0.43750 0.81250 0.58282 1.0000 + Sn Sn328 1.0 0.40625 0.84375 0.58282 1.0000 + Sn Sn329 1.0 0.37500 0.87500 0.58282 1.0000 + Sn Sn330 1.0 0.34375 0.90625 0.58282 1.0000 + Sn Sn331 1.0 0.31250 0.93750 0.58282 1.0000 + Sn Sn332 1.0 0.28125 0.96875 0.58282 1.0000 + Sn Sn333 1.0 0.25000 0.00000 0.58282 1.0000 + Sn Sn334 1.0 0.21875 0.03125 0.58282 1.0000 + Sn Sn335 1.0 0.18750 0.06250 0.58282 1.0000 + Sn Sn336 1.0 0.15625 0.09375 0.58282 1.0000 + Sn Sn337 1.0 0.65625 0.65625 0.58282 1.0000 + Sn Sn338 1.0 0.62500 0.68750 0.58282 1.0000 + Sn Sn339 1.0 0.59375 0.71875 0.58282 1.0000 + Sn Sn340 1.0 0.56250 0.75000 0.58282 1.0000 + Sn Sn341 1.0 0.53125 0.78125 0.58282 1.0000 + Sn Sn342 1.0 0.50000 0.81250 0.58282 1.0000 + Sn Sn343 1.0 0.46875 0.84375 0.58282 1.0000 + Sn Sn344 1.0 0.43750 0.87500 0.58282 1.0000 + Sn Sn345 1.0 0.40625 0.90625 0.58282 1.0000 + Sn Sn346 1.0 0.37500 0.93750 0.58282 1.0000 + Sn Sn347 1.0 0.34375 0.96875 0.58282 1.0000 + Sn Sn348 1.0 0.31250 0.00000 0.58282 1.0000 + Sn Sn349 1.0 0.28125 0.03125 0.58282 1.0000 + Sn Sn350 1.0 0.25000 0.06250 0.58282 1.0000 + Sn Sn351 1.0 0.21875 0.09375 0.58282 1.0000 + Sn Sn352 1.0 0.18750 0.12500 0.58282 1.0000 + Sn Sn353 1.0 0.68750 0.68750 0.58282 1.0000 + Sn Sn354 1.0 0.65625 0.71875 0.58282 1.0000 + Sn Sn355 1.0 0.62500 0.75000 0.58282 1.0000 + Sn Sn356 1.0 0.59375 0.78125 0.58282 1.0000 + Sn Sn357 1.0 0.56250 0.81250 0.58282 1.0000 + Sn Sn358 1.0 0.53125 0.84375 0.58282 1.0000 + Sn Sn359 1.0 0.50000 0.87500 0.58282 1.0000 + Sn Sn360 1.0 0.46875 0.90625 0.58282 1.0000 + Sn Sn361 1.0 0.43750 0.93750 0.58282 1.0000 + Sn Sn362 1.0 0.40625 0.96875 0.58282 1.0000 + Sn Sn363 1.0 0.37500 0.00000 0.58282 1.0000 + Sn Sn364 1.0 0.34375 0.03125 0.58282 1.0000 + Sn Sn365 1.0 0.31250 0.06250 0.58282 1.0000 + Sn Sn366 1.0 0.28125 0.09375 0.58282 1.0000 + Sn Sn367 1.0 0.25000 0.12500 0.58282 1.0000 + Sn Sn368 1.0 0.21875 0.15625 0.58282 1.0000 + Sn Sn369 1.0 0.71875 0.71875 0.58282 1.0000 + Sn Sn370 1.0 0.68750 0.75000 0.58282 1.0000 + Sn Sn371 1.0 0.65625 0.78125 0.58282 1.0000 + Sn Sn372 1.0 0.62500 0.81250 0.58282 1.0000 + Sn Sn373 1.0 0.59375 0.84375 0.58282 1.0000 + Sn Sn374 1.0 0.56250 0.87500 0.58282 1.0000 + Sn Sn375 1.0 0.53125 0.90625 0.58282 1.0000 + Sn Sn376 1.0 0.50000 0.93750 0.58282 1.0000 + Sn Sn377 1.0 0.46875 0.96875 0.58282 1.0000 + Sn Sn378 1.0 0.43750 1.00000 0.58282 1.0000 + Sn Sn379 1.0 0.40625 0.03125 0.58282 1.0000 + Sn Sn380 1.0 0.37500 0.06250 0.58282 1.0000 + Sn Sn381 1.0 0.34375 0.09375 0.58282 1.0000 + Sn Sn382 1.0 0.31250 0.12500 0.58282 1.0000 + Sn Sn383 1.0 0.28125 0.15625 0.58282 1.0000 + Sn Sn384 1.0 0.25000 0.18750 0.58282 1.0000 + Sn Sn385 1.0 0.75000 0.75000 0.58282 1.0000 + Sn Sn386 1.0 0.71875 0.78125 0.58282 1.0000 + Sn Sn387 1.0 0.68750 0.81250 0.58282 1.0000 + Sn Sn388 1.0 0.65625 0.84375 0.58282 1.0000 + Sn Sn389 1.0 0.62500 0.87500 0.58282 1.0000 + Sn Sn390 1.0 0.59375 0.90625 0.58282 1.0000 + Sn Sn391 1.0 0.56250 0.93750 0.58282 1.0000 + Sn Sn392 1.0 0.53125 0.96875 0.58282 1.0000 + Sn Sn393 1.0 0.50000 0.00000 0.58282 1.0000 + Sn Sn394 1.0 0.46875 0.03125 0.58282 1.0000 + Sn Sn395 1.0 0.43750 0.06250 0.58282 1.0000 + Sn Sn396 1.0 0.40625 0.09375 0.58282 1.0000 + Sn Sn397 1.0 0.37500 0.12500 0.58282 1.0000 + Sn Sn398 1.0 0.34375 0.15625 0.58282 1.0000 + Sn Sn399 1.0 0.31250 0.18750 0.58282 1.0000 + Sn Sn400 1.0 0.28125 0.21875 0.58282 1.0000 + Sn Sn401 1.0 0.78125 0.78125 0.58282 1.0000 + Sn Sn402 1.0 0.75000 0.81250 0.58282 1.0000 + Sn Sn403 1.0 0.71875 0.84375 0.58282 1.0000 + Sn Sn404 1.0 0.68750 0.87500 0.58282 1.0000 + Sn Sn405 1.0 0.65625 0.90625 0.58282 1.0000 + Sn Sn406 1.0 0.62500 0.93750 0.58282 1.0000 + Sn Sn407 1.0 0.59375 0.96875 0.58282 1.0000 + Sn Sn408 1.0 0.56250 0.00000 0.58282 1.0000 + Sn Sn409 1.0 0.53125 0.03125 0.58282 1.0000 + Sn Sn410 1.0 0.50000 0.06250 0.58282 1.0000 + Sn Sn411 1.0 0.46875 0.09375 0.58282 1.0000 + Sn Sn412 1.0 0.43750 0.12500 0.58282 1.0000 + Sn Sn413 1.0 0.40625 0.15625 0.58282 1.0000 + Sn Sn414 1.0 0.37500 0.18750 0.58282 1.0000 + Sn Sn415 1.0 0.34375 0.21875 0.58282 1.0000 + Sn Sn416 1.0 0.31250 0.25000 0.58282 1.0000 + Sn Sn417 1.0 0.81250 0.81250 0.58282 1.0000 + Sn Sn418 1.0 0.78125 0.84375 0.58282 1.0000 + Sn Sn419 1.0 0.75000 0.87500 0.58282 1.0000 + Sn Sn420 1.0 0.71875 0.90625 0.58282 1.0000 + Sn Sn421 1.0 0.68750 0.93750 0.58282 1.0000 + Sn Sn422 1.0 0.65625 0.96875 0.58282 1.0000 + Sn Sn423 1.0 0.62500 0.00000 0.58282 1.0000 + Sn Sn424 1.0 0.59375 0.03125 0.58282 1.0000 + Sn Sn425 1.0 0.56250 0.06250 0.58282 1.0000 + Sn Sn426 1.0 0.53125 0.09375 0.58282 1.0000 + Sn Sn427 1.0 0.50000 0.12500 0.58282 1.0000 + Sn Sn428 1.0 0.46875 0.15625 0.58282 1.0000 + Sn Sn429 1.0 0.43750 0.18750 0.58282 1.0000 + Sn Sn430 1.0 0.40625 0.21875 0.58282 1.0000 + Sn Sn431 1.0 0.37500 0.25000 0.58282 1.0000 + Sn Sn432 1.0 0.34375 0.28125 0.58282 1.0000 + Sn Sn433 1.0 0.84375 0.84375 0.58282 1.0000 + Sn Sn434 1.0 0.81250 0.87500 0.58282 1.0000 + Sn Sn435 1.0 0.78125 0.90625 0.58282 1.0000 + Sn Sn436 1.0 0.75000 0.93750 0.58282 1.0000 + Sn Sn437 1.0 0.71875 0.96875 0.58282 1.0000 + Sn Sn438 1.0 0.68750 1.00000 0.58282 1.0000 + Sn Sn439 1.0 0.65625 0.03125 0.58282 1.0000 + Sn Sn440 1.0 0.62500 0.06250 0.58282 1.0000 + Sn Sn441 1.0 0.59375 0.09375 0.58282 1.0000 + Sn Sn442 1.0 0.56250 0.12500 0.58282 1.0000 + Sn Sn443 1.0 0.53125 0.15625 0.58282 1.0000 + Sn Sn444 1.0 0.50000 0.18750 0.58282 1.0000 + Sn Sn445 1.0 0.46875 0.21875 0.58282 1.0000 + Sn Sn446 1.0 0.43750 0.25000 0.58282 1.0000 + Sn Sn447 1.0 0.40625 0.28125 0.58282 1.0000 + Sn Sn448 1.0 0.37500 0.31250 0.58282 1.0000 + Sn Sn449 1.0 0.87500 0.87500 0.58282 1.0000 + Sn Sn450 1.0 0.84375 0.90625 0.58282 1.0000 + Sn Sn451 1.0 0.81250 0.93750 0.58282 1.0000 + Sn Sn452 1.0 0.78125 0.96875 0.58282 1.0000 + Sn Sn453 1.0 0.75000 0.00000 0.58282 1.0000 + Sn Sn454 1.0 0.71875 0.03125 0.58282 1.0000 + Sn Sn455 1.0 0.68750 0.06250 0.58282 1.0000 + Sn Sn456 1.0 0.65625 0.09375 0.58282 1.0000 + Sn Sn457 1.0 0.62500 0.12500 0.58282 1.0000 + Sn Sn458 1.0 0.59375 0.15625 0.58282 1.0000 + Sn Sn459 1.0 0.56250 0.18750 0.58282 1.0000 + Sn Sn460 1.0 0.53125 0.21875 0.58282 1.0000 + Sn Sn461 1.0 0.50000 0.25000 0.58282 1.0000 + Sn Sn462 1.0 0.46875 0.28125 0.58282 1.0000 + Sn Sn463 1.0 0.43750 0.31250 0.58282 1.0000 + Sn Sn464 1.0 0.40625 0.34375 0.58282 1.0000 + Sn Sn465 1.0 0.90625 0.90625 0.58282 1.0000 + Sn Sn466 1.0 0.87500 0.93750 0.58282 1.0000 + Sn Sn467 1.0 0.84375 0.96875 0.58282 1.0000 + Sn Sn468 1.0 0.81250 0.00000 0.58282 1.0000 + Sn Sn469 1.0 0.78125 0.03125 0.58282 1.0000 + Sn Sn470 1.0 0.75000 0.06250 0.58282 1.0000 + Sn Sn471 1.0 0.71875 0.09375 0.58282 1.0000 + Sn Sn472 1.0 0.68750 0.12500 0.58282 1.0000 + Sn Sn473 1.0 0.65625 0.15625 0.58282 1.0000 + Sn Sn474 1.0 0.62500 0.18750 0.58282 1.0000 + Sn Sn475 1.0 0.59375 0.21875 0.58282 1.0000 + Sn Sn476 1.0 0.56250 0.25000 0.58282 1.0000 + Sn Sn477 1.0 0.53125 0.28125 0.58282 1.0000 + Sn Sn478 1.0 0.50000 0.31250 0.58282 1.0000 + Sn Sn479 1.0 0.46875 0.34375 0.58282 1.0000 + Sn Sn480 1.0 0.43750 0.37500 0.58282 1.0000 + Sn Sn481 1.0 0.93750 0.93750 0.58282 1.0000 + Sn Sn482 1.0 0.90625 0.96875 0.58282 1.0000 + Sn Sn483 1.0 0.87500 0.00000 0.58282 1.0000 + Sn Sn484 1.0 0.84375 0.03125 0.58282 1.0000 + Sn Sn485 1.0 0.81250 0.06250 0.58282 1.0000 + Sn Sn486 1.0 0.78125 0.09375 0.58282 1.0000 + Sn Sn487 1.0 0.75000 0.12500 0.58282 1.0000 + Sn Sn488 1.0 0.71875 0.15625 0.58282 1.0000 + Sn Sn489 1.0 0.68750 0.18750 0.58282 1.0000 + Sn Sn490 1.0 0.65625 0.21875 0.58282 1.0000 + Sn Sn491 1.0 0.62500 0.25000 0.58282 1.0000 + Sn Sn492 1.0 0.59375 0.28125 0.58282 1.0000 + Sn Sn493 1.0 0.56250 0.31250 0.58282 1.0000 + Sn Sn494 1.0 0.53125 0.34375 0.58282 1.0000 + Sn Sn495 1.0 0.50000 0.37500 0.58282 1.0000 + Sn Sn496 1.0 0.46875 0.40625 0.58282 1.0000 + Sn Sn497 1.0 0.96875 0.96875 0.58282 1.0000 + Sn Sn498 1.0 0.93750 0.00000 0.58282 1.0000 + Sn Sn499 1.0 0.90625 0.03125 0.58282 1.0000 + Sn Sn500 1.0 0.87500 0.06250 0.58282 1.0000 + Sn Sn501 1.0 0.84375 0.09375 0.58282 1.0000 + Sn Sn502 1.0 0.81250 0.12500 0.58282 1.0000 + Sn Sn503 1.0 0.78125 0.15625 0.58282 1.0000 + Sn Sn504 1.0 0.75000 0.18750 0.58282 1.0000 + Sn Sn505 1.0 0.71875 0.21875 0.58282 1.0000 + Sn Sn506 1.0 0.68750 0.25000 0.58282 1.0000 + Sn Sn507 1.0 0.65625 0.28125 0.58282 1.0000 + Sn Sn508 1.0 0.62500 0.31250 0.58282 1.0000 + Sn Sn509 1.0 0.59375 0.34375 0.58282 1.0000 + Sn Sn510 1.0 0.56250 0.37500 0.58282 1.0000 + Sn Sn511 1.0 0.53125 0.40625 0.58282 1.0000 + Sn Sn512 1.0 0.50000 0.43750 0.58282 1.0000 + Ge Ge257 1.0 0.48958 0.53125 0.41718 1.0000 + Ge Ge258 1.0 0.45833 0.56250 0.41718 1.0000 + Ge Ge259 1.0 0.42708 0.59375 0.41718 1.0000 + Ge Ge260 1.0 0.39583 0.62500 0.41718 1.0000 + Ge Ge261 1.0 0.36458 0.65625 0.41718 1.0000 + Ge Ge262 1.0 0.33333 0.68750 0.41718 1.0000 + Ge Ge263 1.0 0.30208 0.71875 0.41718 1.0000 + Ge Ge264 1.0 0.27083 0.75000 0.41718 1.0000 + Ge Ge265 1.0 0.23958 0.78125 0.41718 1.0000 + Ge Ge266 1.0 0.20833 0.81250 0.41718 1.0000 + Ge Ge267 1.0 0.17708 0.84375 0.41718 1.0000 + Ge Ge268 1.0 0.14583 0.87500 0.41718 1.0000 + Ge Ge269 1.0 0.11458 0.90625 0.41718 1.0000 + Ge Ge270 1.0 0.08333 0.93750 0.41718 1.0000 + Ge Ge271 1.0 0.05208 0.96875 0.41718 1.0000 + Ge Ge272 1.0 0.02083 0.00000 0.41718 1.0000 + Ge Ge273 1.0 0.52083 0.56250 0.41718 1.0000 + Ge Ge274 1.0 0.48958 0.59375 0.41718 1.0000 + Ge Ge275 1.0 0.45833 0.62500 0.41718 1.0000 + Ge Ge276 1.0 0.42708 0.65625 0.41718 1.0000 + Ge Ge277 1.0 0.39583 0.68750 0.41718 1.0000 + Ge Ge278 1.0 0.36458 0.71875 0.41718 1.0000 + Ge Ge279 1.0 0.33333 0.75000 0.41718 1.0000 + Ge Ge280 1.0 0.30208 0.78125 0.41718 1.0000 + Ge Ge281 1.0 0.27083 0.81250 0.41718 1.0000 + Ge Ge282 1.0 0.23958 0.84375 0.41718 1.0000 + Ge Ge283 1.0 0.20833 0.87500 0.41718 1.0000 + Ge Ge284 1.0 0.17708 0.90625 0.41718 1.0000 + Ge Ge285 1.0 0.14583 0.93750 0.41718 1.0000 + Ge Ge286 1.0 0.11458 0.96875 0.41718 1.0000 + Ge Ge287 1.0 0.08333 1.00000 0.41718 1.0000 + Ge Ge288 1.0 0.05208 0.03125 0.41718 1.0000 + Ge Ge289 1.0 0.55208 0.59375 0.41718 1.0000 + Ge Ge290 1.0 0.52083 0.62500 0.41718 1.0000 + Ge Ge291 1.0 0.48958 0.65625 0.41718 1.0000 + Ge Ge292 1.0 0.45833 0.68750 0.41718 1.0000 + Ge Ge293 1.0 0.42708 0.71875 0.41718 1.0000 + Ge Ge294 1.0 0.39583 0.75000 0.41718 1.0000 + Ge Ge295 1.0 0.36458 0.78125 0.41718 1.0000 + Ge Ge296 1.0 0.33333 0.81250 0.41718 1.0000 + Ge Ge297 1.0 0.30208 0.84375 0.41718 1.0000 + Ge Ge298 1.0 0.27083 0.87500 0.41718 1.0000 + Ge Ge299 1.0 0.23958 0.90625 0.41718 1.0000 + Ge Ge300 1.0 0.20833 0.93750 0.41718 1.0000 + Ge Ge301 1.0 0.17708 0.96875 0.41718 1.0000 + Ge Ge302 1.0 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Co Co250 1.0 0.75000 0.04167 0.50000 1.0000 + Co Co251 1.0 0.79167 0.08333 0.50000 1.0000 + Co Co252 1.0 0.83333 0.12500 0.50000 1.0000 + Co Co253 1.0 0.41667 0.62500 0.50000 1.0000 + Co Co254 1.0 0.45833 0.66667 0.50000 1.0000 + Co Co255 1.0 0.50000 0.70833 0.50000 1.0000 + Co Co256 1.0 0.54167 0.75000 0.50000 1.0000 + Co Co257 1.0 0.58333 0.79167 0.50000 1.0000 + Co Co258 1.0 0.62500 0.83333 0.50000 1.0000 + Co Co259 1.0 0.66667 0.87500 0.50000 1.0000 + Co Co260 1.0 0.70833 0.91667 0.50000 1.0000 + Co Co261 1.0 0.75000 0.95833 0.50000 1.0000 + Co Co262 1.0 0.79167 1.00000 0.50000 1.0000 + Co Co263 1.0 0.83333 0.04167 0.50000 1.0000 + Co Co264 1.0 0.87500 0.08333 0.50000 1.0000 + Co Co265 1.0 0.45833 0.58333 0.50000 1.0000 + Co Co266 1.0 0.50000 0.62500 0.50000 1.0000 + Co Co267 1.0 0.54167 0.66667 0.50000 1.0000 + Co Co268 1.0 0.58333 0.70833 0.50000 1.0000 + Co Co269 1.0 0.62500 0.75000 0.50000 1.0000 + Co Co270 1.0 0.66667 0.79167 0.50000 1.0000 + Co Co271 1.0 0.70833 0.83333 0.50000 1.0000 + Co Co272 1.0 0.75000 0.87500 0.50000 1.0000 + Co Co273 1.0 0.79167 0.91667 0.50000 1.0000 + Co Co274 1.0 0.83333 0.95833 0.50000 1.0000 + Co Co275 1.0 0.87500 0.00000 0.50000 1.0000 + Co Co276 1.0 0.91667 0.04167 0.50000 1.0000 + Co Co277 1.0 0.50000 0.54167 0.50000 1.0000 + Co Co278 1.0 0.54167 0.58333 0.50000 1.0000 + Co Co279 1.0 0.58333 0.62500 0.50000 1.0000 + Co Co280 1.0 0.62500 0.66667 0.50000 1.0000 + Co Co281 1.0 0.66667 0.70833 0.50000 1.0000 + Co Co282 1.0 0.70833 0.75000 0.50000 1.0000 + Co Co283 1.0 0.75000 0.79167 0.50000 1.0000 + Co Co284 1.0 0.79167 0.83333 0.50000 1.0000 + Co Co285 1.0 0.83333 0.87500 0.50000 1.0000 + Co Co286 1.0 0.87500 0.91667 0.50000 1.0000 + Co Co287 1.0 0.91667 0.95833 0.50000 1.0000 + Co Co288 1.0 0.95833 1.00000 0.50000 1.0000 + Co Co289 1.0 0.02083 0.97917 0.50000 1.0000 + Co Co290 1.0 0.06250 0.02083 0.50000 1.0000 + Co Co291 1.0 0.10417 0.06250 0.50000 1.0000 + Co Co292 1.0 0.14583 0.10417 0.50000 1.0000 + Co Co293 1.0 0.18750 0.14583 0.50000 1.0000 + Co Co294 1.0 0.22917 0.18750 0.50000 1.0000 + Co Co295 1.0 0.27083 0.22917 0.50000 1.0000 + Co Co296 1.0 0.31250 0.27083 0.50000 1.0000 + Co Co297 1.0 0.35417 0.31250 0.50000 1.0000 + Co Co298 1.0 0.39583 0.35417 0.50000 1.0000 + Co Co299 1.0 0.43750 0.39583 0.50000 1.0000 + Co Co300 1.0 0.47917 0.43750 0.50000 1.0000 + Co Co301 1.0 0.06250 0.93750 0.50000 1.0000 + Co Co302 1.0 0.10417 0.97917 0.50000 1.0000 + Co Co303 1.0 0.14583 0.02083 0.50000 1.0000 + Co Co304 1.0 0.18750 0.06250 0.50000 1.0000 + Co Co305 1.0 0.22917 0.10417 0.50000 1.0000 + Co Co306 1.0 0.27083 0.14583 0.50000 1.0000 + Co Co307 1.0 0.31250 0.18750 0.50000 1.0000 + Co Co308 1.0 0.35417 0.22917 0.50000 1.0000 + Co Co309 1.0 0.39583 0.27083 0.50000 1.0000 + Co Co310 1.0 0.43750 0.31250 0.50000 1.0000 + Co Co311 1.0 0.47917 0.35417 0.50000 1.0000 + Co Co312 1.0 0.52083 0.39583 0.50000 1.0000 + Co Co313 1.0 0.10417 0.89583 0.50000 1.0000 + Co Co314 1.0 0.14583 0.93750 0.50000 1.0000 + Co Co315 1.0 0.18750 0.97917 0.50000 1.0000 + Co Co316 1.0 0.22917 0.02083 0.50000 1.0000 + Co Co317 1.0 0.27083 0.06250 0.50000 1.0000 + Co Co318 1.0 0.31250 0.10417 0.50000 1.0000 + Co Co319 1.0 0.35417 0.14583 0.50000 1.0000 + Co Co320 1.0 0.39583 0.18750 0.50000 1.0000 + Co Co321 1.0 0.43750 0.22917 0.50000 1.0000 + Co Co322 1.0 0.47917 0.27083 0.50000 1.0000 + Co Co323 1.0 0.52083 0.31250 0.50000 1.0000 + Co Co324 1.0 0.56250 0.35417 0.50000 1.0000 + Co Co325 1.0 0.14583 0.85417 0.50000 1.0000 + Co Co326 1.0 0.18750 0.89583 0.50000 1.0000 + Co Co327 1.0 0.22917 0.93750 0.50000 1.0000 + Co Co328 1.0 0.27083 0.97917 0.50000 1.0000 + Co Co329 1.0 0.31250 0.02083 0.50000 1.0000 + Co Co330 1.0 0.35417 0.06250 0.50000 1.0000 + Co Co331 1.0 0.39583 0.10417 0.50000 1.0000 + Co Co332 1.0 0.43750 0.14583 0.50000 1.0000 + Co Co333 1.0 0.47917 0.18750 0.50000 1.0000 + Co Co334 1.0 0.52083 0.22917 0.50000 1.0000 + Co Co335 1.0 0.56250 0.27083 0.50000 1.0000 + Co Co336 1.0 0.60417 0.31250 0.50000 1.0000 + Co Co337 1.0 0.18750 0.81250 0.50000 1.0000 + Co Co338 1.0 0.22917 0.85417 0.50000 1.0000 + Co Co339 1.0 0.27083 0.89583 0.50000 1.0000 + Co Co340 1.0 0.31250 0.93750 0.50000 1.0000 + Co Co341 1.0 0.35417 0.97917 0.50000 1.0000 + Co Co342 1.0 0.39583 0.02083 0.50000 1.0000 + Co Co343 1.0 0.43750 0.06250 0.50000 1.0000 + Co Co344 1.0 0.47917 0.10417 0.50000 1.0000 + Co Co345 1.0 0.52083 0.14583 0.50000 1.0000 + Co Co346 1.0 0.56250 0.18750 0.50000 1.0000 + Co Co347 1.0 0.60417 0.22917 0.50000 1.0000 + Co Co348 1.0 0.64583 0.27083 0.50000 1.0000 + Co Co349 1.0 0.22917 0.77083 0.50000 1.0000 + Co Co350 1.0 0.27083 0.81250 0.50000 1.0000 + Co Co351 1.0 0.31250 0.85417 0.50000 1.0000 + Co Co352 1.0 0.35417 0.89583 0.50000 1.0000 + Co Co353 1.0 0.39583 0.93750 0.50000 1.0000 + Co Co354 1.0 0.43750 0.97917 0.50000 1.0000 + Co Co355 1.0 0.47917 0.02083 0.50000 1.0000 + Co Co356 1.0 0.52083 0.06250 0.50000 1.0000 + Co Co357 1.0 0.56250 0.10417 0.50000 1.0000 + Co Co358 1.0 0.60417 0.14583 0.50000 1.0000 + Co Co359 1.0 0.64583 0.18750 0.50000 1.0000 + Co Co360 1.0 0.68750 0.22917 0.50000 1.0000 + Co Co361 1.0 0.27083 0.72917 0.50000 1.0000 + Co Co362 1.0 0.31250 0.77083 0.50000 1.0000 + Co Co363 1.0 0.35417 0.81250 0.50000 1.0000 + Co Co364 1.0 0.39583 0.85417 0.50000 1.0000 + Co Co365 1.0 0.43750 0.89583 0.50000 1.0000 + Co Co366 1.0 0.47917 0.93750 0.50000 1.0000 + Co Co367 1.0 0.52083 0.97917 0.50000 1.0000 + Co Co368 1.0 0.56250 0.02083 0.50000 1.0000 + Co Co369 1.0 0.60417 0.06250 0.50000 1.0000 + Co Co370 1.0 0.64583 0.10417 0.50000 1.0000 + Co Co371 1.0 0.68750 0.14583 0.50000 1.0000 + Co Co372 1.0 0.72917 0.18750 0.50000 1.0000 + Co Co373 1.0 0.31250 0.68750 0.50000 1.0000 + Co Co374 1.0 0.35417 0.72917 0.50000 1.0000 + Co Co375 1.0 0.39583 0.77083 0.50000 1.0000 + Co Co376 1.0 0.43750 0.81250 0.50000 1.0000 + Co Co377 1.0 0.47917 0.85417 0.50000 1.0000 + Co Co378 1.0 0.52083 0.89583 0.50000 1.0000 + Co Co379 1.0 0.56250 0.93750 0.50000 1.0000 + Co Co380 1.0 0.60417 0.97917 0.50000 1.0000 + Co Co381 1.0 0.64583 0.02083 0.50000 1.0000 + Co Co382 1.0 0.68750 0.06250 0.50000 1.0000 + Co Co383 1.0 0.72917 0.10417 0.50000 1.0000 + Co Co384 1.0 0.77083 0.14583 0.50000 1.0000 + Co Co385 1.0 0.35417 0.64583 0.50000 1.0000 + Co Co386 1.0 0.39583 0.68750 0.50000 1.0000 + Co Co387 1.0 0.43750 0.72917 0.50000 1.0000 + Co Co388 1.0 0.47917 0.77083 0.50000 1.0000 + Co Co389 1.0 0.52083 0.81250 0.50000 1.0000 + Co Co390 1.0 0.56250 0.85417 0.50000 1.0000 + Co Co391 1.0 0.60417 0.89583 0.50000 1.0000 + Co Co392 1.0 0.64583 0.93750 0.50000 1.0000 + Co Co393 1.0 0.68750 0.97917 0.50000 1.0000 + Co Co394 1.0 0.72917 0.02083 0.50000 1.0000 + Co Co395 1.0 0.77083 0.06250 0.50000 1.0000 + Co Co396 1.0 0.81250 0.10417 0.50000 1.0000 + Co Co397 1.0 0.39583 0.60417 0.50000 1.0000 + Co Co398 1.0 0.43750 0.64583 0.50000 1.0000 + Co Co399 1.0 0.47917 0.68750 0.50000 1.0000 + Co Co400 1.0 0.52083 0.72917 0.50000 1.0000 + Co Co401 1.0 0.56250 0.77083 0.50000 1.0000 + Co Co402 1.0 0.60417 0.81250 0.50000 1.0000 + Co Co403 1.0 0.64583 0.85417 0.50000 1.0000 + Co Co404 1.0 0.68750 0.89583 0.50000 1.0000 + Co Co405 1.0 0.72917 0.93750 0.50000 1.0000 + Co Co406 1.0 0.77083 0.97917 0.50000 1.0000 + Co Co407 1.0 0.81250 0.02083 0.50000 1.0000 + Co Co408 1.0 0.85417 0.06250 0.50000 1.0000 + Co Co409 1.0 0.43750 0.56250 0.50000 1.0000 + Co Co410 1.0 0.47917 0.60417 0.50000 1.0000 + Co Co411 1.0 0.52083 0.64583 0.50000 1.0000 + Co Co412 1.0 0.56250 0.68750 0.50000 1.0000 + Co Co413 1.0 0.60417 0.72917 0.50000 1.0000 + Co Co414 1.0 0.64583 0.77083 0.50000 1.0000 + Co Co415 1.0 0.68750 0.81250 0.50000 1.0000 + Co Co416 1.0 0.72917 0.85417 0.50000 1.0000 + Co Co417 1.0 0.77083 0.89583 0.50000 1.0000 + Co Co418 1.0 0.81250 0.93750 0.50000 1.0000 + Co Co419 1.0 0.85417 0.97917 0.50000 1.0000 + Co Co420 1.0 0.89583 0.02083 0.50000 1.0000 + Co Co421 1.0 0.47917 0.52083 0.50000 1.0000 + Co Co422 1.0 0.52083 0.56250 0.50000 1.0000 + Co Co423 1.0 0.56250 0.60417 0.50000 1.0000 + Co Co424 1.0 0.60417 0.64583 0.50000 1.0000 + Co Co425 1.0 0.64583 0.68750 0.50000 1.0000 + Co Co426 1.0 0.68750 0.72917 0.50000 1.0000 + Co Co427 1.0 0.72917 0.77083 0.50000 1.0000 + Co Co428 1.0 0.77083 0.81250 0.50000 1.0000 + Co Co429 1.0 0.81250 0.85417 0.50000 1.0000 + Co Co430 1.0 0.85417 0.89583 0.50000 1.0000 + Co Co431 1.0 0.89583 0.93750 0.50000 1.0000 + Co Co432 1.0 0.93750 0.97917 0.50000 1.0000 + Ni Ni1 1.0 0.00000 0.00000 0.50000 1.0000 + Ni Ni2 1.0 0.54167 0.54167 0.50000 1.0000 + Ni Ni3 1.0 0.58333 0.58333 0.50000 1.0000 + Ni Ni4 1.0 0.12500 0.12500 0.50000 1.0000 + Ni Ni5 1.0 0.16667 0.16667 0.50000 1.0000 + Ni Ni6 1.0 0.70833 0.70833 0.50000 1.0000 + Ni Ni7 1.0 0.25000 0.25000 0.50000 1.0000 + Ni Ni8 1.0 0.79167 0.79167 0.50000 1.0000 + Ni Ni9 1.0 0.83333 0.83333 0.50000 1.0000 + Ni Ni10 1.0 0.37500 0.37500 0.50000 1.0000 + Ni Ni11 1.0 0.41667 0.41667 0.50000 1.0000 + Ni Ni12 1.0 0.95833 0.95833 0.50000 1.0000 + Ni Ni13 1.0 0.04167 0.95833 0.50000 1.0000 + Ni Ni14 1.0 0.08333 0.00000 0.50000 1.0000 + Ni Ni15 1.0 0.12500 0.04167 0.50000 1.0000 + Ni Ni16 1.0 0.16667 0.08333 0.50000 1.0000 + Ni Ni17 1.0 0.20833 0.12500 0.50000 1.0000 + Ni Ni18 1.0 0.25000 0.16667 0.50000 1.0000 + Ni Ni19 1.0 0.29167 0.20833 0.50000 1.0000 + Ni Ni20 1.0 0.33333 0.25000 0.50000 1.0000 + Ni Ni21 1.0 0.37500 0.29167 0.50000 1.0000 + Ni Ni22 1.0 0.41667 0.33333 0.50000 1.0000 + Ni Ni23 1.0 0.45833 0.37500 0.50000 1.0000 + Ni Ni24 1.0 0.50000 0.41667 0.50000 1.0000 + Ni Ni25 1.0 0.08333 0.91667 0.50000 1.0000 + Ni Ni26 1.0 0.12500 0.95833 0.50000 1.0000 + Ni Ni27 1.0 0.16667 0.00000 0.50000 1.0000 + Ni Ni28 1.0 0.20833 0.04167 0.50000 1.0000 + Ni Ni29 1.0 0.25000 0.08333 0.50000 1.0000 + Ni Ni30 1.0 0.29167 0.12500 0.50000 1.0000 + Ni Ni31 1.0 0.33333 0.16667 0.50000 1.0000 + Ni Ni32 1.0 0.37500 0.20833 0.50000 1.0000 + Ni Ni33 1.0 0.41667 0.25000 0.50000 1.0000 + Ni Ni34 1.0 0.45833 0.29167 0.50000 1.0000 + Ni Ni35 1.0 0.50000 0.33333 0.50000 1.0000 + Ni Ni36 1.0 0.54167 0.37500 0.50000 1.0000 + Ni Ni37 1.0 0.12500 0.87500 0.50000 1.0000 + Ni Ni38 1.0 0.16667 0.91667 0.50000 1.0000 + Ni Ni39 1.0 0.20833 0.95833 0.50000 1.0000 + Ni Ni40 1.0 0.25000 0.00000 0.50000 1.0000 + Ni Ni41 1.0 0.29167 0.04167 0.50000 1.0000 + Ni Ni42 1.0 0.33333 0.08333 0.50000 1.0000 + Ni Ni43 1.0 0.37500 0.12500 0.50000 1.0000 + Ni Ni44 1.0 0.41667 0.16667 0.50000 1.0000 + Ni Ni45 1.0 0.45833 0.20833 0.50000 1.0000 + Ni Ni46 1.0 0.50000 0.25000 0.50000 1.0000 + Ni Ni47 1.0 0.54167 0.29167 0.50000 1.0000 + Ni Ni48 1.0 0.58333 0.33333 0.50000 1.0000 + Ni Ni49 1.0 0.16667 0.83333 0.50000 1.0000 + Ni Ni50 1.0 0.20833 0.87500 0.50000 1.0000 + Ni Ni51 1.0 0.25000 0.91667 0.50000 1.0000 + Ni Ni52 1.0 0.29167 0.95833 0.50000 1.0000 + Ni Ni53 1.0 0.33333 0.00000 0.50000 1.0000 + Ni Ni54 1.0 0.37500 0.04167 0.50000 1.0000 + Ni Ni55 1.0 0.41667 0.08333 0.50000 1.0000 + Ni Ni56 1.0 0.45833 0.12500 0.50000 1.0000 + Ni Ni57 1.0 0.50000 0.16667 0.50000 1.0000 + Ni Ni58 1.0 0.54167 0.20833 0.50000 1.0000 + Ni Ni59 1.0 0.58333 0.25000 0.50000 1.0000 + Ni Ni60 1.0 0.62500 0.29167 0.50000 1.0000 + Ni Ni61 1.0 0.20833 0.79167 0.50000 1.0000 + Ni Ni62 1.0 0.25000 0.83333 0.50000 1.0000 + Ni Ni63 1.0 0.29167 0.87500 0.50000 1.0000 + Ni Ni64 1.0 0.33333 0.91667 0.50000 1.0000 + Ni Ni65 1.0 0.37500 0.95833 0.50000 1.0000 + Ni Ni66 1.0 0.41667 1.00000 0.50000 1.0000 + Ni Ni67 1.0 0.45833 0.04167 0.50000 1.0000 + Ni Ni68 1.0 0.50000 0.08333 0.50000 1.0000 + Ni Ni69 1.0 0.54167 0.12500 0.50000 1.0000 + Ni Ni70 1.0 0.58333 0.16667 0.50000 1.0000 + Ni Ni71 1.0 0.62500 0.20833 0.50000 1.0000 + Ni Ni72 1.0 0.66667 0.25000 0.50000 1.0000 + Ni Ni73 1.0 0.25000 0.75000 0.50000 1.0000 + Ni Ni74 1.0 0.29167 0.79167 0.50000 1.0000 + Ni Ni75 1.0 0.33333 0.83333 0.50000 1.0000 + Ni Ni76 1.0 0.37500 0.87500 0.50000 1.0000 + Ni Ni77 1.0 0.41667 0.91667 0.50000 1.0000 + Ni Ni78 1.0 0.45833 0.95833 0.50000 1.0000 + Ni Ni79 1.0 0.50000 0.00000 0.50000 1.0000 + Ni Ni80 1.0 0.54167 0.04167 0.50000 1.0000 + Ni Ni81 1.0 0.58333 0.08333 0.50000 1.0000 + Ni Ni82 1.0 0.62500 0.12500 0.50000 1.0000 + Ni Ni83 1.0 0.66667 0.16667 0.50000 1.0000 + Ni Ni84 1.0 0.70833 0.20833 0.50000 1.0000 + Ni Ni85 1.0 0.29167 0.70833 0.50000 1.0000 + Ni Ni86 1.0 0.33333 0.75000 0.50000 1.0000 + Ni Ni87 1.0 0.37500 0.79167 0.50000 1.0000 + Ni Ni88 1.0 0.41667 0.83333 0.50000 1.0000 + Ni Ni89 1.0 0.45833 0.87500 0.50000 1.0000 + Ni Ni90 1.0 0.50000 0.91667 0.50000 1.0000 + Ni Ni91 1.0 0.54167 0.95833 0.50000 1.0000 + Ni Ni92 1.0 0.58333 1.00000 0.50000 1.0000 + Ni Ni93 1.0 0.62500 0.04167 0.50000 1.0000 + Ni Ni94 1.0 0.66667 0.08333 0.50000 1.0000 + Ni Ni95 1.0 0.70833 0.12500 0.50000 1.0000 + Ni Ni96 1.0 0.75000 0.16667 0.50000 1.0000 + Ni Ni97 1.0 0.33333 0.66667 0.50000 1.0000 + Ni Ni98 1.0 0.37500 0.70833 0.50000 1.0000 + Ni Ni99 1.0 0.41667 0.75000 0.50000 1.0000 + Ni Ni100 1.0 0.45833 0.79167 0.50000 1.0000 + Ni Ni101 1.0 0.50000 0.83333 0.50000 1.0000 + Ni Ni102 1.0 0.54167 0.87500 0.50000 1.0000 + Ni Ni103 1.0 0.58333 0.91667 0.50000 1.0000 + Ni Ni104 1.0 0.62500 0.95833 0.50000 1.0000 + Ni Ni105 1.0 0.66667 1.00000 0.50000 1.0000 + Ni Ni106 1.0 0.70833 0.04167 0.50000 1.0000 + Ni Ni107 1.0 0.75000 0.08333 0.50000 1.0000 + Ni Ni108 1.0 0.79167 0.12500 0.50000 1.0000 + Ni Ni109 1.0 0.37500 0.62500 0.50000 1.0000 + Ni Ni110 1.0 0.41667 0.66667 0.50000 1.0000 + Ni Ni111 1.0 0.45833 0.70833 0.50000 1.0000 + Ni Ni112 1.0 0.50000 0.75000 0.50000 1.0000 + Ni Ni113 1.0 0.54167 0.79167 0.50000 1.0000 + Ni Ni114 1.0 0.58333 0.83333 0.50000 1.0000 + Ni Ni115 1.0 0.62500 0.87500 0.50000 1.0000 + Ni Ni116 1.0 0.66667 0.91667 0.50000 1.0000 + Ni Ni117 1.0 0.70833 0.95833 0.50000 1.0000 + Ni Ni118 1.0 0.75000 0.00000 0.50000 1.0000 + Ni Ni119 1.0 0.79167 0.04167 0.50000 1.0000 + Ni Ni120 1.0 0.83333 0.08333 0.50000 1.0000 + Ni Ni121 1.0 0.41667 0.58333 0.50000 1.0000 + Ni Ni122 1.0 0.45833 0.62500 0.50000 1.0000 + Ni Ni123 1.0 0.50000 0.66667 0.50000 1.0000 + Ni Ni124 1.0 0.54167 0.70833 0.50000 1.0000 + Ni Ni125 1.0 0.58333 0.75000 0.50000 1.0000 + Ni Ni126 1.0 0.62500 0.79167 0.50000 1.0000 + Ni Ni127 1.0 0.66667 0.83333 0.50000 1.0000 + Ni Ni128 1.0 0.70833 0.87500 0.50000 1.0000 + Ni Ni129 1.0 0.75000 0.91667 0.50000 1.0000 + Ni Ni130 1.0 0.79167 0.95833 0.50000 1.0000 + Ni Ni131 1.0 0.83333 1.00000 0.50000 1.0000 + Ni Ni132 1.0 0.87500 0.04167 0.50000 1.0000 + Ni Ni133 1.0 0.45833 0.54167 0.50000 1.0000 + Ni Ni134 1.0 0.50000 0.58333 0.50000 1.0000 + Ni Ni135 1.0 0.54167 0.62500 0.50000 1.0000 + Ni Ni136 1.0 0.58333 0.66667 0.50000 1.0000 + Ni Ni137 1.0 0.62500 0.70833 0.50000 1.0000 + Ni Ni138 1.0 0.66667 0.75000 0.50000 1.0000 + Ni Ni139 1.0 0.70833 0.79167 0.50000 1.0000 + Ni Ni140 1.0 0.75000 0.83333 0.50000 1.0000 + Ni Ni141 1.0 0.79167 0.87500 0.50000 1.0000 + Ni Ni142 1.0 0.83333 0.91667 0.50000 1.0000 + Ni Ni143 1.0 0.87500 0.95833 0.50000 1.0000 + Ni Ni144 1.0 0.91667 0.00000 0.50000 1.0000 + O O1 1.0 0.03475 0.02092 0.33908 1.0000 + O O2 1.0 0.07642 0.06259 0.33908 1.0000 + O O3 1.0 0.11809 0.10426 0.33908 1.0000 + O O4 1.0 0.15975 0.14592 0.33908 1.0000 + O O5 1.0 0.20142 0.18759 0.33908 1.0000 + O O6 1.0 0.24309 0.22926 0.33908 1.0000 + O O7 1.0 0.28475 0.27092 0.33908 1.0000 + O O8 1.0 0.32642 0.31259 0.33908 1.0000 + O O9 1.0 0.36809 0.35426 0.33908 1.0000 + O O10 1.0 0.40975 0.39592 0.33908 1.0000 + O O11 1.0 0.45142 0.43759 0.33908 1.0000 + O O12 1.0 0.49309 0.47926 0.33908 1.0000 + O O13 1.0 0.07642 0.97926 0.33908 1.0000 + O O14 1.0 0.11809 0.02092 0.33908 1.0000 + O O15 1.0 0.15975 0.06259 0.33908 1.0000 + O O16 1.0 0.20142 0.10426 0.33908 1.0000 + O O17 1.0 0.24309 0.14592 0.33908 1.0000 + O O18 1.0 0.28475 0.18759 0.33908 1.0000 + O O19 1.0 0.32642 0.22926 0.33908 1.0000 + O O20 1.0 0.36809 0.27092 0.33908 1.0000 + O O21 1.0 0.40975 0.31259 0.33908 1.0000 + O O22 1.0 0.45142 0.35426 0.33908 1.0000 + O O23 1.0 0.49309 0.39592 0.33908 1.0000 + O O24 1.0 0.53475 0.43759 0.33908 1.0000 + O O25 1.0 0.11809 0.93759 0.33908 1.0000 + O O26 1.0 0.15975 0.97926 0.33908 1.0000 + O O27 1.0 0.20142 0.02092 0.33908 1.0000 + O O28 1.0 0.24309 0.06259 0.33908 1.0000 + O O29 1.0 0.28475 0.10426 0.33908 1.0000 + O O30 1.0 0.32642 0.14592 0.33908 1.0000 + O O31 1.0 0.36809 0.18759 0.33908 1.0000 + O O32 1.0 0.40975 0.22926 0.33908 1.0000 + O O33 1.0 0.45142 0.27092 0.33908 1.0000 + O O34 1.0 0.49309 0.31259 0.33908 1.0000 + O O35 1.0 0.53475 0.35426 0.33908 1.0000 + O O36 1.0 0.57642 0.39592 0.33908 1.0000 + O O37 1.0 0.15975 0.89592 0.33908 1.0000 + O O38 1.0 0.20142 0.93759 0.33908 1.0000 + O O39 1.0 0.24309 0.97926 0.33908 1.0000 + O O40 1.0 0.28475 0.02092 0.33908 1.0000 + O O41 1.0 0.32642 0.06259 0.33908 1.0000 + O O42 1.0 0.36809 0.10426 0.33908 1.0000 + O O43 1.0 0.40975 0.14592 0.33908 1.0000 + O O44 1.0 0.45142 0.18759 0.33908 1.0000 + O O45 1.0 0.49309 0.22926 0.33908 1.0000 + O O46 1.0 0.53475 0.27092 0.33908 1.0000 + O O47 1.0 0.57642 0.31259 0.33908 1.0000 + O O48 1.0 0.61809 0.35426 0.33908 1.0000 + O O49 1.0 0.20142 0.85426 0.33908 1.0000 + O O50 1.0 0.24309 0.89592 0.33908 1.0000 + O O51 1.0 0.28475 0.93759 0.33908 1.0000 + O O52 1.0 0.32642 0.97926 0.33908 1.0000 + O O53 1.0 0.36809 0.02092 0.33908 1.0000 + O O54 1.0 0.40975 0.06259 0.33908 1.0000 + O O55 1.0 0.45142 0.10426 0.33908 1.0000 + O O56 1.0 0.49309 0.14592 0.33908 1.0000 + O O57 1.0 0.53475 0.18759 0.33908 1.0000 + O O58 1.0 0.57642 0.22926 0.33908 1.0000 + O O59 1.0 0.61809 0.27092 0.33908 1.0000 + O O60 1.0 0.65975 0.31259 0.33908 1.0000 + O O61 1.0 0.24309 0.81259 0.33908 1.0000 + O O62 1.0 0.28475 0.85426 0.33908 1.0000 + O O63 1.0 0.32642 0.89592 0.33908 1.0000 + O O64 1.0 0.36809 0.93759 0.33908 1.0000 + O O65 1.0 0.40975 0.97926 0.33908 1.0000 + O O66 1.0 0.45142 0.02092 0.33908 1.0000 + O O67 1.0 0.49309 0.06259 0.33908 1.0000 + O O68 1.0 0.53475 0.10426 0.33908 1.0000 + O O69 1.0 0.57642 0.14592 0.33908 1.0000 + O O70 1.0 0.61809 0.18759 0.33908 1.0000 + O O71 1.0 0.65975 0.22926 0.33908 1.0000 + O O72 1.0 0.70142 0.27092 0.33908 1.0000 + O O73 1.0 0.28475 0.77092 0.33908 1.0000 + O O74 1.0 0.32642 0.81259 0.33908 1.0000 + O O75 1.0 0.36809 0.85426 0.33908 1.0000 + O O76 1.0 0.40975 0.89592 0.33908 1.0000 + O O77 1.0 0.45142 0.93759 0.33908 1.0000 + O O78 1.0 0.49309 0.97926 0.33908 1.0000 + O O79 1.0 0.53475 0.02092 0.33908 1.0000 + O O80 1.0 0.57642 0.06259 0.33908 1.0000 + O O81 1.0 0.61809 0.10426 0.33908 1.0000 + O O82 1.0 0.65975 0.14592 0.33908 1.0000 + O O83 1.0 0.70142 0.18759 0.33908 1.0000 + O O84 1.0 0.74309 0.22926 0.33908 1.0000 + O O85 1.0 0.32642 0.72926 0.33908 1.0000 + O O86 1.0 0.36809 0.77092 0.33908 1.0000 + O O87 1.0 0.40975 0.81259 0.33908 1.0000 + O O88 1.0 0.45142 0.85426 0.33908 1.0000 + O O89 1.0 0.49309 0.89592 0.33908 1.0000 + O O90 1.0 0.53475 0.93759 0.33908 1.0000 + O O91 1.0 0.57642 0.97926 0.33908 1.0000 + O O92 1.0 0.61809 0.02092 0.33908 1.0000 + O O93 1.0 0.65975 0.06259 0.33908 1.0000 + O O94 1.0 0.70142 0.10426 0.33908 1.0000 + O O95 1.0 0.74309 0.14592 0.33908 1.0000 + O O96 1.0 0.78475 0.18759 0.33908 1.0000 + O O97 1.0 0.36809 0.68759 0.33908 1.0000 + O O98 1.0 0.40975 0.72926 0.33908 1.0000 + O O99 1.0 0.45142 0.77092 0.33908 1.0000 + O O100 1.0 0.49309 0.81259 0.33908 1.0000 + O O101 1.0 0.53475 0.85426 0.33908 1.0000 + O O102 1.0 0.57642 0.89592 0.33908 1.0000 + O O103 1.0 0.61809 0.93759 0.33908 1.0000 + O O104 1.0 0.65975 0.97926 0.33908 1.0000 + O O105 1.0 0.70142 0.02092 0.33908 1.0000 + O O106 1.0 0.74309 0.06259 0.33908 1.0000 + O O107 1.0 0.78475 0.10426 0.33908 1.0000 + O O108 1.0 0.82642 0.14592 0.33908 1.0000 + O O109 1.0 0.40975 0.64592 0.33908 1.0000 + O O110 1.0 0.45142 0.68759 0.33908 1.0000 + O O111 1.0 0.49309 0.72926 0.33908 1.0000 + O O112 1.0 0.53475 0.77092 0.33908 1.0000 + O O113 1.0 0.57642 0.81259 0.33908 1.0000 + O O114 1.0 0.61809 0.85426 0.33908 1.0000 + O O115 1.0 0.65975 0.89592 0.33908 1.0000 + O O116 1.0 0.70142 0.93759 0.33908 1.0000 + O O117 1.0 0.74309 0.97926 0.33908 1.0000 + O O118 1.0 0.78475 0.02092 0.33908 1.0000 + O O119 1.0 0.82642 0.06259 0.33908 1.0000 + O O120 1.0 0.86809 0.10426 0.33908 1.0000 + O O121 1.0 0.45142 0.60426 0.33908 1.0000 + O O122 1.0 0.49309 0.64592 0.33908 1.0000 + O O123 1.0 0.53475 0.68759 0.33908 1.0000 + O O124 1.0 0.57642 0.72926 0.33908 1.0000 + O O125 1.0 0.61809 0.77092 0.33908 1.0000 + O O126 1.0 0.65975 0.81259 0.33908 1.0000 + O O127 1.0 0.70142 0.85426 0.33908 1.0000 + O O128 1.0 0.74309 0.89592 0.33908 1.0000 + O O129 1.0 0.78475 0.93759 0.33908 1.0000 + O O130 1.0 0.82642 0.97926 0.33908 1.0000 + O O131 1.0 0.86809 0.02092 0.33908 1.0000 + O O132 1.0 0.90975 0.06259 0.33908 1.0000 + O O133 1.0 0.49309 0.56259 0.33908 1.0000 + O O134 1.0 0.53475 0.60426 0.33908 1.0000 + O O135 1.0 0.57642 0.64592 0.33908 1.0000 + O O136 1.0 0.61809 0.68759 0.33908 1.0000 + O O137 1.0 0.65975 0.72926 0.33908 1.0000 + O O138 1.0 0.70142 0.77092 0.33908 1.0000 + O O139 1.0 0.74309 0.81259 0.33908 1.0000 + O O140 1.0 0.78475 0.85426 0.33908 1.0000 + O O141 1.0 0.82642 0.89592 0.33908 1.0000 + O O142 1.0 0.86809 0.93759 0.33908 1.0000 + O O143 1.0 0.90975 0.97926 0.33908 1.0000 + O O144 1.0 0.95142 0.02092 0.33908 1.0000 + O O145 1.0 0.01383 0.00000 0.33908 1.0000 + O O146 1.0 0.05550 0.04167 0.33908 1.0000 + O O147 1.0 0.09716 0.08333 0.33908 1.0000 + O O148 1.0 0.13883 0.12500 0.33908 1.0000 + O O149 1.0 0.18050 0.16667 0.33908 1.0000 + O O150 1.0 0.22216 0.20833 0.33908 1.0000 + O O151 1.0 0.26383 0.25000 0.33908 1.0000 + O O152 1.0 0.30550 0.29167 0.33908 1.0000 + O O153 1.0 0.34716 0.33333 0.33908 1.0000 + O O154 1.0 0.38883 0.37500 0.33908 1.0000 + O O155 1.0 0.43050 0.41667 0.33908 1.0000 + O O156 1.0 0.47216 0.45833 0.33908 1.0000 + O O157 1.0 0.05550 0.95833 0.33908 1.0000 + O O158 1.0 0.09716 0.00000 0.33908 1.0000 + O O159 1.0 0.13883 0.04167 0.33908 1.0000 + O O160 1.0 0.18050 0.08333 0.33908 1.0000 + O O161 1.0 0.22216 0.12500 0.33908 1.0000 + O O162 1.0 0.26383 0.16667 0.33908 1.0000 + O O163 1.0 0.30550 0.20833 0.33908 1.0000 + O O164 1.0 0.34716 0.25000 0.33908 1.0000 + O O165 1.0 0.38883 0.29167 0.33908 1.0000 + O O166 1.0 0.43050 0.33333 0.33908 1.0000 + O O167 1.0 0.47216 0.37500 0.33908 1.0000 + O O168 1.0 0.51383 0.41667 0.33908 1.0000 + O O169 1.0 0.09716 0.91667 0.33908 1.0000 + O O170 1.0 0.13883 0.95833 0.33908 1.0000 + O O171 1.0 0.18050 0.00000 0.33908 1.0000 + O O172 1.0 0.22216 0.04167 0.33908 1.0000 + O O173 1.0 0.26383 0.08333 0.33908 1.0000 + O O174 1.0 0.30550 0.12500 0.33908 1.0000 + O O175 1.0 0.34716 0.16667 0.33908 1.0000 + O O176 1.0 0.38883 0.20833 0.33908 1.0000 + O O177 1.0 0.43050 0.25000 0.33908 1.0000 + O O178 1.0 0.47216 0.29167 0.33908 1.0000 + O O179 1.0 0.51383 0.33333 0.33908 1.0000 + O O180 1.0 0.55550 0.37500 0.33908 1.0000 + O O181 1.0 0.13883 0.87500 0.33908 1.0000 + O O182 1.0 0.18050 0.91667 0.33908 1.0000 + O O183 1.0 0.22216 0.95833 0.33908 1.0000 + O O184 1.0 0.26383 0.00000 0.33908 1.0000 + O O185 1.0 0.30550 0.04167 0.33908 1.0000 + O O186 1.0 0.34716 0.08333 0.33908 1.0000 + O O187 1.0 0.38883 0.12500 0.33908 1.0000 + O O188 1.0 0.43050 0.16667 0.33908 1.0000 + O O189 1.0 0.47216 0.20833 0.33908 1.0000 + O O190 1.0 0.51383 0.25000 0.33908 1.0000 + O O191 1.0 0.55550 0.29167 0.33908 1.0000 + O O192 1.0 0.59716 0.33333 0.33908 1.0000 + O O193 1.0 0.18050 0.83333 0.33908 1.0000 + O O194 1.0 0.22216 0.87500 0.33908 1.0000 + O O195 1.0 0.26383 0.91667 0.33908 1.0000 + O O196 1.0 0.30550 0.95833 0.33908 1.0000 + O O197 1.0 0.34716 0.00000 0.33908 1.0000 + O O198 1.0 0.38883 0.04167 0.33908 1.0000 + O O199 1.0 0.43050 0.08333 0.33908 1.0000 + O O200 1.0 0.47216 0.12500 0.33908 1.0000 + O O201 1.0 0.51383 0.16667 0.33908 1.0000 + O O202 1.0 0.55550 0.20833 0.33908 1.0000 + O O203 1.0 0.59716 0.25000 0.33908 1.0000 + O O204 1.0 0.63883 0.29167 0.33908 1.0000 + O O205 1.0 0.22216 0.79167 0.33908 1.0000 + O O206 1.0 0.26383 0.83333 0.33908 1.0000 + O O207 1.0 0.30550 0.87500 0.33908 1.0000 + O O208 1.0 0.34716 0.91667 0.33908 1.0000 + O O209 1.0 0.38883 0.95833 0.33908 1.0000 + O O210 1.0 0.43050 0.00000 0.33908 1.0000 + O O211 1.0 0.47216 0.04167 0.33908 1.0000 + O O212 1.0 0.51383 0.08333 0.33908 1.0000 + O O213 1.0 0.55550 0.12500 0.33908 1.0000 + O O214 1.0 0.59716 0.16667 0.33908 1.0000 + O O215 1.0 0.63883 0.20833 0.33908 1.0000 + O O216 1.0 0.68050 0.25000 0.33908 1.0000 + O O217 1.0 0.26383 0.75000 0.33908 1.0000 + O O218 1.0 0.30550 0.79167 0.33908 1.0000 + O O219 1.0 0.34716 0.83333 0.33908 1.0000 + O O220 1.0 0.38883 0.87500 0.33908 1.0000 + O O221 1.0 0.43050 0.91667 0.33908 1.0000 + O O222 1.0 0.47216 0.95833 0.33908 1.0000 + O O223 1.0 0.51383 1.00000 0.33908 1.0000 + O O224 1.0 0.55550 0.04167 0.33908 1.0000 + O O225 1.0 0.59716 0.08333 0.33908 1.0000 + O O226 1.0 0.63883 0.12500 0.33908 1.0000 + O O227 1.0 0.68050 0.16667 0.33908 1.0000 + O O228 1.0 0.72216 0.20833 0.33908 1.0000 + O O229 1.0 0.30550 0.70833 0.33908 1.0000 + O O230 1.0 0.34716 0.75000 0.33908 1.0000 + O O231 1.0 0.38883 0.79167 0.33908 1.0000 + O O232 1.0 0.43050 0.83333 0.33908 1.0000 + O O233 1.0 0.47216 0.87500 0.33908 1.0000 + O O234 1.0 0.51383 0.91667 0.33908 1.0000 + O O235 1.0 0.55550 0.95833 0.33908 1.0000 + O O236 1.0 0.59716 1.00000 0.33908 1.0000 + O O237 1.0 0.63883 0.04167 0.33908 1.0000 + O O238 1.0 0.68050 0.08333 0.33908 1.0000 + O O239 1.0 0.72216 0.12500 0.33908 1.0000 + O O240 1.0 0.76383 0.16667 0.33908 1.0000 + O O241 1.0 0.34716 0.66667 0.33908 1.0000 + O O242 1.0 0.38883 0.70833 0.33908 1.0000 + O O243 1.0 0.43050 0.75000 0.33908 1.0000 + O O244 1.0 0.47216 0.79167 0.33908 1.0000 + O O245 1.0 0.51383 0.83333 0.33908 1.0000 + O O246 1.0 0.55550 0.87500 0.33908 1.0000 + O O247 1.0 0.59716 0.91667 0.33908 1.0000 + O O248 1.0 0.63883 0.95833 0.33908 1.0000 + O O249 1.0 0.68050 0.00000 0.33908 1.0000 + O O250 1.0 0.72216 0.04167 0.33908 1.0000 + O O251 1.0 0.76383 0.08333 0.33908 1.0000 + O O252 1.0 0.80550 0.12500 0.33908 1.0000 + O O253 1.0 0.38883 0.62500 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0.81250 0.18750 0.50000 1.0000 + Co Co806 1.0 0.85417 0.22917 0.50000 1.0000 + Co Co807 1.0 0.89583 0.27083 0.50000 1.0000 + Co Co808 1.0 0.93750 0.31250 0.50000 1.0000 + Co Co809 1.0 0.97917 0.35417 0.50000 1.0000 + Co Co810 1.0 0.02083 0.39583 0.50000 1.0000 + Co Co811 1.0 0.06250 0.43750 0.50000 1.0000 + Co Co812 1.0 0.10417 0.47917 0.50000 1.0000 + Co Co813 1.0 0.14583 0.52083 0.50000 1.0000 + Co Co814 1.0 0.18750 0.56250 0.50000 1.0000 + Co Co815 1.0 0.22917 0.60417 0.50000 1.0000 + Co Co816 1.0 0.27083 0.64583 0.50000 1.0000 + Co Co817 1.0 0.85417 0.14583 0.50000 1.0000 + Co Co818 1.0 0.89583 0.18750 0.50000 1.0000 + Co Co819 1.0 0.93750 0.22917 0.50000 1.0000 + Co Co820 1.0 0.97917 0.27083 0.50000 1.0000 + Co Co821 1.0 0.02083 0.31250 0.50000 1.0000 + Co Co822 1.0 0.06250 0.35417 0.50000 1.0000 + Co Co823 1.0 0.10417 0.39583 0.50000 1.0000 + Co Co824 1.0 0.14583 0.43750 0.50000 1.0000 + Co Co825 1.0 0.18750 0.47917 0.50000 1.0000 + Co Co826 1.0 0.22917 0.52083 0.50000 1.0000 + Co Co827 1.0 0.27083 0.56250 0.50000 1.0000 + Co Co828 1.0 0.31250 0.60417 0.50000 1.0000 + Co Co829 1.0 0.89583 0.10417 0.50000 1.0000 + Co Co830 1.0 0.93750 0.14583 0.50000 1.0000 + Co Co831 1.0 0.97917 0.18750 0.50000 1.0000 + Co Co832 1.0 0.02083 0.22917 0.50000 1.0000 + Co Co833 1.0 0.06250 0.27083 0.50000 1.0000 + Co Co834 1.0 0.10417 0.31250 0.50000 1.0000 + Co Co835 1.0 0.14583 0.35417 0.50000 1.0000 + Co Co836 1.0 0.18750 0.39583 0.50000 1.0000 + Co Co837 1.0 0.22917 0.43750 0.50000 1.0000 + Co Co838 1.0 0.27083 0.47917 0.50000 1.0000 + Co Co839 1.0 0.31250 0.52083 0.50000 1.0000 + Co Co840 1.0 0.35417 0.56250 0.50000 1.0000 + Co Co841 1.0 0.93750 0.06250 0.50000 1.0000 + Co Co842 1.0 0.97917 0.10417 0.50000 1.0000 + Co Co843 1.0 0.02083 0.14583 0.50000 1.0000 + Co Co844 1.0 0.06250 0.18750 0.50000 1.0000 + Co Co845 1.0 0.10417 0.22917 0.50000 1.0000 + Co Co846 1.0 0.14583 0.27083 0.50000 1.0000 + Co Co847 1.0 0.18750 0.31250 0.50000 1.0000 + Co Co848 1.0 0.22917 0.35417 0.50000 1.0000 + Co Co849 1.0 0.27083 0.39583 0.50000 1.0000 + Co Co850 1.0 0.31250 0.43750 0.50000 1.0000 + Co Co851 1.0 0.35417 0.47917 0.50000 1.0000 + Co Co852 1.0 0.39583 0.52083 0.50000 1.0000 + Co Co853 1.0 0.97917 0.02083 0.50000 1.0000 + Co Co854 1.0 0.02083 0.06250 0.50000 1.0000 + Co Co855 1.0 0.06250 0.10417 0.50000 1.0000 + Co Co856 1.0 0.10417 0.14583 0.50000 1.0000 + Co Co857 1.0 0.14583 0.18750 0.50000 1.0000 + Co Co858 1.0 0.18750 0.22917 0.50000 1.0000 + Co Co859 1.0 0.22917 0.27083 0.50000 1.0000 + Co Co860 1.0 0.27083 0.31250 0.50000 1.0000 + Co Co861 1.0 0.31250 0.35417 0.50000 1.0000 + Co Co862 1.0 0.35417 0.39583 0.50000 1.0000 + Co Co863 1.0 0.39583 0.43750 0.50000 1.0000 + Co Co864 1.0 0.43750 0.47917 0.50000 1.0000 + Ni Ni145 1.0 0.50000 0.50000 0.50000 1.0000 + Ni Ni146 1.0 0.04167 0.04167 0.50000 1.0000 + Ni Ni147 1.0 0.08333 0.08333 0.50000 1.0000 + Ni Ni148 1.0 0.62500 0.62500 0.50000 1.0000 + Ni Ni149 1.0 0.66667 0.66667 0.50000 1.0000 + Ni Ni150 1.0 0.20833 0.20833 0.50000 1.0000 + Ni Ni151 1.0 0.75000 0.75000 0.50000 1.0000 + Ni Ni152 1.0 0.29167 0.29167 0.50000 1.0000 + Ni Ni153 1.0 0.33333 0.33333 0.50000 1.0000 + Ni Ni154 1.0 0.87500 0.87500 0.50000 1.0000 + Ni Ni155 1.0 0.91667 0.91667 0.50000 1.0000 + Ni Ni156 1.0 0.45833 0.45833 0.50000 1.0000 + Ni Ni157 1.0 0.54167 0.45833 0.50000 1.0000 + Ni Ni158 1.0 0.58333 0.50000 0.50000 1.0000 + Ni Ni159 1.0 0.62500 0.54167 0.50000 1.0000 + Ni Ni160 1.0 0.66667 0.58333 0.50000 1.0000 + Ni Ni161 1.0 0.70833 0.62500 0.50000 1.0000 + Ni Ni162 1.0 0.75000 0.66667 0.50000 1.0000 + Ni Ni163 1.0 0.79167 0.70833 0.50000 1.0000 + Ni Ni164 1.0 0.83333 0.75000 0.50000 1.0000 + Ni Ni165 1.0 0.87500 0.79167 0.50000 1.0000 + Ni Ni166 1.0 0.91667 0.83333 0.50000 1.0000 + Ni Ni167 1.0 0.95833 0.87500 0.50000 1.0000 + Ni Ni168 1.0 1.00000 0.91667 0.50000 1.0000 + Ni Ni169 1.0 0.58333 0.41667 0.50000 1.0000 + Ni Ni170 1.0 0.62500 0.45833 0.50000 1.0000 + Ni Ni171 1.0 0.66667 0.50000 0.50000 1.0000 + Ni Ni172 1.0 0.70833 0.54167 0.50000 1.0000 + Ni Ni173 1.0 0.75000 0.58333 0.50000 1.0000 + Ni Ni174 1.0 0.79167 0.62500 0.50000 1.0000 + Ni Ni175 1.0 0.83333 0.66667 0.50000 1.0000 + Ni Ni176 1.0 0.87500 0.70833 0.50000 1.0000 + Ni Ni177 1.0 0.91667 0.75000 0.50000 1.0000 + Ni Ni178 1.0 0.95833 0.79167 0.50000 1.0000 + Ni Ni179 1.0 0.00000 0.83333 0.50000 1.0000 + Ni Ni180 1.0 0.04167 0.87500 0.50000 1.0000 + Ni Ni181 1.0 0.62500 0.37500 0.50000 1.0000 + Ni Ni182 1.0 0.66667 0.41667 0.50000 1.0000 + Ni Ni183 1.0 0.70833 0.45833 0.50000 1.0000 + Ni Ni184 1.0 0.75000 0.50000 0.50000 1.0000 + Ni Ni185 1.0 0.79167 0.54167 0.50000 1.0000 + Ni Ni186 1.0 0.83333 0.58333 0.50000 1.0000 + Ni Ni187 1.0 0.87500 0.62500 0.50000 1.0000 + Ni Ni188 1.0 0.91667 0.66667 0.50000 1.0000 + Ni Ni189 1.0 0.95833 0.70833 0.50000 1.0000 + Ni Ni190 1.0 0.00000 0.75000 0.50000 1.0000 + Ni Ni191 1.0 0.04167 0.79167 0.50000 1.0000 + Ni Ni192 1.0 0.08333 0.83333 0.50000 1.0000 + Ni Ni193 1.0 0.66667 0.33333 0.50000 1.0000 + Ni Ni194 1.0 0.70833 0.37500 0.50000 1.0000 + Ni Ni195 1.0 0.75000 0.41667 0.50000 1.0000 + Ni Ni196 1.0 0.79167 0.45833 0.50000 1.0000 + Ni Ni197 1.0 0.83333 0.50000 0.50000 1.0000 + Ni Ni198 1.0 0.87500 0.54167 0.50000 1.0000 + Ni Ni199 1.0 0.91667 0.58333 0.50000 1.0000 + Ni Ni200 1.0 0.95833 0.62500 0.50000 1.0000 + Ni Ni201 1.0 0.00000 0.66667 0.50000 1.0000 + Ni Ni202 1.0 0.04167 0.70833 0.50000 1.0000 + Ni Ni203 1.0 0.08333 0.75000 0.50000 1.0000 + Ni Ni204 1.0 0.12500 0.79167 0.50000 1.0000 + Ni Ni205 1.0 0.70833 0.29167 0.50000 1.0000 + Ni Ni206 1.0 0.75000 0.33333 0.50000 1.0000 + Ni Ni207 1.0 0.79167 0.37500 0.50000 1.0000 + Ni Ni208 1.0 0.83333 0.41667 0.50000 1.0000 + Ni Ni209 1.0 0.87500 0.45833 0.50000 1.0000 + Ni Ni210 1.0 0.91667 0.50000 0.50000 1.0000 + Ni Ni211 1.0 0.95833 0.54167 0.50000 1.0000 + Ni Ni212 1.0 0.00000 0.58333 0.50000 1.0000 + Ni Ni213 1.0 0.04167 0.62500 0.50000 1.0000 + Ni Ni214 1.0 0.08333 0.66667 0.50000 1.0000 + Ni Ni215 1.0 0.12500 0.70833 0.50000 1.0000 + Ni Ni216 1.0 0.16667 0.75000 0.50000 1.0000 + Ni Ni217 1.0 0.75000 0.25000 0.50000 1.0000 + Ni Ni218 1.0 0.79167 0.29167 0.50000 1.0000 + Ni Ni219 1.0 0.83333 0.33333 0.50000 1.0000 + Ni Ni220 1.0 0.87500 0.37500 0.50000 1.0000 + Ni Ni221 1.0 0.91667 0.41667 0.50000 1.0000 + Ni Ni222 1.0 0.95833 0.45833 0.50000 1.0000 + Ni Ni223 1.0 0.00000 0.50000 0.50000 1.0000 + Ni Ni224 1.0 0.04167 0.54167 0.50000 1.0000 + Ni Ni225 1.0 0.08333 0.58333 0.50000 1.0000 + Ni Ni226 1.0 0.12500 0.62500 0.50000 1.0000 + Ni Ni227 1.0 0.16667 0.66667 0.50000 1.0000 + Ni Ni228 1.0 0.20833 0.70833 0.50000 1.0000 + Ni Ni229 1.0 0.79167 0.20833 0.50000 1.0000 + Ni Ni230 1.0 0.83333 0.25000 0.50000 1.0000 + Ni Ni231 1.0 0.87500 0.29167 0.50000 1.0000 + Ni Ni232 1.0 0.91667 0.33333 0.50000 1.0000 + Ni Ni233 1.0 0.95833 0.37500 0.50000 1.0000 + Ni Ni234 1.0 0.00000 0.41667 0.50000 1.0000 + Ni Ni235 1.0 0.04167 0.45833 0.50000 1.0000 + Ni Ni236 1.0 0.08333 0.50000 0.50000 1.0000 + Ni Ni237 1.0 0.12500 0.54167 0.50000 1.0000 + Ni Ni238 1.0 0.16667 0.58333 0.50000 1.0000 + Ni Ni239 1.0 0.20833 0.62500 0.50000 1.0000 + Ni Ni240 1.0 0.25000 0.66667 0.50000 1.0000 + Ni Ni241 1.0 0.83333 0.16667 0.50000 1.0000 + Ni Ni242 1.0 0.87500 0.20833 0.50000 1.0000 + Ni Ni243 1.0 0.91667 0.25000 0.50000 1.0000 + Ni Ni244 1.0 0.95833 0.29167 0.50000 1.0000 + Ni Ni245 1.0 1.00000 0.33333 0.50000 1.0000 + Ni Ni246 1.0 0.04167 0.37500 0.50000 1.0000 + Ni Ni247 1.0 0.08333 0.41667 0.50000 1.0000 + Ni Ni248 1.0 0.12500 0.45833 0.50000 1.0000 + Ni Ni249 1.0 0.16667 0.50000 0.50000 1.0000 + Ni Ni250 1.0 0.20833 0.54167 0.50000 1.0000 + Ni Ni251 1.0 0.25000 0.58333 0.50000 1.0000 + Ni Ni252 1.0 0.29167 0.62500 0.50000 1.0000 + Ni Ni253 1.0 0.87500 0.12500 0.50000 1.0000 + Ni Ni254 1.0 0.91667 0.16667 0.50000 1.0000 + Ni Ni255 1.0 0.95833 0.20833 0.50000 1.0000 + Ni Ni256 1.0 0.00000 0.25000 0.50000 1.0000 + Ni Ni257 1.0 0.04167 0.29167 0.50000 1.0000 + Ni Ni258 1.0 0.08333 0.33333 0.50000 1.0000 + Ni Ni259 1.0 0.12500 0.37500 0.50000 1.0000 + Ni Ni260 1.0 0.16667 0.41667 0.50000 1.0000 + Ni Ni261 1.0 0.20833 0.45833 0.50000 1.0000 + Ni Ni262 1.0 0.25000 0.50000 0.50000 1.0000 + Ni Ni263 1.0 0.29167 0.54167 0.50000 1.0000 + Ni Ni264 1.0 0.33333 0.58333 0.50000 1.0000 + Ni Ni265 1.0 0.91667 0.08333 0.50000 1.0000 + Ni Ni266 1.0 0.95833 0.12500 0.50000 1.0000 + Ni Ni267 1.0 0.00000 0.16667 0.50000 1.0000 + Ni Ni268 1.0 0.04167 0.20833 0.50000 1.0000 + Ni Ni269 1.0 0.08333 0.25000 0.50000 1.0000 + Ni Ni270 1.0 0.12500 0.29167 0.50000 1.0000 + Ni Ni271 1.0 0.16667 0.33333 0.50000 1.0000 + Ni Ni272 1.0 0.20833 0.37500 0.50000 1.0000 + Ni Ni273 1.0 0.25000 0.41667 0.50000 1.0000 + Ni Ni274 1.0 0.29167 0.45833 0.50000 1.0000 + Ni Ni275 1.0 0.33333 0.50000 0.50000 1.0000 + Ni Ni276 1.0 0.37500 0.54167 0.50000 1.0000 + Ni Ni277 1.0 0.95833 0.04167 0.50000 1.0000 + Ni Ni278 1.0 0.00000 0.08333 0.50000 1.0000 + Ni Ni279 1.0 0.04167 0.12500 0.50000 1.0000 + Ni Ni280 1.0 0.08333 0.16667 0.50000 1.0000 + Ni Ni281 1.0 0.12500 0.20833 0.50000 1.0000 + Ni Ni282 1.0 0.16667 0.25000 0.50000 1.0000 + Ni Ni283 1.0 0.20833 0.29167 0.50000 1.0000 + Ni Ni284 1.0 0.25000 0.33333 0.50000 1.0000 + Ni Ni285 1.0 0.29167 0.37500 0.50000 1.0000 + Ni Ni286 1.0 0.33333 0.41667 0.50000 1.0000 + Ni Ni287 1.0 0.37500 0.45833 0.50000 1.0000 + Ni Ni288 1.0 0.41667 0.50000 0.50000 1.0000 + O O1153 1.0 0.53475 0.52092 0.33908 1.0000 + O O1154 1.0 0.57642 0.56259 0.33908 1.0000 + O O1155 1.0 0.61809 0.60426 0.33908 1.0000 + O O1156 1.0 0.65975 0.64592 0.33908 1.0000 + O O1157 1.0 0.70142 0.68759 0.33908 1.0000 + O O1158 1.0 0.74309 0.72926 0.33908 1.0000 + O O1159 1.0 0.78475 0.77092 0.33908 1.0000 + O O1160 1.0 0.82642 0.81259 0.33908 1.0000 + O O1161 1.0 0.86809 0.85426 0.33908 1.0000 + O O1162 1.0 0.90975 0.89592 0.33908 1.0000 + O O1163 1.0 0.95142 0.93759 0.33908 1.0000 + O O1164 1.0 0.99309 0.97926 0.33908 1.0000 + O O1165 1.0 0.57642 0.47926 0.33908 1.0000 + O O1166 1.0 0.61809 0.52092 0.33908 1.0000 + O O1167 1.0 0.65975 0.56259 0.33908 1.0000 + O O1168 1.0 0.70142 0.60426 0.33908 1.0000 + O O1169 1.0 0.74309 0.64592 0.33908 1.0000 + O O1170 1.0 0.78475 0.68759 0.33908 1.0000 + O O1171 1.0 0.82642 0.72926 0.33908 1.0000 + O O1172 1.0 0.86809 0.77092 0.33908 1.0000 + O O1173 1.0 0.90975 0.81259 0.33908 1.0000 + O O1174 1.0 0.95142 0.85426 0.33908 1.0000 + O O1175 1.0 0.99309 0.89592 0.33908 1.0000 + O O1176 1.0 0.03475 0.93759 0.33908 1.0000 + O O1177 1.0 0.61809 0.43759 0.33908 1.0000 + O O1178 1.0 0.65975 0.47926 0.33908 1.0000 + O O1179 1.0 0.70142 0.52092 0.33908 1.0000 + O O1180 1.0 0.74309 0.56259 0.33908 1.0000 + O O1181 1.0 0.78475 0.60426 0.33908 1.0000 + O O1182 1.0 0.82642 0.64592 0.33908 1.0000 + O O1183 1.0 0.86809 0.68759 0.33908 1.0000 + O O1184 1.0 0.90975 0.72926 0.33908 1.0000 + O O1185 1.0 0.95142 0.77092 0.33908 1.0000 + O O1186 1.0 0.99309 0.81259 0.33908 1.0000 + O O1187 1.0 0.03475 0.85426 0.33908 1.0000 + O O1188 1.0 0.07642 0.89592 0.33908 1.0000 + O O1189 1.0 0.65975 0.39592 0.33908 1.0000 + O O1190 1.0 0.70142 0.43759 0.33908 1.0000 + O O1191 1.0 0.74309 0.47926 0.33908 1.0000 + O O1192 1.0 0.78475 0.52092 0.33908 1.0000 + O O1193 1.0 0.82642 0.56259 0.33908 1.0000 + O O1194 1.0 0.86809 0.60426 0.33908 1.0000 + O O1195 1.0 0.90975 0.64592 0.33908 1.0000 + O O1196 1.0 0.95142 0.68759 0.33908 1.0000 + O O1197 1.0 0.99309 0.72926 0.33908 1.0000 + O O1198 1.0 0.03475 0.77092 0.33908 1.0000 + O O1199 1.0 0.07642 0.81259 0.33908 1.0000 + O O1200 1.0 0.11809 0.85426 0.33908 1.0000 + O O1201 1.0 0.70142 0.35426 0.33908 1.0000 + O O1202 1.0 0.74309 0.39592 0.33908 1.0000 + O O1203 1.0 0.78475 0.43759 0.33908 1.0000 + O O1204 1.0 0.82642 0.47926 0.33908 1.0000 + O O1205 1.0 0.86809 0.52092 0.33908 1.0000 + O O1206 1.0 0.90975 0.56259 0.33908 1.0000 + O O1207 1.0 0.95142 0.60426 0.33908 1.0000 + O O1208 1.0 0.99309 0.64592 0.33908 1.0000 + O O1209 1.0 0.03475 0.68759 0.33908 1.0000 + O O1210 1.0 0.07642 0.72926 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1.0000 + Sb Sb1283 1.0 0.45296 0.57862 0.50000 1.0000 + Sb Sb1284 1.0 0.42171 0.60987 0.50000 1.0000 + Sb Sb1285 1.0 0.39046 0.64112 0.50000 1.0000 + Sb Sb1286 1.0 0.35921 0.67237 0.50000 1.0000 + Sb Sb1287 1.0 0.32796 0.70362 0.50000 1.0000 + Sb Sb1288 1.0 0.29671 0.73487 0.50000 1.0000 + Sb Sb1289 1.0 0.26546 0.76612 0.50000 1.0000 + Sb Sb1290 1.0 0.23421 0.79737 0.50000 1.0000 + Sb Sb1291 1.0 0.20296 0.82862 0.50000 1.0000 + Sb Sb1292 1.0 0.17171 0.85987 0.50000 1.0000 + Sb Sb1293 1.0 0.14046 0.89112 0.50000 1.0000 + Sb Sb1294 1.0 0.10921 0.92237 0.50000 1.0000 + Sb Sb1295 1.0 0.07796 0.95362 0.50000 1.0000 + Sb Sb1296 1.0 0.04671 0.98487 0.50000 1.0000 + Sb Sb1297 1.0 0.54671 0.54737 0.50000 1.0000 + Sb Sb1298 1.0 0.51546 0.57862 0.50000 1.0000 + Sb Sb1299 1.0 0.48421 0.60987 0.50000 1.0000 + Sb Sb1300 1.0 0.45296 0.64112 0.50000 1.0000 + Sb Sb1301 1.0 0.42171 0.67237 0.50000 1.0000 + Sb Sb1302 1.0 0.39046 0.70362 0.50000 1.0000 + Sb Sb1303 1.0 0.35921 0.73487 0.50000 1.0000 + Sb Sb1304 1.0 0.32796 0.76612 0.50000 1.0000 + Sb Sb1305 1.0 0.29671 0.79737 0.50000 1.0000 + Sb Sb1306 1.0 0.26546 0.82862 0.50000 1.0000 + Sb Sb1307 1.0 0.23421 0.85987 0.50000 1.0000 + Sb Sb1308 1.0 0.20296 0.89112 0.50000 1.0000 + Sb Sb1309 1.0 0.17171 0.92237 0.50000 1.0000 + Sb Sb1310 1.0 0.14046 0.95362 0.50000 1.0000 + Sb Sb1311 1.0 0.10921 0.98487 0.50000 1.0000 + Sb Sb1312 1.0 0.07796 0.01612 0.50000 1.0000 + Sb Sb1313 1.0 0.57796 0.57862 0.50000 1.0000 + Sb Sb1314 1.0 0.54671 0.60987 0.50000 1.0000 + Sb Sb1315 1.0 0.51546 0.64112 0.50000 1.0000 + Sb Sb1316 1.0 0.48421 0.67237 0.50000 1.0000 + Sb Sb1317 1.0 0.45296 0.70362 0.50000 1.0000 + Sb Sb1318 1.0 0.42171 0.73487 0.50000 1.0000 + Sb Sb1319 1.0 0.39046 0.76612 0.50000 1.0000 + Sb Sb1320 1.0 0.35921 0.79737 0.50000 1.0000 + Sb Sb1321 1.0 0.32796 0.82862 0.50000 1.0000 + Sb Sb1322 1.0 0.29671 0.85987 0.50000 1.0000 + Sb Sb1323 1.0 0.26546 0.89112 0.50000 1.0000 + Sb Sb1324 1.0 0.23421 0.92237 0.50000 1.0000 + Sb Sb1325 1.0 0.20296 0.95362 0.50000 1.0000 + Sb Sb1326 1.0 0.17171 0.98487 0.50000 1.0000 + Sb Sb1327 1.0 0.14046 0.01612 0.50000 1.0000 + Sb Sb1328 1.0 0.10921 0.04737 0.50000 1.0000 + Sb Sb1329 1.0 0.60921 0.60987 0.50000 1.0000 + Sb Sb1330 1.0 0.57796 0.64112 0.50000 1.0000 + Sb Sb1331 1.0 0.54671 0.67237 0.50000 1.0000 + Sb Sb1332 1.0 0.51546 0.70362 0.50000 1.0000 + Sb Sb1333 1.0 0.48421 0.73487 0.50000 1.0000 + Sb Sb1334 1.0 0.45296 0.76612 0.50000 1.0000 + Sb Sb1335 1.0 0.42171 0.79737 0.50000 1.0000 + Sb Sb1336 1.0 0.39046 0.82862 0.50000 1.0000 + Sb Sb1337 1.0 0.35921 0.85987 0.50000 1.0000 + Sb Sb1338 1.0 0.32796 0.89112 0.50000 1.0000 + Sb Sb1339 1.0 0.29671 0.92237 0.50000 1.0000 + Sb Sb1340 1.0 0.26546 0.95362 0.50000 1.0000 + Sb Sb1341 1.0 0.23421 0.98487 0.50000 1.0000 + Sb Sb1342 1.0 0.20296 0.01612 0.50000 1.0000 + Sb Sb1343 1.0 0.17171 0.04737 0.50000 1.0000 + Sb Sb1344 1.0 0.14046 0.07862 0.50000 1.0000 + Sb Sb1345 1.0 0.64046 0.64112 0.50000 1.0000 + Sb Sb1346 1.0 0.60921 0.67237 0.50000 1.0000 + Sb Sb1347 1.0 0.57796 0.70362 0.50000 1.0000 + Sb Sb1348 1.0 0.54671 0.73487 0.50000 1.0000 + Sb Sb1349 1.0 0.51546 0.76612 0.50000 1.0000 + Sb Sb1350 1.0 0.48421 0.79737 0.50000 1.0000 + Sb Sb1351 1.0 0.45296 0.82862 0.50000 1.0000 + Sb Sb1352 1.0 0.42171 0.85987 0.50000 1.0000 + Sb Sb1353 1.0 0.39046 0.89112 0.50000 1.0000 + Sb Sb1354 1.0 0.35921 0.92237 0.50000 1.0000 + Sb Sb1355 1.0 0.32796 0.95362 0.50000 1.0000 + Sb Sb1356 1.0 0.29671 0.98487 0.50000 1.0000 + Sb Sb1357 1.0 0.26546 0.01612 0.50000 1.0000 + Sb Sb1358 1.0 0.23421 0.04737 0.50000 1.0000 + Sb Sb1359 1.0 0.20296 0.07862 0.50000 1.0000 + Sb Sb1360 1.0 0.17171 0.10987 0.50000 1.0000 + Sb Sb1361 1.0 0.67171 0.67237 0.50000 1.0000 + Sb Sb1362 1.0 0.64046 0.70362 0.50000 1.0000 + Sb Sb1363 1.0 0.60921 0.73487 0.50000 1.0000 + Sb Sb1364 1.0 0.57796 0.76612 0.50000 1.0000 + Sb Sb1365 1.0 0.54671 0.79737 0.50000 1.0000 + Sb Sb1366 1.0 0.51546 0.82862 0.50000 1.0000 + Sb Sb1367 1.0 0.48421 0.85987 0.50000 1.0000 + Sb Sb1368 1.0 0.45296 0.89112 0.50000 1.0000 + Sb Sb1369 1.0 0.42171 0.92237 0.50000 1.0000 + Sb Sb1370 1.0 0.39046 0.95362 0.50000 1.0000 + Sb Sb1371 1.0 0.35921 0.98487 0.50000 1.0000 + Sb Sb1372 1.0 0.32796 0.01612 0.50000 1.0000 + Sb Sb1373 1.0 0.29671 0.04737 0.50000 1.0000 + Sb Sb1374 1.0 0.26546 0.07862 0.50000 1.0000 + Sb Sb1375 1.0 0.23421 0.10987 0.50000 1.0000 + Sb Sb1376 1.0 0.20296 0.14112 0.50000 1.0000 + Sb Sb1377 1.0 0.70296 0.70362 0.50000 1.0000 + Sb Sb1378 1.0 0.67171 0.73487 0.50000 1.0000 + Sb Sb1379 1.0 0.64046 0.76612 0.50000 1.0000 + Sb Sb1380 1.0 0.60921 0.79737 0.50000 1.0000 + Sb Sb1381 1.0 0.57796 0.82862 0.50000 1.0000 + Sb Sb1382 1.0 0.54671 0.85987 0.50000 1.0000 + Sb Sb1383 1.0 0.51546 0.89112 0.50000 1.0000 + Sb Sb1384 1.0 0.48421 0.92237 0.50000 1.0000 + Sb Sb1385 1.0 0.45296 0.95362 0.50000 1.0000 + Sb Sb1386 1.0 0.42171 0.98487 0.50000 1.0000 + Sb Sb1387 1.0 0.39046 0.01612 0.50000 1.0000 + Sb Sb1388 1.0 0.35921 0.04737 0.50000 1.0000 + Sb Sb1389 1.0 0.32796 0.07862 0.50000 1.0000 + Sb Sb1390 1.0 0.29671 0.10987 0.50000 1.0000 + Sb Sb1391 1.0 0.26546 0.14112 0.50000 1.0000 + Sb Sb1392 1.0 0.23421 0.17237 0.50000 1.0000 + Sb Sb1393 1.0 0.73421 0.73487 0.50000 1.0000 + Sb Sb1394 1.0 0.70296 0.76612 0.50000 1.0000 + Sb Sb1395 1.0 0.67171 0.79737 0.50000 1.0000 + Sb Sb1396 1.0 0.64046 0.82862 0.50000 1.0000 + Sb Sb1397 1.0 0.60921 0.85987 0.50000 1.0000 + Sb Sb1398 1.0 0.57796 0.89112 0.50000 1.0000 + Sb Sb1399 1.0 0.54671 0.92237 0.50000 1.0000 + Sb Sb1400 1.0 0.51546 0.95362 0.50000 1.0000 + Sb Sb1401 1.0 0.48421 0.98487 0.50000 1.0000 + Sb Sb1402 1.0 0.45296 0.01612 0.50000 1.0000 + Sb Sb1403 1.0 0.42171 0.04737 0.50000 1.0000 + Sb Sb1404 1.0 0.39046 0.07862 0.50000 1.0000 + Sb Sb1405 1.0 0.35921 0.10987 0.50000 1.0000 + Sb Sb1406 1.0 0.32796 0.14112 0.50000 1.0000 + Sb Sb1407 1.0 0.29671 0.17237 0.50000 1.0000 + Sb Sb1408 1.0 0.26546 0.20362 0.50000 1.0000 + Sb Sb1409 1.0 0.76546 0.76612 0.50000 1.0000 + Sb Sb1410 1.0 0.73421 0.79737 0.50000 1.0000 + Sb Sb1411 1.0 0.70296 0.82862 0.50000 1.0000 + Sb Sb1412 1.0 0.67171 0.85987 0.50000 1.0000 + Sb Sb1413 1.0 0.64046 0.89112 0.50000 1.0000 + Sb Sb1414 1.0 0.60921 0.92237 0.50000 1.0000 + Sb Sb1415 1.0 0.57796 0.95362 0.50000 1.0000 + Sb Sb1416 1.0 0.54671 0.98487 0.50000 1.0000 + Sb Sb1417 1.0 0.51546 0.01612 0.50000 1.0000 + Sb Sb1418 1.0 0.48421 0.04737 0.50000 1.0000 + Sb Sb1419 1.0 0.45296 0.07862 0.50000 1.0000 + Sb Sb1420 1.0 0.42171 0.10987 0.50000 1.0000 + Sb Sb1421 1.0 0.39046 0.14112 0.50000 1.0000 + Sb Sb1422 1.0 0.35921 0.17237 0.50000 1.0000 + Sb Sb1423 1.0 0.32796 0.20362 0.50000 1.0000 + Sb Sb1424 1.0 0.29671 0.23487 0.50000 1.0000 + Sb Sb1425 1.0 0.79671 0.79737 0.50000 1.0000 + Sb Sb1426 1.0 0.76546 0.82862 0.50000 1.0000 + Sb Sb1427 1.0 0.73421 0.85987 0.50000 1.0000 + Sb Sb1428 1.0 0.70296 0.89112 0.50000 1.0000 + Sb Sb1429 1.0 0.67171 0.92237 0.50000 1.0000 + Sb Sb1430 1.0 0.64046 0.95362 0.50000 1.0000 + Sb Sb1431 1.0 0.60921 0.98487 0.50000 1.0000 + Sb Sb1432 1.0 0.57796 0.01612 0.50000 1.0000 + Sb Sb1433 1.0 0.54671 0.04737 0.50000 1.0000 + Sb Sb1434 1.0 0.51546 0.07862 0.50000 1.0000 + Sb Sb1435 1.0 0.48421 0.10987 0.50000 1.0000 + Sb Sb1436 1.0 0.45296 0.14112 0.50000 1.0000 + Sb Sb1437 1.0 0.42171 0.17237 0.50000 1.0000 + Sb Sb1438 1.0 0.39046 0.20362 0.50000 1.0000 + Sb Sb1439 1.0 0.35921 0.23487 0.50000 1.0000 + Sb Sb1440 1.0 0.32796 0.26612 0.50000 1.0000 + Sb Sb1441 1.0 0.82796 0.82862 0.50000 1.0000 + Sb Sb1442 1.0 0.79671 0.85987 0.50000 1.0000 + Sb Sb1443 1.0 0.76546 0.89112 0.50000 1.0000 + Sb Sb1444 1.0 0.73421 0.92237 0.50000 1.0000 + Sb Sb1445 1.0 0.70296 0.95362 0.50000 1.0000 + Sb Sb1446 1.0 0.67171 0.98487 0.50000 1.0000 + Sb Sb1447 1.0 0.64046 0.01612 0.50000 1.0000 + Sb Sb1448 1.0 0.60921 0.04737 0.50000 1.0000 + Sb Sb1449 1.0 0.57796 0.07862 0.50000 1.0000 + Sb Sb1450 1.0 0.54671 0.10987 0.50000 1.0000 + Sb Sb1451 1.0 0.51546 0.14112 0.50000 1.0000 + Sb Sb1452 1.0 0.48421 0.17237 0.50000 1.0000 + Sb Sb1453 1.0 0.45296 0.20362 0.50000 1.0000 + Sb Sb1454 1.0 0.42171 0.23487 0.50000 1.0000 + Sb Sb1455 1.0 0.39046 0.26612 0.50000 1.0000 + Sb Sb1456 1.0 0.35921 0.29737 0.50000 1.0000 + Sb Sb1457 1.0 0.85921 0.85987 0.50000 1.0000 + Sb Sb1458 1.0 0.82796 0.89112 0.50000 1.0000 + Sb Sb1459 1.0 0.79671 0.92237 0.50000 1.0000 + Sb Sb1460 1.0 0.76546 0.95362 0.50000 1.0000 + Sb Sb1461 1.0 0.73421 0.98487 0.50000 1.0000 + Sb Sb1462 1.0 0.70296 0.01612 0.50000 1.0000 + Sb Sb1463 1.0 0.67171 0.04737 0.50000 1.0000 + Sb Sb1464 1.0 0.64046 0.07862 0.50000 1.0000 + Sb Sb1465 1.0 0.60921 0.10987 0.50000 1.0000 + Sb Sb1466 1.0 0.57796 0.14112 0.50000 1.0000 + Sb Sb1467 1.0 0.54671 0.17237 0.50000 1.0000 + Sb Sb1468 1.0 0.51546 0.20362 0.50000 1.0000 + Sb Sb1469 1.0 0.48421 0.23487 0.50000 1.0000 + Sb Sb1470 1.0 0.45296 0.26612 0.50000 1.0000 + Sb Sb1471 1.0 0.42171 0.29737 0.50000 1.0000 + Sb Sb1472 1.0 0.39046 0.32862 0.50000 1.0000 + Sb Sb1473 1.0 0.89046 0.89112 0.50000 1.0000 + Sb Sb1474 1.0 0.85921 0.92237 0.50000 1.0000 + Sb Sb1475 1.0 0.82796 0.95362 0.50000 1.0000 + Sb Sb1476 1.0 0.79671 0.98487 0.50000 1.0000 + Sb Sb1477 1.0 0.76546 0.01612 0.50000 1.0000 + Sb Sb1478 1.0 0.73421 0.04737 0.50000 1.0000 + Sb Sb1479 1.0 0.70296 0.07862 0.50000 1.0000 + Sb Sb1480 1.0 0.67171 0.10987 0.50000 1.0000 + Sb Sb1481 1.0 0.64046 0.14112 0.50000 1.0000 + Sb Sb1482 1.0 0.60921 0.17237 0.50000 1.0000 + Sb Sb1483 1.0 0.57796 0.20362 0.50000 1.0000 + Sb Sb1484 1.0 0.54671 0.23487 0.50000 1.0000 + Sb Sb1485 1.0 0.51546 0.26612 0.50000 1.0000 + Sb Sb1486 1.0 0.48421 0.29737 0.50000 1.0000 + Sb Sb1487 1.0 0.45296 0.32862 0.50000 1.0000 + Sb Sb1488 1.0 0.42171 0.35987 0.50000 1.0000 + Sb Sb1489 1.0 0.92171 0.92237 0.50000 1.0000 + Sb Sb1490 1.0 0.89046 0.95362 0.50000 1.0000 + Sb Sb1491 1.0 0.85921 0.98487 0.50000 1.0000 + Sb Sb1492 1.0 0.82796 0.01612 0.50000 1.0000 + Sb Sb1493 1.0 0.79671 0.04737 0.50000 1.0000 + Sb Sb1494 1.0 0.76546 0.07862 0.50000 1.0000 + Sb Sb1495 1.0 0.73421 0.10987 0.50000 1.0000 + Sb Sb1496 1.0 0.70296 0.14112 0.50000 1.0000 + Sb Sb1497 1.0 0.67171 0.17237 0.50000 1.0000 + Sb Sb1498 1.0 0.64046 0.20362 0.50000 1.0000 + Sb Sb1499 1.0 0.60921 0.23487 0.50000 1.0000 + Sb Sb1500 1.0 0.57796 0.26612 0.50000 1.0000 + Sb Sb1501 1.0 0.54671 0.29737 0.50000 1.0000 + Sb Sb1502 1.0 0.51546 0.32862 0.50000 1.0000 + Sb Sb1503 1.0 0.48421 0.35987 0.50000 1.0000 + Sb Sb1504 1.0 0.45296 0.39112 0.50000 1.0000 + Sb Sb1505 1.0 0.95296 0.95362 0.50000 1.0000 + Sb Sb1506 1.0 0.92171 0.98487 0.50000 1.0000 + Sb Sb1507 1.0 0.89046 0.01612 0.50000 1.0000 + Sb Sb1508 1.0 0.85921 0.04737 0.50000 1.0000 + Sb Sb1509 1.0 0.82796 0.07862 0.50000 1.0000 + Sb Sb1510 1.0 0.79671 0.10987 0.50000 1.0000 + Sb Sb1511 1.0 0.76546 0.14112 0.50000 1.0000 + Sb Sb1512 1.0 0.73421 0.17237 0.50000 1.0000 + Sb Sb1513 1.0 0.70296 0.20362 0.50000 1.0000 + Sb Sb1514 1.0 0.67171 0.23487 0.50000 1.0000 + Sb Sb1515 1.0 0.64046 0.26612 0.50000 1.0000 + Sb Sb1516 1.0 0.60921 0.29737 0.50000 1.0000 + Sb Sb1517 1.0 0.57796 0.32862 0.50000 1.0000 + Sb Sb1518 1.0 0.54671 0.35987 0.50000 1.0000 + Sb Sb1519 1.0 0.51546 0.39112 0.50000 1.0000 + Sb Sb1520 1.0 0.48421 0.42237 0.50000 1.0000 + Sb Sb1521 1.0 0.98421 0.98487 0.50000 1.0000 + Sb Sb1522 1.0 0.95296 0.01612 0.50000 1.0000 + Sb Sb1523 1.0 0.92171 0.04737 0.50000 1.0000 + Sb Sb1524 1.0 0.89046 0.07862 0.50000 1.0000 + Sb Sb1525 1.0 0.85921 0.10987 0.50000 1.0000 + Sb Sb1526 1.0 0.82796 0.14112 0.50000 1.0000 + Sb Sb1527 1.0 0.79671 0.17237 0.50000 1.0000 + Sb Sb1528 1.0 0.76546 0.20362 0.50000 1.0000 + Sb Sb1529 1.0 0.73421 0.23487 0.50000 1.0000 + Sb Sb1530 1.0 0.70296 0.26612 0.50000 1.0000 + Sb Sb1531 1.0 0.67171 0.29737 0.50000 1.0000 + Sb Sb1532 1.0 0.64046 0.32862 0.50000 1.0000 + Sb Sb1533 1.0 0.60921 0.35987 0.50000 1.0000 + Sb Sb1534 1.0 0.57796 0.39112 0.50000 1.0000 + Sb Sb1535 1.0 0.54671 0.42237 0.50000 1.0000 + Sb Sb1536 1.0 0.51546 0.45362 0.50000 1.0000 + Pb Pb257 1.0 0.50000 0.50000 0.50000 1.0000 + Pb Pb258 1.0 0.46875 0.53125 0.50000 1.0000 + Pb Pb259 1.0 0.43750 0.56250 0.50000 1.0000 + Pb Pb260 1.0 0.40625 0.59375 0.50000 1.0000 + Pb Pb261 1.0 0.37500 0.62500 0.50000 1.0000 + Pb Pb262 1.0 0.34375 0.65625 0.50000 1.0000 + Pb Pb263 1.0 0.31250 0.68750 0.50000 1.0000 + Pb Pb264 1.0 0.28125 0.71875 0.50000 1.0000 + Pb Pb265 1.0 0.25000 0.75000 0.50000 1.0000 + Pb Pb266 1.0 0.21875 0.78125 0.50000 1.0000 + Pb Pb267 1.0 0.18750 0.81250 0.50000 1.0000 + Pb Pb268 1.0 0.15625 0.84375 0.50000 1.0000 + Pb Pb269 1.0 0.12500 0.87500 0.50000 1.0000 + Pb Pb270 1.0 0.59375 0.40625 0.50000 1.0000 + Pb Pb271 1.0 0.06250 0.93750 0.50000 1.0000 + Pb Pb272 1.0 0.53125 0.46875 0.50000 1.0000 + Pb Pb273 1.0 0.53125 0.53125 0.50000 1.0000 + Pb Pb274 1.0 0.50000 0.56250 0.50000 1.0000 + Pb Pb275 1.0 0.46875 0.59375 0.50000 1.0000 + Pb Pb276 1.0 0.43750 0.62500 0.50000 1.0000 + Pb Pb277 1.0 0.40625 0.65625 0.50000 1.0000 + Pb Pb278 1.0 0.37500 0.68750 0.50000 1.0000 + 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O O976 1.0 0.76761 0.97916 0.66386 1.0000 + O O977 1.0 0.83011 0.04166 0.66386 1.0000 + O O978 1.0 0.83011 0.10416 0.66386 1.0000 + O O979 1.0 0.83011 0.16666 0.66386 1.0000 + O O980 1.0 0.83011 0.22916 0.66386 1.0000 + O O981 1.0 0.83011 0.29166 0.66386 1.0000 + O O982 1.0 0.83011 0.35416 0.66386 1.0000 + O O983 1.0 0.83011 0.41666 0.66386 1.0000 + O O984 1.0 0.83011 0.47916 0.66386 1.0000 + O O985 1.0 0.83011 0.54166 0.66386 1.0000 + O O986 1.0 0.83011 0.60416 0.66386 1.0000 + O O987 1.0 0.83011 0.66666 0.66386 1.0000 + O O988 1.0 0.83011 0.72916 0.66386 1.0000 + O O989 1.0 0.83011 0.79166 0.66386 1.0000 + O O990 1.0 0.83011 0.85416 0.66386 1.0000 + O O991 1.0 0.83011 0.91666 0.66386 1.0000 + O O992 1.0 0.83011 0.97916 0.66386 1.0000 + O O993 1.0 0.89261 0.04166 0.66386 1.0000 + O O994 1.0 0.89261 0.10416 0.66386 1.0000 + O O995 1.0 0.89261 0.16666 0.66386 1.0000 + O O996 1.0 0.89261 0.22916 0.66386 1.0000 + O O997 1.0 0.89261 0.29166 0.66386 1.0000 + O O998 1.0 0.89261 0.35416 0.66386 1.0000 + O O999 1.0 0.89261 0.41666 0.66386 1.0000 + O O1000 1.0 0.89261 0.47916 0.66386 1.0000 + O O1001 1.0 0.89261 0.54166 0.66386 1.0000 + O O1002 1.0 0.89261 0.60416 0.66386 1.0000 + O O1003 1.0 0.89261 0.66666 0.66386 1.0000 + O O1004 1.0 0.89261 0.72916 0.66386 1.0000 + O O1005 1.0 0.89261 0.79166 0.66386 1.0000 + O O1006 1.0 0.89261 0.85416 0.66386 1.0000 + O O1007 1.0 0.89261 0.91666 0.66386 1.0000 + O O1008 1.0 0.89261 0.97916 0.66386 1.0000 + O O1009 1.0 0.95511 0.04166 0.66386 1.0000 + O O1010 1.0 0.95511 0.10416 0.66386 1.0000 + O O1011 1.0 0.95511 0.16666 0.66386 1.0000 + O O1012 1.0 0.95511 0.22916 0.66386 1.0000 + O O1013 1.0 0.95511 0.29166 0.66386 1.0000 + O O1014 1.0 0.95511 0.35416 0.66386 1.0000 + O O1015 1.0 0.95511 0.41666 0.66386 1.0000 + O O1016 1.0 0.95511 0.47916 0.66386 1.0000 + O O1017 1.0 0.95511 0.54166 0.66386 1.0000 + O O1018 1.0 0.95511 0.60416 0.66386 1.0000 + O O1019 1.0 0.95511 0.66666 0.66386 1.0000 + O O1020 1.0 0.95511 0.72916 0.66386 1.0000 + O O1021 1.0 0.95511 0.79166 0.66386 1.0000 + O O1022 1.0 0.95511 0.85416 0.66386 1.0000 + O O1023 1.0 0.95511 0.91666 0.66386 1.0000 + O O1024 1.0 0.95511 0.97916 0.66386 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4993_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4993_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..b286f9ea6023808244fa5504a531f74f8d80e071 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4993_supercell_12x12x1.cif @@ -0,0 +1,3193 @@ +data_image0 +_chemical_formula_structural Mn432F1152Mn432F1152 +_chemical_formula_sum "Mn864 F2304" +_cell_length_a 134.242 +_cell_length_b 76.1086 +_cell_length_c 6.22745 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Mn Mn1 1.0 0.03526 0.02029 0.49988 1.0000 + Mn Mn2 1.0 0.07693 0.06196 0.49988 1.0000 + Mn Mn3 1.0 0.11860 0.10362 0.49988 1.0000 + Mn Mn4 1.0 0.16026 0.14529 0.49988 1.0000 + Mn Mn5 1.0 0.20193 0.18696 0.49988 1.0000 + Mn Mn6 1.0 0.24360 0.22862 0.49988 1.0000 + Mn Mn7 1.0 0.28526 0.27029 0.49988 1.0000 + Mn Mn8 1.0 0.32693 0.31196 0.49988 1.0000 + Mn Mn9 1.0 0.36860 0.35362 0.49988 1.0000 + Mn Mn10 1.0 0.41026 0.39529 0.49988 1.0000 + Mn Mn11 1.0 0.45193 0.43696 0.49988 1.0000 + Mn Mn12 1.0 0.49360 0.47862 0.49988 1.0000 + Mn Mn13 1.0 0.07693 0.97862 0.49988 1.0000 + Mn Mn14 1.0 0.11860 0.02029 0.49988 1.0000 + Mn Mn15 1.0 0.16026 0.06196 0.49988 1.0000 + Mn Mn16 1.0 0.20193 0.10362 0.49988 1.0000 + Mn Mn17 1.0 0.24360 0.14529 0.49988 1.0000 + Mn Mn18 1.0 0.28526 0.18696 0.49988 1.0000 + Mn Mn19 1.0 0.32693 0.22862 0.49988 1.0000 + Mn Mn20 1.0 0.36860 0.27029 0.49988 1.0000 + Mn Mn21 1.0 0.41026 0.31196 0.49988 1.0000 + Mn Mn22 1.0 0.45193 0.35362 0.49988 1.0000 + Mn Mn23 1.0 0.49360 0.39529 0.49988 1.0000 + Mn Mn24 1.0 0.53526 0.43696 0.49988 1.0000 + Mn Mn25 1.0 0.11860 0.93696 0.49988 1.0000 + Mn Mn26 1.0 0.16026 0.97862 0.49988 1.0000 + Mn Mn27 1.0 0.20193 0.02029 0.49988 1.0000 + Mn Mn28 1.0 0.24360 0.06196 0.49988 1.0000 + Mn Mn29 1.0 0.28526 0.10362 0.49988 1.0000 + Mn Mn30 1.0 0.32693 0.14529 0.49988 1.0000 + Mn Mn31 1.0 0.36860 0.18696 0.49988 1.0000 + Mn Mn32 1.0 0.41026 0.22862 0.49988 1.0000 + Mn Mn33 1.0 0.45193 0.27029 0.49988 1.0000 + Mn Mn34 1.0 0.49360 0.31196 0.49988 1.0000 + Mn Mn35 1.0 0.53526 0.35362 0.49988 1.0000 + Mn Mn36 1.0 0.57693 0.39529 0.49988 1.0000 + Mn Mn37 1.0 0.16026 0.89529 0.49988 1.0000 + Mn Mn38 1.0 0.20193 0.93696 0.49988 1.0000 + Mn Mn39 1.0 0.24360 0.97862 0.49988 1.0000 + Mn Mn40 1.0 0.28526 0.02029 0.49988 1.0000 + Mn Mn41 1.0 0.32693 0.06196 0.49988 1.0000 + Mn Mn42 1.0 0.36860 0.10362 0.49988 1.0000 + Mn Mn43 1.0 0.41026 0.14529 0.49988 1.0000 + Mn Mn44 1.0 0.45193 0.18696 0.49988 1.0000 + Mn Mn45 1.0 0.49360 0.22862 0.49988 1.0000 + Mn Mn46 1.0 0.53526 0.27029 0.49988 1.0000 + Mn Mn47 1.0 0.57693 0.31196 0.49988 1.0000 + Mn Mn48 1.0 0.61860 0.35362 0.49988 1.0000 + Mn Mn49 1.0 0.20193 0.85362 0.49988 1.0000 + Mn Mn50 1.0 0.24360 0.89529 0.49988 1.0000 + Mn Mn51 1.0 0.28526 0.93696 0.49988 1.0000 + Mn Mn52 1.0 0.32693 0.97862 0.49988 1.0000 + Mn Mn53 1.0 0.36860 0.02029 0.49988 1.0000 + Mn Mn54 1.0 0.41026 0.06196 0.49988 1.0000 + Mn Mn55 1.0 0.45193 0.10362 0.49988 1.0000 + Mn Mn56 1.0 0.49360 0.14529 0.49988 1.0000 + Mn Mn57 1.0 0.53526 0.18696 0.49988 1.0000 + Mn Mn58 1.0 0.57693 0.22862 0.49988 1.0000 + Mn Mn59 1.0 0.61860 0.27029 0.49988 1.0000 + Mn Mn60 1.0 0.66026 0.31196 0.49988 1.0000 + Mn Mn61 1.0 0.24360 0.81196 0.49988 1.0000 + Mn Mn62 1.0 0.28526 0.85362 0.49988 1.0000 + Mn Mn63 1.0 0.32693 0.89529 0.49988 1.0000 + Mn Mn64 1.0 0.36860 0.93696 0.49988 1.0000 + Mn Mn65 1.0 0.41026 0.97862 0.49988 1.0000 + Mn Mn66 1.0 0.45193 0.02029 0.49988 1.0000 + Mn Mn67 1.0 0.49360 0.06196 0.49988 1.0000 + Mn Mn68 1.0 0.53526 0.10362 0.49988 1.0000 + Mn Mn69 1.0 0.57693 0.14529 0.49988 1.0000 + Mn Mn70 1.0 0.61860 0.18696 0.49988 1.0000 + Mn Mn71 1.0 0.66026 0.22862 0.49988 1.0000 + Mn Mn72 1.0 0.70193 0.27029 0.49988 1.0000 + Mn Mn73 1.0 0.28526 0.77029 0.49988 1.0000 + Mn Mn74 1.0 0.32693 0.81196 0.49988 1.0000 + Mn Mn75 1.0 0.36860 0.85362 0.49988 1.0000 + Mn Mn76 1.0 0.41026 0.89529 0.49988 1.0000 + Mn Mn77 1.0 0.45193 0.93696 0.49988 1.0000 + Mn Mn78 1.0 0.49360 0.97862 0.49988 1.0000 + Mn Mn79 1.0 0.53526 0.02029 0.49988 1.0000 + Mn Mn80 1.0 0.57693 0.06196 0.49988 1.0000 + Mn Mn81 1.0 0.61860 0.10362 0.49988 1.0000 + Mn Mn82 1.0 0.66026 0.14529 0.49988 1.0000 + Mn Mn83 1.0 0.70193 0.18696 0.49988 1.0000 + Mn Mn84 1.0 0.74360 0.22862 0.49988 1.0000 + Mn Mn85 1.0 0.32693 0.72862 0.49988 1.0000 + Mn Mn86 1.0 0.36860 0.77029 0.49988 1.0000 + Mn Mn87 1.0 0.41026 0.81196 0.49988 1.0000 + Mn Mn88 1.0 0.45193 0.85362 0.49988 1.0000 + Mn Mn89 1.0 0.49360 0.89529 0.49988 1.0000 + Mn Mn90 1.0 0.53526 0.93696 0.49988 1.0000 + Mn Mn91 1.0 0.57693 0.97862 0.49988 1.0000 + Mn Mn92 1.0 0.61860 0.02029 0.49988 1.0000 + Mn Mn93 1.0 0.66026 0.06196 0.49988 1.0000 + Mn Mn94 1.0 0.70193 0.10362 0.49988 1.0000 + Mn Mn95 1.0 0.74360 0.14529 0.49988 1.0000 + Mn Mn96 1.0 0.78526 0.18696 0.49988 1.0000 + Mn Mn97 1.0 0.36860 0.68696 0.49988 1.0000 + Mn Mn98 1.0 0.41026 0.72862 0.49988 1.0000 + Mn Mn99 1.0 0.45193 0.77029 0.49988 1.0000 + Mn Mn100 1.0 0.49360 0.81196 0.49988 1.0000 + Mn Mn101 1.0 0.53526 0.85362 0.49988 1.0000 + Mn Mn102 1.0 0.57693 0.89529 0.49988 1.0000 + Mn Mn103 1.0 0.61860 0.93696 0.49988 1.0000 + Mn Mn104 1.0 0.66026 0.97862 0.49988 1.0000 + Mn Mn105 1.0 0.70193 0.02029 0.49988 1.0000 + Mn Mn106 1.0 0.74360 0.06196 0.49988 1.0000 + Mn Mn107 1.0 0.78526 0.10362 0.49988 1.0000 + Mn Mn108 1.0 0.82693 0.14529 0.49988 1.0000 + Mn Mn109 1.0 0.41026 0.64529 0.49988 1.0000 + Mn Mn110 1.0 0.45193 0.68696 0.49988 1.0000 + Mn Mn111 1.0 0.49360 0.72862 0.49988 1.0000 + Mn Mn112 1.0 0.53526 0.77029 0.49988 1.0000 + Mn Mn113 1.0 0.57693 0.81196 0.49988 1.0000 + Mn Mn114 1.0 0.61860 0.85362 0.49988 1.0000 + Mn Mn115 1.0 0.66026 0.89529 0.49988 1.0000 + Mn Mn116 1.0 0.70193 0.93696 0.49988 1.0000 + Mn Mn117 1.0 0.74360 0.97862 0.49988 1.0000 + Mn Mn118 1.0 0.78526 0.02029 0.49988 1.0000 + Mn Mn119 1.0 0.82693 0.06196 0.49988 1.0000 + Mn Mn120 1.0 0.86860 0.10362 0.49988 1.0000 + Mn Mn121 1.0 0.45193 0.60362 0.49988 1.0000 + Mn Mn122 1.0 0.49360 0.64529 0.49988 1.0000 + Mn Mn123 1.0 0.53526 0.68696 0.49988 1.0000 + Mn Mn124 1.0 0.57693 0.72862 0.49988 1.0000 + Mn Mn125 1.0 0.61860 0.77029 0.49988 1.0000 + Mn Mn126 1.0 0.66026 0.81196 0.49988 1.0000 + Mn Mn127 1.0 0.70193 0.85362 0.49988 1.0000 + Mn Mn128 1.0 0.74360 0.89529 0.49988 1.0000 + Mn Mn129 1.0 0.78526 0.93696 0.49988 1.0000 + Mn Mn130 1.0 0.82693 0.97862 0.49988 1.0000 + Mn Mn131 1.0 0.86860 0.02029 0.49988 1.0000 + Mn Mn132 1.0 0.91026 0.06196 0.49988 1.0000 + Mn Mn133 1.0 0.49360 0.56196 0.49988 1.0000 + Mn Mn134 1.0 0.53526 0.60362 0.49988 1.0000 + Mn Mn135 1.0 0.57693 0.64529 0.49988 1.0000 + Mn Mn136 1.0 0.61860 0.68696 0.49988 1.0000 + Mn Mn137 1.0 0.66026 0.72862 0.49988 1.0000 + Mn Mn138 1.0 0.70193 0.77029 0.49988 1.0000 + Mn Mn139 1.0 0.74360 0.81196 0.49988 1.0000 + Mn Mn140 1.0 0.78526 0.85362 0.49988 1.0000 + Mn Mn141 1.0 0.82693 0.89529 0.49988 1.0000 + Mn Mn142 1.0 0.86860 0.93696 0.49988 1.0000 + Mn Mn143 1.0 0.91026 0.97862 0.49988 1.0000 + Mn Mn144 1.0 0.95193 0.02029 0.49988 1.0000 + Mn Mn145 1.0 0.03527 0.97862 0.50002 1.0000 + Mn Mn146 1.0 0.07694 0.02029 0.50002 1.0000 + Mn Mn147 1.0 0.11860 0.06196 0.50002 1.0000 + Mn Mn148 1.0 0.16027 0.10362 0.50002 1.0000 + Mn Mn149 1.0 0.20194 0.14529 0.50002 1.0000 + Mn Mn150 1.0 0.24360 0.18696 0.50002 1.0000 + Mn Mn151 1.0 0.28527 0.22862 0.50002 1.0000 + Mn Mn152 1.0 0.32694 0.27029 0.50002 1.0000 + Mn Mn153 1.0 0.36860 0.31196 0.50002 1.0000 + Mn Mn154 1.0 0.41027 0.35362 0.50002 1.0000 + Mn Mn155 1.0 0.45194 0.39529 0.50002 1.0000 + Mn Mn156 1.0 0.49360 0.43696 0.50002 1.0000 + Mn Mn157 1.0 0.07694 0.93696 0.50002 1.0000 + Mn Mn158 1.0 0.11860 0.97862 0.50002 1.0000 + Mn Mn159 1.0 0.16027 0.02029 0.50002 1.0000 + Mn Mn160 1.0 0.20194 0.06196 0.50002 1.0000 + Mn Mn161 1.0 0.24360 0.10362 0.50002 1.0000 + Mn Mn162 1.0 0.28527 0.14529 0.50002 1.0000 + Mn Mn163 1.0 0.32694 0.18696 0.50002 1.0000 + Mn Mn164 1.0 0.36860 0.22862 0.50002 1.0000 + Mn Mn165 1.0 0.41027 0.27029 0.50002 1.0000 + Mn Mn166 1.0 0.45194 0.31196 0.50002 1.0000 + Mn Mn167 1.0 0.49360 0.35362 0.50002 1.0000 + Mn Mn168 1.0 0.53527 0.39529 0.50002 1.0000 + Mn Mn169 1.0 0.11860 0.89529 0.50002 1.0000 + Mn Mn170 1.0 0.16027 0.93696 0.50002 1.0000 + Mn Mn171 1.0 0.20194 0.97862 0.50002 1.0000 + Mn Mn172 1.0 0.24360 0.02029 0.50002 1.0000 + Mn Mn173 1.0 0.28527 0.06196 0.50002 1.0000 + Mn Mn174 1.0 0.32694 0.10362 0.50002 1.0000 + Mn Mn175 1.0 0.36860 0.14529 0.50002 1.0000 + Mn Mn176 1.0 0.41027 0.18696 0.50002 1.0000 + Mn Mn177 1.0 0.45194 0.22862 0.50002 1.0000 + Mn Mn178 1.0 0.49360 0.27029 0.50002 1.0000 + Mn Mn179 1.0 0.53527 0.31196 0.50002 1.0000 + Mn Mn180 1.0 0.57694 0.35362 0.50002 1.0000 + Mn Mn181 1.0 0.16027 0.85362 0.50002 1.0000 + Mn Mn182 1.0 0.20194 0.89529 0.50002 1.0000 + Mn Mn183 1.0 0.24360 0.93696 0.50002 1.0000 + Mn Mn184 1.0 0.28527 0.97862 0.50002 1.0000 + Mn Mn185 1.0 0.32694 0.02029 0.50002 1.0000 + Mn Mn186 1.0 0.36860 0.06196 0.50002 1.0000 + Mn Mn187 1.0 0.41027 0.10362 0.50002 1.0000 + Mn Mn188 1.0 0.45194 0.14529 0.50002 1.0000 + Mn Mn189 1.0 0.49360 0.18696 0.50002 1.0000 + Mn Mn190 1.0 0.53527 0.22862 0.50002 1.0000 + Mn Mn191 1.0 0.57694 0.27029 0.50002 1.0000 + Mn Mn192 1.0 0.61860 0.31196 0.50002 1.0000 + Mn Mn193 1.0 0.20194 0.81196 0.50002 1.0000 + Mn Mn194 1.0 0.24360 0.85362 0.50002 1.0000 + Mn Mn195 1.0 0.28527 0.89529 0.50002 1.0000 + Mn Mn196 1.0 0.32694 0.93696 0.50002 1.0000 + Mn Mn197 1.0 0.36860 0.97862 0.50002 1.0000 + Mn Mn198 1.0 0.41027 0.02029 0.50002 1.0000 + Mn Mn199 1.0 0.45194 0.06196 0.50002 1.0000 + Mn Mn200 1.0 0.49360 0.10362 0.50002 1.0000 + Mn Mn201 1.0 0.53527 0.14529 0.50002 1.0000 + Mn Mn202 1.0 0.57694 0.18696 0.50002 1.0000 + Mn Mn203 1.0 0.61860 0.22862 0.50002 1.0000 + Mn Mn204 1.0 0.66027 0.27029 0.50002 1.0000 + Mn Mn205 1.0 0.24360 0.77029 0.50002 1.0000 + Mn Mn206 1.0 0.28527 0.81196 0.50002 1.0000 + Mn Mn207 1.0 0.32694 0.85362 0.50002 1.0000 + Mn Mn208 1.0 0.36860 0.89529 0.50002 1.0000 + Mn Mn209 1.0 0.41027 0.93696 0.50002 1.0000 + Mn Mn210 1.0 0.45194 0.97862 0.50002 1.0000 + Mn Mn211 1.0 0.49360 0.02029 0.50002 1.0000 + Mn Mn212 1.0 0.53527 0.06196 0.50002 1.0000 + Mn Mn213 1.0 0.57694 0.10362 0.50002 1.0000 + Mn Mn214 1.0 0.61860 0.14529 0.50002 1.0000 + Mn Mn215 1.0 0.66027 0.18696 0.50002 1.0000 + Mn Mn216 1.0 0.70194 0.22862 0.50002 1.0000 + Mn Mn217 1.0 0.28527 0.72862 0.50002 1.0000 + Mn Mn218 1.0 0.32694 0.77029 0.50002 1.0000 + Mn Mn219 1.0 0.36860 0.81196 0.50002 1.0000 + Mn Mn220 1.0 0.41027 0.85362 0.50002 1.0000 + Mn Mn221 1.0 0.45194 0.89529 0.50002 1.0000 + Mn Mn222 1.0 0.49360 0.93696 0.50002 1.0000 + Mn Mn223 1.0 0.53527 0.97862 0.50002 1.0000 + Mn Mn224 1.0 0.57694 0.02029 0.50002 1.0000 + Mn Mn225 1.0 0.61860 0.06196 0.50002 1.0000 + Mn Mn226 1.0 0.66027 0.10362 0.50002 1.0000 + Mn Mn227 1.0 0.70194 0.14529 0.50002 1.0000 + Mn Mn228 1.0 0.74360 0.18696 0.50002 1.0000 + Mn Mn229 1.0 0.32694 0.68696 0.50002 1.0000 + Mn Mn230 1.0 0.36860 0.72862 0.50002 1.0000 + Mn Mn231 1.0 0.41027 0.77029 0.50002 1.0000 + Mn Mn232 1.0 0.45194 0.81196 0.50002 1.0000 + Mn Mn233 1.0 0.49360 0.85362 0.50002 1.0000 + Mn Mn234 1.0 0.53527 0.89529 0.50002 1.0000 + Mn Mn235 1.0 0.57694 0.93696 0.50002 1.0000 + Mn Mn236 1.0 0.61860 0.97862 0.50002 1.0000 + Mn Mn237 1.0 0.66027 0.02029 0.50002 1.0000 + Mn Mn238 1.0 0.70194 0.06196 0.50002 1.0000 + Mn Mn239 1.0 0.74360 0.10362 0.50002 1.0000 + Mn Mn240 1.0 0.78527 0.14529 0.50002 1.0000 + Mn Mn241 1.0 0.36860 0.64529 0.50002 1.0000 + Mn Mn242 1.0 0.41027 0.68696 0.50002 1.0000 + Mn Mn243 1.0 0.45194 0.72862 0.50002 1.0000 + Mn Mn244 1.0 0.49360 0.77029 0.50002 1.0000 + Mn Mn245 1.0 0.53527 0.81196 0.50002 1.0000 + Mn Mn246 1.0 0.57694 0.85362 0.50002 1.0000 + Mn Mn247 1.0 0.61860 0.89529 0.50002 1.0000 + Mn Mn248 1.0 0.66027 0.93696 0.50002 1.0000 + Mn Mn249 1.0 0.70194 0.97862 0.50002 1.0000 + Mn Mn250 1.0 0.74360 0.02029 0.50002 1.0000 + Mn Mn251 1.0 0.78527 0.06196 0.50002 1.0000 + Mn Mn252 1.0 0.82694 0.10362 0.50002 1.0000 + Mn Mn253 1.0 0.41027 0.60362 0.50002 1.0000 + Mn Mn254 1.0 0.45194 0.64529 0.50002 1.0000 + Mn Mn255 1.0 0.49360 0.68696 0.50002 1.0000 + Mn Mn256 1.0 0.53527 0.72862 0.50002 1.0000 + Mn Mn257 1.0 0.57694 0.77029 0.50002 1.0000 + Mn Mn258 1.0 0.61860 0.81196 0.50002 1.0000 + Mn Mn259 1.0 0.66027 0.85362 0.50002 1.0000 + Mn Mn260 1.0 0.70194 0.89529 0.50002 1.0000 + Mn Mn261 1.0 0.74360 0.93696 0.50002 1.0000 + Mn Mn262 1.0 0.78527 0.97862 0.50002 1.0000 + Mn Mn263 1.0 0.82694 0.02029 0.50002 1.0000 + Mn Mn264 1.0 0.86860 0.06196 0.50002 1.0000 + Mn Mn265 1.0 0.45194 0.56196 0.50002 1.0000 + Mn Mn266 1.0 0.49360 0.60362 0.50002 1.0000 + Mn Mn267 1.0 0.53527 0.64529 0.50002 1.0000 + Mn Mn268 1.0 0.57694 0.68696 0.50002 1.0000 + Mn Mn269 1.0 0.61860 0.72862 0.50002 1.0000 + Mn Mn270 1.0 0.66027 0.77029 0.50002 1.0000 + Mn Mn271 1.0 0.70194 0.81196 0.50002 1.0000 + Mn Mn272 1.0 0.74360 0.85362 0.50002 1.0000 + Mn Mn273 1.0 0.78527 0.89529 0.50002 1.0000 + Mn Mn274 1.0 0.82694 0.93696 0.50002 1.0000 + Mn Mn275 1.0 0.86860 0.97862 0.50002 1.0000 + Mn Mn276 1.0 0.91027 0.02029 0.50002 1.0000 + Mn Mn277 1.0 0.49360 0.52029 0.50002 1.0000 + Mn Mn278 1.0 0.53527 0.56196 0.50002 1.0000 + Mn Mn279 1.0 0.57694 0.60362 0.50002 1.0000 + Mn Mn280 1.0 0.61860 0.64529 0.50002 1.0000 + Mn Mn281 1.0 0.66027 0.68696 0.50002 1.0000 + Mn Mn282 1.0 0.70194 0.72862 0.50002 1.0000 + Mn Mn283 1.0 0.74360 0.77029 0.50002 1.0000 + Mn Mn284 1.0 0.78527 0.81196 0.50002 1.0000 + Mn Mn285 1.0 0.82694 0.85362 0.50002 1.0000 + Mn Mn286 1.0 0.86860 0.89529 0.50002 1.0000 + Mn Mn287 1.0 0.91027 0.93696 0.50002 1.0000 + Mn Mn288 1.0 0.95194 0.97862 0.50002 1.0000 + Mn Mn289 1.0 0.01443 0.99946 0.50007 1.0000 + Mn Mn290 1.0 0.05610 0.04113 0.50007 1.0000 + Mn Mn291 1.0 0.09777 0.08280 0.50007 1.0000 + Mn Mn292 1.0 0.13943 0.12446 0.50007 1.0000 + Mn Mn293 1.0 0.18110 0.16613 0.50007 1.0000 + Mn Mn294 1.0 0.22277 0.20780 0.50007 1.0000 + Mn Mn295 1.0 0.26443 0.24946 0.50007 1.0000 + Mn Mn296 1.0 0.30610 0.29113 0.50007 1.0000 + Mn Mn297 1.0 0.34777 0.33280 0.50007 1.0000 + Mn Mn298 1.0 0.38943 0.37446 0.50007 1.0000 + Mn Mn299 1.0 0.43110 0.41613 0.50007 1.0000 + Mn Mn300 1.0 0.47277 0.45780 0.50007 1.0000 + Mn Mn301 1.0 0.05610 0.95780 0.50007 1.0000 + Mn Mn302 1.0 0.09777 0.99946 0.50007 1.0000 + Mn Mn303 1.0 0.13943 0.04113 0.50007 1.0000 + Mn Mn304 1.0 0.18110 0.08280 0.50007 1.0000 + Mn Mn305 1.0 0.22277 0.12446 0.50007 1.0000 + Mn Mn306 1.0 0.26443 0.16613 0.50007 1.0000 + Mn Mn307 1.0 0.30610 0.20780 0.50007 1.0000 + Mn Mn308 1.0 0.34777 0.24946 0.50007 1.0000 + Mn Mn309 1.0 0.38943 0.29113 0.50007 1.0000 + Mn Mn310 1.0 0.43110 0.33280 0.50007 1.0000 + Mn Mn311 1.0 0.47277 0.37446 0.50007 1.0000 + Mn Mn312 1.0 0.51443 0.41613 0.50007 1.0000 + Mn Mn313 1.0 0.09777 0.91613 0.50007 1.0000 + Mn Mn314 1.0 0.13943 0.95780 0.50007 1.0000 + Mn Mn315 1.0 0.18110 0.99946 0.50007 1.0000 + Mn Mn316 1.0 0.22277 0.04113 0.50007 1.0000 + Mn Mn317 1.0 0.26443 0.08280 0.50007 1.0000 + Mn Mn318 1.0 0.30610 0.12446 0.50007 1.0000 + Mn Mn319 1.0 0.34777 0.16613 0.50007 1.0000 + Mn Mn320 1.0 0.38943 0.20780 0.50007 1.0000 + Mn Mn321 1.0 0.43110 0.24946 0.50007 1.0000 + Mn Mn322 1.0 0.47277 0.29113 0.50007 1.0000 + Mn Mn323 1.0 0.51443 0.33280 0.50007 1.0000 + Mn Mn324 1.0 0.55610 0.37446 0.50007 1.0000 + Mn Mn325 1.0 0.13943 0.87446 0.50007 1.0000 + Mn Mn326 1.0 0.18110 0.91613 0.50007 1.0000 + Mn Mn327 1.0 0.22277 0.95780 0.50007 1.0000 + Mn Mn328 1.0 0.26443 0.99946 0.50007 1.0000 + Mn Mn329 1.0 0.30610 0.04113 0.50007 1.0000 + Mn Mn330 1.0 0.34777 0.08280 0.50007 1.0000 + Mn Mn331 1.0 0.38943 0.12446 0.50007 1.0000 + Mn Mn332 1.0 0.43110 0.16613 0.50007 1.0000 + Mn Mn333 1.0 0.47277 0.20780 0.50007 1.0000 + Mn Mn334 1.0 0.51443 0.24946 0.50007 1.0000 + Mn Mn335 1.0 0.55610 0.29113 0.50007 1.0000 + Mn Mn336 1.0 0.59777 0.33280 0.50007 1.0000 + Mn Mn337 1.0 0.18110 0.83280 0.50007 1.0000 + Mn Mn338 1.0 0.22277 0.87446 0.50007 1.0000 + Mn Mn339 1.0 0.26443 0.91613 0.50007 1.0000 + Mn Mn340 1.0 0.30610 0.95780 0.50007 1.0000 + Mn Mn341 1.0 0.34777 0.99946 0.50007 1.0000 + Mn Mn342 1.0 0.38943 0.04113 0.50007 1.0000 + Mn Mn343 1.0 0.43110 0.08280 0.50007 1.0000 + Mn Mn344 1.0 0.47277 0.12446 0.50007 1.0000 + Mn Mn345 1.0 0.51443 0.16613 0.50007 1.0000 + Mn Mn346 1.0 0.55610 0.20780 0.50007 1.0000 + Mn Mn347 1.0 0.59777 0.24946 0.50007 1.0000 + Mn Mn348 1.0 0.63943 0.29113 0.50007 1.0000 + Mn Mn349 1.0 0.22277 0.79113 0.50007 1.0000 + Mn Mn350 1.0 0.26443 0.83280 0.50007 1.0000 + Mn Mn351 1.0 0.30610 0.87446 0.50007 1.0000 + Mn Mn352 1.0 0.34777 0.91613 0.50007 1.0000 + Mn Mn353 1.0 0.38943 0.95780 0.50007 1.0000 + Mn Mn354 1.0 0.43110 0.99946 0.50007 1.0000 + Mn Mn355 1.0 0.47277 0.04113 0.50007 1.0000 + Mn Mn356 1.0 0.51443 0.08280 0.50007 1.0000 + Mn Mn357 1.0 0.55610 0.12446 0.50007 1.0000 + Mn Mn358 1.0 0.59777 0.16613 0.50007 1.0000 + Mn Mn359 1.0 0.63943 0.20780 0.50007 1.0000 + Mn Mn360 1.0 0.68110 0.24946 0.50007 1.0000 + Mn Mn361 1.0 0.26443 0.74946 0.50007 1.0000 + Mn Mn362 1.0 0.30610 0.79113 0.50007 1.0000 + Mn Mn363 1.0 0.34777 0.83280 0.50007 1.0000 + Mn Mn364 1.0 0.38943 0.87446 0.50007 1.0000 + Mn Mn365 1.0 0.43110 0.91613 0.50007 1.0000 + Mn Mn366 1.0 0.47277 0.95780 0.50007 1.0000 + Mn Mn367 1.0 0.51443 0.99946 0.50007 1.0000 + Mn Mn368 1.0 0.55610 0.04113 0.50007 1.0000 + Mn Mn369 1.0 0.59777 0.08280 0.50007 1.0000 + Mn Mn370 1.0 0.63943 0.12446 0.50007 1.0000 + Mn Mn371 1.0 0.68110 0.16613 0.50007 1.0000 + Mn Mn372 1.0 0.72277 0.20780 0.50007 1.0000 + Mn Mn373 1.0 0.30610 0.70780 0.50007 1.0000 + Mn Mn374 1.0 0.34777 0.74946 0.50007 1.0000 + Mn Mn375 1.0 0.38943 0.79113 0.50007 1.0000 + Mn Mn376 1.0 0.43110 0.83280 0.50007 1.0000 + Mn Mn377 1.0 0.47277 0.87446 0.50007 1.0000 + Mn Mn378 1.0 0.51443 0.91613 0.50007 1.0000 + Mn Mn379 1.0 0.55610 0.95780 0.50007 1.0000 + Mn Mn380 1.0 0.59777 0.99946 0.50007 1.0000 + Mn Mn381 1.0 0.63943 0.04113 0.50007 1.0000 + Mn Mn382 1.0 0.68110 0.08280 0.50007 1.0000 + Mn Mn383 1.0 0.72277 0.12446 0.50007 1.0000 + Mn Mn384 1.0 0.76443 0.16613 0.50007 1.0000 + Mn Mn385 1.0 0.34777 0.66613 0.50007 1.0000 + Mn Mn386 1.0 0.38943 0.70780 0.50007 1.0000 + Mn Mn387 1.0 0.43110 0.74946 0.50007 1.0000 + Mn Mn388 1.0 0.47277 0.79113 0.50007 1.0000 + Mn Mn389 1.0 0.51443 0.83280 0.50007 1.0000 + Mn Mn390 1.0 0.55610 0.87446 0.50007 1.0000 + Mn Mn391 1.0 0.59777 0.91613 0.50007 1.0000 + Mn Mn392 1.0 0.63943 0.95780 0.50007 1.0000 + Mn Mn393 1.0 0.68110 0.99946 0.50007 1.0000 + Mn Mn394 1.0 0.72277 0.04113 0.50007 1.0000 + Mn Mn395 1.0 0.76443 0.08280 0.50007 1.0000 + Mn Mn396 1.0 0.80610 0.12446 0.50007 1.0000 + Mn Mn397 1.0 0.38943 0.62446 0.50007 1.0000 + Mn Mn398 1.0 0.43110 0.66613 0.50007 1.0000 + Mn Mn399 1.0 0.47277 0.70780 0.50007 1.0000 + Mn Mn400 1.0 0.51443 0.74946 0.50007 1.0000 + Mn Mn401 1.0 0.55610 0.79113 0.50007 1.0000 + Mn Mn402 1.0 0.59777 0.83280 0.50007 1.0000 + Mn Mn403 1.0 0.63943 0.87446 0.50007 1.0000 + Mn Mn404 1.0 0.68110 0.91613 0.50007 1.0000 + Mn Mn405 1.0 0.72277 0.95780 0.50007 1.0000 + Mn Mn406 1.0 0.76443 0.99946 0.50007 1.0000 + Mn Mn407 1.0 0.80610 0.04113 0.50007 1.0000 + Mn Mn408 1.0 0.84777 0.08280 0.50007 1.0000 + Mn Mn409 1.0 0.43110 0.58280 0.50007 1.0000 + Mn Mn410 1.0 0.47277 0.62446 0.50007 1.0000 + Mn Mn411 1.0 0.51443 0.66613 0.50007 1.0000 + Mn Mn412 1.0 0.55610 0.70780 0.50007 1.0000 + Mn Mn413 1.0 0.59777 0.74946 0.50007 1.0000 + Mn Mn414 1.0 0.63943 0.79113 0.50007 1.0000 + Mn Mn415 1.0 0.68110 0.83280 0.50007 1.0000 + Mn Mn416 1.0 0.72277 0.87446 0.50007 1.0000 + Mn Mn417 1.0 0.76443 0.91613 0.50007 1.0000 + Mn Mn418 1.0 0.80610 0.95780 0.50007 1.0000 + Mn Mn419 1.0 0.84777 0.99946 0.50007 1.0000 + Mn Mn420 1.0 0.88943 0.04113 0.50007 1.0000 + Mn Mn421 1.0 0.47277 0.54113 0.50007 1.0000 + Mn Mn422 1.0 0.51443 0.58280 0.50007 1.0000 + Mn Mn423 1.0 0.55610 0.62446 0.50007 1.0000 + Mn Mn424 1.0 0.59777 0.66613 0.50007 1.0000 + Mn Mn425 1.0 0.63943 0.70780 0.50007 1.0000 + Mn Mn426 1.0 0.68110 0.74946 0.50007 1.0000 + Mn Mn427 1.0 0.72277 0.79113 0.50007 1.0000 + Mn Mn428 1.0 0.76443 0.83280 0.50007 1.0000 + Mn Mn429 1.0 0.80610 0.87446 0.50007 1.0000 + Mn Mn430 1.0 0.84777 0.91613 0.50007 1.0000 + Mn Mn431 1.0 0.88943 0.95780 0.50007 1.0000 + Mn Mn432 1.0 0.93110 0.99946 0.50007 1.0000 + F F1 1.0 0.00040 0.00035 0.67884 1.0000 + F F2 1.0 0.04207 0.04202 0.67884 1.0000 + F F3 1.0 0.08373 0.08369 0.67884 1.0000 + F F4 1.0 0.12540 0.12535 0.67884 1.0000 + F F5 1.0 0.16707 0.16702 0.67884 1.0000 + F F6 1.0 0.20873 0.20869 0.67884 1.0000 + F F7 1.0 0.25040 0.25035 0.67884 1.0000 + F F8 1.0 0.29207 0.29202 0.67884 1.0000 + F F9 1.0 0.33373 0.33369 0.67884 1.0000 + F F10 1.0 0.37540 0.37535 0.67884 1.0000 + F F11 1.0 0.41707 0.41702 0.67884 1.0000 + F F12 1.0 0.45873 0.45869 0.67884 1.0000 + F F13 1.0 0.04207 0.95869 0.67884 1.0000 + F F14 1.0 0.08373 0.00035 0.67884 1.0000 + F F15 1.0 0.12540 0.04202 0.67884 1.0000 + F F16 1.0 0.16707 0.08369 0.67884 1.0000 + F F17 1.0 0.20873 0.12535 0.67884 1.0000 + F F18 1.0 0.25040 0.16702 0.67884 1.0000 + F F19 1.0 0.29207 0.20869 0.67884 1.0000 + F F20 1.0 0.33373 0.25035 0.67884 1.0000 + F F21 1.0 0.37540 0.29202 0.67884 1.0000 + F F22 1.0 0.41707 0.33369 0.67884 1.0000 + F F23 1.0 0.45873 0.37535 0.67884 1.0000 + F F24 1.0 0.50040 0.41702 0.67884 1.0000 + F F25 1.0 0.08373 0.91702 0.67884 1.0000 + F F26 1.0 0.12540 0.95869 0.67884 1.0000 + F F27 1.0 0.16707 0.00035 0.67884 1.0000 + F F28 1.0 0.20873 0.04202 0.67884 1.0000 + F F29 1.0 0.25040 0.08369 0.67884 1.0000 + F F30 1.0 0.29207 0.12535 0.67884 1.0000 + F F31 1.0 0.33373 0.16702 0.67884 1.0000 + F F32 1.0 0.37540 0.20869 0.67884 1.0000 + F F33 1.0 0.41707 0.25035 0.67884 1.0000 + F F34 1.0 0.45873 0.29202 0.67884 1.0000 + F F35 1.0 0.50040 0.33369 0.67884 1.0000 + F F36 1.0 0.54207 0.37535 0.67884 1.0000 + F F37 1.0 0.12540 0.87535 0.67884 1.0000 + F F38 1.0 0.16707 0.91702 0.67884 1.0000 + F F39 1.0 0.20873 0.95869 0.67884 1.0000 + F F40 1.0 0.25040 0.00035 0.67884 1.0000 + F F41 1.0 0.29207 0.04202 0.67884 1.0000 + F F42 1.0 0.33373 0.08369 0.67884 1.0000 + F F43 1.0 0.37540 0.12535 0.67884 1.0000 + F F44 1.0 0.41707 0.16702 0.67884 1.0000 + F F45 1.0 0.45873 0.20869 0.67884 1.0000 + F F46 1.0 0.50040 0.25035 0.67884 1.0000 + F F47 1.0 0.54207 0.29202 0.67884 1.0000 + F F48 1.0 0.58373 0.33369 0.67884 1.0000 + F F49 1.0 0.16707 0.83369 0.67884 1.0000 + F F50 1.0 0.20873 0.87535 0.67884 1.0000 + F F51 1.0 0.25040 0.91702 0.67884 1.0000 + F F52 1.0 0.29207 0.95869 0.67884 1.0000 + F F53 1.0 0.33373 0.00035 0.67884 1.0000 + F F54 1.0 0.37540 0.04202 0.67884 1.0000 + F F55 1.0 0.41707 0.08369 0.67884 1.0000 + F F56 1.0 0.45873 0.12535 0.67884 1.0000 + F F57 1.0 0.50040 0.16702 0.67884 1.0000 + F F58 1.0 0.54207 0.20869 0.67884 1.0000 + F F59 1.0 0.58373 0.25035 0.67884 1.0000 + F F60 1.0 0.62540 0.29202 0.67884 1.0000 + F F61 1.0 0.20873 0.79202 0.67884 1.0000 + F F62 1.0 0.25040 0.83369 0.67884 1.0000 + F F63 1.0 0.29207 0.87535 0.67884 1.0000 + F F64 1.0 0.33373 0.91702 0.67884 1.0000 + F F65 1.0 0.37540 0.95869 0.67884 1.0000 + F F66 1.0 0.41707 0.00035 0.67884 1.0000 + F F67 1.0 0.45873 0.04202 0.67884 1.0000 + F F68 1.0 0.50040 0.08369 0.67884 1.0000 + F F69 1.0 0.54207 0.12535 0.67884 1.0000 + F F70 1.0 0.58373 0.16702 0.67884 1.0000 + F F71 1.0 0.62540 0.20869 0.67884 1.0000 + F F72 1.0 0.66707 0.25035 0.67884 1.0000 + F F73 1.0 0.25040 0.75035 0.67884 1.0000 + F F74 1.0 0.29207 0.79202 0.67884 1.0000 + F F75 1.0 0.33373 0.83369 0.67884 1.0000 + F F76 1.0 0.37540 0.87535 0.67884 1.0000 + F F77 1.0 0.41707 0.91702 0.67884 1.0000 + F F78 1.0 0.45873 0.95869 0.67884 1.0000 + F F79 1.0 0.50040 0.00035 0.67884 1.0000 + F F80 1.0 0.54207 0.04202 0.67884 1.0000 + F F81 1.0 0.58373 0.08369 0.67884 1.0000 + F F82 1.0 0.62540 0.12535 0.67884 1.0000 + F F83 1.0 0.66707 0.16702 0.67884 1.0000 + F F84 1.0 0.70873 0.20869 0.67884 1.0000 + F F85 1.0 0.29207 0.70869 0.67884 1.0000 + F F86 1.0 0.33373 0.75035 0.67884 1.0000 + F F87 1.0 0.37540 0.79202 0.67884 1.0000 + F F88 1.0 0.41707 0.83369 0.67884 1.0000 + F F89 1.0 0.45873 0.87535 0.67884 1.0000 + F F90 1.0 0.50040 0.91702 0.67884 1.0000 + F F91 1.0 0.54207 0.95869 0.67884 1.0000 + F F92 1.0 0.58373 0.00035 0.67884 1.0000 + F F93 1.0 0.62540 0.04202 0.67884 1.0000 + F F94 1.0 0.66707 0.08369 0.67884 1.0000 + F F95 1.0 0.70873 0.12535 0.67884 1.0000 + F F96 1.0 0.75040 0.16702 0.67884 1.0000 + F F97 1.0 0.33373 0.66702 0.67884 1.0000 + F F98 1.0 0.37540 0.70869 0.67884 1.0000 + F F99 1.0 0.41707 0.75035 0.67884 1.0000 + F F100 1.0 0.45873 0.79202 0.67884 1.0000 + F F101 1.0 0.50040 0.83369 0.67884 1.0000 + F F102 1.0 0.54207 0.87535 0.67884 1.0000 + F F103 1.0 0.58373 0.91702 0.67884 1.0000 + F F104 1.0 0.62540 0.95869 0.67884 1.0000 + F F105 1.0 0.66707 0.00035 0.67884 1.0000 + F F106 1.0 0.70873 0.04202 0.67884 1.0000 + F F107 1.0 0.75040 0.08369 0.67884 1.0000 + F F108 1.0 0.79207 0.12535 0.67884 1.0000 + F F109 1.0 0.37540 0.62535 0.67884 1.0000 + F F110 1.0 0.41707 0.66702 0.67884 1.0000 + F F111 1.0 0.45873 0.70869 0.67884 1.0000 + F F112 1.0 0.50040 0.75035 0.67884 1.0000 + F F113 1.0 0.54207 0.79202 0.67884 1.0000 + F F114 1.0 0.58373 0.83369 0.67884 1.0000 + F F115 1.0 0.62540 0.87535 0.67884 1.0000 + F F116 1.0 0.66707 0.91702 0.67884 1.0000 + F F117 1.0 0.70873 0.95869 0.67884 1.0000 + F F118 1.0 0.75040 0.00035 0.67884 1.0000 + F F119 1.0 0.79207 0.04202 0.67884 1.0000 + F F120 1.0 0.83373 0.08369 0.67884 1.0000 + F F121 1.0 0.41707 0.58369 0.67884 1.0000 + F F122 1.0 0.45873 0.62535 0.67884 1.0000 + F F123 1.0 0.50040 0.66702 0.67884 1.0000 + F F124 1.0 0.54207 0.70869 0.67884 1.0000 + F F125 1.0 0.58373 0.75035 0.67884 1.0000 + F F126 1.0 0.62540 0.79202 0.67884 1.0000 + F F127 1.0 0.66707 0.83369 0.67884 1.0000 + F F128 1.0 0.70873 0.87535 0.67884 1.0000 + F F129 1.0 0.75040 0.91702 0.67884 1.0000 + F F130 1.0 0.79207 0.95869 0.67884 1.0000 + F F131 1.0 0.83373 0.00035 0.67884 1.0000 + F F132 1.0 0.87540 0.04202 0.67884 1.0000 + F F133 1.0 0.45873 0.54202 0.67884 1.0000 + F F134 1.0 0.50040 0.58369 0.67884 1.0000 + F F135 1.0 0.54207 0.62535 0.67884 1.0000 + F F136 1.0 0.58373 0.66702 0.67884 1.0000 + F F137 1.0 0.62540 0.70869 0.67884 1.0000 + F F138 1.0 0.66707 0.75035 0.67884 1.0000 + F F139 1.0 0.70873 0.79202 0.67884 1.0000 + F F140 1.0 0.75040 0.83369 0.67884 1.0000 + F F141 1.0 0.79207 0.87535 0.67884 1.0000 + F F142 1.0 0.83373 0.91702 0.67884 1.0000 + F F143 1.0 0.87540 0.95869 0.67884 1.0000 + F F144 1.0 0.91707 0.00035 0.67884 1.0000 + F F145 1.0 0.04030 0.00010 0.65023 1.0000 + F F146 1.0 0.08197 0.04177 0.65023 1.0000 + F F147 1.0 0.12364 0.08344 0.65023 1.0000 + F F148 1.0 0.16530 0.12510 0.65023 1.0000 + F F149 1.0 0.20697 0.16677 0.65023 1.0000 + F F150 1.0 0.24864 0.20844 0.65023 1.0000 + F F151 1.0 0.29030 0.25010 0.65023 1.0000 + F F152 1.0 0.33197 0.29177 0.65023 1.0000 + F F153 1.0 0.37364 0.33344 0.65023 1.0000 + F F154 1.0 0.41530 0.37510 0.65023 1.0000 + F F155 1.0 0.45697 0.41677 0.65023 1.0000 + F F156 1.0 0.49864 0.45844 0.65023 1.0000 + F F157 1.0 0.08197 0.95844 0.65023 1.0000 + F F158 1.0 0.12364 0.00010 0.65023 1.0000 + F F159 1.0 0.16530 0.04177 0.65023 1.0000 + F F160 1.0 0.20697 0.08344 0.65023 1.0000 + F F161 1.0 0.24864 0.12510 0.65023 1.0000 + F F162 1.0 0.29030 0.16677 0.65023 1.0000 + F F163 1.0 0.33197 0.20844 0.65023 1.0000 + F F164 1.0 0.37364 0.25010 0.65023 1.0000 + F F165 1.0 0.41530 0.29177 0.65023 1.0000 + F F166 1.0 0.45697 0.33344 0.65023 1.0000 + F F167 1.0 0.49864 0.37510 0.65023 1.0000 + F F168 1.0 0.54030 0.41677 0.65023 1.0000 + F F169 1.0 0.12364 0.91677 0.65023 1.0000 + F F170 1.0 0.16530 0.95844 0.65023 1.0000 + F F171 1.0 0.20697 0.00010 0.65023 1.0000 + F F172 1.0 0.24864 0.04177 0.65023 1.0000 + F F173 1.0 0.29030 0.08344 0.65023 1.0000 + F F174 1.0 0.33197 0.12510 0.65023 1.0000 + F F175 1.0 0.37364 0.16677 0.65023 1.0000 + F F176 1.0 0.41530 0.20844 0.65023 1.0000 + F F177 1.0 0.45697 0.25010 0.65023 1.0000 + F F178 1.0 0.49864 0.29177 0.65023 1.0000 + F F179 1.0 0.54030 0.33344 0.65023 1.0000 + F F180 1.0 0.58197 0.37510 0.65023 1.0000 + F F181 1.0 0.16530 0.87510 0.65023 1.0000 + F F182 1.0 0.20697 0.91677 0.65023 1.0000 + F F183 1.0 0.24864 0.95844 0.65023 1.0000 + F F184 1.0 0.29030 0.00010 0.65023 1.0000 + F F185 1.0 0.33197 0.04177 0.65023 1.0000 + F F186 1.0 0.37364 0.08344 0.65023 1.0000 + F F187 1.0 0.41530 0.12510 0.65023 1.0000 + F F188 1.0 0.45697 0.16677 0.65023 1.0000 + F F189 1.0 0.49864 0.20844 0.65023 1.0000 + F F190 1.0 0.54030 0.25010 0.65023 1.0000 + F F191 1.0 0.58197 0.29177 0.65023 1.0000 + F F192 1.0 0.62364 0.33344 0.65023 1.0000 + F F193 1.0 0.20697 0.83344 0.65023 1.0000 + F F194 1.0 0.24864 0.87510 0.65023 1.0000 + F F195 1.0 0.29030 0.91677 0.65023 1.0000 + F F196 1.0 0.33197 0.95844 0.65023 1.0000 + F F197 1.0 0.37364 0.00010 0.65023 1.0000 + F F198 1.0 0.41530 0.04177 0.65023 1.0000 + F F199 1.0 0.45697 0.08344 0.65023 1.0000 + F F200 1.0 0.49864 0.12510 0.65023 1.0000 + F F201 1.0 0.54030 0.16677 0.65023 1.0000 + F F202 1.0 0.58197 0.20844 0.65023 1.0000 + F F203 1.0 0.62364 0.25010 0.65023 1.0000 + F F204 1.0 0.66530 0.29177 0.65023 1.0000 + F F205 1.0 0.24864 0.79177 0.65023 1.0000 + F F206 1.0 0.29030 0.83344 0.65023 1.0000 + F F207 1.0 0.33197 0.87510 0.65023 1.0000 + F F208 1.0 0.37364 0.91677 0.65023 1.0000 + F F209 1.0 0.41530 0.95844 0.65023 1.0000 + F F210 1.0 0.45697 0.00010 0.65023 1.0000 + F F211 1.0 0.49864 0.04177 0.65023 1.0000 + F F212 1.0 0.54030 0.08344 0.65023 1.0000 + F F213 1.0 0.58197 0.12510 0.65023 1.0000 + F F214 1.0 0.62364 0.16677 0.65023 1.0000 + F F215 1.0 0.66530 0.20844 0.65023 1.0000 + F F216 1.0 0.70697 0.25010 0.65023 1.0000 + F F217 1.0 0.29030 0.75010 0.65023 1.0000 + F F218 1.0 0.33197 0.79177 0.65023 1.0000 + F F219 1.0 0.37364 0.83344 0.65023 1.0000 + F F220 1.0 0.41530 0.87510 0.65023 1.0000 + F F221 1.0 0.45697 0.91677 0.65023 1.0000 + F F222 1.0 0.49864 0.95844 0.65023 1.0000 + F F223 1.0 0.54030 0.00010 0.65023 1.0000 + F F224 1.0 0.58197 0.04177 0.65023 1.0000 + F F225 1.0 0.62364 0.08344 0.65023 1.0000 + F F226 1.0 0.66530 0.12510 0.65023 1.0000 + F F227 1.0 0.70697 0.16677 0.65023 1.0000 + F F228 1.0 0.74864 0.20844 0.65023 1.0000 + F F229 1.0 0.33197 0.70844 0.65023 1.0000 + F F230 1.0 0.37364 0.75010 0.65023 1.0000 + F F231 1.0 0.41530 0.79177 0.65023 1.0000 + F F232 1.0 0.45697 0.83344 0.65023 1.0000 + F F233 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0.10510 0.35092 1.0000 + F F959 1.0 0.75564 0.14677 0.35092 1.0000 + F F960 1.0 0.79731 0.18843 0.35092 1.0000 + F F961 1.0 0.38064 0.68843 0.35092 1.0000 + F F962 1.0 0.42231 0.73010 0.35092 1.0000 + F F963 1.0 0.46398 0.77177 0.35092 1.0000 + F F964 1.0 0.50564 0.81343 0.35092 1.0000 + F F965 1.0 0.54731 0.85510 0.35092 1.0000 + F F966 1.0 0.58898 0.89677 0.35092 1.0000 + F F967 1.0 0.63064 0.93843 0.35092 1.0000 + F F968 1.0 0.67231 0.98010 0.35092 1.0000 + F F969 1.0 0.71398 0.02177 0.35092 1.0000 + F F970 1.0 0.75564 0.06343 0.35092 1.0000 + F F971 1.0 0.79731 0.10510 0.35092 1.0000 + F F972 1.0 0.83898 0.14677 0.35092 1.0000 + F F973 1.0 0.42231 0.64677 0.35092 1.0000 + F F974 1.0 0.46398 0.68843 0.35092 1.0000 + F F975 1.0 0.50564 0.73010 0.35092 1.0000 + F F976 1.0 0.54731 0.77177 0.35092 1.0000 + F F977 1.0 0.58898 0.81343 0.35092 1.0000 + F F978 1.0 0.63064 0.85510 0.35092 1.0000 + F F979 1.0 0.67231 0.89677 0.35092 1.0000 + F F980 1.0 0.71398 0.93843 0.35092 1.0000 + F F981 1.0 0.75564 0.98010 0.35092 1.0000 + F F982 1.0 0.79731 0.02177 0.35092 1.0000 + F F983 1.0 0.83898 0.06343 0.35092 1.0000 + F F984 1.0 0.88064 0.10510 0.35092 1.0000 + F F985 1.0 0.46398 0.60510 0.35092 1.0000 + F F986 1.0 0.50564 0.64677 0.35092 1.0000 + F F987 1.0 0.54731 0.68843 0.35092 1.0000 + F F988 1.0 0.58898 0.73010 0.35092 1.0000 + F F989 1.0 0.63064 0.77177 0.35092 1.0000 + F F990 1.0 0.67231 0.81343 0.35092 1.0000 + F F991 1.0 0.71398 0.85510 0.35092 1.0000 + F F992 1.0 0.75564 0.89677 0.35092 1.0000 + F F993 1.0 0.79731 0.93843 0.35092 1.0000 + F F994 1.0 0.83898 0.98010 0.35092 1.0000 + F F995 1.0 0.88064 0.02177 0.35092 1.0000 + F F996 1.0 0.92231 0.06343 0.35092 1.0000 + F F997 1.0 0.50564 0.56343 0.35092 1.0000 + F F998 1.0 0.54731 0.60510 0.35092 1.0000 + F F999 1.0 0.58898 0.64677 0.35092 1.0000 + F F1000 1.0 0.63064 0.68843 0.35092 1.0000 + F F1001 1.0 0.67231 0.73010 0.35092 1.0000 + F F1002 1.0 0.71398 0.77177 0.35092 1.0000 + F F1003 1.0 0.75564 0.81343 0.35092 1.0000 + F F1004 1.0 0.79731 0.85510 0.35092 1.0000 + F F1005 1.0 0.83898 0.89677 0.35092 1.0000 + F F1006 1.0 0.88064 0.93843 0.35092 1.0000 + F F1007 1.0 0.92231 0.98010 0.35092 1.0000 + F F1008 1.0 0.96398 0.02177 0.35092 1.0000 + F F1009 1.0 0.04707 0.97743 0.34669 1.0000 + F F1010 1.0 0.08874 0.01910 0.34669 1.0000 + F F1011 1.0 0.13041 0.06076 0.34669 1.0000 + F F1012 1.0 0.17207 0.10243 0.34669 1.0000 + F F1013 1.0 0.21374 0.14410 0.34669 1.0000 + F F1014 1.0 0.25541 0.18576 0.34669 1.0000 + F F1015 1.0 0.29707 0.22743 0.34669 1.0000 + F F1016 1.0 0.33874 0.26910 0.34669 1.0000 + F F1017 1.0 0.38041 0.31076 0.34669 1.0000 + F F1018 1.0 0.42207 0.35243 0.34669 1.0000 + F F1019 1.0 0.46374 0.39410 0.34669 1.0000 + F F1020 1.0 0.50541 0.43576 0.34669 1.0000 + F F1021 1.0 0.08874 0.93576 0.34669 1.0000 + F F1022 1.0 0.13041 0.97743 0.34669 1.0000 + F F1023 1.0 0.17207 0.01910 0.34669 1.0000 + F F1024 1.0 0.21374 0.06076 0.34669 1.0000 + F F1025 1.0 0.25541 0.10243 0.34669 1.0000 + F F1026 1.0 0.29707 0.14410 0.34669 1.0000 + F F1027 1.0 0.33874 0.18576 0.34669 1.0000 + F F1028 1.0 0.38041 0.22743 0.34669 1.0000 + F F1029 1.0 0.42207 0.26910 0.34669 1.0000 + F F1030 1.0 0.46374 0.31076 0.34669 1.0000 + F F1031 1.0 0.50541 0.35243 0.34669 1.0000 + F F1032 1.0 0.54707 0.39410 0.34669 1.0000 + F F1033 1.0 0.13041 0.89410 0.34669 1.0000 + F F1034 1.0 0.17207 0.93576 0.34669 1.0000 + F F1035 1.0 0.21374 0.97743 0.34669 1.0000 + F F1036 1.0 0.25541 0.01910 0.34669 1.0000 + F F1037 1.0 0.29707 0.06076 0.34669 1.0000 + F F1038 1.0 0.33874 0.10243 0.34669 1.0000 + F F1039 1.0 0.38041 0.14410 0.34669 1.0000 + F F1040 1.0 0.42207 0.18576 0.34669 1.0000 + F F1041 1.0 0.46374 0.22743 0.34669 1.0000 + F F1042 1.0 0.50541 0.26910 0.34669 1.0000 + F F1043 1.0 0.54707 0.31076 0.34669 1.0000 + F F1044 1.0 0.58874 0.35243 0.34669 1.0000 + F F1045 1.0 0.17207 0.85243 0.34669 1.0000 + F F1046 1.0 0.21374 0.89410 0.34669 1.0000 + F F1047 1.0 0.25541 0.93576 0.34669 1.0000 + F F1048 1.0 0.29707 0.97743 0.34669 1.0000 + F F1049 1.0 0.33874 0.01910 0.34669 1.0000 + F F1050 1.0 0.38041 0.06076 0.34669 1.0000 + F F1051 1.0 0.42207 0.10243 0.34669 1.0000 + F F1052 1.0 0.46374 0.14410 0.34669 1.0000 + F F1053 1.0 0.50541 0.18576 0.34669 1.0000 + F F1054 1.0 0.54707 0.22743 0.34669 1.0000 + F F1055 1.0 0.58874 0.26910 0.34669 1.0000 + F F1056 1.0 0.63041 0.31076 0.34669 1.0000 + F F1057 1.0 0.21374 0.81076 0.34669 1.0000 + F F1058 1.0 0.25541 0.85243 0.34669 1.0000 + F F1059 1.0 0.29707 0.89410 0.34669 1.0000 + F F1060 1.0 0.33874 0.93576 0.34669 1.0000 + F F1061 1.0 0.38041 0.97743 0.34669 1.0000 + F F1062 1.0 0.42207 0.01910 0.34669 1.0000 + F F1063 1.0 0.46374 0.06076 0.34669 1.0000 + F F1064 1.0 0.50541 0.10243 0.34669 1.0000 + F F1065 1.0 0.54707 0.14410 0.34669 1.0000 + F F1066 1.0 0.58874 0.18576 0.34669 1.0000 + F F1067 1.0 0.63041 0.22743 0.34669 1.0000 + F F1068 1.0 0.67207 0.26910 0.34669 1.0000 + F F1069 1.0 0.25541 0.76910 0.34669 1.0000 + F F1070 1.0 0.29707 0.81076 0.34669 1.0000 + F F1071 1.0 0.33874 0.85243 0.34669 1.0000 + F F1072 1.0 0.38041 0.89410 0.34669 1.0000 + F F1073 1.0 0.42207 0.93576 0.34669 1.0000 + F F1074 1.0 0.46374 0.97743 0.34669 1.0000 + F F1075 1.0 0.50541 0.01910 0.34669 1.0000 + F F1076 1.0 0.54707 0.06076 0.34669 1.0000 + F F1077 1.0 0.58874 0.10243 0.34669 1.0000 + F F1078 1.0 0.63041 0.14410 0.34669 1.0000 + F F1079 1.0 0.67207 0.18576 0.34669 1.0000 + F F1080 1.0 0.71374 0.22743 0.34669 1.0000 + F F1081 1.0 0.29707 0.72743 0.34669 1.0000 + F F1082 1.0 0.33874 0.76910 0.34669 1.0000 + F F1083 1.0 0.38041 0.81076 0.34669 1.0000 + F F1084 1.0 0.42207 0.85243 0.34669 1.0000 + F F1085 1.0 0.46374 0.89410 0.34669 1.0000 + F F1086 1.0 0.50541 0.93576 0.34669 1.0000 + F F1087 1.0 0.54707 0.97743 0.34669 1.0000 + F F1088 1.0 0.58874 0.01910 0.34669 1.0000 + F F1089 1.0 0.63041 0.06076 0.34669 1.0000 + F F1090 1.0 0.67207 0.10243 0.34669 1.0000 + F F1091 1.0 0.71374 0.14410 0.34669 1.0000 + F F1092 1.0 0.75541 0.18576 0.34669 1.0000 + F F1093 1.0 0.33874 0.68576 0.34669 1.0000 + F F1094 1.0 0.38041 0.72743 0.34669 1.0000 + F F1095 1.0 0.42207 0.76910 0.34669 1.0000 + F F1096 1.0 0.46374 0.81076 0.34669 1.0000 + F F1097 1.0 0.50541 0.85243 0.34669 1.0000 + F F1098 1.0 0.54707 0.89410 0.34669 1.0000 + F F1099 1.0 0.58874 0.93576 0.34669 1.0000 + F F1100 1.0 0.63041 0.97743 0.34669 1.0000 + F F1101 1.0 0.67207 0.01910 0.34669 1.0000 + F F1102 1.0 0.71374 0.06076 0.34669 1.0000 + F F1103 1.0 0.75541 0.10243 0.34669 1.0000 + F F1104 1.0 0.79707 0.14410 0.34669 1.0000 + F F1105 1.0 0.38041 0.64410 0.34669 1.0000 + F F1106 1.0 0.42207 0.68576 0.34669 1.0000 + F F1107 1.0 0.46374 0.72743 0.34669 1.0000 + F F1108 1.0 0.50541 0.76910 0.34669 1.0000 + F F1109 1.0 0.54707 0.81076 0.34669 1.0000 + F F1110 1.0 0.58874 0.85243 0.34669 1.0000 + F F1111 1.0 0.63041 0.89410 0.34669 1.0000 + F F1112 1.0 0.67207 0.93576 0.34669 1.0000 + F F1113 1.0 0.71374 0.97743 0.34669 1.0000 + F F1114 1.0 0.75541 0.01910 0.34669 1.0000 + F F1115 1.0 0.79707 0.06076 0.34669 1.0000 + F F1116 1.0 0.83874 0.10243 0.34669 1.0000 + F F1117 1.0 0.42207 0.60243 0.34669 1.0000 + F F1118 1.0 0.46374 0.64410 0.34669 1.0000 + F F1119 1.0 0.50541 0.68576 0.34669 1.0000 + F F1120 1.0 0.54707 0.72743 0.34669 1.0000 + F F1121 1.0 0.58874 0.76910 0.34669 1.0000 + F F1122 1.0 0.63041 0.81076 0.34669 1.0000 + F F1123 1.0 0.67207 0.85243 0.34669 1.0000 + F F1124 1.0 0.71374 0.89410 0.34669 1.0000 + F F1125 1.0 0.75541 0.93576 0.34669 1.0000 + F F1126 1.0 0.79707 0.97743 0.34669 1.0000 + F F1127 1.0 0.83874 0.01910 0.34669 1.0000 + F F1128 1.0 0.88041 0.06076 0.34669 1.0000 + F F1129 1.0 0.46374 0.56076 0.34669 1.0000 + F F1130 1.0 0.50541 0.60243 0.34669 1.0000 + F F1131 1.0 0.54707 0.64410 0.34669 1.0000 + F F1132 1.0 0.58874 0.68576 0.34669 1.0000 + F F1133 1.0 0.63041 0.72743 0.34669 1.0000 + F F1134 1.0 0.67207 0.76910 0.34669 1.0000 + F F1135 1.0 0.71374 0.81076 0.34669 1.0000 + F F1136 1.0 0.75541 0.85243 0.34669 1.0000 + F F1137 1.0 0.79707 0.89410 0.34669 1.0000 + F F1138 1.0 0.83874 0.93576 0.34669 1.0000 + F F1139 1.0 0.88041 0.97743 0.34669 1.0000 + F F1140 1.0 0.92207 0.01910 0.34669 1.0000 + F F1141 1.0 0.50541 0.51910 0.34669 1.0000 + F F1142 1.0 0.54707 0.56076 0.34669 1.0000 + F F1143 1.0 0.58874 0.60243 0.34669 1.0000 + F F1144 1.0 0.63041 0.64410 0.34669 1.0000 + F F1145 1.0 0.67207 0.68576 0.34669 1.0000 + F F1146 1.0 0.71374 0.72743 0.34669 1.0000 + F F1147 1.0 0.75541 0.76910 0.34669 1.0000 + F F1148 1.0 0.79707 0.81076 0.34669 1.0000 + F F1149 1.0 0.83874 0.85243 0.34669 1.0000 + F F1150 1.0 0.88041 0.89410 0.34669 1.0000 + F F1151 1.0 0.92207 0.93576 0.34669 1.0000 + F F1152 1.0 0.96374 0.97743 0.34669 1.0000 + Mn Mn433 1.0 0.53526 0.52029 0.49988 1.0000 + Mn Mn434 1.0 0.57693 0.56196 0.49988 1.0000 + Mn Mn435 1.0 0.61860 0.60362 0.49988 1.0000 + Mn Mn436 1.0 0.66026 0.64529 0.49988 1.0000 + Mn Mn437 1.0 0.70193 0.68696 0.49988 1.0000 + Mn Mn438 1.0 0.74360 0.72862 0.49988 1.0000 + Mn Mn439 1.0 0.78526 0.77029 0.49988 1.0000 + Mn Mn440 1.0 0.82693 0.81196 0.49988 1.0000 + Mn Mn441 1.0 0.86860 0.85362 0.49988 1.0000 + Mn Mn442 1.0 0.91026 0.89529 0.49988 1.0000 + Mn Mn443 1.0 0.95193 0.93696 0.49988 1.0000 + Mn Mn444 1.0 0.99360 0.97862 0.49988 1.0000 + Mn Mn445 1.0 0.57693 0.47862 0.49988 1.0000 + Mn Mn446 1.0 0.61860 0.52029 0.49988 1.0000 + Mn Mn447 1.0 0.66026 0.56196 0.49988 1.0000 + Mn Mn448 1.0 0.70193 0.60362 0.49988 1.0000 + Mn Mn449 1.0 0.74360 0.64529 0.49988 1.0000 + Mn Mn450 1.0 0.78526 0.68696 0.49988 1.0000 + Mn Mn451 1.0 0.82693 0.72862 0.49988 1.0000 + Mn Mn452 1.0 0.86860 0.77029 0.49988 1.0000 + Mn Mn453 1.0 0.91026 0.81196 0.49988 1.0000 + Mn Mn454 1.0 0.95193 0.85362 0.49988 1.0000 + Mn Mn455 1.0 0.99360 0.89529 0.49988 1.0000 + Mn Mn456 1.0 0.03526 0.93696 0.49988 1.0000 + Mn Mn457 1.0 0.61860 0.43696 0.49988 1.0000 + Mn Mn458 1.0 0.66026 0.47862 0.49988 1.0000 + Mn Mn459 1.0 0.70193 0.52029 0.49988 1.0000 + Mn Mn460 1.0 0.74360 0.56196 0.49988 1.0000 + Mn Mn461 1.0 0.78526 0.60362 0.49988 1.0000 + Mn Mn462 1.0 0.82693 0.64529 0.49988 1.0000 + Mn Mn463 1.0 0.86860 0.68696 0.49988 1.0000 + Mn Mn464 1.0 0.91026 0.72862 0.49988 1.0000 + Mn Mn465 1.0 0.95193 0.77029 0.49988 1.0000 + Mn Mn466 1.0 0.99360 0.81196 0.49988 1.0000 + Mn Mn467 1.0 0.03526 0.85362 0.49988 1.0000 + Mn Mn468 1.0 0.07693 0.89529 0.49988 1.0000 + Mn Mn469 1.0 0.66026 0.39529 0.49988 1.0000 + Mn Mn470 1.0 0.70193 0.43696 0.49988 1.0000 + Mn Mn471 1.0 0.74360 0.47862 0.49988 1.0000 + Mn Mn472 1.0 0.78526 0.52029 0.49988 1.0000 + Mn Mn473 1.0 0.82693 0.56196 0.49988 1.0000 + Mn Mn474 1.0 0.86860 0.60362 0.49988 1.0000 + Mn Mn475 1.0 0.91026 0.64529 0.49988 1.0000 + Mn Mn476 1.0 0.95193 0.68696 0.49988 1.0000 + Mn Mn477 1.0 0.99360 0.72862 0.49988 1.0000 + Mn Mn478 1.0 0.03526 0.77029 0.49988 1.0000 + Mn Mn479 1.0 0.07693 0.81196 0.49988 1.0000 + Mn Mn480 1.0 0.11860 0.85362 0.49988 1.0000 + Mn Mn481 1.0 0.70193 0.35362 0.49988 1.0000 + Mn Mn482 1.0 0.74360 0.39529 0.49988 1.0000 + Mn Mn483 1.0 0.78526 0.43696 0.49988 1.0000 + Mn Mn484 1.0 0.82693 0.47862 0.49988 1.0000 + Mn Mn485 1.0 0.86860 0.52029 0.49988 1.0000 + Mn Mn486 1.0 0.91026 0.56196 0.49988 1.0000 + Mn Mn487 1.0 0.95193 0.60362 0.49988 1.0000 + Mn Mn488 1.0 0.99360 0.64529 0.49988 1.0000 + Mn Mn489 1.0 0.03526 0.68696 0.49988 1.0000 + Mn Mn490 1.0 0.07693 0.72862 0.49988 1.0000 + Mn Mn491 1.0 0.11860 0.77029 0.49988 1.0000 + Mn Mn492 1.0 0.16026 0.81196 0.49988 1.0000 + Mn Mn493 1.0 0.74360 0.31196 0.49988 1.0000 + Mn Mn494 1.0 0.78526 0.35362 0.49988 1.0000 + Mn Mn495 1.0 0.82693 0.39529 0.49988 1.0000 + Mn Mn496 1.0 0.86860 0.43696 0.49988 1.0000 + Mn Mn497 1.0 0.91026 0.47862 0.49988 1.0000 + Mn Mn498 1.0 0.95193 0.52029 0.49988 1.0000 + Mn Mn499 1.0 0.99360 0.56196 0.49988 1.0000 + Mn Mn500 1.0 0.03526 0.60362 0.49988 1.0000 + Mn Mn501 1.0 0.07693 0.64529 0.49988 1.0000 + Mn Mn502 1.0 0.11860 0.68696 0.49988 1.0000 + Mn Mn503 1.0 0.16026 0.72862 0.49988 1.0000 + Mn Mn504 1.0 0.20193 0.77029 0.49988 1.0000 + Mn Mn505 1.0 0.78526 0.27029 0.49988 1.0000 + Mn Mn506 1.0 0.82693 0.31196 0.49988 1.0000 + Mn Mn507 1.0 0.86860 0.35362 0.49988 1.0000 + Mn Mn508 1.0 0.91026 0.39529 0.49988 1.0000 + Mn Mn509 1.0 0.95193 0.43696 0.49988 1.0000 + Mn Mn510 1.0 0.99360 0.47862 0.49988 1.0000 + Mn Mn511 1.0 0.03526 0.52029 0.49988 1.0000 + Mn Mn512 1.0 0.07693 0.56196 0.49988 1.0000 + Mn Mn513 1.0 0.11860 0.60362 0.49988 1.0000 + Mn Mn514 1.0 0.16026 0.64529 0.49988 1.0000 + Mn Mn515 1.0 0.20193 0.68696 0.49988 1.0000 + Mn Mn516 1.0 0.24360 0.72862 0.49988 1.0000 + Mn Mn517 1.0 0.82693 0.22862 0.49988 1.0000 + Mn Mn518 1.0 0.86860 0.27029 0.49988 1.0000 + Mn Mn519 1.0 0.91026 0.31196 0.49988 1.0000 + Mn Mn520 1.0 0.95193 0.35362 0.49988 1.0000 + Mn Mn521 1.0 0.99360 0.39529 0.49988 1.0000 + Mn Mn522 1.0 0.03526 0.43696 0.49988 1.0000 + Mn Mn523 1.0 0.07693 0.47862 0.49988 1.0000 + Mn Mn524 1.0 0.11860 0.52029 0.49988 1.0000 + Mn Mn525 1.0 0.16026 0.56196 0.49988 1.0000 + Mn Mn526 1.0 0.20193 0.60362 0.49988 1.0000 + Mn Mn527 1.0 0.24360 0.64529 0.49988 1.0000 + Mn Mn528 1.0 0.28526 0.68696 0.49988 1.0000 + Mn Mn529 1.0 0.86860 0.18696 0.49988 1.0000 + Mn Mn530 1.0 0.91026 0.22862 0.49988 1.0000 + Mn Mn531 1.0 0.95193 0.27029 0.49988 1.0000 + Mn Mn532 1.0 0.99360 0.31196 0.49988 1.0000 + Mn Mn533 1.0 0.03526 0.35362 0.49988 1.0000 + Mn Mn534 1.0 0.07693 0.39529 0.49988 1.0000 + Mn Mn535 1.0 0.11860 0.43696 0.49988 1.0000 + Mn Mn536 1.0 0.16026 0.47862 0.49988 1.0000 + Mn Mn537 1.0 0.20193 0.52029 0.49988 1.0000 + Mn Mn538 1.0 0.24360 0.56196 0.49988 1.0000 + Mn Mn539 1.0 0.28526 0.60362 0.49988 1.0000 + Mn Mn540 1.0 0.32693 0.64529 0.49988 1.0000 + Mn Mn541 1.0 0.91026 0.14529 0.49988 1.0000 + Mn Mn542 1.0 0.95193 0.18696 0.49988 1.0000 + Mn Mn543 1.0 0.99360 0.22862 0.49988 1.0000 + Mn Mn544 1.0 0.03526 0.27029 0.49988 1.0000 + Mn Mn545 1.0 0.07693 0.31196 0.49988 1.0000 + Mn Mn546 1.0 0.11860 0.35362 0.49988 1.0000 + Mn Mn547 1.0 0.16026 0.39529 0.49988 1.0000 + Mn Mn548 1.0 0.20193 0.43696 0.49988 1.0000 + Mn Mn549 1.0 0.24360 0.47862 0.49988 1.0000 + Mn Mn550 1.0 0.28526 0.52029 0.49988 1.0000 + Mn Mn551 1.0 0.32693 0.56196 0.49988 1.0000 + Mn Mn552 1.0 0.36860 0.60362 0.49988 1.0000 + Mn Mn553 1.0 0.95193 0.10362 0.49988 1.0000 + Mn Mn554 1.0 0.99360 0.14529 0.49988 1.0000 + Mn Mn555 1.0 0.03526 0.18696 0.49988 1.0000 + Mn Mn556 1.0 0.07693 0.22862 0.49988 1.0000 + Mn Mn557 1.0 0.11860 0.27029 0.49988 1.0000 + Mn Mn558 1.0 0.16026 0.31196 0.49988 1.0000 + Mn Mn559 1.0 0.20193 0.35362 0.49988 1.0000 + Mn Mn560 1.0 0.24360 0.39529 0.49988 1.0000 + Mn Mn561 1.0 0.28526 0.43696 0.49988 1.0000 + Mn Mn562 1.0 0.32693 0.47862 0.49988 1.0000 + Mn Mn563 1.0 0.36860 0.52029 0.49988 1.0000 + Mn Mn564 1.0 0.41026 0.56196 0.49988 1.0000 + Mn Mn565 1.0 0.99360 0.06196 0.49988 1.0000 + Mn Mn566 1.0 0.03526 0.10362 0.49988 1.0000 + Mn Mn567 1.0 0.07693 0.14529 0.49988 1.0000 + Mn Mn568 1.0 0.11860 0.18696 0.49988 1.0000 + Mn Mn569 1.0 0.16026 0.22862 0.49988 1.0000 + Mn Mn570 1.0 0.20193 0.27029 0.49988 1.0000 + Mn Mn571 1.0 0.24360 0.31196 0.49988 1.0000 + Mn Mn572 1.0 0.28526 0.35362 0.49988 1.0000 + Mn Mn573 1.0 0.32693 0.39529 0.49988 1.0000 + Mn Mn574 1.0 0.36860 0.43696 0.49988 1.0000 + Mn Mn575 1.0 0.41026 0.47862 0.49988 1.0000 + Mn Mn576 1.0 0.45193 0.52029 0.49988 1.0000 + Mn Mn577 1.0 0.53527 0.47862 0.50002 1.0000 + Mn Mn578 1.0 0.57694 0.52029 0.50002 1.0000 + Mn Mn579 1.0 0.61860 0.56196 0.50002 1.0000 + Mn Mn580 1.0 0.66027 0.60362 0.50002 1.0000 + Mn Mn581 1.0 0.70194 0.64529 0.50002 1.0000 + Mn Mn582 1.0 0.74360 0.68696 0.50002 1.0000 + Mn Mn583 1.0 0.78527 0.72862 0.50002 1.0000 + Mn Mn584 1.0 0.82694 0.77029 0.50002 1.0000 + Mn Mn585 1.0 0.86860 0.81196 0.50002 1.0000 + Mn Mn586 1.0 0.91027 0.85362 0.50002 1.0000 + Mn Mn587 1.0 0.95194 0.89529 0.50002 1.0000 + Mn Mn588 1.0 0.99360 0.93696 0.50002 1.0000 + Mn Mn589 1.0 0.57694 0.43696 0.50002 1.0000 + Mn Mn590 1.0 0.61860 0.47862 0.50002 1.0000 + Mn Mn591 1.0 0.66027 0.52029 0.50002 1.0000 + Mn Mn592 1.0 0.70194 0.56196 0.50002 1.0000 + Mn Mn593 1.0 0.74360 0.60362 0.50002 1.0000 + Mn Mn594 1.0 0.78527 0.64529 0.50002 1.0000 + Mn Mn595 1.0 0.82694 0.68696 0.50002 1.0000 + Mn Mn596 1.0 0.86860 0.72862 0.50002 1.0000 + Mn Mn597 1.0 0.91027 0.77029 0.50002 1.0000 + Mn Mn598 1.0 0.95194 0.81196 0.50002 1.0000 + Mn Mn599 1.0 0.99360 0.85362 0.50002 1.0000 + Mn Mn600 1.0 0.03527 0.89529 0.50002 1.0000 + Mn Mn601 1.0 0.61860 0.39529 0.50002 1.0000 + Mn Mn602 1.0 0.66027 0.43696 0.50002 1.0000 + Mn Mn603 1.0 0.70194 0.47862 0.50002 1.0000 + Mn Mn604 1.0 0.74360 0.52029 0.50002 1.0000 + Mn Mn605 1.0 0.78527 0.56196 0.50002 1.0000 + Mn Mn606 1.0 0.82694 0.60362 0.50002 1.0000 + Mn Mn607 1.0 0.86860 0.64529 0.50002 1.0000 + Mn Mn608 1.0 0.91027 0.68696 0.50002 1.0000 + Mn Mn609 1.0 0.95194 0.72862 0.50002 1.0000 + Mn Mn610 1.0 0.99360 0.77029 0.50002 1.0000 + Mn Mn611 1.0 0.03527 0.81196 0.50002 1.0000 + Mn Mn612 1.0 0.07694 0.85362 0.50002 1.0000 + Mn Mn613 1.0 0.66027 0.35362 0.50002 1.0000 + Mn Mn614 1.0 0.70194 0.39529 0.50002 1.0000 + Mn Mn615 1.0 0.74360 0.43696 0.50002 1.0000 + Mn Mn616 1.0 0.78527 0.47862 0.50002 1.0000 + Mn Mn617 1.0 0.82694 0.52029 0.50002 1.0000 + Mn Mn618 1.0 0.86860 0.56196 0.50002 1.0000 + Mn Mn619 1.0 0.91027 0.60362 0.50002 1.0000 + Mn Mn620 1.0 0.95194 0.64529 0.50002 1.0000 + Mn Mn621 1.0 0.99360 0.68696 0.50002 1.0000 + Mn Mn622 1.0 0.03527 0.72862 0.50002 1.0000 + Mn Mn623 1.0 0.07694 0.77029 0.50002 1.0000 + Mn Mn624 1.0 0.11860 0.81196 0.50002 1.0000 + Mn Mn625 1.0 0.70194 0.31196 0.50002 1.0000 + Mn Mn626 1.0 0.74360 0.35362 0.50002 1.0000 + Mn Mn627 1.0 0.78527 0.39529 0.50002 1.0000 + Mn Mn628 1.0 0.82694 0.43696 0.50002 1.0000 + Mn Mn629 1.0 0.86860 0.47862 0.50002 1.0000 + Mn Mn630 1.0 0.91027 0.52029 0.50002 1.0000 + Mn Mn631 1.0 0.95194 0.56196 0.50002 1.0000 + Mn Mn632 1.0 0.99360 0.60362 0.50002 1.0000 + Mn Mn633 1.0 0.03527 0.64529 0.50002 1.0000 + Mn Mn634 1.0 0.07694 0.68696 0.50002 1.0000 + Mn Mn635 1.0 0.11860 0.72862 0.50002 1.0000 + Mn Mn636 1.0 0.16027 0.77029 0.50002 1.0000 + Mn Mn637 1.0 0.74360 0.27029 0.50002 1.0000 + Mn Mn638 1.0 0.78527 0.31196 0.50002 1.0000 + Mn Mn639 1.0 0.82694 0.35362 0.50002 1.0000 + Mn Mn640 1.0 0.86860 0.39529 0.50002 1.0000 + Mn Mn641 1.0 0.91027 0.43696 0.50002 1.0000 + Mn Mn642 1.0 0.95194 0.47862 0.50002 1.0000 + Mn Mn643 1.0 0.99360 0.52029 0.50002 1.0000 + Mn Mn644 1.0 0.03527 0.56196 0.50002 1.0000 + Mn Mn645 1.0 0.07694 0.60362 0.50002 1.0000 + Mn Mn646 1.0 0.11860 0.64529 0.50002 1.0000 + Mn Mn647 1.0 0.16027 0.68696 0.50002 1.0000 + Mn Mn648 1.0 0.20194 0.72862 0.50002 1.0000 + Mn Mn649 1.0 0.78527 0.22862 0.50002 1.0000 + Mn Mn650 1.0 0.82694 0.27029 0.50002 1.0000 + Mn Mn651 1.0 0.86860 0.31196 0.50002 1.0000 + Mn Mn652 1.0 0.91027 0.35362 0.50002 1.0000 + Mn Mn653 1.0 0.95194 0.39529 0.50002 1.0000 + Mn Mn654 1.0 0.99360 0.43696 0.50002 1.0000 + Mn Mn655 1.0 0.03527 0.47862 0.50002 1.0000 + Mn Mn656 1.0 0.07694 0.52029 0.50002 1.0000 + Mn Mn657 1.0 0.11860 0.56196 0.50002 1.0000 + Mn Mn658 1.0 0.16027 0.60362 0.50002 1.0000 + Mn Mn659 1.0 0.20194 0.64529 0.50002 1.0000 + Mn Mn660 1.0 0.24360 0.68696 0.50002 1.0000 + Mn Mn661 1.0 0.82694 0.18696 0.50002 1.0000 + Mn Mn662 1.0 0.86860 0.22862 0.50002 1.0000 + Mn Mn663 1.0 0.91027 0.27029 0.50002 1.0000 + Mn Mn664 1.0 0.95194 0.31196 0.50002 1.0000 + Mn Mn665 1.0 0.99360 0.35362 0.50002 1.0000 + Mn Mn666 1.0 0.03527 0.39529 0.50002 1.0000 + Mn Mn667 1.0 0.07694 0.43696 0.50002 1.0000 + Mn Mn668 1.0 0.11860 0.47862 0.50002 1.0000 + Mn Mn669 1.0 0.16027 0.52029 0.50002 1.0000 + Mn Mn670 1.0 0.20194 0.56196 0.50002 1.0000 + Mn Mn671 1.0 0.24360 0.60362 0.50002 1.0000 + Mn Mn672 1.0 0.28527 0.64529 0.50002 1.0000 + Mn Mn673 1.0 0.86860 0.14529 0.50002 1.0000 + Mn Mn674 1.0 0.91027 0.18696 0.50002 1.0000 + Mn Mn675 1.0 0.95194 0.22862 0.50002 1.0000 + Mn Mn676 1.0 0.99360 0.27029 0.50002 1.0000 + Mn Mn677 1.0 0.03527 0.31196 0.50002 1.0000 + Mn Mn678 1.0 0.07694 0.35362 0.50002 1.0000 + Mn Mn679 1.0 0.11860 0.39529 0.50002 1.0000 + Mn Mn680 1.0 0.16027 0.43696 0.50002 1.0000 + Mn Mn681 1.0 0.20194 0.47862 0.50002 1.0000 + Mn Mn682 1.0 0.24360 0.52029 0.50002 1.0000 + Mn Mn683 1.0 0.28527 0.56196 0.50002 1.0000 + Mn Mn684 1.0 0.32694 0.60362 0.50002 1.0000 + Mn Mn685 1.0 0.91027 0.10362 0.50002 1.0000 + Mn Mn686 1.0 0.95194 0.14529 0.50002 1.0000 + Mn Mn687 1.0 0.99360 0.18696 0.50002 1.0000 + Mn Mn688 1.0 0.03527 0.22862 0.50002 1.0000 + Mn Mn689 1.0 0.07694 0.27029 0.50002 1.0000 + Mn Mn690 1.0 0.11860 0.31196 0.50002 1.0000 + Mn Mn691 1.0 0.16027 0.35362 0.50002 1.0000 + Mn Mn692 1.0 0.20194 0.39529 0.50002 1.0000 + Mn Mn693 1.0 0.24360 0.43696 0.50002 1.0000 + Mn Mn694 1.0 0.28527 0.47862 0.50002 1.0000 + Mn Mn695 1.0 0.32694 0.52029 0.50002 1.0000 + Mn Mn696 1.0 0.36860 0.56196 0.50002 1.0000 + Mn Mn697 1.0 0.95194 0.06196 0.50002 1.0000 + Mn Mn698 1.0 0.99360 0.10362 0.50002 1.0000 + Mn Mn699 1.0 0.03527 0.14529 0.50002 1.0000 + Mn Mn700 1.0 0.07694 0.18696 0.50002 1.0000 + Mn Mn701 1.0 0.11860 0.22862 0.50002 1.0000 + Mn Mn702 1.0 0.16027 0.27029 0.50002 1.0000 + Mn Mn703 1.0 0.20194 0.31196 0.50002 1.0000 + Mn Mn704 1.0 0.24360 0.35362 0.50002 1.0000 + Mn Mn705 1.0 0.28527 0.39529 0.50002 1.0000 + Mn Mn706 1.0 0.32694 0.43696 0.50002 1.0000 + Mn Mn707 1.0 0.36860 0.47862 0.50002 1.0000 + Mn Mn708 1.0 0.41027 0.52029 0.50002 1.0000 + Mn Mn709 1.0 0.99360 0.02029 0.50002 1.0000 + Mn Mn710 1.0 0.03527 0.06196 0.50002 1.0000 + Mn Mn711 1.0 0.07694 0.10362 0.50002 1.0000 + Mn Mn712 1.0 0.11860 0.14529 0.50002 1.0000 + Mn Mn713 1.0 0.16027 0.18696 0.50002 1.0000 + Mn Mn714 1.0 0.20194 0.22862 0.50002 1.0000 + Mn Mn715 1.0 0.24360 0.27029 0.50002 1.0000 + Mn Mn716 1.0 0.28527 0.31196 0.50002 1.0000 + Mn Mn717 1.0 0.32694 0.35362 0.50002 1.0000 + Mn Mn718 1.0 0.36860 0.39529 0.50002 1.0000 + Mn Mn719 1.0 0.41027 0.43696 0.50002 1.0000 + Mn Mn720 1.0 0.45194 0.47862 0.50002 1.0000 + Mn Mn721 1.0 0.51443 0.49946 0.50007 1.0000 + Mn Mn722 1.0 0.55610 0.54113 0.50007 1.0000 + Mn Mn723 1.0 0.59777 0.58280 0.50007 1.0000 + Mn Mn724 1.0 0.63943 0.62446 0.50007 1.0000 + Mn Mn725 1.0 0.68110 0.66613 0.50007 1.0000 + Mn Mn726 1.0 0.72277 0.70780 0.50007 1.0000 + Mn Mn727 1.0 0.76443 0.74946 0.50007 1.0000 + Mn Mn728 1.0 0.80610 0.79113 0.50007 1.0000 + Mn Mn729 1.0 0.84777 0.83280 0.50007 1.0000 + Mn Mn730 1.0 0.88943 0.87446 0.50007 1.0000 + Mn Mn731 1.0 0.93110 0.91613 0.50007 1.0000 + Mn Mn732 1.0 0.97277 0.95780 0.50007 1.0000 + Mn Mn733 1.0 0.55610 0.45780 0.50007 1.0000 + Mn Mn734 1.0 0.59777 0.49946 0.50007 1.0000 + Mn Mn735 1.0 0.63943 0.54113 0.50007 1.0000 + Mn Mn736 1.0 0.68110 0.58280 0.50007 1.0000 + Mn Mn737 1.0 0.72277 0.62446 0.50007 1.0000 + Mn Mn738 1.0 0.76443 0.66613 0.50007 1.0000 + Mn Mn739 1.0 0.80610 0.70780 0.50007 1.0000 + Mn Mn740 1.0 0.84777 0.74946 0.50007 1.0000 + Mn Mn741 1.0 0.88943 0.79113 0.50007 1.0000 + Mn Mn742 1.0 0.93110 0.83280 0.50007 1.0000 + Mn Mn743 1.0 0.97277 0.87446 0.50007 1.0000 + Mn Mn744 1.0 0.01443 0.91613 0.50007 1.0000 + Mn Mn745 1.0 0.59777 0.41613 0.50007 1.0000 + Mn Mn746 1.0 0.63943 0.45780 0.50007 1.0000 + Mn Mn747 1.0 0.68110 0.49946 0.50007 1.0000 + Mn Mn748 1.0 0.72277 0.54113 0.50007 1.0000 + Mn Mn749 1.0 0.76443 0.58280 0.50007 1.0000 + Mn Mn750 1.0 0.80610 0.62446 0.50007 1.0000 + Mn Mn751 1.0 0.84777 0.66613 0.50007 1.0000 + Mn Mn752 1.0 0.88943 0.70780 0.50007 1.0000 + Mn Mn753 1.0 0.93110 0.74946 0.50007 1.0000 + Mn Mn754 1.0 0.97277 0.79113 0.50007 1.0000 + Mn Mn755 1.0 0.01443 0.83280 0.50007 1.0000 + Mn Mn756 1.0 0.05610 0.87446 0.50007 1.0000 + Mn Mn757 1.0 0.63943 0.37446 0.50007 1.0000 + Mn Mn758 1.0 0.68110 0.41613 0.50007 1.0000 + Mn Mn759 1.0 0.72277 0.45780 0.50007 1.0000 + Mn Mn760 1.0 0.76443 0.49946 0.50007 1.0000 + Mn Mn761 1.0 0.80610 0.54113 0.50007 1.0000 + Mn Mn762 1.0 0.84777 0.58280 0.50007 1.0000 + Mn Mn763 1.0 0.88943 0.62446 0.50007 1.0000 + Mn Mn764 1.0 0.93110 0.66613 0.50007 1.0000 + Mn Mn765 1.0 0.97277 0.70780 0.50007 1.0000 + Mn Mn766 1.0 0.01443 0.74946 0.50007 1.0000 + Mn Mn767 1.0 0.05610 0.79113 0.50007 1.0000 + Mn Mn768 1.0 0.09777 0.83280 0.50007 1.0000 + Mn Mn769 1.0 0.68110 0.33280 0.50007 1.0000 + Mn Mn770 1.0 0.72277 0.37446 0.50007 1.0000 + Mn Mn771 1.0 0.76443 0.41613 0.50007 1.0000 + Mn Mn772 1.0 0.80610 0.45780 0.50007 1.0000 + Mn Mn773 1.0 0.84777 0.49946 0.50007 1.0000 + Mn Mn774 1.0 0.88943 0.54113 0.50007 1.0000 + Mn Mn775 1.0 0.93110 0.58280 0.50007 1.0000 + Mn Mn776 1.0 0.97277 0.62446 0.50007 1.0000 + Mn Mn777 1.0 0.01443 0.66613 0.50007 1.0000 + Mn Mn778 1.0 0.05610 0.70780 0.50007 1.0000 + Mn Mn779 1.0 0.09777 0.74946 0.50007 1.0000 + Mn Mn780 1.0 0.13943 0.79113 0.50007 1.0000 + Mn Mn781 1.0 0.72277 0.29113 0.50007 1.0000 + Mn Mn782 1.0 0.76443 0.33280 0.50007 1.0000 + Mn Mn783 1.0 0.80610 0.37446 0.50007 1.0000 + Mn Mn784 1.0 0.84777 0.41613 0.50007 1.0000 + Mn Mn785 1.0 0.88943 0.45780 0.50007 1.0000 + Mn Mn786 1.0 0.93110 0.49946 0.50007 1.0000 + Mn Mn787 1.0 0.97277 0.54113 0.50007 1.0000 + Mn Mn788 1.0 0.01443 0.58280 0.50007 1.0000 + Mn Mn789 1.0 0.05610 0.62446 0.50007 1.0000 + Mn Mn790 1.0 0.09777 0.66613 0.50007 1.0000 + Mn Mn791 1.0 0.13943 0.70780 0.50007 1.0000 + Mn Mn792 1.0 0.18110 0.74946 0.50007 1.0000 + Mn Mn793 1.0 0.76443 0.24946 0.50007 1.0000 + Mn Mn794 1.0 0.80610 0.29113 0.50007 1.0000 + Mn Mn795 1.0 0.84777 0.33280 0.50007 1.0000 + Mn Mn796 1.0 0.88943 0.37446 0.50007 1.0000 + Mn Mn797 1.0 0.93110 0.41613 0.50007 1.0000 + Mn Mn798 1.0 0.97277 0.45780 0.50007 1.0000 + Mn Mn799 1.0 0.01443 0.49946 0.50007 1.0000 + Mn Mn800 1.0 0.05610 0.54113 0.50007 1.0000 + Mn Mn801 1.0 0.09777 0.58280 0.50007 1.0000 + Mn Mn802 1.0 0.13943 0.62446 0.50007 1.0000 + Mn Mn803 1.0 0.18110 0.66613 0.50007 1.0000 + Mn Mn804 1.0 0.22277 0.70780 0.50007 1.0000 + Mn Mn805 1.0 0.80610 0.20780 0.50007 1.0000 + Mn Mn806 1.0 0.84777 0.24946 0.50007 1.0000 + Mn Mn807 1.0 0.88943 0.29113 0.50007 1.0000 + Mn Mn808 1.0 0.93110 0.33280 0.50007 1.0000 + Mn Mn809 1.0 0.97277 0.37446 0.50007 1.0000 + Mn Mn810 1.0 0.01443 0.41613 0.50007 1.0000 + Mn Mn811 1.0 0.05610 0.45780 0.50007 1.0000 + Mn Mn812 1.0 0.09777 0.49946 0.50007 1.0000 + Mn Mn813 1.0 0.13943 0.54113 0.50007 1.0000 + Mn Mn814 1.0 0.18110 0.58280 0.50007 1.0000 + Mn Mn815 1.0 0.22277 0.62446 0.50007 1.0000 + Mn Mn816 1.0 0.26443 0.66613 0.50007 1.0000 + Mn Mn817 1.0 0.84777 0.16613 0.50007 1.0000 + Mn Mn818 1.0 0.88943 0.20780 0.50007 1.0000 + Mn Mn819 1.0 0.93110 0.24946 0.50007 1.0000 + Mn Mn820 1.0 0.97277 0.29113 0.50007 1.0000 + Mn Mn821 1.0 0.01443 0.33280 0.50007 1.0000 + Mn Mn822 1.0 0.05610 0.37446 0.50007 1.0000 + Mn Mn823 1.0 0.09777 0.41613 0.50007 1.0000 + Mn Mn824 1.0 0.13943 0.45780 0.50007 1.0000 + Mn Mn825 1.0 0.18110 0.49946 0.50007 1.0000 + Mn Mn826 1.0 0.22277 0.54113 0.50007 1.0000 + Mn Mn827 1.0 0.26443 0.58280 0.50007 1.0000 + Mn Mn828 1.0 0.30610 0.62446 0.50007 1.0000 + Mn Mn829 1.0 0.88943 0.12446 0.50007 1.0000 + Mn Mn830 1.0 0.93110 0.16613 0.50007 1.0000 + Mn Mn831 1.0 0.97277 0.20780 0.50007 1.0000 + Mn Mn832 1.0 0.01443 0.24946 0.50007 1.0000 + Mn Mn833 1.0 0.05610 0.29113 0.50007 1.0000 + Mn Mn834 1.0 0.09777 0.33280 0.50007 1.0000 + Mn Mn835 1.0 0.13943 0.37446 0.50007 1.0000 + Mn Mn836 1.0 0.18110 0.41613 0.50007 1.0000 + Mn Mn837 1.0 0.22277 0.45780 0.50007 1.0000 + Mn Mn838 1.0 0.26443 0.49946 0.50007 1.0000 + Mn Mn839 1.0 0.30610 0.54113 0.50007 1.0000 + Mn Mn840 1.0 0.34777 0.58280 0.50007 1.0000 + Mn Mn841 1.0 0.93110 0.08280 0.50007 1.0000 + Mn Mn842 1.0 0.97277 0.12446 0.50007 1.0000 + Mn Mn843 1.0 0.01443 0.16613 0.50007 1.0000 + Mn Mn844 1.0 0.05610 0.20780 0.50007 1.0000 + Mn Mn845 1.0 0.09777 0.24946 0.50007 1.0000 + Mn Mn846 1.0 0.13943 0.29113 0.50007 1.0000 + Mn Mn847 1.0 0.18110 0.33280 0.50007 1.0000 + Mn Mn848 1.0 0.22277 0.37446 0.50007 1.0000 + Mn Mn849 1.0 0.26443 0.41613 0.50007 1.0000 + Mn Mn850 1.0 0.30610 0.45780 0.50007 1.0000 + Mn Mn851 1.0 0.34777 0.49946 0.50007 1.0000 + Mn Mn852 1.0 0.38943 0.54113 0.50007 1.0000 + Mn Mn853 1.0 0.97277 0.04113 0.50007 1.0000 + Mn Mn854 1.0 0.01443 0.08280 0.50007 1.0000 + Mn Mn855 1.0 0.05610 0.12446 0.50007 1.0000 + Mn Mn856 1.0 0.09777 0.16613 0.50007 1.0000 + Mn Mn857 1.0 0.13943 0.20780 0.50007 1.0000 + Mn Mn858 1.0 0.18110 0.24946 0.50007 1.0000 + Mn Mn859 1.0 0.22277 0.29113 0.50007 1.0000 + Mn Mn860 1.0 0.26443 0.33280 0.50007 1.0000 + Mn Mn861 1.0 0.30610 0.37446 0.50007 1.0000 + Mn Mn862 1.0 0.34777 0.41613 0.50007 1.0000 + Mn Mn863 1.0 0.38943 0.45780 0.50007 1.0000 + Mn Mn864 1.0 0.43110 0.49946 0.50007 1.0000 + F F1153 1.0 0.50040 0.50035 0.67884 1.0000 + F F1154 1.0 0.54207 0.54202 0.67884 1.0000 + F F1155 1.0 0.58373 0.58369 0.67884 1.0000 + F F1156 1.0 0.62540 0.62535 0.67884 1.0000 + F F1157 1.0 0.66707 0.66702 0.67884 1.0000 + F F1158 1.0 0.70873 0.70869 0.67884 1.0000 + F F1159 1.0 0.75040 0.75035 0.67884 1.0000 + F F1160 1.0 0.79207 0.79202 0.67884 1.0000 + F F1161 1.0 0.83373 0.83369 0.67884 1.0000 + F F1162 1.0 0.87540 0.87535 0.67884 1.0000 + F F1163 1.0 0.91707 0.91702 0.67884 1.0000 + F F1164 1.0 0.95873 0.95869 0.67884 1.0000 + F F1165 1.0 0.54207 0.45869 0.67884 1.0000 + F F1166 1.0 0.58373 0.50035 0.67884 1.0000 + F F1167 1.0 0.62540 0.54202 0.67884 1.0000 + F F1168 1.0 0.66707 0.58369 0.67884 1.0000 + F F1169 1.0 0.70873 0.62535 0.67884 1.0000 + F F1170 1.0 0.75040 0.66702 0.67884 1.0000 + F F1171 1.0 0.79207 0.70869 0.67884 1.0000 + F F1172 1.0 0.83373 0.75035 0.67884 1.0000 + F F1173 1.0 0.87540 0.79202 0.67884 1.0000 + F F1174 1.0 0.91707 0.83369 0.67884 1.0000 + F F1175 1.0 0.95873 0.87535 0.67884 1.0000 + F F1176 1.0 0.00040 0.91702 0.67884 1.0000 + F F1177 1.0 0.58373 0.41702 0.67884 1.0000 + F F1178 1.0 0.62540 0.45869 0.67884 1.0000 + F F1179 1.0 0.66707 0.50035 0.67884 1.0000 + F F1180 1.0 0.70873 0.54202 0.67884 1.0000 + F F1181 1.0 0.75040 0.58369 0.67884 1.0000 + F F1182 1.0 0.79207 0.62535 0.67884 1.0000 + F F1183 1.0 0.83373 0.66702 0.67884 1.0000 + F F1184 1.0 0.87540 0.70869 0.67884 1.0000 + F F1185 1.0 0.91707 0.75035 0.67884 1.0000 + F F1186 1.0 0.95873 0.79202 0.67884 1.0000 + F F1187 1.0 0.00040 0.83369 0.67884 1.0000 + F F1188 1.0 0.04207 0.87535 0.67884 1.0000 + F F1189 1.0 0.62540 0.37535 0.67884 1.0000 + F F1190 1.0 0.66707 0.41702 0.67884 1.0000 + F F1191 1.0 0.70873 0.45869 0.67884 1.0000 + F F1192 1.0 0.75040 0.50035 0.67884 1.0000 + F F1193 1.0 0.79207 0.54202 0.67884 1.0000 + F F1194 1.0 0.83373 0.58369 0.67884 1.0000 + F F1195 1.0 0.87540 0.62535 0.67884 1.0000 + F F1196 1.0 0.91707 0.66702 0.67884 1.0000 + F F1197 1.0 0.95873 0.70869 0.67884 1.0000 + F F1198 1.0 0.00040 0.75035 0.67884 1.0000 + F F1199 1.0 0.04207 0.79202 0.67884 1.0000 + F F1200 1.0 0.08373 0.83369 0.67884 1.0000 + F F1201 1.0 0.66707 0.33369 0.67884 1.0000 + F F1202 1.0 0.70873 0.37535 0.67884 1.0000 + F F1203 1.0 0.75040 0.41702 0.67884 1.0000 + F F1204 1.0 0.79207 0.45869 0.67884 1.0000 + F F1205 1.0 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F1294 1.0 0.33373 0.41702 0.67884 1.0000 + F F1295 1.0 0.37540 0.45869 0.67884 1.0000 + F F1296 1.0 0.41707 0.50035 0.67884 1.0000 + F F1297 1.0 0.54030 0.50010 0.65023 1.0000 + F F1298 1.0 0.58197 0.54177 0.65023 1.0000 + F F1299 1.0 0.62364 0.58344 0.65023 1.0000 + F F1300 1.0 0.66530 0.62510 0.65023 1.0000 + F F1301 1.0 0.70697 0.66677 0.65023 1.0000 + F F1302 1.0 0.74864 0.70844 0.65023 1.0000 + F F1303 1.0 0.79030 0.75010 0.65023 1.0000 + F F1304 1.0 0.83197 0.79177 0.65023 1.0000 + F F1305 1.0 0.87364 0.83344 0.65023 1.0000 + F F1306 1.0 0.91530 0.87510 0.65023 1.0000 + F F1307 1.0 0.95697 0.91677 0.65023 1.0000 + F F1308 1.0 0.99864 0.95844 0.65023 1.0000 + F F1309 1.0 0.58197 0.45844 0.65023 1.0000 + F F1310 1.0 0.62364 0.50010 0.65023 1.0000 + F F1311 1.0 0.66530 0.54177 0.65023 1.0000 + F F1312 1.0 0.70697 0.58344 0.65023 1.0000 + F F1313 1.0 0.74864 0.62510 0.65023 1.0000 + F F1314 1.0 0.79030 0.66677 0.65023 1.0000 + F F1315 1.0 0.83197 0.70844 0.65023 1.0000 + F F1316 1.0 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0.59993 1.0000 + O O428 1.0 0.62500 0.73431 0.59993 1.0000 + O O429 1.0 0.62500 0.79681 0.59993 1.0000 + O O430 1.0 0.62500 0.85931 0.59993 1.0000 + O O431 1.0 0.62500 0.92181 0.59993 1.0000 + O O432 1.0 0.62500 0.98431 0.59993 1.0000 + O O433 1.0 0.68750 0.04681 0.59993 1.0000 + O O434 1.0 0.68750 0.10931 0.59993 1.0000 + O O435 1.0 0.68750 0.17181 0.59993 1.0000 + O O436 1.0 0.68750 0.23431 0.59993 1.0000 + O O437 1.0 0.68750 0.29681 0.59993 1.0000 + O O438 1.0 0.68750 0.35931 0.59993 1.0000 + O O439 1.0 0.68750 0.42181 0.59993 1.0000 + O O440 1.0 0.68750 0.48431 0.59993 1.0000 + O O441 1.0 0.68750 0.54681 0.59993 1.0000 + O O442 1.0 0.68750 0.60931 0.59993 1.0000 + O O443 1.0 0.68750 0.67181 0.59993 1.0000 + O O444 1.0 0.68750 0.73431 0.59993 1.0000 + O O445 1.0 0.68750 0.79681 0.59993 1.0000 + O O446 1.0 0.68750 0.85931 0.59993 1.0000 + O O447 1.0 0.68750 0.92181 0.59993 1.0000 + O O448 1.0 0.68750 0.98431 0.59993 1.0000 + O O449 1.0 0.75000 0.04681 0.59993 1.0000 + O O450 1.0 0.75000 0.10931 0.59993 1.0000 + O O451 1.0 0.75000 0.17181 0.59993 1.0000 + O O452 1.0 0.75000 0.23431 0.59993 1.0000 + O O453 1.0 0.75000 0.29681 0.59993 1.0000 + O O454 1.0 0.75000 0.35931 0.59993 1.0000 + O O455 1.0 0.75000 0.42181 0.59993 1.0000 + O O456 1.0 0.75000 0.48431 0.59993 1.0000 + O O457 1.0 0.75000 0.54681 0.59993 1.0000 + O O458 1.0 0.75000 0.60931 0.59993 1.0000 + O O459 1.0 0.75000 0.67181 0.59993 1.0000 + O O460 1.0 0.75000 0.73431 0.59993 1.0000 + O O461 1.0 0.75000 0.79681 0.59993 1.0000 + O O462 1.0 0.75000 0.85931 0.59993 1.0000 + O O463 1.0 0.75000 0.92181 0.59993 1.0000 + O O464 1.0 0.75000 0.98431 0.59993 1.0000 + O O465 1.0 0.81250 0.04681 0.59993 1.0000 + O O466 1.0 0.81250 0.10931 0.59993 1.0000 + O O467 1.0 0.81250 0.17181 0.59993 1.0000 + O O468 1.0 0.81250 0.23431 0.59993 1.0000 + O O469 1.0 0.81250 0.29681 0.59993 1.0000 + O O470 1.0 0.81250 0.35931 0.59993 1.0000 + O O471 1.0 0.81250 0.42181 0.59993 1.0000 + O O472 1.0 0.81250 0.48431 0.59993 1.0000 + O O473 1.0 0.81250 0.54681 0.59993 1.0000 + O O474 1.0 0.81250 0.60931 0.59993 1.0000 + O O475 1.0 0.81250 0.67181 0.59993 1.0000 + O O476 1.0 0.81250 0.73431 0.59993 1.0000 + O O477 1.0 0.81250 0.79681 0.59993 1.0000 + O O478 1.0 0.81250 0.85931 0.59993 1.0000 + O O479 1.0 0.81250 0.92181 0.59993 1.0000 + O O480 1.0 0.81250 0.98431 0.59993 1.0000 + O O481 1.0 0.87500 0.04681 0.59993 1.0000 + O O482 1.0 0.87500 0.10931 0.59993 1.0000 + O O483 1.0 0.87500 0.17181 0.59993 1.0000 + O O484 1.0 0.87500 0.23431 0.59993 1.0000 + O O485 1.0 0.87500 0.29681 0.59993 1.0000 + O O486 1.0 0.87500 0.35931 0.59993 1.0000 + O O487 1.0 0.87500 0.42181 0.59993 1.0000 + O O488 1.0 0.87500 0.48431 0.59993 1.0000 + O O489 1.0 0.87500 0.54681 0.59993 1.0000 + O O490 1.0 0.87500 0.60931 0.59993 1.0000 + O O491 1.0 0.87500 0.67181 0.59993 1.0000 + O O492 1.0 0.87500 0.73431 0.59993 1.0000 + O O493 1.0 0.87500 0.79681 0.59993 1.0000 + O O494 1.0 0.87500 0.85931 0.59993 1.0000 + O O495 1.0 0.87500 0.92181 0.59993 1.0000 + O O496 1.0 0.87500 0.98431 0.59993 1.0000 + O O497 1.0 0.93750 0.04681 0.59993 1.0000 + O O498 1.0 0.93750 0.10931 0.59993 1.0000 + O O499 1.0 0.93750 0.17181 0.59993 1.0000 + O O500 1.0 0.93750 0.23431 0.59993 1.0000 + O O501 1.0 0.93750 0.29681 0.59993 1.0000 + O O502 1.0 0.93750 0.35931 0.59993 1.0000 + O O503 1.0 0.93750 0.42181 0.59993 1.0000 + O O504 1.0 0.93750 0.48431 0.59993 1.0000 + O O505 1.0 0.93750 0.54681 0.59993 1.0000 + O O506 1.0 0.93750 0.60931 0.59993 1.0000 + O O507 1.0 0.93750 0.67181 0.59993 1.0000 + O O508 1.0 0.93750 0.73431 0.59993 1.0000 + O O509 1.0 0.93750 0.79681 0.59993 1.0000 + O O510 1.0 0.93750 0.85931 0.59993 1.0000 + O O511 1.0 0.93750 0.92181 0.59993 1.0000 + O O512 1.0 0.93750 0.98431 0.59993 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5057_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5057_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..3e55cc6565031d55d7dbd394df90340412c02d71 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5057_supercell_12x12x1.cif @@ -0,0 +1,3481 @@ +data_image0 +_chemical_formula_structural Mn432Co144O1152Mn432Co144O1152 +_chemical_formula_sum "Mn864 Co288 O2304" +_cell_length_a 121.342 +_cell_length_b 70.0569 +_cell_length_c 5.92785 +_cell_angle_alpha 90 +_cell_angle_beta 90 +_cell_angle_gamma 90 + +_space_group_name_H-M_alt "P 1" +_space_group_IT_number 1 + +loop_ + _space_group_symop_operation_xyz + 'x, y, z' + +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Mn Mn1 1.0 0.03472 0.97917 0.50000 1.0000 + Mn Mn2 1.0 0.07639 0.02083 0.50000 1.0000 + Mn Mn3 1.0 0.11806 0.06250 0.50000 1.0000 + Mn Mn4 1.0 0.15972 0.10417 0.50000 1.0000 + Mn Mn5 1.0 0.20139 0.14583 0.50000 1.0000 + Mn Mn6 1.0 0.24306 0.18750 0.50000 1.0000 + Mn Mn7 1.0 0.28472 0.22917 0.50000 1.0000 + Mn Mn8 1.0 0.32639 0.27083 0.50000 1.0000 + Mn Mn9 1.0 0.36806 0.31250 0.50000 1.0000 + Mn Mn10 1.0 0.40972 0.35417 0.50000 1.0000 + Mn Mn11 1.0 0.45139 0.39583 0.50000 1.0000 + Mn Mn12 1.0 0.49306 0.43750 0.50000 1.0000 + Mn Mn13 1.0 0.07639 0.93750 0.50000 1.0000 + Mn Mn14 1.0 0.11806 0.97917 0.50000 1.0000 + Mn Mn15 1.0 0.15972 0.02083 0.50000 1.0000 + Mn Mn16 1.0 0.20139 0.06250 0.50000 1.0000 + Mn Mn17 1.0 0.24306 0.10417 0.50000 1.0000 + Mn Mn18 1.0 0.28472 0.14583 0.50000 1.0000 + Mn Mn19 1.0 0.32639 0.18750 0.50000 1.0000 + Mn Mn20 1.0 0.36806 0.22917 0.50000 1.0000 + Mn Mn21 1.0 0.40972 0.27083 0.50000 1.0000 + Mn Mn22 1.0 0.45139 0.31250 0.50000 1.0000 + Mn Mn23 1.0 0.49306 0.35417 0.50000 1.0000 + Mn Mn24 1.0 0.53472 0.39583 0.50000 1.0000 + Mn Mn25 1.0 0.11806 0.89583 0.50000 1.0000 + Mn Mn26 1.0 0.15972 0.93750 0.50000 1.0000 + Mn Mn27 1.0 0.20139 0.97917 0.50000 1.0000 + Mn Mn28 1.0 0.24306 0.02083 0.50000 1.0000 + Mn Mn29 1.0 0.28472 0.06250 0.50000 1.0000 + Mn Mn30 1.0 0.32639 0.10417 0.50000 1.0000 + Mn Mn31 1.0 0.36806 0.14583 0.50000 1.0000 + Mn Mn32 1.0 0.40972 0.18750 0.50000 1.0000 + Mn Mn33 1.0 0.45139 0.22917 0.50000 1.0000 + Mn Mn34 1.0 0.49306 0.27083 0.50000 1.0000 + Mn Mn35 1.0 0.53472 0.31250 0.50000 1.0000 + Mn Mn36 1.0 0.57639 0.35417 0.50000 1.0000 + Mn Mn37 1.0 0.15972 0.85417 0.50000 1.0000 + Mn Mn38 1.0 0.20139 0.89583 0.50000 1.0000 + Mn Mn39 1.0 0.24306 0.93750 0.50000 1.0000 + Mn Mn40 1.0 0.28472 0.97917 0.50000 1.0000 + Mn Mn41 1.0 0.32639 0.02083 0.50000 1.0000 + Mn Mn42 1.0 0.36806 0.06250 0.50000 1.0000 + Mn Mn43 1.0 0.40972 0.10417 0.50000 1.0000 + Mn Mn44 1.0 0.45139 0.14583 0.50000 1.0000 + Mn Mn45 1.0 0.49306 0.18750 0.50000 1.0000 + Mn Mn46 1.0 0.53472 0.22917 0.50000 1.0000 + Mn Mn47 1.0 0.57639 0.27083 0.50000 1.0000 + Mn Mn48 1.0 0.61806 0.31250 0.50000 1.0000 + Mn Mn49 1.0 0.20139 0.81250 0.50000 1.0000 + Mn Mn50 1.0 0.24306 0.85417 0.50000 1.0000 + Mn Mn51 1.0 0.28472 0.89583 0.50000 1.0000 + Mn Mn52 1.0 0.32639 0.93750 0.50000 1.0000 + Mn Mn53 1.0 0.36806 0.97917 0.50000 1.0000 + Mn Mn54 1.0 0.40972 0.02083 0.50000 1.0000 + Mn Mn55 1.0 0.45139 0.06250 0.50000 1.0000 + Mn Mn56 1.0 0.49306 0.10417 0.50000 1.0000 + Mn Mn57 1.0 0.53472 0.14583 0.50000 1.0000 + Mn Mn58 1.0 0.57639 0.18750 0.50000 1.0000 + Mn Mn59 1.0 0.61806 0.22917 0.50000 1.0000 + Mn Mn60 1.0 0.65972 0.27083 0.50000 1.0000 + Mn Mn61 1.0 0.24306 0.77083 0.50000 1.0000 + Mn Mn62 1.0 0.28472 0.81250 0.50000 1.0000 + Mn Mn63 1.0 0.32639 0.85417 0.50000 1.0000 + Mn Mn64 1.0 0.36806 0.89583 0.50000 1.0000 + Mn Mn65 1.0 0.40972 0.93750 0.50000 1.0000 + Mn Mn66 1.0 0.45139 0.97917 0.50000 1.0000 + Mn Mn67 1.0 0.49306 0.02083 0.50000 1.0000 + Mn Mn68 1.0 0.53472 0.06250 0.50000 1.0000 + Mn Mn69 1.0 0.57639 0.10417 0.50000 1.0000 + Mn Mn70 1.0 0.61806 0.14583 0.50000 1.0000 + Mn Mn71 1.0 0.65972 0.18750 0.50000 1.0000 + Mn Mn72 1.0 0.70139 0.22917 0.50000 1.0000 + Mn Mn73 1.0 0.28472 0.72917 0.50000 1.0000 + Mn Mn74 1.0 0.32639 0.77083 0.50000 1.0000 + Mn Mn75 1.0 0.36806 0.81250 0.50000 1.0000 + Mn Mn76 1.0 0.40972 0.85417 0.50000 1.0000 + Mn Mn77 1.0 0.45139 0.89583 0.50000 1.0000 + Mn Mn78 1.0 0.49306 0.93750 0.50000 1.0000 + Mn Mn79 1.0 0.53472 0.97917 0.50000 1.0000 + Mn Mn80 1.0 0.57639 0.02083 0.50000 1.0000 + Mn Mn81 1.0 0.61806 0.06250 0.50000 1.0000 + Mn Mn82 1.0 0.65972 0.10417 0.50000 1.0000 + Mn Mn83 1.0 0.70139 0.14583 0.50000 1.0000 + Mn Mn84 1.0 0.74306 0.18750 0.50000 1.0000 + Mn Mn85 1.0 0.32639 0.68750 0.50000 1.0000 + Mn Mn86 1.0 0.36806 0.72917 0.50000 1.0000 + Mn Mn87 1.0 0.40972 0.77083 0.50000 1.0000 + Mn Mn88 1.0 0.45139 0.81250 0.50000 1.0000 + Mn Mn89 1.0 0.49306 0.85417 0.50000 1.0000 + Mn Mn90 1.0 0.53472 0.89583 0.50000 1.0000 + Mn Mn91 1.0 0.57639 0.93750 0.50000 1.0000 + Mn Mn92 1.0 0.61806 0.97917 0.50000 1.0000 + Mn Mn93 1.0 0.65972 0.02083 0.50000 1.0000 + Mn Mn94 1.0 0.70139 0.06250 0.50000 1.0000 + Mn Mn95 1.0 0.74306 0.10417 0.50000 1.0000 + Mn Mn96 1.0 0.78472 0.14583 0.50000 1.0000 + Mn Mn97 1.0 0.36806 0.64583 0.50000 1.0000 + Mn Mn98 1.0 0.40972 0.68750 0.50000 1.0000 + Mn Mn99 1.0 0.45139 0.72917 0.50000 1.0000 + Mn Mn100 1.0 0.49306 0.77083 0.50000 1.0000 + Mn Mn101 1.0 0.53472 0.81250 0.50000 1.0000 + Mn Mn102 1.0 0.57639 0.85417 0.50000 1.0000 + Mn Mn103 1.0 0.61806 0.89583 0.50000 1.0000 + Mn Mn104 1.0 0.65972 0.93750 0.50000 1.0000 + Mn Mn105 1.0 0.70139 0.97917 0.50000 1.0000 + Mn Mn106 1.0 0.74306 0.02083 0.50000 1.0000 + Mn Mn107 1.0 0.78472 0.06250 0.50000 1.0000 + Mn Mn108 1.0 0.82639 0.10417 0.50000 1.0000 + Mn Mn109 1.0 0.40972 0.60417 0.50000 1.0000 + Mn Mn110 1.0 0.45139 0.64583 0.50000 1.0000 + Mn Mn111 1.0 0.49306 0.68750 0.50000 1.0000 + Mn Mn112 1.0 0.53472 0.72917 0.50000 1.0000 + Mn Mn113 1.0 0.57639 0.77083 0.50000 1.0000 + Mn Mn114 1.0 0.61806 0.81250 0.50000 1.0000 + Mn Mn115 1.0 0.65972 0.85417 0.50000 1.0000 + Mn Mn116 1.0 0.70139 0.89583 0.50000 1.0000 + Mn Mn117 1.0 0.74306 0.93750 0.50000 1.0000 + Mn Mn118 1.0 0.78472 0.97917 0.50000 1.0000 + Mn Mn119 1.0 0.82639 0.02083 0.50000 1.0000 + Mn Mn120 1.0 0.86806 0.06250 0.50000 1.0000 + Mn Mn121 1.0 0.45139 0.56250 0.50000 1.0000 + Mn Mn122 1.0 0.49306 0.60417 0.50000 1.0000 + Mn Mn123 1.0 0.53472 0.64583 0.50000 1.0000 + Mn Mn124 1.0 0.57639 0.68750 0.50000 1.0000 + Mn Mn125 1.0 0.61806 0.72917 0.50000 1.0000 + Mn Mn126 1.0 0.65972 0.77083 0.50000 1.0000 + Mn Mn127 1.0 0.70139 0.81250 0.50000 1.0000 + Mn Mn128 1.0 0.74306 0.85417 0.50000 1.0000 + Mn Mn129 1.0 0.78472 0.89583 0.50000 1.0000 + Mn Mn130 1.0 0.82639 0.93750 0.50000 1.0000 + Mn Mn131 1.0 0.86806 0.97917 0.50000 1.0000 + Mn Mn132 1.0 0.90972 0.02083 0.50000 1.0000 + Mn Mn133 1.0 0.49306 0.52083 0.50000 1.0000 + Mn Mn134 1.0 0.53472 0.56250 0.50000 1.0000 + Mn Mn135 1.0 0.57639 0.60417 0.50000 1.0000 + Mn Mn136 1.0 0.61806 0.64583 0.50000 1.0000 + Mn Mn137 1.0 0.65972 0.68750 0.50000 1.0000 + Mn Mn138 1.0 0.70139 0.72917 0.50000 1.0000 + Mn Mn139 1.0 0.74306 0.77083 0.50000 1.0000 + Mn Mn140 1.0 0.78472 0.81250 0.50000 1.0000 + Mn Mn141 1.0 0.82639 0.85417 0.50000 1.0000 + Mn Mn142 1.0 0.86806 0.89583 0.50000 1.0000 + Mn Mn143 1.0 0.90972 0.93750 0.50000 1.0000 + Mn Mn144 1.0 0.95139 0.97917 0.50000 1.0000 + Mn Mn145 1.0 0.01389 0.00000 0.50000 1.0000 + Mn Mn146 1.0 0.05556 0.04167 0.50000 1.0000 + Mn Mn147 1.0 0.09722 0.08333 0.50000 1.0000 + Mn Mn148 1.0 0.13889 0.12500 0.50000 1.0000 + Mn Mn149 1.0 0.18056 0.16667 0.50000 1.0000 + Mn Mn150 1.0 0.22222 0.20833 0.50000 1.0000 + Mn Mn151 1.0 0.26389 0.25000 0.50000 1.0000 + Mn Mn152 1.0 0.30556 0.29167 0.50000 1.0000 + Mn Mn153 1.0 0.34722 0.33333 0.50000 1.0000 + Mn Mn154 1.0 0.38889 0.37500 0.50000 1.0000 + Mn Mn155 1.0 0.43056 0.41667 0.50000 1.0000 + Mn Mn156 1.0 0.47222 0.45833 0.50000 1.0000 + Mn Mn157 1.0 0.05556 0.95833 0.50000 1.0000 + Mn Mn158 1.0 0.09722 0.00000 0.50000 1.0000 + Mn Mn159 1.0 0.13889 0.04167 0.50000 1.0000 + Mn Mn160 1.0 0.18056 0.08333 0.50000 1.0000 + Mn Mn161 1.0 0.22222 0.12500 0.50000 1.0000 + Mn Mn162 1.0 0.26389 0.16667 0.50000 1.0000 + Mn Mn163 1.0 0.30556 0.20833 0.50000 1.0000 + Mn Mn164 1.0 0.34722 0.25000 0.50000 1.0000 + Mn Mn165 1.0 0.38889 0.29167 0.50000 1.0000 + Mn Mn166 1.0 0.43056 0.33333 0.50000 1.0000 + Mn Mn167 1.0 0.47222 0.37500 0.50000 1.0000 + Mn Mn168 1.0 0.51389 0.41667 0.50000 1.0000 + Mn Mn169 1.0 0.09722 0.91667 0.50000 1.0000 + Mn Mn170 1.0 0.13889 0.95833 0.50000 1.0000 + Mn Mn171 1.0 0.18056 0.00000 0.50000 1.0000 + Mn Mn172 1.0 0.22222 0.04167 0.50000 1.0000 + Mn Mn173 1.0 0.26389 0.08333 0.50000 1.0000 + Mn Mn174 1.0 0.30556 0.12500 0.50000 1.0000 + Mn Mn175 1.0 0.34722 0.16667 0.50000 1.0000 + Mn Mn176 1.0 0.38889 0.20833 0.50000 1.0000 + Mn Mn177 1.0 0.43056 0.25000 0.50000 1.0000 + Mn Mn178 1.0 0.47222 0.29167 0.50000 1.0000 + Mn Mn179 1.0 0.51389 0.33333 0.50000 1.0000 + Mn Mn180 1.0 0.55556 0.37500 0.50000 1.0000 + Mn Mn181 1.0 0.13889 0.87500 0.50000 1.0000 + Mn Mn182 1.0 0.18056 0.91667 0.50000 1.0000 + Mn Mn183 1.0 0.22222 0.95833 0.50000 1.0000 + Mn Mn184 1.0 0.26389 0.00000 0.50000 1.0000 + Mn Mn185 1.0 0.30556 0.04167 0.50000 1.0000 + Mn Mn186 1.0 0.34722 0.08333 0.50000 1.0000 + Mn Mn187 1.0 0.38889 0.12500 0.50000 1.0000 + Mn Mn188 1.0 0.43056 0.16667 0.50000 1.0000 + Mn Mn189 1.0 0.47222 0.20833 0.50000 1.0000 + Mn Mn190 1.0 0.51389 0.25000 0.50000 1.0000 + Mn Mn191 1.0 0.55556 0.29167 0.50000 1.0000 + Mn Mn192 1.0 0.59722 0.33333 0.50000 1.0000 + Mn Mn193 1.0 0.18056 0.83333 0.50000 1.0000 + Mn Mn194 1.0 0.22222 0.87500 0.50000 1.0000 + Mn Mn195 1.0 0.26389 0.91667 0.50000 1.0000 + Mn Mn196 1.0 0.30556 0.95833 0.50000 1.0000 + Mn Mn197 1.0 0.34722 0.00000 0.50000 1.0000 + Mn Mn198 1.0 0.38889 0.04167 0.50000 1.0000 + Mn Mn199 1.0 0.43056 0.08333 0.50000 1.0000 + Mn Mn200 1.0 0.47222 0.12500 0.50000 1.0000 + Mn Mn201 1.0 0.51389 0.16667 0.50000 1.0000 + Mn Mn202 1.0 0.55556 0.20833 0.50000 1.0000 + Mn Mn203 1.0 0.59722 0.25000 0.50000 1.0000 + Mn Mn204 1.0 0.63889 0.29167 0.50000 1.0000 + Mn Mn205 1.0 0.22222 0.79167 0.50000 1.0000 + Mn Mn206 1.0 0.26389 0.83333 0.50000 1.0000 + Mn Mn207 1.0 0.30556 0.87500 0.50000 1.0000 + Mn Mn208 1.0 0.34722 0.91667 0.50000 1.0000 + Mn Mn209 1.0 0.38889 0.95833 0.50000 1.0000 + Mn Mn210 1.0 0.43056 0.00000 0.50000 1.0000 + Mn Mn211 1.0 0.47222 0.04167 0.50000 1.0000 + Mn Mn212 1.0 0.51389 0.08333 0.50000 1.0000 + Mn Mn213 1.0 0.55556 0.12500 0.50000 1.0000 + Mn Mn214 1.0 0.59722 0.16667 0.50000 1.0000 + Mn Mn215 1.0 0.63889 0.20833 0.50000 1.0000 + Mn Mn216 1.0 0.68056 0.25000 0.50000 1.0000 + Mn Mn217 1.0 0.26389 0.75000 0.50000 1.0000 + Mn Mn218 1.0 0.30556 0.79167 0.50000 1.0000 + Mn Mn219 1.0 0.34722 0.83333 0.50000 1.0000 + Mn Mn220 1.0 0.38889 0.87500 0.50000 1.0000 + Mn Mn221 1.0 0.43056 0.91667 0.50000 1.0000 + Mn Mn222 1.0 0.47222 0.95833 0.50000 1.0000 + Mn Mn223 1.0 0.51389 0.00000 0.50000 1.0000 + Mn Mn224 1.0 0.55556 0.04167 0.50000 1.0000 + Mn Mn225 1.0 0.59722 0.08333 0.50000 1.0000 + Mn Mn226 1.0 0.63889 0.12500 0.50000 1.0000 + Mn Mn227 1.0 0.68056 0.16667 0.50000 1.0000 + Mn Mn228 1.0 0.72222 0.20833 0.50000 1.0000 + Mn Mn229 1.0 0.30556 0.70833 0.50000 1.0000 + Mn Mn230 1.0 0.34722 0.75000 0.50000 1.0000 + Mn Mn231 1.0 0.38889 0.79167 0.50000 1.0000 + Mn Mn232 1.0 0.43056 0.83333 0.50000 1.0000 + Mn Mn233 1.0 0.47222 0.87500 0.50000 1.0000 + Mn Mn234 1.0 0.51389 0.91667 0.50000 1.0000 + Mn Mn235 1.0 0.55556 0.95833 0.50000 1.0000 + Mn Mn236 1.0 0.59722 0.00000 0.50000 1.0000 + Mn Mn237 1.0 0.63889 0.04167 0.50000 1.0000 + Mn Mn238 1.0 0.68056 0.08333 0.50000 1.0000 + Mn Mn239 1.0 0.72222 0.12500 0.50000 1.0000 + Mn Mn240 1.0 0.76389 0.16667 0.50000 1.0000 + Mn Mn241 1.0 0.34722 0.66667 0.50000 1.0000 + Mn Mn242 1.0 0.38889 0.70833 0.50000 1.0000 + Mn Mn243 1.0 0.43056 0.75000 0.50000 1.0000 + Mn Mn244 1.0 0.47222 0.79167 0.50000 1.0000 + Mn Mn245 1.0 0.51389 0.83333 0.50000 1.0000 + Mn Mn246 1.0 0.55556 0.87500 0.50000 1.0000 + Mn Mn247 1.0 0.59722 0.91667 0.50000 1.0000 + Mn Mn248 1.0 0.63889 0.95833 0.50000 1.0000 + Mn Mn249 1.0 0.68056 0.00000 0.50000 1.0000 + Mn Mn250 1.0 0.72222 0.04167 0.50000 1.0000 + Mn Mn251 1.0 0.76389 0.08333 0.50000 1.0000 + Mn Mn252 1.0 0.80556 0.12500 0.50000 1.0000 + Mn Mn253 1.0 0.38889 0.62500 0.50000 1.0000 + Mn Mn254 1.0 0.43056 0.66667 0.50000 1.0000 + Mn Mn255 1.0 0.47222 0.70833 0.50000 1.0000 + Mn Mn256 1.0 0.51389 0.75000 0.50000 1.0000 + Mn Mn257 1.0 0.55556 0.79167 0.50000 1.0000 + Mn Mn258 1.0 0.59722 0.83333 0.50000 1.0000 + Mn Mn259 1.0 0.63889 0.87500 0.50000 1.0000 + Mn Mn260 1.0 0.68056 0.91667 0.50000 1.0000 + Mn Mn261 1.0 0.72222 0.95833 0.50000 1.0000 + Mn Mn262 1.0 0.76389 0.00000 0.50000 1.0000 + Mn Mn263 1.0 0.80556 0.04167 0.50000 1.0000 + Mn Mn264 1.0 0.84722 0.08333 0.50000 1.0000 + Mn Mn265 1.0 0.43056 0.58333 0.50000 1.0000 + Mn Mn266 1.0 0.47222 0.62500 0.50000 1.0000 + Mn Mn267 1.0 0.51389 0.66667 0.50000 1.0000 + Mn Mn268 1.0 0.55556 0.70833 0.50000 1.0000 + Mn Mn269 1.0 0.59722 0.75000 0.50000 1.0000 + Mn Mn270 1.0 0.63889 0.79167 0.50000 1.0000 + Mn Mn271 1.0 0.68056 0.83333 0.50000 1.0000 + Mn Mn272 1.0 0.72222 0.87500 0.50000 1.0000 + Mn Mn273 1.0 0.76389 0.91667 0.50000 1.0000 + Mn Mn274 1.0 0.80556 0.95833 0.50000 1.0000 + Mn Mn275 1.0 0.84722 0.00000 0.50000 1.0000 + Mn Mn276 1.0 0.88889 0.04167 0.50000 1.0000 + Mn Mn277 1.0 0.47222 0.54167 0.50000 1.0000 + Mn Mn278 1.0 0.51389 0.58333 0.50000 1.0000 + Mn Mn279 1.0 0.55556 0.62500 0.50000 1.0000 + Mn Mn280 1.0 0.59722 0.66667 0.50000 1.0000 + Mn Mn281 1.0 0.63889 0.70833 0.50000 1.0000 + Mn Mn282 1.0 0.68056 0.75000 0.50000 1.0000 + Mn Mn283 1.0 0.72222 0.79167 0.50000 1.0000 + Mn Mn284 1.0 0.76389 0.83333 0.50000 1.0000 + Mn Mn285 1.0 0.80556 0.87500 0.50000 1.0000 + Mn Mn286 1.0 0.84722 0.91667 0.50000 1.0000 + Mn Mn287 1.0 0.88889 0.95833 0.50000 1.0000 + Mn Mn288 1.0 0.93056 0.00000 0.50000 1.0000 + Mn Mn289 1.0 0.03472 0.02083 0.50000 1.0000 + Mn Mn290 1.0 0.07639 0.06250 0.50000 1.0000 + Mn Mn291 1.0 0.11806 0.10417 0.50000 1.0000 + Mn Mn292 1.0 0.15972 0.14583 0.50000 1.0000 + Mn Mn293 1.0 0.20139 0.18750 0.50000 1.0000 + Mn Mn294 1.0 0.24306 0.22917 0.50000 1.0000 + Mn Mn295 1.0 0.28472 0.27083 0.50000 1.0000 + Mn Mn296 1.0 0.32639 0.31250 0.50000 1.0000 + Mn Mn297 1.0 0.36806 0.35417 0.50000 1.0000 + Mn Mn298 1.0 0.40972 0.39583 0.50000 1.0000 + Mn Mn299 1.0 0.45139 0.43750 0.50000 1.0000 + Mn Mn300 1.0 0.49306 0.47917 0.50000 1.0000 + Mn Mn301 1.0 0.07639 0.97917 0.50000 1.0000 + Mn Mn302 1.0 0.11806 0.02083 0.50000 1.0000 + Mn Mn303 1.0 0.15972 0.06250 0.50000 1.0000 + Mn Mn304 1.0 0.20139 0.10417 0.50000 1.0000 + Mn Mn305 1.0 0.24306 0.14583 0.50000 1.0000 + Mn Mn306 1.0 0.28472 0.18750 0.50000 1.0000 + Mn Mn307 1.0 0.32639 0.22917 0.50000 1.0000 + Mn Mn308 1.0 0.36806 0.27083 0.50000 1.0000 + Mn Mn309 1.0 0.40972 0.31250 0.50000 1.0000 + Mn Mn310 1.0 0.45139 0.35417 0.50000 1.0000 + Mn Mn311 1.0 0.49306 0.39583 0.50000 1.0000 + Mn Mn312 1.0 0.53472 0.43750 0.50000 1.0000 + Mn Mn313 1.0 0.11806 0.93750 0.50000 1.0000 + Mn Mn314 1.0 0.15972 0.97917 0.50000 1.0000 + Mn Mn315 1.0 0.20139 0.02083 0.50000 1.0000 + Mn Mn316 1.0 0.24306 0.06250 0.50000 1.0000 + Mn Mn317 1.0 0.28472 0.10417 0.50000 1.0000 + Mn Mn318 1.0 0.32639 0.14583 0.50000 1.0000 + Mn Mn319 1.0 0.36806 0.18750 0.50000 1.0000 + Mn Mn320 1.0 0.40972 0.22917 0.50000 1.0000 + Mn Mn321 1.0 0.45139 0.27083 0.50000 1.0000 + Mn Mn322 1.0 0.49306 0.31250 0.50000 1.0000 + Mn Mn323 1.0 0.53472 0.35417 0.50000 1.0000 + Mn Mn324 1.0 0.57639 0.39583 0.50000 1.0000 + Mn Mn325 1.0 0.15972 0.89583 0.50000 1.0000 + Mn Mn326 1.0 0.20139 0.93750 0.50000 1.0000 + Mn Mn327 1.0 0.24306 0.97917 0.50000 1.0000 + Mn Mn328 1.0 0.28472 0.02083 0.50000 1.0000 + Mn Mn329 1.0 0.32639 0.06250 0.50000 1.0000 + Mn Mn330 1.0 0.36806 0.10417 0.50000 1.0000 + Mn Mn331 1.0 0.40972 0.14583 0.50000 1.0000 + Mn Mn332 1.0 0.45139 0.18750 0.50000 1.0000 + Mn Mn333 1.0 0.49306 0.22917 0.50000 1.0000 + Mn Mn334 1.0 0.53472 0.27083 0.50000 1.0000 + Mn Mn335 1.0 0.57639 0.31250 0.50000 1.0000 + Mn Mn336 1.0 0.61806 0.35417 0.50000 1.0000 + Mn Mn337 1.0 0.20139 0.85417 0.50000 1.0000 + Mn Mn338 1.0 0.24306 0.89583 0.50000 1.0000 + Mn Mn339 1.0 0.28472 0.93750 0.50000 1.0000 + Mn Mn340 1.0 0.32639 0.97917 0.50000 1.0000 + Mn Mn341 1.0 0.36806 0.02083 0.50000 1.0000 + Mn Mn342 1.0 0.40972 0.06250 0.50000 1.0000 + Mn Mn343 1.0 0.45139 0.10417 0.50000 1.0000 + Mn Mn344 1.0 0.49306 0.14583 0.50000 1.0000 + Mn Mn345 1.0 0.53472 0.18750 0.50000 1.0000 + Mn Mn346 1.0 0.57639 0.22917 0.50000 1.0000 + Mn Mn347 1.0 0.61806 0.27083 0.50000 1.0000 + Mn Mn348 1.0 0.65972 0.31250 0.50000 1.0000 + Mn Mn349 1.0 0.24306 0.81250 0.50000 1.0000 + Mn Mn350 1.0 0.28472 0.85417 0.50000 1.0000 + Mn Mn351 1.0 0.32639 0.89583 0.50000 1.0000 + Mn Mn352 1.0 0.36806 0.93750 0.50000 1.0000 + Mn Mn353 1.0 0.40972 0.97917 0.50000 1.0000 + Mn Mn354 1.0 0.45139 0.02083 0.50000 1.0000 + Mn Mn355 1.0 0.49306 0.06250 0.50000 1.0000 + Mn Mn356 1.0 0.53472 0.10417 0.50000 1.0000 + Mn Mn357 1.0 0.57639 0.14583 0.50000 1.0000 + Mn Mn358 1.0 0.61806 0.18750 0.50000 1.0000 + Mn Mn359 1.0 0.65972 0.22917 0.50000 1.0000 + Mn Mn360 1.0 0.70139 0.27083 0.50000 1.0000 + Mn Mn361 1.0 0.28472 0.77083 0.50000 1.0000 + Mn Mn362 1.0 0.32639 0.81250 0.50000 1.0000 + Mn Mn363 1.0 0.36806 0.85417 0.50000 1.0000 + Mn Mn364 1.0 0.40972 0.89583 0.50000 1.0000 + Mn Mn365 1.0 0.45139 0.93750 0.50000 1.0000 + Mn Mn366 1.0 0.49306 0.97917 0.50000 1.0000 + Mn Mn367 1.0 0.53472 0.02083 0.50000 1.0000 + Mn Mn368 1.0 0.57639 0.06250 0.50000 1.0000 + Mn Mn369 1.0 0.61806 0.10417 0.50000 1.0000 + Mn Mn370 1.0 0.65972 0.14583 0.50000 1.0000 + Mn Mn371 1.0 0.70139 0.18750 0.50000 1.0000 + Mn Mn372 1.0 0.74306 0.22917 0.50000 1.0000 + Mn Mn373 1.0 0.32639 0.72917 0.50000 1.0000 + Mn Mn374 1.0 0.36806 0.77083 0.50000 1.0000 + Mn Mn375 1.0 0.40972 0.81250 0.50000 1.0000 + Mn Mn376 1.0 0.45139 0.85417 0.50000 1.0000 + Mn Mn377 1.0 0.49306 0.89583 0.50000 1.0000 + Mn Mn378 1.0 0.53472 0.93750 0.50000 1.0000 + Mn Mn379 1.0 0.57639 0.97917 0.50000 1.0000 + Mn Mn380 1.0 0.61806 0.02083 0.50000 1.0000 + Mn Mn381 1.0 0.65972 0.06250 0.50000 1.0000 + Mn Mn382 1.0 0.70139 0.10417 0.50000 1.0000 + Mn Mn383 1.0 0.74306 0.14583 0.50000 1.0000 + Mn Mn384 1.0 0.78472 0.18750 0.50000 1.0000 + Mn Mn385 1.0 0.36806 0.68750 0.50000 1.0000 + Mn Mn386 1.0 0.40972 0.72917 0.50000 1.0000 + Mn Mn387 1.0 0.45139 0.77083 0.50000 1.0000 + Mn Mn388 1.0 0.49306 0.81250 0.50000 1.0000 + Mn Mn389 1.0 0.53472 0.85417 0.50000 1.0000 + Mn Mn390 1.0 0.57639 0.89583 0.50000 1.0000 + Mn Mn391 1.0 0.61806 0.93750 0.50000 1.0000 + Mn Mn392 1.0 0.65972 0.97917 0.50000 1.0000 + Mn Mn393 1.0 0.70139 0.02083 0.50000 1.0000 + Mn Mn394 1.0 0.74306 0.06250 0.50000 1.0000 + Mn Mn395 1.0 0.78472 0.10417 0.50000 1.0000 + Mn Mn396 1.0 0.82639 0.14583 0.50000 1.0000 + Mn Mn397 1.0 0.40972 0.64583 0.50000 1.0000 + Mn Mn398 1.0 0.45139 0.68750 0.50000 1.0000 + Mn Mn399 1.0 0.49306 0.72917 0.50000 1.0000 + Mn Mn400 1.0 0.53472 0.77083 0.50000 1.0000 + Mn Mn401 1.0 0.57639 0.81250 0.50000 1.0000 + Mn Mn402 1.0 0.61806 0.85417 0.50000 1.0000 + Mn Mn403 1.0 0.65972 0.89583 0.50000 1.0000 + Mn Mn404 1.0 0.70139 0.93750 0.50000 1.0000 + Mn Mn405 1.0 0.74306 0.97917 0.50000 1.0000 + Mn Mn406 1.0 0.78472 0.02083 0.50000 1.0000 + Mn Mn407 1.0 0.82639 0.06250 0.50000 1.0000 + Mn Mn408 1.0 0.86806 0.10417 0.50000 1.0000 + Mn Mn409 1.0 0.45139 0.60417 0.50000 1.0000 + Mn Mn410 1.0 0.49306 0.64583 0.50000 1.0000 + Mn Mn411 1.0 0.53472 0.68750 0.50000 1.0000 + Mn Mn412 1.0 0.57639 0.72917 0.50000 1.0000 + Mn Mn413 1.0 0.61806 0.77083 0.50000 1.0000 + Mn Mn414 1.0 0.65972 0.81250 0.50000 1.0000 + Mn Mn415 1.0 0.70139 0.85417 0.50000 1.0000 + Mn Mn416 1.0 0.74306 0.89583 0.50000 1.0000 + Mn Mn417 1.0 0.78472 0.93750 0.50000 1.0000 + Mn Mn418 1.0 0.82639 0.97917 0.50000 1.0000 + Mn Mn419 1.0 0.86806 0.02083 0.50000 1.0000 + Mn Mn420 1.0 0.90972 0.06250 0.50000 1.0000 + Mn Mn421 1.0 0.49306 0.56250 0.50000 1.0000 + Mn Mn422 1.0 0.53472 0.60417 0.50000 1.0000 + Mn Mn423 1.0 0.57639 0.64583 0.50000 1.0000 + Mn Mn424 1.0 0.61806 0.68750 0.50000 1.0000 + Mn Mn425 1.0 0.65972 0.72917 0.50000 1.0000 + Mn Mn426 1.0 0.70139 0.77083 0.50000 1.0000 + Mn Mn427 1.0 0.74306 0.81250 0.50000 1.0000 + Mn Mn428 1.0 0.78472 0.85417 0.50000 1.0000 + Mn Mn429 1.0 0.82639 0.89583 0.50000 1.0000 + Mn Mn430 1.0 0.86806 0.93750 0.50000 1.0000 + Mn Mn431 1.0 0.90972 0.97917 0.50000 1.0000 + Mn Mn432 1.0 0.95139 0.02083 0.50000 1.0000 + Co Co1 1.0 0.05556 0.00000 0.50000 1.0000 + Co Co2 1.0 0.09722 0.04167 0.50000 1.0000 + Co Co3 1.0 0.13889 0.08333 0.50000 1.0000 + Co Co4 1.0 0.18056 0.12500 0.50000 1.0000 + Co Co5 1.0 0.22222 0.16667 0.50000 1.0000 + Co Co6 1.0 0.26389 0.20833 0.50000 1.0000 + Co Co7 1.0 0.30556 0.25000 0.50000 1.0000 + Co Co8 1.0 0.34722 0.29167 0.50000 1.0000 + Co Co9 1.0 0.38889 0.33333 0.50000 1.0000 + Co Co10 1.0 0.43056 0.37500 0.50000 1.0000 + Co Co11 1.0 0.47222 0.41667 0.50000 1.0000 + Co Co12 1.0 0.51389 0.45833 0.50000 1.0000 + Co Co13 1.0 0.09722 0.95833 0.50000 1.0000 + Co Co14 1.0 0.13889 0.00000 0.50000 1.0000 + Co Co15 1.0 0.18056 0.04167 0.50000 1.0000 + Co Co16 1.0 0.22222 0.08333 0.50000 1.0000 + Co Co17 1.0 0.26389 0.12500 0.50000 1.0000 + Co Co18 1.0 0.30556 0.16667 0.50000 1.0000 + Co Co19 1.0 0.34722 0.20833 0.50000 1.0000 + Co Co20 1.0 0.38889 0.25000 0.50000 1.0000 + Co Co21 1.0 0.43056 0.29167 0.50000 1.0000 + Co Co22 1.0 0.47222 0.33333 0.50000 1.0000 + Co Co23 1.0 0.51389 0.37500 0.50000 1.0000 + Co Co24 1.0 0.55556 0.41667 0.50000 1.0000 + Co Co25 1.0 0.13889 0.91667 0.50000 1.0000 + Co Co26 1.0 0.18056 0.95833 0.50000 1.0000 + Co Co27 1.0 0.22222 0.00000 0.50000 1.0000 + Co Co28 1.0 0.26389 0.04167 0.50000 1.0000 + Co Co29 1.0 0.30556 0.08333 0.50000 1.0000 + Co Co30 1.0 0.34722 0.12500 0.50000 1.0000 + Co Co31 1.0 0.38889 0.16667 0.50000 1.0000 + Co Co32 1.0 0.43056 0.20833 0.50000 1.0000 + Co Co33 1.0 0.47222 0.25000 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1.0000 + O O977 1.0 0.54167 0.79167 0.66261 1.0000 + O O978 1.0 0.58333 0.83333 0.66261 1.0000 + O O979 1.0 0.62500 0.87500 0.66261 1.0000 + O O980 1.0 0.66667 0.91667 0.66261 1.0000 + O O981 1.0 0.70833 0.95833 0.66261 1.0000 + O O982 1.0 0.75000 0.00000 0.66261 1.0000 + O O983 1.0 0.79167 0.04167 0.66261 1.0000 + O O984 1.0 0.83333 0.08333 0.66261 1.0000 + O O985 1.0 0.41667 0.58333 0.66261 1.0000 + O O986 1.0 0.45833 0.62500 0.66261 1.0000 + O O987 1.0 0.50000 0.66667 0.66261 1.0000 + O O988 1.0 0.54167 0.70833 0.66261 1.0000 + O O989 1.0 0.58333 0.75000 0.66261 1.0000 + O O990 1.0 0.62500 0.79167 0.66261 1.0000 + O O991 1.0 0.66667 0.83333 0.66261 1.0000 + O O992 1.0 0.70833 0.87500 0.66261 1.0000 + O O993 1.0 0.75000 0.91667 0.66261 1.0000 + O O994 1.0 0.79167 0.95833 0.66261 1.0000 + O O995 1.0 0.83333 0.00000 0.66261 1.0000 + O O996 1.0 0.87500 0.04167 0.66261 1.0000 + O O997 1.0 0.45833 0.54167 0.66261 1.0000 + O O998 1.0 0.50000 0.58333 0.66261 1.0000 + O O999 1.0 0.54167 0.62500 0.66261 1.0000 + O O1000 1.0 0.58333 0.66667 0.66261 1.0000 + O O1001 1.0 0.62500 0.70833 0.66261 1.0000 + O O1002 1.0 0.66667 0.75000 0.66261 1.0000 + O O1003 1.0 0.70833 0.79167 0.66261 1.0000 + O O1004 1.0 0.75000 0.83333 0.66261 1.0000 + O O1005 1.0 0.79167 0.87500 0.66261 1.0000 + O O1006 1.0 0.83333 0.91667 0.66261 1.0000 + O O1007 1.0 0.87500 0.95833 0.66261 1.0000 + O O1008 1.0 0.91667 0.00000 0.66261 1.0000 + O O1009 1.0 0.02092 0.02059 0.66183 1.0000 + O O1010 1.0 0.06258 0.06225 0.66183 1.0000 + O O1011 1.0 0.10425 0.10392 0.66183 1.0000 + O O1012 1.0 0.14592 0.14559 0.66183 1.0000 + O O1013 1.0 0.18758 0.18725 0.66183 1.0000 + O O1014 1.0 0.22925 0.22892 0.66183 1.0000 + O O1015 1.0 0.27092 0.27059 0.66183 1.0000 + O O1016 1.0 0.31258 0.31225 0.66183 1.0000 + O O1017 1.0 0.35425 0.35392 0.66183 1.0000 + O O1018 1.0 0.39592 0.39559 0.66183 1.0000 + O O1019 1.0 0.43758 0.43725 0.66183 1.0000 + O O1020 1.0 0.47925 0.47892 0.66183 1.0000 + O O1021 1.0 0.06258 0.97892 0.66183 1.0000 + O O1022 1.0 0.10425 0.02059 0.66183 1.0000 + O O1023 1.0 0.14592 0.06225 0.66183 1.0000 + O O1024 1.0 0.18758 0.10392 0.66183 1.0000 + O O1025 1.0 0.22925 0.14559 0.66183 1.0000 + O O1026 1.0 0.27092 0.18725 0.66183 1.0000 + O O1027 1.0 0.31258 0.22892 0.66183 1.0000 + O O1028 1.0 0.35425 0.27059 0.66183 1.0000 + O O1029 1.0 0.39592 0.31225 0.66183 1.0000 + O O1030 1.0 0.43758 0.35392 0.66183 1.0000 + O O1031 1.0 0.47925 0.39559 0.66183 1.0000 + O O1032 1.0 0.52092 0.43725 0.66183 1.0000 + O O1033 1.0 0.10425 0.93725 0.66183 1.0000 + O O1034 1.0 0.14592 0.97892 0.66183 1.0000 + O O1035 1.0 0.18758 0.02059 0.66183 1.0000 + O O1036 1.0 0.22925 0.06225 0.66183 1.0000 + O O1037 1.0 0.27092 0.10392 0.66183 1.0000 + O O1038 1.0 0.31258 0.14559 0.66183 1.0000 + O O1039 1.0 0.35425 0.18725 0.66183 1.0000 + O O1040 1.0 0.39592 0.22892 0.66183 1.0000 + O O1041 1.0 0.43758 0.27059 0.66183 1.0000 + O O1042 1.0 0.47925 0.31225 0.66183 1.0000 + O O1043 1.0 0.52092 0.35392 0.66183 1.0000 + O O1044 1.0 0.56258 0.39559 0.66183 1.0000 + O O1045 1.0 0.14592 0.89559 0.66183 1.0000 + O O1046 1.0 0.18758 0.93725 0.66183 1.0000 + O O1047 1.0 0.22925 0.97892 0.66183 1.0000 + O O1048 1.0 0.27092 0.02059 0.66183 1.0000 + O O1049 1.0 0.31258 0.06225 0.66183 1.0000 + O O1050 1.0 0.35425 0.10392 0.66183 1.0000 + O O1051 1.0 0.39592 0.14559 0.66183 1.0000 + O O1052 1.0 0.43758 0.18725 0.66183 1.0000 + O O1053 1.0 0.47925 0.22892 0.66183 1.0000 + O O1054 1.0 0.52092 0.27059 0.66183 1.0000 + O O1055 1.0 0.56258 0.31225 0.66183 1.0000 + O O1056 1.0 0.60425 0.35392 0.66183 1.0000 + O O1057 1.0 0.18758 0.85392 0.66183 1.0000 + O O1058 1.0 0.22925 0.89559 0.66183 1.0000 + O O1059 1.0 0.27092 0.93725 0.66183 1.0000 + O O1060 1.0 0.31258 0.97892 0.66183 1.0000 + O O1061 1.0 0.35425 0.02059 0.66183 1.0000 + O O1062 1.0 0.39592 0.06225 0.66183 1.0000 + O O1063 1.0 0.43758 0.10392 0.66183 1.0000 + O O1064 1.0 0.47925 0.14559 0.66183 1.0000 + O O1065 1.0 0.52092 0.18725 0.66183 1.0000 + O O1066 1.0 0.56258 0.22892 0.66183 1.0000 + O O1067 1.0 0.60425 0.27059 0.66183 1.0000 + O O1068 1.0 0.64592 0.31225 0.66183 1.0000 + O O1069 1.0 0.22925 0.81225 0.66183 1.0000 + O O1070 1.0 0.27092 0.85392 0.66183 1.0000 + O O1071 1.0 0.31258 0.89559 0.66183 1.0000 + O O1072 1.0 0.35425 0.93725 0.66183 1.0000 + O O1073 1.0 0.39592 0.97892 0.66183 1.0000 + O O1074 1.0 0.43758 0.02059 0.66183 1.0000 + O O1075 1.0 0.47925 0.06225 0.66183 1.0000 + O O1076 1.0 0.52092 0.10392 0.66183 1.0000 + O O1077 1.0 0.56258 0.14559 0.66183 1.0000 + O O1078 1.0 0.60425 0.18725 0.66183 1.0000 + O O1079 1.0 0.64592 0.22892 0.66183 1.0000 + O O1080 1.0 0.68758 0.27059 0.66183 1.0000 + O O1081 1.0 0.27092 0.77059 0.66183 1.0000 + O O1082 1.0 0.31258 0.81225 0.66183 1.0000 + O O1083 1.0 0.35425 0.85392 0.66183 1.0000 + O O1084 1.0 0.39592 0.89559 0.66183 1.0000 + O O1085 1.0 0.43758 0.93725 0.66183 1.0000 + O O1086 1.0 0.47925 0.97892 0.66183 1.0000 + O O1087 1.0 0.52092 0.02059 0.66183 1.0000 + O O1088 1.0 0.56258 0.06225 0.66183 1.0000 + O O1089 1.0 0.60425 0.10392 0.66183 1.0000 + O O1090 1.0 0.64592 0.14559 0.66183 1.0000 + O O1091 1.0 0.68758 0.18725 0.66183 1.0000 + O O1092 1.0 0.72925 0.22892 0.66183 1.0000 + O O1093 1.0 0.31258 0.72892 0.66183 1.0000 + O O1094 1.0 0.35425 0.77059 0.66183 1.0000 + O O1095 1.0 0.39592 0.81225 0.66183 1.0000 + O O1096 1.0 0.43758 0.85392 0.66183 1.0000 + O O1097 1.0 0.47925 0.89559 0.66183 1.0000 + O O1098 1.0 0.52092 0.93725 0.66183 1.0000 + O O1099 1.0 0.56258 0.97892 0.66183 1.0000 + O O1100 1.0 0.60425 0.02059 0.66183 1.0000 + O O1101 1.0 0.64592 0.06225 0.66183 1.0000 + O O1102 1.0 0.68758 0.10392 0.66183 1.0000 + O O1103 1.0 0.72925 0.14559 0.66183 1.0000 + O O1104 1.0 0.77092 0.18725 0.66183 1.0000 + O O1105 1.0 0.35425 0.68725 0.66183 1.0000 + O O1106 1.0 0.39592 0.72892 0.66183 1.0000 + O O1107 1.0 0.43758 0.77059 0.66183 1.0000 + O O1108 1.0 0.47925 0.81225 0.66183 1.0000 + O O1109 1.0 0.52092 0.85392 0.66183 1.0000 + O O1110 1.0 0.56258 0.89559 0.66183 1.0000 + O O1111 1.0 0.60425 0.93725 0.66183 1.0000 + O O1112 1.0 0.64592 0.97892 0.66183 1.0000 + O O1113 1.0 0.68758 0.02059 0.66183 1.0000 + O O1114 1.0 0.72925 0.06225 0.66183 1.0000 + O O1115 1.0 0.77092 0.10392 0.66183 1.0000 + O O1116 1.0 0.81258 0.14559 0.66183 1.0000 + O O1117 1.0 0.39592 0.64559 0.66183 1.0000 + O O1118 1.0 0.43758 0.68725 0.66183 1.0000 + O O1119 1.0 0.47925 0.72892 0.66183 1.0000 + O O1120 1.0 0.52092 0.77059 0.66183 1.0000 + O O1121 1.0 0.56258 0.81225 0.66183 1.0000 + O O1122 1.0 0.60425 0.85392 0.66183 1.0000 + O O1123 1.0 0.64592 0.89559 0.66183 1.0000 + O O1124 1.0 0.68758 0.93725 0.66183 1.0000 + O O1125 1.0 0.72925 0.97892 0.66183 1.0000 + O O1126 1.0 0.77092 0.02059 0.66183 1.0000 + O O1127 1.0 0.81258 0.06225 0.66183 1.0000 + O O1128 1.0 0.85425 0.10392 0.66183 1.0000 + O O1129 1.0 0.43758 0.60392 0.66183 1.0000 + O O1130 1.0 0.47925 0.64559 0.66183 1.0000 + O O1131 1.0 0.52092 0.68725 0.66183 1.0000 + O O1132 1.0 0.56258 0.72892 0.66183 1.0000 + O O1133 1.0 0.60425 0.77059 0.66183 1.0000 + O O1134 1.0 0.64592 0.81225 0.66183 1.0000 + O O1135 1.0 0.68758 0.85392 0.66183 1.0000 + O O1136 1.0 0.72925 0.89559 0.66183 1.0000 + O O1137 1.0 0.77092 0.93725 0.66183 1.0000 + O O1138 1.0 0.81258 0.97892 0.66183 1.0000 + O O1139 1.0 0.85425 0.02059 0.66183 1.0000 + O O1140 1.0 0.89592 0.06225 0.66183 1.0000 + O O1141 1.0 0.47925 0.56225 0.66183 1.0000 + O O1142 1.0 0.52092 0.60392 0.66183 1.0000 + O O1143 1.0 0.56258 0.64559 0.66183 1.0000 + O O1144 1.0 0.60425 0.68725 0.66183 1.0000 + O O1145 1.0 0.64592 0.72892 0.66183 1.0000 + O O1146 1.0 0.68758 0.77059 0.66183 1.0000 + O O1147 1.0 0.72925 0.81225 0.66183 1.0000 + O O1148 1.0 0.77092 0.85392 0.66183 1.0000 + O O1149 1.0 0.81258 0.89559 0.66183 1.0000 + O O1150 1.0 0.85425 0.93725 0.66183 1.0000 + O O1151 1.0 0.89592 0.97892 0.66183 1.0000 + O O1152 1.0 0.93758 0.02059 0.66183 1.0000 + Mn Mn433 1.0 0.53472 0.47917 0.50000 1.0000 + Mn Mn434 1.0 0.57639 0.52083 0.50000 1.0000 + Mn Mn435 1.0 0.61806 0.56250 0.50000 1.0000 + Mn Mn436 1.0 0.65972 0.60417 0.50000 1.0000 + Mn Mn437 1.0 0.70139 0.64583 0.50000 1.0000 + Mn Mn438 1.0 0.74306 0.68750 0.50000 1.0000 + Mn Mn439 1.0 0.78472 0.72917 0.50000 1.0000 + Mn Mn440 1.0 0.82639 0.77083 0.50000 1.0000 + Mn Mn441 1.0 0.86806 0.81250 0.50000 1.0000 + Mn Mn442 1.0 0.90972 0.85417 0.50000 1.0000 + Mn Mn443 1.0 0.95139 0.89583 0.50000 1.0000 + Mn Mn444 1.0 0.99306 0.93750 0.50000 1.0000 + Mn Mn445 1.0 0.57639 0.43750 0.50000 1.0000 + Mn Mn446 1.0 0.61806 0.47917 0.50000 1.0000 + Mn Mn447 1.0 0.65972 0.52083 0.50000 1.0000 + Mn Mn448 1.0 0.70139 0.56250 0.50000 1.0000 + Mn Mn449 1.0 0.74306 0.60417 0.50000 1.0000 + Mn Mn450 1.0 0.78472 0.64583 0.50000 1.0000 + Mn Mn451 1.0 0.82639 0.68750 0.50000 1.0000 + Mn Mn452 1.0 0.86806 0.72917 0.50000 1.0000 + Mn Mn453 1.0 0.90972 0.77083 0.50000 1.0000 + Mn Mn454 1.0 0.95139 0.81250 0.50000 1.0000 + Mn Mn455 1.0 0.99306 0.85417 0.50000 1.0000 + Mn Mn456 1.0 0.03472 0.89583 0.50000 1.0000 + Mn Mn457 1.0 0.61806 0.39583 0.50000 1.0000 + Mn Mn458 1.0 0.65972 0.43750 0.50000 1.0000 + Mn Mn459 1.0 0.70139 0.47917 0.50000 1.0000 + Mn Mn460 1.0 0.74306 0.52083 0.50000 1.0000 + Mn Mn461 1.0 0.78472 0.56250 0.50000 1.0000 + Mn Mn462 1.0 0.82639 0.60417 0.50000 1.0000 + Mn Mn463 1.0 0.86806 0.64583 0.50000 1.0000 + Mn Mn464 1.0 0.90972 0.68750 0.50000 1.0000 + Mn Mn465 1.0 0.95139 0.72917 0.50000 1.0000 + Mn Mn466 1.0 0.99306 0.77083 0.50000 1.0000 + Mn Mn467 1.0 0.03472 0.81250 0.50000 1.0000 + Mn Mn468 1.0 0.07639 0.85417 0.50000 1.0000 + Mn Mn469 1.0 0.65972 0.35417 0.50000 1.0000 + Mn Mn470 1.0 0.70139 0.39583 0.50000 1.0000 + Mn Mn471 1.0 0.74306 0.43750 0.50000 1.0000 + Mn Mn472 1.0 0.78472 0.47917 0.50000 1.0000 + Mn Mn473 1.0 0.82639 0.52083 0.50000 1.0000 + Mn Mn474 1.0 0.86806 0.56250 0.50000 1.0000 + Mn Mn475 1.0 0.90972 0.60417 0.50000 1.0000 + Mn Mn476 1.0 0.95139 0.64583 0.50000 1.0000 + Mn Mn477 1.0 0.99306 0.68750 0.50000 1.0000 + Mn Mn478 1.0 0.03472 0.72917 0.50000 1.0000 + Mn Mn479 1.0 0.07639 0.77083 0.50000 1.0000 + Mn Mn480 1.0 0.11806 0.81250 0.50000 1.0000 + Mn Mn481 1.0 0.70139 0.31250 0.50000 1.0000 + Mn Mn482 1.0 0.74306 0.35417 0.50000 1.0000 + Mn Mn483 1.0 0.78472 0.39583 0.50000 1.0000 + Mn Mn484 1.0 0.82639 0.43750 0.50000 1.0000 + Mn Mn485 1.0 0.86806 0.47917 0.50000 1.0000 + Mn Mn486 1.0 0.90972 0.52083 0.50000 1.0000 + Mn Mn487 1.0 0.95139 0.56250 0.50000 1.0000 + Mn Mn488 1.0 0.99306 0.60417 0.50000 1.0000 + Mn Mn489 1.0 0.03472 0.64583 0.50000 1.0000 + Mn Mn490 1.0 0.07639 0.68750 0.50000 1.0000 + Mn Mn491 1.0 0.11806 0.72917 0.50000 1.0000 + Mn Mn492 1.0 0.15972 0.77083 0.50000 1.0000 + Mn Mn493 1.0 0.74306 0.27083 0.50000 1.0000 + Mn Mn494 1.0 0.78472 0.31250 0.50000 1.0000 + Mn Mn495 1.0 0.82639 0.35417 0.50000 1.0000 + Mn Mn496 1.0 0.86806 0.39583 0.50000 1.0000 + Mn Mn497 1.0 0.90972 0.43750 0.50000 1.0000 + Mn Mn498 1.0 0.95139 0.47917 0.50000 1.0000 + Mn Mn499 1.0 0.99306 0.52083 0.50000 1.0000 + Mn Mn500 1.0 0.03472 0.56250 0.50000 1.0000 + Mn Mn501 1.0 0.07639 0.60417 0.50000 1.0000 + Mn Mn502 1.0 0.11806 0.64583 0.50000 1.0000 + Mn Mn503 1.0 0.15972 0.68750 0.50000 1.0000 + Mn Mn504 1.0 0.20139 0.72917 0.50000 1.0000 + Mn Mn505 1.0 0.78472 0.22917 0.50000 1.0000 + Mn Mn506 1.0 0.82639 0.27083 0.50000 1.0000 + Mn Mn507 1.0 0.86806 0.31250 0.50000 1.0000 + Mn Mn508 1.0 0.90972 0.35417 0.50000 1.0000 + Mn Mn509 1.0 0.95139 0.39583 0.50000 1.0000 + Mn Mn510 1.0 0.99306 0.43750 0.50000 1.0000 + Mn Mn511 1.0 0.03472 0.47917 0.50000 1.0000 + Mn Mn512 1.0 0.07639 0.52083 0.50000 1.0000 + Mn Mn513 1.0 0.11806 0.56250 0.50000 1.0000 + Mn Mn514 1.0 0.15972 0.60417 0.50000 1.0000 + Mn Mn515 1.0 0.20139 0.64583 0.50000 1.0000 + Mn Mn516 1.0 0.24306 0.68750 0.50000 1.0000 + Mn Mn517 1.0 0.82639 0.18750 0.50000 1.0000 + Mn Mn518 1.0 0.86806 0.22917 0.50000 1.0000 + Mn Mn519 1.0 0.90972 0.27083 0.50000 1.0000 + Mn Mn520 1.0 0.95139 0.31250 0.50000 1.0000 + Mn Mn521 1.0 0.99306 0.35417 0.50000 1.0000 + Mn Mn522 1.0 0.03472 0.39583 0.50000 1.0000 + Mn Mn523 1.0 0.07639 0.43750 0.50000 1.0000 + Mn Mn524 1.0 0.11806 0.47917 0.50000 1.0000 + Mn Mn525 1.0 0.15972 0.52083 0.50000 1.0000 + Mn Mn526 1.0 0.20139 0.56250 0.50000 1.0000 + Mn Mn527 1.0 0.24306 0.60417 0.50000 1.0000 + Mn Mn528 1.0 0.28472 0.64583 0.50000 1.0000 + Mn Mn529 1.0 0.86806 0.14583 0.50000 1.0000 + Mn Mn530 1.0 0.90972 0.18750 0.50000 1.0000 + Mn Mn531 1.0 0.95139 0.22917 0.50000 1.0000 + Mn Mn532 1.0 0.99306 0.27083 0.50000 1.0000 + Mn Mn533 1.0 0.03472 0.31250 0.50000 1.0000 + Mn Mn534 1.0 0.07639 0.35417 0.50000 1.0000 + Mn Mn535 1.0 0.11806 0.39583 0.50000 1.0000 + Mn Mn536 1.0 0.15972 0.43750 0.50000 1.0000 + Mn Mn537 1.0 0.20139 0.47917 0.50000 1.0000 + Mn Mn538 1.0 0.24306 0.52083 0.50000 1.0000 + Mn Mn539 1.0 0.28472 0.56250 0.50000 1.0000 + Mn Mn540 1.0 0.32639 0.60417 0.50000 1.0000 + Mn Mn541 1.0 0.90972 0.10417 0.50000 1.0000 + Mn Mn542 1.0 0.95139 0.14583 0.50000 1.0000 + Mn Mn543 1.0 0.99306 0.18750 0.50000 1.0000 + Mn Mn544 1.0 0.03472 0.22917 0.50000 1.0000 + Mn Mn545 1.0 0.07639 0.27083 0.50000 1.0000 + Mn Mn546 1.0 0.11806 0.31250 0.50000 1.0000 + Mn Mn547 1.0 0.15972 0.35417 0.50000 1.0000 + Mn Mn548 1.0 0.20139 0.39583 0.50000 1.0000 + Mn Mn549 1.0 0.24306 0.43750 0.50000 1.0000 + Mn Mn550 1.0 0.28472 0.47917 0.50000 1.0000 + Mn Mn551 1.0 0.32639 0.52083 0.50000 1.0000 + Mn Mn552 1.0 0.36806 0.56250 0.50000 1.0000 + Mn Mn553 1.0 0.95139 0.06250 0.50000 1.0000 + Mn Mn554 1.0 0.99306 0.10417 0.50000 1.0000 + Mn Mn555 1.0 0.03472 0.14583 0.50000 1.0000 + Mn Mn556 1.0 0.07639 0.18750 0.50000 1.0000 + Mn Mn557 1.0 0.11806 0.22917 0.50000 1.0000 + Mn Mn558 1.0 0.15972 0.27083 0.50000 1.0000 + Mn Mn559 1.0 0.20139 0.31250 0.50000 1.0000 + Mn Mn560 1.0 0.24306 0.35417 0.50000 1.0000 + Mn Mn561 1.0 0.28472 0.39583 0.50000 1.0000 + Mn Mn562 1.0 0.32639 0.43750 0.50000 1.0000 + Mn Mn563 1.0 0.36806 0.47917 0.50000 1.0000 + Mn Mn564 1.0 0.40972 0.52083 0.50000 1.0000 + Mn Mn565 1.0 0.99306 0.02083 0.50000 1.0000 + Mn Mn566 1.0 0.03472 0.06250 0.50000 1.0000 + Mn Mn567 1.0 0.07639 0.10417 0.50000 1.0000 + Mn Mn568 1.0 0.11806 0.14583 0.50000 1.0000 + Mn Mn569 1.0 0.15972 0.18750 0.50000 1.0000 + Mn Mn570 1.0 0.20139 0.22917 0.50000 1.0000 + Mn Mn571 1.0 0.24306 0.27083 0.50000 1.0000 + Mn Mn572 1.0 0.28472 0.31250 0.50000 1.0000 + Mn Mn573 1.0 0.32639 0.35417 0.50000 1.0000 + Mn Mn574 1.0 0.36806 0.39583 0.50000 1.0000 + Mn Mn575 1.0 0.40972 0.43750 0.50000 1.0000 + Mn Mn576 1.0 0.45139 0.47917 0.50000 1.0000 + Mn Mn577 1.0 0.51389 0.50000 0.50000 1.0000 + Mn Mn578 1.0 0.55556 0.54167 0.50000 1.0000 + Mn Mn579 1.0 0.59722 0.58333 0.50000 1.0000 + Mn Mn580 1.0 0.63889 0.62500 0.50000 1.0000 + Mn Mn581 1.0 0.68056 0.66667 0.50000 1.0000 + Mn Mn582 1.0 0.72222 0.70833 0.50000 1.0000 + Mn Mn583 1.0 0.76389 0.75000 0.50000 1.0000 + Mn Mn584 1.0 0.80556 0.79167 0.50000 1.0000 + Mn Mn585 1.0 0.84722 0.83333 0.50000 1.0000 + Mn Mn586 1.0 0.88889 0.87500 0.50000 1.0000 + Mn Mn587 1.0 0.93056 0.91667 0.50000 1.0000 + Mn Mn588 1.0 0.97222 0.95833 0.50000 1.0000 + Mn Mn589 1.0 0.55556 0.45833 0.50000 1.0000 + Mn Mn590 1.0 0.59722 0.50000 0.50000 1.0000 + Mn Mn591 1.0 0.63889 0.54167 0.50000 1.0000 + Mn Mn592 1.0 0.68056 0.58333 0.50000 1.0000 + Mn Mn593 1.0 0.72222 0.62500 0.50000 1.0000 + Mn Mn594 1.0 0.76389 0.66667 0.50000 1.0000 + Mn Mn595 1.0 0.80556 0.70833 0.50000 1.0000 + Mn Mn596 1.0 0.84722 0.75000 0.50000 1.0000 + Mn Mn597 1.0 0.88889 0.79167 0.50000 1.0000 + Mn Mn598 1.0 0.93056 0.83333 0.50000 1.0000 + Mn Mn599 1.0 0.97222 0.87500 0.50000 1.0000 + Mn Mn600 1.0 0.01389 0.91667 0.50000 1.0000 + Mn Mn601 1.0 0.59722 0.41667 0.50000 1.0000 + Mn Mn602 1.0 0.63889 0.45833 0.50000 1.0000 + Mn Mn603 1.0 0.68056 0.50000 0.50000 1.0000 + Mn Mn604 1.0 0.72222 0.54167 0.50000 1.0000 + Mn Mn605 1.0 0.76389 0.58333 0.50000 1.0000 + Mn Mn606 1.0 0.80556 0.62500 0.50000 1.0000 + Mn Mn607 1.0 0.84722 0.66667 0.50000 1.0000 + Mn Mn608 1.0 0.88889 0.70833 0.50000 1.0000 + Mn Mn609 1.0 0.93056 0.75000 0.50000 1.0000 + Mn Mn610 1.0 0.97222 0.79167 0.50000 1.0000 + Mn Mn611 1.0 0.01389 0.83333 0.50000 1.0000 + Mn Mn612 1.0 0.05556 0.87500 0.50000 1.0000 + Mn Mn613 1.0 0.63889 0.37500 0.50000 1.0000 + Mn Mn614 1.0 0.68056 0.41667 0.50000 1.0000 + Mn Mn615 1.0 0.72222 0.45833 0.50000 1.0000 + Mn Mn616 1.0 0.76389 0.50000 0.50000 1.0000 + Mn Mn617 1.0 0.80556 0.54167 0.50000 1.0000 + Mn Mn618 1.0 0.84722 0.58333 0.50000 1.0000 + Mn Mn619 1.0 0.88889 0.62500 0.50000 1.0000 + Mn Mn620 1.0 0.93056 0.66667 0.50000 1.0000 + Mn Mn621 1.0 0.97222 0.70833 0.50000 1.0000 + Mn Mn622 1.0 0.01389 0.75000 0.50000 1.0000 + Mn Mn623 1.0 0.05556 0.79167 0.50000 1.0000 + Mn Mn624 1.0 0.09722 0.83333 0.50000 1.0000 + Mn Mn625 1.0 0.68056 0.33333 0.50000 1.0000 + Mn Mn626 1.0 0.72222 0.37500 0.50000 1.0000 + Mn Mn627 1.0 0.76389 0.41667 0.50000 1.0000 + Mn Mn628 1.0 0.80556 0.45833 0.50000 1.0000 + Mn Mn629 1.0 0.84722 0.50000 0.50000 1.0000 + Mn Mn630 1.0 0.88889 0.54167 0.50000 1.0000 + Mn Mn631 1.0 0.93056 0.58333 0.50000 1.0000 + Mn Mn632 1.0 0.97222 0.62500 0.50000 1.0000 + Mn Mn633 1.0 0.01389 0.66667 0.50000 1.0000 + Mn Mn634 1.0 0.05556 0.70833 0.50000 1.0000 + Mn Mn635 1.0 0.09722 0.75000 0.50000 1.0000 + Mn Mn636 1.0 0.13889 0.79167 0.50000 1.0000 + Mn Mn637 1.0 0.72222 0.29167 0.50000 1.0000 + Mn Mn638 1.0 0.76389 0.33333 0.50000 1.0000 + Mn Mn639 1.0 0.80556 0.37500 0.50000 1.0000 + Mn Mn640 1.0 0.84722 0.41667 0.50000 1.0000 + Mn Mn641 1.0 0.88889 0.45833 0.50000 1.0000 + Mn Mn642 1.0 0.93056 0.50000 0.50000 1.0000 + Mn Mn643 1.0 0.97222 0.54167 0.50000 1.0000 + Mn Mn644 1.0 0.01389 0.58333 0.50000 1.0000 + Mn Mn645 1.0 0.05556 0.62500 0.50000 1.0000 + Mn Mn646 1.0 0.09722 0.66667 0.50000 1.0000 + Mn Mn647 1.0 0.13889 0.70833 0.50000 1.0000 + Mn Mn648 1.0 0.18056 0.75000 0.50000 1.0000 + Mn Mn649 1.0 0.76389 0.25000 0.50000 1.0000 + Mn Mn650 1.0 0.80556 0.29167 0.50000 1.0000 + Mn Mn651 1.0 0.84722 0.33333 0.50000 1.0000 + Mn Mn652 1.0 0.88889 0.37500 0.50000 1.0000 + Mn Mn653 1.0 0.93056 0.41667 0.50000 1.0000 + Mn Mn654 1.0 0.97222 0.45833 0.50000 1.0000 + Mn Mn655 1.0 0.01389 0.50000 0.50000 1.0000 + Mn Mn656 1.0 0.05556 0.54167 0.50000 1.0000 + Mn Mn657 1.0 0.09722 0.58333 0.50000 1.0000 + Mn Mn658 1.0 0.13889 0.62500 0.50000 1.0000 + Mn Mn659 1.0 0.18056 0.66667 0.50000 1.0000 + Mn Mn660 1.0 0.22222 0.70833 0.50000 1.0000 + Mn Mn661 1.0 0.80556 0.20833 0.50000 1.0000 + Mn Mn662 1.0 0.84722 0.25000 0.50000 1.0000 + Mn Mn663 1.0 0.88889 0.29167 0.50000 1.0000 + Mn Mn664 1.0 0.93056 0.33333 0.50000 1.0000 + Mn Mn665 1.0 0.97222 0.37500 0.50000 1.0000 + Mn Mn666 1.0 0.01389 0.41667 0.50000 1.0000 + Mn Mn667 1.0 0.05556 0.45833 0.50000 1.0000 + Mn Mn668 1.0 0.09722 0.50000 0.50000 1.0000 + Mn Mn669 1.0 0.13889 0.54167 0.50000 1.0000 + Mn Mn670 1.0 0.18056 0.58333 0.50000 1.0000 + Mn Mn671 1.0 0.22222 0.62500 0.50000 1.0000 + Mn Mn672 1.0 0.26389 0.66667 0.50000 1.0000 + Mn Mn673 1.0 0.84722 0.16667 0.50000 1.0000 + Mn Mn674 1.0 0.88889 0.20833 0.50000 1.0000 + Mn Mn675 1.0 0.93056 0.25000 0.50000 1.0000 + Mn Mn676 1.0 0.97222 0.29167 0.50000 1.0000 + Mn Mn677 1.0 0.01389 0.33333 0.50000 1.0000 + Mn Mn678 1.0 0.05556 0.37500 0.50000 1.0000 + Mn Mn679 1.0 0.09722 0.41667 0.50000 1.0000 + Mn Mn680 1.0 0.13889 0.45833 0.50000 1.0000 + Mn Mn681 1.0 0.18056 0.50000 0.50000 1.0000 + Mn Mn682 1.0 0.22222 0.54167 0.50000 1.0000 + Mn Mn683 1.0 0.26389 0.58333 0.50000 1.0000 + Mn Mn684 1.0 0.30556 0.62500 0.50000 1.0000 + Mn Mn685 1.0 0.88889 0.12500 0.50000 1.0000 + Mn Mn686 1.0 0.93056 0.16667 0.50000 1.0000 + Mn Mn687 1.0 0.97222 0.20833 0.50000 1.0000 + Mn Mn688 1.0 0.01389 0.25000 0.50000 1.0000 + Mn Mn689 1.0 0.05556 0.29167 0.50000 1.0000 + Mn Mn690 1.0 0.09722 0.33333 0.50000 1.0000 + Mn Mn691 1.0 0.13889 0.37500 0.50000 1.0000 + Mn Mn692 1.0 0.18056 0.41667 0.50000 1.0000 + Mn Mn693 1.0 0.22222 0.45833 0.50000 1.0000 + Mn Mn694 1.0 0.26389 0.50000 0.50000 1.0000 + Mn Mn695 1.0 0.30556 0.54167 0.50000 1.0000 + Mn Mn696 1.0 0.34722 0.58333 0.50000 1.0000 + Mn Mn697 1.0 0.93056 0.08333 0.50000 1.0000 + Mn Mn698 1.0 0.97222 0.12500 0.50000 1.0000 + Mn Mn699 1.0 0.01389 0.16667 0.50000 1.0000 + Mn Mn700 1.0 0.05556 0.20833 0.50000 1.0000 + Mn Mn701 1.0 0.09722 0.25000 0.50000 1.0000 + Mn Mn702 1.0 0.13889 0.29167 0.50000 1.0000 + Mn Mn703 1.0 0.18056 0.33333 0.50000 1.0000 + Mn Mn704 1.0 0.22222 0.37500 0.50000 1.0000 + Mn Mn705 1.0 0.26389 0.41667 0.50000 1.0000 + Mn Mn706 1.0 0.30556 0.45833 0.50000 1.0000 + Mn Mn707 1.0 0.34722 0.50000 0.50000 1.0000 + Mn Mn708 1.0 0.38889 0.54167 0.50000 1.0000 + Mn Mn709 1.0 0.97222 0.04167 0.50000 1.0000 + Mn Mn710 1.0 0.01389 0.08333 0.50000 1.0000 + Mn Mn711 1.0 0.05556 0.12500 0.50000 1.0000 + Mn Mn712 1.0 0.09722 0.16667 0.50000 1.0000 + Mn Mn713 1.0 0.13889 0.20833 0.50000 1.0000 + Mn Mn714 1.0 0.18056 0.25000 0.50000 1.0000 + Mn Mn715 1.0 0.22222 0.29167 0.50000 1.0000 + Mn Mn716 1.0 0.26389 0.33333 0.50000 1.0000 + Mn Mn717 1.0 0.30556 0.37500 0.50000 1.0000 + Mn Mn718 1.0 0.34722 0.41667 0.50000 1.0000 + Mn Mn719 1.0 0.38889 0.45833 0.50000 1.0000 + Mn Mn720 1.0 0.43056 0.50000 0.50000 1.0000 + Mn Mn721 1.0 0.53472 0.52083 0.50000 1.0000 + Mn Mn722 1.0 0.57639 0.56250 0.50000 1.0000 + Mn Mn723 1.0 0.61806 0.60417 0.50000 1.0000 + Mn Mn724 1.0 0.65972 0.64583 0.50000 1.0000 + Mn Mn725 1.0 0.70139 0.68750 0.50000 1.0000 + Mn Mn726 1.0 0.74306 0.72917 0.50000 1.0000 + Mn Mn727 1.0 0.78472 0.77083 0.50000 1.0000 + Mn Mn728 1.0 0.82639 0.81250 0.50000 1.0000 + Mn Mn729 1.0 0.86806 0.85417 0.50000 1.0000 + Mn Mn730 1.0 0.90972 0.89583 0.50000 1.0000 + Mn Mn731 1.0 0.95139 0.93750 0.50000 1.0000 + Mn Mn732 1.0 0.99306 0.97917 0.50000 1.0000 + Mn Mn733 1.0 0.57639 0.47917 0.50000 1.0000 + Mn Mn734 1.0 0.61806 0.52083 0.50000 1.0000 + Mn Mn735 1.0 0.65972 0.56250 0.50000 1.0000 + Mn Mn736 1.0 0.70139 0.60417 0.50000 1.0000 + Mn Mn737 1.0 0.74306 0.64583 0.50000 1.0000 + Mn Mn738 1.0 0.78472 0.68750 0.50000 1.0000 + Mn Mn739 1.0 0.82639 0.72917 0.50000 1.0000 + Mn Mn740 1.0 0.86806 0.77083 0.50000 1.0000 + Mn Mn741 1.0 0.90972 0.81250 0.50000 1.0000 + Mn Mn742 1.0 0.95139 0.85417 0.50000 1.0000 + Mn Mn743 1.0 0.99306 0.89583 0.50000 1.0000 + Mn Mn744 1.0 0.03472 0.93750 0.50000 1.0000 + Mn Mn745 1.0 0.61806 0.43750 0.50000 1.0000 + Mn Mn746 1.0 0.65972 0.47917 0.50000 1.0000 + Mn Mn747 1.0 0.70139 0.52083 0.50000 1.0000 + Mn Mn748 1.0 0.74306 0.56250 0.50000 1.0000 + Mn Mn749 1.0 0.78472 0.60417 0.50000 1.0000 + Mn Mn750 1.0 0.82639 0.64583 0.50000 1.0000 + Mn Mn751 1.0 0.86806 0.68750 0.50000 1.0000 + Mn Mn752 1.0 0.90972 0.72917 0.50000 1.0000 + Mn Mn753 1.0 0.95139 0.77083 0.50000 1.0000 + Mn Mn754 1.0 0.99306 0.81250 0.50000 1.0000 + Mn Mn755 1.0 0.03472 0.85417 0.50000 1.0000 + Mn Mn756 1.0 0.07639 0.89583 0.50000 1.0000 + Mn Mn757 1.0 0.65972 0.39583 0.50000 1.0000 + Mn Mn758 1.0 0.70139 0.43750 0.50000 1.0000 + Mn Mn759 1.0 0.74306 0.47917 0.50000 1.0000 + Mn Mn760 1.0 0.78472 0.52083 0.50000 1.0000 + Mn Mn761 1.0 0.82639 0.56250 0.50000 1.0000 + Mn Mn762 1.0 0.86806 0.60417 0.50000 1.0000 + Mn Mn763 1.0 0.90972 0.64583 0.50000 1.0000 + Mn Mn764 1.0 0.95139 0.68750 0.50000 1.0000 + Mn Mn765 1.0 0.99306 0.72917 0.50000 1.0000 + Mn Mn766 1.0 0.03472 0.77083 0.50000 1.0000 + Mn Mn767 1.0 0.07639 0.81250 0.50000 1.0000 + Mn Mn768 1.0 0.11806 0.85417 0.50000 1.0000 + Mn Mn769 1.0 0.70139 0.35417 0.50000 1.0000 + Mn Mn770 1.0 0.74306 0.39583 0.50000 1.0000 + Mn Mn771 1.0 0.78472 0.43750 0.50000 1.0000 + Mn Mn772 1.0 0.82639 0.47917 0.50000 1.0000 + Mn Mn773 1.0 0.86806 0.52083 0.50000 1.0000 + Mn Mn774 1.0 0.90972 0.56250 0.50000 1.0000 + Mn Mn775 1.0 0.95139 0.60417 0.50000 1.0000 + Mn Mn776 1.0 0.99306 0.64583 0.50000 1.0000 + Mn Mn777 1.0 0.03472 0.68750 0.50000 1.0000 + Mn Mn778 1.0 0.07639 0.72917 0.50000 1.0000 + Mn Mn779 1.0 0.11806 0.77083 0.50000 1.0000 + Mn Mn780 1.0 0.15972 0.81250 0.50000 1.0000 + Mn Mn781 1.0 0.74306 0.31250 0.50000 1.0000 + Mn Mn782 1.0 0.78472 0.35417 0.50000 1.0000 + Mn Mn783 1.0 0.82639 0.39583 0.50000 1.0000 + Mn Mn784 1.0 0.86806 0.43750 0.50000 1.0000 + Mn Mn785 1.0 0.90972 0.47917 0.50000 1.0000 + Mn Mn786 1.0 0.95139 0.52083 0.50000 1.0000 + Mn Mn787 1.0 0.99306 0.56250 0.50000 1.0000 + Mn Mn788 1.0 0.03472 0.60417 0.50000 1.0000 + Mn Mn789 1.0 0.07639 0.64583 0.50000 1.0000 + Mn Mn790 1.0 0.11806 0.68750 0.50000 1.0000 + Mn Mn791 1.0 0.15972 0.72917 0.50000 1.0000 + Mn Mn792 1.0 0.20139 0.77083 0.50000 1.0000 + Mn Mn793 1.0 0.78472 0.27083 0.50000 1.0000 + Mn Mn794 1.0 0.82639 0.31250 0.50000 1.0000 + Mn Mn795 1.0 0.86806 0.35417 0.50000 1.0000 + Mn Mn796 1.0 0.90972 0.39583 0.50000 1.0000 + Mn Mn797 1.0 0.95139 0.43750 0.50000 1.0000 + Mn Mn798 1.0 0.99306 0.47917 0.50000 1.0000 + Mn Mn799 1.0 0.03472 0.52083 0.50000 1.0000 + Mn Mn800 1.0 0.07639 0.56250 0.50000 1.0000 + Mn Mn801 1.0 0.11806 0.60417 0.50000 1.0000 + Mn Mn802 1.0 0.15972 0.64583 0.50000 1.0000 + Mn Mn803 1.0 0.20139 0.68750 0.50000 1.0000 + Mn Mn804 1.0 0.24306 0.72917 0.50000 1.0000 + Mn Mn805 1.0 0.82639 0.22917 0.50000 1.0000 + Mn Mn806 1.0 0.86806 0.27083 0.50000 1.0000 + Mn Mn807 1.0 0.90972 0.31250 0.50000 1.0000 + Mn Mn808 1.0 0.95139 0.35417 0.50000 1.0000 + Mn Mn809 1.0 0.99306 0.39583 0.50000 1.0000 + Mn Mn810 1.0 0.03472 0.43750 0.50000 1.0000 + Mn Mn811 1.0 0.07639 0.47917 0.50000 1.0000 + Mn Mn812 1.0 0.11806 0.52083 0.50000 1.0000 + Mn Mn813 1.0 0.15972 0.56250 0.50000 1.0000 + Mn Mn814 1.0 0.20139 0.60417 0.50000 1.0000 + Mn Mn815 1.0 0.24306 0.64583 0.50000 1.0000 + Mn Mn816 1.0 0.28472 0.68750 0.50000 1.0000 + Mn Mn817 1.0 0.86806 0.18750 0.50000 1.0000 + Mn Mn818 1.0 0.90972 0.22917 0.50000 1.0000 + Mn Mn819 1.0 0.95139 0.27083 0.50000 1.0000 + Mn Mn820 1.0 0.99306 0.31250 0.50000 1.0000 + Mn Mn821 1.0 0.03472 0.35417 0.50000 1.0000 + Mn Mn822 1.0 0.07639 0.39583 0.50000 1.0000 + Mn Mn823 1.0 0.11806 0.43750 0.50000 1.0000 + Mn Mn824 1.0 0.15972 0.47917 0.50000 1.0000 + Mn Mn825 1.0 0.20139 0.52083 0.50000 1.0000 + Mn Mn826 1.0 0.24306 0.56250 0.50000 1.0000 + Mn Mn827 1.0 0.28472 0.60417 0.50000 1.0000 + Mn Mn828 1.0 0.32639 0.64583 0.50000 1.0000 + Mn Mn829 1.0 0.90972 0.14583 0.50000 1.0000 + Mn Mn830 1.0 0.95139 0.18750 0.50000 1.0000 + Mn Mn831 1.0 0.99306 0.22917 0.50000 1.0000 + Mn Mn832 1.0 0.03472 0.27083 0.50000 1.0000 + Mn Mn833 1.0 0.07639 0.31250 0.50000 1.0000 + Mn Mn834 1.0 0.11806 0.35417 0.50000 1.0000 + Mn Mn835 1.0 0.15972 0.39583 0.50000 1.0000 + Mn Mn836 1.0 0.20139 0.43750 0.50000 1.0000 + Mn Mn837 1.0 0.24306 0.47917 0.50000 1.0000 + Mn Mn838 1.0 0.28472 0.52083 0.50000 1.0000 + Mn Mn839 1.0 0.32639 0.56250 0.50000 1.0000 + Mn Mn840 1.0 0.36806 0.60417 0.50000 1.0000 + Mn Mn841 1.0 0.95139 0.10417 0.50000 1.0000 + Mn Mn842 1.0 0.99306 0.14583 0.50000 1.0000 + Mn Mn843 1.0 0.03472 0.18750 0.50000 1.0000 + Mn Mn844 1.0 0.07639 0.22917 0.50000 1.0000 + Mn Mn845 1.0 0.11806 0.27083 0.50000 1.0000 + Mn Mn846 1.0 0.15972 0.31250 0.50000 1.0000 + Mn Mn847 1.0 0.20139 0.35417 0.50000 1.0000 + Mn Mn848 1.0 0.24306 0.39583 0.50000 1.0000 + Mn Mn849 1.0 0.28472 0.43750 0.50000 1.0000 + Mn Mn850 1.0 0.32639 0.47917 0.50000 1.0000 + Mn Mn851 1.0 0.36806 0.52083 0.50000 1.0000 + Mn Mn852 1.0 0.40972 0.56250 0.50000 1.0000 + Mn Mn853 1.0 0.99306 0.06250 0.50000 1.0000 + Mn Mn854 1.0 0.03472 0.10417 0.50000 1.0000 + Mn Mn855 1.0 0.07639 0.14583 0.50000 1.0000 + Mn Mn856 1.0 0.11806 0.18750 0.50000 1.0000 + Mn Mn857 1.0 0.15972 0.22917 0.50000 1.0000 + Mn Mn858 1.0 0.20139 0.27083 0.50000 1.0000 + Mn Mn859 1.0 0.24306 0.31250 0.50000 1.0000 + Mn Mn860 1.0 0.28472 0.35417 0.50000 1.0000 + Mn Mn861 1.0 0.32639 0.39583 0.50000 1.0000 + Mn Mn862 1.0 0.36806 0.43750 0.50000 1.0000 + Mn Mn863 1.0 0.40972 0.47917 0.50000 1.0000 + Mn Mn864 1.0 0.45139 0.52083 0.50000 1.0000 + Co Co145 1.0 0.55556 0.50000 0.50000 1.0000 + Co Co146 1.0 0.59722 0.54167 0.50000 1.0000 + Co Co147 1.0 0.63889 0.58333 0.50000 1.0000 + Co Co148 1.0 0.68056 0.62500 0.50000 1.0000 + Co Co149 1.0 0.72222 0.66667 0.50000 1.0000 + Co Co150 1.0 0.76389 0.70833 0.50000 1.0000 + Co Co151 1.0 0.80556 0.75000 0.50000 1.0000 + Co Co152 1.0 0.84722 0.79167 0.50000 1.0000 + Co Co153 1.0 0.88889 0.83333 0.50000 1.0000 + Co Co154 1.0 0.93056 0.87500 0.50000 1.0000 + Co Co155 1.0 0.97222 0.91667 0.50000 1.0000 + Co Co156 1.0 0.01389 0.95833 0.50000 1.0000 + Co Co157 1.0 0.59722 0.45833 0.50000 1.0000 + Co Co158 1.0 0.63889 0.50000 0.50000 1.0000 + Co Co159 1.0 0.68056 0.54167 0.50000 1.0000 + Co Co160 1.0 0.72222 0.58333 0.50000 1.0000 + Co Co161 1.0 0.76389 0.62500 0.50000 1.0000 + Co Co162 1.0 0.80556 0.66667 0.50000 1.0000 + Co Co163 1.0 0.84722 0.70833 0.50000 1.0000 + Co Co164 1.0 0.88889 0.75000 0.50000 1.0000 + Co Co165 1.0 0.93056 0.79167 0.50000 1.0000 + Co Co166 1.0 0.97222 0.83333 0.50000 1.0000 + Co Co167 1.0 0.01389 0.87500 0.50000 1.0000 + Co Co168 1.0 0.05556 0.91667 0.50000 1.0000 + Co Co169 1.0 0.63889 0.41667 0.50000 1.0000 + Co Co170 1.0 0.68056 0.45833 0.50000 1.0000 + Co Co171 1.0 0.72222 0.50000 0.50000 1.0000 + Co Co172 1.0 0.76389 0.54167 0.50000 1.0000 + Co Co173 1.0 0.80556 0.58333 0.50000 1.0000 + Co Co174 1.0 0.84722 0.62500 0.50000 1.0000 + Co Co175 1.0 0.88889 0.66667 0.50000 1.0000 + Co Co176 1.0 0.93056 0.70833 0.50000 1.0000 + Co Co177 1.0 0.97222 0.75000 0.50000 1.0000 + Co Co178 1.0 0.01389 0.79167 0.50000 1.0000 + Co Co179 1.0 0.05556 0.83333 0.50000 1.0000 + Co Co180 1.0 0.09722 0.87500 0.50000 1.0000 + Co Co181 1.0 0.68056 0.37500 0.50000 1.0000 + Co Co182 1.0 0.72222 0.41667 0.50000 1.0000 + Co Co183 1.0 0.76389 0.45833 0.50000 1.0000 + Co Co184 1.0 0.80556 0.50000 0.50000 1.0000 + Co Co185 1.0 0.84722 0.54167 0.50000 1.0000 + Co Co186 1.0 0.88889 0.58333 0.50000 1.0000 + Co Co187 1.0 0.93056 0.62500 0.50000 1.0000 + Co Co188 1.0 0.97222 0.66667 0.50000 1.0000 + Co Co189 1.0 0.01389 0.70833 0.50000 1.0000 + Co Co190 1.0 0.05556 0.75000 0.50000 1.0000 + Co Co191 1.0 0.09722 0.79167 0.50000 1.0000 + Co Co192 1.0 0.13889 0.83333 0.50000 1.0000 + Co Co193 1.0 0.72222 0.33333 0.50000 1.0000 + Co Co194 1.0 0.76389 0.37500 0.50000 1.0000 + Co Co195 1.0 0.80556 0.41667 0.50000 1.0000 + Co Co196 1.0 0.84722 0.45833 0.50000 1.0000 + Co Co197 1.0 0.88889 0.50000 0.50000 1.0000 + Co Co198 1.0 0.93056 0.54167 0.50000 1.0000 + Co Co199 1.0 0.97222 0.58333 0.50000 1.0000 + Co Co200 1.0 0.01389 0.62500 0.50000 1.0000 + Co Co201 1.0 0.05556 0.66667 0.50000 1.0000 + Co Co202 1.0 0.09722 0.70833 0.50000 1.0000 + Co Co203 1.0 0.13889 0.75000 0.50000 1.0000 + Co Co204 1.0 0.18056 0.79167 0.50000 1.0000 + Co Co205 1.0 0.76389 0.29167 0.50000 1.0000 + Co Co206 1.0 0.80556 0.33333 0.50000 1.0000 + Co Co207 1.0 0.84722 0.37500 0.50000 1.0000 + Co Co208 1.0 0.88889 0.41667 0.50000 1.0000 + Co Co209 1.0 0.93056 0.45833 0.50000 1.0000 + Co Co210 1.0 0.97222 0.50000 0.50000 1.0000 + Co Co211 1.0 0.01389 0.54167 0.50000 1.0000 + Co Co212 1.0 0.05556 0.58333 0.50000 1.0000 + Co Co213 1.0 0.09722 0.62500 0.50000 1.0000 + Co Co214 1.0 0.13889 0.66667 0.50000 1.0000 + Co Co215 1.0 0.18056 0.70833 0.50000 1.0000 + Co Co216 1.0 0.22222 0.75000 0.50000 1.0000 + Co Co217 1.0 0.80556 0.25000 0.50000 1.0000 + Co Co218 1.0 0.84722 0.29167 0.50000 1.0000 + Co Co219 1.0 0.88889 0.33333 0.50000 1.0000 + Co Co220 1.0 0.93056 0.37500 0.50000 1.0000 + Co Co221 1.0 0.97222 0.41667 0.50000 1.0000 + Co Co222 1.0 0.01389 0.45833 0.50000 1.0000 + Co Co223 1.0 0.05556 0.50000 0.50000 1.0000 + Co Co224 1.0 0.09722 0.54167 0.50000 1.0000 + Co Co225 1.0 0.13889 0.58333 0.50000 1.0000 + Co Co226 1.0 0.18056 0.62500 0.50000 1.0000 + Co Co227 1.0 0.22222 0.66667 0.50000 1.0000 + Co Co228 1.0 0.26389 0.70833 0.50000 1.0000 + Co Co229 1.0 0.84722 0.20833 0.50000 1.0000 + Co Co230 1.0 0.88889 0.25000 0.50000 1.0000 + Co Co231 1.0 0.93056 0.29167 0.50000 1.0000 + Co Co232 1.0 0.97222 0.33333 0.50000 1.0000 + Co Co233 1.0 0.01389 0.37500 0.50000 1.0000 + Co Co234 1.0 0.05556 0.41667 0.50000 1.0000 + Co Co235 1.0 0.09722 0.45833 0.50000 1.0000 + Co Co236 1.0 0.13889 0.50000 0.50000 1.0000 + Co Co237 1.0 0.18056 0.54167 0.50000 1.0000 + Co Co238 1.0 0.22222 0.58333 0.50000 1.0000 + Co Co239 1.0 0.26389 0.62500 0.50000 1.0000 + Co Co240 1.0 0.30556 0.66667 0.50000 1.0000 + Co Co241 1.0 0.88889 0.16667 0.50000 1.0000 + Co Co242 1.0 0.93056 0.20833 0.50000 1.0000 + Co Co243 1.0 0.97222 0.25000 0.50000 1.0000 + Co Co244 1.0 0.01389 0.29167 0.50000 1.0000 + Co Co245 1.0 0.05556 0.33333 0.50000 1.0000 + Co Co246 1.0 0.09722 0.37500 0.50000 1.0000 + Co Co247 1.0 0.13889 0.41667 0.50000 1.0000 + Co Co248 1.0 0.18056 0.45833 0.50000 1.0000 + Co Co249 1.0 0.22222 0.50000 0.50000 1.0000 + Co Co250 1.0 0.26389 0.54167 0.50000 1.0000 + Co Co251 1.0 0.30556 0.58333 0.50000 1.0000 + Co Co252 1.0 0.34722 0.62500 0.50000 1.0000 + Co Co253 1.0 0.93056 0.12500 0.50000 1.0000 + Co Co254 1.0 0.97222 0.16667 0.50000 1.0000 + Co Co255 1.0 0.01389 0.20833 0.50000 1.0000 + Co Co256 1.0 0.05556 0.25000 0.50000 1.0000 + Co Co257 1.0 0.09722 0.29167 0.50000 1.0000 + Co Co258 1.0 0.13889 0.33333 0.50000 1.0000 + Co Co259 1.0 0.18056 0.37500 0.50000 1.0000 + Co Co260 1.0 0.22222 0.41667 0.50000 1.0000 + Co Co261 1.0 0.26389 0.45833 0.50000 1.0000 + Co Co262 1.0 0.30556 0.50000 0.50000 1.0000 + Co Co263 1.0 0.34722 0.54167 0.50000 1.0000 + Co Co264 1.0 0.38889 0.58333 0.50000 1.0000 + Co Co265 1.0 0.97222 0.08333 0.50000 1.0000 + Co Co266 1.0 0.01389 0.12500 0.50000 1.0000 + Co Co267 1.0 0.05556 0.16667 0.50000 1.0000 + Co Co268 1.0 0.09722 0.20833 0.50000 1.0000 + Co Co269 1.0 0.13889 0.25000 0.50000 1.0000 + Co Co270 1.0 0.18056 0.29167 0.50000 1.0000 + Co Co271 1.0 0.22222 0.33333 0.50000 1.0000 + Co Co272 1.0 0.26389 0.37500 0.50000 1.0000 + Co Co273 1.0 0.30556 0.41667 0.50000 1.0000 + Co Co274 1.0 0.34722 0.45833 0.50000 1.0000 + Co Co275 1.0 0.38889 0.50000 0.50000 1.0000 + Co Co276 1.0 0.43056 0.54167 0.50000 1.0000 + Co Co277 1.0 0.01389 0.04167 0.50000 1.0000 + Co Co278 1.0 0.05556 0.08333 0.50000 1.0000 + Co Co279 1.0 0.09722 0.12500 0.50000 1.0000 + Co Co280 1.0 0.13889 0.16667 0.50000 1.0000 + Co Co281 1.0 0.18056 0.20833 0.50000 1.0000 + Co Co282 1.0 0.22222 0.25000 0.50000 1.0000 + Co Co283 1.0 0.26389 0.29167 0.50000 1.0000 + Co Co284 1.0 0.30556 0.33333 0.50000 1.0000 + Co Co285 1.0 0.34722 0.37500 0.50000 1.0000 + Co Co286 1.0 0.38889 0.41667 0.50000 1.0000 + Co Co287 1.0 0.43056 0.45833 0.50000 1.0000 + Co Co288 1.0 0.47222 0.50000 0.50000 1.0000 + O O1153 1.0 0.54853 0.52108 0.33817 1.0000 + O O1154 1.0 0.59020 0.56275 0.33817 1.0000 + O O1155 1.0 0.63186 0.60441 0.33817 1.0000 + O O1156 1.0 0.67353 0.64608 0.33817 1.0000 + O O1157 1.0 0.71520 0.68775 0.33817 1.0000 + O O1158 1.0 0.75686 0.72941 0.33817 1.0000 + O O1159 1.0 0.79853 0.77108 0.33817 1.0000 + O O1160 1.0 0.84020 0.81275 0.33817 1.0000 + O O1161 1.0 0.88186 0.85441 0.33817 1.0000 + O O1162 1.0 0.92353 0.89608 0.33817 1.0000 + O O1163 1.0 0.96520 0.93775 0.33817 1.0000 + O O1164 1.0 0.00686 0.97941 0.33817 1.0000 + O O1165 1.0 0.59020 0.47941 0.33817 1.0000 + O O1166 1.0 0.63186 0.52108 0.33817 1.0000 + O O1167 1.0 0.67353 0.56275 0.33817 1.0000 + O O1168 1.0 0.71520 0.60441 0.33817 1.0000 + O O1169 1.0 0.75686 0.64608 0.33817 1.0000 + O O1170 1.0 0.79853 0.68775 0.33817 1.0000 + O O1171 1.0 0.84020 0.72941 0.33817 1.0000 + O O1172 1.0 0.88186 0.77108 0.33817 1.0000 + O O1173 1.0 0.92353 0.81275 0.33817 1.0000 + O O1174 1.0 0.96520 0.85441 0.33817 1.0000 + O O1175 1.0 0.00686 0.89608 0.33817 1.0000 + O O1176 1.0 0.04853 0.93775 0.33817 1.0000 + O O1177 1.0 0.63186 0.43775 0.33817 1.0000 + O O1178 1.0 0.67353 0.47941 0.33817 1.0000 + O O1179 1.0 0.71520 0.52108 0.33817 1.0000 + O O1180 1.0 0.75686 0.56275 0.33817 1.0000 + O O1181 1.0 0.79853 0.60441 0.33817 1.0000 + O O1182 1.0 0.84020 0.64608 0.33817 1.0000 + O O1183 1.0 0.88186 0.68775 0.33817 1.0000 + O O1184 1.0 0.92353 0.72941 0.33817 1.0000 + O O1185 1.0 0.96520 0.77108 0.33817 1.0000 + O O1186 1.0 0.00686 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