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Si Si251 1.0 0.15625 0.78125 0.59280 1.0000 + Si Si252 1.0 0.12500 0.81250 0.59280 1.0000 + Si Si253 1.0 0.09375 0.84375 0.59280 1.0000 + Si Si254 1.0 0.06250 0.87500 0.59280 1.0000 + Si Si255 1.0 0.03125 0.90625 0.59280 1.0000 + Si Si256 1.0 0.00000 0.93750 0.59280 1.0000 + Te Te1 1.0 0.02012 0.03890 0.60251 1.0000 + Te Te2 1.0 0.98887 0.07015 0.60251 1.0000 + Te Te3 1.0 0.95762 0.10140 0.60251 1.0000 + Te Te4 1.0 0.92637 0.13265 0.60251 1.0000 + Te Te5 1.0 0.89512 0.16390 0.60251 1.0000 + Te Te6 1.0 0.86387 0.19515 0.60251 1.0000 + Te Te7 1.0 0.83262 0.22640 0.60251 1.0000 + Te Te8 1.0 0.80137 0.25765 0.60251 1.0000 + Te Te9 1.0 0.77012 0.28890 0.60251 1.0000 + Te Te10 1.0 0.73887 0.32015 0.60251 1.0000 + Te Te11 1.0 0.70762 0.35140 0.60251 1.0000 + Te Te12 1.0 0.67637 0.38265 0.60251 1.0000 + Te Te13 1.0 0.64512 0.41390 0.60251 1.0000 + Te Te14 1.0 0.61387 0.44515 0.60251 1.0000 + Te Te15 1.0 0.58262 0.47640 0.60251 1.0000 + Te Te16 1.0 0.55137 0.50765 0.60251 1.0000 + Te Te17 1.0 0.05137 0.07015 0.60251 1.0000 + Te Te18 1.0 0.02012 0.10140 0.60251 1.0000 + Te Te19 1.0 0.98887 0.13265 0.60251 1.0000 + Te Te20 1.0 0.95762 0.16390 0.60251 1.0000 + Te Te21 1.0 0.92637 0.19515 0.60251 1.0000 + Te Te22 1.0 0.89512 0.22640 0.60251 1.0000 + Te Te23 1.0 0.86387 0.25765 0.60251 1.0000 + Te Te24 1.0 0.83262 0.28890 0.60251 1.0000 + Te Te25 1.0 0.80137 0.32015 0.60251 1.0000 + Te Te26 1.0 0.77012 0.35140 0.60251 1.0000 + Te Te27 1.0 0.73887 0.38265 0.60251 1.0000 + Te Te28 1.0 0.70762 0.41390 0.60251 1.0000 + Te Te29 1.0 0.67637 0.44515 0.60251 1.0000 + Te Te30 1.0 0.64512 0.47640 0.60251 1.0000 + Te Te31 1.0 0.61387 0.50765 0.60251 1.0000 + Te Te32 1.0 0.58262 0.53890 0.60251 1.0000 + Te Te33 1.0 0.08262 0.10140 0.60251 1.0000 + Te Te34 1.0 0.05137 0.13265 0.60251 1.0000 + Te Te35 1.0 0.02012 0.16390 0.60251 1.0000 + Te Te36 1.0 0.98887 0.19515 0.60251 1.0000 + Te Te37 1.0 0.95762 0.22640 0.60251 1.0000 + Te Te38 1.0 0.92637 0.25765 0.60251 1.0000 + Te Te39 1.0 0.89512 0.28890 0.60251 1.0000 + Te Te40 1.0 0.86387 0.32015 0.60251 1.0000 + Te Te41 1.0 0.83262 0.35140 0.60251 1.0000 + Te Te42 1.0 0.80137 0.38265 0.60251 1.0000 + Te Te43 1.0 0.77012 0.41390 0.60251 1.0000 + Te Te44 1.0 0.73887 0.44515 0.60251 1.0000 + Te Te45 1.0 0.70762 0.47640 0.60251 1.0000 + Te Te46 1.0 0.67637 0.50765 0.60251 1.0000 + Te Te47 1.0 0.64512 0.53890 0.60251 1.0000 + Te Te48 1.0 0.61387 0.57015 0.60251 1.0000 + Te Te49 1.0 0.11387 0.13265 0.60251 1.0000 + Te Te50 1.0 0.08262 0.16390 0.60251 1.0000 + Te Te51 1.0 0.05137 0.19515 0.60251 1.0000 + Te Te52 1.0 0.02012 0.22640 0.60251 1.0000 + Te Te53 1.0 0.98887 0.25765 0.60251 1.0000 + Te Te54 1.0 0.95762 0.28890 0.60251 1.0000 + Te Te55 1.0 0.92637 0.32015 0.60251 1.0000 + Te Te56 1.0 0.89512 0.35140 0.60251 1.0000 + Te Te57 1.0 0.86387 0.38265 0.60251 1.0000 + Te Te58 1.0 0.83262 0.41390 0.60251 1.0000 + Te Te59 1.0 0.80137 0.44515 0.60251 1.0000 + Te Te60 1.0 0.77012 0.47640 0.60251 1.0000 + Te Te61 1.0 0.73887 0.50765 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Te Te626 1.0 0.18924 0.29199 0.60251 1.0000 + Te Te627 1.0 0.15799 0.32324 0.60251 1.0000 + Te Te628 1.0 0.12674 0.35449 0.60251 1.0000 + Te Te629 1.0 0.09549 0.38574 0.60251 1.0000 + Te Te630 1.0 0.06424 0.41699 0.60251 1.0000 + Te Te631 1.0 0.03299 0.44824 0.60251 1.0000 + Te Te632 1.0 0.00174 0.47949 0.60251 1.0000 + Te Te633 1.0 0.97049 0.51074 0.60251 1.0000 + Te Te634 1.0 0.93924 0.54199 0.60251 1.0000 + Te Te635 1.0 0.90799 0.57324 0.60251 1.0000 + Te Te636 1.0 0.87674 0.60449 0.60251 1.0000 + Te Te637 1.0 0.84549 0.63574 0.60251 1.0000 + Te Te638 1.0 0.81424 0.66699 0.60251 1.0000 + Te Te639 1.0 0.78299 0.69824 0.60251 1.0000 + Te Te640 1.0 0.75174 0.72949 0.60251 1.0000 + Te Te641 1.0 0.25174 0.29199 0.60251 1.0000 + Te Te642 1.0 0.22049 0.32324 0.60251 1.0000 + Te Te643 1.0 0.18924 0.35449 0.60251 1.0000 + Te Te644 1.0 0.15799 0.38574 0.60251 1.0000 + Te Te645 1.0 0.12674 0.41699 0.60251 1.0000 + Te Te646 1.0 0.09549 0.44824 0.60251 1.0000 + Te Te647 1.0 0.06424 0.47949 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Te Te691 1.0 0.28299 0.44824 0.60251 1.0000 + Te Te692 1.0 0.25174 0.47949 0.60251 1.0000 + Te Te693 1.0 0.22049 0.51074 0.60251 1.0000 + Te Te694 1.0 0.18924 0.54199 0.60251 1.0000 + Te Te695 1.0 0.15799 0.57324 0.60251 1.0000 + Te Te696 1.0 0.12674 0.60449 0.60251 1.0000 + Te Te697 1.0 0.09549 0.63574 0.60251 1.0000 + Te Te698 1.0 0.06424 0.66699 0.60251 1.0000 + Te Te699 1.0 0.03299 0.69824 0.60251 1.0000 + Te Te700 1.0 0.00174 0.72949 0.60251 1.0000 + Te Te701 1.0 0.97049 0.76074 0.60251 1.0000 + Te Te702 1.0 0.93924 0.79199 0.60251 1.0000 + Te Te703 1.0 0.90799 0.82324 0.60251 1.0000 + Te Te704 1.0 0.87674 0.85449 0.60251 1.0000 + Te Te705 1.0 0.37674 0.41699 0.60251 1.0000 + Te Te706 1.0 0.34549 0.44824 0.60251 1.0000 + Te Te707 1.0 0.31424 0.47949 0.60251 1.0000 + Te Te708 1.0 0.28299 0.51074 0.60251 1.0000 + Te Te709 1.0 0.25174 0.54199 0.60251 1.0000 + Te Te710 1.0 0.22049 0.57324 0.60251 1.0000 + Te Te711 1.0 0.18924 0.60449 0.60251 1.0000 + Te Te712 1.0 0.15799 0.63574 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Te Te829 1.0 0.23887 0.00765 0.60251 1.0000 + Te Te830 1.0 0.20762 0.03890 0.60251 1.0000 + Te Te831 1.0 0.17637 0.07015 0.60251 1.0000 + Te Te832 1.0 0.14512 0.10140 0.60251 1.0000 + Te Te833 1.0 0.64512 0.66390 0.60251 1.0000 + Te Te834 1.0 0.61387 0.69515 0.60251 1.0000 + Te Te835 1.0 0.58262 0.72640 0.60251 1.0000 + Te Te836 1.0 0.55137 0.75765 0.60251 1.0000 + Te Te837 1.0 0.52012 0.78890 0.60251 1.0000 + Te Te838 1.0 0.48887 0.82015 0.60251 1.0000 + Te Te839 1.0 0.45762 0.85140 0.60251 1.0000 + Te Te840 1.0 0.42637 0.88265 0.60251 1.0000 + Te Te841 1.0 0.39512 0.91390 0.60251 1.0000 + Te Te842 1.0 0.36387 0.94515 0.60251 1.0000 + Te Te843 1.0 0.33262 0.97640 0.60251 1.0000 + Te Te844 1.0 0.30137 0.00765 0.60251 1.0000 + Te Te845 1.0 0.27012 0.03890 0.60251 1.0000 + Te Te846 1.0 0.23887 0.07015 0.60251 1.0000 + Te Te847 1.0 0.20762 0.10140 0.60251 1.0000 + Te Te848 1.0 0.17637 0.13265 0.60251 1.0000 + Te Te849 1.0 0.67637 0.69515 0.60251 1.0000 + Te Te850 1.0 0.64512 0.72640 0.60251 1.0000 + Te Te851 1.0 0.61387 0.75765 0.60251 1.0000 + Te Te852 1.0 0.58262 0.78890 0.60251 1.0000 + Te Te853 1.0 0.55137 0.82015 0.60251 1.0000 + Te Te854 1.0 0.52012 0.85140 0.60251 1.0000 + Te Te855 1.0 0.48887 0.88265 0.60251 1.0000 + Te Te856 1.0 0.45762 0.91390 0.60251 1.0000 + Te Te857 1.0 0.42637 0.94515 0.60251 1.0000 + Te Te858 1.0 0.39512 0.97640 0.60251 1.0000 + Te Te859 1.0 0.36387 0.00765 0.60251 1.0000 + Te Te860 1.0 0.33262 0.03890 0.60251 1.0000 + Te Te861 1.0 0.30137 0.07015 0.60251 1.0000 + Te Te862 1.0 0.27012 0.10140 0.60251 1.0000 + Te Te863 1.0 0.23887 0.13265 0.60251 1.0000 + Te Te864 1.0 0.20762 0.16390 0.60251 1.0000 + Te Te865 1.0 0.70762 0.72640 0.60251 1.0000 + Te Te866 1.0 0.67637 0.75765 0.60251 1.0000 + Te Te867 1.0 0.64512 0.78890 0.60251 1.0000 + Te Te868 1.0 0.61387 0.82015 0.60251 1.0000 + Te Te869 1.0 0.58262 0.85140 0.60251 1.0000 + Te Te870 1.0 0.55137 0.88265 0.60251 1.0000 + Te Te871 1.0 0.52012 0.91390 0.60251 1.0000 + Te Te872 1.0 0.48887 0.94515 0.60251 1.0000 + Te Te873 1.0 0.45762 0.97640 0.60251 1.0000 + Te Te874 1.0 0.42637 0.00765 0.60251 1.0000 + Te Te875 1.0 0.39512 0.03890 0.60251 1.0000 + Te Te876 1.0 0.36387 0.07015 0.60251 1.0000 + Te Te877 1.0 0.33262 0.10140 0.60251 1.0000 + Te Te878 1.0 0.30137 0.13265 0.60251 1.0000 + Te Te879 1.0 0.27012 0.16390 0.60251 1.0000 + Te Te880 1.0 0.23887 0.19515 0.60251 1.0000 + Te Te881 1.0 0.73887 0.75765 0.60251 1.0000 + Te Te882 1.0 0.70762 0.78890 0.60251 1.0000 + Te Te883 1.0 0.67637 0.82015 0.60251 1.0000 + Te Te884 1.0 0.64512 0.85140 0.60251 1.0000 + Te Te885 1.0 0.61387 0.88265 0.60251 1.0000 + Te Te886 1.0 0.58262 0.91390 0.60251 1.0000 + Te Te887 1.0 0.55137 0.94515 0.60251 1.0000 + Te Te888 1.0 0.52012 0.97640 0.60251 1.0000 + Te Te889 1.0 0.48887 0.00765 0.60251 1.0000 + Te Te890 1.0 0.45762 0.03890 0.60251 1.0000 + Te Te891 1.0 0.42637 0.07015 0.60251 1.0000 + Te Te892 1.0 0.39512 0.10140 0.60251 1.0000 + Te Te893 1.0 0.36387 0.13265 0.60251 1.0000 + Te Te894 1.0 0.33262 0.16390 0.60251 1.0000 + Te Te895 1.0 0.30137 0.19515 0.60251 1.0000 + Te Te896 1.0 0.27012 0.22640 0.60251 1.0000 + Te Te897 1.0 0.77012 0.78890 0.60251 1.0000 + Te Te898 1.0 0.73887 0.82015 0.60251 1.0000 + Te Te899 1.0 0.70762 0.85140 0.60251 1.0000 + Te Te900 1.0 0.67637 0.88265 0.60251 1.0000 + Te Te901 1.0 0.64512 0.91390 0.60251 1.0000 + Te Te902 1.0 0.61387 0.94515 0.60251 1.0000 + Te Te903 1.0 0.58262 0.97640 0.60251 1.0000 + Te Te904 1.0 0.55137 0.00765 0.60251 1.0000 + Te Te905 1.0 0.52012 0.03890 0.60251 1.0000 + Te Te906 1.0 0.48887 0.07015 0.60251 1.0000 + Te Te907 1.0 0.45762 0.10140 0.60251 1.0000 + Te Te908 1.0 0.42637 0.13265 0.60251 1.0000 + Te Te909 1.0 0.39512 0.16390 0.60251 1.0000 + Te Te910 1.0 0.36387 0.19515 0.60251 1.0000 + Te Te911 1.0 0.33262 0.22640 0.60251 1.0000 + Te Te912 1.0 0.30137 0.25765 0.60251 1.0000 + Te Te913 1.0 0.80137 0.82015 0.60251 1.0000 + Te Te914 1.0 0.77012 0.85140 0.60251 1.0000 + Te Te915 1.0 0.73887 0.88265 0.60251 1.0000 + Te Te916 1.0 0.70762 0.91390 0.60251 1.0000 + Te Te917 1.0 0.67637 0.94515 0.60251 1.0000 + Te Te918 1.0 0.64512 0.97640 0.60251 1.0000 + Te Te919 1.0 0.61387 0.00765 0.60251 1.0000 + Te Te920 1.0 0.58262 0.03890 0.60251 1.0000 + Te Te921 1.0 0.55137 0.07015 0.60251 1.0000 + Te Te922 1.0 0.52012 0.10140 0.60251 1.0000 + Te Te923 1.0 0.48887 0.13265 0.60251 1.0000 + Te Te924 1.0 0.45762 0.16390 0.60251 1.0000 + Te Te925 1.0 0.42637 0.19515 0.60251 1.0000 + Te Te926 1.0 0.39512 0.22640 0.60251 1.0000 + Te Te927 1.0 0.36387 0.25765 0.60251 1.0000 + Te Te928 1.0 0.33262 0.28890 0.60251 1.0000 + Te Te929 1.0 0.83262 0.85140 0.60251 1.0000 + Te Te930 1.0 0.80137 0.88265 0.60251 1.0000 + Te Te931 1.0 0.77012 0.91390 0.60251 1.0000 + Te Te932 1.0 0.73887 0.94515 0.60251 1.0000 + Te Te933 1.0 0.70762 0.97640 0.60251 1.0000 + Te Te934 1.0 0.67637 0.00765 0.60251 1.0000 + Te Te935 1.0 0.64512 0.03890 0.60251 1.0000 + Te Te936 1.0 0.61387 0.07015 0.60251 1.0000 + Te Te937 1.0 0.58262 0.10140 0.60251 1.0000 + Te Te938 1.0 0.55137 0.13265 0.60251 1.0000 + Te Te939 1.0 0.52012 0.16390 0.60251 1.0000 + Te Te940 1.0 0.48887 0.19515 0.60251 1.0000 + Te Te941 1.0 0.45762 0.22640 0.60251 1.0000 + Te Te942 1.0 0.42637 0.25765 0.60251 1.0000 + Te Te943 1.0 0.39512 0.28890 0.60251 1.0000 + Te Te944 1.0 0.36387 0.32015 0.60251 1.0000 + Te Te945 1.0 0.86387 0.88265 0.60251 1.0000 + Te Te946 1.0 0.83262 0.91390 0.60251 1.0000 + Te Te947 1.0 0.80137 0.94515 0.60251 1.0000 + Te Te948 1.0 0.77012 0.97640 0.60251 1.0000 + Te Te949 1.0 0.73887 0.00765 0.60251 1.0000 + Te Te950 1.0 0.70762 0.03890 0.60251 1.0000 + Te Te951 1.0 0.67637 0.07015 0.60251 1.0000 + Te Te952 1.0 0.64512 0.10140 0.60251 1.0000 + Te Te953 1.0 0.61387 0.13265 0.60251 1.0000 + Te Te954 1.0 0.58262 0.16390 0.60251 1.0000 + Te Te955 1.0 0.55137 0.19515 0.60251 1.0000 + Te Te956 1.0 0.52012 0.22640 0.60251 1.0000 + Te Te957 1.0 0.48887 0.25765 0.60251 1.0000 + Te Te958 1.0 0.45762 0.28890 0.60251 1.0000 + Te Te959 1.0 0.42637 0.32015 0.60251 1.0000 + Te Te960 1.0 0.39512 0.35140 0.60251 1.0000 + Te Te961 1.0 0.89512 0.91390 0.60251 1.0000 + Te Te962 1.0 0.86387 0.94515 0.60251 1.0000 + Te Te963 1.0 0.83262 0.97640 0.60251 1.0000 + Te Te964 1.0 0.80137 0.00765 0.60251 1.0000 + Te Te965 1.0 0.77012 0.03890 0.60251 1.0000 + Te Te966 1.0 0.73887 0.07015 0.60251 1.0000 + Te Te967 1.0 0.70762 0.10140 0.60251 1.0000 + Te Te968 1.0 0.67637 0.13265 0.60251 1.0000 + Te Te969 1.0 0.64512 0.16390 0.60251 1.0000 + Te Te970 1.0 0.61387 0.19515 0.60251 1.0000 + Te Te971 1.0 0.58262 0.22640 0.60251 1.0000 + Te Te972 1.0 0.55137 0.25765 0.60251 1.0000 + Te Te973 1.0 0.52012 0.28890 0.60251 1.0000 + Te Te974 1.0 0.48887 0.32015 0.60251 1.0000 + Te Te975 1.0 0.45762 0.35140 0.60251 1.0000 + Te Te976 1.0 0.42637 0.38265 0.60251 1.0000 + Te Te977 1.0 0.92637 0.94515 0.60251 1.0000 + Te Te978 1.0 0.89512 0.97640 0.60251 1.0000 + Te Te979 1.0 0.86387 0.00765 0.60251 1.0000 + Te Te980 1.0 0.83262 0.03890 0.60251 1.0000 + Te Te981 1.0 0.80137 0.07015 0.60251 1.0000 + Te Te982 1.0 0.77012 0.10140 0.60251 1.0000 + Te Te983 1.0 0.73887 0.13265 0.60251 1.0000 + Te Te984 1.0 0.70762 0.16390 0.60251 1.0000 + Te Te985 1.0 0.67637 0.19515 0.60251 1.0000 + Te Te986 1.0 0.64512 0.22640 0.60251 1.0000 + Te Te987 1.0 0.61387 0.25765 0.60251 1.0000 + Te Te988 1.0 0.58262 0.28890 0.60251 1.0000 + Te Te989 1.0 0.55137 0.32015 0.60251 1.0000 + Te Te990 1.0 0.52012 0.35140 0.60251 1.0000 + Te Te991 1.0 0.48887 0.38265 0.60251 1.0000 + Te Te992 1.0 0.45762 0.41390 0.60251 1.0000 + Te Te993 1.0 0.95762 0.97640 0.60251 1.0000 + Te Te994 1.0 0.92637 0.00765 0.60251 1.0000 + Te Te995 1.0 0.89512 0.03890 0.60251 1.0000 + Te Te996 1.0 0.86387 0.07015 0.60251 1.0000 + Te Te997 1.0 0.83262 0.10140 0.60251 1.0000 + Te Te998 1.0 0.80137 0.13265 0.60251 1.0000 + Te Te999 1.0 0.77012 0.16390 0.60251 1.0000 + Te Te1000 1.0 0.73887 0.19515 0.60251 1.0000 + Te Te1001 1.0 0.70762 0.22640 0.60251 1.0000 + Te Te1002 1.0 0.67637 0.25765 0.60251 1.0000 + Te Te1003 1.0 0.64512 0.28890 0.60251 1.0000 + Te Te1004 1.0 0.61387 0.32015 0.60251 1.0000 + Te Te1005 1.0 0.58262 0.35140 0.60251 1.0000 + Te Te1006 1.0 0.55137 0.38265 0.60251 1.0000 + Te Te1007 1.0 0.52012 0.41390 0.60251 1.0000 + Te Te1008 1.0 0.48887 0.44515 0.60251 1.0000 + Te Te1009 1.0 0.98887 0.00765 0.60251 1.0000 + Te Te1010 1.0 0.95762 0.03890 0.60251 1.0000 + Te Te1011 1.0 0.92637 0.07015 0.60251 1.0000 + Te Te1012 1.0 0.89512 0.10140 0.60251 1.0000 + Te Te1013 1.0 0.86387 0.13265 0.60251 1.0000 + Te Te1014 1.0 0.83262 0.16390 0.60251 1.0000 + Te Te1015 1.0 0.80137 0.19515 0.60251 1.0000 + Te Te1016 1.0 0.77012 0.22640 0.60251 1.0000 + Te Te1017 1.0 0.73887 0.25765 0.60251 1.0000 + Te Te1018 1.0 0.70762 0.28890 0.60251 1.0000 + Te Te1019 1.0 0.67637 0.32015 0.60251 1.0000 + Te Te1020 1.0 0.64512 0.35140 0.60251 1.0000 + Te Te1021 1.0 0.61387 0.38265 0.60251 1.0000 + Te Te1022 1.0 0.58262 0.41390 0.60251 1.0000 + Te Te1023 1.0 0.55137 0.44515 0.60251 1.0000 + Te Te1024 1.0 0.52012 0.47640 0.60251 1.0000 + Te Te1025 1.0 0.50939 0.51287 0.60251 1.0000 + Te Te1026 1.0 0.47814 0.54412 0.60251 1.0000 + Te Te1027 1.0 0.44689 0.57537 0.60251 1.0000 + Te Te1028 1.0 0.41564 0.60662 0.60251 1.0000 + Te Te1029 1.0 0.38439 0.63787 0.60251 1.0000 + Te Te1030 1.0 0.35314 0.66912 0.60251 1.0000 + Te Te1031 1.0 0.32189 0.70037 0.60251 1.0000 + Te Te1032 1.0 0.29064 0.73162 0.60251 1.0000 + Te Te1033 1.0 0.25939 0.76287 0.60251 1.0000 + Te Te1034 1.0 0.22814 0.79412 0.60251 1.0000 + Te Te1035 1.0 0.19689 0.82537 0.60251 1.0000 + Te Te1036 1.0 0.16564 0.85662 0.60251 1.0000 + Te Te1037 1.0 0.13439 0.88787 0.60251 1.0000 + Te Te1038 1.0 0.10314 0.91912 0.60251 1.0000 + Te Te1039 1.0 0.07189 0.95037 0.60251 1.0000 + Te Te1040 1.0 0.04064 0.98162 0.60251 1.0000 + Te Te1041 1.0 0.54064 0.54412 0.60251 1.0000 + Te Te1042 1.0 0.50939 0.57537 0.60251 1.0000 + Te Te1043 1.0 0.47814 0.60662 0.60251 1.0000 + Te Te1044 1.0 0.44689 0.63787 0.60251 1.0000 + Te Te1045 1.0 0.41564 0.66912 0.60251 1.0000 + Te Te1046 1.0 0.38439 0.70037 0.60251 1.0000 + Te Te1047 1.0 0.35314 0.73162 0.60251 1.0000 + Te Te1048 1.0 0.32189 0.76287 0.60251 1.0000 + Te Te1049 1.0 0.29064 0.79412 0.60251 1.0000 + Te Te1050 1.0 0.25939 0.82537 0.60251 1.0000 + Te Te1051 1.0 0.22814 0.85662 0.60251 1.0000 + Te Te1052 1.0 0.19689 0.88787 0.60251 1.0000 + Te Te1053 1.0 0.16564 0.91912 0.60251 1.0000 + Te Te1054 1.0 0.13439 0.95037 0.60251 1.0000 + Te Te1055 1.0 0.10314 0.98162 0.60251 1.0000 + Te Te1056 1.0 0.07189 0.01287 0.60251 1.0000 + Te Te1057 1.0 0.57189 0.57537 0.60251 1.0000 + Te Te1058 1.0 0.54064 0.60662 0.60251 1.0000 + Te Te1059 1.0 0.50939 0.63787 0.60251 1.0000 + Te Te1060 1.0 0.47814 0.66912 0.60251 1.0000 + Te Te1061 1.0 0.44689 0.70037 0.60251 1.0000 + Te Te1062 1.0 0.41564 0.73162 0.60251 1.0000 + Te Te1063 1.0 0.38439 0.76287 0.60251 1.0000 + Te Te1064 1.0 0.35314 0.79412 0.60251 1.0000 + Te Te1065 1.0 0.32189 0.82537 0.60251 1.0000 + Te Te1066 1.0 0.29064 0.85662 0.60251 1.0000 + Te Te1067 1.0 0.25939 0.88787 0.60251 1.0000 + Te Te1068 1.0 0.22814 0.91912 0.60251 1.0000 + Te Te1069 1.0 0.19689 0.95037 0.60251 1.0000 + Te Te1070 1.0 0.16564 0.98162 0.60251 1.0000 + Te Te1071 1.0 0.13439 0.01287 0.60251 1.0000 + Te Te1072 1.0 0.10314 0.04412 0.60251 1.0000 + Te Te1073 1.0 0.60314 0.60662 0.60251 1.0000 + Te Te1074 1.0 0.57189 0.63787 0.60251 1.0000 + Te Te1075 1.0 0.54064 0.66912 0.60251 1.0000 + Te Te1076 1.0 0.50939 0.70037 0.60251 1.0000 + Te Te1077 1.0 0.47814 0.73162 0.60251 1.0000 + Te Te1078 1.0 0.44689 0.76287 0.60251 1.0000 + Te Te1079 1.0 0.41564 0.79412 0.60251 1.0000 + Te Te1080 1.0 0.38439 0.82537 0.60251 1.0000 + Te Te1081 1.0 0.35314 0.85662 0.60251 1.0000 + Te Te1082 1.0 0.32189 0.88787 0.60251 1.0000 + Te Te1083 1.0 0.29064 0.91912 0.60251 1.0000 + Te Te1084 1.0 0.25939 0.95037 0.60251 1.0000 + Te Te1085 1.0 0.22814 0.98162 0.60251 1.0000 + Te Te1086 1.0 0.19689 0.01287 0.60251 1.0000 + Te Te1087 1.0 0.16564 0.04412 0.60251 1.0000 + Te Te1088 1.0 0.13439 0.07537 0.60251 1.0000 + Te Te1089 1.0 0.63439 0.63787 0.60251 1.0000 + Te Te1090 1.0 0.60314 0.66912 0.60251 1.0000 + Te Te1091 1.0 0.57189 0.70037 0.60251 1.0000 + Te Te1092 1.0 0.54064 0.73162 0.60251 1.0000 + Te Te1093 1.0 0.50939 0.76287 0.60251 1.0000 + Te Te1094 1.0 0.47814 0.79412 0.60251 1.0000 + Te Te1095 1.0 0.44689 0.82537 0.60251 1.0000 + Te Te1096 1.0 0.41564 0.85662 0.60251 1.0000 + Te Te1097 1.0 0.38439 0.88787 0.60251 1.0000 + Te Te1098 1.0 0.35314 0.91912 0.60251 1.0000 + Te Te1099 1.0 0.32189 0.95037 0.60251 1.0000 + Te Te1100 1.0 0.29064 0.98162 0.60251 1.0000 + Te Te1101 1.0 0.25939 0.01287 0.60251 1.0000 + Te Te1102 1.0 0.22814 0.04412 0.60251 1.0000 + Te Te1103 1.0 0.19689 0.07537 0.60251 1.0000 + Te Te1104 1.0 0.16564 0.10662 0.60251 1.0000 + Te Te1105 1.0 0.66564 0.66912 0.60251 1.0000 + Te Te1106 1.0 0.63439 0.70037 0.60251 1.0000 + Te Te1107 1.0 0.60314 0.73162 0.60251 1.0000 + Te Te1108 1.0 0.57189 0.76287 0.60251 1.0000 + Te Te1109 1.0 0.54064 0.79412 0.60251 1.0000 + Te Te1110 1.0 0.50939 0.82537 0.60251 1.0000 + Te Te1111 1.0 0.47814 0.85662 0.60251 1.0000 + Te Te1112 1.0 0.44689 0.88787 0.60251 1.0000 + Te Te1113 1.0 0.41564 0.91912 0.60251 1.0000 + Te Te1114 1.0 0.38439 0.95037 0.60251 1.0000 + Te Te1115 1.0 0.35314 0.98162 0.60251 1.0000 + Te Te1116 1.0 0.32189 0.01287 0.60251 1.0000 + Te Te1117 1.0 0.29064 0.04412 0.60251 1.0000 + Te Te1118 1.0 0.25939 0.07537 0.60251 1.0000 + Te Te1119 1.0 0.22814 0.10662 0.60251 1.0000 + Te Te1120 1.0 0.19689 0.13787 0.60251 1.0000 + Te Te1121 1.0 0.69689 0.70037 0.60251 1.0000 + Te Te1122 1.0 0.66564 0.73162 0.60251 1.0000 + Te Te1123 1.0 0.63439 0.76287 0.60251 1.0000 + Te Te1124 1.0 0.60314 0.79412 0.60251 1.0000 + Te Te1125 1.0 0.57189 0.82537 0.60251 1.0000 + Te Te1126 1.0 0.54064 0.85662 0.60251 1.0000 + Te Te1127 1.0 0.50939 0.88787 0.60251 1.0000 + Te Te1128 1.0 0.47814 0.91912 0.60251 1.0000 + Te Te1129 1.0 0.44689 0.95037 0.60251 1.0000 + Te Te1130 1.0 0.41564 0.98162 0.60251 1.0000 + Te Te1131 1.0 0.38439 0.01287 0.60251 1.0000 + Te Te1132 1.0 0.35314 0.04412 0.60251 1.0000 + Te Te1133 1.0 0.32189 0.07537 0.60251 1.0000 + Te Te1134 1.0 0.29064 0.10662 0.60251 1.0000 + Te Te1135 1.0 0.25939 0.13787 0.60251 1.0000 + Te Te1136 1.0 0.22814 0.16912 0.60251 1.0000 + Te Te1137 1.0 0.72814 0.73162 0.60251 1.0000 + Te Te1138 1.0 0.69689 0.76287 0.60251 1.0000 + Te Te1139 1.0 0.66564 0.79412 0.60251 1.0000 + Te Te1140 1.0 0.63439 0.82537 0.60251 1.0000 + Te Te1141 1.0 0.60314 0.85662 0.60251 1.0000 + Te Te1142 1.0 0.57189 0.88787 0.60251 1.0000 + Te Te1143 1.0 0.54064 0.91912 0.60251 1.0000 + Te Te1144 1.0 0.50939 0.95037 0.60251 1.0000 + Te Te1145 1.0 0.47814 0.98162 0.60251 1.0000 + Te Te1146 1.0 0.44689 0.01287 0.60251 1.0000 + Te Te1147 1.0 0.41564 0.04412 0.60251 1.0000 + Te Te1148 1.0 0.38439 0.07537 0.60251 1.0000 + Te Te1149 1.0 0.35314 0.10662 0.60251 1.0000 + Te Te1150 1.0 0.32189 0.13787 0.60251 1.0000 + Te Te1151 1.0 0.29064 0.16912 0.60251 1.0000 + Te Te1152 1.0 0.25939 0.20037 0.60251 1.0000 + Te Te1153 1.0 0.75939 0.76287 0.60251 1.0000 + Te Te1154 1.0 0.72814 0.79412 0.60251 1.0000 + Te Te1155 1.0 0.69689 0.82537 0.60251 1.0000 + Te Te1156 1.0 0.66564 0.85662 0.60251 1.0000 + Te Te1157 1.0 0.63439 0.88787 0.60251 1.0000 + Te Te1158 1.0 0.60314 0.91912 0.60251 1.0000 + Te Te1159 1.0 0.57189 0.95037 0.60251 1.0000 + Te Te1160 1.0 0.54064 0.98162 0.60251 1.0000 + Te Te1161 1.0 0.50939 0.01287 0.60251 1.0000 + Te Te1162 1.0 0.47814 0.04412 0.60251 1.0000 + Te Te1163 1.0 0.44689 0.07537 0.60251 1.0000 + Te Te1164 1.0 0.41564 0.10662 0.60251 1.0000 + Te Te1165 1.0 0.38439 0.13787 0.60251 1.0000 + Te Te1166 1.0 0.35314 0.16912 0.60251 1.0000 + Te Te1167 1.0 0.32189 0.20037 0.60251 1.0000 + Te Te1168 1.0 0.29064 0.23162 0.60251 1.0000 + Te Te1169 1.0 0.79064 0.79412 0.60251 1.0000 + Te Te1170 1.0 0.75939 0.82537 0.60251 1.0000 + Te Te1171 1.0 0.72814 0.85662 0.60251 1.0000 + Te Te1172 1.0 0.69689 0.88787 0.60251 1.0000 + Te Te1173 1.0 0.66564 0.91912 0.60251 1.0000 + Te Te1174 1.0 0.63439 0.95037 0.60251 1.0000 + Te Te1175 1.0 0.60314 0.98162 0.60251 1.0000 + Te Te1176 1.0 0.57189 0.01287 0.60251 1.0000 + Te Te1177 1.0 0.54064 0.04412 0.60251 1.0000 + Te Te1178 1.0 0.50939 0.07537 0.60251 1.0000 + Te Te1179 1.0 0.47814 0.10662 0.60251 1.0000 + Te Te1180 1.0 0.44689 0.13787 0.60251 1.0000 + Te Te1181 1.0 0.41564 0.16912 0.60251 1.0000 + Te Te1182 1.0 0.38439 0.20037 0.60251 1.0000 + Te Te1183 1.0 0.35314 0.23162 0.60251 1.0000 + Te Te1184 1.0 0.32189 0.26287 0.60251 1.0000 + Te Te1185 1.0 0.82189 0.82537 0.60251 1.0000 + Te Te1186 1.0 0.79064 0.85662 0.60251 1.0000 + Te Te1187 1.0 0.75939 0.88787 0.60251 1.0000 + Te Te1188 1.0 0.72814 0.91912 0.60251 1.0000 + Te Te1189 1.0 0.69689 0.95037 0.60251 1.0000 + Te Te1190 1.0 0.66564 0.98162 0.60251 1.0000 + Te Te1191 1.0 0.63439 0.01287 0.60251 1.0000 + Te Te1192 1.0 0.60314 0.04412 0.60251 1.0000 + Te Te1193 1.0 0.57189 0.07537 0.60251 1.0000 + Te Te1194 1.0 0.54064 0.10662 0.60251 1.0000 + Te Te1195 1.0 0.50939 0.13787 0.60251 1.0000 + Te Te1196 1.0 0.47814 0.16912 0.60251 1.0000 + Te Te1197 1.0 0.44689 0.20037 0.60251 1.0000 + Te Te1198 1.0 0.41564 0.23162 0.60251 1.0000 + Te Te1199 1.0 0.38439 0.26287 0.60251 1.0000 + Te Te1200 1.0 0.35314 0.29412 0.60251 1.0000 + Te Te1201 1.0 0.85314 0.85662 0.60251 1.0000 + Te Te1202 1.0 0.82189 0.88787 0.60251 1.0000 + Te Te1203 1.0 0.79064 0.91912 0.60251 1.0000 + Te Te1204 1.0 0.75939 0.95037 0.60251 1.0000 + Te Te1205 1.0 0.72814 0.98162 0.60251 1.0000 + Te Te1206 1.0 0.69689 0.01287 0.60251 1.0000 + Te Te1207 1.0 0.66564 0.04412 0.60251 1.0000 + Te Te1208 1.0 0.63439 0.07537 0.60251 1.0000 + Te Te1209 1.0 0.60314 0.10662 0.60251 1.0000 + Te Te1210 1.0 0.57189 0.13787 0.60251 1.0000 + Te Te1211 1.0 0.54064 0.16912 0.60251 1.0000 + Te Te1212 1.0 0.50939 0.20037 0.60251 1.0000 + Te Te1213 1.0 0.47814 0.23162 0.60251 1.0000 + Te Te1214 1.0 0.44689 0.26287 0.60251 1.0000 + Te Te1215 1.0 0.41564 0.29412 0.60251 1.0000 + Te Te1216 1.0 0.38439 0.32537 0.60251 1.0000 + Te Te1217 1.0 0.88439 0.88787 0.60251 1.0000 + Te Te1218 1.0 0.85314 0.91912 0.60251 1.0000 + Te Te1219 1.0 0.82189 0.95037 0.60251 1.0000 + Te Te1220 1.0 0.79064 0.98162 0.60251 1.0000 + Te Te1221 1.0 0.75939 0.01287 0.60251 1.0000 + Te Te1222 1.0 0.72814 0.04412 0.60251 1.0000 + Te Te1223 1.0 0.69689 0.07537 0.60251 1.0000 + Te Te1224 1.0 0.66564 0.10662 0.60251 1.0000 + Te Te1225 1.0 0.63439 0.13787 0.60251 1.0000 + Te Te1226 1.0 0.60314 0.16912 0.60251 1.0000 + Te Te1227 1.0 0.57189 0.20037 0.60251 1.0000 + Te Te1228 1.0 0.54064 0.23162 0.60251 1.0000 + Te Te1229 1.0 0.50939 0.26287 0.60251 1.0000 + Te Te1230 1.0 0.47814 0.29412 0.60251 1.0000 + Te Te1231 1.0 0.44689 0.32537 0.60251 1.0000 + Te Te1232 1.0 0.41564 0.35662 0.60251 1.0000 + Te Te1233 1.0 0.91564 0.91912 0.60251 1.0000 + Te Te1234 1.0 0.88439 0.95037 0.60251 1.0000 + Te Te1235 1.0 0.85314 0.98162 0.60251 1.0000 + Te Te1236 1.0 0.82189 0.01287 0.60251 1.0000 + Te Te1237 1.0 0.79064 0.04412 0.60251 1.0000 + Te Te1238 1.0 0.75939 0.07537 0.60251 1.0000 + Te Te1239 1.0 0.72814 0.10662 0.60251 1.0000 + Te Te1240 1.0 0.69689 0.13787 0.60251 1.0000 + Te Te1241 1.0 0.66564 0.16912 0.60251 1.0000 + Te Te1242 1.0 0.63439 0.20037 0.60251 1.0000 + Te Te1243 1.0 0.60314 0.23162 0.60251 1.0000 + Te Te1244 1.0 0.57189 0.26287 0.60251 1.0000 + Te Te1245 1.0 0.54064 0.29412 0.60251 1.0000 + Te Te1246 1.0 0.50939 0.32537 0.60251 1.0000 + Te Te1247 1.0 0.47814 0.35662 0.60251 1.0000 + Te Te1248 1.0 0.44689 0.38787 0.60251 1.0000 + Te Te1249 1.0 0.94689 0.95037 0.60251 1.0000 + Te Te1250 1.0 0.91564 0.98162 0.60251 1.0000 + Te Te1251 1.0 0.88439 0.01287 0.60251 1.0000 + Te Te1252 1.0 0.85314 0.04412 0.60251 1.0000 + Te Te1253 1.0 0.82189 0.07537 0.60251 1.0000 + Te Te1254 1.0 0.79064 0.10662 0.60251 1.0000 + Te Te1255 1.0 0.75939 0.13787 0.60251 1.0000 + Te Te1256 1.0 0.72814 0.16912 0.60251 1.0000 + Te Te1257 1.0 0.69689 0.20037 0.60251 1.0000 + Te Te1258 1.0 0.66564 0.23162 0.60251 1.0000 + Te Te1259 1.0 0.63439 0.26287 0.60251 1.0000 + Te Te1260 1.0 0.60314 0.29412 0.60251 1.0000 + Te Te1261 1.0 0.57189 0.32537 0.60251 1.0000 + Te Te1262 1.0 0.54064 0.35662 0.60251 1.0000 + Te Te1263 1.0 0.50939 0.38787 0.60251 1.0000 + Te Te1264 1.0 0.47814 0.41912 0.60251 1.0000 + Te Te1265 1.0 0.97814 0.98162 0.60251 1.0000 + Te Te1266 1.0 0.94689 0.01287 0.60251 1.0000 + Te Te1267 1.0 0.91564 0.04412 0.60251 1.0000 + Te Te1268 1.0 0.88439 0.07537 0.60251 1.0000 + Te Te1269 1.0 0.85314 0.10662 0.60251 1.0000 + Te Te1270 1.0 0.82189 0.13787 0.60251 1.0000 + Te Te1271 1.0 0.79064 0.16912 0.60251 1.0000 + Te Te1272 1.0 0.75939 0.20037 0.60251 1.0000 + Te Te1273 1.0 0.72814 0.23162 0.60251 1.0000 + Te Te1274 1.0 0.69689 0.26287 0.60251 1.0000 + Te Te1275 1.0 0.66564 0.29412 0.60251 1.0000 + Te Te1276 1.0 0.63439 0.32537 0.60251 1.0000 + Te Te1277 1.0 0.60314 0.35662 0.60251 1.0000 + Te Te1278 1.0 0.57189 0.38787 0.60251 1.0000 + Te Te1279 1.0 0.54064 0.41912 0.60251 1.0000 + Te Te1280 1.0 0.50939 0.45037 0.60251 1.0000 + Te Te1281 1.0 0.50174 0.54199 0.60251 1.0000 + Te Te1282 1.0 0.47049 0.57324 0.60251 1.0000 + Te Te1283 1.0 0.43924 0.60449 0.60251 1.0000 + Te Te1284 1.0 0.40799 0.63574 0.60251 1.0000 + Te Te1285 1.0 0.37674 0.66699 0.60251 1.0000 + Te Te1286 1.0 0.34549 0.69824 0.60251 1.0000 + Te Te1287 1.0 0.31424 0.72949 0.60251 1.0000 + Te Te1288 1.0 0.28299 0.76074 0.60251 1.0000 + Te Te1289 1.0 0.25174 0.79199 0.60251 1.0000 + Te Te1290 1.0 0.22049 0.82324 0.60251 1.0000 + Te Te1291 1.0 0.18924 0.85449 0.60251 1.0000 + Te Te1292 1.0 0.15799 0.88574 0.60251 1.0000 + Te Te1293 1.0 0.12674 0.91699 0.60251 1.0000 + Te Te1294 1.0 0.09549 0.94824 0.60251 1.0000 + Te Te1295 1.0 0.06424 0.97949 0.60251 1.0000 + Te Te1296 1.0 0.03299 0.01074 0.60251 1.0000 + Te Te1297 1.0 0.53299 0.57324 0.60251 1.0000 + Te Te1298 1.0 0.50174 0.60449 0.60251 1.0000 + Te Te1299 1.0 0.47049 0.63574 0.60251 1.0000 + Te Te1300 1.0 0.43924 0.66699 0.60251 1.0000 + Te Te1301 1.0 0.40799 0.69824 0.60251 1.0000 + Te Te1302 1.0 0.37674 0.72949 0.60251 1.0000 + Te Te1303 1.0 0.34549 0.76074 0.60251 1.0000 + Te Te1304 1.0 0.31424 0.79199 0.60251 1.0000 + Te Te1305 1.0 0.28299 0.82324 0.60251 1.0000 + Te Te1306 1.0 0.25174 0.85449 0.60251 1.0000 + Te Te1307 1.0 0.22049 0.88574 0.60251 1.0000 + Te Te1308 1.0 0.18924 0.91699 0.60251 1.0000 + Te Te1309 1.0 0.15799 0.94824 0.60251 1.0000 + Te Te1310 1.0 0.12674 0.97949 0.60251 1.0000 + Te Te1311 1.0 0.09549 0.01074 0.60251 1.0000 + Te Te1312 1.0 0.06424 0.04199 0.60251 1.0000 + Te Te1313 1.0 0.56424 0.60449 0.60251 1.0000 + Te Te1314 1.0 0.53299 0.63574 0.60251 1.0000 + Te Te1315 1.0 0.50174 0.66699 0.60251 1.0000 + Te Te1316 1.0 0.47049 0.69824 0.60251 1.0000 + Te Te1317 1.0 0.43924 0.72949 0.60251 1.0000 + Te Te1318 1.0 0.40799 0.76074 0.60251 1.0000 + Te Te1319 1.0 0.37674 0.79199 0.60251 1.0000 + Te Te1320 1.0 0.34549 0.82324 0.60251 1.0000 + Te Te1321 1.0 0.31424 0.85449 0.60251 1.0000 + Te Te1322 1.0 0.28299 0.88574 0.60251 1.0000 + Te Te1323 1.0 0.25174 0.91699 0.60251 1.0000 + Te Te1324 1.0 0.22049 0.94824 0.60251 1.0000 + Te Te1325 1.0 0.18924 0.97949 0.60251 1.0000 + Te Te1326 1.0 0.15799 0.01074 0.60251 1.0000 + Te Te1327 1.0 0.12674 0.04199 0.60251 1.0000 + Te Te1328 1.0 0.09549 0.07324 0.60251 1.0000 + Te Te1329 1.0 0.59549 0.63574 0.60251 1.0000 + Te Te1330 1.0 0.56424 0.66699 0.60251 1.0000 + Te Te1331 1.0 0.53299 0.69824 0.60251 1.0000 + Te Te1332 1.0 0.50174 0.72949 0.60251 1.0000 + Te Te1333 1.0 0.47049 0.76074 0.60251 1.0000 + Te Te1334 1.0 0.43924 0.79199 0.60251 1.0000 + Te Te1335 1.0 0.40799 0.82324 0.60251 1.0000 + Te Te1336 1.0 0.37674 0.85449 0.60251 1.0000 + Te Te1337 1.0 0.34549 0.88574 0.60251 1.0000 + Te Te1338 1.0 0.31424 0.91699 0.60251 1.0000 + Te Te1339 1.0 0.28299 0.94824 0.60251 1.0000 + Te Te1340 1.0 0.25174 0.97949 0.60251 1.0000 + Te Te1341 1.0 0.22049 0.01074 0.60251 1.0000 + Te Te1342 1.0 0.18924 0.04199 0.60251 1.0000 + Te Te1343 1.0 0.15799 0.07324 0.60251 1.0000 + Te Te1344 1.0 0.12674 0.10449 0.60251 1.0000 + Te Te1345 1.0 0.62674 0.66699 0.60251 1.0000 + Te Te1346 1.0 0.59549 0.69824 0.60251 1.0000 + Te Te1347 1.0 0.56424 0.72949 0.60251 1.0000 + Te Te1348 1.0 0.53299 0.76074 0.60251 1.0000 + Te Te1349 1.0 0.50174 0.79199 0.60251 1.0000 + Te Te1350 1.0 0.47049 0.82324 0.60251 1.0000 + Te Te1351 1.0 0.43924 0.85449 0.60251 1.0000 + Te Te1352 1.0 0.40799 0.88574 0.60251 1.0000 + Te Te1353 1.0 0.37674 0.91699 0.60251 1.0000 + Te Te1354 1.0 0.34549 0.94824 0.60251 1.0000 + Te Te1355 1.0 0.31424 0.97949 0.60251 1.0000 + Te Te1356 1.0 0.28299 0.01074 0.60251 1.0000 + Te Te1357 1.0 0.25174 0.04199 0.60251 1.0000 + Te Te1358 1.0 0.22049 0.07324 0.60251 1.0000 + Te Te1359 1.0 0.18924 0.10449 0.60251 1.0000 + Te Te1360 1.0 0.15799 0.13574 0.60251 1.0000 + Te Te1361 1.0 0.65799 0.69824 0.60251 1.0000 + Te Te1362 1.0 0.62674 0.72949 0.60251 1.0000 + Te Te1363 1.0 0.59549 0.76074 0.60251 1.0000 + Te Te1364 1.0 0.56424 0.79199 0.60251 1.0000 + Te Te1365 1.0 0.53299 0.82324 0.60251 1.0000 + Te Te1366 1.0 0.50174 0.85449 0.60251 1.0000 + Te Te1367 1.0 0.47049 0.88574 0.60251 1.0000 + Te Te1368 1.0 0.43924 0.91699 0.60251 1.0000 + Te Te1369 1.0 0.40799 0.94824 0.60251 1.0000 + Te Te1370 1.0 0.37674 0.97949 0.60251 1.0000 + Te Te1371 1.0 0.34549 0.01074 0.60251 1.0000 + Te Te1372 1.0 0.31424 0.04199 0.60251 1.0000 + Te Te1373 1.0 0.28299 0.07324 0.60251 1.0000 + Te Te1374 1.0 0.25174 0.10449 0.60251 1.0000 + Te Te1375 1.0 0.22049 0.13574 0.60251 1.0000 + Te Te1376 1.0 0.18924 0.16699 0.60251 1.0000 + Te Te1377 1.0 0.68924 0.72949 0.60251 1.0000 + Te Te1378 1.0 0.65799 0.76074 0.60251 1.0000 + Te Te1379 1.0 0.62674 0.79199 0.60251 1.0000 + Te Te1380 1.0 0.59549 0.82324 0.60251 1.0000 + Te Te1381 1.0 0.56424 0.85449 0.60251 1.0000 + Te Te1382 1.0 0.53299 0.88574 0.60251 1.0000 + Te Te1383 1.0 0.50174 0.91699 0.60251 1.0000 + Te Te1384 1.0 0.47049 0.94824 0.60251 1.0000 + Te Te1385 1.0 0.43924 0.97949 0.60251 1.0000 + Te Te1386 1.0 0.40799 0.01074 0.60251 1.0000 + Te Te1387 1.0 0.37674 0.04199 0.60251 1.0000 + Te Te1388 1.0 0.34549 0.07324 0.60251 1.0000 + Te Te1389 1.0 0.31424 0.10449 0.60251 1.0000 + Te Te1390 1.0 0.28299 0.13574 0.60251 1.0000 + Te Te1391 1.0 0.25174 0.16699 0.60251 1.0000 + Te Te1392 1.0 0.22049 0.19824 0.60251 1.0000 + Te Te1393 1.0 0.72049 0.76074 0.60251 1.0000 + Te Te1394 1.0 0.68924 0.79199 0.60251 1.0000 + Te Te1395 1.0 0.65799 0.82324 0.60251 1.0000 + Te Te1396 1.0 0.62674 0.85449 0.60251 1.0000 + Te Te1397 1.0 0.59549 0.88574 0.60251 1.0000 + Te Te1398 1.0 0.56424 0.91699 0.60251 1.0000 + Te Te1399 1.0 0.53299 0.94824 0.60251 1.0000 + Te Te1400 1.0 0.50174 0.97949 0.60251 1.0000 + Te Te1401 1.0 0.47049 0.01074 0.60251 1.0000 + Te Te1402 1.0 0.43924 0.04199 0.60251 1.0000 + Te Te1403 1.0 0.40799 0.07324 0.60251 1.0000 + Te Te1404 1.0 0.37674 0.10449 0.60251 1.0000 + Te Te1405 1.0 0.34549 0.13574 0.60251 1.0000 + Te Te1406 1.0 0.31424 0.16699 0.60251 1.0000 + Te Te1407 1.0 0.28299 0.19824 0.60251 1.0000 + Te Te1408 1.0 0.25174 0.22949 0.60251 1.0000 + Te Te1409 1.0 0.75174 0.79199 0.60251 1.0000 + Te Te1410 1.0 0.72049 0.82324 0.60251 1.0000 + Te Te1411 1.0 0.68924 0.85449 0.60251 1.0000 + Te Te1412 1.0 0.65799 0.88574 0.60251 1.0000 + Te Te1413 1.0 0.62674 0.91699 0.60251 1.0000 + Te Te1414 1.0 0.59549 0.94824 0.60251 1.0000 + Te Te1415 1.0 0.56424 0.97949 0.60251 1.0000 + Te Te1416 1.0 0.53299 0.01074 0.60251 1.0000 + Te Te1417 1.0 0.50174 0.04199 0.60251 1.0000 + Te Te1418 1.0 0.47049 0.07324 0.60251 1.0000 + Te Te1419 1.0 0.43924 0.10449 0.60251 1.0000 + Te Te1420 1.0 0.40799 0.13574 0.60251 1.0000 + Te Te1421 1.0 0.37674 0.16699 0.60251 1.0000 + Te Te1422 1.0 0.34549 0.19824 0.60251 1.0000 + Te Te1423 1.0 0.31424 0.22949 0.60251 1.0000 + Te Te1424 1.0 0.28299 0.26074 0.60251 1.0000 + Te Te1425 1.0 0.78299 0.82324 0.60251 1.0000 + Te Te1426 1.0 0.75174 0.85449 0.60251 1.0000 + Te Te1427 1.0 0.72049 0.88574 0.60251 1.0000 + Te Te1428 1.0 0.68924 0.91699 0.60251 1.0000 + Te Te1429 1.0 0.65799 0.94824 0.60251 1.0000 + Te Te1430 1.0 0.62674 0.97949 0.60251 1.0000 + Te Te1431 1.0 0.59549 0.01074 0.60251 1.0000 + Te Te1432 1.0 0.56424 0.04199 0.60251 1.0000 + Te Te1433 1.0 0.53299 0.07324 0.60251 1.0000 + Te Te1434 1.0 0.50174 0.10449 0.60251 1.0000 + Te Te1435 1.0 0.47049 0.13574 0.60251 1.0000 + Te Te1436 1.0 0.43924 0.16699 0.60251 1.0000 + Te Te1437 1.0 0.40799 0.19824 0.60251 1.0000 + Te Te1438 1.0 0.37674 0.22949 0.60251 1.0000 + Te Te1439 1.0 0.34549 0.26074 0.60251 1.0000 + Te Te1440 1.0 0.31424 0.29199 0.60251 1.0000 + Te Te1441 1.0 0.81424 0.85449 0.60251 1.0000 + Te Te1442 1.0 0.78299 0.88574 0.60251 1.0000 + Te Te1443 1.0 0.75174 0.91699 0.60251 1.0000 + Te Te1444 1.0 0.72049 0.94824 0.60251 1.0000 + Te Te1445 1.0 0.68924 0.97949 0.60251 1.0000 + Te Te1446 1.0 0.65799 0.01074 0.60251 1.0000 + Te Te1447 1.0 0.62674 0.04199 0.60251 1.0000 + Te Te1448 1.0 0.59549 0.07324 0.60251 1.0000 + Te Te1449 1.0 0.56424 0.10449 0.60251 1.0000 + Te Te1450 1.0 0.53299 0.13574 0.60251 1.0000 + Te Te1451 1.0 0.50174 0.16699 0.60251 1.0000 + Te Te1452 1.0 0.47049 0.19824 0.60251 1.0000 + Te Te1453 1.0 0.43924 0.22949 0.60251 1.0000 + Te Te1454 1.0 0.40799 0.26074 0.60251 1.0000 + Te Te1455 1.0 0.37674 0.29199 0.60251 1.0000 + Te Te1456 1.0 0.34549 0.32324 0.60251 1.0000 + Te Te1457 1.0 0.84549 0.88574 0.60251 1.0000 + Te Te1458 1.0 0.81424 0.91699 0.60251 1.0000 + Te Te1459 1.0 0.78299 0.94824 0.60251 1.0000 + Te Te1460 1.0 0.75174 0.97949 0.60251 1.0000 + Te Te1461 1.0 0.72049 0.01074 0.60251 1.0000 + Te Te1462 1.0 0.68924 0.04199 0.60251 1.0000 + Te Te1463 1.0 0.65799 0.07324 0.60251 1.0000 + Te Te1464 1.0 0.62674 0.10449 0.60251 1.0000 + Te Te1465 1.0 0.59549 0.13574 0.60251 1.0000 + Te Te1466 1.0 0.56424 0.16699 0.60251 1.0000 + Te Te1467 1.0 0.53299 0.19824 0.60251 1.0000 + Te Te1468 1.0 0.50174 0.22949 0.60251 1.0000 + Te Te1469 1.0 0.47049 0.26074 0.60251 1.0000 + Te Te1470 1.0 0.43924 0.29199 0.60251 1.0000 + Te Te1471 1.0 0.40799 0.32324 0.60251 1.0000 + Te Te1472 1.0 0.37674 0.35449 0.60251 1.0000 + Te Te1473 1.0 0.87674 0.91699 0.60251 1.0000 + Te Te1474 1.0 0.84549 0.94824 0.60251 1.0000 + Te Te1475 1.0 0.81424 0.97949 0.60251 1.0000 + Te Te1476 1.0 0.78299 0.01074 0.60251 1.0000 + Te Te1477 1.0 0.75174 0.04199 0.60251 1.0000 + Te Te1478 1.0 0.72049 0.07324 0.60251 1.0000 + Te Te1479 1.0 0.68924 0.10449 0.60251 1.0000 + Te Te1480 1.0 0.65799 0.13574 0.60251 1.0000 + Te Te1481 1.0 0.62674 0.16699 0.60251 1.0000 + Te Te1482 1.0 0.59549 0.19824 0.60251 1.0000 + Te Te1483 1.0 0.56424 0.22949 0.60251 1.0000 + Te Te1484 1.0 0.53299 0.26074 0.60251 1.0000 + Te Te1485 1.0 0.50174 0.29199 0.60251 1.0000 + Te Te1486 1.0 0.47049 0.32324 0.60251 1.0000 + Te Te1487 1.0 0.43924 0.35449 0.60251 1.0000 + Te Te1488 1.0 0.40799 0.38574 0.60251 1.0000 + Te Te1489 1.0 0.90799 0.94824 0.60251 1.0000 + Te Te1490 1.0 0.87674 0.97949 0.60251 1.0000 + Te Te1491 1.0 0.84549 0.01074 0.60251 1.0000 + Te Te1492 1.0 0.81424 0.04199 0.60251 1.0000 + Te Te1493 1.0 0.78299 0.07324 0.60251 1.0000 + Te Te1494 1.0 0.75174 0.10449 0.60251 1.0000 + Te Te1495 1.0 0.72049 0.13574 0.60251 1.0000 + Te Te1496 1.0 0.68924 0.16699 0.60251 1.0000 + Te Te1497 1.0 0.65799 0.19824 0.60251 1.0000 + Te Te1498 1.0 0.62674 0.22949 0.60251 1.0000 + Te Te1499 1.0 0.59549 0.26074 0.60251 1.0000 + Te Te1500 1.0 0.56424 0.29199 0.60251 1.0000 + Te Te1501 1.0 0.53299 0.32324 0.60251 1.0000 + Te Te1502 1.0 0.50174 0.35449 0.60251 1.0000 + Te Te1503 1.0 0.47049 0.38574 0.60251 1.0000 + Te Te1504 1.0 0.43924 0.41699 0.60251 1.0000 + Te Te1505 1.0 0.93924 0.97949 0.60251 1.0000 + Te Te1506 1.0 0.90799 0.01074 0.60251 1.0000 + Te Te1507 1.0 0.87674 0.04199 0.60251 1.0000 + Te Te1508 1.0 0.84549 0.07324 0.60251 1.0000 + Te Te1509 1.0 0.81424 0.10449 0.60251 1.0000 + Te Te1510 1.0 0.78299 0.13574 0.60251 1.0000 + Te Te1511 1.0 0.75174 0.16699 0.60251 1.0000 + Te Te1512 1.0 0.72049 0.19824 0.60251 1.0000 + Te Te1513 1.0 0.68924 0.22949 0.60251 1.0000 + Te Te1514 1.0 0.65799 0.26074 0.60251 1.0000 + Te Te1515 1.0 0.62674 0.29199 0.60251 1.0000 + Te Te1516 1.0 0.59549 0.32324 0.60251 1.0000 + Te Te1517 1.0 0.56424 0.35449 0.60251 1.0000 + Te Te1518 1.0 0.53299 0.38574 0.60251 1.0000 + Te Te1519 1.0 0.50174 0.41699 0.60251 1.0000 + Te Te1520 1.0 0.47049 0.44824 0.60251 1.0000 + Te Te1521 1.0 0.97049 0.01074 0.60251 1.0000 + Te Te1522 1.0 0.93924 0.04199 0.60251 1.0000 + Te Te1523 1.0 0.90799 0.07324 0.60251 1.0000 + Te Te1524 1.0 0.87674 0.10449 0.60251 1.0000 + Te Te1525 1.0 0.84549 0.13574 0.60251 1.0000 + Te Te1526 1.0 0.81424 0.16699 0.60251 1.0000 + Te Te1527 1.0 0.78299 0.19824 0.60251 1.0000 + Te Te1528 1.0 0.75174 0.22949 0.60251 1.0000 + Te Te1529 1.0 0.72049 0.26074 0.60251 1.0000 + Te Te1530 1.0 0.68924 0.29199 0.60251 1.0000 + Te Te1531 1.0 0.65799 0.32324 0.60251 1.0000 + Te Te1532 1.0 0.62674 0.35449 0.60251 1.0000 + Te Te1533 1.0 0.59549 0.38574 0.60251 1.0000 + Te Te1534 1.0 0.56424 0.41699 0.60251 1.0000 + Te Te1535 1.0 0.53299 0.44824 0.60251 1.0000 + Te Te1536 1.0 0.50174 0.47949 0.60251 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4487_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4487_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..4f8f984e30c79e86b5778a407230e2e3fd062d33 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4487_supercell_12x12x1.cif @@ -0,0 +1,2329 @@ +data_image0 +_chemical_formula_structural Ru288Cl864Ru288Cl864 +_chemical_formula_sum "Ru576 Cl1728" +_cell_length_a 123.323 +_cell_length_b 71.2015 +_cell_length_c 6.73315 +_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 + 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Cl1243 1.0 0.52735 0.05599 0.29704 1.0000 + Cl Cl1244 1.0 0.48568 0.09766 0.29704 1.0000 + Cl Cl1245 1.0 0.44401 0.13932 0.29704 1.0000 + Cl Cl1246 1.0 0.40235 0.18099 0.29704 1.0000 + Cl Cl1247 1.0 0.36068 0.22266 0.29704 1.0000 + Cl Cl1248 1.0 0.31901 0.26432 0.29704 1.0000 + Cl Cl1249 1.0 0.81901 0.84766 0.29704 1.0000 + Cl Cl1250 1.0 0.77735 0.88932 0.29704 1.0000 + Cl Cl1251 1.0 0.73568 0.93099 0.29704 1.0000 + Cl Cl1252 1.0 0.69401 0.97266 0.29704 1.0000 + Cl Cl1253 1.0 0.65235 0.01432 0.29704 1.0000 + Cl Cl1254 1.0 0.61068 0.05599 0.29704 1.0000 + Cl Cl1255 1.0 0.56901 0.09766 0.29704 1.0000 + Cl Cl1256 1.0 0.52735 0.13932 0.29704 1.0000 + Cl Cl1257 1.0 0.48568 0.18099 0.29704 1.0000 + Cl Cl1258 1.0 0.44401 0.22266 0.29704 1.0000 + Cl Cl1259 1.0 0.40235 0.26432 0.29704 1.0000 + Cl Cl1260 1.0 0.36068 0.30599 0.29704 1.0000 + Cl Cl1261 1.0 0.86068 0.88932 0.29704 1.0000 + Cl Cl1262 1.0 0.81901 0.93099 0.29704 1.0000 + Cl Cl1263 1.0 0.77735 0.97266 0.29704 1.0000 + Cl Cl1264 1.0 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Cl1349 1.0 0.50000 0.88802 0.29704 1.0000 + Cl Cl1350 1.0 0.45833 0.92969 0.29704 1.0000 + Cl Cl1351 1.0 0.41667 0.97136 0.29704 1.0000 + Cl Cl1352 1.0 0.37500 0.01302 0.29704 1.0000 + Cl Cl1353 1.0 0.33333 0.05469 0.29704 1.0000 + Cl Cl1354 1.0 0.29167 0.09636 0.29704 1.0000 + Cl Cl1355 1.0 0.25000 0.13802 0.29704 1.0000 + Cl Cl1356 1.0 0.20833 0.17969 0.29704 1.0000 + Cl Cl1357 1.0 0.70833 0.76302 0.29704 1.0000 + Cl Cl1358 1.0 0.66667 0.80469 0.29704 1.0000 + Cl Cl1359 1.0 0.62500 0.84636 0.29704 1.0000 + Cl Cl1360 1.0 0.58333 0.88802 0.29704 1.0000 + Cl Cl1361 1.0 0.54167 0.92969 0.29704 1.0000 + Cl Cl1362 1.0 0.50000 0.97136 0.29704 1.0000 + Cl Cl1363 1.0 0.45833 0.01302 0.29704 1.0000 + Cl Cl1364 1.0 0.41667 0.05469 0.29704 1.0000 + Cl Cl1365 1.0 0.37500 0.09636 0.29704 1.0000 + Cl Cl1366 1.0 0.33333 0.13802 0.29704 1.0000 + Cl Cl1367 1.0 0.29167 0.17969 0.29704 1.0000 + Cl Cl1368 1.0 0.25000 0.22136 0.29704 1.0000 + Cl Cl1369 1.0 0.75000 0.80469 0.29704 1.0000 + Cl Cl1370 1.0 0.70833 0.84636 0.29704 1.0000 + Cl Cl1371 1.0 0.66667 0.88802 0.29704 1.0000 + Cl Cl1372 1.0 0.62500 0.92969 0.29704 1.0000 + Cl Cl1373 1.0 0.58333 0.97136 0.29704 1.0000 + Cl Cl1374 1.0 0.54167 0.01302 0.29704 1.0000 + Cl Cl1375 1.0 0.50000 0.05469 0.29704 1.0000 + Cl Cl1376 1.0 0.45833 0.09636 0.29704 1.0000 + Cl Cl1377 1.0 0.41667 0.13802 0.29704 1.0000 + Cl Cl1378 1.0 0.37500 0.17969 0.29704 1.0000 + Cl Cl1379 1.0 0.33333 0.22136 0.29704 1.0000 + Cl Cl1380 1.0 0.29167 0.26302 0.29704 1.0000 + Cl Cl1381 1.0 0.79167 0.84636 0.29704 1.0000 + Cl Cl1382 1.0 0.75000 0.88802 0.29704 1.0000 + Cl Cl1383 1.0 0.70833 0.92969 0.29704 1.0000 + Cl Cl1384 1.0 0.66667 0.97136 0.29704 1.0000 + Cl Cl1385 1.0 0.62500 0.01302 0.29704 1.0000 + Cl Cl1386 1.0 0.58333 0.05469 0.29704 1.0000 + Cl Cl1387 1.0 0.54167 0.09636 0.29704 1.0000 + Cl Cl1388 1.0 0.50000 0.13802 0.29704 1.0000 + Cl Cl1389 1.0 0.45833 0.17969 0.29704 1.0000 + Cl Cl1390 1.0 0.41667 0.22136 0.29704 1.0000 + Cl Cl1391 1.0 0.37500 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1.0000 + Cl Cl1434 1.0 0.75000 0.22136 0.29704 1.0000 + Cl Cl1435 1.0 0.70833 0.26302 0.29704 1.0000 + Cl Cl1436 1.0 0.66667 0.30469 0.29704 1.0000 + Cl Cl1437 1.0 0.62500 0.34636 0.29704 1.0000 + Cl Cl1438 1.0 0.58333 0.38802 0.29704 1.0000 + Cl Cl1439 1.0 0.54167 0.42969 0.29704 1.0000 + Cl Cl1440 1.0 0.50000 0.47136 0.29704 1.0000 + Cl Cl1441 1.0 0.51432 0.56901 0.70296 1.0000 + Cl Cl1442 1.0 0.47265 0.61068 0.70296 1.0000 + Cl Cl1443 1.0 0.43099 0.65234 0.70296 1.0000 + Cl Cl1444 1.0 0.38932 0.69401 0.70296 1.0000 + Cl Cl1445 1.0 0.34765 0.73568 0.70296 1.0000 + Cl Cl1446 1.0 0.30599 0.77734 0.70296 1.0000 + Cl Cl1447 1.0 0.26432 0.81901 0.70296 1.0000 + Cl Cl1448 1.0 0.22265 0.86068 0.70296 1.0000 + Cl Cl1449 1.0 0.18099 0.90234 0.70296 1.0000 + Cl Cl1450 1.0 0.13932 0.94401 0.70296 1.0000 + Cl Cl1451 1.0 0.09765 0.98568 0.70296 1.0000 + Cl Cl1452 1.0 0.05599 0.02734 0.70296 1.0000 + Cl Cl1453 1.0 0.55599 0.61068 0.70296 1.0000 + Cl Cl1454 1.0 0.51432 0.65234 0.70296 1.0000 + Cl Cl1455 1.0 0.47265 0.69401 0.70296 1.0000 + Cl Cl1456 1.0 0.43099 0.73568 0.70296 1.0000 + Cl Cl1457 1.0 0.38932 0.77734 0.70296 1.0000 + Cl Cl1458 1.0 0.34765 0.81901 0.70296 1.0000 + Cl Cl1459 1.0 0.30599 0.86068 0.70296 1.0000 + Cl Cl1460 1.0 0.26432 0.90234 0.70296 1.0000 + Cl Cl1461 1.0 0.22265 0.94401 0.70296 1.0000 + Cl Cl1462 1.0 0.18099 0.98568 0.70296 1.0000 + Cl Cl1463 1.0 0.13932 0.02734 0.70296 1.0000 + Cl Cl1464 1.0 0.09765 0.06901 0.70296 1.0000 + Cl Cl1465 1.0 0.59765 0.65234 0.70296 1.0000 + Cl Cl1466 1.0 0.55599 0.69401 0.70296 1.0000 + Cl Cl1467 1.0 0.51432 0.73568 0.70296 1.0000 + Cl Cl1468 1.0 0.47265 0.77734 0.70296 1.0000 + Cl Cl1469 1.0 0.43099 0.81901 0.70296 1.0000 + Cl Cl1470 1.0 0.38932 0.86068 0.70296 1.0000 + Cl Cl1471 1.0 0.34765 0.90234 0.70296 1.0000 + Cl Cl1472 1.0 0.30599 0.94401 0.70296 1.0000 + Cl Cl1473 1.0 0.26432 0.98568 0.70296 1.0000 + Cl Cl1474 1.0 0.22265 0.02734 0.70296 1.0000 + Cl Cl1475 1.0 0.18099 0.06901 0.70296 1.0000 + Cl Cl1476 1.0 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0.06901 0.70296 1.0000 + Cl Cl1498 1.0 0.30599 0.11068 0.70296 1.0000 + Cl Cl1499 1.0 0.26432 0.15234 0.70296 1.0000 + Cl Cl1500 1.0 0.22265 0.19401 0.70296 1.0000 + Cl Cl1501 1.0 0.72265 0.77734 0.70296 1.0000 + Cl Cl1502 1.0 0.68099 0.81901 0.70296 1.0000 + Cl Cl1503 1.0 0.63932 0.86068 0.70296 1.0000 + Cl Cl1504 1.0 0.59765 0.90234 0.70296 1.0000 + Cl Cl1505 1.0 0.55599 0.94401 0.70296 1.0000 + Cl Cl1506 1.0 0.51432 0.98568 0.70296 1.0000 + Cl Cl1507 1.0 0.47265 0.02734 0.70296 1.0000 + Cl Cl1508 1.0 0.43099 0.06901 0.70296 1.0000 + Cl Cl1509 1.0 0.38932 0.11068 0.70296 1.0000 + Cl Cl1510 1.0 0.34765 0.15234 0.70296 1.0000 + Cl Cl1511 1.0 0.30599 0.19401 0.70296 1.0000 + Cl Cl1512 1.0 0.26432 0.23568 0.70296 1.0000 + Cl Cl1513 1.0 0.76432 0.81901 0.70296 1.0000 + Cl Cl1514 1.0 0.72265 0.86068 0.70296 1.0000 + Cl Cl1515 1.0 0.68099 0.90234 0.70296 1.0000 + Cl Cl1516 1.0 0.63932 0.94401 0.70296 1.0000 + Cl Cl1517 1.0 0.59765 0.98568 0.70296 1.0000 + Cl Cl1518 1.0 0.55599 0.02734 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Cl1561 1.0 0.93099 0.98568 0.70296 1.0000 + Cl Cl1562 1.0 0.88932 0.02734 0.70296 1.0000 + Cl Cl1563 1.0 0.84765 0.06901 0.70296 1.0000 + Cl Cl1564 1.0 0.80599 0.11068 0.70296 1.0000 + Cl Cl1565 1.0 0.76432 0.15234 0.70296 1.0000 + Cl Cl1566 1.0 0.72265 0.19401 0.70296 1.0000 + Cl Cl1567 1.0 0.68099 0.23568 0.70296 1.0000 + Cl Cl1568 1.0 0.63932 0.27734 0.70296 1.0000 + Cl Cl1569 1.0 0.59765 0.31901 0.70296 1.0000 + Cl Cl1570 1.0 0.55599 0.36068 0.70296 1.0000 + Cl Cl1571 1.0 0.51432 0.40234 0.70296 1.0000 + Cl Cl1572 1.0 0.47265 0.44401 0.70296 1.0000 + Cl Cl1573 1.0 0.97265 0.02734 0.70296 1.0000 + Cl Cl1574 1.0 0.93099 0.06901 0.70296 1.0000 + Cl Cl1575 1.0 0.88932 0.11068 0.70296 1.0000 + Cl Cl1576 1.0 0.84765 0.15234 0.70296 1.0000 + Cl Cl1577 1.0 0.80599 0.19401 0.70296 1.0000 + Cl Cl1578 1.0 0.76432 0.23568 0.70296 1.0000 + Cl Cl1579 1.0 0.72265 0.27734 0.70296 1.0000 + Cl Cl1580 1.0 0.68099 0.31901 0.70296 1.0000 + Cl Cl1581 1.0 0.63932 0.36068 0.70296 1.0000 + Cl Cl1582 1.0 0.59765 0.40234 0.70296 1.0000 + Cl Cl1583 1.0 0.55599 0.44401 0.70296 1.0000 + Cl Cl1584 1.0 0.51432 0.48568 0.70296 1.0000 + Cl Cl1585 1.0 0.52735 0.52735 0.70284 1.0000 + Cl Cl1586 1.0 0.48568 0.56902 0.70284 1.0000 + Cl Cl1587 1.0 0.44402 0.61068 0.70284 1.0000 + Cl Cl1588 1.0 0.40235 0.65235 0.70284 1.0000 + Cl Cl1589 1.0 0.36068 0.69402 0.70284 1.0000 + Cl Cl1590 1.0 0.31902 0.73568 0.70284 1.0000 + Cl Cl1591 1.0 0.27735 0.77735 0.70284 1.0000 + Cl Cl1592 1.0 0.23568 0.81902 0.70284 1.0000 + Cl Cl1593 1.0 0.19402 0.86068 0.70284 1.0000 + Cl Cl1594 1.0 0.15235 0.90235 0.70284 1.0000 + Cl Cl1595 1.0 0.11068 0.94402 0.70284 1.0000 + Cl Cl1596 1.0 0.06902 0.98568 0.70284 1.0000 + Cl Cl1597 1.0 0.56902 0.56902 0.70284 1.0000 + Cl Cl1598 1.0 0.52735 0.61068 0.70284 1.0000 + Cl Cl1599 1.0 0.48568 0.65235 0.70284 1.0000 + Cl Cl1600 1.0 0.44402 0.69402 0.70284 1.0000 + Cl Cl1601 1.0 0.40235 0.73568 0.70284 1.0000 + Cl Cl1602 1.0 0.36068 0.77735 0.70284 1.0000 + Cl Cl1603 1.0 0.31902 0.81902 0.70284 1.0000 + Cl Cl1604 1.0 0.27735 0.86068 0.70284 1.0000 + Cl Cl1605 1.0 0.23568 0.90235 0.70284 1.0000 + Cl Cl1606 1.0 0.19402 0.94402 0.70284 1.0000 + Cl Cl1607 1.0 0.15235 0.98568 0.70284 1.0000 + Cl Cl1608 1.0 0.11068 0.02735 0.70284 1.0000 + Cl Cl1609 1.0 0.61068 0.61068 0.70284 1.0000 + Cl Cl1610 1.0 0.56902 0.65235 0.70284 1.0000 + Cl Cl1611 1.0 0.52735 0.69402 0.70284 1.0000 + Cl Cl1612 1.0 0.48568 0.73568 0.70284 1.0000 + Cl Cl1613 1.0 0.44402 0.77735 0.70284 1.0000 + Cl Cl1614 1.0 0.40235 0.81902 0.70284 1.0000 + Cl Cl1615 1.0 0.36068 0.86068 0.70284 1.0000 + Cl Cl1616 1.0 0.31902 0.90235 0.70284 1.0000 + Cl Cl1617 1.0 0.27735 0.94402 0.70284 1.0000 + Cl Cl1618 1.0 0.23568 0.98568 0.70284 1.0000 + Cl Cl1619 1.0 0.19402 0.02735 0.70284 1.0000 + Cl Cl1620 1.0 0.15235 0.06902 0.70284 1.0000 + Cl Cl1621 1.0 0.65235 0.65235 0.70284 1.0000 + Cl Cl1622 1.0 0.61068 0.69402 0.70284 1.0000 + Cl Cl1623 1.0 0.56902 0.73568 0.70284 1.0000 + Cl Cl1624 1.0 0.52735 0.77735 0.70284 1.0000 + Cl Cl1625 1.0 0.48568 0.81902 0.70284 1.0000 + Cl Cl1626 1.0 0.44402 0.86068 0.70284 1.0000 + Cl Cl1627 1.0 0.40235 0.90235 0.70284 1.0000 + Cl Cl1628 1.0 0.36068 0.94402 0.70284 1.0000 + Cl Cl1629 1.0 0.31902 0.98568 0.70284 1.0000 + Cl Cl1630 1.0 0.27735 0.02735 0.70284 1.0000 + Cl Cl1631 1.0 0.23568 0.06902 0.70284 1.0000 + Cl Cl1632 1.0 0.19402 0.11068 0.70284 1.0000 + Cl Cl1633 1.0 0.69402 0.69402 0.70284 1.0000 + Cl Cl1634 1.0 0.65235 0.73568 0.70284 1.0000 + Cl Cl1635 1.0 0.61068 0.77735 0.70284 1.0000 + Cl Cl1636 1.0 0.56902 0.81902 0.70284 1.0000 + Cl Cl1637 1.0 0.52735 0.86068 0.70284 1.0000 + Cl Cl1638 1.0 0.48568 0.90235 0.70284 1.0000 + Cl Cl1639 1.0 0.44402 0.94402 0.70284 1.0000 + Cl Cl1640 1.0 0.40235 0.98568 0.70284 1.0000 + Cl Cl1641 1.0 0.36068 0.02735 0.70284 1.0000 + Cl Cl1642 1.0 0.31902 0.06902 0.70284 1.0000 + Cl Cl1643 1.0 0.27735 0.11068 0.70284 1.0000 + Cl Cl1644 1.0 0.23568 0.15235 0.70284 1.0000 + Cl Cl1645 1.0 0.73568 0.73568 0.70284 1.0000 + Cl Cl1646 1.0 0.69402 0.77735 0.70284 1.0000 + Cl Cl1647 1.0 0.65235 0.81902 0.70284 1.0000 + Cl Cl1648 1.0 0.61068 0.86068 0.70284 1.0000 + Cl Cl1649 1.0 0.56902 0.90235 0.70284 1.0000 + Cl Cl1650 1.0 0.52735 0.94402 0.70284 1.0000 + Cl Cl1651 1.0 0.48568 0.98568 0.70284 1.0000 + Cl Cl1652 1.0 0.44402 0.02735 0.70284 1.0000 + Cl Cl1653 1.0 0.40235 0.06902 0.70284 1.0000 + Cl Cl1654 1.0 0.36068 0.11068 0.70284 1.0000 + Cl Cl1655 1.0 0.31902 0.15235 0.70284 1.0000 + Cl Cl1656 1.0 0.27735 0.19402 0.70284 1.0000 + Cl Cl1657 1.0 0.77735 0.77735 0.70284 1.0000 + Cl Cl1658 1.0 0.73568 0.81902 0.70284 1.0000 + Cl Cl1659 1.0 0.69402 0.86068 0.70284 1.0000 + Cl Cl1660 1.0 0.65235 0.90235 0.70284 1.0000 + Cl Cl1661 1.0 0.61068 0.94402 0.70284 1.0000 + Cl Cl1662 1.0 0.56902 0.98568 0.70284 1.0000 + Cl Cl1663 1.0 0.52735 0.02735 0.70284 1.0000 + Cl Cl1664 1.0 0.48568 0.06902 0.70284 1.0000 + Cl Cl1665 1.0 0.44402 0.11068 0.70284 1.0000 + Cl Cl1666 1.0 0.40235 0.15235 0.70284 1.0000 + Cl Cl1667 1.0 0.36068 0.19402 0.70284 1.0000 + Cl Cl1668 1.0 0.31902 0.23568 0.70284 1.0000 + Cl Cl1669 1.0 0.81902 0.81902 0.70284 1.0000 + Cl Cl1670 1.0 0.77735 0.86068 0.70284 1.0000 + Cl Cl1671 1.0 0.73568 0.90235 0.70284 1.0000 + Cl Cl1672 1.0 0.69402 0.94402 0.70284 1.0000 + Cl Cl1673 1.0 0.65235 0.98568 0.70284 1.0000 + Cl Cl1674 1.0 0.61068 0.02735 0.70284 1.0000 + Cl Cl1675 1.0 0.56902 0.06902 0.70284 1.0000 + Cl Cl1676 1.0 0.52735 0.11068 0.70284 1.0000 + Cl Cl1677 1.0 0.48568 0.15235 0.70284 1.0000 + Cl Cl1678 1.0 0.44402 0.19402 0.70284 1.0000 + Cl Cl1679 1.0 0.40235 0.23568 0.70284 1.0000 + Cl Cl1680 1.0 0.36068 0.27735 0.70284 1.0000 + Cl Cl1681 1.0 0.86068 0.86068 0.70284 1.0000 + Cl Cl1682 1.0 0.81902 0.90235 0.70284 1.0000 + Cl Cl1683 1.0 0.77735 0.94402 0.70284 1.0000 + Cl Cl1684 1.0 0.73568 0.98568 0.70284 1.0000 + Cl Cl1685 1.0 0.69402 0.02735 0.70284 1.0000 + Cl Cl1686 1.0 0.65235 0.06902 0.70284 1.0000 + Cl Cl1687 1.0 0.61068 0.11068 0.70284 1.0000 + Cl Cl1688 1.0 0.56902 0.15235 0.70284 1.0000 + Cl Cl1689 1.0 0.52735 0.19402 0.70284 1.0000 + Cl Cl1690 1.0 0.48568 0.23568 0.70284 1.0000 + Cl Cl1691 1.0 0.44402 0.27735 0.70284 1.0000 + Cl Cl1692 1.0 0.40235 0.31902 0.70284 1.0000 + Cl Cl1693 1.0 0.90235 0.90235 0.70284 1.0000 + Cl Cl1694 1.0 0.86068 0.94402 0.70284 1.0000 + Cl Cl1695 1.0 0.81902 0.98568 0.70284 1.0000 + Cl Cl1696 1.0 0.77735 0.02735 0.70284 1.0000 + Cl Cl1697 1.0 0.73568 0.06902 0.70284 1.0000 + Cl Cl1698 1.0 0.69402 0.11068 0.70284 1.0000 + Cl Cl1699 1.0 0.65235 0.15235 0.70284 1.0000 + Cl Cl1700 1.0 0.61068 0.19402 0.70284 1.0000 + Cl Cl1701 1.0 0.56902 0.23568 0.70284 1.0000 + Cl Cl1702 1.0 0.52735 0.27735 0.70284 1.0000 + Cl Cl1703 1.0 0.48568 0.31902 0.70284 1.0000 + Cl Cl1704 1.0 0.44402 0.36068 0.70284 1.0000 + Cl Cl1705 1.0 0.94402 0.94402 0.70284 1.0000 + Cl Cl1706 1.0 0.90235 0.98568 0.70284 1.0000 + Cl Cl1707 1.0 0.86068 0.02735 0.70284 1.0000 + Cl Cl1708 1.0 0.81902 0.06902 0.70284 1.0000 + Cl Cl1709 1.0 0.77735 0.11068 0.70284 1.0000 + Cl Cl1710 1.0 0.73568 0.15235 0.70284 1.0000 + Cl Cl1711 1.0 0.69402 0.19402 0.70284 1.0000 + Cl Cl1712 1.0 0.65235 0.23568 0.70284 1.0000 + Cl Cl1713 1.0 0.61068 0.27735 0.70284 1.0000 + Cl Cl1714 1.0 0.56902 0.31902 0.70284 1.0000 + Cl Cl1715 1.0 0.52735 0.36068 0.70284 1.0000 + Cl Cl1716 1.0 0.48568 0.40235 0.70284 1.0000 + Cl Cl1717 1.0 0.98568 0.98568 0.70284 1.0000 + Cl Cl1718 1.0 0.94402 0.02735 0.70284 1.0000 + Cl Cl1719 1.0 0.90235 0.06902 0.70284 1.0000 + Cl Cl1720 1.0 0.86068 0.11068 0.70284 1.0000 + Cl Cl1721 1.0 0.81902 0.15235 0.70284 1.0000 + Cl Cl1722 1.0 0.77735 0.19402 0.70284 1.0000 + Cl Cl1723 1.0 0.73568 0.23568 0.70284 1.0000 + Cl Cl1724 1.0 0.69402 0.27735 0.70284 1.0000 + Cl Cl1725 1.0 0.65235 0.31902 0.70284 1.0000 + Cl Cl1726 1.0 0.61068 0.36068 0.70284 1.0000 + Cl Cl1727 1.0 0.56902 0.40235 0.70284 1.0000 + Cl Cl1728 1.0 0.52735 0.44402 0.70284 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4489_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-4489_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..bc11fa0fc5459aaf61ea1fee2fdeb0ace3e8d860 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4489_supercell_16x16x1.cif @@ -0,0 +1,2073 @@ +data_image0 +_chemical_formula_structural H768Pt256H768Pt256 +_chemical_formula_sum "H1536 Pt512" +_cell_length_a 98.8939 +_cell_length_b 57.0964 +_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 + H H1 1.0 0.98439 0.04683 0.50000 1.0000 + H H2 1.0 0.95314 0.07808 0.50000 1.0000 + H H3 1.0 0.92189 0.10933 0.50000 1.0000 + H H4 1.0 0.89064 0.14058 0.50000 1.0000 + H H5 1.0 0.85939 0.17183 0.50000 1.0000 + H 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1.0000 + H H666 1.0 0.98439 0.57817 0.50000 1.0000 + H H667 1.0 0.95314 0.60942 0.50000 1.0000 + H H668 1.0 0.92189 0.64067 0.50000 1.0000 + H H669 1.0 0.89064 0.67192 0.50000 1.0000 + H H670 1.0 0.85939 0.70317 0.50000 1.0000 + H H671 1.0 0.82814 0.73442 0.50000 1.0000 + H H672 1.0 0.79689 0.76567 0.50000 1.0000 + H H673 1.0 0.29689 0.32817 0.50000 1.0000 + H H674 1.0 0.26564 0.35942 0.50000 1.0000 + H H675 1.0 0.23439 0.39067 0.50000 1.0000 + H H676 1.0 0.20314 0.42192 0.50000 1.0000 + H H677 1.0 0.17189 0.45317 0.50000 1.0000 + H H678 1.0 0.14064 0.48442 0.50000 1.0000 + H H679 1.0 0.10939 0.51567 0.50000 1.0000 + H H680 1.0 0.07814 0.54692 0.50000 1.0000 + H H681 1.0 0.04689 0.57817 0.50000 1.0000 + H H682 1.0 0.01564 0.60942 0.50000 1.0000 + H H683 1.0 0.98439 0.64067 0.50000 1.0000 + H H684 1.0 0.95314 0.67192 0.50000 1.0000 + H H685 1.0 0.92189 0.70317 0.50000 1.0000 + H H686 1.0 0.89064 0.73442 0.50000 1.0000 + H H687 1.0 0.85939 0.76567 0.50000 1.0000 + H H688 1.0 0.82814 0.79692 0.50000 1.0000 + H H689 1.0 0.32814 0.35942 0.50000 1.0000 + H H690 1.0 0.29689 0.39067 0.50000 1.0000 + H H691 1.0 0.26564 0.42192 0.50000 1.0000 + H H692 1.0 0.23439 0.45317 0.50000 1.0000 + H H693 1.0 0.20314 0.48442 0.50000 1.0000 + H H694 1.0 0.17189 0.51567 0.50000 1.0000 + H H695 1.0 0.14064 0.54692 0.50000 1.0000 + H H696 1.0 0.10939 0.57817 0.50000 1.0000 + H H697 1.0 0.07814 0.60942 0.50000 1.0000 + H H698 1.0 0.04689 0.64067 0.50000 1.0000 + H H699 1.0 0.01564 0.67192 0.50000 1.0000 + H H700 1.0 0.98439 0.70317 0.50000 1.0000 + H H701 1.0 0.95314 0.73442 0.50000 1.0000 + H H702 1.0 0.92189 0.76567 0.50000 1.0000 + H H703 1.0 0.89064 0.79692 0.50000 1.0000 + H H704 1.0 0.85939 0.82817 0.50000 1.0000 + H H705 1.0 0.35939 0.39067 0.50000 1.0000 + H H706 1.0 0.32814 0.42192 0.50000 1.0000 + H H707 1.0 0.29689 0.45317 0.50000 1.0000 + H H708 1.0 0.26564 0.48442 0.50000 1.0000 + H H709 1.0 0.23439 0.51567 0.50000 1.0000 + H H710 1.0 0.20314 0.54692 0.50000 1.0000 + H H711 1.0 0.17189 0.57817 0.50000 1.0000 + H H712 1.0 0.14064 0.60942 0.50000 1.0000 + H H713 1.0 0.10939 0.64067 0.50000 1.0000 + H H714 1.0 0.07814 0.67192 0.50000 1.0000 + H H715 1.0 0.04689 0.70317 0.50000 1.0000 + H H716 1.0 0.01564 0.73442 0.50000 1.0000 + H H717 1.0 0.98439 0.76567 0.50000 1.0000 + H H718 1.0 0.95314 0.79692 0.50000 1.0000 + H H719 1.0 0.92189 0.82817 0.50000 1.0000 + H H720 1.0 0.89064 0.85942 0.50000 1.0000 + H H721 1.0 0.39064 0.42192 0.50000 1.0000 + H H722 1.0 0.35939 0.45317 0.50000 1.0000 + H H723 1.0 0.32814 0.48442 0.50000 1.0000 + H H724 1.0 0.29689 0.51567 0.50000 1.0000 + H H725 1.0 0.26564 0.54692 0.50000 1.0000 + H H726 1.0 0.23439 0.57817 0.50000 1.0000 + H H727 1.0 0.20314 0.60942 0.50000 1.0000 + H H728 1.0 0.17189 0.64067 0.50000 1.0000 + H H729 1.0 0.14064 0.67192 0.50000 1.0000 + H H730 1.0 0.10939 0.70317 0.50000 1.0000 + H H731 1.0 0.07814 0.73442 0.50000 1.0000 + H H732 1.0 0.04689 0.76567 0.50000 1.0000 + H H733 1.0 0.01564 0.79692 0.50000 1.0000 + H H734 1.0 0.98439 0.82817 0.50000 1.0000 + H H735 1.0 0.95314 0.85942 0.50000 1.0000 + H H736 1.0 0.92189 0.89067 0.50000 1.0000 + H H737 1.0 0.42189 0.45317 0.50000 1.0000 + H H738 1.0 0.39064 0.48442 0.50000 1.0000 + H H739 1.0 0.35939 0.51567 0.50000 1.0000 + H H740 1.0 0.32814 0.54692 0.50000 1.0000 + H H741 1.0 0.29689 0.57817 0.50000 1.0000 + H H742 1.0 0.26564 0.60942 0.50000 1.0000 + H H743 1.0 0.23439 0.64067 0.50000 1.0000 + H H744 1.0 0.20314 0.67192 0.50000 1.0000 + H H745 1.0 0.17189 0.70317 0.50000 1.0000 + H H746 1.0 0.14064 0.73442 0.50000 1.0000 + H H747 1.0 0.10939 0.76567 0.50000 1.0000 + H H748 1.0 0.07814 0.79692 0.50000 1.0000 + H H749 1.0 0.04689 0.82817 0.50000 1.0000 + H H750 1.0 0.01564 0.85942 0.50000 1.0000 + H H751 1.0 0.98439 0.89067 0.50000 1.0000 + H H752 1.0 0.95314 0.92192 0.50000 1.0000 + H H753 1.0 0.45314 0.48442 0.50000 1.0000 + H H754 1.0 0.42189 0.51567 0.50000 1.0000 + H H755 1.0 0.39064 0.54692 0.50000 1.0000 + H H756 1.0 0.35939 0.57817 0.50000 1.0000 + H H757 1.0 0.32814 0.60942 0.50000 1.0000 + H H758 1.0 0.29689 0.64067 0.50000 1.0000 + H H759 1.0 0.26564 0.67192 0.50000 1.0000 + H H760 1.0 0.23439 0.70317 0.50000 1.0000 + H H761 1.0 0.20314 0.73442 0.50000 1.0000 + H H762 1.0 0.17189 0.76567 0.50000 1.0000 + H H763 1.0 0.14064 0.79692 0.50000 1.0000 + H H764 1.0 0.10939 0.82817 0.50000 1.0000 + H H765 1.0 0.07814 0.85942 0.50000 1.0000 + H H766 1.0 0.04689 0.89067 0.50000 1.0000 + H H767 1.0 0.01564 0.92192 0.50000 1.0000 + H H768 1.0 0.98439 0.95317 0.50000 1.0000 + Pt Pt1 1.0 0.00000 0.00000 0.50000 1.0000 + Pt Pt2 1.0 0.46875 0.53125 0.50000 1.0000 + Pt Pt3 1.0 0.43750 0.56250 0.50000 1.0000 + Pt Pt4 1.0 0.40625 0.59375 0.50000 1.0000 + Pt Pt5 1.0 0.37500 0.62500 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 0.25000 0.75000 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 0.06250 0.93750 0.50000 1.0000 + Pt Pt16 1.0 0.03125 0.96875 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 1.0 0.06250 0.12500 0.50000 1.0000 + Pt Pt51 1.0 0.03125 0.15625 0.50000 1.0000 + Pt Pt52 1.0 0.00000 0.18750 0.50000 1.0000 + Pt Pt53 1.0 0.96875 0.21875 0.50000 1.0000 + Pt Pt54 1.0 0.93750 0.25000 0.50000 1.0000 + Pt Pt55 1.0 0.90625 0.28125 0.50000 1.0000 + Pt Pt56 1.0 0.87500 0.31250 0.50000 1.0000 + Pt Pt57 1.0 0.84375 0.34375 0.50000 1.0000 + Pt Pt58 1.0 0.81250 0.37500 0.50000 1.0000 + Pt Pt59 1.0 0.78125 0.40625 0.50000 1.0000 + Pt Pt60 1.0 0.75000 0.43750 0.50000 1.0000 + Pt Pt61 1.0 0.71875 0.46875 0.50000 1.0000 + Pt Pt62 1.0 0.68750 0.50000 0.50000 1.0000 + Pt Pt63 1.0 0.65625 0.53125 0.50000 1.0000 + Pt Pt64 1.0 0.62500 0.56250 0.50000 1.0000 + Pt Pt65 1.0 0.12500 0.12500 0.50000 1.0000 + Pt Pt66 1.0 0.09375 0.15625 0.50000 1.0000 + Pt Pt67 1.0 0.06250 0.18750 0.50000 1.0000 + Pt Pt68 1.0 0.03125 0.21875 0.50000 1.0000 + Pt Pt69 1.0 0.00000 0.25000 0.50000 1.0000 + Pt Pt70 1.0 0.96875 0.28125 0.50000 1.0000 + Pt Pt71 1.0 0.93750 0.31250 0.50000 1.0000 + Pt Pt72 1.0 0.90625 0.34375 0.50000 1.0000 + Pt Pt73 1.0 0.87500 0.37500 0.50000 1.0000 + Pt Pt74 1.0 0.84375 0.40625 0.50000 1.0000 + Pt Pt75 1.0 0.81250 0.43750 0.50000 1.0000 + Pt Pt76 1.0 0.78125 0.46875 0.50000 1.0000 + Pt Pt77 1.0 0.75000 0.50000 0.50000 1.0000 + Pt Pt78 1.0 0.71875 0.53125 0.50000 1.0000 + Pt Pt79 1.0 0.68750 0.56250 0.50000 1.0000 + Pt Pt80 1.0 0.65625 0.59375 0.50000 1.0000 + Pt Pt81 1.0 0.15625 0.15625 0.50000 1.0000 + Pt Pt82 1.0 0.12500 0.18750 0.50000 1.0000 + Pt Pt83 1.0 0.09375 0.21875 0.50000 1.0000 + Pt Pt84 1.0 0.06250 0.25000 0.50000 1.0000 + Pt Pt85 1.0 0.03125 0.28125 0.50000 1.0000 + Pt Pt86 1.0 0.00000 0.31250 0.50000 1.0000 + Pt Pt87 1.0 0.96875 0.34375 0.50000 1.0000 + Pt Pt88 1.0 0.93750 0.37500 0.50000 1.0000 + Pt Pt89 1.0 0.90625 0.40625 0.50000 1.0000 + Pt Pt90 1.0 0.87500 0.43750 0.50000 1.0000 + Pt Pt91 1.0 0.84375 0.46875 0.50000 1.0000 + Pt Pt92 1.0 0.81250 0.50000 0.50000 1.0000 + Pt Pt93 1.0 0.78125 0.53125 0.50000 1.0000 + Pt Pt94 1.0 0.75000 0.56250 0.50000 1.0000 + Pt Pt95 1.0 0.71875 0.59375 0.50000 1.0000 + Pt Pt96 1.0 0.68750 0.62500 0.50000 1.0000 + Pt Pt97 1.0 0.18750 0.18750 0.50000 1.0000 + Pt Pt98 1.0 0.15625 0.21875 0.50000 1.0000 + Pt Pt99 1.0 0.12500 0.25000 0.50000 1.0000 + Pt Pt100 1.0 0.09375 0.28125 0.50000 1.0000 + Pt Pt101 1.0 0.06250 0.31250 0.50000 1.0000 + Pt Pt102 1.0 0.03125 0.34375 0.50000 1.0000 + Pt Pt103 1.0 0.00000 0.37500 0.50000 1.0000 + Pt Pt104 1.0 0.96875 0.40625 0.50000 1.0000 + Pt Pt105 1.0 0.93750 0.43750 0.50000 1.0000 + Pt Pt106 1.0 0.90625 0.46875 0.50000 1.0000 + Pt Pt107 1.0 0.87500 0.50000 0.50000 1.0000 + Pt Pt108 1.0 0.84375 0.53125 0.50000 1.0000 + Pt Pt109 1.0 0.81250 0.56250 0.50000 1.0000 + Pt Pt110 1.0 0.78125 0.59375 0.50000 1.0000 + Pt Pt111 1.0 0.75000 0.62500 0.50000 1.0000 + Pt Pt112 1.0 0.71875 0.65625 0.50000 1.0000 + Pt Pt113 1.0 0.21875 0.21875 0.50000 1.0000 + Pt Pt114 1.0 0.18750 0.25000 0.50000 1.0000 + Pt Pt115 1.0 0.15625 0.28125 0.50000 1.0000 + Pt Pt116 1.0 0.12500 0.31250 0.50000 1.0000 + Pt Pt117 1.0 0.09375 0.34375 0.50000 1.0000 + Pt Pt118 1.0 0.06250 0.37500 0.50000 1.0000 + Pt Pt119 1.0 0.03125 0.40625 0.50000 1.0000 + Pt Pt120 1.0 0.00000 0.43750 0.50000 1.0000 + Pt Pt121 1.0 0.96875 0.46875 0.50000 1.0000 + Pt Pt122 1.0 0.93750 0.50000 0.50000 1.0000 + Pt Pt123 1.0 0.90625 0.53125 0.50000 1.0000 + Pt Pt124 1.0 0.87500 0.56250 0.50000 1.0000 + Pt Pt125 1.0 0.84375 0.59375 0.50000 1.0000 + Pt Pt126 1.0 0.81250 0.62500 0.50000 1.0000 + Pt Pt127 1.0 0.78125 0.65625 0.50000 1.0000 + Pt Pt128 1.0 0.75000 0.68750 0.50000 1.0000 + Pt Pt129 1.0 0.25000 0.25000 0.50000 1.0000 + Pt Pt130 1.0 0.21875 0.28125 0.50000 1.0000 + Pt Pt131 1.0 0.18750 0.31250 0.50000 1.0000 + Pt Pt132 1.0 0.15625 0.34375 0.50000 1.0000 + Pt Pt133 1.0 0.12500 0.37500 0.50000 1.0000 + Pt Pt134 1.0 0.09375 0.40625 0.50000 1.0000 + Pt Pt135 1.0 0.06250 0.43750 0.50000 1.0000 + Pt Pt136 1.0 0.03125 0.46875 0.50000 1.0000 + Pt Pt137 1.0 0.00000 0.50000 0.50000 1.0000 + Pt Pt138 1.0 0.96875 0.53125 0.50000 1.0000 + Pt Pt139 1.0 0.93750 0.56250 0.50000 1.0000 + Pt Pt140 1.0 0.90625 0.59375 0.50000 1.0000 + Pt Pt141 1.0 0.87500 0.62500 0.50000 1.0000 + Pt Pt142 1.0 0.84375 0.65625 0.50000 1.0000 + Pt Pt143 1.0 0.81250 0.68750 0.50000 1.0000 + Pt Pt144 1.0 0.78125 0.71875 0.50000 1.0000 + Pt Pt145 1.0 0.28125 0.28125 0.50000 1.0000 + Pt Pt146 1.0 0.25000 0.31250 0.50000 1.0000 + Pt Pt147 1.0 0.21875 0.34375 0.50000 1.0000 + Pt Pt148 1.0 0.18750 0.37500 0.50000 1.0000 + Pt Pt149 1.0 0.15625 0.40625 0.50000 1.0000 + Pt Pt150 1.0 0.12500 0.43750 0.50000 1.0000 + Pt Pt151 1.0 0.09375 0.46875 0.50000 1.0000 + Pt Pt152 1.0 0.06250 0.50000 0.50000 1.0000 + Pt Pt153 1.0 0.03125 0.53125 0.50000 1.0000 + Pt Pt154 1.0 0.00000 0.56250 0.50000 1.0000 + Pt Pt155 1.0 0.96875 0.59375 0.50000 1.0000 + Pt Pt156 1.0 0.93750 0.62500 0.50000 1.0000 + Pt Pt157 1.0 0.90625 0.65625 0.50000 1.0000 + Pt Pt158 1.0 0.87500 0.68750 0.50000 1.0000 + Pt Pt159 1.0 0.84375 0.71875 0.50000 1.0000 + Pt Pt160 1.0 0.81250 0.75000 0.50000 1.0000 + Pt Pt161 1.0 0.31250 0.31250 0.50000 1.0000 + Pt Pt162 1.0 0.28125 0.34375 0.50000 1.0000 + Pt Pt163 1.0 0.25000 0.37500 0.50000 1.0000 + Pt Pt164 1.0 0.21875 0.40625 0.50000 1.0000 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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 1.00000 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 1.00000 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 0.62500 0.18750 0.50000 1.0000 + Pt Pt475 1.0 0.59375 0.21875 0.50000 1.0000 + Pt Pt476 1.0 0.56250 0.25000 0.50000 1.0000 + Pt Pt477 1.0 0.53125 0.28125 0.50000 1.0000 + Pt Pt478 1.0 0.50000 0.31250 0.50000 1.0000 + Pt Pt479 1.0 0.46875 0.34375 0.50000 1.0000 + Pt Pt480 1.0 0.43750 0.37500 0.50000 1.0000 + Pt Pt481 1.0 0.93750 0.93750 0.50000 1.0000 + Pt Pt482 1.0 0.90625 0.96875 0.50000 1.0000 + Pt Pt483 1.0 0.87500 1.00000 0.50000 1.0000 + Pt Pt484 1.0 0.84375 0.03125 0.50000 1.0000 + Pt Pt485 1.0 0.81250 0.06250 0.50000 1.0000 + Pt Pt486 1.0 0.78125 0.09375 0.50000 1.0000 + Pt Pt487 1.0 0.75000 0.12500 0.50000 1.0000 + Pt Pt488 1.0 0.71875 0.15625 0.50000 1.0000 + Pt Pt489 1.0 0.68750 0.18750 0.50000 1.0000 + Pt Pt490 1.0 0.65625 0.21875 0.50000 1.0000 + Pt Pt491 1.0 0.62500 0.25000 0.50000 1.0000 + Pt Pt492 1.0 0.59375 0.28125 0.50000 1.0000 + Pt Pt493 1.0 0.56250 0.31250 0.50000 1.0000 + Pt Pt494 1.0 0.53125 0.34375 0.50000 1.0000 + Pt Pt495 1.0 0.50000 0.37500 0.50000 1.0000 + Pt Pt496 1.0 0.46875 0.40625 0.50000 1.0000 + Pt Pt497 1.0 0.96875 0.96875 0.50000 1.0000 + Pt Pt498 1.0 0.93750 0.00000 0.50000 1.0000 + Pt Pt499 1.0 0.90625 0.03125 0.50000 1.0000 + Pt Pt500 1.0 0.87500 0.06250 0.50000 1.0000 + Pt Pt501 1.0 0.84375 0.09375 0.50000 1.0000 + Pt Pt502 1.0 0.81250 0.12500 0.50000 1.0000 + Pt Pt503 1.0 0.78125 0.15625 0.50000 1.0000 + Pt Pt504 1.0 0.75000 0.18750 0.50000 1.0000 + Pt Pt505 1.0 0.71875 0.21875 0.50000 1.0000 + Pt Pt506 1.0 0.68750 0.25000 0.50000 1.0000 + Pt Pt507 1.0 0.65625 0.28125 0.50000 1.0000 + Pt Pt508 1.0 0.62500 0.31250 0.50000 1.0000 + Pt Pt509 1.0 0.59375 0.34375 0.50000 1.0000 + Pt Pt510 1.0 0.56250 0.37500 0.50000 1.0000 + Pt Pt511 1.0 0.53125 0.40625 0.50000 1.0000 + Pt Pt512 1.0 0.50000 0.43750 0.50000 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-4492_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-4492_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..a15132708631b57195180a6229b4f326e7ac2862 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-4492_supercell_12x12x1.cif @@ -0,0 +1,1753 @@ +data_image0 +_chemical_formula_structural Bi576O1152 +_chemical_formula_sum "Bi576 O1152" +_cell_length_a 74.2808 +_cell_length_b 83.7831 +_cell_length_c 6.31512 +_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 + Bi Bi1 1.0 0.04235 0.02099 0.54855 1.0000 + Bi Bi2 1.0 0.04235 0.10432 0.54855 1.0000 + Bi Bi3 1.0 0.04235 0.18765 0.54855 1.0000 + Bi Bi4 1.0 0.04235 0.27099 0.54855 1.0000 + Bi Bi5 1.0 0.04235 0.35432 0.54855 1.0000 + Bi Bi6 1.0 0.04235 0.43765 0.54855 1.0000 + Bi Bi7 1.0 0.04235 0.52099 0.54855 1.0000 + Bi Bi8 1.0 0.04235 0.60432 0.54855 1.0000 + Bi Bi9 1.0 0.04235 0.68765 0.54855 1.0000 + Bi Bi10 1.0 0.04235 0.77099 0.54855 1.0000 + Bi Bi11 1.0 0.04235 0.85432 0.54855 1.0000 + Bi Bi12 1.0 0.04235 0.93765 0.54855 1.0000 + Bi Bi13 1.0 0.12568 0.02099 0.54855 1.0000 + Bi Bi14 1.0 0.12568 0.10432 0.54855 1.0000 + Bi Bi15 1.0 0.12568 0.18765 0.54855 1.0000 + Bi Bi16 1.0 0.12568 0.27099 0.54855 1.0000 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+_chemical_formula_sum "Cu256 O512" +_cell_length_a 38.4516 +_cell_length_b 104.63 +_cell_length_c 4.00024 +_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 0.03125 0.06249 0.50000 1.0000 + Cu Cu2 1.0 0.03125 0.12499 0.50000 1.0000 + Cu Cu3 1.0 0.03125 0.18749 0.50000 1.0000 + Cu Cu4 1.0 0.03125 0.24999 0.50000 1.0000 + Cu Cu5 1.0 0.03125 0.31249 0.50000 1.0000 + Cu Cu6 1.0 0.03125 0.37499 0.50000 1.0000 + Cu Cu7 1.0 0.03125 0.43749 0.50000 1.0000 + Cu Cu8 1.0 0.03125 0.49999 0.50000 1.0000 + Cu Cu9 1.0 0.03125 0.56249 0.50000 1.0000 + Cu Cu10 1.0 0.03125 0.62499 0.50000 1.0000 + Cu Cu11 1.0 0.03125 0.68749 0.50000 1.0000 + Cu Cu12 1.0 0.03125 0.74999 0.50000 1.0000 + Cu Cu13 1.0 0.03125 0.81249 0.50000 1.0000 + Cu Cu14 1.0 0.03125 0.87499 0.50000 1.0000 + Cu Cu15 1.0 0.03125 0.93749 0.50000 1.0000 + Cu Cu16 1.0 0.03125 0.99999 0.50000 1.0000 + Cu Cu17 1.0 0.09375 0.06249 0.50000 1.0000 + Cu Cu18 1.0 0.09375 0.12499 0.50000 1.0000 + Cu Cu19 1.0 0.09375 0.18749 0.50000 1.0000 + Cu Cu20 1.0 0.09375 0.24999 0.50000 1.0000 + Cu Cu21 1.0 0.09375 0.31249 0.50000 1.0000 + Cu Cu22 1.0 0.09375 0.37499 0.50000 1.0000 + Cu Cu23 1.0 0.09375 0.43749 0.50000 1.0000 + Cu Cu24 1.0 0.09375 0.49999 0.50000 1.0000 + Cu Cu25 1.0 0.09375 0.56249 0.50000 1.0000 + Cu Cu26 1.0 0.09375 0.62499 0.50000 1.0000 + Cu Cu27 1.0 0.09375 0.68749 0.50000 1.0000 + Cu Cu28 1.0 0.09375 0.74999 0.50000 1.0000 + Cu Cu29 1.0 0.09375 0.81249 0.50000 1.0000 + Cu Cu30 1.0 0.09375 0.87499 0.50000 1.0000 + Cu Cu31 1.0 0.09375 0.93749 0.50000 1.0000 + Cu Cu32 1.0 0.09375 0.99999 0.50000 1.0000 + Cu Cu33 1.0 0.15625 0.06249 0.50000 1.0000 + Cu Cu34 1.0 0.15625 0.12499 0.50000 1.0000 + Cu Cu35 1.0 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1.00000 0.62500 0.67324 1.0000 + Pd Pd9 1.0 1.00000 0.70833 0.67324 1.0000 + Pd Pd10 1.0 1.00000 0.79167 0.67324 1.0000 + Pd Pd11 1.0 1.00000 0.87500 0.67324 1.0000 + Pd Pd12 1.0 1.00000 0.95833 0.67324 1.0000 + Pd Pd13 1.0 0.08333 0.04167 0.67324 1.0000 + Pd Pd14 1.0 0.08333 0.12500 0.67324 1.0000 + Pd Pd15 1.0 0.08333 0.20833 0.67324 1.0000 + Pd Pd16 1.0 0.08333 0.29167 0.67324 1.0000 + Pd Pd17 1.0 0.08333 0.37500 0.67324 1.0000 + Pd Pd18 1.0 0.08333 0.45833 0.67324 1.0000 + Pd Pd19 1.0 0.08333 0.54167 0.67324 1.0000 + Pd Pd20 1.0 0.08333 0.62500 0.67324 1.0000 + Pd Pd21 1.0 0.08333 0.70833 0.67324 1.0000 + Pd Pd22 1.0 0.08333 0.79167 0.67324 1.0000 + Pd Pd23 1.0 0.08333 0.87500 0.67324 1.0000 + Pd Pd24 1.0 0.08333 0.95833 0.67324 1.0000 + Pd Pd25 1.0 0.16667 0.04167 0.67324 1.0000 + Pd Pd26 1.0 0.16667 0.12500 0.67324 1.0000 + Pd Pd27 1.0 0.16667 0.20833 0.67324 1.0000 + Pd Pd28 1.0 0.16667 0.29167 0.67324 1.0000 + Pd Pd29 1.0 0.16667 0.37500 0.67324 1.0000 + Pd Pd30 1.0 0.16667 0.45833 0.67324 1.0000 + Pd Pd31 1.0 0.16667 0.54167 0.67324 1.0000 + Pd Pd32 1.0 0.16667 0.62500 0.67324 1.0000 + Pd Pd33 1.0 0.16667 0.70833 0.67324 1.0000 + Pd Pd34 1.0 0.16667 0.79167 0.67324 1.0000 + Pd Pd35 1.0 0.16667 0.87500 0.67324 1.0000 + Pd Pd36 1.0 0.16667 0.95833 0.67324 1.0000 + Pd Pd37 1.0 0.25000 0.04167 0.67324 1.0000 + Pd Pd38 1.0 0.25000 0.12500 0.67324 1.0000 + Pd Pd39 1.0 0.25000 0.20833 0.67324 1.0000 + Pd Pd40 1.0 0.25000 0.29167 0.67324 1.0000 + Pd Pd41 1.0 0.25000 0.37500 0.67324 1.0000 + Pd Pd42 1.0 0.25000 0.45833 0.67324 1.0000 + Pd Pd43 1.0 0.25000 0.54167 0.67324 1.0000 + Pd Pd44 1.0 0.25000 0.62500 0.67324 1.0000 + Pd Pd45 1.0 0.25000 0.70833 0.67324 1.0000 + Pd Pd46 1.0 0.25000 0.79167 0.67324 1.0000 + Pd Pd47 1.0 0.25000 0.87500 0.67324 1.0000 + Pd Pd48 1.0 0.25000 0.95833 0.67324 1.0000 + Pd Pd49 1.0 0.33333 0.04167 0.67324 1.0000 + Pd Pd50 1.0 0.33333 0.12500 0.67324 1.0000 + Pd Pd51 1.0 0.33333 0.20833 0.67324 1.0000 + Pd Pd52 1.0 0.33333 0.29167 0.67324 1.0000 + Pd Pd53 1.0 0.33333 0.37500 0.67324 1.0000 + Pd Pd54 1.0 0.33333 0.45833 0.67324 1.0000 + Pd Pd55 1.0 0.33333 0.54167 0.67324 1.0000 + Pd Pd56 1.0 0.33333 0.62500 0.67324 1.0000 + Pd Pd57 1.0 0.33333 0.70833 0.67324 1.0000 + Pd Pd58 1.0 0.33333 0.79167 0.67324 1.0000 + Pd Pd59 1.0 0.33333 0.87500 0.67324 1.0000 + Pd Pd60 1.0 0.33333 0.95833 0.67324 1.0000 + Pd Pd61 1.0 0.41667 0.04167 0.67324 1.0000 + Pd Pd62 1.0 0.41667 0.12500 0.67324 1.0000 + Pd Pd63 1.0 0.41667 0.20833 0.67324 1.0000 + Pd Pd64 1.0 0.41667 0.29167 0.67324 1.0000 + Pd Pd65 1.0 0.41667 0.37500 0.67324 1.0000 + Pd Pd66 1.0 0.41667 0.45833 0.67324 1.0000 + Pd Pd67 1.0 0.41667 0.54167 0.67324 1.0000 + Pd Pd68 1.0 0.41667 0.62500 0.67324 1.0000 + Pd Pd69 1.0 0.41667 0.70833 0.67324 1.0000 + Pd Pd70 1.0 0.41667 0.79167 0.67324 1.0000 + Pd Pd71 1.0 0.41667 0.87500 0.67324 1.0000 + Pd Pd72 1.0 0.41667 0.95833 0.67324 1.0000 + Pd Pd73 1.0 0.50000 0.04167 0.67324 1.0000 + Pd Pd74 1.0 0.50000 0.12500 0.67324 1.0000 + Pd Pd75 1.0 0.50000 0.20833 0.67324 1.0000 + Pd Pd76 1.0 0.50000 0.29167 0.67324 1.0000 + Pd Pd77 1.0 0.50000 0.37500 0.67324 1.0000 + Pd Pd78 1.0 0.50000 0.45833 0.67324 1.0000 + Pd Pd79 1.0 0.50000 0.54167 0.67324 1.0000 + Pd Pd80 1.0 0.50000 0.62500 0.67324 1.0000 + Pd Pd81 1.0 0.50000 0.70833 0.67324 1.0000 + Pd Pd82 1.0 0.50000 0.79167 0.67324 1.0000 + Pd Pd83 1.0 0.50000 0.87500 0.67324 1.0000 + Pd Pd84 1.0 0.50000 0.95833 0.67324 1.0000 + Pd Pd85 1.0 0.58333 0.04167 0.67324 1.0000 + Pd Pd86 1.0 0.58333 0.12500 0.67324 1.0000 + Pd Pd87 1.0 0.58333 0.20833 0.67324 1.0000 + Pd Pd88 1.0 0.58333 0.29167 0.67324 1.0000 + Pd Pd89 1.0 0.58333 0.37500 0.67324 1.0000 + Pd Pd90 1.0 0.58333 0.45833 0.67324 1.0000 + Pd Pd91 1.0 0.58333 0.54167 0.67324 1.0000 + Pd Pd92 1.0 0.58333 0.62500 0.67324 1.0000 + Pd Pd93 1.0 0.58333 0.70833 0.67324 1.0000 + Pd Pd94 1.0 0.58333 0.79167 0.67324 1.0000 + Pd Pd95 1.0 0.58333 0.87500 0.67324 1.0000 + Pd Pd96 1.0 0.58333 0.95833 0.67324 1.0000 + Pd Pd97 1.0 0.66667 0.04167 0.67324 1.0000 + Pd Pd98 1.0 0.66667 0.12500 0.67324 1.0000 + Pd Pd99 1.0 0.66667 0.20833 0.67324 1.0000 + Pd Pd100 1.0 0.66667 0.29167 0.67324 1.0000 + Pd Pd101 1.0 0.66667 0.37500 0.67324 1.0000 + Pd Pd102 1.0 0.66667 0.45833 0.67324 1.0000 + Pd Pd103 1.0 0.66667 0.54167 0.67324 1.0000 + Pd Pd104 1.0 0.66667 0.62500 0.67324 1.0000 + Pd Pd105 1.0 0.66667 0.70833 0.67324 1.0000 + Pd Pd106 1.0 0.66667 0.79167 0.67324 1.0000 + Pd Pd107 1.0 0.66667 0.87500 0.67324 1.0000 + Pd Pd108 1.0 0.66667 0.95833 0.67324 1.0000 + Pd Pd109 1.0 0.75000 0.04167 0.67324 1.0000 + Pd Pd110 1.0 0.75000 0.12500 0.67324 1.0000 + Pd Pd111 1.0 0.75000 0.20833 0.67324 1.0000 + Pd Pd112 1.0 0.75000 0.29167 0.67324 1.0000 + Pd Pd113 1.0 0.75000 0.37500 0.67324 1.0000 + Pd Pd114 1.0 0.75000 0.45833 0.67324 1.0000 + Pd Pd115 1.0 0.75000 0.54167 0.67324 1.0000 + Pd Pd116 1.0 0.75000 0.62500 0.67324 1.0000 + Pd Pd117 1.0 0.75000 0.70833 0.67324 1.0000 + Pd Pd118 1.0 0.75000 0.79167 0.67324 1.0000 + Pd Pd119 1.0 0.75000 0.87500 0.67324 1.0000 + Pd Pd120 1.0 0.75000 0.95833 0.67324 1.0000 + Pd Pd121 1.0 0.83333 0.04167 0.67324 1.0000 + Pd Pd122 1.0 0.83333 0.12500 0.67324 1.0000 + Pd Pd123 1.0 0.83333 0.20833 0.67324 1.0000 + Pd Pd124 1.0 0.83333 0.29167 0.67324 1.0000 + Pd Pd125 1.0 0.83333 0.37500 0.67324 1.0000 + Pd Pd126 1.0 0.83333 0.45833 0.67324 1.0000 + Pd Pd127 1.0 0.83333 0.54167 0.67324 1.0000 + Pd Pd128 1.0 0.83333 0.62500 0.67324 1.0000 + Pd Pd129 1.0 0.83333 0.70833 0.67324 1.0000 + Pd Pd130 1.0 0.83333 0.79167 0.67324 1.0000 + Pd Pd131 1.0 0.83333 0.87500 0.67324 1.0000 + Pd Pd132 1.0 0.83333 0.95833 0.67324 1.0000 + Pd Pd133 1.0 0.91667 0.04167 0.67324 1.0000 + Pd Pd134 1.0 0.91667 0.12500 0.67324 1.0000 + Pd Pd135 1.0 0.91667 0.20833 0.67324 1.0000 + Pd Pd136 1.0 0.91667 0.29167 0.67324 1.0000 + Pd Pd137 1.0 0.91667 0.37500 0.67324 1.0000 + Pd Pd138 1.0 0.91667 0.45833 0.67324 1.0000 + Pd Pd139 1.0 0.91667 0.54167 0.67324 1.0000 + Pd Pd140 1.0 0.91667 0.62500 0.67324 1.0000 + Pd Pd141 1.0 0.91667 0.70833 0.67324 1.0000 + Pd Pd142 1.0 0.91667 0.79167 0.67324 1.0000 + Pd Pd143 1.0 0.91667 0.87500 0.67324 1.0000 + Pd Pd144 1.0 0.91667 0.95833 0.67324 1.0000 + Pd Pd145 1.0 0.04167 0.00000 0.32676 1.0000 + Pd Pd146 1.0 0.04167 0.08333 0.32676 1.0000 + Pd Pd147 1.0 0.04167 0.16667 0.32676 1.0000 + Pd Pd148 1.0 0.04167 0.25000 0.32676 1.0000 + Pd Pd149 1.0 0.04167 0.33333 0.32676 1.0000 + Pd Pd150 1.0 0.04167 0.41667 0.32676 1.0000 + Pd Pd151 1.0 0.04167 0.50000 0.32676 1.0000 + Pd Pd152 1.0 0.04167 0.58333 0.32676 1.0000 + Pd Pd153 1.0 0.04167 0.66667 0.32676 1.0000 + Pd Pd154 1.0 0.04167 0.75000 0.32676 1.0000 + Pd Pd155 1.0 0.04167 0.83333 0.32676 1.0000 + Pd Pd156 1.0 0.04167 0.91667 0.32676 1.0000 + Pd Pd157 1.0 0.12500 0.00000 0.32676 1.0000 + Pd Pd158 1.0 0.12500 0.08333 0.32676 1.0000 + Pd Pd159 1.0 0.12500 0.16667 0.32676 1.0000 + Pd Pd160 1.0 0.12500 0.25000 0.32676 1.0000 + Pd Pd161 1.0 0.12500 0.33333 0.32676 1.0000 + Pd Pd162 1.0 0.12500 0.41667 0.32676 1.0000 + Pd Pd163 1.0 0.12500 0.50000 0.32676 1.0000 + Pd Pd164 1.0 0.12500 0.58333 0.32676 1.0000 + Pd Pd165 1.0 0.12500 0.66667 0.32676 1.0000 + Pd Pd166 1.0 0.12500 0.75000 0.32676 1.0000 + Pd Pd167 1.0 0.12500 0.83333 0.32676 1.0000 + Pd Pd168 1.0 0.12500 0.91667 0.32676 1.0000 + Pd Pd169 1.0 0.20833 0.00000 0.32676 1.0000 + Pd Pd170 1.0 0.20833 0.08333 0.32676 1.0000 + Pd Pd171 1.0 0.20833 0.16667 0.32676 1.0000 + Pd Pd172 1.0 0.20833 0.25000 0.32676 1.0000 + Pd Pd173 1.0 0.20833 0.33333 0.32676 1.0000 + Pd Pd174 1.0 0.20833 0.41667 0.32676 1.0000 + Pd Pd175 1.0 0.20833 0.50000 0.32676 1.0000 + Pd Pd176 1.0 0.20833 0.58333 0.32676 1.0000 + Pd Pd177 1.0 0.20833 0.66667 0.32676 1.0000 + Pd Pd178 1.0 0.20833 0.75000 0.32676 1.0000 + Pd Pd179 1.0 0.20833 0.83333 0.32676 1.0000 + Pd Pd180 1.0 0.20833 0.91667 0.32676 1.0000 + Pd Pd181 1.0 0.29167 0.00000 0.32676 1.0000 + Pd Pd182 1.0 0.29167 0.08333 0.32676 1.0000 + Pd Pd183 1.0 0.29167 0.16667 0.32676 1.0000 + Pd Pd184 1.0 0.29167 0.25000 0.32676 1.0000 + Pd Pd185 1.0 0.29167 0.33333 0.32676 1.0000 + Pd Pd186 1.0 0.29167 0.41667 0.32676 1.0000 + Pd Pd187 1.0 0.29167 0.50000 0.32676 1.0000 + Pd Pd188 1.0 0.29167 0.58333 0.32676 1.0000 + Pd Pd189 1.0 0.29167 0.66667 0.32676 1.0000 + Pd Pd190 1.0 0.29167 0.75000 0.32676 1.0000 + Pd Pd191 1.0 0.29167 0.83333 0.32676 1.0000 + Pd Pd192 1.0 0.29167 0.91667 0.32676 1.0000 + Pd Pd193 1.0 0.37500 0.00000 0.32676 1.0000 + Pd Pd194 1.0 0.37500 0.08333 0.32676 1.0000 + Pd Pd195 1.0 0.37500 0.16667 0.32676 1.0000 + Pd Pd196 1.0 0.37500 0.25000 0.32676 1.0000 + Pd Pd197 1.0 0.37500 0.33333 0.32676 1.0000 + Pd Pd198 1.0 0.37500 0.41667 0.32676 1.0000 + Pd Pd199 1.0 0.37500 0.50000 0.32676 1.0000 + Pd Pd200 1.0 0.37500 0.58333 0.32676 1.0000 + Pd Pd201 1.0 0.37500 0.66667 0.32676 1.0000 + Pd Pd202 1.0 0.37500 0.75000 0.32676 1.0000 + Pd Pd203 1.0 0.37500 0.83333 0.32676 1.0000 + Pd Pd204 1.0 0.37500 0.91667 0.32676 1.0000 + Pd Pd205 1.0 0.45833 0.00000 0.32676 1.0000 + Pd Pd206 1.0 0.45833 0.08333 0.32676 1.0000 + Pd Pd207 1.0 0.45833 0.16667 0.32676 1.0000 + Pd Pd208 1.0 0.45833 0.25000 0.32676 1.0000 + Pd Pd209 1.0 0.45833 0.33333 0.32676 1.0000 + Pd Pd210 1.0 0.45833 0.41667 0.32676 1.0000 + Pd Pd211 1.0 0.45833 0.50000 0.32676 1.0000 + Pd Pd212 1.0 0.45833 0.58333 0.32676 1.0000 + Pd Pd213 1.0 0.45833 0.66667 0.32676 1.0000 + Pd Pd214 1.0 0.45833 0.75000 0.32676 1.0000 + Pd Pd215 1.0 0.45833 0.83333 0.32676 1.0000 + Pd Pd216 1.0 0.45833 0.91667 0.32676 1.0000 + Pd Pd217 1.0 0.54167 0.00000 0.32676 1.0000 + Pd Pd218 1.0 0.54167 0.08333 0.32676 1.0000 + Pd Pd219 1.0 0.54167 0.16667 0.32676 1.0000 + Pd Pd220 1.0 0.54167 0.25000 0.32676 1.0000 + Pd Pd221 1.0 0.54167 0.33333 0.32676 1.0000 + Pd Pd222 1.0 0.54167 0.41667 0.32676 1.0000 + Pd Pd223 1.0 0.54167 0.50000 0.32676 1.0000 + Pd Pd224 1.0 0.54167 0.58333 0.32676 1.0000 + Pd Pd225 1.0 0.54167 0.66667 0.32676 1.0000 + Pd Pd226 1.0 0.54167 0.75000 0.32676 1.0000 + Pd Pd227 1.0 0.54167 0.83333 0.32676 1.0000 + Pd Pd228 1.0 0.54167 0.91667 0.32676 1.0000 + Pd Pd229 1.0 0.62500 0.00000 0.32676 1.0000 + Pd Pd230 1.0 0.62500 0.08333 0.32676 1.0000 + Pd Pd231 1.0 0.62500 0.16667 0.32676 1.0000 + Pd Pd232 1.0 0.62500 0.25000 0.32676 1.0000 + Pd Pd233 1.0 0.62500 0.33333 0.32676 1.0000 + Pd Pd234 1.0 0.62500 0.41667 0.32676 1.0000 + Pd Pd235 1.0 0.62500 0.50000 0.32676 1.0000 + Pd Pd236 1.0 0.62500 0.58333 0.32676 1.0000 + Pd Pd237 1.0 0.62500 0.66667 0.32676 1.0000 + Pd Pd238 1.0 0.62500 0.75000 0.32676 1.0000 + Pd Pd239 1.0 0.62500 0.83333 0.32676 1.0000 + Pd Pd240 1.0 0.62500 0.91667 0.32676 1.0000 + Pd Pd241 1.0 0.70833 0.00000 0.32676 1.0000 + Pd Pd242 1.0 0.70833 0.08333 0.32676 1.0000 + Pd Pd243 1.0 0.70833 0.16667 0.32676 1.0000 + Pd Pd244 1.0 0.70833 0.25000 0.32676 1.0000 + Pd Pd245 1.0 0.70833 0.33333 0.32676 1.0000 + Pd Pd246 1.0 0.70833 0.41667 0.32676 1.0000 + Pd Pd247 1.0 0.70833 0.50000 0.32676 1.0000 + Pd Pd248 1.0 0.70833 0.58333 0.32676 1.0000 + Pd Pd249 1.0 0.70833 0.66667 0.32676 1.0000 + Pd Pd250 1.0 0.70833 0.75000 0.32676 1.0000 + Pd Pd251 1.0 0.70833 0.83333 0.32676 1.0000 + Pd Pd252 1.0 0.70833 0.91667 0.32676 1.0000 + Pd Pd253 1.0 0.79167 0.00000 0.32676 1.0000 + Pd Pd254 1.0 0.79167 0.08333 0.32676 1.0000 + Pd Pd255 1.0 0.79167 0.16667 0.32676 1.0000 + Pd Pd256 1.0 0.79167 0.25000 0.32676 1.0000 + Pd Pd257 1.0 0.79167 0.33333 0.32676 1.0000 + Pd Pd258 1.0 0.79167 0.41667 0.32676 1.0000 + Pd Pd259 1.0 0.79167 0.50000 0.32676 1.0000 + Pd Pd260 1.0 0.79167 0.58333 0.32676 1.0000 + Pd Pd261 1.0 0.79167 0.66667 0.32676 1.0000 + Pd Pd262 1.0 0.79167 0.75000 0.32676 1.0000 + Pd Pd263 1.0 0.79167 0.83333 0.32676 1.0000 + Pd Pd264 1.0 0.79167 0.91667 0.32676 1.0000 + Pd Pd265 1.0 0.87500 0.00000 0.32676 1.0000 + Pd Pd266 1.0 0.87500 0.08333 0.32676 1.0000 + Pd Pd267 1.0 0.87500 0.16667 0.32676 1.0000 + Pd Pd268 1.0 0.87500 0.25000 0.32676 1.0000 + Pd Pd269 1.0 0.87500 0.33333 0.32676 1.0000 + Pd Pd270 1.0 0.87500 0.41667 0.32676 1.0000 + Pd Pd271 1.0 0.87500 0.50000 0.32676 1.0000 + Pd Pd272 1.0 0.87500 0.58333 0.32676 1.0000 + Pd Pd273 1.0 0.87500 0.66667 0.32676 1.0000 + Pd Pd274 1.0 0.87500 0.75000 0.32676 1.0000 + Pd Pd275 1.0 0.87500 0.83333 0.32676 1.0000 + Pd Pd276 1.0 0.87500 0.91667 0.32676 1.0000 + Pd Pd277 1.0 0.95833 0.00000 0.32676 1.0000 + Pd Pd278 1.0 0.95833 0.08333 0.32676 1.0000 + Pd Pd279 1.0 0.95833 0.16667 0.32676 1.0000 + Pd Pd280 1.0 0.95833 0.25000 0.32676 1.0000 + Pd Pd281 1.0 0.95833 0.33333 0.32676 1.0000 + Pd Pd282 1.0 0.95833 0.41667 0.32676 1.0000 + Pd Pd283 1.0 0.95833 0.50000 0.32676 1.0000 + Pd Pd284 1.0 0.95833 0.58333 0.32676 1.0000 + Pd Pd285 1.0 0.95833 0.66667 0.32676 1.0000 + Pd Pd286 1.0 0.95833 0.75000 0.32676 1.0000 + Pd Pd287 1.0 0.95833 0.83333 0.32676 1.0000 + Pd Pd288 1.0 0.95833 0.91667 0.32676 1.0000 + O O1 1.0 0.06448 0.04983 0.65694 1.0000 + O O2 1.0 0.06448 0.13317 0.65694 1.0000 + O O3 1.0 0.06448 0.21650 0.65694 1.0000 + O O4 1.0 0.06448 0.29983 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0.43552 0.34306 1.0000 + O O1027 1.0 0.11683 0.51886 0.34306 1.0000 + O O1028 1.0 0.11683 0.60219 0.34306 1.0000 + O O1029 1.0 0.11683 0.68552 0.34306 1.0000 + O O1030 1.0 0.11683 0.76886 0.34306 1.0000 + O O1031 1.0 0.11683 0.85219 0.34306 1.0000 + O O1032 1.0 0.11683 0.93552 0.34306 1.0000 + O O1033 1.0 0.20017 0.01886 0.34306 1.0000 + O O1034 1.0 0.20017 0.10219 0.34306 1.0000 + O O1035 1.0 0.20017 0.18552 0.34306 1.0000 + O O1036 1.0 0.20017 0.26886 0.34306 1.0000 + O O1037 1.0 0.20017 0.35219 0.34306 1.0000 + O O1038 1.0 0.20017 0.43552 0.34306 1.0000 + O O1039 1.0 0.20017 0.51886 0.34306 1.0000 + O O1040 1.0 0.20017 0.60219 0.34306 1.0000 + O O1041 1.0 0.20017 0.68552 0.34306 1.0000 + O O1042 1.0 0.20017 0.76886 0.34306 1.0000 + O O1043 1.0 0.20017 0.85219 0.34306 1.0000 + O O1044 1.0 0.20017 0.93552 0.34306 1.0000 + O O1045 1.0 0.28350 0.01886 0.34306 1.0000 + O O1046 1.0 0.28350 0.10219 0.34306 1.0000 + O O1047 1.0 0.28350 0.18552 0.34306 1.0000 + O O1048 1.0 0.28350 0.26886 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1.0000 + O O1071 1.0 0.45017 0.18552 0.34306 1.0000 + O O1072 1.0 0.45017 0.26886 0.34306 1.0000 + O O1073 1.0 0.45017 0.35219 0.34306 1.0000 + O O1074 1.0 0.45017 0.43552 0.34306 1.0000 + O O1075 1.0 0.45017 0.51886 0.34306 1.0000 + O O1076 1.0 0.45017 0.60219 0.34306 1.0000 + O O1077 1.0 0.45017 0.68552 0.34306 1.0000 + O O1078 1.0 0.45017 0.76886 0.34306 1.0000 + O O1079 1.0 0.45017 0.85219 0.34306 1.0000 + O O1080 1.0 0.45017 0.93552 0.34306 1.0000 + O O1081 1.0 0.53350 0.01886 0.34306 1.0000 + O O1082 1.0 0.53350 0.10219 0.34306 1.0000 + O O1083 1.0 0.53350 0.18552 0.34306 1.0000 + O O1084 1.0 0.53350 0.26886 0.34306 1.0000 + O O1085 1.0 0.53350 0.35219 0.34306 1.0000 + O O1086 1.0 0.53350 0.43552 0.34306 1.0000 + O O1087 1.0 0.53350 0.51886 0.34306 1.0000 + O O1088 1.0 0.53350 0.60219 0.34306 1.0000 + O O1089 1.0 0.53350 0.68552 0.34306 1.0000 + O O1090 1.0 0.53350 0.76886 0.34306 1.0000 + O O1091 1.0 0.53350 0.85219 0.34306 1.0000 + O O1092 1.0 0.53350 0.93552 0.34306 1.0000 + O O1093 1.0 0.61683 0.01886 0.34306 1.0000 + O O1094 1.0 0.61683 0.10219 0.34306 1.0000 + O O1095 1.0 0.61683 0.18552 0.34306 1.0000 + O O1096 1.0 0.61683 0.26886 0.34306 1.0000 + O O1097 1.0 0.61683 0.35219 0.34306 1.0000 + O O1098 1.0 0.61683 0.43552 0.34306 1.0000 + O O1099 1.0 0.61683 0.51886 0.34306 1.0000 + O O1100 1.0 0.61683 0.60219 0.34306 1.0000 + O O1101 1.0 0.61683 0.68552 0.34306 1.0000 + O O1102 1.0 0.61683 0.76886 0.34306 1.0000 + O O1103 1.0 0.61683 0.85219 0.34306 1.0000 + O O1104 1.0 0.61683 0.93552 0.34306 1.0000 + O O1105 1.0 0.70017 0.01886 0.34306 1.0000 + O O1106 1.0 0.70017 0.10219 0.34306 1.0000 + O O1107 1.0 0.70017 0.18552 0.34306 1.0000 + O O1108 1.0 0.70017 0.26886 0.34306 1.0000 + O O1109 1.0 0.70017 0.35219 0.34306 1.0000 + O O1110 1.0 0.70017 0.43552 0.34306 1.0000 + O O1111 1.0 0.70017 0.51886 0.34306 1.0000 + O O1112 1.0 0.70017 0.60219 0.34306 1.0000 + O O1113 1.0 0.70017 0.68552 0.34306 1.0000 + O O1114 1.0 0.70017 0.76886 0.34306 1.0000 + O O1115 1.0 0.70017 0.85219 0.34306 1.0000 + O O1116 1.0 0.70017 0.93552 0.34306 1.0000 + O O1117 1.0 0.78350 0.01886 0.34306 1.0000 + O O1118 1.0 0.78350 0.10219 0.34306 1.0000 + O O1119 1.0 0.78350 0.18552 0.34306 1.0000 + O O1120 1.0 0.78350 0.26886 0.34306 1.0000 + O O1121 1.0 0.78350 0.35219 0.34306 1.0000 + O O1122 1.0 0.78350 0.43552 0.34306 1.0000 + O O1123 1.0 0.78350 0.51886 0.34306 1.0000 + O O1124 1.0 0.78350 0.60219 0.34306 1.0000 + O O1125 1.0 0.78350 0.68552 0.34306 1.0000 + O O1126 1.0 0.78350 0.76886 0.34306 1.0000 + O O1127 1.0 0.78350 0.85219 0.34306 1.0000 + O O1128 1.0 0.78350 0.93552 0.34306 1.0000 + O O1129 1.0 0.86683 0.01886 0.34306 1.0000 + O O1130 1.0 0.86683 0.10219 0.34306 1.0000 + O O1131 1.0 0.86683 0.18552 0.34306 1.0000 + O O1132 1.0 0.86683 0.26886 0.34306 1.0000 + O O1133 1.0 0.86683 0.35219 0.34306 1.0000 + O O1134 1.0 0.86683 0.43552 0.34306 1.0000 + O O1135 1.0 0.86683 0.51886 0.34306 1.0000 + O O1136 1.0 0.86683 0.60219 0.34306 1.0000 + O O1137 1.0 0.86683 0.68552 0.34306 1.0000 + O O1138 1.0 0.86683 0.76886 0.34306 1.0000 + O O1139 1.0 0.86683 0.85219 0.34306 1.0000 + O O1140 1.0 0.86683 0.93552 0.34306 1.0000 + O O1141 1.0 0.95017 0.01886 0.34306 1.0000 + O O1142 1.0 0.95017 0.10219 0.34306 1.0000 + O O1143 1.0 0.95017 0.18552 0.34306 1.0000 + O O1144 1.0 0.95017 0.26886 0.34306 1.0000 + O O1145 1.0 0.95017 0.35219 0.34306 1.0000 + O O1146 1.0 0.95017 0.43552 0.34306 1.0000 + O O1147 1.0 0.95017 0.51886 0.34306 1.0000 + O O1148 1.0 0.95017 0.60219 0.34306 1.0000 + O O1149 1.0 0.95017 0.68552 0.34306 1.0000 + O O1150 1.0 0.95017 0.76886 0.34306 1.0000 + O O1151 1.0 0.95017 0.85219 0.34306 1.0000 + O O1152 1.0 0.95017 0.93552 0.34306 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5070_supercell_8x8x1.cif b/tier2/cif_file/orthogonal_2dm-5070_supercell_8x8x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..50f8394b7ac6dd8ce6276c5e3de9b0e9308d6ead --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5070_supercell_8x8x1.cif @@ -0,0 +1,1817 @@ +data_image0 +_chemical_formula_structural Mg256Sb512O1024 +_chemical_formula_sum "Mg256 Sb512 O1024" +_cell_length_a 85.46 +_cell_length_b 81.3731 +_cell_length_c 6.4605 +_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 + Mg Mg1 1.0 0.09376 0.01693 0.41251 1.0000 + Mg Mg2 1.0 0.09376 0.14193 0.41251 1.0000 + Mg Mg3 1.0 0.09376 0.26693 0.41251 1.0000 + Mg Mg4 1.0 0.09376 0.39193 0.41251 1.0000 + Mg Mg5 1.0 0.09376 0.51693 0.41251 1.0000 + Mg Mg6 1.0 0.09376 0.64193 0.41251 1.0000 + Mg Mg7 1.0 0.09376 0.76693 0.41251 1.0000 + Mg Mg8 1.0 0.09376 0.89193 0.41251 1.0000 + Mg Mg9 1.0 0.21876 0.01693 0.41251 1.0000 + Mg Mg10 1.0 0.21876 0.14193 0.41251 1.0000 + Mg Mg11 1.0 0.21876 0.26693 0.41251 1.0000 + Mg Mg12 1.0 0.21876 0.39193 0.41251 1.0000 + Mg Mg13 1.0 0.21876 0.51693 0.41251 1.0000 + Mg Mg14 1.0 0.21876 0.64193 0.41251 1.0000 + Mg Mg15 1.0 0.21876 0.76693 0.41251 1.0000 + Mg Mg16 1.0 0.21876 0.89193 0.41251 1.0000 + Mg Mg17 1.0 0.34376 0.01693 0.41251 1.0000 + Mg Mg18 1.0 0.34376 0.14193 0.41251 1.0000 + Mg Mg19 1.0 0.34376 0.26693 0.41251 1.0000 + Mg Mg20 1.0 0.34376 0.39193 0.41251 1.0000 + Mg Mg21 1.0 0.34376 0.51693 0.41251 1.0000 + Mg Mg22 1.0 0.34376 0.64193 0.41251 1.0000 + Mg Mg23 1.0 0.34376 0.76693 0.41251 1.0000 + Mg Mg24 1.0 0.34376 0.89193 0.41251 1.0000 + Mg Mg25 1.0 0.46876 0.01693 0.41251 1.0000 + Mg Mg26 1.0 0.46876 0.14193 0.41251 1.0000 + Mg Mg27 1.0 0.46876 0.26693 0.41251 1.0000 + Mg Mg28 1.0 0.46876 0.39193 0.41251 1.0000 + Mg Mg29 1.0 0.46876 0.51693 0.41251 1.0000 + Mg Mg30 1.0 0.46876 0.64193 0.41251 1.0000 + Mg Mg31 1.0 0.46876 0.76693 0.41251 1.0000 + Mg Mg32 1.0 0.46876 0.89193 0.41251 1.0000 + Mg Mg33 1.0 0.59376 0.01693 0.41251 1.0000 + Mg Mg34 1.0 0.59376 0.14193 0.41251 1.0000 + Mg Mg35 1.0 0.59376 0.26693 0.41251 1.0000 + Mg Mg36 1.0 0.59376 0.39193 0.41251 1.0000 + Mg Mg37 1.0 0.59376 0.51693 0.41251 1.0000 + Mg Mg38 1.0 0.59376 0.64193 0.41251 1.0000 + Mg Mg39 1.0 0.59376 0.76693 0.41251 1.0000 + Mg Mg40 1.0 0.59376 0.89193 0.41251 1.0000 + Mg Mg41 1.0 0.71876 0.01693 0.41251 1.0000 + Mg Mg42 1.0 0.71876 0.14193 0.41251 1.0000 + Mg Mg43 1.0 0.71876 0.26693 0.41251 1.0000 + Mg Mg44 1.0 0.71876 0.39193 0.41251 1.0000 + Mg Mg45 1.0 0.71876 0.51693 0.41251 1.0000 + Mg Mg46 1.0 0.71876 0.64193 0.41251 1.0000 + Mg Mg47 1.0 0.71876 0.76693 0.41251 1.0000 + Mg Mg48 1.0 0.71876 0.89193 0.41251 1.0000 + Mg Mg49 1.0 0.84376 0.01693 0.41251 1.0000 + Mg Mg50 1.0 0.84376 0.14193 0.41251 1.0000 + Mg Mg51 1.0 0.84376 0.26693 0.41251 1.0000 + Mg Mg52 1.0 0.84376 0.39193 0.41251 1.0000 + Mg Mg53 1.0 0.84376 0.51693 0.41251 1.0000 + Mg Mg54 1.0 0.84376 0.64193 0.41251 1.0000 + Mg Mg55 1.0 0.84376 0.76693 0.41251 1.0000 + Mg Mg56 1.0 0.84376 0.89193 0.41251 1.0000 + Mg Mg57 1.0 0.96876 0.01693 0.41251 1.0000 + Mg Mg58 1.0 0.96876 0.14193 0.41251 1.0000 + Mg Mg59 1.0 0.96876 0.26693 0.41251 1.0000 + Mg Mg60 1.0 0.96876 0.39193 0.41251 1.0000 + Mg Mg61 1.0 0.96876 0.51693 0.41251 1.0000 + Mg Mg62 1.0 0.96876 0.64193 0.41251 1.0000 + Mg Mg63 1.0 0.96876 0.76693 0.41251 1.0000 + Mg Mg64 1.0 0.96876 0.89193 0.41251 1.0000 + Mg Mg65 1.0 0.03126 0.04557 0.41239 1.0000 + Mg Mg66 1.0 0.03126 0.17057 0.41239 1.0000 + Mg Mg67 1.0 0.03126 0.29557 0.41239 1.0000 + Mg Mg68 1.0 0.03126 0.42057 0.41239 1.0000 + Mg Mg69 1.0 0.03126 0.54557 0.41239 1.0000 + Mg Mg70 1.0 0.03126 0.67057 0.41239 1.0000 + Mg Mg71 1.0 0.03126 0.79557 0.41239 1.0000 + Mg Mg72 1.0 0.03126 0.92057 0.41239 1.0000 + Mg Mg73 1.0 0.15626 0.04557 0.41239 1.0000 + Mg Mg74 1.0 0.15626 0.17057 0.41239 1.0000 + Mg Mg75 1.0 0.15626 0.29557 0.41239 1.0000 + Mg Mg76 1.0 0.15626 0.42057 0.41239 1.0000 + Mg Mg77 1.0 0.15626 0.54557 0.41239 1.0000 + Mg Mg78 1.0 0.15626 0.67057 0.41239 1.0000 + Mg Mg79 1.0 0.15626 0.79557 0.41239 1.0000 + Mg Mg80 1.0 0.15626 0.92057 0.41239 1.0000 + Mg Mg81 1.0 0.28126 0.04557 0.41239 1.0000 + Mg Mg82 1.0 0.28126 0.17057 0.41239 1.0000 + Mg Mg83 1.0 0.28126 0.29557 0.41239 1.0000 + Mg Mg84 1.0 0.28126 0.42057 0.41239 1.0000 + Mg Mg85 1.0 0.28126 0.54557 0.41239 1.0000 + Mg Mg86 1.0 0.28126 0.67057 0.41239 1.0000 + Mg Mg87 1.0 0.28126 0.79557 0.41239 1.0000 + Mg Mg88 1.0 0.28126 0.92057 0.41239 1.0000 + Mg Mg89 1.0 0.40626 0.04557 0.41239 1.0000 + Mg Mg90 1.0 0.40626 0.17057 0.41239 1.0000 + Mg Mg91 1.0 0.40626 0.29557 0.41239 1.0000 + Mg Mg92 1.0 0.40626 0.42057 0.41239 1.0000 + Mg Mg93 1.0 0.40626 0.54557 0.41239 1.0000 + Mg Mg94 1.0 0.40626 0.67057 0.41239 1.0000 + Mg Mg95 1.0 0.40626 0.79557 0.41239 1.0000 + Mg Mg96 1.0 0.40626 0.92057 0.41239 1.0000 + Mg Mg97 1.0 0.53126 0.04557 0.41239 1.0000 + Mg Mg98 1.0 0.53126 0.17057 0.41239 1.0000 + Mg Mg99 1.0 0.53126 0.29557 0.41239 1.0000 + Mg Mg100 1.0 0.53126 0.42057 0.41239 1.0000 + Mg Mg101 1.0 0.53126 0.54557 0.41239 1.0000 + Mg Mg102 1.0 0.53126 0.67057 0.41239 1.0000 + Mg Mg103 1.0 0.53126 0.79557 0.41239 1.0000 + Mg Mg104 1.0 0.53126 0.92057 0.41239 1.0000 + Mg Mg105 1.0 0.65626 0.04557 0.41239 1.0000 + Mg Mg106 1.0 0.65626 0.17057 0.41239 1.0000 + Mg Mg107 1.0 0.65626 0.29557 0.41239 1.0000 + Mg Mg108 1.0 0.65626 0.42057 0.41239 1.0000 + Mg Mg109 1.0 0.65626 0.54557 0.41239 1.0000 + Mg Mg110 1.0 0.65626 0.67057 0.41239 1.0000 + Mg Mg111 1.0 0.65626 0.79557 0.41239 1.0000 + Mg Mg112 1.0 0.65626 0.92057 0.41239 1.0000 + Mg Mg113 1.0 0.78126 0.04557 0.41239 1.0000 + Mg Mg114 1.0 0.78126 0.17057 0.41239 1.0000 + Mg Mg115 1.0 0.78126 0.29557 0.41239 1.0000 + Mg Mg116 1.0 0.78126 0.42057 0.41239 1.0000 + Mg Mg117 1.0 0.78126 0.54557 0.41239 1.0000 + Mg Mg118 1.0 0.78126 0.67057 0.41239 1.0000 + Mg Mg119 1.0 0.78126 0.79557 0.41239 1.0000 + Mg Mg120 1.0 0.78126 0.92057 0.41239 1.0000 + Mg Mg121 1.0 0.90626 0.04557 0.41239 1.0000 + Mg Mg122 1.0 0.90626 0.17057 0.41239 1.0000 + Mg Mg123 1.0 0.90626 0.29557 0.41239 1.0000 + Mg Mg124 1.0 0.90626 0.42057 0.41239 1.0000 + Mg Mg125 1.0 0.90626 0.54557 0.41239 1.0000 + Mg Mg126 1.0 0.90626 0.67057 0.41239 1.0000 + Mg Mg127 1.0 0.90626 0.79557 0.41239 1.0000 + Mg Mg128 1.0 0.90626 0.92057 0.41239 1.0000 + Mg Mg129 1.0 0.09374 0.07943 0.58761 1.0000 + Mg Mg130 1.0 0.09374 0.20443 0.58761 1.0000 + Mg Mg131 1.0 0.09374 0.32943 0.58761 1.0000 + Mg Mg132 1.0 0.09374 0.45443 0.58761 1.0000 + Mg Mg133 1.0 0.09374 0.57943 0.58761 1.0000 + Mg Mg134 1.0 0.09374 0.70443 0.58761 1.0000 + Mg Mg135 1.0 0.09374 0.82943 0.58761 1.0000 + Mg Mg136 1.0 0.09374 0.95443 0.58761 1.0000 + Mg Mg137 1.0 0.21874 0.07943 0.58761 1.0000 + Mg Mg138 1.0 0.21874 0.20443 0.58761 1.0000 + Mg Mg139 1.0 0.21874 0.32943 0.58761 1.0000 + Mg Mg140 1.0 0.21874 0.45443 0.58761 1.0000 + Mg Mg141 1.0 0.21874 0.57943 0.58761 1.0000 + Mg Mg142 1.0 0.21874 0.70443 0.58761 1.0000 + Mg Mg143 1.0 0.21874 0.82943 0.58761 1.0000 + Mg Mg144 1.0 0.21874 0.95443 0.58761 1.0000 + Mg Mg145 1.0 0.34374 0.07943 0.58761 1.0000 + Mg Mg146 1.0 0.34374 0.20443 0.58761 1.0000 + Mg Mg147 1.0 0.34374 0.32943 0.58761 1.0000 + Mg Mg148 1.0 0.34374 0.45443 0.58761 1.0000 + Mg Mg149 1.0 0.34374 0.57943 0.58761 1.0000 + Mg Mg150 1.0 0.34374 0.70443 0.58761 1.0000 + Mg Mg151 1.0 0.34374 0.82943 0.58761 1.0000 + Mg Mg152 1.0 0.34374 0.95443 0.58761 1.0000 + Mg Mg153 1.0 0.46874 0.07943 0.58761 1.0000 + Mg Mg154 1.0 0.46874 0.20443 0.58761 1.0000 + Mg Mg155 1.0 0.46874 0.32943 0.58761 1.0000 + Mg Mg156 1.0 0.46874 0.45443 0.58761 1.0000 + Mg Mg157 1.0 0.46874 0.57943 0.58761 1.0000 + Mg Mg158 1.0 0.46874 0.70443 0.58761 1.0000 + Mg Mg159 1.0 0.46874 0.82943 0.58761 1.0000 + Mg Mg160 1.0 0.46874 0.95443 0.58761 1.0000 + Mg Mg161 1.0 0.59374 0.07943 0.58761 1.0000 + Mg Mg162 1.0 0.59374 0.20443 0.58761 1.0000 + Mg Mg163 1.0 0.59374 0.32943 0.58761 1.0000 + Mg Mg164 1.0 0.59374 0.45443 0.58761 1.0000 + Mg Mg165 1.0 0.59374 0.57943 0.58761 1.0000 + Mg Mg166 1.0 0.59374 0.70443 0.58761 1.0000 + Mg Mg167 1.0 0.59374 0.82943 0.58761 1.0000 + Mg Mg168 1.0 0.59374 0.95443 0.58761 1.0000 + Mg Mg169 1.0 0.71874 0.07943 0.58761 1.0000 + Mg Mg170 1.0 0.71874 0.20443 0.58761 1.0000 + Mg Mg171 1.0 0.71874 0.32943 0.58761 1.0000 + Mg Mg172 1.0 0.71874 0.45443 0.58761 1.0000 + Mg Mg173 1.0 0.71874 0.57943 0.58761 1.0000 + Mg Mg174 1.0 0.71874 0.70443 0.58761 1.0000 + Mg Mg175 1.0 0.71874 0.82943 0.58761 1.0000 + Mg Mg176 1.0 0.71874 0.95443 0.58761 1.0000 + Mg Mg177 1.0 0.84374 0.07943 0.58761 1.0000 + Mg Mg178 1.0 0.84374 0.20443 0.58761 1.0000 + Mg Mg179 1.0 0.84374 0.32943 0.58761 1.0000 + Mg Mg180 1.0 0.84374 0.45443 0.58761 1.0000 + Mg Mg181 1.0 0.84374 0.57943 0.58761 1.0000 + Mg Mg182 1.0 0.84374 0.70443 0.58761 1.0000 + Mg Mg183 1.0 0.84374 0.82943 0.58761 1.0000 + Mg Mg184 1.0 0.84374 0.95443 0.58761 1.0000 + Mg Mg185 1.0 0.96874 0.07943 0.58761 1.0000 + Mg Mg186 1.0 0.96874 0.20443 0.58761 1.0000 + Mg Mg187 1.0 0.96874 0.32943 0.58761 1.0000 + Mg Mg188 1.0 0.96874 0.45443 0.58761 1.0000 + Mg Mg189 1.0 0.96874 0.57943 0.58761 1.0000 + Mg Mg190 1.0 0.96874 0.70443 0.58761 1.0000 + Mg Mg191 1.0 0.96874 0.82943 0.58761 1.0000 + Mg Mg192 1.0 0.96874 0.95443 0.58761 1.0000 + Mg Mg193 1.0 0.03124 0.10807 0.58749 1.0000 + Mg Mg194 1.0 0.03124 0.23307 0.58749 1.0000 + Mg Mg195 1.0 0.03124 0.35807 0.58749 1.0000 + Mg Mg196 1.0 0.03124 0.48307 0.58749 1.0000 + Mg Mg197 1.0 0.03124 0.60807 0.58749 1.0000 + Mg Mg198 1.0 0.03124 0.73307 0.58749 1.0000 + Mg Mg199 1.0 0.03124 0.85807 0.58749 1.0000 + Mg Mg200 1.0 0.03124 0.98307 0.58749 1.0000 + Mg Mg201 1.0 0.15624 0.10807 0.58749 1.0000 + Mg Mg202 1.0 0.15624 0.23307 0.58749 1.0000 + Mg Mg203 1.0 0.15624 0.35807 0.58749 1.0000 + Mg Mg204 1.0 0.15624 0.48307 0.58749 1.0000 + Mg Mg205 1.0 0.15624 0.60807 0.58749 1.0000 + Mg Mg206 1.0 0.15624 0.73307 0.58749 1.0000 + Mg Mg207 1.0 0.15624 0.85807 0.58749 1.0000 + Mg Mg208 1.0 0.15624 0.98307 0.58749 1.0000 + Mg Mg209 1.0 0.28124 0.10807 0.58749 1.0000 + Mg Mg210 1.0 0.28124 0.23307 0.58749 1.0000 + Mg Mg211 1.0 0.28124 0.35807 0.58749 1.0000 + Mg Mg212 1.0 0.28124 0.48307 0.58749 1.0000 + Mg Mg213 1.0 0.28124 0.60807 0.58749 1.0000 + Mg Mg214 1.0 0.28124 0.73307 0.58749 1.0000 + Mg Mg215 1.0 0.28124 0.85807 0.58749 1.0000 + Mg Mg216 1.0 0.28124 0.98307 0.58749 1.0000 + Mg Mg217 1.0 0.40624 0.10807 0.58749 1.0000 + Mg Mg218 1.0 0.40624 0.23307 0.58749 1.0000 + Mg Mg219 1.0 0.40624 0.35807 0.58749 1.0000 + Mg Mg220 1.0 0.40624 0.48307 0.58749 1.0000 + Mg Mg221 1.0 0.40624 0.60807 0.58749 1.0000 + Mg Mg222 1.0 0.40624 0.73307 0.58749 1.0000 + Mg Mg223 1.0 0.40624 0.85807 0.58749 1.0000 + Mg Mg224 1.0 0.40624 0.98307 0.58749 1.0000 + Mg Mg225 1.0 0.53124 0.10807 0.58749 1.0000 + Mg Mg226 1.0 0.53124 0.23307 0.58749 1.0000 + Mg Mg227 1.0 0.53124 0.35807 0.58749 1.0000 + Mg Mg228 1.0 0.53124 0.48307 0.58749 1.0000 + Mg Mg229 1.0 0.53124 0.60807 0.58749 1.0000 + Mg Mg230 1.0 0.53124 0.73307 0.58749 1.0000 + Mg Mg231 1.0 0.53124 0.85807 0.58749 1.0000 + Mg Mg232 1.0 0.53124 0.98307 0.58749 1.0000 + Mg Mg233 1.0 0.65624 0.10807 0.58749 1.0000 + Mg Mg234 1.0 0.65624 0.23307 0.58749 1.0000 + Mg Mg235 1.0 0.65624 0.35807 0.58749 1.0000 + Mg Mg236 1.0 0.65624 0.48307 0.58749 1.0000 + Mg Mg237 1.0 0.65624 0.60807 0.58749 1.0000 + Mg Mg238 1.0 0.65624 0.73307 0.58749 1.0000 + Mg Mg239 1.0 0.65624 0.85807 0.58749 1.0000 + Mg Mg240 1.0 0.65624 0.98307 0.58749 1.0000 + Mg Mg241 1.0 0.78124 0.10807 0.58749 1.0000 + Mg Mg242 1.0 0.78124 0.23307 0.58749 1.0000 + Mg Mg243 1.0 0.78124 0.35807 0.58749 1.0000 + Mg Mg244 1.0 0.78124 0.48307 0.58749 1.0000 + Mg Mg245 1.0 0.78124 0.60807 0.58749 1.0000 + Mg Mg246 1.0 0.78124 0.73307 0.58749 1.0000 + Mg Mg247 1.0 0.78124 0.85807 0.58749 1.0000 + Mg Mg248 1.0 0.78124 0.98307 0.58749 1.0000 + Mg Mg249 1.0 0.90624 0.10807 0.58749 1.0000 + Mg Mg250 1.0 0.90624 0.23307 0.58749 1.0000 + Mg Mg251 1.0 0.90624 0.35807 0.58749 1.0000 + Mg Mg252 1.0 0.90624 0.48307 0.58749 1.0000 + Mg Mg253 1.0 0.90624 0.60807 0.58749 1.0000 + Mg Mg254 1.0 0.90624 0.73307 0.58749 1.0000 + Mg Mg255 1.0 0.90624 0.85807 0.58749 1.0000 + Mg Mg256 1.0 0.90624 0.98307 0.58749 1.0000 + Sb Sb1 1.0 0.07137 0.05183 0.30958 1.0000 + Sb Sb2 1.0 0.07137 0.17683 0.30958 1.0000 + Sb Sb3 1.0 0.07137 0.30183 0.30958 1.0000 + Sb Sb4 1.0 0.07137 0.42683 0.30958 1.0000 + Sb Sb5 1.0 0.07137 0.55183 0.30958 1.0000 + Sb Sb6 1.0 0.07137 0.67683 0.30958 1.0000 + Sb Sb7 1.0 0.07137 0.80183 0.30958 1.0000 + Sb Sb8 1.0 0.07137 0.92683 0.30958 1.0000 + Sb Sb9 1.0 0.19637 0.05183 0.30958 1.0000 + Sb Sb10 1.0 0.19637 0.17683 0.30958 1.0000 + Sb Sb11 1.0 0.19637 0.30183 0.30958 1.0000 + Sb Sb12 1.0 0.19637 0.42683 0.30958 1.0000 + Sb Sb13 1.0 0.19637 0.55183 0.30958 1.0000 + Sb Sb14 1.0 0.19637 0.67683 0.30958 1.0000 + Sb Sb15 1.0 0.19637 0.80183 0.30958 1.0000 + Sb Sb16 1.0 0.19637 0.92683 0.30958 1.0000 + Sb Sb17 1.0 0.32137 0.05183 0.30958 1.0000 + Sb Sb18 1.0 0.32137 0.17683 0.30958 1.0000 + Sb Sb19 1.0 0.32137 0.30183 0.30958 1.0000 + Sb Sb20 1.0 0.32137 0.42683 0.30958 1.0000 + Sb Sb21 1.0 0.32137 0.55183 0.30958 1.0000 + Sb Sb22 1.0 0.32137 0.67683 0.30958 1.0000 + Sb Sb23 1.0 0.32137 0.80183 0.30958 1.0000 + Sb Sb24 1.0 0.32137 0.92683 0.30958 1.0000 + Sb Sb25 1.0 0.44637 0.05183 0.30958 1.0000 + Sb Sb26 1.0 0.44637 0.17683 0.30958 1.0000 + Sb Sb27 1.0 0.44637 0.30183 0.30958 1.0000 + Sb Sb28 1.0 0.44637 0.42683 0.30958 1.0000 + Sb Sb29 1.0 0.44637 0.55183 0.30958 1.0000 + Sb Sb30 1.0 0.44637 0.67683 0.30958 1.0000 + Sb Sb31 1.0 0.44637 0.80183 0.30958 1.0000 + Sb Sb32 1.0 0.44637 0.92683 0.30958 1.0000 + Sb Sb33 1.0 0.57137 0.05183 0.30958 1.0000 + Sb Sb34 1.0 0.57137 0.17683 0.30958 1.0000 + Sb Sb35 1.0 0.57137 0.30183 0.30958 1.0000 + Sb Sb36 1.0 0.57137 0.42683 0.30958 1.0000 + Sb Sb37 1.0 0.57137 0.55183 0.30958 1.0000 + Sb Sb38 1.0 0.57137 0.67683 0.30958 1.0000 + Sb Sb39 1.0 0.57137 0.80183 0.30958 1.0000 + Sb Sb40 1.0 0.57137 0.92683 0.30958 1.0000 + Sb Sb41 1.0 0.69637 0.05183 0.30958 1.0000 + Sb Sb42 1.0 0.69637 0.17683 0.30958 1.0000 + Sb Sb43 1.0 0.69637 0.30183 0.30958 1.0000 + Sb Sb44 1.0 0.69637 0.42683 0.30958 1.0000 + Sb Sb45 1.0 0.69637 0.55183 0.30958 1.0000 + Sb Sb46 1.0 0.69637 0.67683 0.30958 1.0000 + Sb Sb47 1.0 0.69637 0.80183 0.30958 1.0000 + Sb Sb48 1.0 0.69637 0.92683 0.30958 1.0000 + Sb Sb49 1.0 0.82137 0.05183 0.30958 1.0000 + Sb Sb50 1.0 0.82137 0.17683 0.30958 1.0000 + Sb Sb51 1.0 0.82137 0.30183 0.30958 1.0000 + Sb Sb52 1.0 0.82137 0.42683 0.30958 1.0000 + Sb Sb53 1.0 0.82137 0.55183 0.30958 1.0000 + Sb Sb54 1.0 0.82137 0.67683 0.30958 1.0000 + Sb Sb55 1.0 0.82137 0.80183 0.30958 1.0000 + Sb Sb56 1.0 0.82137 0.92683 0.30958 1.0000 + Sb Sb57 1.0 0.94637 0.05183 0.30958 1.0000 + Sb Sb58 1.0 0.94637 0.17683 0.30958 1.0000 + Sb Sb59 1.0 0.94637 0.30183 0.30958 1.0000 + Sb Sb60 1.0 0.94637 0.42683 0.30958 1.0000 + Sb Sb61 1.0 0.94637 0.55183 0.30958 1.0000 + Sb Sb62 1.0 0.94637 0.67683 0.30958 1.0000 + Sb Sb63 1.0 0.94637 0.80183 0.30958 1.0000 + Sb Sb64 1.0 0.94637 0.92683 0.30958 1.0000 + Sb Sb65 1.0 0.00886 0.01067 0.30960 1.0000 + Sb Sb66 1.0 0.00886 0.13567 0.30960 1.0000 + Sb Sb67 1.0 0.00886 0.26067 0.30960 1.0000 + Sb Sb68 1.0 0.00886 0.38567 0.30960 1.0000 + Sb Sb69 1.0 0.00886 0.51067 0.30960 1.0000 + Sb Sb70 1.0 0.00886 0.63567 0.30960 1.0000 + Sb Sb71 1.0 0.00886 0.76067 0.30960 1.0000 + Sb Sb72 1.0 0.00886 0.88567 0.30960 1.0000 + Sb Sb73 1.0 0.13386 0.01067 0.30960 1.0000 + Sb Sb74 1.0 0.13386 0.13567 0.30960 1.0000 + Sb Sb75 1.0 0.13386 0.26067 0.30960 1.0000 + Sb Sb76 1.0 0.13386 0.38567 0.30960 1.0000 + Sb Sb77 1.0 0.13386 0.51067 0.30960 1.0000 + Sb Sb78 1.0 0.13386 0.63567 0.30960 1.0000 + Sb Sb79 1.0 0.13386 0.76067 0.30960 1.0000 + Sb Sb80 1.0 0.13386 0.88567 0.30960 1.0000 + Sb Sb81 1.0 0.25886 0.01067 0.30960 1.0000 + Sb Sb82 1.0 0.25886 0.13567 0.30960 1.0000 + Sb Sb83 1.0 0.25886 0.26067 0.30960 1.0000 + Sb Sb84 1.0 0.25886 0.38567 0.30960 1.0000 + Sb Sb85 1.0 0.25886 0.51067 0.30960 1.0000 + Sb Sb86 1.0 0.25886 0.63567 0.30960 1.0000 + Sb Sb87 1.0 0.25886 0.76067 0.30960 1.0000 + Sb Sb88 1.0 0.25886 0.88567 0.30960 1.0000 + Sb Sb89 1.0 0.38386 0.01067 0.30960 1.0000 + Sb Sb90 1.0 0.38386 0.13567 0.30960 1.0000 + Sb Sb91 1.0 0.38386 0.26067 0.30960 1.0000 + Sb Sb92 1.0 0.38386 0.38567 0.30960 1.0000 + Sb Sb93 1.0 0.38386 0.51067 0.30960 1.0000 + Sb Sb94 1.0 0.38386 0.63567 0.30960 1.0000 + Sb Sb95 1.0 0.38386 0.76067 0.30960 1.0000 + Sb Sb96 1.0 0.38386 0.88567 0.30960 1.0000 + Sb Sb97 1.0 0.50886 0.01067 0.30960 1.0000 + Sb Sb98 1.0 0.50886 0.13567 0.30960 1.0000 + Sb Sb99 1.0 0.50886 0.26067 0.30960 1.0000 + Sb Sb100 1.0 0.50886 0.38567 0.30960 1.0000 + Sb Sb101 1.0 0.50886 0.51067 0.30960 1.0000 + Sb Sb102 1.0 0.50886 0.63567 0.30960 1.0000 + Sb Sb103 1.0 0.50886 0.76067 0.30960 1.0000 + Sb Sb104 1.0 0.50886 0.88567 0.30960 1.0000 + Sb Sb105 1.0 0.63386 0.01067 0.30960 1.0000 + Sb Sb106 1.0 0.63386 0.13567 0.30960 1.0000 + Sb Sb107 1.0 0.63386 0.26067 0.30960 1.0000 + Sb Sb108 1.0 0.63386 0.38567 0.30960 1.0000 + Sb Sb109 1.0 0.63386 0.51067 0.30960 1.0000 + Sb Sb110 1.0 0.63386 0.63567 0.30960 1.0000 + Sb Sb111 1.0 0.63386 0.76067 0.30960 1.0000 + Sb Sb112 1.0 0.63386 0.88567 0.30960 1.0000 + Sb Sb113 1.0 0.75886 0.01067 0.30960 1.0000 + Sb Sb114 1.0 0.75886 0.13567 0.30960 1.0000 + Sb Sb115 1.0 0.75886 0.26067 0.30960 1.0000 + Sb Sb116 1.0 0.75886 0.38567 0.30960 1.0000 + Sb Sb117 1.0 0.75886 0.51067 0.30960 1.0000 + Sb Sb118 1.0 0.75886 0.63567 0.30960 1.0000 + Sb Sb119 1.0 0.75886 0.76067 0.30960 1.0000 + Sb Sb120 1.0 0.75886 0.88567 0.30960 1.0000 + Sb Sb121 1.0 0.88386 0.01067 0.30960 1.0000 + Sb Sb122 1.0 0.88386 0.13567 0.30960 1.0000 + Sb Sb123 1.0 0.88386 0.26067 0.30960 1.0000 + Sb Sb124 1.0 0.88386 0.38567 0.30960 1.0000 + Sb Sb125 1.0 0.88386 0.51067 0.30960 1.0000 + Sb Sb126 1.0 0.88386 0.63567 0.30960 1.0000 + Sb Sb127 1.0 0.88386 0.76067 0.30960 1.0000 + Sb Sb128 1.0 0.88386 0.88567 0.30960 1.0000 + Sb Sb129 1.0 0.00887 0.07317 0.69043 1.0000 + Sb Sb130 1.0 0.00887 0.19817 0.69043 1.0000 + Sb Sb131 1.0 0.00887 0.32317 0.69043 1.0000 + Sb Sb132 1.0 0.00887 0.44817 0.69043 1.0000 + Sb Sb133 1.0 0.00887 0.57317 0.69043 1.0000 + Sb Sb134 1.0 0.00887 0.69817 0.69043 1.0000 + Sb Sb135 1.0 0.00887 0.82317 0.69043 1.0000 + Sb Sb136 1.0 0.00887 0.94817 0.69043 1.0000 + Sb Sb137 1.0 0.13387 0.07317 0.69043 1.0000 + Sb Sb138 1.0 0.13387 0.19817 0.69043 1.0000 + Sb Sb139 1.0 0.13387 0.32317 0.69043 1.0000 + Sb Sb140 1.0 0.13387 0.44817 0.69043 1.0000 + Sb Sb141 1.0 0.13387 0.57317 0.69043 1.0000 + Sb Sb142 1.0 0.13387 0.69817 0.69043 1.0000 + Sb Sb143 1.0 0.13387 0.82317 0.69043 1.0000 + Sb Sb144 1.0 0.13387 0.94817 0.69043 1.0000 + Sb Sb145 1.0 0.25887 0.07317 0.69043 1.0000 + Sb Sb146 1.0 0.25887 0.19817 0.69043 1.0000 + Sb Sb147 1.0 0.25887 0.32317 0.69043 1.0000 + Sb Sb148 1.0 0.25887 0.44817 0.69043 1.0000 + Sb Sb149 1.0 0.25887 0.57317 0.69043 1.0000 + Sb Sb150 1.0 0.25887 0.69817 0.69043 1.0000 + Sb Sb151 1.0 0.25887 0.82317 0.69043 1.0000 + Sb Sb152 1.0 0.25887 0.94817 0.69043 1.0000 + Sb Sb153 1.0 0.38387 0.07317 0.69043 1.0000 + Sb Sb154 1.0 0.38387 0.19817 0.69043 1.0000 + Sb Sb155 1.0 0.38387 0.32317 0.69043 1.0000 + Sb Sb156 1.0 0.38387 0.44817 0.69043 1.0000 + Sb Sb157 1.0 0.38387 0.57317 0.69043 1.0000 + Sb Sb158 1.0 0.38387 0.69817 0.69043 1.0000 + Sb Sb159 1.0 0.38387 0.82317 0.69043 1.0000 + Sb Sb160 1.0 0.38387 0.94817 0.69043 1.0000 + Sb Sb161 1.0 0.50887 0.07317 0.69043 1.0000 + Sb Sb162 1.0 0.50887 0.19817 0.69043 1.0000 + Sb Sb163 1.0 0.50887 0.32317 0.69043 1.0000 + Sb Sb164 1.0 0.50887 0.44817 0.69043 1.0000 + Sb Sb165 1.0 0.50887 0.57317 0.69043 1.0000 + Sb Sb166 1.0 0.50887 0.69817 0.69043 1.0000 + Sb Sb167 1.0 0.50887 0.82317 0.69043 1.0000 + Sb Sb168 1.0 0.50887 0.94817 0.69043 1.0000 + Sb Sb169 1.0 0.63387 0.07317 0.69043 1.0000 + Sb Sb170 1.0 0.63387 0.19817 0.69043 1.0000 + Sb Sb171 1.0 0.63387 0.32317 0.69043 1.0000 + Sb Sb172 1.0 0.63387 0.44817 0.69043 1.0000 + Sb Sb173 1.0 0.63387 0.57317 0.69043 1.0000 + Sb Sb174 1.0 0.63387 0.69817 0.69043 1.0000 + Sb Sb175 1.0 0.63387 0.82317 0.69043 1.0000 + Sb Sb176 1.0 0.63387 0.94817 0.69043 1.0000 + Sb Sb177 1.0 0.75887 0.07317 0.69043 1.0000 + Sb Sb178 1.0 0.75887 0.19817 0.69043 1.0000 + Sb Sb179 1.0 0.75887 0.32317 0.69043 1.0000 + Sb Sb180 1.0 0.75887 0.44817 0.69043 1.0000 + Sb Sb181 1.0 0.75887 0.57317 0.69043 1.0000 + Sb Sb182 1.0 0.75887 0.69817 0.69043 1.0000 + Sb Sb183 1.0 0.75887 0.82317 0.69043 1.0000 + Sb Sb184 1.0 0.75887 0.94817 0.69043 1.0000 + Sb Sb185 1.0 0.88387 0.07317 0.69043 1.0000 + Sb Sb186 1.0 0.88387 0.19817 0.69043 1.0000 + Sb Sb187 1.0 0.88387 0.32317 0.69043 1.0000 + Sb Sb188 1.0 0.88387 0.44817 0.69043 1.0000 + Sb Sb189 1.0 0.88387 0.57317 0.69043 1.0000 + Sb Sb190 1.0 0.88387 0.69817 0.69043 1.0000 + Sb Sb191 1.0 0.88387 0.82317 0.69043 1.0000 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0.30958 1.0000 + Sb Sb214 1.0 0.30363 0.63567 0.30958 1.0000 + Sb Sb215 1.0 0.30363 0.76067 0.30958 1.0000 + Sb Sb216 1.0 0.30363 0.88567 0.30958 1.0000 + Sb Sb217 1.0 0.42863 0.01067 0.30958 1.0000 + Sb Sb218 1.0 0.42863 0.13567 0.30958 1.0000 + Sb Sb219 1.0 0.42863 0.26067 0.30958 1.0000 + Sb Sb220 1.0 0.42863 0.38567 0.30958 1.0000 + Sb Sb221 1.0 0.42863 0.51067 0.30958 1.0000 + Sb Sb222 1.0 0.42863 0.63567 0.30958 1.0000 + Sb Sb223 1.0 0.42863 0.76067 0.30958 1.0000 + Sb Sb224 1.0 0.42863 0.88567 0.30958 1.0000 + Sb Sb225 1.0 0.55363 0.01067 0.30958 1.0000 + Sb Sb226 1.0 0.55363 0.13567 0.30958 1.0000 + Sb Sb227 1.0 0.55363 0.26067 0.30958 1.0000 + Sb Sb228 1.0 0.55363 0.38567 0.30958 1.0000 + Sb Sb229 1.0 0.55363 0.51067 0.30958 1.0000 + Sb Sb230 1.0 0.55363 0.63567 0.30958 1.0000 + Sb Sb231 1.0 0.55363 0.76067 0.30958 1.0000 + Sb Sb232 1.0 0.55363 0.88567 0.30958 1.0000 + Sb Sb233 1.0 0.67863 0.01067 0.30958 1.0000 + Sb Sb234 1.0 0.67863 0.13567 0.30958 1.0000 + Sb Sb235 1.0 0.67863 0.26067 0.30958 1.0000 + Sb Sb236 1.0 0.67863 0.38567 0.30958 1.0000 + Sb Sb237 1.0 0.67863 0.51067 0.30958 1.0000 + Sb Sb238 1.0 0.67863 0.63567 0.30958 1.0000 + Sb Sb239 1.0 0.67863 0.76067 0.30958 1.0000 + Sb Sb240 1.0 0.67863 0.88567 0.30958 1.0000 + Sb Sb241 1.0 0.80363 0.01067 0.30958 1.0000 + Sb Sb242 1.0 0.80363 0.13567 0.30958 1.0000 + Sb Sb243 1.0 0.80363 0.26067 0.30958 1.0000 + Sb Sb244 1.0 0.80363 0.38567 0.30958 1.0000 + Sb Sb245 1.0 0.80363 0.51067 0.30958 1.0000 + Sb Sb246 1.0 0.80363 0.63567 0.30958 1.0000 + Sb Sb247 1.0 0.80363 0.76067 0.30958 1.0000 + Sb Sb248 1.0 0.80363 0.88567 0.30958 1.0000 + Sb Sb249 1.0 0.92863 0.01067 0.30958 1.0000 + Sb Sb250 1.0 0.92863 0.13567 0.30958 1.0000 + Sb Sb251 1.0 0.92863 0.26067 0.30958 1.0000 + Sb Sb252 1.0 0.92863 0.38567 0.30958 1.0000 + Sb Sb253 1.0 0.92863 0.51067 0.30958 1.0000 + Sb Sb254 1.0 0.92863 0.63567 0.30958 1.0000 + Sb Sb255 1.0 0.92863 0.76067 0.30958 1.0000 + Sb Sb256 1.0 0.92863 0.88567 0.30958 1.0000 + Sb Sb257 1.0 0.05363 0.07317 0.69042 1.0000 + Sb Sb258 1.0 0.05363 0.19817 0.69042 1.0000 + Sb Sb259 1.0 0.05363 0.32317 0.69042 1.0000 + Sb Sb260 1.0 0.05363 0.44817 0.69042 1.0000 + Sb Sb261 1.0 0.05363 0.57317 0.69042 1.0000 + Sb Sb262 1.0 0.05363 0.69817 0.69042 1.0000 + Sb Sb263 1.0 0.05363 0.82317 0.69042 1.0000 + Sb Sb264 1.0 0.05363 0.94817 0.69042 1.0000 + Sb Sb265 1.0 0.17863 0.07317 0.69042 1.0000 + Sb Sb266 1.0 0.17863 0.19817 0.69042 1.0000 + Sb Sb267 1.0 0.17863 0.32317 0.69042 1.0000 + Sb Sb268 1.0 0.17863 0.44817 0.69042 1.0000 + Sb Sb269 1.0 0.17863 0.57317 0.69042 1.0000 + Sb Sb270 1.0 0.17863 0.69817 0.69042 1.0000 + Sb Sb271 1.0 0.17863 0.82317 0.69042 1.0000 + Sb Sb272 1.0 0.17863 0.94817 0.69042 1.0000 + Sb Sb273 1.0 0.30363 0.07317 0.69042 1.0000 + Sb Sb274 1.0 0.30363 0.19817 0.69042 1.0000 + Sb Sb275 1.0 0.30363 0.32317 0.69042 1.0000 + Sb Sb276 1.0 0.30363 0.44817 0.69042 1.0000 + Sb Sb277 1.0 0.30363 0.57317 0.69042 1.0000 + Sb Sb278 1.0 0.30363 0.69817 0.69042 1.0000 + Sb Sb279 1.0 0.30363 0.82317 0.69042 1.0000 + Sb Sb280 1.0 0.30363 0.94817 0.69042 1.0000 + Sb Sb281 1.0 0.42863 0.07317 0.69042 1.0000 + Sb Sb282 1.0 0.42863 0.19817 0.69042 1.0000 + Sb Sb283 1.0 0.42863 0.32317 0.69042 1.0000 + Sb Sb284 1.0 0.42863 0.44817 0.69042 1.0000 + Sb Sb285 1.0 0.42863 0.57317 0.69042 1.0000 + Sb Sb286 1.0 0.42863 0.69817 0.69042 1.0000 + Sb Sb287 1.0 0.42863 0.82317 0.69042 1.0000 + Sb Sb288 1.0 0.42863 0.94817 0.69042 1.0000 + Sb Sb289 1.0 0.55363 0.07317 0.69042 1.0000 + Sb Sb290 1.0 0.55363 0.19817 0.69042 1.0000 + Sb Sb291 1.0 0.55363 0.32317 0.69042 1.0000 + Sb Sb292 1.0 0.55363 0.44817 0.69042 1.0000 + Sb Sb293 1.0 0.55363 0.57317 0.69042 1.0000 + Sb Sb294 1.0 0.55363 0.69817 0.69042 1.0000 + Sb Sb295 1.0 0.55363 0.82317 0.69042 1.0000 + Sb Sb296 1.0 0.55363 0.94817 0.69042 1.0000 + Sb Sb297 1.0 0.67863 0.07317 0.69042 1.0000 + Sb Sb298 1.0 0.67863 0.19817 0.69042 1.0000 + Sb Sb299 1.0 0.67863 0.32317 0.69042 1.0000 + Sb Sb300 1.0 0.67863 0.44817 0.69042 1.0000 + Sb Sb301 1.0 0.67863 0.57317 0.69042 1.0000 + Sb Sb302 1.0 0.67863 0.69817 0.69042 1.0000 + Sb Sb303 1.0 0.67863 0.82317 0.69042 1.0000 + Sb Sb304 1.0 0.67863 0.94817 0.69042 1.0000 + Sb Sb305 1.0 0.80363 0.07317 0.69042 1.0000 + Sb Sb306 1.0 0.80363 0.19817 0.69042 1.0000 + Sb Sb307 1.0 0.80363 0.32317 0.69042 1.0000 + Sb Sb308 1.0 0.80363 0.44817 0.69042 1.0000 + Sb Sb309 1.0 0.80363 0.57317 0.69042 1.0000 + Sb Sb310 1.0 0.80363 0.69817 0.69042 1.0000 + Sb Sb311 1.0 0.80363 0.82317 0.69042 1.0000 + Sb Sb312 1.0 0.80363 0.94817 0.69042 1.0000 + Sb Sb313 1.0 0.92863 0.07317 0.69042 1.0000 + Sb Sb314 1.0 0.92863 0.19817 0.69042 1.0000 + Sb Sb315 1.0 0.92863 0.32317 0.69042 1.0000 + Sb Sb316 1.0 0.92863 0.44817 0.69042 1.0000 + Sb Sb317 1.0 0.92863 0.57317 0.69042 1.0000 + Sb Sb318 1.0 0.92863 0.69817 0.69042 1.0000 + Sb Sb319 1.0 0.92863 0.82317 0.69042 1.0000 + Sb Sb320 1.0 0.92863 0.94817 0.69042 1.0000 + Sb Sb321 1.0 0.11613 0.05183 0.30957 1.0000 + Sb Sb322 1.0 0.11613 0.17683 0.30957 1.0000 + Sb Sb323 1.0 0.11613 0.30183 0.30957 1.0000 + Sb Sb324 1.0 0.11613 0.42683 0.30957 1.0000 + Sb Sb325 1.0 0.11613 0.55183 0.30957 1.0000 + Sb Sb326 1.0 0.11613 0.67683 0.30957 1.0000 + Sb Sb327 1.0 0.11613 0.80183 0.30957 1.0000 + Sb Sb328 1.0 0.11613 0.92683 0.30957 1.0000 + Sb Sb329 1.0 0.24113 0.05183 0.30957 1.0000 + Sb Sb330 1.0 0.24113 0.17683 0.30957 1.0000 + Sb Sb331 1.0 0.24113 0.30183 0.30957 1.0000 + Sb Sb332 1.0 0.24113 0.42683 0.30957 1.0000 + Sb Sb333 1.0 0.24113 0.55183 0.30957 1.0000 + Sb Sb334 1.0 0.24113 0.67683 0.30957 1.0000 + Sb Sb335 1.0 0.24113 0.80183 0.30957 1.0000 + Sb Sb336 1.0 0.24113 0.92683 0.30957 1.0000 + Sb Sb337 1.0 0.36613 0.05183 0.30957 1.0000 + Sb Sb338 1.0 0.36613 0.17683 0.30957 1.0000 + Sb Sb339 1.0 0.36613 0.30183 0.30957 1.0000 + Sb Sb340 1.0 0.36613 0.42683 0.30957 1.0000 + Sb Sb341 1.0 0.36613 0.55183 0.30957 1.0000 + Sb Sb342 1.0 0.36613 0.67683 0.30957 1.0000 + Sb Sb343 1.0 0.36613 0.80183 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0.74113 0.55183 0.30957 1.0000 + Sb Sb366 1.0 0.74113 0.67683 0.30957 1.0000 + Sb Sb367 1.0 0.74113 0.80183 0.30957 1.0000 + Sb Sb368 1.0 0.74113 0.92683 0.30957 1.0000 + Sb Sb369 1.0 0.86613 0.05183 0.30957 1.0000 + Sb Sb370 1.0 0.86613 0.17683 0.30957 1.0000 + Sb Sb371 1.0 0.86613 0.30183 0.30957 1.0000 + Sb Sb372 1.0 0.86613 0.42683 0.30957 1.0000 + Sb Sb373 1.0 0.86613 0.55183 0.30957 1.0000 + Sb Sb374 1.0 0.86613 0.67683 0.30957 1.0000 + Sb Sb375 1.0 0.86613 0.80183 0.30957 1.0000 + Sb Sb376 1.0 0.86613 0.92683 0.30957 1.0000 + Sb Sb377 1.0 0.99113 0.05183 0.30957 1.0000 + Sb Sb378 1.0 0.99113 0.17683 0.30957 1.0000 + Sb Sb379 1.0 0.99113 0.30183 0.30957 1.0000 + Sb Sb380 1.0 0.99113 0.42683 0.30957 1.0000 + Sb Sb381 1.0 0.99113 0.55183 0.30957 1.0000 + Sb Sb382 1.0 0.99113 0.67683 0.30957 1.0000 + Sb Sb383 1.0 0.99113 0.80183 0.30957 1.0000 + Sb Sb384 1.0 0.99113 0.92683 0.30957 1.0000 + Sb Sb385 1.0 0.11614 0.11433 0.69040 1.0000 + Sb Sb386 1.0 0.11614 0.23933 0.69040 1.0000 + Sb Sb387 1.0 0.11614 0.36433 0.69040 1.0000 + Sb Sb388 1.0 0.11614 0.48933 0.69040 1.0000 + Sb Sb389 1.0 0.11614 0.61433 0.69040 1.0000 + Sb Sb390 1.0 0.11614 0.73933 0.69040 1.0000 + Sb Sb391 1.0 0.11614 0.86433 0.69040 1.0000 + Sb Sb392 1.0 0.11614 0.98933 0.69040 1.0000 + Sb Sb393 1.0 0.24114 0.11433 0.69040 1.0000 + Sb Sb394 1.0 0.24114 0.23933 0.69040 1.0000 + Sb Sb395 1.0 0.24114 0.36433 0.69040 1.0000 + Sb Sb396 1.0 0.24114 0.48933 0.69040 1.0000 + Sb Sb397 1.0 0.24114 0.61433 0.69040 1.0000 + Sb Sb398 1.0 0.24114 0.73933 0.69040 1.0000 + Sb Sb399 1.0 0.24114 0.86433 0.69040 1.0000 + Sb Sb400 1.0 0.24114 0.98933 0.69040 1.0000 + Sb Sb401 1.0 0.36614 0.11433 0.69040 1.0000 + Sb Sb402 1.0 0.36614 0.23933 0.69040 1.0000 + Sb Sb403 1.0 0.36614 0.36433 0.69040 1.0000 + Sb Sb404 1.0 0.36614 0.48933 0.69040 1.0000 + Sb Sb405 1.0 0.36614 0.61433 0.69040 1.0000 + Sb Sb406 1.0 0.36614 0.73933 0.69040 1.0000 + Sb Sb407 1.0 0.36614 0.86433 0.69040 1.0000 + Sb Sb408 1.0 0.36614 0.98933 0.69040 1.0000 + Sb Sb409 1.0 0.49114 0.11433 0.69040 1.0000 + Sb Sb410 1.0 0.49114 0.23933 0.69040 1.0000 + Sb Sb411 1.0 0.49114 0.36433 0.69040 1.0000 + Sb Sb412 1.0 0.49114 0.48933 0.69040 1.0000 + Sb Sb413 1.0 0.49114 0.61433 0.69040 1.0000 + Sb Sb414 1.0 0.49114 0.73933 0.69040 1.0000 + Sb Sb415 1.0 0.49114 0.86433 0.69040 1.0000 + Sb Sb416 1.0 0.49114 0.98933 0.69040 1.0000 + Sb Sb417 1.0 0.61614 0.11433 0.69040 1.0000 + Sb Sb418 1.0 0.61614 0.23933 0.69040 1.0000 + Sb Sb419 1.0 0.61614 0.36433 0.69040 1.0000 + Sb Sb420 1.0 0.61614 0.48933 0.69040 1.0000 + Sb Sb421 1.0 0.61614 0.61433 0.69040 1.0000 + Sb Sb422 1.0 0.61614 0.73933 0.69040 1.0000 + Sb Sb423 1.0 0.61614 0.86433 0.69040 1.0000 + Sb Sb424 1.0 0.61614 0.98933 0.69040 1.0000 + Sb Sb425 1.0 0.74114 0.11433 0.69040 1.0000 + Sb Sb426 1.0 0.74114 0.23933 0.69040 1.0000 + Sb Sb427 1.0 0.74114 0.36433 0.69040 1.0000 + Sb Sb428 1.0 0.74114 0.48933 0.69040 1.0000 + Sb Sb429 1.0 0.74114 0.61433 0.69040 1.0000 + Sb Sb430 1.0 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0.24866 0.56833 1.0000 + O O915 1.0 0.29831 0.37366 0.56833 1.0000 + O O916 1.0 0.29831 0.49866 0.56833 1.0000 + O O917 1.0 0.29831 0.62366 0.56833 1.0000 + O O918 1.0 0.29831 0.74866 0.56833 1.0000 + O O919 1.0 0.29831 0.87366 0.56833 1.0000 + O O920 1.0 0.29831 0.99866 0.56833 1.0000 + O O921 1.0 0.42331 0.12366 0.56833 1.0000 + O O922 1.0 0.42331 0.24866 0.56833 1.0000 + O O923 1.0 0.42331 0.37366 0.56833 1.0000 + O O924 1.0 0.42331 0.49866 0.56833 1.0000 + O O925 1.0 0.42331 0.62366 0.56833 1.0000 + O O926 1.0 0.42331 0.74866 0.56833 1.0000 + O O927 1.0 0.42331 0.87366 0.56833 1.0000 + O O928 1.0 0.42331 0.99866 0.56833 1.0000 + O O929 1.0 0.54831 0.12366 0.56833 1.0000 + O O930 1.0 0.54831 0.24866 0.56833 1.0000 + O O931 1.0 0.54831 0.37366 0.56833 1.0000 + O O932 1.0 0.54831 0.49866 0.56833 1.0000 + O O933 1.0 0.54831 0.62366 0.56833 1.0000 + O O934 1.0 0.54831 0.74866 0.56833 1.0000 + O O935 1.0 0.54831 0.87366 0.56833 1.0000 + O O936 1.0 0.54831 0.99866 0.56833 1.0000 + O O937 1.0 0.67331 0.12366 0.56833 1.0000 + O O938 1.0 0.67331 0.24866 0.56833 1.0000 + O O939 1.0 0.67331 0.37366 0.56833 1.0000 + O O940 1.0 0.67331 0.49866 0.56833 1.0000 + O O941 1.0 0.67331 0.62366 0.56833 1.0000 + O O942 1.0 0.67331 0.74866 0.56833 1.0000 + O O943 1.0 0.67331 0.87366 0.56833 1.0000 + O O944 1.0 0.67331 0.99866 0.56833 1.0000 + O O945 1.0 0.79831 0.12366 0.56833 1.0000 + O O946 1.0 0.79831 0.24866 0.56833 1.0000 + O O947 1.0 0.79831 0.37366 0.56833 1.0000 + O O948 1.0 0.79831 0.49866 0.56833 1.0000 + O O949 1.0 0.79831 0.62366 0.56833 1.0000 + O O950 1.0 0.79831 0.74866 0.56833 1.0000 + O O951 1.0 0.79831 0.87366 0.56833 1.0000 + O O952 1.0 0.79831 0.99866 0.56833 1.0000 + O O953 1.0 0.92331 0.12366 0.56833 1.0000 + O O954 1.0 0.92331 0.24866 0.56833 1.0000 + O O955 1.0 0.92331 0.37366 0.56833 1.0000 + O O956 1.0 0.92331 0.49866 0.56833 1.0000 + O O957 1.0 0.92331 0.62366 0.56833 1.0000 + O O958 1.0 0.92331 0.74866 0.56833 1.0000 + O O959 1.0 0.92331 0.87366 0.56833 1.0000 + O O960 1.0 0.92331 0.99866 0.56833 1.0000 + O O961 1.0 0.04831 0.06117 0.43154 1.0000 + O O962 1.0 0.04831 0.18617 0.43154 1.0000 + O O963 1.0 0.04831 0.31117 0.43154 1.0000 + O O964 1.0 0.04831 0.43617 0.43154 1.0000 + O O965 1.0 0.04831 0.56117 0.43154 1.0000 + O O966 1.0 0.04831 0.68617 0.43154 1.0000 + O O967 1.0 0.04831 0.81117 0.43154 1.0000 + O O968 1.0 0.04831 0.93617 0.43154 1.0000 + O O969 1.0 0.17331 0.06117 0.43154 1.0000 + O O970 1.0 0.17331 0.18617 0.43154 1.0000 + O O971 1.0 0.17331 0.31117 0.43154 1.0000 + O O972 1.0 0.17331 0.43617 0.43154 1.0000 + O O973 1.0 0.17331 0.56117 0.43154 1.0000 + O O974 1.0 0.17331 0.68617 0.43154 1.0000 + O O975 1.0 0.17331 0.81117 0.43154 1.0000 + O O976 1.0 0.17331 0.93617 0.43154 1.0000 + O O977 1.0 0.29831 0.06117 0.43154 1.0000 + O O978 1.0 0.29831 0.18617 0.43154 1.0000 + O O979 1.0 0.29831 0.31117 0.43154 1.0000 + O O980 1.0 0.29831 0.43617 0.43154 1.0000 + O O981 1.0 0.29831 0.56117 0.43154 1.0000 + O O982 1.0 0.29831 0.68617 0.43154 1.0000 + O O983 1.0 0.29831 0.81117 0.43154 1.0000 + O O984 1.0 0.29831 0.93617 0.43154 1.0000 + O O985 1.0 0.42331 0.06117 0.43154 1.0000 + O O986 1.0 0.42331 0.18617 0.43154 1.0000 + O O987 1.0 0.42331 0.31117 0.43154 1.0000 + O O988 1.0 0.42331 0.43617 0.43154 1.0000 + O O989 1.0 0.42331 0.56117 0.43154 1.0000 + O O990 1.0 0.42331 0.68617 0.43154 1.0000 + O O991 1.0 0.42331 0.81117 0.43154 1.0000 + O O992 1.0 0.42331 0.93617 0.43154 1.0000 + O O993 1.0 0.54831 0.06117 0.43154 1.0000 + O O994 1.0 0.54831 0.18617 0.43154 1.0000 + O O995 1.0 0.54831 0.31117 0.43154 1.0000 + O O996 1.0 0.54831 0.43617 0.43154 1.0000 + O O997 1.0 0.54831 0.56117 0.43154 1.0000 + O O998 1.0 0.54831 0.68617 0.43154 1.0000 + O O999 1.0 0.54831 0.81117 0.43154 1.0000 + O O1000 1.0 0.54831 0.93617 0.43154 1.0000 + O O1001 1.0 0.67331 0.06117 0.43154 1.0000 + O O1002 1.0 0.67331 0.18617 0.43154 1.0000 + O O1003 1.0 0.67331 0.31117 0.43154 1.0000 + O O1004 1.0 0.67331 0.43617 0.43154 1.0000 + O O1005 1.0 0.67331 0.56117 0.43154 1.0000 + O O1006 1.0 0.67331 0.68617 0.43154 1.0000 + O O1007 1.0 0.67331 0.81117 0.43154 1.0000 + O O1008 1.0 0.67331 0.93617 0.43154 1.0000 + O O1009 1.0 0.79831 0.06117 0.43154 1.0000 + O O1010 1.0 0.79831 0.18617 0.43154 1.0000 + O O1011 1.0 0.79831 0.31117 0.43154 1.0000 + O O1012 1.0 0.79831 0.43617 0.43154 1.0000 + O O1013 1.0 0.79831 0.56117 0.43154 1.0000 + O O1014 1.0 0.79831 0.68617 0.43154 1.0000 + O O1015 1.0 0.79831 0.81117 0.43154 1.0000 + O O1016 1.0 0.79831 0.93617 0.43154 1.0000 + O O1017 1.0 0.92331 0.06117 0.43154 1.0000 + O O1018 1.0 0.92331 0.18617 0.43154 1.0000 + O O1019 1.0 0.92331 0.31117 0.43154 1.0000 + O O1020 1.0 0.92331 0.43617 0.43154 1.0000 + O O1021 1.0 0.92331 0.56117 0.43154 1.0000 + O O1022 1.0 0.92331 0.68617 0.43154 1.0000 + O O1023 1.0 0.92331 0.81117 0.43154 1.0000 + O O1024 1.0 0.92331 0.93617 0.43154 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5100_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5100_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..1856ba5014e8670e20beb8434ba8a0c0f6743367 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5100_supercell_12x12x1.cif @@ -0,0 +1,1897 @@ +data_image0 +_chemical_formula_structural Zn288Sn432O1152 +_chemical_formula_sum "Zn288 Sn432 O1152" +_cell_length_a 65.7137 +_cell_length_b 76.2073 +_cell_length_c 6.81106 +_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 0.02904 0.04167 0.70636 1.0000 + Zn Zn2 1.0 0.02904 0.12500 0.70636 1.0000 + Zn Zn3 1.0 0.02904 0.20833 0.70636 1.0000 + Zn Zn4 1.0 0.02904 0.29167 0.70636 1.0000 + Zn Zn5 1.0 0.02904 0.37500 0.70636 1.0000 + Zn Zn6 1.0 0.02904 0.45833 0.70636 1.0000 + Zn Zn7 1.0 0.02904 0.54167 0.70636 1.0000 + Zn Zn8 1.0 0.02904 0.62500 0.70636 1.0000 + Zn Zn9 1.0 0.02904 0.70833 0.70636 1.0000 + Zn Zn10 1.0 0.02904 0.79167 0.70636 1.0000 + Zn Zn11 1.0 0.02904 0.87500 0.70636 1.0000 + Zn Zn12 1.0 0.02904 0.95833 0.70636 1.0000 + Zn Zn13 1.0 0.11237 0.04167 0.70636 1.0000 + Zn Zn14 1.0 0.11237 0.12500 0.70636 1.0000 + Zn Zn15 1.0 0.11237 0.20833 0.70636 1.0000 + Zn Zn16 1.0 0.11237 0.29167 0.70636 1.0000 + Zn Zn17 1.0 0.11237 0.37500 0.70636 1.0000 + Zn Zn18 1.0 0.11237 0.45833 0.70636 1.0000 + Zn Zn19 1.0 0.11237 0.54167 0.70636 1.0000 + Zn Zn20 1.0 0.11237 0.62500 0.70636 1.0000 + Zn Zn21 1.0 0.11237 0.70833 0.70636 1.0000 + Zn Zn22 1.0 0.11237 0.79167 0.70636 1.0000 + Zn Zn23 1.0 0.11237 0.87500 0.70636 1.0000 + Zn Zn24 1.0 0.11237 0.95833 0.70636 1.0000 + Zn Zn25 1.0 0.19570 0.04167 0.70636 1.0000 + Zn Zn26 1.0 0.19570 0.12500 0.70636 1.0000 + Zn Zn27 1.0 0.19570 0.20833 0.70636 1.0000 + Zn Zn28 1.0 0.19570 0.29167 0.70636 1.0000 + Zn Zn29 1.0 0.19570 0.37500 0.70636 1.0000 + Zn Zn30 1.0 0.19570 0.45833 0.70636 1.0000 + Zn Zn31 1.0 0.19570 0.54167 0.70636 1.0000 + Zn Zn32 1.0 0.19570 0.62500 0.70636 1.0000 + Zn Zn33 1.0 0.19570 0.70833 0.70636 1.0000 + Zn Zn34 1.0 0.19570 0.79167 0.70636 1.0000 + Zn Zn35 1.0 0.19570 0.87500 0.70636 1.0000 + Zn Zn36 1.0 0.19570 0.95833 0.70636 1.0000 + Zn Zn37 1.0 0.27904 0.04167 0.70636 1.0000 + Zn Zn38 1.0 0.27904 0.12500 0.70636 1.0000 + Zn Zn39 1.0 0.27904 0.20833 0.70636 1.0000 + Zn Zn40 1.0 0.27904 0.29167 0.70636 1.0000 + Zn Zn41 1.0 0.27904 0.37500 0.70636 1.0000 + Zn Zn42 1.0 0.27904 0.45833 0.70636 1.0000 + Zn Zn43 1.0 0.27904 0.54167 0.70636 1.0000 + Zn Zn44 1.0 0.27904 0.62500 0.70636 1.0000 + Zn Zn45 1.0 0.27904 0.70833 0.70636 1.0000 + Zn Zn46 1.0 0.27904 0.79167 0.70636 1.0000 + Zn Zn47 1.0 0.27904 0.87500 0.70636 1.0000 + Zn Zn48 1.0 0.27904 0.95833 0.70636 1.0000 + Zn Zn49 1.0 0.36237 0.04167 0.70636 1.0000 + Zn Zn50 1.0 0.36237 0.12500 0.70636 1.0000 + Zn Zn51 1.0 0.36237 0.20833 0.70636 1.0000 + Zn Zn52 1.0 0.36237 0.29167 0.70636 1.0000 + Zn Zn53 1.0 0.36237 0.37500 0.70636 1.0000 + Zn Zn54 1.0 0.36237 0.45833 0.70636 1.0000 + Zn Zn55 1.0 0.36237 0.54167 0.70636 1.0000 + Zn Zn56 1.0 0.36237 0.62500 0.70636 1.0000 + Zn Zn57 1.0 0.36237 0.70833 0.70636 1.0000 + Zn Zn58 1.0 0.36237 0.79167 0.70636 1.0000 + Zn Zn59 1.0 0.36237 0.87500 0.70636 1.0000 + Zn Zn60 1.0 0.36237 0.95833 0.70636 1.0000 + Zn Zn61 1.0 0.44570 0.04167 0.70636 1.0000 + Zn Zn62 1.0 0.44570 0.12500 0.70636 1.0000 + Zn Zn63 1.0 0.44570 0.20833 0.70636 1.0000 + Zn Zn64 1.0 0.44570 0.29167 0.70636 1.0000 + Zn Zn65 1.0 0.44570 0.37500 0.70636 1.0000 + Zn Zn66 1.0 0.44570 0.45833 0.70636 1.0000 + Zn Zn67 1.0 0.44570 0.54167 0.70636 1.0000 + Zn Zn68 1.0 0.44570 0.62500 0.70636 1.0000 + Zn Zn69 1.0 0.44570 0.70833 0.70636 1.0000 + Zn Zn70 1.0 0.44570 0.79167 0.70636 1.0000 + Zn Zn71 1.0 0.44570 0.87500 0.70636 1.0000 + Zn Zn72 1.0 0.44570 0.95833 0.70636 1.0000 + Zn Zn73 1.0 0.52904 0.04167 0.70636 1.0000 + Zn Zn74 1.0 0.52904 0.12500 0.70636 1.0000 + Zn Zn75 1.0 0.52904 0.20833 0.70636 1.0000 + Zn Zn76 1.0 0.52904 0.29167 0.70636 1.0000 + Zn Zn77 1.0 0.52904 0.37500 0.70636 1.0000 + Zn Zn78 1.0 0.52904 0.45833 0.70636 1.0000 + Zn Zn79 1.0 0.52904 0.54167 0.70636 1.0000 + Zn Zn80 1.0 0.52904 0.62500 0.70636 1.0000 + Zn Zn81 1.0 0.52904 0.70833 0.70636 1.0000 + Zn Zn82 1.0 0.52904 0.79167 0.70636 1.0000 + Zn Zn83 1.0 0.52904 0.87500 0.70636 1.0000 + Zn Zn84 1.0 0.52904 0.95833 0.70636 1.0000 + Zn Zn85 1.0 0.61237 0.04167 0.70636 1.0000 + Zn Zn86 1.0 0.61237 0.12500 0.70636 1.0000 + Zn Zn87 1.0 0.61237 0.20833 0.70636 1.0000 + Zn Zn88 1.0 0.61237 0.29167 0.70636 1.0000 + Zn Zn89 1.0 0.61237 0.37500 0.70636 1.0000 + Zn Zn90 1.0 0.61237 0.45833 0.70636 1.0000 + Zn Zn91 1.0 0.61237 0.54167 0.70636 1.0000 + Zn Zn92 1.0 0.61237 0.62500 0.70636 1.0000 + Zn Zn93 1.0 0.61237 0.70833 0.70636 1.0000 + Zn Zn94 1.0 0.61237 0.79167 0.70636 1.0000 + Zn Zn95 1.0 0.61237 0.87500 0.70636 1.0000 + Zn Zn96 1.0 0.61237 0.95833 0.70636 1.0000 + Zn Zn97 1.0 0.69570 0.04167 0.70636 1.0000 + Zn Zn98 1.0 0.69570 0.12500 0.70636 1.0000 + Zn Zn99 1.0 0.69570 0.20833 0.70636 1.0000 + Zn Zn100 1.0 0.69570 0.29167 0.70636 1.0000 + Zn Zn101 1.0 0.69570 0.37500 0.70636 1.0000 + Zn Zn102 1.0 0.69570 0.45833 0.70636 1.0000 + Zn Zn103 1.0 0.69570 0.54167 0.70636 1.0000 + Zn Zn104 1.0 0.69570 0.62500 0.70636 1.0000 + Zn Zn105 1.0 0.69570 0.70833 0.70636 1.0000 + Zn Zn106 1.0 0.69570 0.79167 0.70636 1.0000 + Zn Zn107 1.0 0.69570 0.87500 0.70636 1.0000 + Zn Zn108 1.0 0.69570 0.95833 0.70636 1.0000 + Zn Zn109 1.0 0.77904 0.04167 0.70636 1.0000 + Zn Zn110 1.0 0.77904 0.12500 0.70636 1.0000 + Zn Zn111 1.0 0.77904 0.20833 0.70636 1.0000 + Zn Zn112 1.0 0.77904 0.29167 0.70636 1.0000 + Zn Zn113 1.0 0.77904 0.37500 0.70636 1.0000 + Zn Zn114 1.0 0.77904 0.45833 0.70636 1.0000 + Zn Zn115 1.0 0.77904 0.54167 0.70636 1.0000 + Zn Zn116 1.0 0.77904 0.62500 0.70636 1.0000 + Zn Zn117 1.0 0.77904 0.70833 0.70636 1.0000 + Zn Zn118 1.0 0.77904 0.79167 0.70636 1.0000 + Zn Zn119 1.0 0.77904 0.87500 0.70636 1.0000 + Zn Zn120 1.0 0.77904 0.95833 0.70636 1.0000 + Zn Zn121 1.0 0.86237 0.04167 0.70636 1.0000 + Zn Zn122 1.0 0.86237 0.12500 0.70636 1.0000 + Zn Zn123 1.0 0.86237 0.20833 0.70636 1.0000 + Zn Zn124 1.0 0.86237 0.29167 0.70636 1.0000 + Zn Zn125 1.0 0.86237 0.37500 0.70636 1.0000 + Zn Zn126 1.0 0.86237 0.45833 0.70636 1.0000 + Zn Zn127 1.0 0.86237 0.54167 0.70636 1.0000 + Zn Zn128 1.0 0.86237 0.62500 0.70636 1.0000 + Zn Zn129 1.0 0.86237 0.70833 0.70636 1.0000 + Zn Zn130 1.0 0.86237 0.79167 0.70636 1.0000 + Zn Zn131 1.0 0.86237 0.87500 0.70636 1.0000 + Zn Zn132 1.0 0.86237 0.95833 0.70636 1.0000 + Zn Zn133 1.0 0.94570 0.04167 0.70636 1.0000 + Zn Zn134 1.0 0.94570 0.12500 0.70636 1.0000 + Zn Zn135 1.0 0.94570 0.20833 0.70636 1.0000 + Zn Zn136 1.0 0.94570 0.29167 0.70636 1.0000 + Zn Zn137 1.0 0.94570 0.37500 0.70636 1.0000 + Zn Zn138 1.0 0.94570 0.45833 0.70636 1.0000 + Zn Zn139 1.0 0.94570 0.54167 0.70636 1.0000 + Zn Zn140 1.0 0.94570 0.62500 0.70636 1.0000 + Zn Zn141 1.0 0.94570 0.70833 0.70636 1.0000 + Zn Zn142 1.0 0.94570 0.79167 0.70636 1.0000 + Zn Zn143 1.0 0.94570 0.87500 0.70636 1.0000 + Zn Zn144 1.0 0.94570 0.95833 0.70636 1.0000 + Zn Zn145 1.0 0.02902 0.04167 0.29364 1.0000 + Zn Zn146 1.0 0.02902 0.12500 0.29364 1.0000 + Zn Zn147 1.0 0.02902 0.20833 0.29364 1.0000 + Zn Zn148 1.0 0.02902 0.29167 0.29364 1.0000 + Zn Zn149 1.0 0.02902 0.37500 0.29364 1.0000 + Zn Zn150 1.0 0.02902 0.45833 0.29364 1.0000 + Zn Zn151 1.0 0.02902 0.54167 0.29364 1.0000 + Zn Zn152 1.0 0.02902 0.62500 0.29364 1.0000 + Zn Zn153 1.0 0.02902 0.70833 0.29364 1.0000 + Zn Zn154 1.0 0.02902 0.79167 0.29364 1.0000 + Zn Zn155 1.0 0.02902 0.87500 0.29364 1.0000 + Zn Zn156 1.0 0.02902 0.95833 0.29364 1.0000 + Zn Zn157 1.0 0.11235 0.04167 0.29364 1.0000 + Zn Zn158 1.0 0.11235 0.12500 0.29364 1.0000 + Zn Zn159 1.0 0.11235 0.20833 0.29364 1.0000 + Zn Zn160 1.0 0.11235 0.29167 0.29364 1.0000 + Zn Zn161 1.0 0.11235 0.37500 0.29364 1.0000 + Zn Zn162 1.0 0.11235 0.45833 0.29364 1.0000 + Zn Zn163 1.0 0.11235 0.54167 0.29364 1.0000 + Zn Zn164 1.0 0.11235 0.62500 0.29364 1.0000 + Zn Zn165 1.0 0.11235 0.70833 0.29364 1.0000 + Zn Zn166 1.0 0.11235 0.79167 0.29364 1.0000 + Zn Zn167 1.0 0.11235 0.87500 0.29364 1.0000 + Zn Zn168 1.0 0.11235 0.95833 0.29364 1.0000 + Zn Zn169 1.0 0.19568 0.04167 0.29364 1.0000 + Zn Zn170 1.0 0.19568 0.12500 0.29364 1.0000 + Zn Zn171 1.0 0.19568 0.20833 0.29364 1.0000 + Zn Zn172 1.0 0.19568 0.29167 0.29364 1.0000 + Zn Zn173 1.0 0.19568 0.37500 0.29364 1.0000 + Zn Zn174 1.0 0.19568 0.45833 0.29364 1.0000 + Zn Zn175 1.0 0.19568 0.54167 0.29364 1.0000 + Zn Zn176 1.0 0.19568 0.62500 0.29364 1.0000 + Zn Zn177 1.0 0.19568 0.70833 0.29364 1.0000 + Zn Zn178 1.0 0.19568 0.79167 0.29364 1.0000 + Zn Zn179 1.0 0.19568 0.87500 0.29364 1.0000 + Zn Zn180 1.0 0.19568 0.95833 0.29364 1.0000 + Zn Zn181 1.0 0.27902 0.04167 0.29364 1.0000 + Zn Zn182 1.0 0.27902 0.12500 0.29364 1.0000 + Zn Zn183 1.0 0.27902 0.20833 0.29364 1.0000 + Zn Zn184 1.0 0.27902 0.29167 0.29364 1.0000 + Zn Zn185 1.0 0.27902 0.37500 0.29364 1.0000 + Zn Zn186 1.0 0.27902 0.45833 0.29364 1.0000 + Zn Zn187 1.0 0.27902 0.54167 0.29364 1.0000 + Zn Zn188 1.0 0.27902 0.62500 0.29364 1.0000 + Zn Zn189 1.0 0.27902 0.70833 0.29364 1.0000 + Zn Zn190 1.0 0.27902 0.79167 0.29364 1.0000 + Zn Zn191 1.0 0.27902 0.87500 0.29364 1.0000 + Zn Zn192 1.0 0.27902 0.95833 0.29364 1.0000 + Zn Zn193 1.0 0.36235 0.04167 0.29364 1.0000 + Zn Zn194 1.0 0.36235 0.12500 0.29364 1.0000 + Zn Zn195 1.0 0.36235 0.20833 0.29364 1.0000 + Zn Zn196 1.0 0.36235 0.29167 0.29364 1.0000 + Zn Zn197 1.0 0.36235 0.37500 0.29364 1.0000 + Zn Zn198 1.0 0.36235 0.45833 0.29364 1.0000 + Zn Zn199 1.0 0.36235 0.54167 0.29364 1.0000 + Zn Zn200 1.0 0.36235 0.62500 0.29364 1.0000 + Zn Zn201 1.0 0.36235 0.70833 0.29364 1.0000 + Zn Zn202 1.0 0.36235 0.79167 0.29364 1.0000 + Zn Zn203 1.0 0.36235 0.87500 0.29364 1.0000 + Zn Zn204 1.0 0.36235 0.95833 0.29364 1.0000 + Zn Zn205 1.0 0.44568 0.04167 0.29364 1.0000 + Zn Zn206 1.0 0.44568 0.12500 0.29364 1.0000 + Zn Zn207 1.0 0.44568 0.20833 0.29364 1.0000 + Zn Zn208 1.0 0.44568 0.29167 0.29364 1.0000 + Zn Zn209 1.0 0.44568 0.37500 0.29364 1.0000 + Zn Zn210 1.0 0.44568 0.45833 0.29364 1.0000 + Zn Zn211 1.0 0.44568 0.54167 0.29364 1.0000 + Zn Zn212 1.0 0.44568 0.62500 0.29364 1.0000 + Zn Zn213 1.0 0.44568 0.70833 0.29364 1.0000 + Zn Zn214 1.0 0.44568 0.79167 0.29364 1.0000 + Zn Zn215 1.0 0.44568 0.87500 0.29364 1.0000 + Zn Zn216 1.0 0.44568 0.95833 0.29364 1.0000 + Zn Zn217 1.0 0.52902 0.04167 0.29364 1.0000 + Zn Zn218 1.0 0.52902 0.12500 0.29364 1.0000 + Zn Zn219 1.0 0.52902 0.20833 0.29364 1.0000 + Zn Zn220 1.0 0.52902 0.29167 0.29364 1.0000 + Zn Zn221 1.0 0.52902 0.37500 0.29364 1.0000 + Zn Zn222 1.0 0.52902 0.45833 0.29364 1.0000 + Zn Zn223 1.0 0.52902 0.54167 0.29364 1.0000 + Zn Zn224 1.0 0.52902 0.62500 0.29364 1.0000 + Zn Zn225 1.0 0.52902 0.70833 0.29364 1.0000 + Zn Zn226 1.0 0.52902 0.79167 0.29364 1.0000 + Zn Zn227 1.0 0.52902 0.87500 0.29364 1.0000 + Zn Zn228 1.0 0.52902 0.95833 0.29364 1.0000 + Zn Zn229 1.0 0.61235 0.04167 0.29364 1.0000 + Zn Zn230 1.0 0.61235 0.12500 0.29364 1.0000 + Zn Zn231 1.0 0.61235 0.20833 0.29364 1.0000 + Zn Zn232 1.0 0.61235 0.29167 0.29364 1.0000 + Zn Zn233 1.0 0.61235 0.37500 0.29364 1.0000 + Zn Zn234 1.0 0.61235 0.45833 0.29364 1.0000 + Zn Zn235 1.0 0.61235 0.54167 0.29364 1.0000 + Zn Zn236 1.0 0.61235 0.62500 0.29364 1.0000 + Zn Zn237 1.0 0.61235 0.70833 0.29364 1.0000 + Zn Zn238 1.0 0.61235 0.79167 0.29364 1.0000 + Zn Zn239 1.0 0.61235 0.87500 0.29364 1.0000 + Zn Zn240 1.0 0.61235 0.95833 0.29364 1.0000 + Zn Zn241 1.0 0.69568 0.04167 0.29364 1.0000 + Zn Zn242 1.0 0.69568 0.12500 0.29364 1.0000 + Zn Zn243 1.0 0.69568 0.20833 0.29364 1.0000 + Zn Zn244 1.0 0.69568 0.29167 0.29364 1.0000 + Zn Zn245 1.0 0.69568 0.37500 0.29364 1.0000 + Zn Zn246 1.0 0.69568 0.45833 0.29364 1.0000 + Zn Zn247 1.0 0.69568 0.54167 0.29364 1.0000 + Zn Zn248 1.0 0.69568 0.62500 0.29364 1.0000 + Zn Zn249 1.0 0.69568 0.70833 0.29364 1.0000 + Zn Zn250 1.0 0.69568 0.79167 0.29364 1.0000 + Zn Zn251 1.0 0.69568 0.87500 0.29364 1.0000 + Zn Zn252 1.0 0.69568 0.95833 0.29364 1.0000 + Zn Zn253 1.0 0.77902 0.04167 0.29364 1.0000 + Zn Zn254 1.0 0.77902 0.12500 0.29364 1.0000 + Zn Zn255 1.0 0.77902 0.20833 0.29364 1.0000 + Zn Zn256 1.0 0.77902 0.29167 0.29364 1.0000 + Zn Zn257 1.0 0.77902 0.37500 0.29364 1.0000 + Zn Zn258 1.0 0.77902 0.45833 0.29364 1.0000 + Zn Zn259 1.0 0.77902 0.54167 0.29364 1.0000 + Zn Zn260 1.0 0.77902 0.62500 0.29364 1.0000 + Zn Zn261 1.0 0.77902 0.70833 0.29364 1.0000 + Zn Zn262 1.0 0.77902 0.79167 0.29364 1.0000 + Zn Zn263 1.0 0.77902 0.87500 0.29364 1.0000 + Zn Zn264 1.0 0.77902 0.95833 0.29364 1.0000 + Zn Zn265 1.0 0.86235 0.04167 0.29364 1.0000 + Zn Zn266 1.0 0.86235 0.12500 0.29364 1.0000 + Zn Zn267 1.0 0.86235 0.20833 0.29364 1.0000 + Zn Zn268 1.0 0.86235 0.29167 0.29364 1.0000 + Zn Zn269 1.0 0.86235 0.37500 0.29364 1.0000 + Zn Zn270 1.0 0.86235 0.45833 0.29364 1.0000 + Zn Zn271 1.0 0.86235 0.54167 0.29364 1.0000 + Zn Zn272 1.0 0.86235 0.62500 0.29364 1.0000 + Zn Zn273 1.0 0.86235 0.70833 0.29364 1.0000 + Zn Zn274 1.0 0.86235 0.79167 0.29364 1.0000 + Zn Zn275 1.0 0.86235 0.87500 0.29364 1.0000 + Zn Zn276 1.0 0.86235 0.95833 0.29364 1.0000 + Zn Zn277 1.0 0.94568 0.04167 0.29364 1.0000 + Zn Zn278 1.0 0.94568 0.12500 0.29364 1.0000 + Zn Zn279 1.0 0.94568 0.20833 0.29364 1.0000 + Zn Zn280 1.0 0.94568 0.29167 0.29364 1.0000 + Zn Zn281 1.0 0.94568 0.37500 0.29364 1.0000 + Zn Zn282 1.0 0.94568 0.45833 0.29364 1.0000 + Zn Zn283 1.0 0.94568 0.54167 0.29364 1.0000 + Zn Zn284 1.0 0.94568 0.62500 0.29364 1.0000 + Zn Zn285 1.0 0.94568 0.70833 0.29364 1.0000 + Zn Zn286 1.0 0.94568 0.79167 0.29364 1.0000 + Zn Zn287 1.0 0.94568 0.87500 0.29364 1.0000 + Zn Zn288 1.0 0.94568 0.95833 0.29364 1.0000 + Sn Sn1 1.0 0.02903 0.00000 0.50000 1.0000 + Sn Sn2 1.0 0.02903 0.08333 0.50000 1.0000 + Sn Sn3 1.0 0.02903 0.16667 0.50000 1.0000 + Sn Sn4 1.0 0.02903 0.25000 0.50000 1.0000 + Sn Sn5 1.0 0.02903 0.33333 0.50000 1.0000 + Sn Sn6 1.0 0.02903 0.41667 0.50000 1.0000 + Sn Sn7 1.0 0.02903 0.50000 0.50000 1.0000 + Sn Sn8 1.0 0.02903 0.58333 0.50000 1.0000 + Sn Sn9 1.0 0.02903 0.66667 0.50000 1.0000 + Sn Sn10 1.0 0.02903 0.75000 0.50000 1.0000 + Sn Sn11 1.0 0.02903 0.83333 0.50000 1.0000 + Sn Sn12 1.0 0.02903 0.91667 0.50000 1.0000 + Sn Sn13 1.0 0.11236 0.00000 0.50000 1.0000 + Sn Sn14 1.0 0.11236 0.08333 0.50000 1.0000 + Sn Sn15 1.0 0.11236 0.16667 0.50000 1.0000 + Sn Sn16 1.0 0.11236 0.25000 0.50000 1.0000 + Sn Sn17 1.0 0.11236 0.33333 0.50000 1.0000 + Sn Sn18 1.0 0.11236 0.41667 0.50000 1.0000 + Sn Sn19 1.0 0.11236 0.50000 0.50000 1.0000 + Sn Sn20 1.0 0.11236 0.58333 0.50000 1.0000 + Sn Sn21 1.0 0.11236 0.66667 0.50000 1.0000 + Sn Sn22 1.0 0.11236 0.75000 0.50000 1.0000 + Sn Sn23 1.0 0.11236 0.83333 0.50000 1.0000 + Sn Sn24 1.0 0.11236 0.91667 0.50000 1.0000 + Sn Sn25 1.0 0.19569 0.00000 0.50000 1.0000 + Sn Sn26 1.0 0.19569 0.08333 0.50000 1.0000 + Sn Sn27 1.0 0.19569 0.16667 0.50000 1.0000 + Sn Sn28 1.0 0.19569 0.25000 0.50000 1.0000 + Sn Sn29 1.0 0.19569 0.33333 0.50000 1.0000 + Sn Sn30 1.0 0.19569 0.41667 0.50000 1.0000 + Sn Sn31 1.0 0.19569 0.50000 0.50000 1.0000 + Sn Sn32 1.0 0.19569 0.58333 0.50000 1.0000 + Sn Sn33 1.0 0.19569 0.66667 0.50000 1.0000 + Sn Sn34 1.0 0.19569 0.75000 0.50000 1.0000 + Sn Sn35 1.0 0.19569 0.83333 0.50000 1.0000 + Sn Sn36 1.0 0.19569 0.91667 0.50000 1.0000 + Sn Sn37 1.0 0.27903 0.00000 0.50000 1.0000 + Sn Sn38 1.0 0.27903 0.08333 0.50000 1.0000 + Sn Sn39 1.0 0.27903 0.16667 0.50000 1.0000 + Sn Sn40 1.0 0.27903 0.25000 0.50000 1.0000 + Sn Sn41 1.0 0.27903 0.33333 0.50000 1.0000 + Sn Sn42 1.0 0.27903 0.41667 0.50000 1.0000 + Sn Sn43 1.0 0.27903 0.50000 0.50000 1.0000 + Sn Sn44 1.0 0.27903 0.58333 0.50000 1.0000 + Sn Sn45 1.0 0.27903 0.66667 0.50000 1.0000 + Sn Sn46 1.0 0.27903 0.75000 0.50000 1.0000 + Sn Sn47 1.0 0.27903 0.83333 0.50000 1.0000 + Sn Sn48 1.0 0.27903 0.91667 0.50000 1.0000 + Sn Sn49 1.0 0.36236 0.00000 0.50000 1.0000 + Sn Sn50 1.0 0.36236 0.08333 0.50000 1.0000 + Sn Sn51 1.0 0.36236 0.16667 0.50000 1.0000 + Sn Sn52 1.0 0.36236 0.25000 0.50000 1.0000 + Sn Sn53 1.0 0.36236 0.33333 0.50000 1.0000 + Sn Sn54 1.0 0.36236 0.41667 0.50000 1.0000 + Sn Sn55 1.0 0.36236 0.50000 0.50000 1.0000 + Sn Sn56 1.0 0.36236 0.58333 0.50000 1.0000 + Sn Sn57 1.0 0.36236 0.66667 0.50000 1.0000 + Sn Sn58 1.0 0.36236 0.75000 0.50000 1.0000 + Sn Sn59 1.0 0.36236 0.83333 0.50000 1.0000 + Sn Sn60 1.0 0.36236 0.91667 0.50000 1.0000 + Sn Sn61 1.0 0.44569 0.00000 0.50000 1.0000 + Sn Sn62 1.0 0.44569 0.08333 0.50000 1.0000 + Sn Sn63 1.0 0.44569 0.16667 0.50000 1.0000 + Sn Sn64 1.0 0.44569 0.25000 0.50000 1.0000 + Sn Sn65 1.0 0.44569 0.33333 0.50000 1.0000 + Sn Sn66 1.0 0.44569 0.41667 0.50000 1.0000 + Sn Sn67 1.0 0.44569 0.50000 0.50000 1.0000 + Sn Sn68 1.0 0.44569 0.58333 0.50000 1.0000 + Sn Sn69 1.0 0.44569 0.66667 0.50000 1.0000 + Sn Sn70 1.0 0.44569 0.75000 0.50000 1.0000 + Sn Sn71 1.0 0.44569 0.83333 0.50000 1.0000 + Sn Sn72 1.0 0.44569 0.91667 0.50000 1.0000 + Sn Sn73 1.0 0.52903 0.00000 0.50000 1.0000 + Sn Sn74 1.0 0.52903 0.08333 0.50000 1.0000 + Sn Sn75 1.0 0.52903 0.16667 0.50000 1.0000 + Sn Sn76 1.0 0.52903 0.25000 0.50000 1.0000 + Sn Sn77 1.0 0.52903 0.33333 0.50000 1.0000 + Sn Sn78 1.0 0.52903 0.41667 0.50000 1.0000 + Sn Sn79 1.0 0.52903 0.50000 0.50000 1.0000 + Sn Sn80 1.0 0.52903 0.58333 0.50000 1.0000 + Sn Sn81 1.0 0.52903 0.66667 0.50000 1.0000 + Sn Sn82 1.0 0.52903 0.75000 0.50000 1.0000 + Sn Sn83 1.0 0.52903 0.83333 0.50000 1.0000 + Sn Sn84 1.0 0.52903 0.91667 0.50000 1.0000 + Sn Sn85 1.0 0.61236 0.00000 0.50000 1.0000 + Sn Sn86 1.0 0.61236 0.08333 0.50000 1.0000 + Sn Sn87 1.0 0.61236 0.16667 0.50000 1.0000 + Sn Sn88 1.0 0.61236 0.25000 0.50000 1.0000 + Sn Sn89 1.0 0.61236 0.33333 0.50000 1.0000 + Sn Sn90 1.0 0.61236 0.41667 0.50000 1.0000 + Sn Sn91 1.0 0.61236 0.50000 0.50000 1.0000 + Sn Sn92 1.0 0.61236 0.58333 0.50000 1.0000 + Sn Sn93 1.0 0.61236 0.66667 0.50000 1.0000 + Sn Sn94 1.0 0.61236 0.75000 0.50000 1.0000 + Sn Sn95 1.0 0.61236 0.83333 0.50000 1.0000 + Sn Sn96 1.0 0.61236 0.91667 0.50000 1.0000 + Sn Sn97 1.0 0.69569 0.00000 0.50000 1.0000 + Sn Sn98 1.0 0.69569 0.08333 0.50000 1.0000 + Sn Sn99 1.0 0.69569 0.16667 0.50000 1.0000 + Sn Sn100 1.0 0.69569 0.25000 0.50000 1.0000 + Sn Sn101 1.0 0.69569 0.33333 0.50000 1.0000 + Sn Sn102 1.0 0.69569 0.41667 0.50000 1.0000 + Sn Sn103 1.0 0.69569 0.50000 0.50000 1.0000 + Sn Sn104 1.0 0.69569 0.58333 0.50000 1.0000 + Sn Sn105 1.0 0.69569 0.66667 0.50000 1.0000 + Sn Sn106 1.0 0.69569 0.75000 0.50000 1.0000 + Sn Sn107 1.0 0.69569 0.83333 0.50000 1.0000 + Sn Sn108 1.0 0.69569 0.91667 0.50000 1.0000 + Sn Sn109 1.0 0.77903 0.00000 0.50000 1.0000 + Sn Sn110 1.0 0.77903 0.08333 0.50000 1.0000 + Sn Sn111 1.0 0.77903 0.16667 0.50000 1.0000 + Sn Sn112 1.0 0.77903 0.25000 0.50000 1.0000 + Sn Sn113 1.0 0.77903 0.33333 0.50000 1.0000 + Sn Sn114 1.0 0.77903 0.41667 0.50000 1.0000 + Sn Sn115 1.0 0.77903 0.50000 0.50000 1.0000 + Sn Sn116 1.0 0.77903 0.58333 0.50000 1.0000 + Sn Sn117 1.0 0.77903 0.66667 0.50000 1.0000 + Sn Sn118 1.0 0.77903 0.75000 0.50000 1.0000 + Sn Sn119 1.0 0.77903 0.83333 0.50000 1.0000 + Sn Sn120 1.0 0.77903 0.91667 0.50000 1.0000 + Sn Sn121 1.0 0.86236 0.00000 0.50000 1.0000 + Sn Sn122 1.0 0.86236 0.08333 0.50000 1.0000 + Sn Sn123 1.0 0.86236 0.16667 0.50000 1.0000 + Sn Sn124 1.0 0.86236 0.25000 0.50000 1.0000 + Sn Sn125 1.0 0.86236 0.33333 0.50000 1.0000 + Sn Sn126 1.0 0.86236 0.41667 0.50000 1.0000 + Sn Sn127 1.0 0.86236 0.50000 0.50000 1.0000 + Sn Sn128 1.0 0.86236 0.58333 0.50000 1.0000 + Sn Sn129 1.0 0.86236 0.66667 0.50000 1.0000 + Sn Sn130 1.0 0.86236 0.75000 0.50000 1.0000 + Sn Sn131 1.0 0.86236 0.83333 0.50000 1.0000 + Sn Sn132 1.0 0.86236 0.91667 0.50000 1.0000 + Sn Sn133 1.0 0.94569 0.00000 0.50000 1.0000 + Sn Sn134 1.0 0.94569 0.08333 0.50000 1.0000 + Sn Sn135 1.0 0.94569 0.16667 0.50000 1.0000 + Sn Sn136 1.0 0.94569 0.25000 0.50000 1.0000 + Sn Sn137 1.0 0.94569 0.33333 0.50000 1.0000 + Sn Sn138 1.0 0.94569 0.41667 0.50000 1.0000 + Sn Sn139 1.0 0.94569 0.50000 0.50000 1.0000 + Sn Sn140 1.0 0.94569 0.58333 0.50000 1.0000 + Sn Sn141 1.0 0.94569 0.66667 0.50000 1.0000 + Sn Sn142 1.0 0.94569 0.75000 0.50000 1.0000 + Sn Sn143 1.0 0.94569 0.83333 0.50000 1.0000 + Sn Sn144 1.0 0.94569 0.91667 0.50000 1.0000 + Sn Sn145 1.0 0.07069 0.02119 0.50000 1.0000 + Sn Sn146 1.0 0.07069 0.10452 0.50000 1.0000 + Sn Sn147 1.0 0.07069 0.18786 0.50000 1.0000 + Sn Sn148 1.0 0.07069 0.27119 0.50000 1.0000 + Sn Sn149 1.0 0.07069 0.35452 0.50000 1.0000 + Sn Sn150 1.0 0.07069 0.43786 0.50000 1.0000 + Sn Sn151 1.0 0.07069 0.52119 0.50000 1.0000 + Sn Sn152 1.0 0.07069 0.60452 0.50000 1.0000 + Sn Sn153 1.0 0.07069 0.68786 0.50000 1.0000 + Sn Sn154 1.0 0.07069 0.77119 0.50000 1.0000 + Sn Sn155 1.0 0.07069 0.85452 0.50000 1.0000 + Sn Sn156 1.0 0.07069 0.93786 0.50000 1.0000 + Sn Sn157 1.0 0.15403 0.02119 0.50000 1.0000 + Sn Sn158 1.0 0.15403 0.10452 0.50000 1.0000 + Sn Sn159 1.0 0.15403 0.18786 0.50000 1.0000 + Sn Sn160 1.0 0.15403 0.27119 0.50000 1.0000 + Sn Sn161 1.0 0.15403 0.35452 0.50000 1.0000 + Sn Sn162 1.0 0.15403 0.43786 0.50000 1.0000 + Sn Sn163 1.0 0.15403 0.52119 0.50000 1.0000 + Sn Sn164 1.0 0.15403 0.60452 0.50000 1.0000 + Sn Sn165 1.0 0.15403 0.68786 0.50000 1.0000 + Sn Sn166 1.0 0.15403 0.77119 0.50000 1.0000 + Sn Sn167 1.0 0.15403 0.85452 0.50000 1.0000 + Sn Sn168 1.0 0.15403 0.93786 0.50000 1.0000 + Sn Sn169 1.0 0.23736 0.02119 0.50000 1.0000 + Sn Sn170 1.0 0.23736 0.10452 0.50000 1.0000 + Sn Sn171 1.0 0.23736 0.18786 0.50000 1.0000 + Sn Sn172 1.0 0.23736 0.27119 0.50000 1.0000 + Sn Sn173 1.0 0.23736 0.35452 0.50000 1.0000 + Sn Sn174 1.0 0.23736 0.43786 0.50000 1.0000 + Sn Sn175 1.0 0.23736 0.52119 0.50000 1.0000 + Sn Sn176 1.0 0.23736 0.60452 0.50000 1.0000 + Sn Sn177 1.0 0.23736 0.68786 0.50000 1.0000 + Sn Sn178 1.0 0.23736 0.77119 0.50000 1.0000 + Sn Sn179 1.0 0.23736 0.85452 0.50000 1.0000 + Sn Sn180 1.0 0.23736 0.93786 0.50000 1.0000 + Sn Sn181 1.0 0.32069 0.02119 0.50000 1.0000 + Sn Sn182 1.0 0.32069 0.10452 0.50000 1.0000 + Sn Sn183 1.0 0.32069 0.18786 0.50000 1.0000 + Sn Sn184 1.0 0.32069 0.27119 0.50000 1.0000 + Sn Sn185 1.0 0.32069 0.35452 0.50000 1.0000 + Sn Sn186 1.0 0.32069 0.43786 0.50000 1.0000 + Sn Sn187 1.0 0.32069 0.52119 0.50000 1.0000 + Sn Sn188 1.0 0.32069 0.60452 0.50000 1.0000 + Sn Sn189 1.0 0.32069 0.68786 0.50000 1.0000 + Sn Sn190 1.0 0.32069 0.77119 0.50000 1.0000 + Sn Sn191 1.0 0.32069 0.85452 0.50000 1.0000 + Sn Sn192 1.0 0.32069 0.93786 0.50000 1.0000 + Sn Sn193 1.0 0.40403 0.02119 0.50000 1.0000 + Sn Sn194 1.0 0.40403 0.10452 0.50000 1.0000 + Sn Sn195 1.0 0.40403 0.18786 0.50000 1.0000 + Sn Sn196 1.0 0.40403 0.27119 0.50000 1.0000 + Sn Sn197 1.0 0.40403 0.35452 0.50000 1.0000 + Sn Sn198 1.0 0.40403 0.43786 0.50000 1.0000 + Sn Sn199 1.0 0.40403 0.52119 0.50000 1.0000 + Sn Sn200 1.0 0.40403 0.60452 0.50000 1.0000 + Sn Sn201 1.0 0.40403 0.68786 0.50000 1.0000 + Sn Sn202 1.0 0.40403 0.77119 0.50000 1.0000 + Sn Sn203 1.0 0.40403 0.85452 0.50000 1.0000 + Sn Sn204 1.0 0.40403 0.93786 0.50000 1.0000 + Sn Sn205 1.0 0.48736 0.02119 0.50000 1.0000 + Sn Sn206 1.0 0.48736 0.10452 0.50000 1.0000 + Sn Sn207 1.0 0.48736 0.18786 0.50000 1.0000 + Sn Sn208 1.0 0.48736 0.27119 0.50000 1.0000 + Sn Sn209 1.0 0.48736 0.35452 0.50000 1.0000 + Sn Sn210 1.0 0.48736 0.43786 0.50000 1.0000 + Sn Sn211 1.0 0.48736 0.52119 0.50000 1.0000 + Sn Sn212 1.0 0.48736 0.60452 0.50000 1.0000 + Sn Sn213 1.0 0.48736 0.68786 0.50000 1.0000 + Sn Sn214 1.0 0.48736 0.77119 0.50000 1.0000 + Sn Sn215 1.0 0.48736 0.85452 0.50000 1.0000 + Sn Sn216 1.0 0.48736 0.93786 0.50000 1.0000 + Sn Sn217 1.0 0.57069 0.02119 0.50000 1.0000 + Sn Sn218 1.0 0.57069 0.10452 0.50000 1.0000 + Sn Sn219 1.0 0.57069 0.18786 0.50000 1.0000 + Sn Sn220 1.0 0.57069 0.27119 0.50000 1.0000 + Sn Sn221 1.0 0.57069 0.35452 0.50000 1.0000 + Sn Sn222 1.0 0.57069 0.43786 0.50000 1.0000 + Sn Sn223 1.0 0.57069 0.52119 0.50000 1.0000 + Sn Sn224 1.0 0.57069 0.60452 0.50000 1.0000 + Sn Sn225 1.0 0.57069 0.68786 0.50000 1.0000 + Sn Sn226 1.0 0.57069 0.77119 0.50000 1.0000 + Sn Sn227 1.0 0.57069 0.85452 0.50000 1.0000 + Sn Sn228 1.0 0.57069 0.93786 0.50000 1.0000 + Sn Sn229 1.0 0.65403 0.02119 0.50000 1.0000 + Sn Sn230 1.0 0.65403 0.10452 0.50000 1.0000 + Sn Sn231 1.0 0.65403 0.18786 0.50000 1.0000 + Sn Sn232 1.0 0.65403 0.27119 0.50000 1.0000 + Sn Sn233 1.0 0.65403 0.35452 0.50000 1.0000 + Sn Sn234 1.0 0.65403 0.43786 0.50000 1.0000 + Sn Sn235 1.0 0.65403 0.52119 0.50000 1.0000 + Sn Sn236 1.0 0.65403 0.60452 0.50000 1.0000 + Sn Sn237 1.0 0.65403 0.68786 0.50000 1.0000 + Sn Sn238 1.0 0.65403 0.77119 0.50000 1.0000 + Sn Sn239 1.0 0.65403 0.85452 0.50000 1.0000 + Sn Sn240 1.0 0.65403 0.93786 0.50000 1.0000 + Sn Sn241 1.0 0.73736 0.02119 0.50000 1.0000 + Sn Sn242 1.0 0.73736 0.10452 0.50000 1.0000 + Sn Sn243 1.0 0.73736 0.18786 0.50000 1.0000 + Sn Sn244 1.0 0.73736 0.27119 0.50000 1.0000 + Sn Sn245 1.0 0.73736 0.35452 0.50000 1.0000 + Sn Sn246 1.0 0.73736 0.43786 0.50000 1.0000 + Sn Sn247 1.0 0.73736 0.52119 0.50000 1.0000 + Sn Sn248 1.0 0.73736 0.60452 0.50000 1.0000 + Sn Sn249 1.0 0.73736 0.68786 0.50000 1.0000 + Sn Sn250 1.0 0.73736 0.77119 0.50000 1.0000 + Sn Sn251 1.0 0.73736 0.85452 0.50000 1.0000 + Sn Sn252 1.0 0.73736 0.93786 0.50000 1.0000 + Sn Sn253 1.0 0.82069 0.02119 0.50000 1.0000 + Sn Sn254 1.0 0.82069 0.10452 0.50000 1.0000 + Sn Sn255 1.0 0.82069 0.18786 0.50000 1.0000 + Sn Sn256 1.0 0.82069 0.27119 0.50000 1.0000 + Sn Sn257 1.0 0.82069 0.35452 0.50000 1.0000 + Sn Sn258 1.0 0.82069 0.43786 0.50000 1.0000 + Sn Sn259 1.0 0.82069 0.52119 0.50000 1.0000 + Sn Sn260 1.0 0.82069 0.60452 0.50000 1.0000 + Sn Sn261 1.0 0.82069 0.68786 0.50000 1.0000 + Sn Sn262 1.0 0.82069 0.77119 0.50000 1.0000 + Sn Sn263 1.0 0.82069 0.85452 0.50000 1.0000 + Sn Sn264 1.0 0.82069 0.93786 0.50000 1.0000 + Sn Sn265 1.0 0.90403 0.02119 0.50000 1.0000 + Sn Sn266 1.0 0.90403 0.10452 0.50000 1.0000 + Sn Sn267 1.0 0.90403 0.18786 0.50000 1.0000 + Sn Sn268 1.0 0.90403 0.27119 0.50000 1.0000 + Sn Sn269 1.0 0.90403 0.35452 0.50000 1.0000 + Sn Sn270 1.0 0.90403 0.43786 0.50000 1.0000 + Sn Sn271 1.0 0.90403 0.52119 0.50000 1.0000 + Sn Sn272 1.0 0.90403 0.60452 0.50000 1.0000 + Sn Sn273 1.0 0.90403 0.68786 0.50000 1.0000 + Sn Sn274 1.0 0.90403 0.77119 0.50000 1.0000 + Sn Sn275 1.0 0.90403 0.85452 0.50000 1.0000 + Sn Sn276 1.0 0.90403 0.93786 0.50000 1.0000 + Sn Sn277 1.0 0.98736 0.02119 0.50000 1.0000 + Sn Sn278 1.0 0.98736 0.10452 0.50000 1.0000 + Sn Sn279 1.0 0.98736 0.18786 0.50000 1.0000 + Sn Sn280 1.0 0.98736 0.27119 0.50000 1.0000 + Sn Sn281 1.0 0.98736 0.35452 0.50000 1.0000 + Sn Sn282 1.0 0.98736 0.43786 0.50000 1.0000 + Sn Sn283 1.0 0.98736 0.52119 0.50000 1.0000 + Sn Sn284 1.0 0.98736 0.60452 0.50000 1.0000 + Sn Sn285 1.0 0.98736 0.68786 0.50000 1.0000 + Sn Sn286 1.0 0.98736 0.77119 0.50000 1.0000 + Sn Sn287 1.0 0.98736 0.85452 0.50000 1.0000 + Sn Sn288 1.0 0.98736 0.93786 0.50000 1.0000 + Sn Sn289 1.0 0.07069 0.06214 0.50000 1.0000 + Sn Sn290 1.0 0.07069 0.14548 0.50000 1.0000 + Sn Sn291 1.0 0.07069 0.22881 0.50000 1.0000 + Sn Sn292 1.0 0.07069 0.31214 0.50000 1.0000 + Sn Sn293 1.0 0.07069 0.39548 0.50000 1.0000 + Sn Sn294 1.0 0.07069 0.47881 0.50000 1.0000 + Sn Sn295 1.0 0.07069 0.56214 0.50000 1.0000 + Sn Sn296 1.0 0.07069 0.64548 0.50000 1.0000 + Sn Sn297 1.0 0.07069 0.72881 0.50000 1.0000 + Sn Sn298 1.0 0.07069 0.81214 0.50000 1.0000 + Sn Sn299 1.0 0.07069 0.89548 0.50000 1.0000 + Sn Sn300 1.0 0.07069 0.97881 0.50000 1.0000 + Sn Sn301 1.0 0.15403 0.06214 0.50000 1.0000 + Sn Sn302 1.0 0.15403 0.14548 0.50000 1.0000 + Sn Sn303 1.0 0.15403 0.22881 0.50000 1.0000 + Sn Sn304 1.0 0.15403 0.31214 0.50000 1.0000 + Sn Sn305 1.0 0.15403 0.39548 0.50000 1.0000 + Sn Sn306 1.0 0.15403 0.47881 0.50000 1.0000 + Sn Sn307 1.0 0.15403 0.56214 0.50000 1.0000 + Sn Sn308 1.0 0.15403 0.64548 0.50000 1.0000 + Sn Sn309 1.0 0.15403 0.72881 0.50000 1.0000 + Sn Sn310 1.0 0.15403 0.81214 0.50000 1.0000 + Sn Sn311 1.0 0.15403 0.89548 0.50000 1.0000 + Sn Sn312 1.0 0.15403 0.97881 0.50000 1.0000 + Sn Sn313 1.0 0.23736 0.06214 0.50000 1.0000 + Sn Sn314 1.0 0.23736 0.14548 0.50000 1.0000 + Sn Sn315 1.0 0.23736 0.22881 0.50000 1.0000 + Sn Sn316 1.0 0.23736 0.31214 0.50000 1.0000 + Sn Sn317 1.0 0.23736 0.39548 0.50000 1.0000 + Sn Sn318 1.0 0.23736 0.47881 0.50000 1.0000 + Sn Sn319 1.0 0.23736 0.56214 0.50000 1.0000 + Sn Sn320 1.0 0.23736 0.64548 0.50000 1.0000 + Sn Sn321 1.0 0.23736 0.72881 0.50000 1.0000 + Sn Sn322 1.0 0.23736 0.81214 0.50000 1.0000 + Sn Sn323 1.0 0.23736 0.89548 0.50000 1.0000 + Sn Sn324 1.0 0.23736 0.97881 0.50000 1.0000 + Sn Sn325 1.0 0.32069 0.06214 0.50000 1.0000 + Sn Sn326 1.0 0.32069 0.14548 0.50000 1.0000 + Sn Sn327 1.0 0.32069 0.22881 0.50000 1.0000 + Sn Sn328 1.0 0.32069 0.31214 0.50000 1.0000 + Sn Sn329 1.0 0.32069 0.39548 0.50000 1.0000 + Sn Sn330 1.0 0.32069 0.47881 0.50000 1.0000 + Sn Sn331 1.0 0.32069 0.56214 0.50000 1.0000 + Sn Sn332 1.0 0.32069 0.64548 0.50000 1.0000 + Sn Sn333 1.0 0.32069 0.72881 0.50000 1.0000 + Sn Sn334 1.0 0.32069 0.81214 0.50000 1.0000 + Sn Sn335 1.0 0.32069 0.89548 0.50000 1.0000 + Sn Sn336 1.0 0.32069 0.97881 0.50000 1.0000 + Sn Sn337 1.0 0.40403 0.06214 0.50000 1.0000 + Sn Sn338 1.0 0.40403 0.14548 0.50000 1.0000 + Sn Sn339 1.0 0.40403 0.22881 0.50000 1.0000 + Sn Sn340 1.0 0.40403 0.31214 0.50000 1.0000 + Sn Sn341 1.0 0.40403 0.39548 0.50000 1.0000 + Sn Sn342 1.0 0.40403 0.47881 0.50000 1.0000 + Sn Sn343 1.0 0.40403 0.56214 0.50000 1.0000 + Sn Sn344 1.0 0.40403 0.64548 0.50000 1.0000 + Sn Sn345 1.0 0.40403 0.72881 0.50000 1.0000 + Sn Sn346 1.0 0.40403 0.81214 0.50000 1.0000 + Sn Sn347 1.0 0.40403 0.89548 0.50000 1.0000 + Sn Sn348 1.0 0.40403 0.97881 0.50000 1.0000 + Sn Sn349 1.0 0.48736 0.06214 0.50000 1.0000 + Sn Sn350 1.0 0.48736 0.14548 0.50000 1.0000 + Sn Sn351 1.0 0.48736 0.22881 0.50000 1.0000 + Sn Sn352 1.0 0.48736 0.31214 0.50000 1.0000 + Sn Sn353 1.0 0.48736 0.39548 0.50000 1.0000 + Sn Sn354 1.0 0.48736 0.47881 0.50000 1.0000 + Sn Sn355 1.0 0.48736 0.56214 0.50000 1.0000 + Sn Sn356 1.0 0.48736 0.64548 0.50000 1.0000 + Sn Sn357 1.0 0.48736 0.72881 0.50000 1.0000 + Sn Sn358 1.0 0.48736 0.81214 0.50000 1.0000 + Sn Sn359 1.0 0.48736 0.89548 0.50000 1.0000 + Sn Sn360 1.0 0.48736 0.97881 0.50000 1.0000 + Sn Sn361 1.0 0.57069 0.06214 0.50000 1.0000 + Sn Sn362 1.0 0.57069 0.14548 0.50000 1.0000 + Sn Sn363 1.0 0.57069 0.22881 0.50000 1.0000 + Sn Sn364 1.0 0.57069 0.31214 0.50000 1.0000 + Sn Sn365 1.0 0.57069 0.39548 0.50000 1.0000 + Sn Sn366 1.0 0.57069 0.47881 0.50000 1.0000 + Sn Sn367 1.0 0.57069 0.56214 0.50000 1.0000 + Sn Sn368 1.0 0.57069 0.64548 0.50000 1.0000 + Sn Sn369 1.0 0.57069 0.72881 0.50000 1.0000 + Sn Sn370 1.0 0.57069 0.81214 0.50000 1.0000 + Sn Sn371 1.0 0.57069 0.89548 0.50000 1.0000 + Sn Sn372 1.0 0.57069 0.97881 0.50000 1.0000 + Sn Sn373 1.0 0.65403 0.06214 0.50000 1.0000 + Sn Sn374 1.0 0.65403 0.14548 0.50000 1.0000 + Sn Sn375 1.0 0.65403 0.22881 0.50000 1.0000 + Sn Sn376 1.0 0.65403 0.31214 0.50000 1.0000 + Sn Sn377 1.0 0.65403 0.39548 0.50000 1.0000 + Sn Sn378 1.0 0.65403 0.47881 0.50000 1.0000 + Sn Sn379 1.0 0.65403 0.56214 0.50000 1.0000 + Sn Sn380 1.0 0.65403 0.64548 0.50000 1.0000 + Sn Sn381 1.0 0.65403 0.72881 0.50000 1.0000 + Sn Sn382 1.0 0.65403 0.81214 0.50000 1.0000 + Sn Sn383 1.0 0.65403 0.89548 0.50000 1.0000 + Sn Sn384 1.0 0.65403 0.97881 0.50000 1.0000 + Sn Sn385 1.0 0.73736 0.06214 0.50000 1.0000 + Sn Sn386 1.0 0.73736 0.14548 0.50000 1.0000 + Sn Sn387 1.0 0.73736 0.22881 0.50000 1.0000 + Sn Sn388 1.0 0.73736 0.31214 0.50000 1.0000 + Sn Sn389 1.0 0.73736 0.39548 0.50000 1.0000 + Sn Sn390 1.0 0.73736 0.47881 0.50000 1.0000 + Sn Sn391 1.0 0.73736 0.56214 0.50000 1.0000 + Sn Sn392 1.0 0.73736 0.64548 0.50000 1.0000 + Sn Sn393 1.0 0.73736 0.72881 0.50000 1.0000 + Sn Sn394 1.0 0.73736 0.81214 0.50000 1.0000 + Sn Sn395 1.0 0.73736 0.89548 0.50000 1.0000 + Sn Sn396 1.0 0.73736 0.97881 0.50000 1.0000 + Sn Sn397 1.0 0.82069 0.06214 0.50000 1.0000 + Sn Sn398 1.0 0.82069 0.14548 0.50000 1.0000 + Sn Sn399 1.0 0.82069 0.22881 0.50000 1.0000 + Sn Sn400 1.0 0.82069 0.31214 0.50000 1.0000 + Sn Sn401 1.0 0.82069 0.39548 0.50000 1.0000 + Sn Sn402 1.0 0.82069 0.47881 0.50000 1.0000 + Sn Sn403 1.0 0.82069 0.56214 0.50000 1.0000 + Sn Sn404 1.0 0.82069 0.64548 0.50000 1.0000 + Sn Sn405 1.0 0.82069 0.72881 0.50000 1.0000 + Sn Sn406 1.0 0.82069 0.81214 0.50000 1.0000 + Sn Sn407 1.0 0.82069 0.89548 0.50000 1.0000 + Sn Sn408 1.0 0.82069 0.97881 0.50000 1.0000 + Sn Sn409 1.0 0.90403 0.06214 0.50000 1.0000 + Sn Sn410 1.0 0.90403 0.14548 0.50000 1.0000 + Sn Sn411 1.0 0.90403 0.22881 0.50000 1.0000 + Sn Sn412 1.0 0.90403 0.31214 0.50000 1.0000 + Sn Sn413 1.0 0.90403 0.39548 0.50000 1.0000 + Sn Sn414 1.0 0.90403 0.47881 0.50000 1.0000 + Sn Sn415 1.0 0.90403 0.56214 0.50000 1.0000 + Sn Sn416 1.0 0.90403 0.64548 0.50000 1.0000 + Sn Sn417 1.0 0.90403 0.72881 0.50000 1.0000 + Sn Sn418 1.0 0.90403 0.81214 0.50000 1.0000 + Sn Sn419 1.0 0.90403 0.89548 0.50000 1.0000 + Sn Sn420 1.0 0.90403 0.97881 0.50000 1.0000 + Sn Sn421 1.0 0.98736 0.06214 0.50000 1.0000 + Sn Sn422 1.0 0.98736 0.14548 0.50000 1.0000 + Sn Sn423 1.0 0.98736 0.22881 0.50000 1.0000 + Sn Sn424 1.0 0.98736 0.31214 0.50000 1.0000 + Sn Sn425 1.0 0.98736 0.39548 0.50000 1.0000 + Sn Sn426 1.0 0.98736 0.47881 0.50000 1.0000 + Sn Sn427 1.0 0.98736 0.56214 0.50000 1.0000 + Sn Sn428 1.0 0.98736 0.64548 0.50000 1.0000 + Sn Sn429 1.0 0.98736 0.72881 0.50000 1.0000 + Sn Sn430 1.0 0.98736 0.81214 0.50000 1.0000 + Sn Sn431 1.0 0.98736 0.89548 0.50000 1.0000 + Sn Sn432 1.0 0.98736 0.97881 0.50000 1.0000 + O O1 1.0 0.05832 0.04167 0.33273 1.0000 + O O2 1.0 0.05832 0.12500 0.33273 1.0000 + O O3 1.0 0.05832 0.20833 0.33273 1.0000 + O O4 1.0 0.05832 0.29167 0.33273 1.0000 + O O5 1.0 0.05832 0.37500 0.33273 1.0000 + O O6 1.0 0.05832 0.45833 0.33273 1.0000 + O O7 1.0 0.05832 0.54167 0.33273 1.0000 + O O8 1.0 0.05832 0.62500 0.33273 1.0000 + O O9 1.0 0.05832 0.70833 0.33273 1.0000 + O O10 1.0 0.05832 0.79167 0.33273 1.0000 + O O11 1.0 0.05832 0.87500 0.33273 1.0000 + O O12 1.0 0.05832 0.95833 0.33273 1.0000 + O O13 1.0 0.14165 0.04167 0.33273 1.0000 + O O14 1.0 0.14165 0.12500 0.33273 1.0000 + O O15 1.0 0.14165 0.20833 0.33273 1.0000 + O O16 1.0 0.14165 0.29167 0.33273 1.0000 + O O17 1.0 0.14165 0.37500 0.33273 1.0000 + O O18 1.0 0.14165 0.45833 0.33273 1.0000 + O O19 1.0 0.14165 0.54167 0.33273 1.0000 + O O20 1.0 0.14165 0.62500 0.33273 1.0000 + O O21 1.0 0.14165 0.70833 0.33273 1.0000 + O O22 1.0 0.14165 0.79167 0.33273 1.0000 + O O23 1.0 0.14165 0.87500 0.33273 1.0000 + O O24 1.0 0.14165 0.95833 0.33273 1.0000 + O O25 1.0 0.22498 0.04167 0.33273 1.0000 + O O26 1.0 0.22498 0.12500 0.33273 1.0000 + O O27 1.0 0.22498 0.20833 0.33273 1.0000 + O O28 1.0 0.22498 0.29167 0.33273 1.0000 + O O29 1.0 0.22498 0.37500 0.33273 1.0000 + O O30 1.0 0.22498 0.45833 0.33273 1.0000 + O O31 1.0 0.22498 0.54167 0.33273 1.0000 + O O32 1.0 0.22498 0.62500 0.33273 1.0000 + O O33 1.0 0.22498 0.70833 0.33273 1.0000 + O O34 1.0 0.22498 0.79167 0.33273 1.0000 + O O35 1.0 0.22498 0.87500 0.33273 1.0000 + O O36 1.0 0.22498 0.95833 0.33273 1.0000 + O O37 1.0 0.30832 0.04167 0.33273 1.0000 + O O38 1.0 0.30832 0.12500 0.33273 1.0000 + O O39 1.0 0.30832 0.20833 0.33273 1.0000 + O O40 1.0 0.30832 0.29167 0.33273 1.0000 + O O41 1.0 0.30832 0.37500 0.33273 1.0000 + O O42 1.0 0.30832 0.45833 0.33273 1.0000 + O O43 1.0 0.30832 0.54167 0.33273 1.0000 + O O44 1.0 0.30832 0.62500 0.33273 1.0000 + O O45 1.0 0.30832 0.70833 0.33273 1.0000 + O O46 1.0 0.30832 0.79167 0.33273 1.0000 + O O47 1.0 0.30832 0.87500 0.33273 1.0000 + O O48 1.0 0.30832 0.95833 0.33273 1.0000 + O O49 1.0 0.39165 0.04167 0.33273 1.0000 + O O50 1.0 0.39165 0.12500 0.33273 1.0000 + O O51 1.0 0.39165 0.20833 0.33273 1.0000 + O O52 1.0 0.39165 0.29167 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0.99842 0.75000 0.29944 1.0000 + F F510 1.0 0.99842 0.81250 0.29944 1.0000 + F F511 1.0 0.99842 0.87500 0.29944 1.0000 + F F512 1.0 0.99842 0.93750 0.29944 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5116_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5116_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..45c1c7e598d914439a1c7312aadf22229db41c75 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5116_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural Sn512Se512 +_chemical_formula_sum "Sn512 Se512" +_cell_length_a 67.5963 +_cell_length_b 72.0963 +_cell_length_c 6.97587 +_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 0.02523 0.28670 1.0000 + Sn Sn2 1.0 0.00000 0.08773 0.28670 1.0000 + Sn Sn3 1.0 0.00000 0.15023 0.28670 1.0000 + Sn Sn4 1.0 0.00000 0.21273 0.28670 1.0000 + Sn Sn5 1.0 0.00000 0.27523 0.28670 1.0000 + Sn Sn6 1.0 0.00000 0.33773 0.28670 1.0000 + Sn Sn7 1.0 0.00000 0.40023 0.28670 1.0000 + Sn Sn8 1.0 0.00000 0.46273 0.28670 1.0000 + Sn Sn9 1.0 0.00000 0.52523 0.28670 1.0000 + Sn Sn10 1.0 0.00000 0.58773 0.28670 1.0000 + Sn Sn11 1.0 0.00000 0.65023 0.28670 1.0000 + Sn Sn12 1.0 0.00000 0.71273 0.28670 1.0000 + Sn Sn13 1.0 0.00000 0.77523 0.28670 1.0000 + Sn Sn14 1.0 0.00000 0.83773 0.28670 1.0000 + Sn Sn15 1.0 0.00000 0.90023 0.28670 1.0000 + Sn Sn16 1.0 0.00000 0.96273 0.28670 1.0000 + Sn Sn17 1.0 0.06250 0.02523 0.28670 1.0000 + Sn Sn18 1.0 0.06250 0.08773 0.28670 1.0000 + Sn Sn19 1.0 0.06250 0.15023 0.28670 1.0000 + Sn Sn20 1.0 0.06250 0.21273 0.28670 1.0000 + Sn Sn21 1.0 0.06250 0.27523 0.28670 1.0000 + Sn Sn22 1.0 0.06250 0.33773 0.28670 1.0000 + Sn Sn23 1.0 0.06250 0.40023 0.28670 1.0000 + Sn Sn24 1.0 0.06250 0.46273 0.28670 1.0000 + Sn Sn25 1.0 0.06250 0.52523 0.28670 1.0000 + Sn Sn26 1.0 0.06250 0.58773 0.28670 1.0000 + Sn Sn27 1.0 0.06250 0.65023 0.28670 1.0000 + Sn Sn28 1.0 0.06250 0.71273 0.28670 1.0000 + Sn Sn29 1.0 0.06250 0.77523 0.28670 1.0000 + Sn Sn30 1.0 0.06250 0.83773 0.28670 1.0000 + Sn Sn31 1.0 0.06250 0.90023 0.28670 1.0000 + Sn Sn32 1.0 0.06250 0.96273 0.28670 1.0000 + Sn Sn33 1.0 0.12500 0.02523 0.28670 1.0000 + Sn Sn34 1.0 0.12500 0.08773 0.28670 1.0000 + Sn Sn35 1.0 0.12500 0.15023 0.28670 1.0000 + Sn Sn36 1.0 0.12500 0.21273 0.28670 1.0000 + Sn Sn37 1.0 0.12500 0.27523 0.28670 1.0000 + Sn Sn38 1.0 0.12500 0.33773 0.28670 1.0000 + Sn Sn39 1.0 0.12500 0.40023 0.28670 1.0000 + Sn Sn40 1.0 0.12500 0.46273 0.28670 1.0000 + Sn Sn41 1.0 0.12500 0.52523 0.28670 1.0000 + Sn Sn42 1.0 0.12500 0.58773 0.28670 1.0000 + Sn Sn43 1.0 0.12500 0.65023 0.28670 1.0000 + Sn Sn44 1.0 0.12500 0.71273 0.28670 1.0000 + Sn Sn45 1.0 0.12500 0.77523 0.28670 1.0000 + Sn Sn46 1.0 0.12500 0.83773 0.28670 1.0000 + Sn Sn47 1.0 0.12500 0.90023 0.28670 1.0000 + Sn Sn48 1.0 0.12500 0.96273 0.28670 1.0000 + Sn Sn49 1.0 0.18750 0.02523 0.28670 1.0000 + Sn Sn50 1.0 0.18750 0.08773 0.28670 1.0000 + Sn Sn51 1.0 0.18750 0.15023 0.28670 1.0000 + Sn Sn52 1.0 0.18750 0.21273 0.28670 1.0000 + Sn Sn53 1.0 0.18750 0.27523 0.28670 1.0000 + Sn Sn54 1.0 0.18750 0.33773 0.28670 1.0000 + Sn Sn55 1.0 0.18750 0.40023 0.28670 1.0000 + Sn Sn56 1.0 0.18750 0.46273 0.28670 1.0000 + Sn Sn57 1.0 0.18750 0.52523 0.28670 1.0000 + Sn Sn58 1.0 0.18750 0.58773 0.28670 1.0000 + Sn Sn59 1.0 0.18750 0.65023 0.28670 1.0000 + Sn Sn60 1.0 0.18750 0.71273 0.28670 1.0000 + Sn Sn61 1.0 0.18750 0.77523 0.28670 1.0000 + Sn Sn62 1.0 0.18750 0.83773 0.28670 1.0000 + Sn Sn63 1.0 0.18750 0.90023 0.28670 1.0000 + Sn Sn64 1.0 0.18750 0.96273 0.28670 1.0000 + Sn Sn65 1.0 0.25000 0.02523 0.28670 1.0000 + Sn Sn66 1.0 0.25000 0.08773 0.28670 1.0000 + Sn Sn67 1.0 0.25000 0.15023 0.28670 1.0000 + Sn Sn68 1.0 0.25000 0.21273 0.28670 1.0000 + Sn Sn69 1.0 0.25000 0.27523 0.28670 1.0000 + Sn Sn70 1.0 0.25000 0.33773 0.28670 1.0000 + Sn Sn71 1.0 0.25000 0.40023 0.28670 1.0000 + Sn Sn72 1.0 0.25000 0.46273 0.28670 1.0000 + Sn Sn73 1.0 0.25000 0.52523 0.28670 1.0000 + Sn Sn74 1.0 0.25000 0.58773 0.28670 1.0000 + Sn Sn75 1.0 0.25000 0.65023 0.28670 1.0000 + Sn Sn76 1.0 0.25000 0.71273 0.28670 1.0000 + Sn Sn77 1.0 0.25000 0.77523 0.28670 1.0000 + Sn Sn78 1.0 0.25000 0.83773 0.28670 1.0000 + Sn Sn79 1.0 0.25000 0.90023 0.28670 1.0000 + Sn Sn80 1.0 0.25000 0.96273 0.28670 1.0000 + Sn Sn81 1.0 0.31250 0.02523 0.28670 1.0000 + Sn Sn82 1.0 0.31250 0.08773 0.28670 1.0000 + Sn Sn83 1.0 0.31250 0.15023 0.28670 1.0000 + Sn Sn84 1.0 0.31250 0.21273 0.28670 1.0000 + Sn Sn85 1.0 0.31250 0.27523 0.28670 1.0000 + Sn Sn86 1.0 0.31250 0.33773 0.28670 1.0000 + Sn Sn87 1.0 0.31250 0.40023 0.28670 1.0000 + Sn Sn88 1.0 0.31250 0.46273 0.28670 1.0000 + Sn Sn89 1.0 0.31250 0.52523 0.28670 1.0000 + Sn Sn90 1.0 0.31250 0.58773 0.28670 1.0000 + Sn Sn91 1.0 0.31250 0.65023 0.28670 1.0000 + Sn Sn92 1.0 0.31250 0.71273 0.28670 1.0000 + Sn Sn93 1.0 0.31250 0.77523 0.28670 1.0000 + Sn Sn94 1.0 0.31250 0.83773 0.28670 1.0000 + Sn Sn95 1.0 0.31250 0.90023 0.28670 1.0000 + Sn Sn96 1.0 0.31250 0.96273 0.28670 1.0000 + Sn Sn97 1.0 0.37500 0.02523 0.28670 1.0000 + Sn Sn98 1.0 0.37500 0.08773 0.28670 1.0000 + Sn Sn99 1.0 0.37500 0.15023 0.28670 1.0000 + Sn Sn100 1.0 0.37500 0.21273 0.28670 1.0000 + Sn Sn101 1.0 0.37500 0.27523 0.28670 1.0000 + Sn Sn102 1.0 0.37500 0.33773 0.28670 1.0000 + Sn Sn103 1.0 0.37500 0.40023 0.28670 1.0000 + Sn Sn104 1.0 0.37500 0.46273 0.28670 1.0000 + Sn Sn105 1.0 0.37500 0.52523 0.28670 1.0000 + Sn Sn106 1.0 0.37500 0.58773 0.28670 1.0000 + Sn Sn107 1.0 0.37500 0.65023 0.28670 1.0000 + Sn Sn108 1.0 0.37500 0.71273 0.28670 1.0000 + Sn Sn109 1.0 0.37500 0.77523 0.28670 1.0000 + Sn Sn110 1.0 0.37500 0.83773 0.28670 1.0000 + Sn Sn111 1.0 0.37500 0.90023 0.28670 1.0000 + Sn Sn112 1.0 0.37500 0.96273 0.28670 1.0000 + Sn Sn113 1.0 0.43750 0.02523 0.28670 1.0000 + Sn Sn114 1.0 0.43750 0.08773 0.28670 1.0000 + Sn Sn115 1.0 0.43750 0.15023 0.28670 1.0000 + Sn Sn116 1.0 0.43750 0.21273 0.28670 1.0000 + Sn Sn117 1.0 0.43750 0.27523 0.28670 1.0000 + Sn Sn118 1.0 0.43750 0.33773 0.28670 1.0000 + Sn Sn119 1.0 0.43750 0.40023 0.28670 1.0000 + Sn Sn120 1.0 0.43750 0.46273 0.28670 1.0000 + Sn Sn121 1.0 0.43750 0.52523 0.28670 1.0000 + Sn Sn122 1.0 0.43750 0.58773 0.28670 1.0000 + Sn Sn123 1.0 0.43750 0.65023 0.28670 1.0000 + Sn Sn124 1.0 0.43750 0.71273 0.28670 1.0000 + Sn Sn125 1.0 0.43750 0.77523 0.28670 1.0000 + Sn Sn126 1.0 0.43750 0.83773 0.28670 1.0000 + Sn Sn127 1.0 0.43750 0.90023 0.28670 1.0000 + Sn Sn128 1.0 0.43750 0.96273 0.28670 1.0000 + Sn Sn129 1.0 0.50000 0.02523 0.28670 1.0000 + Sn Sn130 1.0 0.50000 0.08773 0.28670 1.0000 + Sn Sn131 1.0 0.50000 0.15023 0.28670 1.0000 + Sn Sn132 1.0 0.50000 0.21273 0.28670 1.0000 + Sn Sn133 1.0 0.50000 0.27523 0.28670 1.0000 + Sn Sn134 1.0 0.50000 0.33773 0.28670 1.0000 + Sn Sn135 1.0 0.50000 0.40023 0.28670 1.0000 + Sn Sn136 1.0 0.50000 0.46273 0.28670 1.0000 + Sn Sn137 1.0 0.50000 0.52523 0.28670 1.0000 + Sn Sn138 1.0 0.50000 0.58773 0.28670 1.0000 + Sn Sn139 1.0 0.50000 0.65023 0.28670 1.0000 + Sn Sn140 1.0 0.50000 0.71273 0.28670 1.0000 + Sn Sn141 1.0 0.50000 0.77523 0.28670 1.0000 + Sn Sn142 1.0 0.50000 0.83773 0.28670 1.0000 + Sn Sn143 1.0 0.50000 0.90023 0.28670 1.0000 + Sn Sn144 1.0 0.50000 0.96273 0.28670 1.0000 + Sn Sn145 1.0 0.56250 0.02523 0.28670 1.0000 + Sn Sn146 1.0 0.56250 0.08773 0.28670 1.0000 + Sn Sn147 1.0 0.56250 0.15023 0.28670 1.0000 + Sn Sn148 1.0 0.56250 0.21273 0.28670 1.0000 + Sn Sn149 1.0 0.56250 0.27523 0.28670 1.0000 + Sn Sn150 1.0 0.56250 0.33773 0.28670 1.0000 + Sn Sn151 1.0 0.56250 0.40023 0.28670 1.0000 + Sn Sn152 1.0 0.56250 0.46273 0.28670 1.0000 + Sn Sn153 1.0 0.56250 0.52523 0.28670 1.0000 + Sn Sn154 1.0 0.56250 0.58773 0.28670 1.0000 + Sn Sn155 1.0 0.56250 0.65023 0.28670 1.0000 + Sn Sn156 1.0 0.56250 0.71273 0.28670 1.0000 + Sn Sn157 1.0 0.56250 0.77523 0.28670 1.0000 + Sn Sn158 1.0 0.56250 0.83773 0.28670 1.0000 + Sn Sn159 1.0 0.56250 0.90023 0.28670 1.0000 + Sn Sn160 1.0 0.56250 0.96273 0.28670 1.0000 + Sn Sn161 1.0 0.62500 0.02523 0.28670 1.0000 + Sn Sn162 1.0 0.62500 0.08773 0.28670 1.0000 + Sn Sn163 1.0 0.62500 0.15023 0.28670 1.0000 + Sn Sn164 1.0 0.62500 0.21273 0.28670 1.0000 + Sn Sn165 1.0 0.62500 0.27523 0.28670 1.0000 + Sn Sn166 1.0 0.62500 0.33773 0.28670 1.0000 + Sn Sn167 1.0 0.62500 0.40023 0.28670 1.0000 + Sn Sn168 1.0 0.62500 0.46273 0.28670 1.0000 + Sn Sn169 1.0 0.62500 0.52523 0.28670 1.0000 + Sn Sn170 1.0 0.62500 0.58773 0.28670 1.0000 + Sn Sn171 1.0 0.62500 0.65023 0.28670 1.0000 + Sn Sn172 1.0 0.62500 0.71273 0.28670 1.0000 + Sn Sn173 1.0 0.62500 0.77523 0.28670 1.0000 + Sn Sn174 1.0 0.62500 0.83773 0.28670 1.0000 + Sn Sn175 1.0 0.62500 0.90023 0.28670 1.0000 + Sn Sn176 1.0 0.62500 0.96273 0.28670 1.0000 + Sn Sn177 1.0 0.68750 0.02523 0.28670 1.0000 + Sn Sn178 1.0 0.68750 0.08773 0.28670 1.0000 + Sn Sn179 1.0 0.68750 0.15023 0.28670 1.0000 + Sn Sn180 1.0 0.68750 0.21273 0.28670 1.0000 + Sn Sn181 1.0 0.68750 0.27523 0.28670 1.0000 + Sn Sn182 1.0 0.68750 0.33773 0.28670 1.0000 + Sn Sn183 1.0 0.68750 0.40023 0.28670 1.0000 + Sn Sn184 1.0 0.68750 0.46273 0.28670 1.0000 + Sn Sn185 1.0 0.68750 0.52523 0.28670 1.0000 + Sn Sn186 1.0 0.68750 0.58773 0.28670 1.0000 + Sn Sn187 1.0 0.68750 0.65023 0.28670 1.0000 + Sn Sn188 1.0 0.68750 0.71273 0.28670 1.0000 + Sn Sn189 1.0 0.68750 0.77523 0.28670 1.0000 + Sn Sn190 1.0 0.68750 0.83773 0.28670 1.0000 + Sn Sn191 1.0 0.68750 0.90023 0.28670 1.0000 + Sn Sn192 1.0 0.68750 0.96273 0.28670 1.0000 + Sn Sn193 1.0 0.75000 0.02523 0.28670 1.0000 + Sn Sn194 1.0 0.75000 0.08773 0.28670 1.0000 + Sn Sn195 1.0 0.75000 0.15023 0.28670 1.0000 + Sn Sn196 1.0 0.75000 0.21273 0.28670 1.0000 + Sn Sn197 1.0 0.75000 0.27523 0.28670 1.0000 + Sn Sn198 1.0 0.75000 0.33773 0.28670 1.0000 + Sn Sn199 1.0 0.75000 0.40023 0.28670 1.0000 + Sn Sn200 1.0 0.75000 0.46273 0.28670 1.0000 + Sn Sn201 1.0 0.75000 0.52523 0.28670 1.0000 + Sn Sn202 1.0 0.75000 0.58773 0.28670 1.0000 + Sn Sn203 1.0 0.75000 0.65023 0.28670 1.0000 + Sn Sn204 1.0 0.75000 0.71273 0.28670 1.0000 + Sn Sn205 1.0 0.75000 0.77523 0.28670 1.0000 + Sn Sn206 1.0 0.75000 0.83773 0.28670 1.0000 + Sn Sn207 1.0 0.75000 0.90023 0.28670 1.0000 + Sn Sn208 1.0 0.75000 0.96273 0.28670 1.0000 + Sn Sn209 1.0 0.81250 0.02523 0.28670 1.0000 + Sn Sn210 1.0 0.81250 0.08773 0.28670 1.0000 + Sn Sn211 1.0 0.81250 0.15023 0.28670 1.0000 + Sn Sn212 1.0 0.81250 0.21273 0.28670 1.0000 + Sn Sn213 1.0 0.81250 0.27523 0.28670 1.0000 + Sn Sn214 1.0 0.81250 0.33773 0.28670 1.0000 + Sn Sn215 1.0 0.81250 0.40023 0.28670 1.0000 + Sn Sn216 1.0 0.81250 0.46273 0.28670 1.0000 + Sn Sn217 1.0 0.81250 0.52523 0.28670 1.0000 + Sn Sn218 1.0 0.81250 0.58773 0.28670 1.0000 + Sn Sn219 1.0 0.81250 0.65023 0.28670 1.0000 + Sn Sn220 1.0 0.81250 0.71273 0.28670 1.0000 + Sn Sn221 1.0 0.81250 0.77523 0.28670 1.0000 + Sn Sn222 1.0 0.81250 0.83773 0.28670 1.0000 + Sn Sn223 1.0 0.81250 0.90023 0.28670 1.0000 + Sn Sn224 1.0 0.81250 0.96273 0.28670 1.0000 + Sn Sn225 1.0 0.87500 0.02523 0.28670 1.0000 + Sn Sn226 1.0 0.87500 0.08773 0.28670 1.0000 + Sn Sn227 1.0 0.87500 0.15023 0.28670 1.0000 + Sn Sn228 1.0 0.87500 0.21273 0.28670 1.0000 + Sn Sn229 1.0 0.87500 0.27523 0.28670 1.0000 + Sn Sn230 1.0 0.87500 0.33773 0.28670 1.0000 + Sn Sn231 1.0 0.87500 0.40023 0.28670 1.0000 + Sn Sn232 1.0 0.87500 0.46273 0.28670 1.0000 + Sn Sn233 1.0 0.87500 0.52523 0.28670 1.0000 + Sn Sn234 1.0 0.87500 0.58773 0.28670 1.0000 + Sn Sn235 1.0 0.87500 0.65023 0.28670 1.0000 + Sn Sn236 1.0 0.87500 0.71273 0.28670 1.0000 + Sn Sn237 1.0 0.87500 0.77523 0.28670 1.0000 + Sn Sn238 1.0 0.87500 0.83773 0.28670 1.0000 + Sn Sn239 1.0 0.87500 0.90023 0.28670 1.0000 + Sn Sn240 1.0 0.87500 0.96273 0.28670 1.0000 + Sn Sn241 1.0 0.93750 0.02523 0.28670 1.0000 + Sn Sn242 1.0 0.93750 0.08773 0.28670 1.0000 + Sn Sn243 1.0 0.93750 0.15023 0.28670 1.0000 + Sn Sn244 1.0 0.93750 0.21273 0.28670 1.0000 + Sn Sn245 1.0 0.93750 0.27523 0.28670 1.0000 + Sn Sn246 1.0 0.93750 0.33773 0.28670 1.0000 + Sn Sn247 1.0 0.93750 0.40023 0.28670 1.0000 + Sn Sn248 1.0 0.93750 0.46273 0.28670 1.0000 + Sn Sn249 1.0 0.93750 0.52523 0.28670 1.0000 + Sn Sn250 1.0 0.93750 0.58773 0.28670 1.0000 + Sn Sn251 1.0 0.93750 0.65023 0.28670 1.0000 + Sn Sn252 1.0 0.93750 0.71273 0.28670 1.0000 + Sn Sn253 1.0 0.93750 0.77523 0.28670 1.0000 + Sn Sn254 1.0 0.93750 0.83773 0.28670 1.0000 + Sn Sn255 1.0 0.93750 0.90023 0.28670 1.0000 + Sn Sn256 1.0 0.93750 0.96273 0.28670 1.0000 + Sn Sn257 1.0 0.03125 0.05648 0.71330 1.0000 + Sn Sn258 1.0 0.03125 0.11898 0.71330 1.0000 + Sn Sn259 1.0 0.03125 0.18148 0.71330 1.0000 + Sn Sn260 1.0 0.03125 0.24398 0.71330 1.0000 + Sn Sn261 1.0 0.03125 0.30648 0.71330 1.0000 + Sn Sn262 1.0 0.03125 0.36898 0.71330 1.0000 + Sn Sn263 1.0 0.03125 0.43148 0.71330 1.0000 + Sn Sn264 1.0 0.03125 0.49398 0.71330 1.0000 + Sn Sn265 1.0 0.03125 0.55648 0.71330 1.0000 + Sn Sn266 1.0 0.03125 0.61898 0.71330 1.0000 + Sn Sn267 1.0 0.03125 0.68148 0.71330 1.0000 + Sn Sn268 1.0 0.03125 0.74398 0.71330 1.0000 + Sn Sn269 1.0 0.03125 0.80648 0.71330 1.0000 + Sn Sn270 1.0 0.03125 0.86898 0.71330 1.0000 + Sn Sn271 1.0 0.03125 0.93148 0.71330 1.0000 + Sn Sn272 1.0 0.03125 0.99398 0.71330 1.0000 + Sn Sn273 1.0 0.09375 0.05648 0.71330 1.0000 + Sn Sn274 1.0 0.09375 0.11898 0.71330 1.0000 + Sn Sn275 1.0 0.09375 0.18148 0.71330 1.0000 + Sn Sn276 1.0 0.09375 0.24398 0.71330 1.0000 + Sn Sn277 1.0 0.09375 0.30648 0.71330 1.0000 + Sn Sn278 1.0 0.09375 0.36898 0.71330 1.0000 + Sn Sn279 1.0 0.09375 0.43148 0.71330 1.0000 + Sn Sn280 1.0 0.09375 0.49398 0.71330 1.0000 + Sn Sn281 1.0 0.09375 0.55648 0.71330 1.0000 + Sn Sn282 1.0 0.09375 0.61898 0.71330 1.0000 + Sn Sn283 1.0 0.09375 0.68148 0.71330 1.0000 + Sn Sn284 1.0 0.09375 0.74398 0.71330 1.0000 + Sn Sn285 1.0 0.09375 0.80648 0.71330 1.0000 + Sn Sn286 1.0 0.09375 0.86898 0.71330 1.0000 + Sn Sn287 1.0 0.09375 0.93148 0.71330 1.0000 + Sn Sn288 1.0 0.09375 0.99398 0.71330 1.0000 + Sn Sn289 1.0 0.15625 0.05648 0.71330 1.0000 + Sn Sn290 1.0 0.15625 0.11898 0.71330 1.0000 + Sn Sn291 1.0 0.15625 0.18148 0.71330 1.0000 + Sn Sn292 1.0 0.15625 0.24398 0.71330 1.0000 + Sn Sn293 1.0 0.15625 0.30648 0.71330 1.0000 + Sn Sn294 1.0 0.15625 0.36898 0.71330 1.0000 + Sn Sn295 1.0 0.15625 0.43148 0.71330 1.0000 + Sn Sn296 1.0 0.15625 0.49398 0.71330 1.0000 + Sn Sn297 1.0 0.15625 0.55648 0.71330 1.0000 + Sn Sn298 1.0 0.15625 0.61898 0.71330 1.0000 + Sn Sn299 1.0 0.15625 0.68148 0.71330 1.0000 + Sn Sn300 1.0 0.15625 0.74398 0.71330 1.0000 + Sn Sn301 1.0 0.15625 0.80648 0.71330 1.0000 + Sn Sn302 1.0 0.15625 0.86898 0.71330 1.0000 + Sn Sn303 1.0 0.15625 0.93148 0.71330 1.0000 + Sn Sn304 1.0 0.15625 0.99398 0.71330 1.0000 + Sn Sn305 1.0 0.21875 0.05648 0.71330 1.0000 + Sn Sn306 1.0 0.21875 0.11898 0.71330 1.0000 + Sn Sn307 1.0 0.21875 0.18148 0.71330 1.0000 + Sn Sn308 1.0 0.21875 0.24398 0.71330 1.0000 + Sn Sn309 1.0 0.21875 0.30648 0.71330 1.0000 + Sn Sn310 1.0 0.21875 0.36898 0.71330 1.0000 + Sn Sn311 1.0 0.21875 0.43148 0.71330 1.0000 + Sn Sn312 1.0 0.21875 0.49398 0.71330 1.0000 + Sn Sn313 1.0 0.21875 0.55648 0.71330 1.0000 + Sn Sn314 1.0 0.21875 0.61898 0.71330 1.0000 + Sn Sn315 1.0 0.21875 0.68148 0.71330 1.0000 + Sn Sn316 1.0 0.21875 0.74398 0.71330 1.0000 + Sn Sn317 1.0 0.21875 0.80648 0.71330 1.0000 + Sn Sn318 1.0 0.21875 0.86898 0.71330 1.0000 + Sn Sn319 1.0 0.21875 0.93148 0.71330 1.0000 + Sn Sn320 1.0 0.21875 0.99398 0.71330 1.0000 + Sn Sn321 1.0 0.28125 0.05648 0.71330 1.0000 + Sn Sn322 1.0 0.28125 0.11898 0.71330 1.0000 + Sn Sn323 1.0 0.28125 0.18148 0.71330 1.0000 + Sn Sn324 1.0 0.28125 0.24398 0.71330 1.0000 + Sn Sn325 1.0 0.28125 0.30648 0.71330 1.0000 + Sn Sn326 1.0 0.28125 0.36898 0.71330 1.0000 + Sn Sn327 1.0 0.28125 0.43148 0.71330 1.0000 + Sn Sn328 1.0 0.28125 0.49398 0.71330 1.0000 + Sn Sn329 1.0 0.28125 0.55648 0.71330 1.0000 + Sn Sn330 1.0 0.28125 0.61898 0.71330 1.0000 + Sn Sn331 1.0 0.28125 0.68148 0.71330 1.0000 + Sn Sn332 1.0 0.28125 0.74398 0.71330 1.0000 + Sn Sn333 1.0 0.28125 0.80648 0.71330 1.0000 + Sn Sn334 1.0 0.28125 0.86898 0.71330 1.0000 + Sn Sn335 1.0 0.28125 0.93148 0.71330 1.0000 + Sn Sn336 1.0 0.28125 0.99398 0.71330 1.0000 + Sn Sn337 1.0 0.34375 0.05648 0.71330 1.0000 + Sn Sn338 1.0 0.34375 0.11898 0.71330 1.0000 + Sn Sn339 1.0 0.34375 0.18148 0.71330 1.0000 + Sn Sn340 1.0 0.34375 0.24398 0.71330 1.0000 + Sn Sn341 1.0 0.34375 0.30648 0.71330 1.0000 + Sn Sn342 1.0 0.34375 0.36898 0.71330 1.0000 + Sn Sn343 1.0 0.34375 0.43148 0.71330 1.0000 + Sn Sn344 1.0 0.34375 0.49398 0.71330 1.0000 + Sn Sn345 1.0 0.34375 0.55648 0.71330 1.0000 + Sn Sn346 1.0 0.34375 0.61898 0.71330 1.0000 + Sn Sn347 1.0 0.34375 0.68148 0.71330 1.0000 + Sn Sn348 1.0 0.34375 0.74398 0.71330 1.0000 + Sn Sn349 1.0 0.34375 0.80648 0.71330 1.0000 + Sn Sn350 1.0 0.34375 0.86898 0.71330 1.0000 + Sn Sn351 1.0 0.34375 0.93148 0.71330 1.0000 + Sn Sn352 1.0 0.34375 0.99398 0.71330 1.0000 + Sn Sn353 1.0 0.40625 0.05648 0.71330 1.0000 + Sn Sn354 1.0 0.40625 0.11898 0.71330 1.0000 + Sn Sn355 1.0 0.40625 0.18148 0.71330 1.0000 + Sn Sn356 1.0 0.40625 0.24398 0.71330 1.0000 + Sn Sn357 1.0 0.40625 0.30648 0.71330 1.0000 + Sn Sn358 1.0 0.40625 0.36898 0.71330 1.0000 + Sn Sn359 1.0 0.40625 0.43148 0.71330 1.0000 + Sn Sn360 1.0 0.40625 0.49398 0.71330 1.0000 + Sn Sn361 1.0 0.40625 0.55648 0.71330 1.0000 + Sn Sn362 1.0 0.40625 0.61898 0.71330 1.0000 + Sn Sn363 1.0 0.40625 0.68148 0.71330 1.0000 + Sn Sn364 1.0 0.40625 0.74398 0.71330 1.0000 + Sn Sn365 1.0 0.40625 0.80648 0.71330 1.0000 + Sn Sn366 1.0 0.40625 0.86898 0.71330 1.0000 + Sn Sn367 1.0 0.40625 0.93148 0.71330 1.0000 + Sn Sn368 1.0 0.40625 0.99398 0.71330 1.0000 + Sn Sn369 1.0 0.46875 0.05648 0.71330 1.0000 + Sn Sn370 1.0 0.46875 0.11898 0.71330 1.0000 + Sn Sn371 1.0 0.46875 0.18148 0.71330 1.0000 + Sn Sn372 1.0 0.46875 0.24398 0.71330 1.0000 + Sn Sn373 1.0 0.46875 0.30648 0.71330 1.0000 + Sn Sn374 1.0 0.46875 0.36898 0.71330 1.0000 + Sn Sn375 1.0 0.46875 0.43148 0.71330 1.0000 + Sn Sn376 1.0 0.46875 0.49398 0.71330 1.0000 + Sn Sn377 1.0 0.46875 0.55648 0.71330 1.0000 + Sn Sn378 1.0 0.46875 0.61898 0.71330 1.0000 + Sn Sn379 1.0 0.46875 0.68148 0.71330 1.0000 + Sn Sn380 1.0 0.46875 0.74398 0.71330 1.0000 + Sn Sn381 1.0 0.46875 0.80648 0.71330 1.0000 + Sn Sn382 1.0 0.46875 0.86898 0.71330 1.0000 + Sn Sn383 1.0 0.46875 0.93148 0.71330 1.0000 + Sn Sn384 1.0 0.46875 0.99398 0.71330 1.0000 + Sn Sn385 1.0 0.53125 0.05648 0.71330 1.0000 + Sn Sn386 1.0 0.53125 0.11898 0.71330 1.0000 + Sn Sn387 1.0 0.53125 0.18148 0.71330 1.0000 + Sn Sn388 1.0 0.53125 0.24398 0.71330 1.0000 + Sn Sn389 1.0 0.53125 0.30648 0.71330 1.0000 + Sn Sn390 1.0 0.53125 0.36898 0.71330 1.0000 + Sn Sn391 1.0 0.53125 0.43148 0.71330 1.0000 + Sn Sn392 1.0 0.53125 0.49398 0.71330 1.0000 + Sn Sn393 1.0 0.53125 0.55648 0.71330 1.0000 + Sn Sn394 1.0 0.53125 0.61898 0.71330 1.0000 + Sn Sn395 1.0 0.53125 0.68148 0.71330 1.0000 + Sn Sn396 1.0 0.53125 0.74398 0.71330 1.0000 + Sn Sn397 1.0 0.53125 0.80648 0.71330 1.0000 + Sn Sn398 1.0 0.53125 0.86898 0.71330 1.0000 + Sn Sn399 1.0 0.53125 0.93148 0.71330 1.0000 + Sn Sn400 1.0 0.53125 0.99398 0.71330 1.0000 + Sn Sn401 1.0 0.59375 0.05648 0.71330 1.0000 + Sn Sn402 1.0 0.59375 0.11898 0.71330 1.0000 + Sn Sn403 1.0 0.59375 0.18148 0.71330 1.0000 + Sn Sn404 1.0 0.59375 0.24398 0.71330 1.0000 + Sn Sn405 1.0 0.59375 0.30648 0.71330 1.0000 + Sn Sn406 1.0 0.59375 0.36898 0.71330 1.0000 + Sn Sn407 1.0 0.59375 0.43148 0.71330 1.0000 + Sn Sn408 1.0 0.59375 0.49398 0.71330 1.0000 + Sn Sn409 1.0 0.59375 0.55648 0.71330 1.0000 + Sn Sn410 1.0 0.59375 0.61898 0.71330 1.0000 + Sn Sn411 1.0 0.59375 0.68148 0.71330 1.0000 + Sn Sn412 1.0 0.59375 0.74398 0.71330 1.0000 + Sn Sn413 1.0 0.59375 0.80648 0.71330 1.0000 + Sn Sn414 1.0 0.59375 0.86898 0.71330 1.0000 + Sn Sn415 1.0 0.59375 0.93148 0.71330 1.0000 + Sn Sn416 1.0 0.59375 0.99398 0.71330 1.0000 + Sn Sn417 1.0 0.65625 0.05648 0.71330 1.0000 + Sn Sn418 1.0 0.65625 0.11898 0.71330 1.0000 + Sn Sn419 1.0 0.65625 0.18148 0.71330 1.0000 + Sn Sn420 1.0 0.65625 0.24398 0.71330 1.0000 + Sn Sn421 1.0 0.65625 0.30648 0.71330 1.0000 + Sn Sn422 1.0 0.65625 0.36898 0.71330 1.0000 + Sn Sn423 1.0 0.65625 0.43148 0.71330 1.0000 + Sn Sn424 1.0 0.65625 0.49398 0.71330 1.0000 + Sn Sn425 1.0 0.65625 0.55648 0.71330 1.0000 + Sn Sn426 1.0 0.65625 0.61898 0.71330 1.0000 + Sn Sn427 1.0 0.65625 0.68148 0.71330 1.0000 + Sn Sn428 1.0 0.65625 0.74398 0.71330 1.0000 + Sn Sn429 1.0 0.65625 0.80648 0.71330 1.0000 + Sn Sn430 1.0 0.65625 0.86898 0.71330 1.0000 + Sn Sn431 1.0 0.65625 0.93148 0.71330 1.0000 + Sn Sn432 1.0 0.65625 0.99398 0.71330 1.0000 + Sn Sn433 1.0 0.71875 0.05648 0.71330 1.0000 + Sn Sn434 1.0 0.71875 0.11898 0.71330 1.0000 + Sn Sn435 1.0 0.71875 0.18148 0.71330 1.0000 + Sn Sn436 1.0 0.71875 0.24398 0.71330 1.0000 + Sn Sn437 1.0 0.71875 0.30648 0.71330 1.0000 + Sn Sn438 1.0 0.71875 0.36898 0.71330 1.0000 + Sn Sn439 1.0 0.71875 0.43148 0.71330 1.0000 + Sn Sn440 1.0 0.71875 0.49398 0.71330 1.0000 + Sn Sn441 1.0 0.71875 0.55648 0.71330 1.0000 + Sn Sn442 1.0 0.71875 0.61898 0.71330 1.0000 + Sn Sn443 1.0 0.71875 0.68148 0.71330 1.0000 + Sn Sn444 1.0 0.71875 0.74398 0.71330 1.0000 + Sn Sn445 1.0 0.71875 0.80648 0.71330 1.0000 + Sn Sn446 1.0 0.71875 0.86898 0.71330 1.0000 + Sn Sn447 1.0 0.71875 0.93148 0.71330 1.0000 + Sn Sn448 1.0 0.71875 0.99398 0.71330 1.0000 + Sn Sn449 1.0 0.78125 0.05648 0.71330 1.0000 + Sn Sn450 1.0 0.78125 0.11898 0.71330 1.0000 + Sn Sn451 1.0 0.78125 0.18148 0.71330 1.0000 + Sn Sn452 1.0 0.78125 0.24398 0.71330 1.0000 + Sn Sn453 1.0 0.78125 0.30648 0.71330 1.0000 + Sn Sn454 1.0 0.78125 0.36898 0.71330 1.0000 + Sn Sn455 1.0 0.78125 0.43148 0.71330 1.0000 + Sn Sn456 1.0 0.78125 0.49398 0.71330 1.0000 + Sn Sn457 1.0 0.78125 0.55648 0.71330 1.0000 + Sn Sn458 1.0 0.78125 0.61898 0.71330 1.0000 + Sn Sn459 1.0 0.78125 0.68148 0.71330 1.0000 + Sn Sn460 1.0 0.78125 0.74398 0.71330 1.0000 + Sn Sn461 1.0 0.78125 0.80648 0.71330 1.0000 + Sn Sn462 1.0 0.78125 0.86898 0.71330 1.0000 + Sn Sn463 1.0 0.78125 0.93148 0.71330 1.0000 + Sn Sn464 1.0 0.78125 0.99398 0.71330 1.0000 + Sn Sn465 1.0 0.84375 0.05648 0.71330 1.0000 + Sn Sn466 1.0 0.84375 0.11898 0.71330 1.0000 + Sn Sn467 1.0 0.84375 0.18148 0.71330 1.0000 + Sn Sn468 1.0 0.84375 0.24398 0.71330 1.0000 + Sn Sn469 1.0 0.84375 0.30648 0.71330 1.0000 + Sn Sn470 1.0 0.84375 0.36898 0.71330 1.0000 + Sn Sn471 1.0 0.84375 0.43148 0.71330 1.0000 + Sn Sn472 1.0 0.84375 0.49398 0.71330 1.0000 + Sn Sn473 1.0 0.84375 0.55648 0.71330 1.0000 + Sn Sn474 1.0 0.84375 0.61898 0.71330 1.0000 + Sn Sn475 1.0 0.84375 0.68148 0.71330 1.0000 + Sn Sn476 1.0 0.84375 0.74398 0.71330 1.0000 + Sn Sn477 1.0 0.84375 0.80648 0.71330 1.0000 + Sn Sn478 1.0 0.84375 0.86898 0.71330 1.0000 + Sn Sn479 1.0 0.84375 0.93148 0.71330 1.0000 + Sn Sn480 1.0 0.84375 0.99398 0.71330 1.0000 + Sn Sn481 1.0 0.90625 0.05648 0.71330 1.0000 + Sn Sn482 1.0 0.90625 0.11898 0.71330 1.0000 + Sn Sn483 1.0 0.90625 0.18148 0.71330 1.0000 + Sn Sn484 1.0 0.90625 0.24398 0.71330 1.0000 + Sn Sn485 1.0 0.90625 0.30648 0.71330 1.0000 + Sn Sn486 1.0 0.90625 0.36898 0.71330 1.0000 + Sn Sn487 1.0 0.90625 0.43148 0.71330 1.0000 + Sn Sn488 1.0 0.90625 0.49398 0.71330 1.0000 + Sn Sn489 1.0 0.90625 0.55648 0.71330 1.0000 + Sn Sn490 1.0 0.90625 0.61898 0.71330 1.0000 + Sn Sn491 1.0 0.90625 0.68148 0.71330 1.0000 + Sn Sn492 1.0 0.90625 0.74398 0.71330 1.0000 + Sn Sn493 1.0 0.90625 0.80648 0.71330 1.0000 + Sn Sn494 1.0 0.90625 0.86898 0.71330 1.0000 + Sn Sn495 1.0 0.90625 0.93148 0.71330 1.0000 + Sn Sn496 1.0 0.90625 0.99398 0.71330 1.0000 + Sn Sn497 1.0 0.96875 0.05648 0.71330 1.0000 + Sn Sn498 1.0 0.96875 0.11898 0.71330 1.0000 + Sn Sn499 1.0 0.96875 0.18148 0.71330 1.0000 + Sn Sn500 1.0 0.96875 0.24398 0.71330 1.0000 + Sn Sn501 1.0 0.96875 0.30648 0.71330 1.0000 + Sn Sn502 1.0 0.96875 0.36898 0.71330 1.0000 + Sn Sn503 1.0 0.96875 0.43148 0.71330 1.0000 + Sn Sn504 1.0 0.96875 0.49398 0.71330 1.0000 + Sn Sn505 1.0 0.96875 0.55648 0.71330 1.0000 + Sn Sn506 1.0 0.96875 0.61898 0.71330 1.0000 + Sn Sn507 1.0 0.96875 0.68148 0.71330 1.0000 + Sn Sn508 1.0 0.96875 0.74398 0.71330 1.0000 + Sn Sn509 1.0 0.96875 0.80648 0.71330 1.0000 + Sn Sn510 1.0 0.96875 0.86898 0.71330 1.0000 + Sn Sn511 1.0 0.96875 0.93148 0.71330 1.0000 + Sn Sn512 1.0 0.96875 0.99398 0.71330 1.0000 + Se Se1 1.0 0.03125 0.06139 0.32427 1.0000 + Se Se2 1.0 0.03125 0.12389 0.32427 1.0000 + Se Se3 1.0 0.03125 0.18639 0.32427 1.0000 + Se Se4 1.0 0.03125 0.24889 0.32427 1.0000 + Se Se5 1.0 0.03125 0.31139 0.32427 1.0000 + Se Se6 1.0 0.03125 0.37389 0.32427 1.0000 + Se Se7 1.0 0.03125 0.43639 0.32427 1.0000 + Se Se8 1.0 0.03125 0.49889 0.32427 1.0000 + Se Se9 1.0 0.03125 0.56139 0.32427 1.0000 + Se Se10 1.0 0.03125 0.62389 0.32427 1.0000 + Se Se11 1.0 0.03125 0.68639 0.32427 1.0000 + Se Se12 1.0 0.03125 0.74889 0.32427 1.0000 + Se Se13 1.0 0.03125 0.81139 0.32427 1.0000 + Se Se14 1.0 0.03125 0.87389 0.32427 1.0000 + Se Se15 1.0 0.03125 0.93639 0.32427 1.0000 + Se Se16 1.0 0.03125 0.99889 0.32427 1.0000 + Se Se17 1.0 0.09375 0.06139 0.32427 1.0000 + Se Se18 1.0 0.09375 0.12389 0.32427 1.0000 + Se Se19 1.0 0.09375 0.18639 0.32427 1.0000 + Se Se20 1.0 0.09375 0.24889 0.32427 1.0000 + Se Se21 1.0 0.09375 0.31139 0.32427 1.0000 + Se Se22 1.0 0.09375 0.37389 0.32427 1.0000 + Se Se23 1.0 0.09375 0.43639 0.32427 1.0000 + Se Se24 1.0 0.09375 0.49889 0.32427 1.0000 + Se Se25 1.0 0.09375 0.56139 0.32427 1.0000 + Se Se26 1.0 0.09375 0.62389 0.32427 1.0000 + Se Se27 1.0 0.09375 0.68639 0.32427 1.0000 + Se Se28 1.0 0.09375 0.74889 0.32427 1.0000 + Se Se29 1.0 0.09375 0.81139 0.32427 1.0000 + Se Se30 1.0 0.09375 0.87389 0.32427 1.0000 + Se Se31 1.0 0.09375 0.93639 0.32427 1.0000 + Se Se32 1.0 0.09375 0.99889 0.32427 1.0000 + Se Se33 1.0 0.15625 0.06139 0.32427 1.0000 + Se Se34 1.0 0.15625 0.12389 0.32427 1.0000 + Se Se35 1.0 0.15625 0.18639 0.32427 1.0000 + Se Se36 1.0 0.15625 0.24889 0.32427 1.0000 + Se Se37 1.0 0.15625 0.31139 0.32427 1.0000 + Se Se38 1.0 0.15625 0.37389 0.32427 1.0000 + Se Se39 1.0 0.15625 0.43639 0.32427 1.0000 + Se Se40 1.0 0.15625 0.49889 0.32427 1.0000 + Se Se41 1.0 0.15625 0.56139 0.32427 1.0000 + Se Se42 1.0 0.15625 0.62389 0.32427 1.0000 + Se Se43 1.0 0.15625 0.68639 0.32427 1.0000 + Se Se44 1.0 0.15625 0.74889 0.32427 1.0000 + Se Se45 1.0 0.15625 0.81139 0.32427 1.0000 + Se Se46 1.0 0.15625 0.87389 0.32427 1.0000 + Se Se47 1.0 0.15625 0.93639 0.32427 1.0000 + Se Se48 1.0 0.15625 0.99889 0.32427 1.0000 + Se Se49 1.0 0.21875 0.06139 0.32427 1.0000 + Se Se50 1.0 0.21875 0.12389 0.32427 1.0000 + Se Se51 1.0 0.21875 0.18639 0.32427 1.0000 + Se Se52 1.0 0.21875 0.24889 0.32427 1.0000 + Se Se53 1.0 0.21875 0.31139 0.32427 1.0000 + Se Se54 1.0 0.21875 0.37389 0.32427 1.0000 + Se Se55 1.0 0.21875 0.43639 0.32427 1.0000 + Se Se56 1.0 0.21875 0.49889 0.32427 1.0000 + Se Se57 1.0 0.21875 0.56139 0.32427 1.0000 + Se Se58 1.0 0.21875 0.62389 0.32427 1.0000 + Se Se59 1.0 0.21875 0.68639 0.32427 1.0000 + Se Se60 1.0 0.21875 0.74889 0.32427 1.0000 + Se Se61 1.0 0.21875 0.81139 0.32427 1.0000 + Se Se62 1.0 0.21875 0.87389 0.32427 1.0000 + Se Se63 1.0 0.21875 0.93639 0.32427 1.0000 + Se Se64 1.0 0.21875 0.99889 0.32427 1.0000 + Se Se65 1.0 0.28125 0.06139 0.32427 1.0000 + Se Se66 1.0 0.28125 0.12389 0.32427 1.0000 + Se Se67 1.0 0.28125 0.18639 0.32427 1.0000 + Se Se68 1.0 0.28125 0.24889 0.32427 1.0000 + Se Se69 1.0 0.28125 0.31139 0.32427 1.0000 + Se Se70 1.0 0.28125 0.37389 0.32427 1.0000 + Se Se71 1.0 0.28125 0.43639 0.32427 1.0000 + Se Se72 1.0 0.28125 0.49889 0.32427 1.0000 + Se Se73 1.0 0.28125 0.56139 0.32427 1.0000 + Se Se74 1.0 0.28125 0.62389 0.32427 1.0000 + Se Se75 1.0 0.28125 0.68639 0.32427 1.0000 + Se Se76 1.0 0.28125 0.74889 0.32427 1.0000 + Se Se77 1.0 0.28125 0.81139 0.32427 1.0000 + Se Se78 1.0 0.28125 0.87389 0.32427 1.0000 + Se Se79 1.0 0.28125 0.93639 0.32427 1.0000 + Se Se80 1.0 0.28125 0.99889 0.32427 1.0000 + Se Se81 1.0 0.34375 0.06139 0.32427 1.0000 + Se Se82 1.0 0.34375 0.12389 0.32427 1.0000 + Se Se83 1.0 0.34375 0.18639 0.32427 1.0000 + Se Se84 1.0 0.34375 0.24889 0.32427 1.0000 + Se Se85 1.0 0.34375 0.31139 0.32427 1.0000 + Se Se86 1.0 0.34375 0.37389 0.32427 1.0000 + Se Se87 1.0 0.34375 0.43639 0.32427 1.0000 + Se Se88 1.0 0.34375 0.49889 0.32427 1.0000 + Se Se89 1.0 0.34375 0.56139 0.32427 1.0000 + Se Se90 1.0 0.34375 0.62389 0.32427 1.0000 + Se Se91 1.0 0.34375 0.68639 0.32427 1.0000 + Se Se92 1.0 0.34375 0.74889 0.32427 1.0000 + Se Se93 1.0 0.34375 0.81139 0.32427 1.0000 + Se Se94 1.0 0.34375 0.87389 0.32427 1.0000 + Se Se95 1.0 0.34375 0.93639 0.32427 1.0000 + Se Se96 1.0 0.34375 0.99889 0.32427 1.0000 + Se Se97 1.0 0.40625 0.06139 0.32427 1.0000 + Se Se98 1.0 0.40625 0.12389 0.32427 1.0000 + Se Se99 1.0 0.40625 0.18639 0.32427 1.0000 + Se Se100 1.0 0.40625 0.24889 0.32427 1.0000 + Se Se101 1.0 0.40625 0.31139 0.32427 1.0000 + Se Se102 1.0 0.40625 0.37389 0.32427 1.0000 + Se Se103 1.0 0.40625 0.43639 0.32427 1.0000 + Se Se104 1.0 0.40625 0.49889 0.32427 1.0000 + Se Se105 1.0 0.40625 0.56139 0.32427 1.0000 + Se Se106 1.0 0.40625 0.62389 0.32427 1.0000 + Se Se107 1.0 0.40625 0.68639 0.32427 1.0000 + Se Se108 1.0 0.40625 0.74889 0.32427 1.0000 + Se Se109 1.0 0.40625 0.81139 0.32427 1.0000 + Se Se110 1.0 0.40625 0.87389 0.32427 1.0000 + Se Se111 1.0 0.40625 0.93639 0.32427 1.0000 + Se Se112 1.0 0.40625 0.99889 0.32427 1.0000 + Se Se113 1.0 0.46875 0.06139 0.32427 1.0000 + Se Se114 1.0 0.46875 0.12389 0.32427 1.0000 + Se Se115 1.0 0.46875 0.18639 0.32427 1.0000 + Se Se116 1.0 0.46875 0.24889 0.32427 1.0000 + Se Se117 1.0 0.46875 0.31139 0.32427 1.0000 + Se Se118 1.0 0.46875 0.37389 0.32427 1.0000 + Se Se119 1.0 0.46875 0.43639 0.32427 1.0000 + Se Se120 1.0 0.46875 0.49889 0.32427 1.0000 + Se Se121 1.0 0.46875 0.56139 0.32427 1.0000 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0.87500 0.59264 0.67573 1.0000 + Se Se491 1.0 0.87500 0.65514 0.67573 1.0000 + Se Se492 1.0 0.87500 0.71764 0.67573 1.0000 + Se Se493 1.0 0.87500 0.78014 0.67573 1.0000 + Se Se494 1.0 0.87500 0.84264 0.67573 1.0000 + Se Se495 1.0 0.87500 0.90514 0.67573 1.0000 + Se Se496 1.0 0.87500 0.96764 0.67573 1.0000 + Se Se497 1.0 0.93750 0.03014 0.67573 1.0000 + Se Se498 1.0 0.93750 0.09264 0.67573 1.0000 + Se Se499 1.0 0.93750 0.15514 0.67573 1.0000 + Se Se500 1.0 0.93750 0.21764 0.67573 1.0000 + Se Se501 1.0 0.93750 0.28014 0.67573 1.0000 + Se Se502 1.0 0.93750 0.34264 0.67573 1.0000 + Se Se503 1.0 0.93750 0.40514 0.67573 1.0000 + Se Se504 1.0 0.93750 0.46764 0.67573 1.0000 + Se Se505 1.0 0.93750 0.53014 0.67573 1.0000 + Se Se506 1.0 0.93750 0.59264 0.67573 1.0000 + Se Se507 1.0 0.93750 0.65514 0.67573 1.0000 + Se Se508 1.0 0.93750 0.71764 0.67573 1.0000 + Se Se509 1.0 0.93750 0.78014 0.67573 1.0000 + Se Se510 1.0 0.93750 0.84264 0.67573 1.0000 + Se Se511 1.0 0.93750 0.90514 0.67573 1.0000 + Se Se512 1.0 0.93750 0.96764 0.67573 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5117_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5117_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..53e9ba0ebb5393471c61d189b6d510c4292883b0 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5117_supercell_12x12x1.cif @@ -0,0 +1,3481 @@ +data_image0 +_chemical_formula_structural Cr144Co432O1152Cr144Co432O1152 +_chemical_formula_sum "Cr288 Co864 O2304" +_cell_length_a 118.859 +_cell_length_b 68.623 +_cell_length_c 5.89625 +_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 0.04167 0.04167 0.50000 1.0000 + Cr Cr3 1.0 0.08333 0.08333 0.50000 1.0000 + Cr Cr4 1.0 0.12500 0.12500 0.50000 1.0000 + Cr Cr5 1.0 0.16667 0.16667 0.50000 1.0000 + Cr Cr6 1.0 0.20833 0.20833 0.50000 1.0000 + Cr Cr7 1.0 0.25000 0.25000 0.50000 1.0000 + Cr Cr8 1.0 0.29167 0.29167 0.50000 1.0000 + Cr Cr9 1.0 0.33333 0.33333 0.50000 1.0000 + Cr Cr10 1.0 0.37500 0.37500 0.50000 1.0000 + Cr Cr11 1.0 0.41667 0.41667 0.50000 1.0000 + Cr Cr12 1.0 0.45833 0.45833 0.50000 1.0000 + Cr Cr13 1.0 0.04167 0.95833 0.50000 1.0000 + Cr Cr14 1.0 0.08333 0.00000 0.50000 1.0000 + Cr Cr15 1.0 0.12500 0.04167 0.50000 1.0000 + Cr Cr16 1.0 0.16667 0.08333 0.50000 1.0000 + Cr Cr17 1.0 0.20833 0.12500 0.50000 1.0000 + Cr Cr18 1.0 0.25000 0.16667 0.50000 1.0000 + Cr Cr19 1.0 0.29167 0.20833 0.50000 1.0000 + Cr Cr20 1.0 0.33333 0.25000 0.50000 1.0000 + Cr Cr21 1.0 0.37500 0.29167 0.50000 1.0000 + Cr Cr22 1.0 0.41667 0.33333 0.50000 1.0000 + Cr Cr23 1.0 0.45833 0.37500 0.50000 1.0000 + Cr Cr24 1.0 0.50000 0.41667 0.50000 1.0000 + Cr Cr25 1.0 0.08333 0.91667 0.50000 1.0000 + Cr Cr26 1.0 0.12500 0.95833 0.50000 1.0000 + Cr Cr27 1.0 0.16667 0.00000 0.50000 1.0000 + Cr Cr28 1.0 0.20833 0.04167 0.50000 1.0000 + Cr Cr29 1.0 0.25000 0.08333 0.50000 1.0000 + Cr Cr30 1.0 0.29167 0.12500 0.50000 1.0000 + Cr Cr31 1.0 0.33333 0.16667 0.50000 1.0000 + Cr Cr32 1.0 0.37500 0.20833 0.50000 1.0000 + Cr Cr33 1.0 0.41667 0.25000 0.50000 1.0000 + Cr Cr34 1.0 0.45833 0.29167 0.50000 1.0000 + Cr Cr35 1.0 0.50000 0.33333 0.50000 1.0000 + Cr Cr36 1.0 0.54167 0.37500 0.50000 1.0000 + Cr Cr37 1.0 0.12500 0.87500 0.50000 1.0000 + Cr Cr38 1.0 0.16667 0.91667 0.50000 1.0000 + Cr Cr39 1.0 0.20833 0.95833 0.50000 1.0000 + Cr Cr40 1.0 0.25000 0.00000 0.50000 1.0000 + Cr Cr41 1.0 0.29167 0.04167 0.50000 1.0000 + Cr Cr42 1.0 0.33333 0.08333 0.50000 1.0000 + Cr Cr43 1.0 0.37500 0.12500 0.50000 1.0000 + Cr Cr44 1.0 0.41667 0.16667 0.50000 1.0000 + Cr Cr45 1.0 0.45833 0.20833 0.50000 1.0000 + Cr Cr46 1.0 0.50000 0.25000 0.50000 1.0000 + Cr Cr47 1.0 0.54167 0.29167 0.50000 1.0000 + Cr Cr48 1.0 0.58333 0.33333 0.50000 1.0000 + Cr Cr49 1.0 0.16667 0.83333 0.50000 1.0000 + Cr Cr50 1.0 0.20833 0.87500 0.50000 1.0000 + Cr Cr51 1.0 0.25000 0.91667 0.50000 1.0000 + Cr Cr52 1.0 0.29167 0.95833 0.50000 1.0000 + Cr Cr53 1.0 0.33333 0.00000 0.50000 1.0000 + Cr Cr54 1.0 0.37500 0.04167 0.50000 1.0000 + Cr Cr55 1.0 0.41667 0.08333 0.50000 1.0000 + Cr Cr56 1.0 0.45833 0.12500 0.50000 1.0000 + Cr Cr57 1.0 0.50000 0.16667 0.50000 1.0000 + Cr Cr58 1.0 0.54167 0.20833 0.50000 1.0000 + Cr Cr59 1.0 0.58333 0.25000 0.50000 1.0000 + Cr Cr60 1.0 0.62500 0.29167 0.50000 1.0000 + Cr Cr61 1.0 0.20833 0.79167 0.50000 1.0000 + Cr Cr62 1.0 0.25000 0.83333 0.50000 1.0000 + Cr Cr63 1.0 0.29167 0.87500 0.50000 1.0000 + Cr Cr64 1.0 0.33333 0.91667 0.50000 1.0000 + Cr Cr65 1.0 0.37500 0.95833 0.50000 1.0000 + Cr Cr66 1.0 0.41667 0.00000 0.50000 1.0000 + Cr Cr67 1.0 0.45833 0.04167 0.50000 1.0000 + Cr Cr68 1.0 0.50000 0.08333 0.50000 1.0000 + Cr Cr69 1.0 0.54167 0.12500 0.50000 1.0000 + Cr Cr70 1.0 0.58333 0.16667 0.50000 1.0000 + Cr Cr71 1.0 0.62500 0.20833 0.50000 1.0000 + Cr Cr72 1.0 0.66667 0.25000 0.50000 1.0000 + Cr Cr73 1.0 0.25000 0.75000 0.50000 1.0000 + Cr Cr74 1.0 0.29167 0.79167 0.50000 1.0000 + Cr Cr75 1.0 0.33333 0.83333 0.50000 1.0000 + Cr Cr76 1.0 0.37500 0.87500 0.50000 1.0000 + Cr Cr77 1.0 0.41667 0.91667 0.50000 1.0000 + Cr Cr78 1.0 0.45833 0.95833 0.50000 1.0000 + Cr Cr79 1.0 0.50000 0.00000 0.50000 1.0000 + Cr Cr80 1.0 0.54167 0.04167 0.50000 1.0000 + Cr Cr81 1.0 0.58333 0.08333 0.50000 1.0000 + Cr Cr82 1.0 0.62500 0.12500 0.50000 1.0000 + Cr Cr83 1.0 0.66667 0.16667 0.50000 1.0000 + Cr Cr84 1.0 0.70833 0.20833 0.50000 1.0000 + Cr Cr85 1.0 0.29167 0.70833 0.50000 1.0000 + Cr Cr86 1.0 0.33333 0.75000 0.50000 1.0000 + Cr Cr87 1.0 0.37500 0.79167 0.50000 1.0000 + Cr Cr88 1.0 0.41667 0.83333 0.50000 1.0000 + Cr Cr89 1.0 0.45833 0.87500 0.50000 1.0000 + Cr Cr90 1.0 0.50000 0.91667 0.50000 1.0000 + Cr Cr91 1.0 0.54167 0.95833 0.50000 1.0000 + Cr Cr92 1.0 0.58333 1.00000 0.50000 1.0000 + Cr Cr93 1.0 0.62500 0.04167 0.50000 1.0000 + Cr Cr94 1.0 0.66667 0.08333 0.50000 1.0000 + Cr Cr95 1.0 0.70833 0.12500 0.50000 1.0000 + Cr Cr96 1.0 0.75000 0.16667 0.50000 1.0000 + Cr Cr97 1.0 0.33333 0.66667 0.50000 1.0000 + Cr Cr98 1.0 0.37500 0.70833 0.50000 1.0000 + Cr Cr99 1.0 0.41667 0.75000 0.50000 1.0000 + Cr Cr100 1.0 0.45833 0.79167 0.50000 1.0000 + Cr Cr101 1.0 0.50000 0.83333 0.50000 1.0000 + Cr Cr102 1.0 0.54167 0.87500 0.50000 1.0000 + Cr Cr103 1.0 0.58333 0.91667 0.50000 1.0000 + Cr Cr104 1.0 0.62500 0.95833 0.50000 1.0000 + Cr Cr105 1.0 0.66667 0.00000 0.50000 1.0000 + Cr Cr106 1.0 0.70833 0.04167 0.50000 1.0000 + Cr Cr107 1.0 0.75000 0.08333 0.50000 1.0000 + Cr Cr108 1.0 0.79167 0.12500 0.50000 1.0000 + Cr Cr109 1.0 0.37500 0.62500 0.50000 1.0000 + Cr Cr110 1.0 0.41667 0.66667 0.50000 1.0000 + Cr Cr111 1.0 0.45833 0.70833 0.50000 1.0000 + Cr Cr112 1.0 0.50000 0.75000 0.50000 1.0000 + Cr Cr113 1.0 0.54167 0.79167 0.50000 1.0000 + Cr Cr114 1.0 0.58333 0.83333 0.50000 1.0000 + Cr Cr115 1.0 0.62500 0.87500 0.50000 1.0000 + Cr Cr116 1.0 0.66667 0.91667 0.50000 1.0000 + Cr Cr117 1.0 0.70833 0.95833 0.50000 1.0000 + Cr Cr118 1.0 0.75000 1.00000 0.50000 1.0000 + Cr Cr119 1.0 0.79167 0.04167 0.50000 1.0000 + Cr Cr120 1.0 0.83333 0.08333 0.50000 1.0000 + Cr Cr121 1.0 0.41667 0.58333 0.50000 1.0000 + Cr Cr122 1.0 0.45833 0.62500 0.50000 1.0000 + Cr Cr123 1.0 0.50000 0.66667 0.50000 1.0000 + Cr Cr124 1.0 0.54167 0.70833 0.50000 1.0000 + Cr Cr125 1.0 0.58333 0.75000 0.50000 1.0000 + Cr Cr126 1.0 0.62500 0.79167 0.50000 1.0000 + Cr Cr127 1.0 0.66667 0.83333 0.50000 1.0000 + Cr Cr128 1.0 0.70833 0.87500 0.50000 1.0000 + Cr Cr129 1.0 0.75000 0.91667 0.50000 1.0000 + Cr Cr130 1.0 0.79167 0.95833 0.50000 1.0000 + Cr Cr131 1.0 0.83333 1.00000 0.50000 1.0000 + Cr Cr132 1.0 0.87500 0.04167 0.50000 1.0000 + Cr Cr133 1.0 0.45833 0.54167 0.50000 1.0000 + Cr Cr134 1.0 0.50000 0.58333 0.50000 1.0000 + Cr Cr135 1.0 0.54167 0.62500 0.50000 1.0000 + Cr Cr136 1.0 0.58333 0.66667 0.50000 1.0000 + Cr Cr137 1.0 0.62500 0.70833 0.50000 1.0000 + Cr Cr138 1.0 0.66667 0.75000 0.50000 1.0000 + Cr Cr139 1.0 0.70833 0.79167 0.50000 1.0000 + Cr Cr140 1.0 0.75000 0.83333 0.50000 1.0000 + Cr Cr141 1.0 0.79167 0.87500 0.50000 1.0000 + Cr Cr142 1.0 0.83333 0.91667 0.50000 1.0000 + Cr Cr143 1.0 0.87500 0.95833 0.50000 1.0000 + Cr Cr144 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 0.00000 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 0.00000 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 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0.20833 0.37500 0.50000 1.0000 + Cr Cr273 1.0 0.25000 0.41667 0.50000 1.0000 + Cr Cr274 1.0 0.29167 0.45833 0.50000 1.0000 + Cr Cr275 1.0 0.33333 0.50000 0.50000 1.0000 + Cr Cr276 1.0 0.37500 0.54167 0.50000 1.0000 + Cr Cr277 1.0 0.95833 0.04167 0.50000 1.0000 + Cr Cr278 1.0 0.00000 0.08333 0.50000 1.0000 + Cr Cr279 1.0 0.04167 0.12500 0.50000 1.0000 + Cr Cr280 1.0 0.08333 0.16667 0.50000 1.0000 + Cr Cr281 1.0 0.12500 0.20833 0.50000 1.0000 + Cr Cr282 1.0 0.16667 0.25000 0.50000 1.0000 + Cr Cr283 1.0 0.20833 0.29167 0.50000 1.0000 + Cr Cr284 1.0 0.25000 0.33333 0.50000 1.0000 + Cr Cr285 1.0 0.29167 0.37500 0.50000 1.0000 + Cr Cr286 1.0 0.33333 0.41667 0.50000 1.0000 + Cr Cr287 1.0 0.37500 0.45833 0.50000 1.0000 + Cr Cr288 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 0.00000 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 1.00000 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 1.00000 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 0.00000 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 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0.39628 0.66047 1.0000 + O O2159 1.0 0.42376 0.43795 0.66047 1.0000 + O O2160 1.0 0.46543 0.47961 0.66047 1.0000 + O O2161 1.0 0.54876 0.52039 0.66047 1.0000 + O O2162 1.0 0.59043 0.56205 0.66047 1.0000 + O O2163 1.0 0.63209 0.60372 0.66047 1.0000 + O O2164 1.0 0.67376 0.64539 0.66047 1.0000 + O O2165 1.0 0.71543 0.68705 0.66047 1.0000 + O O2166 1.0 0.75709 0.72872 0.66047 1.0000 + O O2167 1.0 0.79876 0.77039 0.66047 1.0000 + O O2168 1.0 0.84043 0.81205 0.66047 1.0000 + O O2169 1.0 0.88209 0.85372 0.66047 1.0000 + O O2170 1.0 0.92376 0.89539 0.66047 1.0000 + O O2171 1.0 0.96543 0.93705 0.66047 1.0000 + O O2172 1.0 0.00709 0.97872 0.66047 1.0000 + O O2173 1.0 0.59043 0.47872 0.66047 1.0000 + O O2174 1.0 0.63209 0.52039 0.66047 1.0000 + O O2175 1.0 0.67376 0.56205 0.66047 1.0000 + O O2176 1.0 0.71543 0.60372 0.66047 1.0000 + O O2177 1.0 0.75709 0.64539 0.66047 1.0000 + O O2178 1.0 0.79876 0.68705 0.66047 1.0000 + O O2179 1.0 0.84043 0.72872 0.66047 1.0000 + O O2180 1.0 0.88209 0.77039 0.66047 1.0000 + O O2181 1.0 0.92376 0.81205 0.66047 1.0000 + O O2182 1.0 0.96543 0.85372 0.66047 1.0000 + O O2183 1.0 0.00709 0.89539 0.66047 1.0000 + O O2184 1.0 0.04876 0.93705 0.66047 1.0000 + O O2185 1.0 0.63209 0.43705 0.66047 1.0000 + O O2186 1.0 0.67376 0.47872 0.66047 1.0000 + O O2187 1.0 0.71543 0.52039 0.66047 1.0000 + O O2188 1.0 0.75709 0.56205 0.66047 1.0000 + O O2189 1.0 0.79876 0.60372 0.66047 1.0000 + O O2190 1.0 0.84043 0.64539 0.66047 1.0000 + O O2191 1.0 0.88209 0.68705 0.66047 1.0000 + O O2192 1.0 0.92376 0.72872 0.66047 1.0000 + O O2193 1.0 0.96543 0.77039 0.66047 1.0000 + O O2194 1.0 0.00709 0.81205 0.66047 1.0000 + O O2195 1.0 0.04876 0.85372 0.66047 1.0000 + O O2196 1.0 0.09043 0.89539 0.66047 1.0000 + O O2197 1.0 0.67376 0.39539 0.66047 1.0000 + O O2198 1.0 0.71543 0.43705 0.66047 1.0000 + O O2199 1.0 0.75709 0.47872 0.66047 1.0000 + O O2200 1.0 0.79876 0.52039 0.66047 1.0000 + O O2201 1.0 0.84043 0.56205 0.66047 1.0000 + O O2202 1.0 0.88209 0.60372 0.66047 1.0000 + O O2203 1.0 0.92376 0.64539 0.66047 1.0000 + O O2204 1.0 0.96543 0.68705 0.66047 1.0000 + O O2205 1.0 0.00709 0.72872 0.66047 1.0000 + O O2206 1.0 0.04876 0.77039 0.66047 1.0000 + O O2207 1.0 0.09043 0.81205 0.66047 1.0000 + O O2208 1.0 0.13209 0.85372 0.66047 1.0000 + O O2209 1.0 0.71543 0.35372 0.66047 1.0000 + O O2210 1.0 0.75709 0.39539 0.66047 1.0000 + O O2211 1.0 0.79876 0.43705 0.66047 1.0000 + O O2212 1.0 0.84043 0.47872 0.66047 1.0000 + O O2213 1.0 0.88209 0.52039 0.66047 1.0000 + O O2214 1.0 0.92376 0.56205 0.66047 1.0000 + O O2215 1.0 0.96543 0.60372 0.66047 1.0000 + O O2216 1.0 0.00709 0.64539 0.66047 1.0000 + O O2217 1.0 0.04876 0.68705 0.66047 1.0000 + O O2218 1.0 0.09043 0.72872 0.66047 1.0000 + O O2219 1.0 0.13209 0.77039 0.66047 1.0000 + O O2220 1.0 0.17376 0.81205 0.66047 1.0000 + O O2221 1.0 0.75709 0.31205 0.66047 1.0000 + O O2222 1.0 0.79876 0.35372 0.66047 1.0000 + O O2223 1.0 0.84043 0.39539 0.66047 1.0000 + O O2224 1.0 0.88209 0.43705 0.66047 1.0000 + O O2225 1.0 0.92376 0.47872 0.66047 1.0000 + O O2226 1.0 0.96543 0.52039 0.66047 1.0000 + O O2227 1.0 0.00709 0.56205 0.66047 1.0000 + O O2228 1.0 0.04876 0.60372 0.66047 1.0000 + O O2229 1.0 0.09043 0.64539 0.66047 1.0000 + O O2230 1.0 0.13209 0.68705 0.66047 1.0000 + O O2231 1.0 0.17376 0.72872 0.66047 1.0000 + O O2232 1.0 0.21543 0.77039 0.66047 1.0000 + O O2233 1.0 0.79876 0.27039 0.66047 1.0000 + O O2234 1.0 0.84043 0.31205 0.66047 1.0000 + O O2235 1.0 0.88209 0.35372 0.66047 1.0000 + O O2236 1.0 0.92376 0.39539 0.66047 1.0000 + O O2237 1.0 0.96543 0.43705 0.66047 1.0000 + O O2238 1.0 0.00709 0.47872 0.66047 1.0000 + O O2239 1.0 0.04876 0.52039 0.66047 1.0000 + O O2240 1.0 0.09043 0.56205 0.66047 1.0000 + O O2241 1.0 0.13209 0.60372 0.66047 1.0000 + O O2242 1.0 0.17376 0.64539 0.66047 1.0000 + O O2243 1.0 0.21543 0.68705 0.66047 1.0000 + O O2244 1.0 0.25709 0.72872 0.66047 1.0000 + O O2245 1.0 0.84043 0.22872 0.66047 1.0000 + O O2246 1.0 0.88209 0.27039 0.66047 1.0000 + O O2247 1.0 0.92376 0.31205 0.66047 1.0000 + O O2248 1.0 0.96543 0.35372 0.66047 1.0000 + O O2249 1.0 0.00709 0.39539 0.66047 1.0000 + O O2250 1.0 0.04876 0.43705 0.66047 1.0000 + O O2251 1.0 0.09043 0.47872 0.66047 1.0000 + O O2252 1.0 0.13209 0.52039 0.66047 1.0000 + O O2253 1.0 0.17376 0.56205 0.66047 1.0000 + O O2254 1.0 0.21543 0.60372 0.66047 1.0000 + O O2255 1.0 0.25709 0.64539 0.66047 1.0000 + O O2256 1.0 0.29876 0.68705 0.66047 1.0000 + O O2257 1.0 0.88209 0.18705 0.66047 1.0000 + O O2258 1.0 0.92376 0.22872 0.66047 1.0000 + O O2259 1.0 0.96543 0.27039 0.66047 1.0000 + O O2260 1.0 0.00709 0.31205 0.66047 1.0000 + O O2261 1.0 0.04876 0.35372 0.66047 1.0000 + O O2262 1.0 0.09043 0.39539 0.66047 1.0000 + O O2263 1.0 0.13209 0.43705 0.66047 1.0000 + O O2264 1.0 0.17376 0.47872 0.66047 1.0000 + O O2265 1.0 0.21543 0.52039 0.66047 1.0000 + O O2266 1.0 0.25709 0.56205 0.66047 1.0000 + O O2267 1.0 0.29876 0.60372 0.66047 1.0000 + O O2268 1.0 0.34043 0.64539 0.66047 1.0000 + O O2269 1.0 0.92376 0.14539 0.66047 1.0000 + O O2270 1.0 0.96543 0.18705 0.66047 1.0000 + O O2271 1.0 0.00709 0.22872 0.66047 1.0000 + O O2272 1.0 0.04876 0.27039 0.66047 1.0000 + O O2273 1.0 0.09043 0.31205 0.66047 1.0000 + O O2274 1.0 0.13209 0.35372 0.66047 1.0000 + O O2275 1.0 0.17376 0.39539 0.66047 1.0000 + O O2276 1.0 0.21543 0.43705 0.66047 1.0000 + O O2277 1.0 0.25709 0.47872 0.66047 1.0000 + O O2278 1.0 0.29876 0.52039 0.66047 1.0000 + O O2279 1.0 0.34043 0.56205 0.66047 1.0000 + O O2280 1.0 0.38209 0.60372 0.66047 1.0000 + O O2281 1.0 0.96543 0.10372 0.66047 1.0000 + O O2282 1.0 0.00709 0.14539 0.66047 1.0000 + O O2283 1.0 0.04876 0.18705 0.66047 1.0000 + O O2284 1.0 0.09043 0.22872 0.66047 1.0000 + O O2285 1.0 0.13209 0.27039 0.66047 1.0000 + O O2286 1.0 0.17376 0.31205 0.66047 1.0000 + O O2287 1.0 0.21543 0.35372 0.66047 1.0000 + O O2288 1.0 0.25709 0.39539 0.66047 1.0000 + O O2289 1.0 0.29876 0.43705 0.66047 1.0000 + O O2290 1.0 0.34043 0.47872 0.66047 1.0000 + O O2291 1.0 0.38209 0.52039 0.66047 1.0000 + O O2292 1.0 0.42376 0.56205 0.66047 1.0000 + O O2293 1.0 0.00709 0.06205 0.66047 1.0000 + O O2294 1.0 0.04876 0.10372 0.66047 1.0000 + O O2295 1.0 0.09043 0.14539 0.66047 1.0000 + O O2296 1.0 0.13209 0.18705 0.66047 1.0000 + O O2297 1.0 0.17376 0.22872 0.66047 1.0000 + O O2298 1.0 0.21543 0.27039 0.66047 1.0000 + O O2299 1.0 0.25709 0.31205 0.66047 1.0000 + O O2300 1.0 0.29876 0.35372 0.66047 1.0000 + O O2301 1.0 0.34043 0.39539 0.66047 1.0000 + O O2302 1.0 0.38209 0.43705 0.66047 1.0000 + O O2303 1.0 0.42376 0.47872 0.66047 1.0000 + O O2304 1.0 0.46543 0.52039 0.66047 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5126_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5126_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..7ed40aca4c0894c46145d0e2c5088443f24033b2 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5126_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Sn256O512Sn256O512 +_chemical_formula_sum "Sn512 O1024" +_cell_length_a 89.4953 +_cell_length_b 51.6702 +_cell_length_c 6.01904 +_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 0.04167 0.00000 0.50000 1.0000 + Sn Sn2 1.0 0.07292 0.03125 0.50000 1.0000 + Sn Sn3 1.0 0.10417 0.06250 0.50000 1.0000 + Sn Sn4 1.0 0.13542 0.09375 0.50000 1.0000 + Sn Sn5 1.0 0.16667 0.12500 0.50000 1.0000 + Sn Sn6 1.0 0.19792 0.15625 0.50000 1.0000 + Sn Sn7 1.0 0.22917 0.18750 0.50000 1.0000 + Sn Sn8 1.0 0.26042 0.21875 0.50000 1.0000 + Sn Sn9 1.0 0.29167 0.25000 0.50000 1.0000 + Sn Sn10 1.0 0.32292 0.28125 0.50000 1.0000 + Sn Sn11 1.0 0.35417 0.31250 0.50000 1.0000 + Sn Sn12 1.0 0.38542 0.34375 0.50000 1.0000 + Sn Sn13 1.0 0.41667 0.37500 0.50000 1.0000 + Sn Sn14 1.0 0.44792 0.40625 0.50000 1.0000 + Sn Sn15 1.0 0.47917 0.43750 0.50000 1.0000 + Sn Sn16 1.0 0.51042 0.46875 0.50000 1.0000 + Sn Sn17 1.0 0.07292 0.96875 0.50000 1.0000 + Sn Sn18 1.0 0.10417 0.00000 0.50000 1.0000 + Sn Sn19 1.0 0.13542 0.03125 0.50000 1.0000 + Sn Sn20 1.0 0.16667 0.06250 0.50000 1.0000 + Sn Sn21 1.0 0.19792 0.09375 0.50000 1.0000 + Sn Sn22 1.0 0.22917 0.12500 0.50000 1.0000 + Sn Sn23 1.0 0.26042 0.15625 0.50000 1.0000 + Sn Sn24 1.0 0.29167 0.18750 0.50000 1.0000 + Sn Sn25 1.0 0.32292 0.21875 0.50000 1.0000 + Sn Sn26 1.0 0.35417 0.25000 0.50000 1.0000 + Sn Sn27 1.0 0.38542 0.28125 0.50000 1.0000 + Sn Sn28 1.0 0.41667 0.31250 0.50000 1.0000 + Sn Sn29 1.0 0.44792 0.34375 0.50000 1.0000 + Sn Sn30 1.0 0.47917 0.37500 0.50000 1.0000 + Sn Sn31 1.0 0.51042 0.40625 0.50000 1.0000 + Sn Sn32 1.0 0.54167 0.43750 0.50000 1.0000 + Sn Sn33 1.0 0.10417 0.93750 0.50000 1.0000 + Sn Sn34 1.0 0.13542 0.96875 0.50000 1.0000 + Sn Sn35 1.0 0.16667 0.00000 0.50000 1.0000 + Sn Sn36 1.0 0.19792 0.03125 0.50000 1.0000 + Sn Sn37 1.0 0.22917 0.06250 0.50000 1.0000 + Sn Sn38 1.0 0.26042 0.09375 0.50000 1.0000 + Sn Sn39 1.0 0.29167 0.12500 0.50000 1.0000 + Sn Sn40 1.0 0.32292 0.15625 0.50000 1.0000 + Sn Sn41 1.0 0.35417 0.18750 0.50000 1.0000 + Sn Sn42 1.0 0.38542 0.21875 0.50000 1.0000 + Sn Sn43 1.0 0.41667 0.25000 0.50000 1.0000 + Sn Sn44 1.0 0.44792 0.28125 0.50000 1.0000 + Sn Sn45 1.0 0.47917 0.31250 0.50000 1.0000 + Sn Sn46 1.0 0.51042 0.34375 0.50000 1.0000 + Sn Sn47 1.0 0.54167 0.37500 0.50000 1.0000 + Sn Sn48 1.0 0.57292 0.40625 0.50000 1.0000 + Sn Sn49 1.0 0.13542 0.90625 0.50000 1.0000 + Sn Sn50 1.0 0.16667 0.93750 0.50000 1.0000 + Sn Sn51 1.0 0.19792 0.96875 0.50000 1.0000 + Sn Sn52 1.0 0.22917 0.00000 0.50000 1.0000 + Sn Sn53 1.0 0.26042 0.03125 0.50000 1.0000 + Sn Sn54 1.0 0.29167 0.06250 0.50000 1.0000 + Sn Sn55 1.0 0.32292 0.09375 0.50000 1.0000 + Sn Sn56 1.0 0.35417 0.12500 0.50000 1.0000 + Sn Sn57 1.0 0.38542 0.15625 0.50000 1.0000 + Sn Sn58 1.0 0.41667 0.18750 0.50000 1.0000 + Sn Sn59 1.0 0.44792 0.21875 0.50000 1.0000 + Sn Sn60 1.0 0.47917 0.25000 0.50000 1.0000 + Sn Sn61 1.0 0.51042 0.28125 0.50000 1.0000 + Sn Sn62 1.0 0.54167 0.31250 0.50000 1.0000 + Sn Sn63 1.0 0.57292 0.34375 0.50000 1.0000 + Sn Sn64 1.0 0.60417 0.37500 0.50000 1.0000 + Sn Sn65 1.0 0.16667 0.87500 0.50000 1.0000 + Sn Sn66 1.0 0.19792 0.90625 0.50000 1.0000 + Sn Sn67 1.0 0.22917 0.93750 0.50000 1.0000 + Sn Sn68 1.0 0.26042 0.96875 0.50000 1.0000 + Sn Sn69 1.0 0.29167 1.00000 0.50000 1.0000 + Sn Sn70 1.0 0.32292 0.03125 0.50000 1.0000 + Sn Sn71 1.0 0.35417 0.06250 0.50000 1.0000 + Sn Sn72 1.0 0.38542 0.09375 0.50000 1.0000 + Sn Sn73 1.0 0.41667 0.12500 0.50000 1.0000 + Sn Sn74 1.0 0.44792 0.15625 0.50000 1.0000 + Sn Sn75 1.0 0.47917 0.18750 0.50000 1.0000 + Sn Sn76 1.0 0.51042 0.21875 0.50000 1.0000 + Sn Sn77 1.0 0.54167 0.25000 0.50000 1.0000 + Sn Sn78 1.0 0.57292 0.28125 0.50000 1.0000 + Sn Sn79 1.0 0.60417 0.31250 0.50000 1.0000 + Sn Sn80 1.0 0.63542 0.34375 0.50000 1.0000 + Sn Sn81 1.0 0.19792 0.84375 0.50000 1.0000 + Sn Sn82 1.0 0.22917 0.87500 0.50000 1.0000 + Sn Sn83 1.0 0.26042 0.90625 0.50000 1.0000 + Sn Sn84 1.0 0.29167 0.93750 0.50000 1.0000 + Sn Sn85 1.0 0.32292 0.96875 0.50000 1.0000 + Sn Sn86 1.0 0.35417 0.00000 0.50000 1.0000 + Sn Sn87 1.0 0.38542 0.03125 0.50000 1.0000 + Sn Sn88 1.0 0.41667 0.06250 0.50000 1.0000 + Sn Sn89 1.0 0.44792 0.09375 0.50000 1.0000 + Sn Sn90 1.0 0.47917 0.12500 0.50000 1.0000 + Sn Sn91 1.0 0.51042 0.15625 0.50000 1.0000 + Sn Sn92 1.0 0.54167 0.18750 0.50000 1.0000 + Sn Sn93 1.0 0.57292 0.21875 0.50000 1.0000 + Sn Sn94 1.0 0.60417 0.25000 0.50000 1.0000 + Sn Sn95 1.0 0.63542 0.28125 0.50000 1.0000 + Sn Sn96 1.0 0.66667 0.31250 0.50000 1.0000 + Sn Sn97 1.0 0.22917 0.81250 0.50000 1.0000 + Sn Sn98 1.0 0.26042 0.84375 0.50000 1.0000 + Sn Sn99 1.0 0.29167 0.87500 0.50000 1.0000 + Sn Sn100 1.0 0.32292 0.90625 0.50000 1.0000 + Sn Sn101 1.0 0.35417 0.93750 0.50000 1.0000 + Sn Sn102 1.0 0.38542 0.96875 0.50000 1.0000 + Sn Sn103 1.0 0.41667 0.00000 0.50000 1.0000 + Sn Sn104 1.0 0.44792 0.03125 0.50000 1.0000 + Sn Sn105 1.0 0.47917 0.06250 0.50000 1.0000 + Sn Sn106 1.0 0.51042 0.09375 0.50000 1.0000 + Sn Sn107 1.0 0.54167 0.12500 0.50000 1.0000 + Sn Sn108 1.0 0.57292 0.15625 0.50000 1.0000 + Sn Sn109 1.0 0.60417 0.18750 0.50000 1.0000 + Sn Sn110 1.0 0.63542 0.21875 0.50000 1.0000 + Sn Sn111 1.0 0.66667 0.25000 0.50000 1.0000 + Sn Sn112 1.0 0.69792 0.28125 0.50000 1.0000 + Sn Sn113 1.0 0.26042 0.78125 0.50000 1.0000 + Sn Sn114 1.0 0.29167 0.81250 0.50000 1.0000 + Sn Sn115 1.0 0.32292 0.84375 0.50000 1.0000 + Sn Sn116 1.0 0.35417 0.87500 0.50000 1.0000 + Sn Sn117 1.0 0.38542 0.90625 0.50000 1.0000 + Sn Sn118 1.0 0.41667 0.93750 0.50000 1.0000 + Sn Sn119 1.0 0.44792 0.96875 0.50000 1.0000 + Sn Sn120 1.0 0.47917 0.00000 0.50000 1.0000 + Sn Sn121 1.0 0.51042 0.03125 0.50000 1.0000 + Sn Sn122 1.0 0.54167 0.06250 0.50000 1.0000 + Sn Sn123 1.0 0.57292 0.09375 0.50000 1.0000 + Sn Sn124 1.0 0.60417 0.12500 0.50000 1.0000 + Sn Sn125 1.0 0.63542 0.15625 0.50000 1.0000 + Sn Sn126 1.0 0.66667 0.18750 0.50000 1.0000 + Sn Sn127 1.0 0.69792 0.21875 0.50000 1.0000 + Sn Sn128 1.0 0.72917 0.25000 0.50000 1.0000 + Sn Sn129 1.0 0.29167 0.75000 0.50000 1.0000 + Sn Sn130 1.0 0.32292 0.78125 0.50000 1.0000 + Sn Sn131 1.0 0.35417 0.81250 0.50000 1.0000 + Sn Sn132 1.0 0.38542 0.84375 0.50000 1.0000 + Sn Sn133 1.0 0.41667 0.87500 0.50000 1.0000 + Sn Sn134 1.0 0.44792 0.90625 0.50000 1.0000 + Sn Sn135 1.0 0.47917 0.93750 0.50000 1.0000 + Sn Sn136 1.0 0.51042 0.96875 0.50000 1.0000 + Sn Sn137 1.0 0.54167 0.00000 0.50000 1.0000 + Sn Sn138 1.0 0.57292 0.03125 0.50000 1.0000 + Sn Sn139 1.0 0.60417 0.06250 0.50000 1.0000 + Sn Sn140 1.0 0.63542 0.09375 0.50000 1.0000 + Sn Sn141 1.0 0.66667 0.12500 0.50000 1.0000 + Sn Sn142 1.0 0.69792 0.15625 0.50000 1.0000 + Sn Sn143 1.0 0.72917 0.18750 0.50000 1.0000 + Sn Sn144 1.0 0.76042 0.21875 0.50000 1.0000 + Sn Sn145 1.0 0.32292 0.71875 0.50000 1.0000 + Sn Sn146 1.0 0.35417 0.75000 0.50000 1.0000 + Sn Sn147 1.0 0.38542 0.78125 0.50000 1.0000 + Sn Sn148 1.0 0.41667 0.81250 0.50000 1.0000 + Sn Sn149 1.0 0.44792 0.84375 0.50000 1.0000 + Sn Sn150 1.0 0.47917 0.87500 0.50000 1.0000 + Sn Sn151 1.0 0.51042 0.90625 0.50000 1.0000 + Sn Sn152 1.0 0.54167 0.93750 0.50000 1.0000 + Sn Sn153 1.0 0.57292 0.96875 0.50000 1.0000 + Sn Sn154 1.0 0.60417 1.00000 0.50000 1.0000 + Sn Sn155 1.0 0.63542 0.03125 0.50000 1.0000 + Sn Sn156 1.0 0.66667 0.06250 0.50000 1.0000 + Sn Sn157 1.0 0.69792 0.09375 0.50000 1.0000 + Sn Sn158 1.0 0.72917 0.12500 0.50000 1.0000 + Sn Sn159 1.0 0.76042 0.15625 0.50000 1.0000 + Sn Sn160 1.0 0.79167 0.18750 0.50000 1.0000 + Sn Sn161 1.0 0.35417 0.68750 0.50000 1.0000 + Sn Sn162 1.0 0.38542 0.71875 0.50000 1.0000 + Sn Sn163 1.0 0.41667 0.75000 0.50000 1.0000 + Sn Sn164 1.0 0.44792 0.78125 0.50000 1.0000 + Sn Sn165 1.0 0.47917 0.81250 0.50000 1.0000 + Sn Sn166 1.0 0.51042 0.84375 0.50000 1.0000 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0.72917 0.50000 0.50000 1.0000 + Sn Sn309 1.0 0.76042 0.53125 0.50000 1.0000 + Sn Sn310 1.0 0.79167 0.56250 0.50000 1.0000 + Sn Sn311 1.0 0.82292 0.59375 0.50000 1.0000 + Sn Sn312 1.0 0.85417 0.62500 0.50000 1.0000 + Sn Sn313 1.0 0.88542 0.65625 0.50000 1.0000 + Sn Sn314 1.0 0.91667 0.68750 0.50000 1.0000 + Sn Sn315 1.0 0.94792 0.71875 0.50000 1.0000 + Sn Sn316 1.0 0.97917 0.75000 0.50000 1.0000 + Sn Sn317 1.0 0.01042 0.78125 0.50000 1.0000 + Sn Sn318 1.0 0.04167 0.81250 0.50000 1.0000 + Sn Sn319 1.0 0.07292 0.84375 0.50000 1.0000 + Sn Sn320 1.0 0.10417 0.87500 0.50000 1.0000 + Sn Sn321 1.0 0.66667 0.37500 0.50000 1.0000 + Sn Sn322 1.0 0.69792 0.40625 0.50000 1.0000 + Sn Sn323 1.0 0.72917 0.43750 0.50000 1.0000 + Sn Sn324 1.0 0.76042 0.46875 0.50000 1.0000 + Sn Sn325 1.0 0.79167 0.50000 0.50000 1.0000 + Sn Sn326 1.0 0.82292 0.53125 0.50000 1.0000 + Sn Sn327 1.0 0.85417 0.56250 0.50000 1.0000 + Sn Sn328 1.0 0.88542 0.59375 0.50000 1.0000 + Sn Sn329 1.0 0.91667 0.62500 0.50000 1.0000 + Sn Sn330 1.0 0.94792 0.65625 0.50000 1.0000 + Sn Sn331 1.0 0.97917 0.68750 0.50000 1.0000 + Sn Sn332 1.0 0.01042 0.71875 0.50000 1.0000 + Sn Sn333 1.0 0.04167 0.75000 0.50000 1.0000 + Sn Sn334 1.0 0.07292 0.78125 0.50000 1.0000 + Sn Sn335 1.0 0.10417 0.81250 0.50000 1.0000 + Sn Sn336 1.0 0.13542 0.84375 0.50000 1.0000 + Sn Sn337 1.0 0.69792 0.34375 0.50000 1.0000 + Sn Sn338 1.0 0.72917 0.37500 0.50000 1.0000 + Sn Sn339 1.0 0.76042 0.40625 0.50000 1.0000 + Sn Sn340 1.0 0.79167 0.43750 0.50000 1.0000 + Sn Sn341 1.0 0.82292 0.46875 0.50000 1.0000 + Sn Sn342 1.0 0.85417 0.50000 0.50000 1.0000 + Sn Sn343 1.0 0.88542 0.53125 0.50000 1.0000 + Sn Sn344 1.0 0.91667 0.56250 0.50000 1.0000 + Sn Sn345 1.0 0.94792 0.59375 0.50000 1.0000 + Sn Sn346 1.0 0.97917 0.62500 0.50000 1.0000 + Sn Sn347 1.0 0.01042 0.65625 0.50000 1.0000 + Sn Sn348 1.0 0.04167 0.68750 0.50000 1.0000 + Sn Sn349 1.0 0.07292 0.71875 0.50000 1.0000 + Sn Sn350 1.0 0.10417 0.75000 0.50000 1.0000 + Sn Sn351 1.0 0.13542 0.78125 0.50000 1.0000 + Sn Sn352 1.0 0.16667 0.81250 0.50000 1.0000 + Sn Sn353 1.0 0.72917 0.31250 0.50000 1.0000 + Sn Sn354 1.0 0.76042 0.34375 0.50000 1.0000 + Sn Sn355 1.0 0.79167 0.37500 0.50000 1.0000 + Sn Sn356 1.0 0.82292 0.40625 0.50000 1.0000 + Sn Sn357 1.0 0.85417 0.43750 0.50000 1.0000 + Sn Sn358 1.0 0.88542 0.46875 0.50000 1.0000 + Sn Sn359 1.0 0.91667 0.50000 0.50000 1.0000 + Sn Sn360 1.0 0.94792 0.53125 0.50000 1.0000 + Sn Sn361 1.0 0.97917 0.56250 0.50000 1.0000 + Sn Sn362 1.0 0.01042 0.59375 0.50000 1.0000 + Sn Sn363 1.0 0.04167 0.62500 0.50000 1.0000 + Sn Sn364 1.0 0.07292 0.65625 0.50000 1.0000 + Sn Sn365 1.0 0.10417 0.68750 0.50000 1.0000 + Sn Sn366 1.0 0.13542 0.71875 0.50000 1.0000 + Sn Sn367 1.0 0.16667 0.75000 0.50000 1.0000 + Sn Sn368 1.0 0.19792 0.78125 0.50000 1.0000 + Sn Sn369 1.0 0.76042 0.28125 0.50000 1.0000 + Sn Sn370 1.0 0.79167 0.31250 0.50000 1.0000 + Sn Sn371 1.0 0.82292 0.34375 0.50000 1.0000 + Sn Sn372 1.0 0.85417 0.37500 0.50000 1.0000 + Sn Sn373 1.0 0.88542 0.40625 0.50000 1.0000 + Sn Sn374 1.0 0.91667 0.43750 0.50000 1.0000 + Sn Sn375 1.0 0.94792 0.46875 0.50000 1.0000 + Sn Sn376 1.0 0.97917 0.50000 0.50000 1.0000 + Sn Sn377 1.0 0.01042 0.53125 0.50000 1.0000 + Sn Sn378 1.0 0.04167 0.56250 0.50000 1.0000 + Sn Sn379 1.0 0.07292 0.59375 0.50000 1.0000 + Sn Sn380 1.0 0.10417 0.62500 0.50000 1.0000 + Sn Sn381 1.0 0.13542 0.65625 0.50000 1.0000 + Sn Sn382 1.0 0.16667 0.68750 0.50000 1.0000 + Sn Sn383 1.0 0.19792 0.71875 0.50000 1.0000 + Sn Sn384 1.0 0.22917 0.75000 0.50000 1.0000 + Sn Sn385 1.0 0.79167 0.25000 0.50000 1.0000 + Sn Sn386 1.0 0.82292 0.28125 0.50000 1.0000 + Sn Sn387 1.0 0.85417 0.31250 0.50000 1.0000 + Sn Sn388 1.0 0.88542 0.34375 0.50000 1.0000 + Sn Sn389 1.0 0.91667 0.37500 0.50000 1.0000 + Sn Sn390 1.0 0.94792 0.40625 0.50000 1.0000 + Sn Sn391 1.0 0.97917 0.43750 0.50000 1.0000 + Sn Sn392 1.0 0.01042 0.46875 0.50000 1.0000 + Sn Sn393 1.0 0.04167 0.50000 0.50000 1.0000 + Sn Sn394 1.0 0.07292 0.53125 0.50000 1.0000 + Sn Sn395 1.0 0.10417 0.56250 0.50000 1.0000 + Sn Sn396 1.0 0.13542 0.59375 0.50000 1.0000 + Sn Sn397 1.0 0.16667 0.62500 0.50000 1.0000 + Sn Sn398 1.0 0.19792 0.65625 0.50000 1.0000 + Sn Sn399 1.0 0.22917 0.68750 0.50000 1.0000 + Sn Sn400 1.0 0.26042 0.71875 0.50000 1.0000 + Sn Sn401 1.0 0.82292 0.21875 0.50000 1.0000 + Sn Sn402 1.0 0.85417 0.25000 0.50000 1.0000 + Sn Sn403 1.0 0.88542 0.28125 0.50000 1.0000 + Sn Sn404 1.0 0.91667 0.31250 0.50000 1.0000 + Sn Sn405 1.0 0.94792 0.34375 0.50000 1.0000 + Sn Sn406 1.0 0.97917 0.37500 0.50000 1.0000 + Sn Sn407 1.0 0.01042 0.40625 0.50000 1.0000 + Sn Sn408 1.0 0.04167 0.43750 0.50000 1.0000 + Sn Sn409 1.0 0.07292 0.46875 0.50000 1.0000 + Sn Sn410 1.0 0.10417 0.50000 0.50000 1.0000 + Sn Sn411 1.0 0.13542 0.53125 0.50000 1.0000 + Sn Sn412 1.0 0.16667 0.56250 0.50000 1.0000 + Sn Sn413 1.0 0.19792 0.59375 0.50000 1.0000 + Sn Sn414 1.0 0.22917 0.62500 0.50000 1.0000 + Sn Sn415 1.0 0.26042 0.65625 0.50000 1.0000 + Sn Sn416 1.0 0.29167 0.68750 0.50000 1.0000 + Sn Sn417 1.0 0.85417 0.18750 0.50000 1.0000 + Sn Sn418 1.0 0.88542 0.21875 0.50000 1.0000 + Sn Sn419 1.0 0.91667 0.25000 0.50000 1.0000 + Sn Sn420 1.0 0.94792 0.28125 0.50000 1.0000 + Sn Sn421 1.0 0.97917 0.31250 0.50000 1.0000 + Sn Sn422 1.0 0.01042 0.34375 0.50000 1.0000 + Sn Sn423 1.0 0.04167 0.37500 0.50000 1.0000 + Sn Sn424 1.0 0.07292 0.40625 0.50000 1.0000 + Sn Sn425 1.0 0.10417 0.43750 0.50000 1.0000 + Sn Sn426 1.0 0.13542 0.46875 0.50000 1.0000 + Sn Sn427 1.0 0.16667 0.50000 0.50000 1.0000 + Sn Sn428 1.0 0.19792 0.53125 0.50000 1.0000 + Sn Sn429 1.0 0.22917 0.56250 0.50000 1.0000 + Sn Sn430 1.0 0.26042 0.59375 0.50000 1.0000 + Sn Sn431 1.0 0.29167 0.62500 0.50000 1.0000 + Sn Sn432 1.0 0.32292 0.65625 0.50000 1.0000 + Sn Sn433 1.0 0.88542 0.15625 0.50000 1.0000 + Sn Sn434 1.0 0.91667 0.18750 0.50000 1.0000 + Sn Sn435 1.0 0.94792 0.21875 0.50000 1.0000 + Sn Sn436 1.0 0.97917 0.25000 0.50000 1.0000 + Sn Sn437 1.0 0.01042 0.28125 0.50000 1.0000 + Sn Sn438 1.0 0.04167 0.31250 0.50000 1.0000 + Sn Sn439 1.0 0.07292 0.34375 0.50000 1.0000 + Sn Sn440 1.0 0.10417 0.37500 0.50000 1.0000 + Sn Sn441 1.0 0.13542 0.40625 0.50000 1.0000 + Sn Sn442 1.0 0.16667 0.43750 0.50000 1.0000 + Sn Sn443 1.0 0.19792 0.46875 0.50000 1.0000 + Sn Sn444 1.0 0.22917 0.50000 0.50000 1.0000 + Sn Sn445 1.0 0.26042 0.53125 0.50000 1.0000 + Sn Sn446 1.0 0.29167 0.56250 0.50000 1.0000 + Sn Sn447 1.0 0.32292 0.59375 0.50000 1.0000 + Sn Sn448 1.0 0.35417 0.62500 0.50000 1.0000 + Sn Sn449 1.0 0.91667 0.12500 0.50000 1.0000 + Sn Sn450 1.0 0.94792 0.15625 0.50000 1.0000 + Sn Sn451 1.0 0.97917 0.18750 0.50000 1.0000 + Sn Sn452 1.0 0.01042 0.21875 0.50000 1.0000 + Sn Sn453 1.0 0.04167 0.25000 0.50000 1.0000 + Sn Sn454 1.0 0.07292 0.28125 0.50000 1.0000 + Sn Sn455 1.0 0.10417 0.31250 0.50000 1.0000 + Sn Sn456 1.0 0.13542 0.34375 0.50000 1.0000 + Sn Sn457 1.0 0.16667 0.37500 0.50000 1.0000 + Sn Sn458 1.0 0.19792 0.40625 0.50000 1.0000 + Sn Sn459 1.0 0.22917 0.43750 0.50000 1.0000 + Sn Sn460 1.0 0.26042 0.46875 0.50000 1.0000 + Sn Sn461 1.0 0.29167 0.50000 0.50000 1.0000 + Sn Sn462 1.0 0.32292 0.53125 0.50000 1.0000 + Sn Sn463 1.0 0.35417 0.56250 0.50000 1.0000 + Sn Sn464 1.0 0.38542 0.59375 0.50000 1.0000 + Sn Sn465 1.0 0.94792 0.09375 0.50000 1.0000 + Sn Sn466 1.0 0.97917 0.12500 0.50000 1.0000 + Sn Sn467 1.0 0.01042 0.15625 0.50000 1.0000 + Sn Sn468 1.0 0.04167 0.18750 0.50000 1.0000 + Sn Sn469 1.0 0.07292 0.21875 0.50000 1.0000 + Sn Sn470 1.0 0.10417 0.25000 0.50000 1.0000 + Sn Sn471 1.0 0.13542 0.28125 0.50000 1.0000 + Sn Sn472 1.0 0.16667 0.31250 0.50000 1.0000 + Sn Sn473 1.0 0.19792 0.34375 0.50000 1.0000 + Sn Sn474 1.0 0.22917 0.37500 0.50000 1.0000 + Sn Sn475 1.0 0.26042 0.40625 0.50000 1.0000 + Sn Sn476 1.0 0.29167 0.43750 0.50000 1.0000 + Sn Sn477 1.0 0.32292 0.46875 0.50000 1.0000 + Sn Sn478 1.0 0.35417 0.50000 0.50000 1.0000 + Sn Sn479 1.0 0.38542 0.53125 0.50000 1.0000 + Sn Sn480 1.0 0.41667 0.56250 0.50000 1.0000 + Sn Sn481 1.0 0.97917 0.06250 0.50000 1.0000 + Sn Sn482 1.0 0.01042 0.09375 0.50000 1.0000 + Sn Sn483 1.0 0.04167 0.12500 0.50000 1.0000 + Sn Sn484 1.0 0.07292 0.15625 0.50000 1.0000 + Sn Sn485 1.0 0.10417 0.18750 0.50000 1.0000 + Sn Sn486 1.0 0.13542 0.21875 0.50000 1.0000 + Sn Sn487 1.0 0.16667 0.25000 0.50000 1.0000 + Sn Sn488 1.0 0.19792 0.28125 0.50000 1.0000 + Sn Sn489 1.0 0.22917 0.31250 0.50000 1.0000 + Sn Sn490 1.0 0.26042 0.34375 0.50000 1.0000 + Sn Sn491 1.0 0.29167 0.37500 0.50000 1.0000 + Sn Sn492 1.0 0.32292 0.40625 0.50000 1.0000 + Sn Sn493 1.0 0.35417 0.43750 0.50000 1.0000 + Sn Sn494 1.0 0.38542 0.46875 0.50000 1.0000 + Sn Sn495 1.0 0.41667 0.50000 0.50000 1.0000 + Sn Sn496 1.0 0.44792 0.53125 0.50000 1.0000 + Sn Sn497 1.0 0.01042 0.03125 0.50000 1.0000 + Sn Sn498 1.0 0.04167 0.06250 0.50000 1.0000 + Sn Sn499 1.0 0.07292 0.09375 0.50000 1.0000 + Sn Sn500 1.0 0.10417 0.12500 0.50000 1.0000 + Sn Sn501 1.0 0.13542 0.15625 0.50000 1.0000 + Sn Sn502 1.0 0.16667 0.18750 0.50000 1.0000 + Sn Sn503 1.0 0.19792 0.21875 0.50000 1.0000 + Sn Sn504 1.0 0.22917 0.25000 0.50000 1.0000 + Sn Sn505 1.0 0.26042 0.28125 0.50000 1.0000 + Sn Sn506 1.0 0.29167 0.31250 0.50000 1.0000 + Sn Sn507 1.0 0.32292 0.34375 0.50000 1.0000 + Sn Sn508 1.0 0.35417 0.37500 0.50000 1.0000 + Sn Sn509 1.0 0.38542 0.40625 0.50000 1.0000 + Sn Sn510 1.0 0.41667 0.43750 0.50000 1.0000 + Sn Sn511 1.0 0.44792 0.46875 0.50000 1.0000 + Sn Sn512 1.0 0.47917 0.50000 0.50000 1.0000 + O O513 1.0 0.50000 0.50000 0.66772 1.0000 + O O514 1.0 0.53125 0.53125 0.66772 1.0000 + O O515 1.0 0.56250 0.56250 0.66772 1.0000 + O O516 1.0 0.59375 0.59375 0.66772 1.0000 + O O517 1.0 0.62500 0.62500 0.66772 1.0000 + O O518 1.0 0.15625 0.15625 0.66772 1.0000 + O O519 1.0 0.68750 0.68750 0.66772 1.0000 + O O520 1.0 0.71875 0.71875 0.66772 1.0000 + O O521 1.0 0.75000 0.75000 0.66772 1.0000 + O O522 1.0 0.78125 0.78125 0.66772 1.0000 + O O523 1.0 0.31250 0.31250 0.66772 1.0000 + O O524 1.0 0.34375 0.34375 0.66772 1.0000 + O O525 1.0 0.87500 0.87500 0.66772 1.0000 + O O526 1.0 0.90625 0.90625 0.66772 1.0000 + O O527 1.0 0.93750 0.93750 0.66772 1.0000 + O O528 1.0 0.96875 0.96875 0.66772 1.0000 + O O529 1.0 0.53125 0.46875 0.66772 1.0000 + O O530 1.0 0.56250 0.50000 0.66772 1.0000 + O O531 1.0 0.59375 0.53125 0.66772 1.0000 + O O532 1.0 0.62500 0.56250 0.66772 1.0000 + O O533 1.0 0.65625 0.59375 0.66772 1.0000 + O O534 1.0 0.68750 0.62500 0.66772 1.0000 + O O535 1.0 0.71875 0.65625 0.66772 1.0000 + O O536 1.0 0.75000 0.68750 0.66772 1.0000 + O O537 1.0 0.78125 0.71875 0.66772 1.0000 + O O538 1.0 0.81250 0.75000 0.66772 1.0000 + O O539 1.0 0.84375 0.78125 0.66772 1.0000 + O O540 1.0 0.87500 0.81250 0.66772 1.0000 + O O541 1.0 0.90625 0.84375 0.66772 1.0000 + O O542 1.0 0.93750 0.87500 0.66772 1.0000 + O O543 1.0 0.96875 0.90625 0.66772 1.0000 + O O544 1.0 0.00000 0.93750 0.66772 1.0000 + O O545 1.0 0.56250 0.43750 0.66772 1.0000 + O O546 1.0 0.59375 0.46875 0.66772 1.0000 + O O547 1.0 0.62500 0.50000 0.66772 1.0000 + O O548 1.0 0.65625 0.53125 0.66772 1.0000 + O O549 1.0 0.68750 0.56250 0.66772 1.0000 + O O550 1.0 0.71875 0.59375 0.66772 1.0000 + O O551 1.0 0.75000 0.62500 0.66772 1.0000 + O O552 1.0 0.78125 0.65625 0.66772 1.0000 + O O553 1.0 0.81250 0.68750 0.66772 1.0000 + O O554 1.0 0.84375 0.71875 0.66772 1.0000 + O O555 1.0 0.87500 0.75000 0.66772 1.0000 + O O556 1.0 0.90625 0.78125 0.66772 1.0000 + O O557 1.0 0.93750 0.81250 0.66772 1.0000 + O O558 1.0 0.96875 0.84375 0.66772 1.0000 + O O559 1.0 0.00000 0.87500 0.66772 1.0000 + O O560 1.0 0.03125 0.90625 0.66772 1.0000 + O O561 1.0 0.59375 0.40625 0.66772 1.0000 + O O562 1.0 0.62500 0.43750 0.66772 1.0000 + O O563 1.0 0.65625 0.46875 0.66772 1.0000 + O O564 1.0 0.68750 0.50000 0.66772 1.0000 + O O565 1.0 0.71875 0.53125 0.66772 1.0000 + O O566 1.0 0.75000 0.56250 0.66772 1.0000 + O O567 1.0 0.78125 0.59375 0.66772 1.0000 + O O568 1.0 0.81250 0.62500 0.66772 1.0000 + O O569 1.0 0.84375 0.65625 0.66772 1.0000 + O O570 1.0 0.87500 0.68750 0.66772 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0.58333 0.33333 0.71264 1.0000 + Li Li193 1.0 0.16667 0.83333 0.71264 1.0000 + Li Li194 1.0 0.20833 0.87500 0.71264 1.0000 + Li Li195 1.0 0.25000 0.91667 0.71264 1.0000 + Li Li196 1.0 0.29167 0.95833 0.71264 1.0000 + Li Li197 1.0 0.33333 1.00000 0.71264 1.0000 + Li Li198 1.0 0.37500 0.04167 0.71264 1.0000 + Li Li199 1.0 0.41667 0.08333 0.71264 1.0000 + Li Li200 1.0 0.45833 0.12500 0.71264 1.0000 + Li Li201 1.0 0.50000 0.16667 0.71264 1.0000 + Li Li202 1.0 0.54167 0.20833 0.71264 1.0000 + Li Li203 1.0 0.58333 0.25000 0.71264 1.0000 + Li Li204 1.0 0.62500 0.29167 0.71264 1.0000 + Li Li205 1.0 0.20833 0.79167 0.71264 1.0000 + Li Li206 1.0 0.25000 0.83333 0.71264 1.0000 + Li Li207 1.0 0.29167 0.87500 0.71264 1.0000 + Li Li208 1.0 0.33333 0.91667 0.71264 1.0000 + Li Li209 1.0 0.37500 0.95833 0.71264 1.0000 + Li Li210 1.0 0.41667 1.00000 0.71264 1.0000 + Li Li211 1.0 0.45833 0.04167 0.71264 1.0000 + Li Li212 1.0 0.50000 0.08333 0.71264 1.0000 + Li Li213 1.0 0.54167 0.12500 0.71264 1.0000 + Li Li214 1.0 0.58333 0.16667 0.71264 1.0000 + Li Li215 1.0 0.62500 0.20833 0.71264 1.0000 + Li Li216 1.0 0.66667 0.25000 0.71264 1.0000 + Li Li217 1.0 0.25000 0.75000 0.71264 1.0000 + Li Li218 1.0 0.29167 0.79167 0.71264 1.0000 + Li Li219 1.0 0.33333 0.83333 0.71264 1.0000 + Li Li220 1.0 0.37500 0.87500 0.71264 1.0000 + Li Li221 1.0 0.41667 0.91667 0.71264 1.0000 + Li Li222 1.0 0.45833 0.95833 0.71264 1.0000 + Li Li223 1.0 0.50000 1.00000 0.71264 1.0000 + Li Li224 1.0 0.54167 0.04167 0.71264 1.0000 + Li Li225 1.0 0.58333 0.08333 0.71264 1.0000 + Li Li226 1.0 0.62500 0.12500 0.71264 1.0000 + Li Li227 1.0 0.66667 0.16667 0.71264 1.0000 + Li Li228 1.0 0.70833 0.20833 0.71264 1.0000 + Li Li229 1.0 0.29167 0.70833 0.71264 1.0000 + Li Li230 1.0 0.33333 0.75000 0.71264 1.0000 + Li Li231 1.0 0.37500 0.79167 0.71264 1.0000 + Li Li232 1.0 0.41667 0.83333 0.71264 1.0000 + Li Li233 1.0 0.45833 0.87500 0.71264 1.0000 + Li Li234 1.0 0.50000 0.91667 0.71264 1.0000 + Li Li235 1.0 0.54167 0.95833 0.71264 1.0000 + Li Li236 1.0 0.58333 1.00000 0.71264 1.0000 + Li Li237 1.0 0.62500 0.04167 0.71264 1.0000 + Li Li238 1.0 0.66667 0.08333 0.71264 1.0000 + Li Li239 1.0 0.70833 0.12500 0.71264 1.0000 + Li Li240 1.0 0.75000 0.16667 0.71264 1.0000 + Li Li241 1.0 0.33333 0.66667 0.71264 1.0000 + Li Li242 1.0 0.37500 0.70833 0.71264 1.0000 + Li Li243 1.0 0.41667 0.75000 0.71264 1.0000 + Li Li244 1.0 0.45833 0.79167 0.71264 1.0000 + Li Li245 1.0 0.50000 0.83333 0.71264 1.0000 + Li Li246 1.0 0.54167 0.87500 0.71264 1.0000 + Li Li247 1.0 0.58333 0.91667 0.71264 1.0000 + Li Li248 1.0 0.62500 0.95833 0.71264 1.0000 + Li Li249 1.0 0.66667 1.00000 0.71264 1.0000 + Li Li250 1.0 0.70833 0.04167 0.71264 1.0000 + Li Li251 1.0 0.75000 0.08333 0.71264 1.0000 + Li Li252 1.0 0.79167 0.12500 0.71264 1.0000 + Li Li253 1.0 0.37500 0.62500 0.71264 1.0000 + Li Li254 1.0 0.41667 0.66667 0.71264 1.0000 + Li Li255 1.0 0.45833 0.70833 0.71264 1.0000 + Li Li256 1.0 0.50000 0.75000 0.71264 1.0000 + Li Li257 1.0 0.54167 0.79167 0.71264 1.0000 + Li Li258 1.0 0.58333 0.83333 0.71264 1.0000 + Li Li259 1.0 0.62500 0.87500 0.71264 1.0000 + Li Li260 1.0 0.66667 0.91667 0.71264 1.0000 + Li Li261 1.0 0.70833 0.95833 0.71264 1.0000 + Li Li262 1.0 0.75000 1.00000 0.71264 1.0000 + Li Li263 1.0 0.79167 0.04167 0.71264 1.0000 + Li Li264 1.0 0.83333 0.08333 0.71264 1.0000 + Li Li265 1.0 0.41667 0.58333 0.71264 1.0000 + Li Li266 1.0 0.45833 0.62500 0.71264 1.0000 + Li Li267 1.0 0.50000 0.66667 0.71264 1.0000 + Li Li268 1.0 0.54167 0.70833 0.71264 1.0000 + Li Li269 1.0 0.58333 0.75000 0.71264 1.0000 + Li Li270 1.0 0.62500 0.79167 0.71264 1.0000 + Li Li271 1.0 0.66667 0.83333 0.71264 1.0000 + Li Li272 1.0 0.70833 0.87500 0.71264 1.0000 + Li Li273 1.0 0.75000 0.91667 0.71264 1.0000 + Li Li274 1.0 0.79167 0.95833 0.71264 1.0000 + Li Li275 1.0 0.83333 1.00000 0.71264 1.0000 + Li Li276 1.0 0.87500 0.04167 0.71264 1.0000 + Li Li277 1.0 0.45833 0.54167 0.71264 1.0000 + Li Li278 1.0 0.50000 0.58333 0.71264 1.0000 + Li Li279 1.0 0.54167 0.62500 0.71264 1.0000 + Li Li280 1.0 0.58333 0.66667 0.71264 1.0000 + Li Li281 1.0 0.62500 0.70833 0.71264 1.0000 + Li Li282 1.0 0.66667 0.75000 0.71264 1.0000 + Li Li283 1.0 0.70833 0.79167 0.71264 1.0000 + Li Li284 1.0 0.75000 0.83333 0.71264 1.0000 + Li Li285 1.0 0.79167 0.87500 0.71264 1.0000 + Li Li286 1.0 0.83333 0.91667 0.71264 1.0000 + Li Li287 1.0 0.87500 0.95833 0.71264 1.0000 + Li Li288 1.0 0.91667 1.00000 0.71264 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 0.04167 0.00000 0.50000 1.0000 + Mn Mn146 1.0 0.08333 0.04167 0.50000 1.0000 + Mn Mn147 1.0 0.12500 0.08333 0.50000 1.0000 + Mn Mn148 1.0 0.16667 0.12500 0.50000 1.0000 + Mn Mn149 1.0 0.20833 0.16667 0.50000 1.0000 + Mn Mn150 1.0 0.25000 0.20833 0.50000 1.0000 + Mn Mn151 1.0 0.29167 0.25000 0.50000 1.0000 + Mn Mn152 1.0 0.33333 0.29167 0.50000 1.0000 + Mn Mn153 1.0 0.37500 0.33333 0.50000 1.0000 + Mn Mn154 1.0 0.41667 0.37500 0.50000 1.0000 + Mn Mn155 1.0 0.45833 0.41667 0.50000 1.0000 + Mn Mn156 1.0 0.50000 0.45833 0.50000 1.0000 + Mn Mn157 1.0 0.08333 0.95833 0.50000 1.0000 + Mn Mn158 1.0 0.12500 0.00000 0.50000 1.0000 + Mn Mn159 1.0 0.16667 0.04167 0.50000 1.0000 + Mn Mn160 1.0 0.20833 0.08333 0.50000 1.0000 + Mn Mn161 1.0 0.25000 0.12500 0.50000 1.0000 + Mn Mn162 1.0 0.29167 0.16667 0.50000 1.0000 + Mn Mn163 1.0 0.33333 0.20833 0.50000 1.0000 + Mn Mn164 1.0 0.37500 0.25000 0.50000 1.0000 + Mn Mn165 1.0 0.41667 0.29167 0.50000 1.0000 + Mn Mn166 1.0 0.45833 0.33333 0.50000 1.0000 + Mn Mn167 1.0 0.50000 0.37500 0.50000 1.0000 + Mn Mn168 1.0 0.54167 0.41667 0.50000 1.0000 + Mn Mn169 1.0 0.12500 0.91667 0.50000 1.0000 + Mn Mn170 1.0 0.16667 0.95833 0.50000 1.0000 + Mn Mn171 1.0 0.20833 1.00000 0.50000 1.0000 + Mn Mn172 1.0 0.25000 0.04167 0.50000 1.0000 + Mn Mn173 1.0 0.29167 0.08333 0.50000 1.0000 + Mn Mn174 1.0 0.33333 0.12500 0.50000 1.0000 + Mn Mn175 1.0 0.37500 0.16667 0.50000 1.0000 + Mn Mn176 1.0 0.41667 0.20833 0.50000 1.0000 + Mn Mn177 1.0 0.45833 0.25000 0.50000 1.0000 + Mn Mn178 1.0 0.50000 0.29167 0.50000 1.0000 + Mn Mn179 1.0 0.54167 0.33333 0.50000 1.0000 + Mn Mn180 1.0 0.58333 0.37500 0.50000 1.0000 + Mn Mn181 1.0 0.16667 0.87500 0.50000 1.0000 + Mn Mn182 1.0 0.20833 0.91667 0.50000 1.0000 + Mn Mn183 1.0 0.25000 0.95833 0.50000 1.0000 + Mn Mn184 1.0 0.29167 1.00000 0.50000 1.0000 + Mn Mn185 1.0 0.33333 0.04167 0.50000 1.0000 + Mn Mn186 1.0 0.37500 0.08333 0.50000 1.0000 + Mn Mn187 1.0 0.41667 0.12500 0.50000 1.0000 + Mn Mn188 1.0 0.45833 0.16667 0.50000 1.0000 + Mn Mn189 1.0 0.50000 0.20833 0.50000 1.0000 + Mn Mn190 1.0 0.54167 0.25000 0.50000 1.0000 + Mn Mn191 1.0 0.58333 0.29167 0.50000 1.0000 + Mn Mn192 1.0 0.62500 0.33333 0.50000 1.0000 + Mn Mn193 1.0 0.20833 0.83333 0.50000 1.0000 + Mn Mn194 1.0 0.25000 0.87500 0.50000 1.0000 + Mn Mn195 1.0 0.29167 0.91667 0.50000 1.0000 + Mn Mn196 1.0 0.33333 0.95833 0.50000 1.0000 + Mn Mn197 1.0 0.37500 1.00000 0.50000 1.0000 + Mn Mn198 1.0 0.41667 0.04167 0.50000 1.0000 + Mn Mn199 1.0 0.45833 0.08333 0.50000 1.0000 + Mn Mn200 1.0 0.50000 0.12500 0.50000 1.0000 + Mn Mn201 1.0 0.54167 0.16667 0.50000 1.0000 + Mn Mn202 1.0 0.58333 0.20833 0.50000 1.0000 + Mn Mn203 1.0 0.62500 0.25000 0.50000 1.0000 + Mn Mn204 1.0 0.66667 0.29167 0.50000 1.0000 + Mn Mn205 1.0 0.25000 0.79167 0.50000 1.0000 + Mn Mn206 1.0 0.29167 0.83333 0.50000 1.0000 + Mn Mn207 1.0 0.33333 0.87500 0.50000 1.0000 + Mn Mn208 1.0 0.37500 0.91667 0.50000 1.0000 + Mn Mn209 1.0 0.41667 0.95833 0.50000 1.0000 + Mn Mn210 1.0 0.45833 1.00000 0.50000 1.0000 + Mn Mn211 1.0 0.50000 0.04167 0.50000 1.0000 + Mn Mn212 1.0 0.54167 0.08333 0.50000 1.0000 + Mn Mn213 1.0 0.58333 0.12500 0.50000 1.0000 + Mn Mn214 1.0 0.62500 0.16667 0.50000 1.0000 + Mn Mn215 1.0 0.66667 0.20833 0.50000 1.0000 + Mn Mn216 1.0 0.70833 0.25000 0.50000 1.0000 + Mn Mn217 1.0 0.29167 0.75000 0.50000 1.0000 + Mn Mn218 1.0 0.33333 0.79167 0.50000 1.0000 + Mn Mn219 1.0 0.37500 0.83333 0.50000 1.0000 + Mn Mn220 1.0 0.41667 0.87500 0.50000 1.0000 + Mn Mn221 1.0 0.45833 0.91667 0.50000 1.0000 + Mn Mn222 1.0 0.50000 0.95833 0.50000 1.0000 + Mn Mn223 1.0 0.54167 1.00000 0.50000 1.0000 + Mn Mn224 1.0 0.58333 0.04167 0.50000 1.0000 + Mn Mn225 1.0 0.62500 0.08333 0.50000 1.0000 + Mn Mn226 1.0 0.66667 0.12500 0.50000 1.0000 + Mn Mn227 1.0 0.70833 0.16667 0.50000 1.0000 + Mn Mn228 1.0 0.75000 0.20833 0.50000 1.0000 + Mn Mn229 1.0 0.33333 0.70833 0.50000 1.0000 + Mn Mn230 1.0 0.37500 0.75000 0.50000 1.0000 + Mn Mn231 1.0 0.41667 0.79167 0.50000 1.0000 + Mn Mn232 1.0 0.45833 0.83333 0.50000 1.0000 + Mn Mn233 1.0 0.50000 0.87500 0.50000 1.0000 + Mn Mn234 1.0 0.54167 0.91667 0.50000 1.0000 + Mn Mn235 1.0 0.58333 0.95833 0.50000 1.0000 + Mn Mn236 1.0 0.62500 1.00000 0.50000 1.0000 + Mn Mn237 1.0 0.66667 0.04167 0.50000 1.0000 + Mn Mn238 1.0 0.70833 0.08333 0.50000 1.0000 + Mn Mn239 1.0 0.75000 0.12500 0.50000 1.0000 + Mn Mn240 1.0 0.79167 0.16667 0.50000 1.0000 + Mn Mn241 1.0 0.37500 0.66667 0.50000 1.0000 + Mn Mn242 1.0 0.41667 0.70833 0.50000 1.0000 + Mn Mn243 1.0 0.45833 0.75000 0.50000 1.0000 + Mn Mn244 1.0 0.50000 0.79167 0.50000 1.0000 + Mn Mn245 1.0 0.54167 0.83333 0.50000 1.0000 + Mn Mn246 1.0 0.58333 0.87500 0.50000 1.0000 + Mn Mn247 1.0 0.62500 0.91667 0.50000 1.0000 + Mn Mn248 1.0 0.66667 0.95833 0.50000 1.0000 + Mn Mn249 1.0 0.70833 1.00000 0.50000 1.0000 + Mn Mn250 1.0 0.75000 0.04167 0.50000 1.0000 + Mn Mn251 1.0 0.79167 0.08333 0.50000 1.0000 + Mn Mn252 1.0 0.83333 0.12500 0.50000 1.0000 + Mn Mn253 1.0 0.41667 0.62500 0.50000 1.0000 + Mn Mn254 1.0 0.45833 0.66667 0.50000 1.0000 + Mn Mn255 1.0 0.50000 0.70833 0.50000 1.0000 + Mn Mn256 1.0 0.54167 0.75000 0.50000 1.0000 + Mn Mn257 1.0 0.58333 0.79167 0.50000 1.0000 + Mn Mn258 1.0 0.62500 0.83333 0.50000 1.0000 + Mn Mn259 1.0 0.66667 0.87500 0.50000 1.0000 + Mn Mn260 1.0 0.70833 0.91667 0.50000 1.0000 + Mn Mn261 1.0 0.75000 0.95833 0.50000 1.0000 + Mn Mn262 1.0 0.79167 1.00000 0.50000 1.0000 + Mn Mn263 1.0 0.83333 0.04167 0.50000 1.0000 + Mn Mn264 1.0 0.87500 0.08333 0.50000 1.0000 + Mn Mn265 1.0 0.45833 0.58333 0.50000 1.0000 + Mn Mn266 1.0 0.50000 0.62500 0.50000 1.0000 + Mn Mn267 1.0 0.54167 0.66667 0.50000 1.0000 + Mn Mn268 1.0 0.58333 0.70833 0.50000 1.0000 + Mn Mn269 1.0 0.62500 0.75000 0.50000 1.0000 + Mn Mn270 1.0 0.66667 0.79167 0.50000 1.0000 + Mn Mn271 1.0 0.70833 0.83333 0.50000 1.0000 + Mn Mn272 1.0 0.75000 0.87500 0.50000 1.0000 + Mn Mn273 1.0 0.79167 0.91667 0.50000 1.0000 + Mn Mn274 1.0 0.83333 0.95833 0.50000 1.0000 + Mn Mn275 1.0 0.87500 1.00000 0.50000 1.0000 + Mn Mn276 1.0 0.91667 0.04167 0.50000 1.0000 + Mn Mn277 1.0 0.50000 0.54167 0.50000 1.0000 + Mn Mn278 1.0 0.54167 0.58333 0.50000 1.0000 + Mn Mn279 1.0 0.58333 0.62500 0.50000 1.0000 + Mn Mn280 1.0 0.62500 0.66667 0.50000 1.0000 + Mn Mn281 1.0 0.66667 0.70833 0.50000 1.0000 + Mn Mn282 1.0 0.70833 0.75000 0.50000 1.0000 + Mn Mn283 1.0 0.75000 0.79167 0.50000 1.0000 + Mn Mn284 1.0 0.79167 0.83333 0.50000 1.0000 + Mn Mn285 1.0 0.83333 0.87500 0.50000 1.0000 + Mn Mn286 1.0 0.87500 0.91667 0.50000 1.0000 + Mn Mn287 1.0 0.91667 0.95833 0.50000 1.0000 + Mn Mn288 1.0 0.95833 1.00000 0.50000 1.0000 + Mn Mn289 1.0 0.02083 0.02083 0.50000 1.0000 + Mn Mn290 1.0 0.06250 0.06250 0.50000 1.0000 + Mn Mn291 1.0 0.10417 0.10417 0.50000 1.0000 + Mn Mn292 1.0 0.64583 0.64583 0.50000 1.0000 + Mn Mn293 1.0 0.18750 0.18750 0.50000 1.0000 + Mn Mn294 1.0 0.22917 0.22917 0.50000 1.0000 + Mn Mn295 1.0 0.27083 0.27083 0.50000 1.0000 + Mn Mn296 1.0 0.31250 0.31250 0.50000 1.0000 + Mn Mn297 1.0 0.35417 0.35417 0.50000 1.0000 + Mn Mn298 1.0 0.39583 0.39583 0.50000 1.0000 + Mn Mn299 1.0 0.43750 0.43750 0.50000 1.0000 + Mn Mn300 1.0 0.47917 0.47917 0.50000 1.0000 + Mn Mn301 1.0 0.06250 0.97917 0.50000 1.0000 + Mn Mn302 1.0 0.10417 0.02083 0.50000 1.0000 + Mn Mn303 1.0 0.14583 0.06250 0.50000 1.0000 + Mn Mn304 1.0 0.18750 0.10417 0.50000 1.0000 + Mn Mn305 1.0 0.22917 0.14583 0.50000 1.0000 + Mn Mn306 1.0 0.27083 0.18750 0.50000 1.0000 + Mn Mn307 1.0 0.31250 0.22917 0.50000 1.0000 + Mn Mn308 1.0 0.35417 0.27083 0.50000 1.0000 + Mn Mn309 1.0 0.39583 0.31250 0.50000 1.0000 + Mn Mn310 1.0 0.43750 0.35417 0.50000 1.0000 + Mn Mn311 1.0 0.47917 0.39583 0.50000 1.0000 + Mn Mn312 1.0 0.52083 0.43750 0.50000 1.0000 + Mn Mn313 1.0 0.10417 0.93750 0.50000 1.0000 + Mn Mn314 1.0 0.14583 0.97917 0.50000 1.0000 + Mn Mn315 1.0 0.18750 0.02083 0.50000 1.0000 + Mn Mn316 1.0 0.22917 0.06250 0.50000 1.0000 + Mn Mn317 1.0 0.27083 0.10417 0.50000 1.0000 + Mn Mn318 1.0 0.31250 0.14583 0.50000 1.0000 + Mn Mn319 1.0 0.35417 0.18750 0.50000 1.0000 + Mn Mn320 1.0 0.39583 0.22917 0.50000 1.0000 + Mn Mn321 1.0 0.43750 0.27083 0.50000 1.0000 + Mn Mn322 1.0 0.47917 0.31250 0.50000 1.0000 + Mn Mn323 1.0 0.52083 0.35417 0.50000 1.0000 + Mn Mn324 1.0 0.56250 0.39583 0.50000 1.0000 + Mn Mn325 1.0 0.14583 0.89583 0.50000 1.0000 + Mn Mn326 1.0 0.18750 0.93750 0.50000 1.0000 + Mn Mn327 1.0 0.22917 0.97917 0.50000 1.0000 + Mn Mn328 1.0 0.27083 0.02083 0.50000 1.0000 + Mn Mn329 1.0 0.31250 0.06250 0.50000 1.0000 + Mn Mn330 1.0 0.35417 0.10417 0.50000 1.0000 + Mn Mn331 1.0 0.39583 0.14583 0.50000 1.0000 + Mn Mn332 1.0 0.43750 0.18750 0.50000 1.0000 + Mn Mn333 1.0 0.47917 0.22917 0.50000 1.0000 + Mn Mn334 1.0 0.52083 0.27083 0.50000 1.0000 + Mn Mn335 1.0 0.56250 0.31250 0.50000 1.0000 + Mn Mn336 1.0 0.60417 0.35417 0.50000 1.0000 + Mn Mn337 1.0 0.18750 0.85417 0.50000 1.0000 + Mn Mn338 1.0 0.22917 0.89583 0.50000 1.0000 + Mn Mn339 1.0 0.27083 0.93750 0.50000 1.0000 + Mn Mn340 1.0 0.31250 0.97917 0.50000 1.0000 + Mn Mn341 1.0 0.35417 0.02083 0.50000 1.0000 + Mn Mn342 1.0 0.39583 0.06250 0.50000 1.0000 + Mn Mn343 1.0 0.43750 0.10417 0.50000 1.0000 + Mn Mn344 1.0 0.47917 0.14583 0.50000 1.0000 + Mn Mn345 1.0 0.52083 0.18750 0.50000 1.0000 + Mn Mn346 1.0 0.56250 0.22917 0.50000 1.0000 + Mn Mn347 1.0 0.60417 0.27083 0.50000 1.0000 + Mn Mn348 1.0 0.64583 0.31250 0.50000 1.0000 + Mn Mn349 1.0 0.22917 0.81250 0.50000 1.0000 + Mn Mn350 1.0 0.27083 0.85417 0.50000 1.0000 + Mn Mn351 1.0 0.31250 0.89583 0.50000 1.0000 + Mn Mn352 1.0 0.35417 0.93750 0.50000 1.0000 + Mn Mn353 1.0 0.39583 0.97917 0.50000 1.0000 + Mn Mn354 1.0 0.43750 0.02083 0.50000 1.0000 + Mn Mn355 1.0 0.47917 0.06250 0.50000 1.0000 + Mn Mn356 1.0 0.52083 0.10417 0.50000 1.0000 + Mn Mn357 1.0 0.56250 0.14583 0.50000 1.0000 + Mn Mn358 1.0 0.60417 0.18750 0.50000 1.0000 + Mn Mn359 1.0 0.64583 0.22917 0.50000 1.0000 + Mn Mn360 1.0 0.68750 0.27083 0.50000 1.0000 + Mn Mn361 1.0 0.27083 0.77083 0.50000 1.0000 + Mn Mn362 1.0 0.31250 0.81250 0.50000 1.0000 + Mn Mn363 1.0 0.35417 0.85417 0.50000 1.0000 + Mn Mn364 1.0 0.39583 0.89583 0.50000 1.0000 + Mn Mn365 1.0 0.43750 0.93750 0.50000 1.0000 + Mn Mn366 1.0 0.47917 0.97917 0.50000 1.0000 + Mn Mn367 1.0 0.52083 0.02083 0.50000 1.0000 + Mn Mn368 1.0 0.56250 0.06250 0.50000 1.0000 + Mn Mn369 1.0 0.60417 0.10417 0.50000 1.0000 + Mn Mn370 1.0 0.64583 0.14583 0.50000 1.0000 + Mn Mn371 1.0 0.68750 0.18750 0.50000 1.0000 + Mn Mn372 1.0 0.72917 0.22917 0.50000 1.0000 + Mn Mn373 1.0 0.31250 0.72917 0.50000 1.0000 + Mn Mn374 1.0 0.35417 0.77083 0.50000 1.0000 + Mn Mn375 1.0 0.39583 0.81250 0.50000 1.0000 + Mn Mn376 1.0 0.43750 0.85417 0.50000 1.0000 + Mn Mn377 1.0 0.47917 0.89583 0.50000 1.0000 + Mn Mn378 1.0 0.52083 0.93750 0.50000 1.0000 + Mn Mn379 1.0 0.56250 0.97917 0.50000 1.0000 + Mn Mn380 1.0 0.60417 0.02083 0.50000 1.0000 + Mn Mn381 1.0 0.64583 0.06250 0.50000 1.0000 + Mn Mn382 1.0 0.68750 0.10417 0.50000 1.0000 + Mn Mn383 1.0 0.72917 0.14583 0.50000 1.0000 + Mn Mn384 1.0 0.77083 0.18750 0.50000 1.0000 + Mn Mn385 1.0 0.35417 0.68750 0.50000 1.0000 + Mn Mn386 1.0 0.39583 0.72917 0.50000 1.0000 + Mn Mn387 1.0 0.43750 0.77083 0.50000 1.0000 + Mn Mn388 1.0 0.47917 0.81250 0.50000 1.0000 + Mn Mn389 1.0 0.52083 0.85417 0.50000 1.0000 + Mn Mn390 1.0 0.56250 0.89583 0.50000 1.0000 + Mn Mn391 1.0 0.60417 0.93750 0.50000 1.0000 + Mn Mn392 1.0 0.64583 0.97917 0.50000 1.0000 + Mn Mn393 1.0 0.68750 0.02083 0.50000 1.0000 + Mn Mn394 1.0 0.72917 0.06250 0.50000 1.0000 + Mn Mn395 1.0 0.77083 0.10417 0.50000 1.0000 + Mn Mn396 1.0 0.81250 0.14583 0.50000 1.0000 + Mn Mn397 1.0 0.39583 0.64583 0.50000 1.0000 + Mn Mn398 1.0 0.43750 0.68750 0.50000 1.0000 + Mn Mn399 1.0 0.47917 0.72917 0.50000 1.0000 + Mn Mn400 1.0 0.52083 0.77083 0.50000 1.0000 + Mn Mn401 1.0 0.56250 0.81250 0.50000 1.0000 + Mn Mn402 1.0 0.60417 0.85417 0.50000 1.0000 + Mn Mn403 1.0 0.64583 0.89583 0.50000 1.0000 + Mn Mn404 1.0 0.68750 0.93750 0.50000 1.0000 + Mn Mn405 1.0 0.72917 0.97917 0.50000 1.0000 + Mn Mn406 1.0 0.77083 0.02083 0.50000 1.0000 + Mn Mn407 1.0 0.81250 0.06250 0.50000 1.0000 + Mn Mn408 1.0 0.85417 0.10417 0.50000 1.0000 + Mn Mn409 1.0 0.43750 0.60417 0.50000 1.0000 + Mn Mn410 1.0 0.47917 0.64583 0.50000 1.0000 + Mn Mn411 1.0 0.52083 0.68750 0.50000 1.0000 + Mn Mn412 1.0 0.56250 0.72917 0.50000 1.0000 + Mn Mn413 1.0 0.60417 0.77083 0.50000 1.0000 + Mn Mn414 1.0 0.64583 0.81250 0.50000 1.0000 + Mn Mn415 1.0 0.68750 0.85417 0.50000 1.0000 + Mn Mn416 1.0 0.72917 0.89583 0.50000 1.0000 + Mn Mn417 1.0 0.77083 0.93750 0.50000 1.0000 + Mn Mn418 1.0 0.81250 0.97917 0.50000 1.0000 + Mn Mn419 1.0 0.85417 0.02083 0.50000 1.0000 + Mn Mn420 1.0 0.89583 0.06250 0.50000 1.0000 + Mn Mn421 1.0 0.47917 0.56250 0.50000 1.0000 + Mn Mn422 1.0 0.52083 0.60417 0.50000 1.0000 + Mn Mn423 1.0 0.56250 0.64583 0.50000 1.0000 + Mn Mn424 1.0 0.60417 0.68750 0.50000 1.0000 + Mn Mn425 1.0 0.64583 0.72917 0.50000 1.0000 + Mn Mn426 1.0 0.68750 0.77083 0.50000 1.0000 + Mn Mn427 1.0 0.72917 0.81250 0.50000 1.0000 + Mn Mn428 1.0 0.77083 0.85417 0.50000 1.0000 + Mn Mn429 1.0 0.81250 0.89583 0.50000 1.0000 + Mn Mn430 1.0 0.85417 0.93750 0.50000 1.0000 + Mn Mn431 1.0 0.89583 0.97917 0.50000 1.0000 + Mn Mn432 1.0 0.93750 0.02083 0.50000 1.0000 + F F1 1.0 0.03476 0.97905 0.65539 1.0000 + F F2 1.0 0.07643 0.02072 0.65539 1.0000 + F F3 1.0 0.11809 0.06239 0.65539 1.0000 + F F4 1.0 0.15976 0.10405 0.65539 1.0000 + F F5 1.0 0.20143 0.14572 0.65539 1.0000 + F F6 1.0 0.24309 0.18739 0.65539 1.0000 + F F7 1.0 0.28476 0.22905 0.65539 1.0000 + F F8 1.0 0.32643 0.27072 0.65539 1.0000 + F F9 1.0 0.36809 0.31239 0.65539 1.0000 + F F10 1.0 0.40976 0.35405 0.65539 1.0000 + F F11 1.0 0.45143 0.39572 0.65539 1.0000 + F F12 1.0 0.49309 0.43739 0.65539 1.0000 + F F13 1.0 0.07643 0.93739 0.65539 1.0000 + F F14 1.0 0.11809 0.97905 0.65539 1.0000 + F F15 1.0 0.15976 0.02072 0.65539 1.0000 + F F16 1.0 0.20143 0.06239 0.65539 1.0000 + F F17 1.0 0.24309 0.10405 0.65539 1.0000 + F F18 1.0 0.28476 0.14572 0.65539 1.0000 + F F19 1.0 0.32643 0.18739 0.65539 1.0000 + F F20 1.0 0.36809 0.22905 0.65539 1.0000 + F F21 1.0 0.40976 0.27072 0.65539 1.0000 + F F22 1.0 0.45143 0.31239 0.65539 1.0000 + F F23 1.0 0.49309 0.35405 0.65539 1.0000 + F F24 1.0 0.53476 0.39572 0.65539 1.0000 + F F25 1.0 0.11809 0.89572 0.65539 1.0000 + F F26 1.0 0.15976 0.93739 0.65539 1.0000 + F F27 1.0 0.20143 0.97905 0.65539 1.0000 + F F28 1.0 0.24309 0.02072 0.65539 1.0000 + F F29 1.0 0.28476 0.06239 0.65539 1.0000 + F F30 1.0 0.32643 0.10405 0.65539 1.0000 + F F31 1.0 0.36809 0.14572 0.65539 1.0000 + F F32 1.0 0.40976 0.18739 0.65539 1.0000 + F F33 1.0 0.45143 0.22905 0.65539 1.0000 + F F34 1.0 0.49309 0.27072 0.65539 1.0000 + F F35 1.0 0.53476 0.31239 0.65539 1.0000 + F F36 1.0 0.57643 0.35405 0.65539 1.0000 + F F37 1.0 0.15976 0.85405 0.65539 1.0000 + F F38 1.0 0.20143 0.89572 0.65539 1.0000 + F F39 1.0 0.24309 0.93739 0.65539 1.0000 + F F40 1.0 0.28476 0.97905 0.65539 1.0000 + F F41 1.0 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0.66667 0.33333 0.71264 1.0000 + Li Li482 1.0 0.70833 0.37500 0.71264 1.0000 + Li Li483 1.0 0.75000 0.41667 0.71264 1.0000 + Li Li484 1.0 0.79167 0.45833 0.71264 1.0000 + Li Li485 1.0 0.83333 0.50000 0.71264 1.0000 + Li Li486 1.0 0.87500 0.54167 0.71264 1.0000 + Li Li487 1.0 0.91667 0.58333 0.71264 1.0000 + Li Li488 1.0 0.95833 0.62500 0.71264 1.0000 + Li Li489 1.0 0.00000 0.66667 0.71264 1.0000 + Li Li490 1.0 0.04167 0.70833 0.71264 1.0000 + Li Li491 1.0 0.08333 0.75000 0.71264 1.0000 + Li Li492 1.0 0.12500 0.79167 0.71264 1.0000 + Li Li493 1.0 0.70833 0.29167 0.71264 1.0000 + Li Li494 1.0 0.75000 0.33333 0.71264 1.0000 + Li Li495 1.0 0.79167 0.37500 0.71264 1.0000 + Li Li496 1.0 0.83333 0.41667 0.71264 1.0000 + Li Li497 1.0 0.87500 0.45833 0.71264 1.0000 + Li Li498 1.0 0.91667 0.50000 0.71264 1.0000 + Li Li499 1.0 0.95833 0.54167 0.71264 1.0000 + Li Li500 1.0 0.00000 0.58333 0.71264 1.0000 + Li Li501 1.0 0.04167 0.62500 0.71264 1.0000 + Li Li502 1.0 0.08333 0.66667 0.71264 1.0000 + Li Li503 1.0 0.12500 0.70833 0.71264 1.0000 + Li Li504 1.0 0.16667 0.75000 0.71264 1.0000 + Li Li505 1.0 0.75000 0.25000 0.71264 1.0000 + Li Li506 1.0 0.79167 0.29167 0.71264 1.0000 + Li Li507 1.0 0.83333 0.33333 0.71264 1.0000 + Li Li508 1.0 0.87500 0.37500 0.71264 1.0000 + Li Li509 1.0 0.91667 0.41667 0.71264 1.0000 + Li Li510 1.0 0.95833 0.45833 0.71264 1.0000 + Li Li511 1.0 0.00000 0.50000 0.71264 1.0000 + Li Li512 1.0 0.04167 0.54167 0.71264 1.0000 + Li Li513 1.0 0.08333 0.58333 0.71264 1.0000 + Li Li514 1.0 0.12500 0.62500 0.71264 1.0000 + Li Li515 1.0 0.16667 0.66667 0.71264 1.0000 + Li Li516 1.0 0.20833 0.70833 0.71264 1.0000 + Li Li517 1.0 0.79167 0.20833 0.71264 1.0000 + Li Li518 1.0 0.83333 0.25000 0.71264 1.0000 + Li Li519 1.0 0.87500 0.29167 0.71264 1.0000 + Li Li520 1.0 0.91667 0.33333 0.71264 1.0000 + Li Li521 1.0 0.95833 0.37500 0.71264 1.0000 + Li Li522 1.0 0.00000 0.41667 0.71264 1.0000 + Li Li523 1.0 0.04167 0.45833 0.71264 1.0000 + Li Li524 1.0 0.08333 0.50000 0.71264 1.0000 + Li Li525 1.0 0.12500 0.54167 0.71264 1.0000 + Li Li526 1.0 0.16667 0.58333 0.71264 1.0000 + Li Li527 1.0 0.20833 0.62500 0.71264 1.0000 + Li Li528 1.0 0.25000 0.66667 0.71264 1.0000 + Li Li529 1.0 0.83333 0.16667 0.71264 1.0000 + Li Li530 1.0 0.87500 0.20833 0.71264 1.0000 + Li Li531 1.0 0.91667 0.25000 0.71264 1.0000 + Li Li532 1.0 0.95833 0.29167 0.71264 1.0000 + Li Li533 1.0 0.00000 0.33333 0.71264 1.0000 + Li Li534 1.0 0.04167 0.37500 0.71264 1.0000 + Li Li535 1.0 0.08333 0.41667 0.71264 1.0000 + Li Li536 1.0 0.12500 0.45833 0.71264 1.0000 + Li Li537 1.0 0.16667 0.50000 0.71264 1.0000 + Li Li538 1.0 0.20833 0.54167 0.71264 1.0000 + Li Li539 1.0 0.25000 0.58333 0.71264 1.0000 + Li Li540 1.0 0.29167 0.62500 0.71264 1.0000 + Li Li541 1.0 0.87500 0.12500 0.71264 1.0000 + Li Li542 1.0 0.91667 0.16667 0.71264 1.0000 + Li Li543 1.0 0.95833 0.20833 0.71264 1.0000 + Li Li544 1.0 0.00000 0.25000 0.71264 1.0000 + Li Li545 1.0 0.04167 0.29167 0.71264 1.0000 + Li Li546 1.0 0.08333 0.33333 0.71264 1.0000 + Li Li547 1.0 0.12500 0.37500 0.71264 1.0000 + Li Li548 1.0 0.16667 0.41667 0.71264 1.0000 + Li Li549 1.0 0.20833 0.45833 0.71264 1.0000 + Li Li550 1.0 0.25000 0.50000 0.71264 1.0000 + Li Li551 1.0 0.29167 0.54167 0.71264 1.0000 + Li Li552 1.0 0.33333 0.58333 0.71264 1.0000 + Li Li553 1.0 0.91667 0.08333 0.71264 1.0000 + Li Li554 1.0 0.95833 0.12500 0.71264 1.0000 + Li Li555 1.0 0.00000 0.16667 0.71264 1.0000 + Li Li556 1.0 0.04167 0.20833 0.71264 1.0000 + Li Li557 1.0 0.08333 0.25000 0.71264 1.0000 + Li Li558 1.0 0.12500 0.29167 0.71264 1.0000 + Li Li559 1.0 0.16667 0.33333 0.71264 1.0000 + Li Li560 1.0 0.20833 0.37500 0.71264 1.0000 + Li Li561 1.0 0.25000 0.41667 0.71264 1.0000 + Li Li562 1.0 0.29167 0.45833 0.71264 1.0000 + Li Li563 1.0 0.33333 0.50000 0.71264 1.0000 + Li Li564 1.0 0.37500 0.54167 0.71264 1.0000 + Li Li565 1.0 0.95833 0.04167 0.71264 1.0000 + Li Li566 1.0 0.00000 0.08333 0.71264 1.0000 + Li Li567 1.0 0.04167 0.12500 0.71264 1.0000 + Li Li568 1.0 0.08333 0.16667 0.71264 1.0000 + Li Li569 1.0 0.12500 0.20833 0.71264 1.0000 + Li Li570 1.0 0.16667 0.25000 0.71264 1.0000 + Li Li571 1.0 0.20833 0.29167 0.71264 1.0000 + Li Li572 1.0 0.25000 0.33333 0.71264 1.0000 + Li Li573 1.0 0.29167 0.37500 0.71264 1.0000 + Li Li574 1.0 0.33333 0.41667 0.71264 1.0000 + Li Li575 1.0 0.37500 0.45833 0.71264 1.0000 + Li Li576 1.0 0.41667 0.50000 0.71264 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 0.54167 0.50000 0.50000 1.0000 + Mn Mn578 1.0 0.58333 0.54167 0.50000 1.0000 + Mn Mn579 1.0 0.62500 0.58333 0.50000 1.0000 + Mn Mn580 1.0 0.66667 0.62500 0.50000 1.0000 + Mn Mn581 1.0 0.70833 0.66667 0.50000 1.0000 + Mn Mn582 1.0 0.75000 0.70833 0.50000 1.0000 + Mn Mn583 1.0 0.79167 0.75000 0.50000 1.0000 + Mn Mn584 1.0 0.83333 0.79167 0.50000 1.0000 + Mn Mn585 1.0 0.87500 0.83333 0.50000 1.0000 + Mn Mn586 1.0 0.91667 0.87500 0.50000 1.0000 + Mn Mn587 1.0 0.95833 0.91667 0.50000 1.0000 + Mn Mn588 1.0 0.00000 0.95833 0.50000 1.0000 + Mn Mn589 1.0 0.58333 0.45833 0.50000 1.0000 + Mn Mn590 1.0 0.62500 0.50000 0.50000 1.0000 + Mn Mn591 1.0 0.66667 0.54167 0.50000 1.0000 + Mn Mn592 1.0 0.70833 0.58333 0.50000 1.0000 + Mn Mn593 1.0 0.75000 0.62500 0.50000 1.0000 + Mn Mn594 1.0 0.79167 0.66667 0.50000 1.0000 + Mn Mn595 1.0 0.83333 0.70833 0.50000 1.0000 + Mn Mn596 1.0 0.87500 0.75000 0.50000 1.0000 + Mn Mn597 1.0 0.91667 0.79167 0.50000 1.0000 + Mn Mn598 1.0 0.95833 0.83333 0.50000 1.0000 + Mn Mn599 1.0 0.00000 0.87500 0.50000 1.0000 + Mn Mn600 1.0 0.04167 0.91667 0.50000 1.0000 + Mn Mn601 1.0 0.62500 0.41667 0.50000 1.0000 + Mn Mn602 1.0 0.66667 0.45833 0.50000 1.0000 + Mn Mn603 1.0 0.70833 0.50000 0.50000 1.0000 + Mn Mn604 1.0 0.75000 0.54167 0.50000 1.0000 + Mn Mn605 1.0 0.79167 0.58333 0.50000 1.0000 + Mn Mn606 1.0 0.83333 0.62500 0.50000 1.0000 + Mn Mn607 1.0 0.87500 0.66667 0.50000 1.0000 + Mn Mn608 1.0 0.91667 0.70833 0.50000 1.0000 + Mn Mn609 1.0 0.95833 0.75000 0.50000 1.0000 + Mn Mn610 1.0 0.00000 0.79167 0.50000 1.0000 + Mn Mn611 1.0 0.04167 0.83333 0.50000 1.0000 + Mn Mn612 1.0 0.08333 0.87500 0.50000 1.0000 + Mn Mn613 1.0 0.66667 0.37500 0.50000 1.0000 + Mn Mn614 1.0 0.70833 0.41667 0.50000 1.0000 + Mn Mn615 1.0 0.75000 0.45833 0.50000 1.0000 + Mn Mn616 1.0 0.79167 0.50000 0.50000 1.0000 + Mn Mn617 1.0 0.83333 0.54167 0.50000 1.0000 + Mn Mn618 1.0 0.87500 0.58333 0.50000 1.0000 + Mn Mn619 1.0 0.91667 0.62500 0.50000 1.0000 + Mn Mn620 1.0 0.95833 0.66667 0.50000 1.0000 + Mn Mn621 1.0 0.00000 0.70833 0.50000 1.0000 + Mn Mn622 1.0 0.04167 0.75000 0.50000 1.0000 + Mn Mn623 1.0 0.08333 0.79167 0.50000 1.0000 + Mn Mn624 1.0 0.12500 0.83333 0.50000 1.0000 + Mn Mn625 1.0 0.70833 0.33333 0.50000 1.0000 + Mn Mn626 1.0 0.75000 0.37500 0.50000 1.0000 + Mn Mn627 1.0 0.79167 0.41667 0.50000 1.0000 + Mn Mn628 1.0 0.83333 0.45833 0.50000 1.0000 + Mn Mn629 1.0 0.87500 0.50000 0.50000 1.0000 + Mn Mn630 1.0 0.91667 0.54167 0.50000 1.0000 + Mn Mn631 1.0 0.95833 0.58333 0.50000 1.0000 + Mn Mn632 1.0 0.00000 0.62500 0.50000 1.0000 + Mn Mn633 1.0 0.04167 0.66667 0.50000 1.0000 + Mn Mn634 1.0 0.08333 0.70833 0.50000 1.0000 + Mn Mn635 1.0 0.12500 0.75000 0.50000 1.0000 + Mn Mn636 1.0 0.16667 0.79167 0.50000 1.0000 + Mn Mn637 1.0 0.75000 0.29167 0.50000 1.0000 + Mn Mn638 1.0 0.79167 0.33333 0.50000 1.0000 + Mn Mn639 1.0 0.83333 0.37500 0.50000 1.0000 + Mn Mn640 1.0 0.87500 0.41667 0.50000 1.0000 + Mn Mn641 1.0 0.91667 0.45833 0.50000 1.0000 + Mn Mn642 1.0 0.95833 0.50000 0.50000 1.0000 + Mn Mn643 1.0 0.00000 0.54167 0.50000 1.0000 + Mn Mn644 1.0 0.04167 0.58333 0.50000 1.0000 + Mn Mn645 1.0 0.08333 0.62500 0.50000 1.0000 + Mn Mn646 1.0 0.12500 0.66667 0.50000 1.0000 + Mn Mn647 1.0 0.16667 0.70833 0.50000 1.0000 + Mn Mn648 1.0 0.20833 0.75000 0.50000 1.0000 + Mn Mn649 1.0 0.79167 0.25000 0.50000 1.0000 + Mn Mn650 1.0 0.83333 0.29167 0.50000 1.0000 + Mn Mn651 1.0 0.87500 0.33333 0.50000 1.0000 + Mn Mn652 1.0 0.91667 0.37500 0.50000 1.0000 + Mn Mn653 1.0 0.95833 0.41667 0.50000 1.0000 + Mn Mn654 1.0 0.00000 0.45833 0.50000 1.0000 + Mn Mn655 1.0 0.04167 0.50000 0.50000 1.0000 + Mn Mn656 1.0 0.08333 0.54167 0.50000 1.0000 + Mn Mn657 1.0 0.12500 0.58333 0.50000 1.0000 + Mn Mn658 1.0 0.16667 0.62500 0.50000 1.0000 + Mn Mn659 1.0 0.20833 0.66667 0.50000 1.0000 + Mn Mn660 1.0 0.25000 0.70833 0.50000 1.0000 + Mn Mn661 1.0 0.83333 0.20833 0.50000 1.0000 + Mn Mn662 1.0 0.87500 0.25000 0.50000 1.0000 + Mn Mn663 1.0 0.91667 0.29167 0.50000 1.0000 + Mn Mn664 1.0 0.95833 0.33333 0.50000 1.0000 + Mn Mn665 1.0 0.00000 0.37500 0.50000 1.0000 + Mn Mn666 1.0 0.04167 0.41667 0.50000 1.0000 + Mn Mn667 1.0 0.08333 0.45833 0.50000 1.0000 + Mn Mn668 1.0 0.12500 0.50000 0.50000 1.0000 + Mn Mn669 1.0 0.16667 0.54167 0.50000 1.0000 + Mn Mn670 1.0 0.20833 0.58333 0.50000 1.0000 + Mn Mn671 1.0 0.25000 0.62500 0.50000 1.0000 + Mn Mn672 1.0 0.29167 0.66667 0.50000 1.0000 + Mn Mn673 1.0 0.87500 0.16667 0.50000 1.0000 + Mn Mn674 1.0 0.91667 0.20833 0.50000 1.0000 + Mn Mn675 1.0 0.95833 0.25000 0.50000 1.0000 + Mn Mn676 1.0 0.00000 0.29167 0.50000 1.0000 + Mn Mn677 1.0 0.04167 0.33333 0.50000 1.0000 + Mn Mn678 1.0 0.08333 0.37500 0.50000 1.0000 + Mn Mn679 1.0 0.12500 0.41667 0.50000 1.0000 + Mn Mn680 1.0 0.16667 0.45833 0.50000 1.0000 + Mn Mn681 1.0 0.20833 0.50000 0.50000 1.0000 + Mn Mn682 1.0 0.25000 0.54167 0.50000 1.0000 + Mn Mn683 1.0 0.29167 0.58333 0.50000 1.0000 + Mn Mn684 1.0 0.33333 0.62500 0.50000 1.0000 + Mn Mn685 1.0 0.91667 0.12500 0.50000 1.0000 + Mn Mn686 1.0 0.95833 0.16667 0.50000 1.0000 + Mn Mn687 1.0 0.00000 0.20833 0.50000 1.0000 + Mn Mn688 1.0 0.04167 0.25000 0.50000 1.0000 + Mn Mn689 1.0 0.08333 0.29167 0.50000 1.0000 + Mn Mn690 1.0 0.12500 0.33333 0.50000 1.0000 + Mn Mn691 1.0 0.16667 0.37500 0.50000 1.0000 + Mn Mn692 1.0 0.20833 0.41667 0.50000 1.0000 + Mn Mn693 1.0 0.25000 0.45833 0.50000 1.0000 + Mn Mn694 1.0 0.29167 0.50000 0.50000 1.0000 + Mn Mn695 1.0 0.33333 0.54167 0.50000 1.0000 + Mn Mn696 1.0 0.37500 0.58333 0.50000 1.0000 + Mn Mn697 1.0 0.95833 0.08333 0.50000 1.0000 + Mn Mn698 1.0 0.00000 0.12500 0.50000 1.0000 + Mn Mn699 1.0 0.04167 0.16667 0.50000 1.0000 + Mn Mn700 1.0 0.08333 0.20833 0.50000 1.0000 + Mn Mn701 1.0 0.12500 0.25000 0.50000 1.0000 + Mn Mn702 1.0 0.16667 0.29167 0.50000 1.0000 + Mn Mn703 1.0 0.20833 0.33333 0.50000 1.0000 + Mn Mn704 1.0 0.25000 0.37500 0.50000 1.0000 + Mn Mn705 1.0 0.29167 0.41667 0.50000 1.0000 + Mn Mn706 1.0 0.33333 0.45833 0.50000 1.0000 + Mn Mn707 1.0 0.37500 0.50000 0.50000 1.0000 + Mn Mn708 1.0 0.41667 0.54167 0.50000 1.0000 + Mn Mn709 1.0 0.00000 0.04167 0.50000 1.0000 + Mn Mn710 1.0 0.04167 0.08333 0.50000 1.0000 + Mn Mn711 1.0 0.08333 0.12500 0.50000 1.0000 + Mn Mn712 1.0 0.12500 0.16667 0.50000 1.0000 + Mn Mn713 1.0 0.16667 0.20833 0.50000 1.0000 + Mn Mn714 1.0 0.20833 0.25000 0.50000 1.0000 + Mn Mn715 1.0 0.25000 0.29167 0.50000 1.0000 + Mn Mn716 1.0 0.29167 0.33333 0.50000 1.0000 + Mn Mn717 1.0 0.33333 0.37500 0.50000 1.0000 + Mn Mn718 1.0 0.37500 0.41667 0.50000 1.0000 + Mn Mn719 1.0 0.41667 0.45833 0.50000 1.0000 + Mn Mn720 1.0 0.45833 0.50000 0.50000 1.0000 + Mn Mn721 1.0 0.52083 0.52083 0.50000 1.0000 + Mn Mn722 1.0 0.56250 0.56250 0.50000 1.0000 + Mn Mn723 1.0 0.60417 0.60417 0.50000 1.0000 + Mn Mn724 1.0 0.14583 0.14583 0.50000 1.0000 + Mn Mn725 1.0 0.68750 0.68750 0.50000 1.0000 + Mn Mn726 1.0 0.72917 0.72917 0.50000 1.0000 + Mn Mn727 1.0 0.77083 0.77083 0.50000 1.0000 + Mn Mn728 1.0 0.81250 0.81250 0.50000 1.0000 + Mn Mn729 1.0 0.85417 0.85417 0.50000 1.0000 + Mn Mn730 1.0 0.89583 0.89583 0.50000 1.0000 + Mn Mn731 1.0 0.93750 0.93750 0.50000 1.0000 + Mn Mn732 1.0 0.97917 0.97917 0.50000 1.0000 + Mn Mn733 1.0 0.56250 0.47917 0.50000 1.0000 + Mn Mn734 1.0 0.60417 0.52083 0.50000 1.0000 + Mn Mn735 1.0 0.64583 0.56250 0.50000 1.0000 + Mn Mn736 1.0 0.68750 0.60417 0.50000 1.0000 + Mn Mn737 1.0 0.72917 0.64583 0.50000 1.0000 + Mn Mn738 1.0 0.77083 0.68750 0.50000 1.0000 + Mn Mn739 1.0 0.81250 0.72917 0.50000 1.0000 + Mn Mn740 1.0 0.85417 0.77083 0.50000 1.0000 + Mn Mn741 1.0 0.89583 0.81250 0.50000 1.0000 + Mn Mn742 1.0 0.93750 0.85417 0.50000 1.0000 + Mn Mn743 1.0 0.97917 0.89583 0.50000 1.0000 + Mn Mn744 1.0 0.02083 0.93750 0.50000 1.0000 + Mn Mn745 1.0 0.60417 0.43750 0.50000 1.0000 + Mn Mn746 1.0 0.64583 0.47917 0.50000 1.0000 + Mn Mn747 1.0 0.68750 0.52083 0.50000 1.0000 + Mn Mn748 1.0 0.72917 0.56250 0.50000 1.0000 + Mn Mn749 1.0 0.77083 0.60417 0.50000 1.0000 + Mn Mn750 1.0 0.81250 0.64583 0.50000 1.0000 + Mn Mn751 1.0 0.85417 0.68750 0.50000 1.0000 + Mn Mn752 1.0 0.89583 0.72917 0.50000 1.0000 + Mn Mn753 1.0 0.93750 0.77083 0.50000 1.0000 + Mn Mn754 1.0 0.97917 0.81250 0.50000 1.0000 + Mn Mn755 1.0 0.02083 0.85417 0.50000 1.0000 + Mn Mn756 1.0 0.06250 0.89583 0.50000 1.0000 + Mn Mn757 1.0 0.64583 0.39583 0.50000 1.0000 + Mn Mn758 1.0 0.68750 0.43750 0.50000 1.0000 + Mn Mn759 1.0 0.72917 0.47917 0.50000 1.0000 + Mn Mn760 1.0 0.77083 0.52083 0.50000 1.0000 + Mn Mn761 1.0 0.81250 0.56250 0.50000 1.0000 + Mn Mn762 1.0 0.85417 0.60417 0.50000 1.0000 + Mn Mn763 1.0 0.89583 0.64583 0.50000 1.0000 + Mn Mn764 1.0 0.93750 0.68750 0.50000 1.0000 + Mn Mn765 1.0 0.97917 0.72917 0.50000 1.0000 + Mn Mn766 1.0 0.02083 0.77083 0.50000 1.0000 + Mn Mn767 1.0 0.06250 0.81250 0.50000 1.0000 + Mn Mn768 1.0 0.10417 0.85417 0.50000 1.0000 + Mn Mn769 1.0 0.68750 0.35417 0.50000 1.0000 + Mn Mn770 1.0 0.72917 0.39583 0.50000 1.0000 + Mn Mn771 1.0 0.77083 0.43750 0.50000 1.0000 + Mn Mn772 1.0 0.81250 0.47917 0.50000 1.0000 + Mn Mn773 1.0 0.85417 0.52083 0.50000 1.0000 + Mn Mn774 1.0 0.89583 0.56250 0.50000 1.0000 + Mn Mn775 1.0 0.93750 0.60417 0.50000 1.0000 + Mn Mn776 1.0 0.97917 0.64583 0.50000 1.0000 + Mn Mn777 1.0 0.02083 0.68750 0.50000 1.0000 + Mn Mn778 1.0 0.06250 0.72917 0.50000 1.0000 + Mn Mn779 1.0 0.10417 0.77083 0.50000 1.0000 + Mn Mn780 1.0 0.14583 0.81250 0.50000 1.0000 + Mn Mn781 1.0 0.72917 0.31250 0.50000 1.0000 + Mn Mn782 1.0 0.77083 0.35417 0.50000 1.0000 + Mn Mn783 1.0 0.81250 0.39583 0.50000 1.0000 + Mn Mn784 1.0 0.85417 0.43750 0.50000 1.0000 + Mn Mn785 1.0 0.89583 0.47917 0.50000 1.0000 + Mn Mn786 1.0 0.93750 0.52083 0.50000 1.0000 + Mn Mn787 1.0 0.97917 0.56250 0.50000 1.0000 + Mn Mn788 1.0 0.02083 0.60417 0.50000 1.0000 + Mn Mn789 1.0 0.06250 0.64583 0.50000 1.0000 + Mn Mn790 1.0 0.10417 0.68750 0.50000 1.0000 + Mn Mn791 1.0 0.14583 0.72917 0.50000 1.0000 + Mn Mn792 1.0 0.18750 0.77083 0.50000 1.0000 + Mn Mn793 1.0 0.77083 0.27083 0.50000 1.0000 + Mn Mn794 1.0 0.81250 0.31250 0.50000 1.0000 + Mn Mn795 1.0 0.85417 0.35417 0.50000 1.0000 + Mn Mn796 1.0 0.89583 0.39583 0.50000 1.0000 + Mn Mn797 1.0 0.93750 0.43750 0.50000 1.0000 + Mn Mn798 1.0 0.97917 0.47917 0.50000 1.0000 + Mn Mn799 1.0 0.02083 0.52083 0.50000 1.0000 + Mn Mn800 1.0 0.06250 0.56250 0.50000 1.0000 + Mn Mn801 1.0 0.10417 0.60417 0.50000 1.0000 + Mn Mn802 1.0 0.14583 0.64583 0.50000 1.0000 + Mn Mn803 1.0 0.18750 0.68750 0.50000 1.0000 + Mn Mn804 1.0 0.22917 0.72917 0.50000 1.0000 + Mn Mn805 1.0 0.81250 0.22917 0.50000 1.0000 + Mn Mn806 1.0 0.85417 0.27083 0.50000 1.0000 + Mn Mn807 1.0 0.89583 0.31250 0.50000 1.0000 + Mn Mn808 1.0 0.93750 0.35417 0.50000 1.0000 + Mn Mn809 1.0 0.97917 0.39583 0.50000 1.0000 + Mn Mn810 1.0 0.02083 0.43750 0.50000 1.0000 + Mn Mn811 1.0 0.06250 0.47917 0.50000 1.0000 + Mn Mn812 1.0 0.10417 0.52083 0.50000 1.0000 + Mn Mn813 1.0 0.14583 0.56250 0.50000 1.0000 + Mn Mn814 1.0 0.18750 0.60417 0.50000 1.0000 + Mn Mn815 1.0 0.22917 0.64583 0.50000 1.0000 + Mn Mn816 1.0 0.27083 0.68750 0.50000 1.0000 + Mn Mn817 1.0 0.85417 0.18750 0.50000 1.0000 + Mn Mn818 1.0 0.89583 0.22917 0.50000 1.0000 + Mn Mn819 1.0 0.93750 0.27083 0.50000 1.0000 + Mn Mn820 1.0 0.97917 0.31250 0.50000 1.0000 + Mn Mn821 1.0 0.02083 0.35417 0.50000 1.0000 + Mn Mn822 1.0 0.06250 0.39583 0.50000 1.0000 + Mn Mn823 1.0 0.10417 0.43750 0.50000 1.0000 + Mn Mn824 1.0 0.14583 0.47917 0.50000 1.0000 + Mn Mn825 1.0 0.18750 0.52083 0.50000 1.0000 + Mn Mn826 1.0 0.22917 0.56250 0.50000 1.0000 + Mn Mn827 1.0 0.27083 0.60417 0.50000 1.0000 + Mn Mn828 1.0 0.31250 0.64583 0.50000 1.0000 + Mn Mn829 1.0 0.89583 0.14583 0.50000 1.0000 + Mn Mn830 1.0 0.93750 0.18750 0.50000 1.0000 + Mn Mn831 1.0 0.97917 0.22917 0.50000 1.0000 + Mn Mn832 1.0 0.02083 0.27083 0.50000 1.0000 + Mn Mn833 1.0 0.06250 0.31250 0.50000 1.0000 + Mn Mn834 1.0 0.10417 0.35417 0.50000 1.0000 + Mn Mn835 1.0 0.14583 0.39583 0.50000 1.0000 + Mn Mn836 1.0 0.18750 0.43750 0.50000 1.0000 + Mn Mn837 1.0 0.22917 0.47917 0.50000 1.0000 + Mn Mn838 1.0 0.27083 0.52083 0.50000 1.0000 + Mn Mn839 1.0 0.31250 0.56250 0.50000 1.0000 + Mn Mn840 1.0 0.35417 0.60417 0.50000 1.0000 + Mn Mn841 1.0 0.93750 0.10417 0.50000 1.0000 + Mn Mn842 1.0 0.97917 0.14583 0.50000 1.0000 + Mn Mn843 1.0 0.02083 0.18750 0.50000 1.0000 + Mn Mn844 1.0 0.06250 0.22917 0.50000 1.0000 + Mn Mn845 1.0 0.10417 0.27083 0.50000 1.0000 + Mn Mn846 1.0 0.14583 0.31250 0.50000 1.0000 + Mn Mn847 1.0 0.18750 0.35417 0.50000 1.0000 + Mn Mn848 1.0 0.22917 0.39583 0.50000 1.0000 + Mn Mn849 1.0 0.27083 0.43750 0.50000 1.0000 + Mn Mn850 1.0 0.31250 0.47917 0.50000 1.0000 + Mn Mn851 1.0 0.35417 0.52083 0.50000 1.0000 + Mn Mn852 1.0 0.39583 0.56250 0.50000 1.0000 + Mn Mn853 1.0 0.97917 0.06250 0.50000 1.0000 + Mn Mn854 1.0 0.02083 0.10417 0.50000 1.0000 + Mn Mn855 1.0 0.06250 0.14583 0.50000 1.0000 + Mn Mn856 1.0 0.10417 0.18750 0.50000 1.0000 + Mn Mn857 1.0 0.14583 0.22917 0.50000 1.0000 + Mn Mn858 1.0 0.18750 0.27083 0.50000 1.0000 + Mn Mn859 1.0 0.22917 0.31250 0.50000 1.0000 + Mn Mn860 1.0 0.27083 0.35417 0.50000 1.0000 + Mn Mn861 1.0 0.31250 0.39583 0.50000 1.0000 + Mn Mn862 1.0 0.35417 0.43750 0.50000 1.0000 + Mn Mn863 1.0 0.39583 0.47917 0.50000 1.0000 + Mn Mn864 1.0 0.43750 0.52083 0.50000 1.0000 + F F1153 1.0 0.53476 0.47905 0.65539 1.0000 + F F1154 1.0 0.57643 0.52072 0.65539 1.0000 + F F1155 1.0 0.61809 0.56239 0.65539 1.0000 + F F1156 1.0 0.65976 0.60405 0.65539 1.0000 + F F1157 1.0 0.70143 0.64572 0.65539 1.0000 + F F1158 1.0 0.74309 0.68739 0.65539 1.0000 + F F1159 1.0 0.78476 0.72905 0.65539 1.0000 + F F1160 1.0 0.82643 0.77072 0.65539 1.0000 + F F1161 1.0 0.86809 0.81239 0.65539 1.0000 + F F1162 1.0 0.90976 0.85405 0.65539 1.0000 + F F1163 1.0 0.95143 0.89572 0.65539 1.0000 + F F1164 1.0 0.99309 0.93739 0.65539 1.0000 + F F1165 1.0 0.57643 0.43739 0.65539 1.0000 + F F1166 1.0 0.61809 0.47905 0.65539 1.0000 + F F1167 1.0 0.65976 0.52072 0.65539 1.0000 + F F1168 1.0 0.70143 0.56239 0.65539 1.0000 + F F1169 1.0 0.74309 0.60405 0.65539 1.0000 + F F1170 1.0 0.78476 0.64572 0.65539 1.0000 + F F1171 1.0 0.82643 0.68739 0.65539 1.0000 + F F1172 1.0 0.86809 0.72905 0.65539 1.0000 + F F1173 1.0 0.90976 0.77072 0.65539 1.0000 + F F1174 1.0 0.95143 0.81239 0.65539 1.0000 + F F1175 1.0 0.99309 0.85405 0.65539 1.0000 + F F1176 1.0 0.03476 0.89572 0.65539 1.0000 + F F1177 1.0 0.61809 0.39572 0.65539 1.0000 + F F1178 1.0 0.65976 0.43739 0.65539 1.0000 + F F1179 1.0 0.70143 0.47905 0.65539 1.0000 + F F1180 1.0 0.74309 0.52072 0.65539 1.0000 + F F1181 1.0 0.78476 0.56239 0.65539 1.0000 + F F1182 1.0 0.82643 0.60405 0.65539 1.0000 + F F1183 1.0 0.86809 0.64572 0.65539 1.0000 + F F1184 1.0 0.90976 0.68739 0.65539 1.0000 + F F1185 1.0 0.95143 0.72905 0.65539 1.0000 + F F1186 1.0 0.99309 0.77072 0.65539 1.0000 + F F1187 1.0 0.03476 0.81239 0.65539 1.0000 + F F1188 1.0 0.07643 0.85405 0.65539 1.0000 + F F1189 1.0 0.65976 0.35405 0.65539 1.0000 + F F1190 1.0 0.70143 0.39572 0.65539 1.0000 + F F1191 1.0 0.74309 0.43739 0.65539 1.0000 + F F1192 1.0 0.78476 0.47905 0.65539 1.0000 + F F1193 1.0 0.82643 0.52072 0.65539 1.0000 + F F1194 1.0 0.86809 0.56239 0.65539 1.0000 + F F1195 1.0 0.90976 0.60405 0.65539 1.0000 + F F1196 1.0 0.95143 0.64572 0.65539 1.0000 + F F1197 1.0 0.99309 0.68739 0.65539 1.0000 + F F1198 1.0 0.03476 0.72905 0.65539 1.0000 + F F1199 1.0 0.07643 0.77072 0.65539 1.0000 + F F1200 1.0 0.11809 0.81239 0.65539 1.0000 + F F1201 1.0 0.70143 0.31239 0.65539 1.0000 + F F1202 1.0 0.74309 0.35405 0.65539 1.0000 + F F1203 1.0 0.78476 0.39572 0.65539 1.0000 + F F1204 1.0 0.82643 0.43739 0.65539 1.0000 + F F1205 1.0 0.86809 0.47905 0.65539 1.0000 + F F1206 1.0 0.90976 0.52072 0.65539 1.0000 + F F1207 1.0 0.95143 0.56239 0.65539 1.0000 + F F1208 1.0 0.99309 0.60405 0.65539 1.0000 + F F1209 1.0 0.03476 0.64572 0.65539 1.0000 + F F1210 1.0 0.07643 0.68739 0.65539 1.0000 + F F1211 1.0 0.11809 0.72905 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0.31261 0.34461 1.0000 + F F2300 1.0 0.29857 0.35428 0.34461 1.0000 + F F2301 1.0 0.34024 0.39595 0.34461 1.0000 + F F2302 1.0 0.38191 0.43761 0.34461 1.0000 + F F2303 1.0 0.42357 0.47928 0.34461 1.0000 + F F2304 1.0 0.46524 0.52095 0.34461 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5160_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5160_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..59c2bca60ed0a5f0d4829cf47da38d6182bc7bbe --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5160_supercell_12x12x1.cif @@ -0,0 +1,1753 @@ +data_image0 +_chemical_formula_structural Sb576O1152 +_chemical_formula_sum "Sb576 O1152" +_cell_length_a 38.4312 +_cell_length_b 127.653 +_cell_length_c 6.87638 +_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 + 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Sb Sb65 1.0 0.45833 0.41022 0.68309 1.0000 + Sb Sb66 1.0 0.45833 0.49355 0.68309 1.0000 + Sb Sb67 1.0 0.45833 0.57689 0.68309 1.0000 + Sb Sb68 1.0 0.45833 0.66022 0.68309 1.0000 + Sb Sb69 1.0 0.45833 0.74355 0.68309 1.0000 + Sb Sb70 1.0 0.45833 0.82689 0.68309 1.0000 + Sb Sb71 1.0 0.45833 0.91022 0.68309 1.0000 + Sb Sb72 1.0 0.45833 0.99355 0.68309 1.0000 + Sb Sb73 1.0 0.54167 0.07689 0.68309 1.0000 + Sb Sb74 1.0 0.54167 0.16022 0.68309 1.0000 + Sb Sb75 1.0 0.54167 0.24355 0.68309 1.0000 + Sb Sb76 1.0 0.54167 0.32689 0.68309 1.0000 + Sb Sb77 1.0 0.54167 0.41022 0.68309 1.0000 + Sb Sb78 1.0 0.54167 0.49355 0.68309 1.0000 + Sb Sb79 1.0 0.54167 0.57689 0.68309 1.0000 + Sb Sb80 1.0 0.54167 0.66022 0.68309 1.0000 + Sb Sb81 1.0 0.54167 0.74355 0.68309 1.0000 + Sb Sb82 1.0 0.54167 0.82689 0.68309 1.0000 + Sb Sb83 1.0 0.54167 0.91022 0.68309 1.0000 + Sb Sb84 1.0 0.54167 0.99355 0.68309 1.0000 + Sb Sb85 1.0 0.62500 0.07689 0.68309 1.0000 + Sb Sb86 1.0 0.62500 0.16022 0.68309 1.0000 + Sb Sb87 1.0 0.62500 0.24355 0.68309 1.0000 + Sb Sb88 1.0 0.62500 0.32689 0.68309 1.0000 + Sb Sb89 1.0 0.62500 0.41022 0.68309 1.0000 + Sb Sb90 1.0 0.62500 0.49355 0.68309 1.0000 + Sb Sb91 1.0 0.62500 0.57689 0.68309 1.0000 + Sb Sb92 1.0 0.62500 0.66022 0.68309 1.0000 + Sb Sb93 1.0 0.62500 0.74355 0.68309 1.0000 + Sb Sb94 1.0 0.62500 0.82689 0.68309 1.0000 + Sb Sb95 1.0 0.62500 0.91022 0.68309 1.0000 + Sb Sb96 1.0 0.62500 0.99355 0.68309 1.0000 + Sb Sb97 1.0 0.70833 0.07689 0.68309 1.0000 + Sb Sb98 1.0 0.70833 0.16022 0.68309 1.0000 + Sb Sb99 1.0 0.70833 0.24355 0.68309 1.0000 + Sb Sb100 1.0 0.70833 0.32689 0.68309 1.0000 + Sb Sb101 1.0 0.70833 0.41022 0.68309 1.0000 + Sb Sb102 1.0 0.70833 0.49355 0.68309 1.0000 + Sb Sb103 1.0 0.70833 0.57689 0.68309 1.0000 + Sb Sb104 1.0 0.70833 0.66022 0.68309 1.0000 + Sb Sb105 1.0 0.70833 0.74355 0.68309 1.0000 + Sb Sb106 1.0 0.70833 0.82689 0.68309 1.0000 + Sb Sb107 1.0 0.70833 0.91022 0.68309 1.0000 + Sb Sb108 1.0 0.70833 0.99355 0.68309 1.0000 + Sb Sb109 1.0 0.79167 0.07689 0.68309 1.0000 + Sb Sb110 1.0 0.79167 0.16022 0.68309 1.0000 + Sb Sb111 1.0 0.79167 0.24355 0.68309 1.0000 + Sb Sb112 1.0 0.79167 0.32689 0.68309 1.0000 + Sb Sb113 1.0 0.79167 0.41022 0.68309 1.0000 + Sb Sb114 1.0 0.79167 0.49355 0.68309 1.0000 + Sb Sb115 1.0 0.79167 0.57689 0.68309 1.0000 + Sb Sb116 1.0 0.79167 0.66022 0.68309 1.0000 + Sb Sb117 1.0 0.79167 0.74355 0.68309 1.0000 + Sb Sb118 1.0 0.79167 0.82689 0.68309 1.0000 + Sb Sb119 1.0 0.79167 0.91022 0.68309 1.0000 + Sb Sb120 1.0 0.79167 0.99355 0.68309 1.0000 + Sb Sb121 1.0 0.87500 0.07689 0.68309 1.0000 + Sb Sb122 1.0 0.87500 0.16022 0.68309 1.0000 + Sb Sb123 1.0 0.87500 0.24355 0.68309 1.0000 + Sb Sb124 1.0 0.87500 0.32689 0.68309 1.0000 + Sb Sb125 1.0 0.87500 0.41022 0.68309 1.0000 + Sb Sb126 1.0 0.87500 0.49355 0.68309 1.0000 + Sb Sb127 1.0 0.87500 0.57689 0.68309 1.0000 + Sb Sb128 1.0 0.87500 0.66022 0.68309 1.0000 + Sb Sb129 1.0 0.87500 0.74355 0.68309 1.0000 + Sb Sb130 1.0 0.87500 0.82689 0.68309 1.0000 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0.31704 1.0000 + Sb Sb153 1.0 0.00000 0.67255 0.31704 1.0000 + Sb Sb154 1.0 0.00000 0.75588 0.31704 1.0000 + Sb Sb155 1.0 0.00000 0.83922 0.31704 1.0000 + Sb Sb156 1.0 0.00000 0.92255 0.31704 1.0000 + Sb Sb157 1.0 0.08333 0.00588 0.31704 1.0000 + Sb Sb158 1.0 0.08333 0.08922 0.31704 1.0000 + Sb Sb159 1.0 0.08333 0.17255 0.31704 1.0000 + Sb Sb160 1.0 0.08333 0.25588 0.31704 1.0000 + Sb Sb161 1.0 0.08333 0.33922 0.31704 1.0000 + Sb Sb162 1.0 0.08333 0.42255 0.31704 1.0000 + Sb Sb163 1.0 0.08333 0.50588 0.31704 1.0000 + Sb Sb164 1.0 0.08333 0.58922 0.31704 1.0000 + Sb Sb165 1.0 0.08333 0.67255 0.31704 1.0000 + Sb Sb166 1.0 0.08333 0.75588 0.31704 1.0000 + Sb Sb167 1.0 0.08333 0.83922 0.31704 1.0000 + Sb Sb168 1.0 0.08333 0.92255 0.31704 1.0000 + Sb Sb169 1.0 0.16667 0.00588 0.31704 1.0000 + Sb Sb170 1.0 0.16667 0.08922 0.31704 1.0000 + Sb Sb171 1.0 0.16667 0.17255 0.31704 1.0000 + Sb Sb172 1.0 0.16667 0.25588 0.31704 1.0000 + Sb Sb173 1.0 0.16667 0.33922 0.31704 1.0000 + Sb Sb174 1.0 0.16667 0.42255 0.31704 1.0000 + Sb Sb175 1.0 0.16667 0.50588 0.31704 1.0000 + Sb Sb176 1.0 0.16667 0.58922 0.31704 1.0000 + Sb Sb177 1.0 0.16667 0.67255 0.31704 1.0000 + Sb Sb178 1.0 0.16667 0.75588 0.31704 1.0000 + Sb Sb179 1.0 0.16667 0.83922 0.31704 1.0000 + Sb Sb180 1.0 0.16667 0.92255 0.31704 1.0000 + Sb Sb181 1.0 0.25000 0.00588 0.31704 1.0000 + Sb Sb182 1.0 0.25000 0.08922 0.31704 1.0000 + Sb Sb183 1.0 0.25000 0.17255 0.31704 1.0000 + Sb Sb184 1.0 0.25000 0.25588 0.31704 1.0000 + Sb Sb185 1.0 0.25000 0.33922 0.31704 1.0000 + Sb Sb186 1.0 0.25000 0.42255 0.31704 1.0000 + Sb Sb187 1.0 0.25000 0.50588 0.31704 1.0000 + Sb Sb188 1.0 0.25000 0.58922 0.31704 1.0000 + Sb Sb189 1.0 0.25000 0.67255 0.31704 1.0000 + Sb Sb190 1.0 0.25000 0.75588 0.31704 1.0000 + Sb Sb191 1.0 0.25000 0.83922 0.31704 1.0000 + Sb Sb192 1.0 0.25000 0.92255 0.31704 1.0000 + Sb Sb193 1.0 0.33333 0.00588 0.31704 1.0000 + Sb Sb194 1.0 0.33333 0.08922 0.31704 1.0000 + Sb Sb195 1.0 0.33333 0.17255 0.31704 1.0000 + Sb Sb196 1.0 0.33333 0.25588 0.31704 1.0000 + Sb Sb197 1.0 0.33333 0.33922 0.31704 1.0000 + Sb Sb198 1.0 0.33333 0.42255 0.31704 1.0000 + Sb Sb199 1.0 0.33333 0.50588 0.31704 1.0000 + Sb Sb200 1.0 0.33333 0.58922 0.31704 1.0000 + Sb Sb201 1.0 0.33333 0.67255 0.31704 1.0000 + Sb Sb202 1.0 0.33333 0.75588 0.31704 1.0000 + Sb Sb203 1.0 0.33333 0.83922 0.31704 1.0000 + Sb Sb204 1.0 0.33333 0.92255 0.31704 1.0000 + Sb Sb205 1.0 0.41667 0.00588 0.31704 1.0000 + Sb Sb206 1.0 0.41667 0.08922 0.31704 1.0000 + Sb Sb207 1.0 0.41667 0.17255 0.31704 1.0000 + Sb Sb208 1.0 0.41667 0.25588 0.31704 1.0000 + Sb Sb209 1.0 0.41667 0.33922 0.31704 1.0000 + Sb Sb210 1.0 0.41667 0.42255 0.31704 1.0000 + Sb Sb211 1.0 0.41667 0.50588 0.31704 1.0000 + Sb Sb212 1.0 0.41667 0.58922 0.31704 1.0000 + Sb Sb213 1.0 0.41667 0.67255 0.31704 1.0000 + Sb Sb214 1.0 0.41667 0.75588 0.31704 1.0000 + Sb Sb215 1.0 0.41667 0.83922 0.31704 1.0000 + Sb Sb216 1.0 0.41667 0.92255 0.31704 1.0000 + Sb Sb217 1.0 0.50000 0.00588 0.31704 1.0000 + Sb Sb218 1.0 0.50000 0.08922 0.31704 1.0000 + Sb Sb219 1.0 0.50000 0.17255 0.31704 1.0000 + Sb Sb220 1.0 0.50000 0.25588 0.31704 1.0000 + Sb Sb221 1.0 0.50000 0.33922 0.31704 1.0000 + Sb Sb222 1.0 0.50000 0.42255 0.31704 1.0000 + Sb Sb223 1.0 0.50000 0.50588 0.31704 1.0000 + Sb Sb224 1.0 0.50000 0.58922 0.31704 1.0000 + Sb Sb225 1.0 0.50000 0.67255 0.31704 1.0000 + Sb Sb226 1.0 0.50000 0.75588 0.31704 1.0000 + Sb Sb227 1.0 0.50000 0.83922 0.31704 1.0000 + Sb Sb228 1.0 0.50000 0.92255 0.31704 1.0000 + Sb Sb229 1.0 0.58333 0.00588 0.31704 1.0000 + Sb Sb230 1.0 0.58333 0.08922 0.31704 1.0000 + Sb Sb231 1.0 0.58333 0.17255 0.31704 1.0000 + Sb Sb232 1.0 0.58333 0.25588 0.31704 1.0000 + Sb Sb233 1.0 0.58333 0.33922 0.31704 1.0000 + Sb Sb234 1.0 0.58333 0.42255 0.31704 1.0000 + Sb Sb235 1.0 0.58333 0.50588 0.31704 1.0000 + Sb Sb236 1.0 0.58333 0.58922 0.31704 1.0000 + Sb Sb237 1.0 0.58333 0.67255 0.31704 1.0000 + Sb Sb238 1.0 0.58333 0.75588 0.31704 1.0000 + Sb Sb239 1.0 0.58333 0.83922 0.31704 1.0000 + Sb Sb240 1.0 0.58333 0.92255 0.31704 1.0000 + Sb Sb241 1.0 0.66667 0.00588 0.31704 1.0000 + Sb Sb242 1.0 0.66667 0.08922 0.31704 1.0000 + Sb Sb243 1.0 0.66667 0.17255 0.31704 1.0000 + Sb Sb244 1.0 0.66667 0.25588 0.31704 1.0000 + Sb Sb245 1.0 0.66667 0.33922 0.31704 1.0000 + Sb Sb246 1.0 0.66667 0.42255 0.31704 1.0000 + Sb Sb247 1.0 0.66667 0.50588 0.31704 1.0000 + Sb Sb248 1.0 0.66667 0.58922 0.31704 1.0000 + Sb Sb249 1.0 0.66667 0.67255 0.31704 1.0000 + Sb Sb250 1.0 0.66667 0.75588 0.31704 1.0000 + Sb Sb251 1.0 0.66667 0.83922 0.31704 1.0000 + Sb Sb252 1.0 0.66667 0.92255 0.31704 1.0000 + Sb Sb253 1.0 0.75000 0.00588 0.31704 1.0000 + Sb Sb254 1.0 0.75000 0.08922 0.31704 1.0000 + Sb Sb255 1.0 0.75000 0.17255 0.31704 1.0000 + Sb Sb256 1.0 0.75000 0.25588 0.31704 1.0000 + Sb Sb257 1.0 0.75000 0.33922 0.31704 1.0000 + Sb Sb258 1.0 0.75000 0.42255 0.31704 1.0000 + Sb Sb259 1.0 0.75000 0.50588 0.31704 1.0000 + Sb Sb260 1.0 0.75000 0.58922 0.31704 1.0000 + Sb Sb261 1.0 0.75000 0.67255 0.31704 1.0000 + Sb Sb262 1.0 0.75000 0.75588 0.31704 1.0000 + Sb Sb263 1.0 0.75000 0.83922 0.31704 1.0000 + Sb Sb264 1.0 0.75000 0.92255 0.31704 1.0000 + Sb Sb265 1.0 0.83333 0.00588 0.31704 1.0000 + Sb Sb266 1.0 0.83333 0.08922 0.31704 1.0000 + Sb Sb267 1.0 0.83333 0.17255 0.31704 1.0000 + Sb Sb268 1.0 0.83333 0.25588 0.31704 1.0000 + Sb Sb269 1.0 0.83333 0.33922 0.31704 1.0000 + Sb Sb270 1.0 0.83333 0.42255 0.31704 1.0000 + Sb Sb271 1.0 0.83333 0.50588 0.31704 1.0000 + Sb Sb272 1.0 0.83333 0.58922 0.31704 1.0000 + Sb Sb273 1.0 0.83333 0.67255 0.31704 1.0000 + Sb Sb274 1.0 0.83333 0.75588 0.31704 1.0000 + Sb Sb275 1.0 0.83333 0.83922 0.31704 1.0000 + Sb Sb276 1.0 0.83333 0.92255 0.31704 1.0000 + Sb Sb277 1.0 0.91667 0.00588 0.31704 1.0000 + Sb Sb278 1.0 0.91667 0.08922 0.31704 1.0000 + Sb Sb279 1.0 0.91667 0.17255 0.31704 1.0000 + Sb Sb280 1.0 0.91667 0.25588 0.31704 1.0000 + Sb Sb281 1.0 0.91667 0.33922 0.31704 1.0000 + Sb Sb282 1.0 0.91667 0.42255 0.31704 1.0000 + Sb Sb283 1.0 0.91667 0.50588 0.31704 1.0000 + Sb Sb284 1.0 0.91667 0.58922 0.31704 1.0000 + Sb Sb285 1.0 0.91667 0.67255 0.31704 1.0000 + Sb Sb286 1.0 0.91667 0.75588 0.31704 1.0000 + Sb Sb287 1.0 0.91667 0.83922 0.31704 1.0000 + Sb Sb288 1.0 0.91667 0.92255 0.31704 1.0000 + Sb Sb289 1.0 0.00000 0.05245 0.45292 1.0000 + Sb Sb290 1.0 0.00000 0.13578 0.45292 1.0000 + Sb Sb291 1.0 0.00000 0.21912 0.45292 1.0000 + Sb Sb292 1.0 0.00000 0.30245 0.45292 1.0000 + Sb Sb293 1.0 0.00000 0.38578 0.45292 1.0000 + Sb Sb294 1.0 0.00000 0.46912 0.45292 1.0000 + Sb Sb295 1.0 0.00000 0.55245 0.45292 1.0000 + Sb Sb296 1.0 0.00000 0.63578 0.45292 1.0000 + Sb Sb297 1.0 0.00000 0.71912 0.45292 1.0000 + Sb Sb298 1.0 0.00000 0.80245 0.45292 1.0000 + Sb Sb299 1.0 0.00000 0.88578 0.45292 1.0000 + Sb Sb300 1.0 0.00000 0.96912 0.45292 1.0000 + Sb Sb301 1.0 0.08333 0.05245 0.45292 1.0000 + Sb Sb302 1.0 0.08333 0.13578 0.45292 1.0000 + Sb Sb303 1.0 0.08333 0.21912 0.45292 1.0000 + Sb Sb304 1.0 0.08333 0.30245 0.45292 1.0000 + Sb Sb305 1.0 0.08333 0.38578 0.45292 1.0000 + Sb Sb306 1.0 0.08333 0.46912 0.45292 1.0000 + Sb Sb307 1.0 0.08333 0.55245 0.45292 1.0000 + Sb Sb308 1.0 0.08333 0.63578 0.45292 1.0000 + Sb Sb309 1.0 0.08333 0.71912 0.45292 1.0000 + Sb Sb310 1.0 0.08333 0.80245 0.45292 1.0000 + Sb Sb311 1.0 0.08333 0.88578 0.45292 1.0000 + Sb Sb312 1.0 0.08333 0.96912 0.45292 1.0000 + Sb Sb313 1.0 0.16667 0.05245 0.45292 1.0000 + Sb Sb314 1.0 0.16667 0.13578 0.45292 1.0000 + Sb Sb315 1.0 0.16667 0.21912 0.45292 1.0000 + Sb Sb316 1.0 0.16667 0.30245 0.45292 1.0000 + Sb Sb317 1.0 0.16667 0.38578 0.45292 1.0000 + Sb Sb318 1.0 0.16667 0.46912 0.45292 1.0000 + Sb Sb319 1.0 0.16667 0.55245 0.45292 1.0000 + Sb Sb320 1.0 0.16667 0.63578 0.45292 1.0000 + Sb Sb321 1.0 0.16667 0.71912 0.45292 1.0000 + Sb Sb322 1.0 0.16667 0.80245 0.45292 1.0000 + Sb Sb323 1.0 0.16667 0.88578 0.45292 1.0000 + Sb Sb324 1.0 0.16667 0.96912 0.45292 1.0000 + Sb Sb325 1.0 0.25000 0.05245 0.45292 1.0000 + Sb Sb326 1.0 0.25000 0.13578 0.45292 1.0000 + Sb Sb327 1.0 0.25000 0.21912 0.45292 1.0000 + Sb Sb328 1.0 0.25000 0.30245 0.45292 1.0000 + Sb Sb329 1.0 0.25000 0.38578 0.45292 1.0000 + Sb Sb330 1.0 0.25000 0.46912 0.45292 1.0000 + Sb Sb331 1.0 0.25000 0.55245 0.45292 1.0000 + Sb Sb332 1.0 0.25000 0.63578 0.45292 1.0000 + Sb Sb333 1.0 0.25000 0.71912 0.45292 1.0000 + Sb Sb334 1.0 0.25000 0.80245 0.45292 1.0000 + Sb Sb335 1.0 0.25000 0.88578 0.45292 1.0000 + Sb Sb336 1.0 0.25000 0.96912 0.45292 1.0000 + Sb Sb337 1.0 0.33333 0.05245 0.45292 1.0000 + Sb Sb338 1.0 0.33333 0.13578 0.45292 1.0000 + Sb Sb339 1.0 0.33333 0.21912 0.45292 1.0000 + Sb Sb340 1.0 0.33333 0.30245 0.45292 1.0000 + Sb Sb341 1.0 0.33333 0.38578 0.45292 1.0000 + Sb Sb342 1.0 0.33333 0.46912 0.45292 1.0000 + Sb Sb343 1.0 0.33333 0.55245 0.45292 1.0000 + Sb Sb344 1.0 0.33333 0.63578 0.45292 1.0000 + Sb Sb345 1.0 0.33333 0.71912 0.45292 1.0000 + Sb Sb346 1.0 0.33333 0.80245 0.45292 1.0000 + Sb Sb347 1.0 0.33333 0.88578 0.45292 1.0000 + Sb Sb348 1.0 0.33333 0.96912 0.45292 1.0000 + Sb Sb349 1.0 0.41667 0.05245 0.45292 1.0000 + Sb Sb350 1.0 0.41667 0.13578 0.45292 1.0000 + Sb Sb351 1.0 0.41667 0.21912 0.45292 1.0000 + Sb Sb352 1.0 0.41667 0.30245 0.45292 1.0000 + Sb Sb353 1.0 0.41667 0.38578 0.45292 1.0000 + Sb Sb354 1.0 0.41667 0.46912 0.45292 1.0000 + Sb Sb355 1.0 0.41667 0.55245 0.45292 1.0000 + Sb Sb356 1.0 0.41667 0.63578 0.45292 1.0000 + Sb Sb357 1.0 0.41667 0.71912 0.45292 1.0000 + Sb Sb358 1.0 0.41667 0.80245 0.45292 1.0000 + Sb Sb359 1.0 0.41667 0.88578 0.45292 1.0000 + Sb Sb360 1.0 0.41667 0.96912 0.45292 1.0000 + Sb Sb361 1.0 0.50000 0.05245 0.45292 1.0000 + Sb Sb362 1.0 0.50000 0.13578 0.45292 1.0000 + Sb Sb363 1.0 0.50000 0.21912 0.45292 1.0000 + Sb Sb364 1.0 0.50000 0.30245 0.45292 1.0000 + Sb Sb365 1.0 0.50000 0.38578 0.45292 1.0000 + Sb Sb366 1.0 0.50000 0.46912 0.45292 1.0000 + Sb Sb367 1.0 0.50000 0.55245 0.45292 1.0000 + Sb Sb368 1.0 0.50000 0.63578 0.45292 1.0000 + Sb Sb369 1.0 0.50000 0.71912 0.45292 1.0000 + Sb Sb370 1.0 0.50000 0.80245 0.45292 1.0000 + Sb Sb371 1.0 0.50000 0.88578 0.45292 1.0000 + Sb Sb372 1.0 0.50000 0.96912 0.45292 1.0000 + Sb Sb373 1.0 0.58333 0.05245 0.45292 1.0000 + Sb Sb374 1.0 0.58333 0.13578 0.45292 1.0000 + Sb Sb375 1.0 0.58333 0.21912 0.45292 1.0000 + Sb Sb376 1.0 0.58333 0.30245 0.45292 1.0000 + Sb Sb377 1.0 0.58333 0.38578 0.45292 1.0000 + Sb Sb378 1.0 0.58333 0.46912 0.45292 1.0000 + Sb Sb379 1.0 0.58333 0.55245 0.45292 1.0000 + Sb Sb380 1.0 0.58333 0.63578 0.45292 1.0000 + Sb Sb381 1.0 0.58333 0.71912 0.45292 1.0000 + Sb Sb382 1.0 0.58333 0.80245 0.45292 1.0000 + Sb Sb383 1.0 0.58333 0.88578 0.45292 1.0000 + Sb Sb384 1.0 0.58333 0.96912 0.45292 1.0000 + Sb Sb385 1.0 0.66667 0.05245 0.45292 1.0000 + Sb Sb386 1.0 0.66667 0.13578 0.45292 1.0000 + Sb Sb387 1.0 0.66667 0.21912 0.45292 1.0000 + Sb Sb388 1.0 0.66667 0.30245 0.45292 1.0000 + Sb Sb389 1.0 0.66667 0.38578 0.45292 1.0000 + Sb Sb390 1.0 0.66667 0.46912 0.45292 1.0000 + Sb Sb391 1.0 0.66667 0.55245 0.45292 1.0000 + Sb Sb392 1.0 0.66667 0.63578 0.45292 1.0000 + Sb Sb393 1.0 0.66667 0.71912 0.45292 1.0000 + Sb Sb394 1.0 0.66667 0.80245 0.45292 1.0000 + Sb Sb395 1.0 0.66667 0.88578 0.45292 1.0000 + Sb Sb396 1.0 0.66667 0.96912 0.45292 1.0000 + Sb Sb397 1.0 0.75000 0.05245 0.45292 1.0000 + Sb Sb398 1.0 0.75000 0.13578 0.45292 1.0000 + Sb Sb399 1.0 0.75000 0.21912 0.45292 1.0000 + Sb Sb400 1.0 0.75000 0.30245 0.45292 1.0000 + Sb Sb401 1.0 0.75000 0.38578 0.45292 1.0000 + Sb Sb402 1.0 0.75000 0.46912 0.45292 1.0000 + Sb Sb403 1.0 0.75000 0.55245 0.45292 1.0000 + Sb Sb404 1.0 0.75000 0.63578 0.45292 1.0000 + Sb Sb405 1.0 0.75000 0.71912 0.45292 1.0000 + Sb Sb406 1.0 0.75000 0.80245 0.45292 1.0000 + Sb Sb407 1.0 0.75000 0.88578 0.45292 1.0000 + Sb Sb408 1.0 0.75000 0.96912 0.45292 1.0000 + Sb Sb409 1.0 0.83333 0.05245 0.45292 1.0000 + Sb Sb410 1.0 0.83333 0.13578 0.45292 1.0000 + Sb Sb411 1.0 0.83333 0.21912 0.45292 1.0000 + Sb Sb412 1.0 0.83333 0.30245 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Sb Sb456 1.0 0.12500 0.94700 0.54699 1.0000 + Sb Sb457 1.0 0.20833 0.03033 0.54699 1.0000 + Sb Sb458 1.0 0.20833 0.11366 0.54699 1.0000 + Sb Sb459 1.0 0.20833 0.19700 0.54699 1.0000 + Sb Sb460 1.0 0.20833 0.28033 0.54699 1.0000 + Sb Sb461 1.0 0.20833 0.36366 0.54699 1.0000 + Sb Sb462 1.0 0.20833 0.44700 0.54699 1.0000 + Sb Sb463 1.0 0.20833 0.53033 0.54699 1.0000 + Sb Sb464 1.0 0.20833 0.61366 0.54699 1.0000 + Sb Sb465 1.0 0.20833 0.69700 0.54699 1.0000 + Sb Sb466 1.0 0.20833 0.78033 0.54699 1.0000 + Sb Sb467 1.0 0.20833 0.86366 0.54699 1.0000 + Sb Sb468 1.0 0.20833 0.94700 0.54699 1.0000 + Sb Sb469 1.0 0.29167 0.03033 0.54699 1.0000 + Sb Sb470 1.0 0.29167 0.11366 0.54699 1.0000 + Sb Sb471 1.0 0.29167 0.19700 0.54699 1.0000 + Sb Sb472 1.0 0.29167 0.28033 0.54699 1.0000 + Sb Sb473 1.0 0.29167 0.36366 0.54699 1.0000 + Sb Sb474 1.0 0.29167 0.44700 0.54699 1.0000 + Sb Sb475 1.0 0.29167 0.53033 0.54699 1.0000 + Sb Sb476 1.0 0.29167 0.61366 0.54699 1.0000 + Sb Sb477 1.0 0.29167 0.69700 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Sb Sb521 1.0 0.62500 0.36366 0.54699 1.0000 + Sb Sb522 1.0 0.62500 0.44700 0.54699 1.0000 + Sb Sb523 1.0 0.62500 0.53033 0.54699 1.0000 + Sb Sb524 1.0 0.62500 0.61366 0.54699 1.0000 + Sb Sb525 1.0 0.62500 0.69700 0.54699 1.0000 + Sb Sb526 1.0 0.62500 0.78033 0.54699 1.0000 + Sb Sb527 1.0 0.62500 0.86366 0.54699 1.0000 + Sb Sb528 1.0 0.62500 0.94700 0.54699 1.0000 + Sb Sb529 1.0 0.70833 0.03033 0.54699 1.0000 + Sb Sb530 1.0 0.70833 0.11366 0.54699 1.0000 + Sb Sb531 1.0 0.70833 0.19700 0.54699 1.0000 + Sb Sb532 1.0 0.70833 0.28033 0.54699 1.0000 + Sb Sb533 1.0 0.70833 0.36366 0.54699 1.0000 + Sb Sb534 1.0 0.70833 0.44700 0.54699 1.0000 + Sb Sb535 1.0 0.70833 0.53033 0.54699 1.0000 + Sb Sb536 1.0 0.70833 0.61366 0.54699 1.0000 + Sb Sb537 1.0 0.70833 0.69700 0.54699 1.0000 + Sb Sb538 1.0 0.70833 0.78033 0.54699 1.0000 + Sb Sb539 1.0 0.70833 0.86366 0.54699 1.0000 + Sb Sb540 1.0 0.70833 0.94700 0.54699 1.0000 + Sb Sb541 1.0 0.79167 0.03033 0.54699 1.0000 + Sb Sb542 1.0 0.79167 0.11366 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1.0000 + O O11 1.0 0.04167 0.87931 0.62774 1.0000 + O O12 1.0 0.04167 0.96265 0.62774 1.0000 + O O13 1.0 0.12500 0.04598 0.62774 1.0000 + O O14 1.0 0.12500 0.12931 0.62774 1.0000 + O O15 1.0 0.12500 0.21265 0.62774 1.0000 + O O16 1.0 0.12500 0.29598 0.62774 1.0000 + O O17 1.0 0.12500 0.37931 0.62774 1.0000 + O O18 1.0 0.12500 0.46265 0.62774 1.0000 + O O19 1.0 0.12500 0.54598 0.62774 1.0000 + O O20 1.0 0.12500 0.62931 0.62774 1.0000 + O O21 1.0 0.12500 0.71265 0.62774 1.0000 + O O22 1.0 0.12500 0.79598 0.62774 1.0000 + O O23 1.0 0.12500 0.87931 0.62774 1.0000 + O O24 1.0 0.12500 0.96265 0.62774 1.0000 + O O25 1.0 0.20833 0.04598 0.62774 1.0000 + O O26 1.0 0.20833 0.12931 0.62774 1.0000 + O O27 1.0 0.20833 0.21265 0.62774 1.0000 + O O28 1.0 0.20833 0.29598 0.62774 1.0000 + O O29 1.0 0.20833 0.37931 0.62774 1.0000 + O O30 1.0 0.20833 0.46265 0.62774 1.0000 + O O31 1.0 0.20833 0.54598 0.62774 1.0000 + O O32 1.0 0.20833 0.62931 0.62774 1.0000 + O O33 1.0 0.20833 0.71265 0.62774 1.0000 + O O34 1.0 0.20833 0.79598 0.62774 1.0000 + O O35 1.0 0.20833 0.87931 0.62774 1.0000 + O O36 1.0 0.20833 0.96265 0.62774 1.0000 + O O37 1.0 0.29167 0.04598 0.62774 1.0000 + O O38 1.0 0.29167 0.12931 0.62774 1.0000 + O O39 1.0 0.29167 0.21265 0.62774 1.0000 + O O40 1.0 0.29167 0.29598 0.62774 1.0000 + O O41 1.0 0.29167 0.37931 0.62774 1.0000 + O O42 1.0 0.29167 0.46265 0.62774 1.0000 + O O43 1.0 0.29167 0.54598 0.62774 1.0000 + O O44 1.0 0.29167 0.62931 0.62774 1.0000 + O O45 1.0 0.29167 0.71265 0.62774 1.0000 + O O46 1.0 0.29167 0.79598 0.62774 1.0000 + O O47 1.0 0.29167 0.87931 0.62774 1.0000 + O O48 1.0 0.29167 0.96265 0.62774 1.0000 + O O49 1.0 0.37500 0.04598 0.62774 1.0000 + O O50 1.0 0.37500 0.12931 0.62774 1.0000 + O O51 1.0 0.37500 0.21265 0.62774 1.0000 + O O52 1.0 0.37500 0.29598 0.62774 1.0000 + O O53 1.0 0.37500 0.37931 0.62774 1.0000 + O O54 1.0 0.37500 0.46265 0.62774 1.0000 + O O55 1.0 0.37500 0.54598 0.62774 1.0000 + O O56 1.0 0.37500 0.62931 0.62774 1.0000 + O O57 1.0 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1.0 0.55214 0.09205 0.66565 1.0000 + O O938 1.0 0.52089 0.12330 0.66565 1.0000 + O O939 1.0 0.48964 0.15455 0.66565 1.0000 + O O940 1.0 0.45839 0.18580 0.66565 1.0000 + O O941 1.0 0.42714 0.21705 0.66565 1.0000 + O O942 1.0 0.39589 0.24830 0.66565 1.0000 + O O943 1.0 0.36464 0.27955 0.66565 1.0000 + O O944 1.0 0.33339 0.31080 0.66565 1.0000 + O O945 1.0 0.83339 0.87330 0.66565 1.0000 + O O946 1.0 0.80214 0.90455 0.66565 1.0000 + O O947 1.0 0.77089 0.93580 0.66565 1.0000 + O O948 1.0 0.73964 0.96705 0.66565 1.0000 + O O949 1.0 0.70839 0.99830 0.66565 1.0000 + O O950 1.0 0.67714 0.02955 0.66565 1.0000 + O O951 1.0 0.64589 0.06080 0.66565 1.0000 + O O952 1.0 0.61464 0.09205 0.66565 1.0000 + O O953 1.0 0.58339 0.12330 0.66565 1.0000 + O O954 1.0 0.55214 0.15455 0.66565 1.0000 + O O955 1.0 0.52089 0.18580 0.66565 1.0000 + O O956 1.0 0.48964 0.21705 0.66565 1.0000 + O O957 1.0 0.45839 0.24830 0.66565 1.0000 + O O958 1.0 0.42714 0.27955 0.66565 1.0000 + O O959 1.0 0.39589 0.31080 0.66565 1.0000 + O O960 1.0 0.36464 0.34205 0.66565 1.0000 + O O961 1.0 0.86464 0.90455 0.66565 1.0000 + O O962 1.0 0.83339 0.93580 0.66565 1.0000 + O O963 1.0 0.80214 0.96705 0.66565 1.0000 + O O964 1.0 0.77089 0.99830 0.66565 1.0000 + O O965 1.0 0.73964 0.02955 0.66565 1.0000 + O O966 1.0 0.70839 0.06080 0.66565 1.0000 + O O967 1.0 0.67714 0.09205 0.66565 1.0000 + O O968 1.0 0.64589 0.12330 0.66565 1.0000 + O O969 1.0 0.61464 0.15455 0.66565 1.0000 + O O970 1.0 0.58339 0.18580 0.66565 1.0000 + O O971 1.0 0.55214 0.21705 0.66565 1.0000 + O O972 1.0 0.52089 0.24830 0.66565 1.0000 + O O973 1.0 0.48964 0.27955 0.66565 1.0000 + O O974 1.0 0.45839 0.31080 0.66565 1.0000 + O O975 1.0 0.42714 0.34205 0.66565 1.0000 + O O976 1.0 0.39589 0.37330 0.66565 1.0000 + O O977 1.0 0.89589 0.93580 0.66565 1.0000 + O O978 1.0 0.86464 0.96705 0.66565 1.0000 + O O979 1.0 0.83339 0.99830 0.66565 1.0000 + O O980 1.0 0.80214 0.02955 0.66565 1.0000 + O O981 1.0 0.77089 0.06080 0.66565 1.0000 + O O982 1.0 0.73964 0.09205 0.66565 1.0000 + O O983 1.0 0.70839 0.12330 0.66565 1.0000 + O O984 1.0 0.67714 0.15455 0.66565 1.0000 + O O985 1.0 0.64589 0.18580 0.66565 1.0000 + O O986 1.0 0.61464 0.21705 0.66565 1.0000 + O O987 1.0 0.58339 0.24830 0.66565 1.0000 + O O988 1.0 0.55214 0.27955 0.66565 1.0000 + O O989 1.0 0.52089 0.31080 0.66565 1.0000 + O O990 1.0 0.48964 0.34205 0.66565 1.0000 + O O991 1.0 0.45839 0.37330 0.66565 1.0000 + O O992 1.0 0.42714 0.40455 0.66565 1.0000 + O O993 1.0 0.92714 0.96705 0.66565 1.0000 + O O994 1.0 0.89589 0.99830 0.66565 1.0000 + O O995 1.0 0.86464 0.02955 0.66565 1.0000 + O O996 1.0 0.83339 0.06080 0.66565 1.0000 + O O997 1.0 0.80214 0.09205 0.66565 1.0000 + O O998 1.0 0.77089 0.12330 0.66565 1.0000 + O O999 1.0 0.73964 0.15455 0.66565 1.0000 + O O1000 1.0 0.70839 0.18580 0.66565 1.0000 + O O1001 1.0 0.67714 0.21705 0.66565 1.0000 + O O1002 1.0 0.64589 0.24830 0.66565 1.0000 + O O1003 1.0 0.61464 0.27955 0.66565 1.0000 + O O1004 1.0 0.58339 0.31080 0.66565 1.0000 + O O1005 1.0 0.55214 0.34205 0.66565 1.0000 + O O1006 1.0 0.52089 0.37330 0.66565 1.0000 + O O1007 1.0 0.48964 0.40455 0.66565 1.0000 + O O1008 1.0 0.45839 0.43580 0.66565 1.0000 + O O1009 1.0 0.95839 0.99830 0.66565 1.0000 + O O1010 1.0 0.92714 0.02955 0.66565 1.0000 + O O1011 1.0 0.89589 0.06080 0.66565 1.0000 + O O1012 1.0 0.86464 0.09205 0.66565 1.0000 + O O1013 1.0 0.83339 0.12330 0.66565 1.0000 + O O1014 1.0 0.80214 0.15455 0.66565 1.0000 + O O1015 1.0 0.77089 0.18580 0.66565 1.0000 + O O1016 1.0 0.73964 0.21705 0.66565 1.0000 + O O1017 1.0 0.70839 0.24830 0.66565 1.0000 + O O1018 1.0 0.67714 0.27955 0.66565 1.0000 + O O1019 1.0 0.64589 0.31080 0.66565 1.0000 + O O1020 1.0 0.61464 0.34205 0.66565 1.0000 + O O1021 1.0 0.58339 0.37330 0.66565 1.0000 + O O1022 1.0 0.55214 0.40455 0.66565 1.0000 + O O1023 1.0 0.52089 0.43580 0.66565 1.0000 + O O1024 1.0 0.48964 0.46705 0.66565 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5164_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5164_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..1e2eeb8dc30c4d19b1ce464d1a4a2bf9908e6bb6 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5164_supercell_12x12x1.cif @@ -0,0 +1,3481 @@ +data_image0 +_chemical_formula_structural Mn432V144O1152Mn432V144O1152 +_chemical_formula_sum "Mn864 V288 O2304" +_cell_length_a 121.445 +_cell_length_b 70.4948 +_cell_length_c 5.93534 +_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 0.02083 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 0.04167 0.00000 0.50000 1.0000 + Mn Mn146 1.0 0.08333 0.04167 0.50000 1.0000 + Mn Mn147 1.0 0.12500 0.08333 0.50000 1.0000 + Mn Mn148 1.0 0.16667 0.12500 0.50000 1.0000 + Mn Mn149 1.0 0.20833 0.16667 0.50000 1.0000 + Mn Mn150 1.0 0.25000 0.20833 0.50000 1.0000 + Mn Mn151 1.0 0.29167 0.25000 0.50000 1.0000 + Mn Mn152 1.0 0.33333 0.29167 0.50000 1.0000 + Mn Mn153 1.0 0.37500 0.33333 0.50000 1.0000 + Mn Mn154 1.0 0.41667 0.37500 0.50000 1.0000 + Mn Mn155 1.0 0.45833 0.41667 0.50000 1.0000 + Mn Mn156 1.0 0.50000 0.45833 0.50000 1.0000 + Mn Mn157 1.0 0.08333 0.95833 0.50000 1.0000 + Mn Mn158 1.0 0.12500 0.00000 0.50000 1.0000 + Mn Mn159 1.0 0.16667 0.04167 0.50000 1.0000 + Mn Mn160 1.0 0.20833 0.08333 0.50000 1.0000 + Mn Mn161 1.0 0.25000 0.12500 0.50000 1.0000 + Mn Mn162 1.0 0.29167 0.16667 0.50000 1.0000 + Mn Mn163 1.0 0.33333 0.20833 0.50000 1.0000 + Mn Mn164 1.0 0.37500 0.25000 0.50000 1.0000 + Mn Mn165 1.0 0.41667 0.29167 0.50000 1.0000 + Mn Mn166 1.0 0.45833 0.33333 0.50000 1.0000 + Mn Mn167 1.0 0.50000 0.37500 0.50000 1.0000 + Mn Mn168 1.0 0.54167 0.41667 0.50000 1.0000 + Mn Mn169 1.0 0.12500 0.91667 0.50000 1.0000 + Mn Mn170 1.0 0.16667 0.95833 0.50000 1.0000 + Mn Mn171 1.0 0.20833 0.00000 0.50000 1.0000 + Mn Mn172 1.0 0.25000 0.04167 0.50000 1.0000 + Mn Mn173 1.0 0.29167 0.08333 0.50000 1.0000 + Mn Mn174 1.0 0.33333 0.12500 0.50000 1.0000 + Mn Mn175 1.0 0.37500 0.16667 0.50000 1.0000 + Mn Mn176 1.0 0.41667 0.20833 0.50000 1.0000 + Mn Mn177 1.0 0.45833 0.25000 0.50000 1.0000 + Mn Mn178 1.0 0.50000 0.29167 0.50000 1.0000 + Mn Mn179 1.0 0.54167 0.33333 0.50000 1.0000 + Mn Mn180 1.0 0.58333 0.37500 0.50000 1.0000 + Mn Mn181 1.0 0.16667 0.87500 0.50000 1.0000 + Mn Mn182 1.0 0.20833 0.91667 0.50000 1.0000 + Mn Mn183 1.0 0.25000 0.95833 0.50000 1.0000 + Mn Mn184 1.0 0.29167 0.00000 0.50000 1.0000 + Mn Mn185 1.0 0.33333 0.04167 0.50000 1.0000 + Mn Mn186 1.0 0.37500 0.08333 0.50000 1.0000 + Mn Mn187 1.0 0.41667 0.12500 0.50000 1.0000 + Mn Mn188 1.0 0.45833 0.16667 0.50000 1.0000 + Mn Mn189 1.0 0.50000 0.20833 0.50000 1.0000 + Mn Mn190 1.0 0.54167 0.25000 0.50000 1.0000 + Mn Mn191 1.0 0.58333 0.29167 0.50000 1.0000 + Mn Mn192 1.0 0.62500 0.33333 0.50000 1.0000 + Mn Mn193 1.0 0.20833 0.83333 0.50000 1.0000 + Mn Mn194 1.0 0.25000 0.87500 0.50000 1.0000 + Mn Mn195 1.0 0.29167 0.91667 0.50000 1.0000 + Mn Mn196 1.0 0.33333 0.95833 0.50000 1.0000 + Mn Mn197 1.0 0.37500 0.00000 0.50000 1.0000 + Mn Mn198 1.0 0.41667 0.04167 0.50000 1.0000 + Mn Mn199 1.0 0.45833 0.08333 0.50000 1.0000 + Mn Mn200 1.0 0.50000 0.12500 0.50000 1.0000 + Mn Mn201 1.0 0.54167 0.16667 0.50000 1.0000 + Mn Mn202 1.0 0.58333 0.20833 0.50000 1.0000 + Mn Mn203 1.0 0.62500 0.25000 0.50000 1.0000 + Mn Mn204 1.0 0.66667 0.29167 0.50000 1.0000 + Mn Mn205 1.0 0.25000 0.79167 0.50000 1.0000 + Mn Mn206 1.0 0.29167 0.83333 0.50000 1.0000 + Mn Mn207 1.0 0.33333 0.87500 0.50000 1.0000 + Mn Mn208 1.0 0.37500 0.91667 0.50000 1.0000 + Mn Mn209 1.0 0.41667 0.95833 0.50000 1.0000 + Mn Mn210 1.0 0.45833 0.00000 0.50000 1.0000 + Mn Mn211 1.0 0.50000 0.04167 0.50000 1.0000 + Mn Mn212 1.0 0.54167 0.08333 0.50000 1.0000 + Mn Mn213 1.0 0.58333 0.12500 0.50000 1.0000 + Mn Mn214 1.0 0.62500 0.16667 0.50000 1.0000 + Mn Mn215 1.0 0.66667 0.20833 0.50000 1.0000 + Mn Mn216 1.0 0.70833 0.25000 0.50000 1.0000 + Mn Mn217 1.0 0.29167 0.75000 0.50000 1.0000 + Mn Mn218 1.0 0.33333 0.79167 0.50000 1.0000 + Mn Mn219 1.0 0.37500 0.83333 0.50000 1.0000 + Mn Mn220 1.0 0.41667 0.87500 0.50000 1.0000 + Mn Mn221 1.0 0.45833 0.91667 0.50000 1.0000 + Mn Mn222 1.0 0.50000 0.95833 0.50000 1.0000 + Mn Mn223 1.0 0.54167 0.00000 0.50000 1.0000 + Mn Mn224 1.0 0.58333 0.04167 0.50000 1.0000 + Mn Mn225 1.0 0.62500 0.08333 0.50000 1.0000 + Mn Mn226 1.0 0.66667 0.12500 0.50000 1.0000 + Mn Mn227 1.0 0.70833 0.16667 0.50000 1.0000 + Mn Mn228 1.0 0.75000 0.20833 0.50000 1.0000 + Mn Mn229 1.0 0.33333 0.70833 0.50000 1.0000 + Mn Mn230 1.0 0.37500 0.75000 0.50000 1.0000 + Mn Mn231 1.0 0.41667 0.79167 0.50000 1.0000 + Mn Mn232 1.0 0.45833 0.83333 0.50000 1.0000 + Mn Mn233 1.0 0.50000 0.87500 0.50000 1.0000 + Mn Mn234 1.0 0.54167 0.91667 0.50000 1.0000 + Mn Mn235 1.0 0.58333 0.95833 0.50000 1.0000 + Mn Mn236 1.0 0.62500 0.00000 0.50000 1.0000 + Mn Mn237 1.0 0.66667 0.04167 0.50000 1.0000 + Mn Mn238 1.0 0.70833 0.08333 0.50000 1.0000 + Mn Mn239 1.0 0.75000 0.12500 0.50000 1.0000 + Mn Mn240 1.0 0.79167 0.16667 0.50000 1.0000 + Mn Mn241 1.0 0.37500 0.66667 0.50000 1.0000 + Mn Mn242 1.0 0.41667 0.70833 0.50000 1.0000 + Mn Mn243 1.0 0.45833 0.75000 0.50000 1.0000 + Mn Mn244 1.0 0.50000 0.79167 0.50000 1.0000 + Mn Mn245 1.0 0.54167 0.83333 0.50000 1.0000 + Mn Mn246 1.0 0.58333 0.87500 0.50000 1.0000 + Mn Mn247 1.0 0.62500 0.91667 0.50000 1.0000 + Mn Mn248 1.0 0.66667 0.95833 0.50000 1.0000 + Mn Mn249 1.0 0.70833 1.00000 0.50000 1.0000 + Mn Mn250 1.0 0.75000 0.04167 0.50000 1.0000 + Mn Mn251 1.0 0.79167 0.08333 0.50000 1.0000 + Mn Mn252 1.0 0.83333 0.12500 0.50000 1.0000 + Mn Mn253 1.0 0.41667 0.62500 0.50000 1.0000 + Mn Mn254 1.0 0.45833 0.66667 0.50000 1.0000 + Mn Mn255 1.0 0.50000 0.70833 0.50000 1.0000 + Mn Mn256 1.0 0.54167 0.75000 0.50000 1.0000 + Mn Mn257 1.0 0.58333 0.79167 0.50000 1.0000 + Mn Mn258 1.0 0.62500 0.83333 0.50000 1.0000 + Mn Mn259 1.0 0.66667 0.87500 0.50000 1.0000 + Mn Mn260 1.0 0.70833 0.91667 0.50000 1.0000 + Mn Mn261 1.0 0.75000 0.95833 0.50000 1.0000 + Mn Mn262 1.0 0.79167 0.00000 0.50000 1.0000 + Mn Mn263 1.0 0.83333 0.04167 0.50000 1.0000 + Mn Mn264 1.0 0.87500 0.08333 0.50000 1.0000 + Mn Mn265 1.0 0.45833 0.58333 0.50000 1.0000 + Mn Mn266 1.0 0.50000 0.62500 0.50000 1.0000 + Mn Mn267 1.0 0.54167 0.66667 0.50000 1.0000 + Mn Mn268 1.0 0.58333 0.70833 0.50000 1.0000 + Mn Mn269 1.0 0.62500 0.75000 0.50000 1.0000 + Mn Mn270 1.0 0.66667 0.79167 0.50000 1.0000 + Mn Mn271 1.0 0.70833 0.83333 0.50000 1.0000 + Mn Mn272 1.0 0.75000 0.87500 0.50000 1.0000 + Mn Mn273 1.0 0.79167 0.91667 0.50000 1.0000 + Mn Mn274 1.0 0.83333 0.95833 0.50000 1.0000 + Mn Mn275 1.0 0.87500 0.00000 0.50000 1.0000 + Mn Mn276 1.0 0.91667 0.04167 0.50000 1.0000 + Mn Mn277 1.0 0.50000 0.54167 0.50000 1.0000 + Mn Mn278 1.0 0.54167 0.58333 0.50000 1.0000 + Mn Mn279 1.0 0.58333 0.62500 0.50000 1.0000 + Mn Mn280 1.0 0.62500 0.66667 0.50000 1.0000 + Mn Mn281 1.0 0.66667 0.70833 0.50000 1.0000 + Mn Mn282 1.0 0.70833 0.75000 0.50000 1.0000 + Mn Mn283 1.0 0.75000 0.79167 0.50000 1.0000 + Mn Mn284 1.0 0.79167 0.83333 0.50000 1.0000 + Mn Mn285 1.0 0.83333 0.87500 0.50000 1.0000 + Mn Mn286 1.0 0.87500 0.91667 0.50000 1.0000 + Mn Mn287 1.0 0.91667 0.95833 0.50000 1.0000 + Mn Mn288 1.0 0.95833 0.00000 0.50000 1.0000 + Mn Mn289 1.0 0.02083 0.02083 0.50000 1.0000 + Mn Mn290 1.0 0.06250 0.06250 0.50000 1.0000 + Mn Mn291 1.0 0.60417 0.60417 0.50000 1.0000 + Mn Mn292 1.0 0.14583 0.14583 0.50000 1.0000 + Mn Mn293 1.0 0.68750 0.68750 0.50000 1.0000 + Mn Mn294 1.0 0.22917 0.22917 0.50000 1.0000 + Mn Mn295 1.0 0.27083 0.27083 0.50000 1.0000 + Mn Mn296 1.0 0.31250 0.31250 0.50000 1.0000 + Mn Mn297 1.0 0.35417 0.35417 0.50000 1.0000 + Mn Mn298 1.0 0.39583 0.39583 0.50000 1.0000 + Mn Mn299 1.0 0.43750 0.43750 0.50000 1.0000 + Mn Mn300 1.0 0.47917 0.47917 0.50000 1.0000 + Mn Mn301 1.0 0.06250 0.97917 0.50000 1.0000 + Mn Mn302 1.0 0.10417 0.02083 0.50000 1.0000 + Mn Mn303 1.0 0.14583 0.06250 0.50000 1.0000 + Mn Mn304 1.0 0.18750 0.10417 0.50000 1.0000 + Mn Mn305 1.0 0.22917 0.14583 0.50000 1.0000 + Mn Mn306 1.0 0.27083 0.18750 0.50000 1.0000 + Mn Mn307 1.0 0.31250 0.22917 0.50000 1.0000 + Mn Mn308 1.0 0.35417 0.27083 0.50000 1.0000 + Mn Mn309 1.0 0.39583 0.31250 0.50000 1.0000 + Mn Mn310 1.0 0.43750 0.35417 0.50000 1.0000 + Mn Mn311 1.0 0.47917 0.39583 0.50000 1.0000 + Mn Mn312 1.0 0.52083 0.43750 0.50000 1.0000 + Mn Mn313 1.0 0.10417 0.93750 0.50000 1.0000 + Mn Mn314 1.0 0.14583 0.97917 0.50000 1.0000 + Mn Mn315 1.0 0.18750 0.02083 0.50000 1.0000 + Mn Mn316 1.0 0.22917 0.06250 0.50000 1.0000 + Mn Mn317 1.0 0.27083 0.10417 0.50000 1.0000 + Mn Mn318 1.0 0.31250 0.14583 0.50000 1.0000 + Mn Mn319 1.0 0.35417 0.18750 0.50000 1.0000 + Mn Mn320 1.0 0.39583 0.22917 0.50000 1.0000 + Mn Mn321 1.0 0.43750 0.27083 0.50000 1.0000 + Mn Mn322 1.0 0.47917 0.31250 0.50000 1.0000 + Mn Mn323 1.0 0.52083 0.35417 0.50000 1.0000 + Mn Mn324 1.0 0.56250 0.39583 0.50000 1.0000 + Mn Mn325 1.0 0.14583 0.89583 0.50000 1.0000 + Mn Mn326 1.0 0.18750 0.93750 0.50000 1.0000 + Mn Mn327 1.0 0.22917 0.97917 0.50000 1.0000 + Mn Mn328 1.0 0.27083 0.02083 0.50000 1.0000 + Mn Mn329 1.0 0.31250 0.06250 0.50000 1.0000 + Mn Mn330 1.0 0.35417 0.10417 0.50000 1.0000 + Mn Mn331 1.0 0.39583 0.14583 0.50000 1.0000 + Mn Mn332 1.0 0.43750 0.18750 0.50000 1.0000 + Mn Mn333 1.0 0.47917 0.22917 0.50000 1.0000 + Mn Mn334 1.0 0.52083 0.27083 0.50000 1.0000 + Mn Mn335 1.0 0.56250 0.31250 0.50000 1.0000 + Mn Mn336 1.0 0.60417 0.35417 0.50000 1.0000 + Mn Mn337 1.0 0.18750 0.85417 0.50000 1.0000 + Mn Mn338 1.0 0.22917 0.89583 0.50000 1.0000 + Mn Mn339 1.0 0.27083 0.93750 0.50000 1.0000 + Mn Mn340 1.0 0.31250 0.97917 0.50000 1.0000 + Mn Mn341 1.0 0.35417 0.02083 0.50000 1.0000 + Mn Mn342 1.0 0.39583 0.06250 0.50000 1.0000 + Mn Mn343 1.0 0.43750 0.10417 0.50000 1.0000 + Mn Mn344 1.0 0.47917 0.14583 0.50000 1.0000 + Mn Mn345 1.0 0.52083 0.18750 0.50000 1.0000 + Mn Mn346 1.0 0.56250 0.22917 0.50000 1.0000 + Mn Mn347 1.0 0.60417 0.27083 0.50000 1.0000 + Mn Mn348 1.0 0.64583 0.31250 0.50000 1.0000 + Mn Mn349 1.0 0.22917 0.81250 0.50000 1.0000 + Mn Mn350 1.0 0.27083 0.85417 0.50000 1.0000 + Mn Mn351 1.0 0.31250 0.89583 0.50000 1.0000 + Mn Mn352 1.0 0.35417 0.93750 0.50000 1.0000 + Mn Mn353 1.0 0.39583 0.97917 0.50000 1.0000 + Mn Mn354 1.0 0.43750 0.02083 0.50000 1.0000 + Mn Mn355 1.0 0.47917 0.06250 0.50000 1.0000 + Mn Mn356 1.0 0.52083 0.10417 0.50000 1.0000 + Mn Mn357 1.0 0.56250 0.14583 0.50000 1.0000 + Mn Mn358 1.0 0.60417 0.18750 0.50000 1.0000 + Mn Mn359 1.0 0.64583 0.22917 0.50000 1.0000 + Mn Mn360 1.0 0.68750 0.27083 0.50000 1.0000 + Mn Mn361 1.0 0.27083 0.77083 0.50000 1.0000 + Mn Mn362 1.0 0.31250 0.81250 0.50000 1.0000 + Mn Mn363 1.0 0.35417 0.85417 0.50000 1.0000 + Mn Mn364 1.0 0.39583 0.89583 0.50000 1.0000 + Mn Mn365 1.0 0.43750 0.93750 0.50000 1.0000 + Mn Mn366 1.0 0.47917 0.97917 0.50000 1.0000 + Mn Mn367 1.0 0.52083 0.02083 0.50000 1.0000 + Mn Mn368 1.0 0.56250 0.06250 0.50000 1.0000 + Mn Mn369 1.0 0.60417 0.10417 0.50000 1.0000 + Mn Mn370 1.0 0.64583 0.14583 0.50000 1.0000 + Mn Mn371 1.0 0.68750 0.18750 0.50000 1.0000 + Mn Mn372 1.0 0.72917 0.22917 0.50000 1.0000 + Mn Mn373 1.0 0.31250 0.72917 0.50000 1.0000 + Mn Mn374 1.0 0.35417 0.77083 0.50000 1.0000 + Mn Mn375 1.0 0.39583 0.81250 0.50000 1.0000 + Mn Mn376 1.0 0.43750 0.85417 0.50000 1.0000 + Mn Mn377 1.0 0.47917 0.89583 0.50000 1.0000 + Mn Mn378 1.0 0.52083 0.93750 0.50000 1.0000 + Mn Mn379 1.0 0.56250 0.97917 0.50000 1.0000 + Mn Mn380 1.0 0.60417 0.02083 0.50000 1.0000 + Mn Mn381 1.0 0.64583 0.06250 0.50000 1.0000 + Mn Mn382 1.0 0.68750 0.10417 0.50000 1.0000 + Mn Mn383 1.0 0.72917 0.14583 0.50000 1.0000 + Mn Mn384 1.0 0.77083 0.18750 0.50000 1.0000 + Mn Mn385 1.0 0.35417 0.68750 0.50000 1.0000 + Mn Mn386 1.0 0.39583 0.72917 0.50000 1.0000 + Mn Mn387 1.0 0.43750 0.77083 0.50000 1.0000 + Mn Mn388 1.0 0.47917 0.81250 0.50000 1.0000 + Mn Mn389 1.0 0.52083 0.85417 0.50000 1.0000 + Mn Mn390 1.0 0.56250 0.89583 0.50000 1.0000 + Mn Mn391 1.0 0.60417 0.93750 0.50000 1.0000 + Mn Mn392 1.0 0.64583 0.97917 0.50000 1.0000 + Mn Mn393 1.0 0.68750 0.02083 0.50000 1.0000 + Mn Mn394 1.0 0.72917 0.06250 0.50000 1.0000 + Mn Mn395 1.0 0.77083 0.10417 0.50000 1.0000 + Mn Mn396 1.0 0.81250 0.14583 0.50000 1.0000 + Mn Mn397 1.0 0.39583 0.64583 0.50000 1.0000 + Mn Mn398 1.0 0.43750 0.68750 0.50000 1.0000 + Mn Mn399 1.0 0.47917 0.72917 0.50000 1.0000 + Mn Mn400 1.0 0.52083 0.77083 0.50000 1.0000 + Mn Mn401 1.0 0.56250 0.81250 0.50000 1.0000 + Mn Mn402 1.0 0.60417 0.85417 0.50000 1.0000 + Mn Mn403 1.0 0.64583 0.89583 0.50000 1.0000 + Mn Mn404 1.0 0.68750 0.93750 0.50000 1.0000 + Mn Mn405 1.0 0.72917 0.97917 0.50000 1.0000 + Mn Mn406 1.0 0.77083 0.02083 0.50000 1.0000 + Mn Mn407 1.0 0.81250 0.06250 0.50000 1.0000 + Mn Mn408 1.0 0.85417 0.10417 0.50000 1.0000 + Mn Mn409 1.0 0.43750 0.60417 0.50000 1.0000 + Mn Mn410 1.0 0.47917 0.64583 0.50000 1.0000 + Mn Mn411 1.0 0.52083 0.68750 0.50000 1.0000 + Mn Mn412 1.0 0.56250 0.72917 0.50000 1.0000 + Mn Mn413 1.0 0.60417 0.77083 0.50000 1.0000 + Mn Mn414 1.0 0.64583 0.81250 0.50000 1.0000 + Mn Mn415 1.0 0.68750 0.85417 0.50000 1.0000 + Mn Mn416 1.0 0.72917 0.89583 0.50000 1.0000 + Mn Mn417 1.0 0.77083 0.93750 0.50000 1.0000 + Mn Mn418 1.0 0.81250 0.97917 0.50000 1.0000 + Mn Mn419 1.0 0.85417 0.02083 0.50000 1.0000 + Mn Mn420 1.0 0.89583 0.06250 0.50000 1.0000 + Mn Mn421 1.0 0.47917 0.56250 0.50000 1.0000 + Mn Mn422 1.0 0.52083 0.60417 0.50000 1.0000 + Mn Mn423 1.0 0.56250 0.64583 0.50000 1.0000 + Mn Mn424 1.0 0.60417 0.68750 0.50000 1.0000 + Mn Mn425 1.0 0.64583 0.72917 0.50000 1.0000 + Mn Mn426 1.0 0.68750 0.77083 0.50000 1.0000 + Mn Mn427 1.0 0.72917 0.81250 0.50000 1.0000 + Mn Mn428 1.0 0.77083 0.85417 0.50000 1.0000 + Mn Mn429 1.0 0.81250 0.89583 0.50000 1.0000 + Mn Mn430 1.0 0.85417 0.93750 0.50000 1.0000 + Mn Mn431 1.0 0.89583 0.97917 0.50000 1.0000 + Mn Mn432 1.0 0.93750 0.02083 0.50000 1.0000 + V V1 1.0 0.00000 0.00000 0.50000 1.0000 + V V2 1.0 0.04167 0.04167 0.50000 1.0000 + V V3 1.0 0.08333 0.08333 0.50000 1.0000 + V V4 1.0 0.12500 0.12500 0.50000 1.0000 + V V5 1.0 0.16667 0.16667 0.50000 1.0000 + V V6 1.0 0.70833 0.70833 0.50000 1.0000 + V V7 1.0 0.25000 0.25000 0.50000 1.0000 + V V8 1.0 0.29167 0.29167 0.50000 1.0000 + V V9 1.0 0.33333 0.33333 0.50000 1.0000 + V V10 1.0 0.87500 0.87500 0.50000 1.0000 + V V11 1.0 0.41667 0.41667 0.50000 1.0000 + V V12 1.0 0.45833 0.45833 0.50000 1.0000 + V V13 1.0 0.04167 0.95833 0.50000 1.0000 + V V14 1.0 0.08333 0.00000 0.50000 1.0000 + V V15 1.0 0.12500 0.04167 0.50000 1.0000 + V V16 1.0 0.16667 0.08333 0.50000 1.0000 + V V17 1.0 0.20833 0.12500 0.50000 1.0000 + V V18 1.0 0.25000 0.16667 0.50000 1.0000 + V V19 1.0 0.29167 0.20833 0.50000 1.0000 + V V20 1.0 0.33333 0.25000 0.50000 1.0000 + V V21 1.0 0.37500 0.29167 0.50000 1.0000 + V V22 1.0 0.41667 0.33333 0.50000 1.0000 + V V23 1.0 0.45833 0.37500 0.50000 1.0000 + V V24 1.0 0.50000 0.41667 0.50000 1.0000 + V V25 1.0 0.08333 0.91667 0.50000 1.0000 + V V26 1.0 0.12500 0.95833 0.50000 1.0000 + V V27 1.0 0.16667 0.00000 0.50000 1.0000 + V V28 1.0 0.20833 0.04167 0.50000 1.0000 + V V29 1.0 0.25000 0.08333 0.50000 1.0000 + V V30 1.0 0.29167 0.12500 0.50000 1.0000 + V V31 1.0 0.33333 0.16667 0.50000 1.0000 + V V32 1.0 0.37500 0.20833 0.50000 1.0000 + V 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0.95844 0.33696 1.0000 + O O891 1.0 0.18064 0.00011 0.33696 1.0000 + O O892 1.0 0.22231 0.04177 0.33696 1.0000 + O O893 1.0 0.26398 0.08344 0.33696 1.0000 + O O894 1.0 0.30564 0.12511 0.33696 1.0000 + O O895 1.0 0.34731 0.16677 0.33696 1.0000 + O O896 1.0 0.38898 0.20844 0.33696 1.0000 + O O897 1.0 0.43064 0.25011 0.33696 1.0000 + O O898 1.0 0.47231 0.29177 0.33696 1.0000 + O O899 1.0 0.51398 0.33344 0.33696 1.0000 + O O900 1.0 0.55564 0.37511 0.33696 1.0000 + O O901 1.0 0.13898 0.87511 0.33696 1.0000 + O O902 1.0 0.18064 0.91677 0.33696 1.0000 + O O903 1.0 0.22231 0.95844 0.33696 1.0000 + O O904 1.0 0.26398 0.00011 0.33696 1.0000 + O O905 1.0 0.30564 0.04177 0.33696 1.0000 + O O906 1.0 0.34731 0.08344 0.33696 1.0000 + O O907 1.0 0.38898 0.12511 0.33696 1.0000 + O O908 1.0 0.43064 0.16677 0.33696 1.0000 + O O909 1.0 0.47231 0.20844 0.33696 1.0000 + O O910 1.0 0.51398 0.25011 0.33696 1.0000 + O O911 1.0 0.55564 0.29177 0.33696 1.0000 + O O912 1.0 0.59731 0.33344 0.33696 1.0000 + O O913 1.0 0.18064 0.83344 0.33696 1.0000 + O O914 1.0 0.22231 0.87511 0.33696 1.0000 + O O915 1.0 0.26398 0.91677 0.33696 1.0000 + O O916 1.0 0.30564 0.95844 0.33696 1.0000 + O O917 1.0 0.34731 0.00011 0.33696 1.0000 + O O918 1.0 0.38898 0.04177 0.33696 1.0000 + O O919 1.0 0.43064 0.08344 0.33696 1.0000 + O O920 1.0 0.47231 0.12511 0.33696 1.0000 + O O921 1.0 0.51398 0.16677 0.33696 1.0000 + O O922 1.0 0.55564 0.20844 0.33696 1.0000 + O O923 1.0 0.59731 0.25011 0.33696 1.0000 + O O924 1.0 0.63898 0.29177 0.33696 1.0000 + O O925 1.0 0.22231 0.79177 0.33696 1.0000 + O O926 1.0 0.26398 0.83344 0.33696 1.0000 + O O927 1.0 0.30564 0.87511 0.33696 1.0000 + O O928 1.0 0.34731 0.91677 0.33696 1.0000 + O O929 1.0 0.38898 0.95844 0.33696 1.0000 + O O930 1.0 0.43064 0.00011 0.33696 1.0000 + O O931 1.0 0.47231 0.04177 0.33696 1.0000 + O O932 1.0 0.51398 0.08344 0.33696 1.0000 + O O933 1.0 0.55564 0.12511 0.33696 1.0000 + O O934 1.0 0.59731 0.16677 0.33696 1.0000 + O O935 1.0 0.63898 0.20844 0.33696 1.0000 + O O936 1.0 0.68064 0.25011 0.33696 1.0000 + O O937 1.0 0.26398 0.75011 0.33696 1.0000 + O O938 1.0 0.30564 0.79177 0.33696 1.0000 + O O939 1.0 0.34731 0.83344 0.33696 1.0000 + O O940 1.0 0.38898 0.87511 0.33696 1.0000 + O O941 1.0 0.43064 0.91677 0.33696 1.0000 + O O942 1.0 0.47231 0.95844 0.33696 1.0000 + O O943 1.0 0.51398 0.00011 0.33696 1.0000 + O O944 1.0 0.55564 0.04177 0.33696 1.0000 + O O945 1.0 0.59731 0.08344 0.33696 1.0000 + O O946 1.0 0.63898 0.12511 0.33696 1.0000 + O O947 1.0 0.68064 0.16677 0.33696 1.0000 + O O948 1.0 0.72231 0.20844 0.33696 1.0000 + O O949 1.0 0.30564 0.70844 0.33696 1.0000 + O O950 1.0 0.34731 0.75011 0.33696 1.0000 + O O951 1.0 0.38898 0.79177 0.33696 1.0000 + O O952 1.0 0.43064 0.83344 0.33696 1.0000 + O O953 1.0 0.47231 0.87511 0.33696 1.0000 + O O954 1.0 0.51398 0.91677 0.33696 1.0000 + O O955 1.0 0.55564 0.95844 0.33696 1.0000 + O O956 1.0 0.59731 0.00011 0.33696 1.0000 + O O957 1.0 0.63898 0.04177 0.33696 1.0000 + O O958 1.0 0.68064 0.08344 0.33696 1.0000 + O O959 1.0 0.72231 0.12511 0.33696 1.0000 + O O960 1.0 0.76398 0.16677 0.33696 1.0000 + O O961 1.0 0.34731 0.66677 0.33696 1.0000 + O O962 1.0 0.38898 0.70844 0.33696 1.0000 + O O963 1.0 0.43064 0.75011 0.33696 1.0000 + O O964 1.0 0.47231 0.79177 0.33696 1.0000 + O O965 1.0 0.51398 0.83344 0.33696 1.0000 + O O966 1.0 0.55564 0.87511 0.33696 1.0000 + O O967 1.0 0.59731 0.91677 0.33696 1.0000 + O O968 1.0 0.63898 0.95844 0.33696 1.0000 + O O969 1.0 0.68064 0.00011 0.33696 1.0000 + O O970 1.0 0.72231 0.04177 0.33696 1.0000 + O O971 1.0 0.76398 0.08344 0.33696 1.0000 + O O972 1.0 0.80564 0.12511 0.33696 1.0000 + O O973 1.0 0.38898 0.62511 0.33696 1.0000 + O O974 1.0 0.43064 0.66677 0.33696 1.0000 + O O975 1.0 0.47231 0.70844 0.33696 1.0000 + O O976 1.0 0.51398 0.75011 0.33696 1.0000 + O O977 1.0 0.55564 0.79177 0.33696 1.0000 + O O978 1.0 0.59731 0.83344 0.33696 1.0000 + O O979 1.0 0.63898 0.87511 0.33696 1.0000 + O O980 1.0 0.68064 0.91677 0.33696 1.0000 + O O981 1.0 0.72231 0.95844 0.33696 1.0000 + O O982 1.0 0.76398 0.00011 0.33696 1.0000 + O O983 1.0 0.80564 0.04177 0.33696 1.0000 + O O984 1.0 0.84731 0.08344 0.33696 1.0000 + O O985 1.0 0.43064 0.58344 0.33696 1.0000 + O O986 1.0 0.47231 0.62511 0.33696 1.0000 + O O987 1.0 0.51398 0.66677 0.33696 1.0000 + O O988 1.0 0.55564 0.70844 0.33696 1.0000 + O O989 1.0 0.59731 0.75011 0.33696 1.0000 + O O990 1.0 0.63898 0.79177 0.33696 1.0000 + O O991 1.0 0.68064 0.83344 0.33696 1.0000 + O O992 1.0 0.72231 0.87511 0.33696 1.0000 + O O993 1.0 0.76398 0.91677 0.33696 1.0000 + O O994 1.0 0.80564 0.95844 0.33696 1.0000 + O O995 1.0 0.84731 0.00011 0.33696 1.0000 + O O996 1.0 0.88898 0.04177 0.33696 1.0000 + O O997 1.0 0.47231 0.54177 0.33696 1.0000 + O O998 1.0 0.51398 0.58344 0.33696 1.0000 + O O999 1.0 0.55564 0.62511 0.33696 1.0000 + O O1000 1.0 0.59731 0.66677 0.33696 1.0000 + O O1001 1.0 0.63898 0.70844 0.33696 1.0000 + O O1002 1.0 0.68064 0.75011 0.33696 1.0000 + O O1003 1.0 0.72231 0.79177 0.33696 1.0000 + O O1004 1.0 0.76398 0.83344 0.33696 1.0000 + O O1005 1.0 0.80564 0.87511 0.33696 1.0000 + O O1006 1.0 0.84731 0.91677 0.33696 1.0000 + O O1007 1.0 0.88898 0.95844 0.33696 1.0000 + O O1008 1.0 0.93064 0.00011 0.33696 1.0000 + O O1009 1.0 0.03475 0.97935 0.33773 1.0000 + O O1010 1.0 0.07641 0.02102 0.33773 1.0000 + O O1011 1.0 0.11808 0.06268 0.33773 1.0000 + O O1012 1.0 0.15975 0.10435 0.33773 1.0000 + O O1013 1.0 0.20141 0.14602 0.33773 1.0000 + O O1014 1.0 0.24308 0.18768 0.33773 1.0000 + O O1015 1.0 0.28475 0.22935 0.33773 1.0000 + O O1016 1.0 0.32641 0.27102 0.33773 1.0000 + O O1017 1.0 0.36808 0.31268 0.33773 1.0000 + O O1018 1.0 0.40975 0.35435 0.33773 1.0000 + O O1019 1.0 0.45141 0.39602 0.33773 1.0000 + O O1020 1.0 0.49308 0.43768 0.33773 1.0000 + O O1021 1.0 0.07641 0.93768 0.33773 1.0000 + O O1022 1.0 0.11808 0.97935 0.33773 1.0000 + O O1023 1.0 0.15975 0.02102 0.33773 1.0000 + O O1024 1.0 0.20141 0.06268 0.33773 1.0000 + O O1025 1.0 0.24308 0.10435 0.33773 1.0000 + O O1026 1.0 0.28475 0.14602 0.33773 1.0000 + O O1027 1.0 0.32641 0.18768 0.33773 1.0000 + O O1028 1.0 0.36808 0.22935 0.33773 1.0000 + O O1029 1.0 0.40975 0.27102 0.33773 1.0000 + O O1030 1.0 0.45141 0.31268 0.33773 1.0000 + O O1031 1.0 0.49308 0.35435 0.33773 1.0000 + O O1032 1.0 0.53475 0.39602 0.33773 1.0000 + O O1033 1.0 0.11808 0.89602 0.33773 1.0000 + O O1034 1.0 0.15975 0.93768 0.33773 1.0000 + O O1035 1.0 0.20141 0.97935 0.33773 1.0000 + O O1036 1.0 0.24308 0.02102 0.33773 1.0000 + O O1037 1.0 0.28475 0.06268 0.33773 1.0000 + O O1038 1.0 0.32641 0.10435 0.33773 1.0000 + O O1039 1.0 0.36808 0.14602 0.33773 1.0000 + O O1040 1.0 0.40975 0.18768 0.33773 1.0000 + O O1041 1.0 0.45141 0.22935 0.33773 1.0000 + O O1042 1.0 0.49308 0.27102 0.33773 1.0000 + O O1043 1.0 0.53475 0.31268 0.33773 1.0000 + O O1044 1.0 0.57641 0.35435 0.33773 1.0000 + O O1045 1.0 0.15975 0.85435 0.33773 1.0000 + O O1046 1.0 0.20141 0.89602 0.33773 1.0000 + O O1047 1.0 0.24308 0.93768 0.33773 1.0000 + O O1048 1.0 0.28475 0.97935 0.33773 1.0000 + O O1049 1.0 0.32641 0.02102 0.33773 1.0000 + O O1050 1.0 0.36808 0.06268 0.33773 1.0000 + O O1051 1.0 0.40975 0.10435 0.33773 1.0000 + O O1052 1.0 0.45141 0.14602 0.33773 1.0000 + O O1053 1.0 0.49308 0.18768 0.33773 1.0000 + O O1054 1.0 0.53475 0.22935 0.33773 1.0000 + O O1055 1.0 0.57641 0.27102 0.33773 1.0000 + O O1056 1.0 0.61808 0.31268 0.33773 1.0000 + O O1057 1.0 0.20141 0.81268 0.33773 1.0000 + O O1058 1.0 0.24308 0.85435 0.33773 1.0000 + O O1059 1.0 0.28475 0.89602 0.33773 1.0000 + O O1060 1.0 0.32641 0.93768 0.33773 1.0000 + O O1061 1.0 0.36808 0.97935 0.33773 1.0000 + O O1062 1.0 0.40975 0.02102 0.33773 1.0000 + O O1063 1.0 0.45141 0.06268 0.33773 1.0000 + O O1064 1.0 0.49308 0.10435 0.33773 1.0000 + O O1065 1.0 0.53475 0.14602 0.33773 1.0000 + O O1066 1.0 0.57641 0.18768 0.33773 1.0000 + O O1067 1.0 0.61808 0.22935 0.33773 1.0000 + O O1068 1.0 0.65975 0.27102 0.33773 1.0000 + O O1069 1.0 0.24308 0.77102 0.33773 1.0000 + O O1070 1.0 0.28475 0.81268 0.33773 1.0000 + O O1071 1.0 0.32641 0.85435 0.33773 1.0000 + O O1072 1.0 0.36808 0.89602 0.33773 1.0000 + O O1073 1.0 0.40975 0.93768 0.33773 1.0000 + O O1074 1.0 0.45141 0.97935 0.33773 1.0000 + O O1075 1.0 0.49308 0.02102 0.33773 1.0000 + O O1076 1.0 0.53475 0.06268 0.33773 1.0000 + O O1077 1.0 0.57641 0.10435 0.33773 1.0000 + O O1078 1.0 0.61808 0.14602 0.33773 1.0000 + O O1079 1.0 0.65975 0.18768 0.33773 1.0000 + O O1080 1.0 0.70141 0.22935 0.33773 1.0000 + O O1081 1.0 0.28475 0.72935 0.33773 1.0000 + O O1082 1.0 0.32641 0.77102 0.33773 1.0000 + O O1083 1.0 0.36808 0.81268 0.33773 1.0000 + O O1084 1.0 0.40975 0.85435 0.33773 1.0000 + O O1085 1.0 0.45141 0.89602 0.33773 1.0000 + O O1086 1.0 0.49308 0.93768 0.33773 1.0000 + O O1087 1.0 0.53475 0.97935 0.33773 1.0000 + O O1088 1.0 0.57641 0.02102 0.33773 1.0000 + O O1089 1.0 0.61808 0.06268 0.33773 1.0000 + O O1090 1.0 0.65975 0.10435 0.33773 1.0000 + O O1091 1.0 0.70141 0.14602 0.33773 1.0000 + O O1092 1.0 0.74308 0.18768 0.33773 1.0000 + O O1093 1.0 0.32641 0.68768 0.33773 1.0000 + O O1094 1.0 0.36808 0.72935 0.33773 1.0000 + O O1095 1.0 0.40975 0.77102 0.33773 1.0000 + O O1096 1.0 0.45141 0.81268 0.33773 1.0000 + O O1097 1.0 0.49308 0.85435 0.33773 1.0000 + O O1098 1.0 0.53475 0.89602 0.33773 1.0000 + O O1099 1.0 0.57641 0.93768 0.33773 1.0000 + O O1100 1.0 0.61808 0.97935 0.33773 1.0000 + O O1101 1.0 0.65975 0.02102 0.33773 1.0000 + O O1102 1.0 0.70141 0.06268 0.33773 1.0000 + O O1103 1.0 0.74308 0.10435 0.33773 1.0000 + O O1104 1.0 0.78475 0.14602 0.33773 1.0000 + O O1105 1.0 0.36808 0.64602 0.33773 1.0000 + O O1106 1.0 0.40975 0.68768 0.33773 1.0000 + O O1107 1.0 0.45141 0.72935 0.33773 1.0000 + O O1108 1.0 0.49308 0.77102 0.33773 1.0000 + O O1109 1.0 0.53475 0.81268 0.33773 1.0000 + O O1110 1.0 0.57641 0.85435 0.33773 1.0000 + O O1111 1.0 0.61808 0.89602 0.33773 1.0000 + O O1112 1.0 0.65975 0.93768 0.33773 1.0000 + O O1113 1.0 0.70141 0.97935 0.33773 1.0000 + O O1114 1.0 0.74308 0.02102 0.33773 1.0000 + O O1115 1.0 0.78475 0.06268 0.33773 1.0000 + O O1116 1.0 0.82641 0.10435 0.33773 1.0000 + O O1117 1.0 0.40975 0.60435 0.33773 1.0000 + O O1118 1.0 0.45141 0.64602 0.33773 1.0000 + O O1119 1.0 0.49308 0.68768 0.33773 1.0000 + O O1120 1.0 0.53475 0.72935 0.33773 1.0000 + O O1121 1.0 0.57641 0.77102 0.33773 1.0000 + O O1122 1.0 0.61808 0.81268 0.33773 1.0000 + O O1123 1.0 0.65975 0.85435 0.33773 1.0000 + O O1124 1.0 0.70141 0.89602 0.33773 1.0000 + O O1125 1.0 0.74308 0.93768 0.33773 1.0000 + O O1126 1.0 0.78475 0.97935 0.33773 1.0000 + O O1127 1.0 0.82641 0.02102 0.33773 1.0000 + O O1128 1.0 0.86808 0.06268 0.33773 1.0000 + O O1129 1.0 0.45141 0.56268 0.33773 1.0000 + O O1130 1.0 0.49308 0.60435 0.33773 1.0000 + O O1131 1.0 0.53475 0.64602 0.33773 1.0000 + O O1132 1.0 0.57641 0.68768 0.33773 1.0000 + O O1133 1.0 0.61808 0.72935 0.33773 1.0000 + O O1134 1.0 0.65975 0.77102 0.33773 1.0000 + O O1135 1.0 0.70141 0.81268 0.33773 1.0000 + O O1136 1.0 0.74308 0.85435 0.33773 1.0000 + O O1137 1.0 0.78475 0.89602 0.33773 1.0000 + O O1138 1.0 0.82641 0.93768 0.33773 1.0000 + O O1139 1.0 0.86808 0.97935 0.33773 1.0000 + O O1140 1.0 0.90975 0.02102 0.33773 1.0000 + O O1141 1.0 0.49308 0.52102 0.33773 1.0000 + O O1142 1.0 0.53475 0.56268 0.33773 1.0000 + O O1143 1.0 0.57641 0.60435 0.33773 1.0000 + O O1144 1.0 0.61808 0.64602 0.33773 1.0000 + O O1145 1.0 0.65975 0.68768 0.33773 1.0000 + O O1146 1.0 0.70141 0.72935 0.33773 1.0000 + O O1147 1.0 0.74308 0.77102 0.33773 1.0000 + O O1148 1.0 0.78475 0.81268 0.33773 1.0000 + O O1149 1.0 0.82641 0.85435 0.33773 1.0000 + O O1150 1.0 0.86808 0.89602 0.33773 1.0000 + O O1151 1.0 0.90975 0.93768 0.33773 1.0000 + O O1152 1.0 0.95141 0.97935 0.33773 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 0.54167 0.50000 0.50000 1.0000 + Mn Mn578 1.0 0.58333 0.54167 0.50000 1.0000 + Mn Mn579 1.0 0.62500 0.58333 0.50000 1.0000 + Mn Mn580 1.0 0.66667 0.62500 0.50000 1.0000 + Mn Mn581 1.0 0.70833 0.66667 0.50000 1.0000 + Mn Mn582 1.0 0.75000 0.70833 0.50000 1.0000 + Mn Mn583 1.0 0.79167 0.75000 0.50000 1.0000 + Mn Mn584 1.0 0.83333 0.79167 0.50000 1.0000 + Mn Mn585 1.0 0.87500 0.83333 0.50000 1.0000 + Mn Mn586 1.0 0.91667 0.87500 0.50000 1.0000 + Mn Mn587 1.0 0.95833 0.91667 0.50000 1.0000 + Mn Mn588 1.0 0.00000 0.95833 0.50000 1.0000 + Mn Mn589 1.0 0.58333 0.45833 0.50000 1.0000 + Mn Mn590 1.0 0.62500 0.50000 0.50000 1.0000 + Mn Mn591 1.0 0.66667 0.54167 0.50000 1.0000 + Mn Mn592 1.0 0.70833 0.58333 0.50000 1.0000 + Mn Mn593 1.0 0.75000 0.62500 0.50000 1.0000 + Mn Mn594 1.0 0.79167 0.66667 0.50000 1.0000 + Mn Mn595 1.0 0.83333 0.70833 0.50000 1.0000 + Mn Mn596 1.0 0.87500 0.75000 0.50000 1.0000 + Mn Mn597 1.0 0.91667 0.79167 0.50000 1.0000 + Mn Mn598 1.0 0.95833 0.83333 0.50000 1.0000 + Mn Mn599 1.0 0.00000 0.87500 0.50000 1.0000 + Mn Mn600 1.0 0.04167 0.91667 0.50000 1.0000 + Mn Mn601 1.0 0.62500 0.41667 0.50000 1.0000 + Mn Mn602 1.0 0.66667 0.45833 0.50000 1.0000 + Mn Mn603 1.0 0.70833 0.50000 0.50000 1.0000 + Mn Mn604 1.0 0.75000 0.54167 0.50000 1.0000 + Mn Mn605 1.0 0.79167 0.58333 0.50000 1.0000 + Mn Mn606 1.0 0.83333 0.62500 0.50000 1.0000 + Mn Mn607 1.0 0.87500 0.66667 0.50000 1.0000 + Mn Mn608 1.0 0.91667 0.70833 0.50000 1.0000 + Mn Mn609 1.0 0.95833 0.75000 0.50000 1.0000 + Mn Mn610 1.0 0.00000 0.79167 0.50000 1.0000 + Mn Mn611 1.0 0.04167 0.83333 0.50000 1.0000 + Mn Mn612 1.0 0.08333 0.87500 0.50000 1.0000 + Mn Mn613 1.0 0.66667 0.37500 0.50000 1.0000 + Mn Mn614 1.0 0.70833 0.41667 0.50000 1.0000 + Mn Mn615 1.0 0.75000 0.45833 0.50000 1.0000 + Mn Mn616 1.0 0.79167 0.50000 0.50000 1.0000 + Mn Mn617 1.0 0.83333 0.54167 0.50000 1.0000 + Mn Mn618 1.0 0.87500 0.58333 0.50000 1.0000 + Mn Mn619 1.0 0.91667 0.62500 0.50000 1.0000 + Mn Mn620 1.0 0.95833 0.66667 0.50000 1.0000 + Mn Mn621 1.0 0.00000 0.70833 0.50000 1.0000 + Mn Mn622 1.0 0.04167 0.75000 0.50000 1.0000 + Mn Mn623 1.0 0.08333 0.79167 0.50000 1.0000 + Mn Mn624 1.0 0.12500 0.83333 0.50000 1.0000 + Mn Mn625 1.0 0.70833 0.33333 0.50000 1.0000 + Mn Mn626 1.0 0.75000 0.37500 0.50000 1.0000 + Mn Mn627 1.0 0.79167 0.41667 0.50000 1.0000 + Mn Mn628 1.0 0.83333 0.45833 0.50000 1.0000 + Mn Mn629 1.0 0.87500 0.50000 0.50000 1.0000 + Mn Mn630 1.0 0.91667 0.54167 0.50000 1.0000 + Mn Mn631 1.0 0.95833 0.58333 0.50000 1.0000 + Mn Mn632 1.0 0.00000 0.62500 0.50000 1.0000 + Mn Mn633 1.0 0.04167 0.66667 0.50000 1.0000 + Mn Mn634 1.0 0.08333 0.70833 0.50000 1.0000 + Mn Mn635 1.0 0.12500 0.75000 0.50000 1.0000 + Mn Mn636 1.0 0.16667 0.79167 0.50000 1.0000 + Mn Mn637 1.0 0.75000 0.29167 0.50000 1.0000 + Mn Mn638 1.0 0.79167 0.33333 0.50000 1.0000 + Mn Mn639 1.0 0.83333 0.37500 0.50000 1.0000 + Mn Mn640 1.0 0.87500 0.41667 0.50000 1.0000 + Mn Mn641 1.0 0.91667 0.45833 0.50000 1.0000 + Mn Mn642 1.0 0.95833 0.50000 0.50000 1.0000 + Mn Mn643 1.0 0.00000 0.54167 0.50000 1.0000 + Mn Mn644 1.0 0.04167 0.58333 0.50000 1.0000 + Mn Mn645 1.0 0.08333 0.62500 0.50000 1.0000 + Mn Mn646 1.0 0.12500 0.66667 0.50000 1.0000 + Mn Mn647 1.0 0.16667 0.70833 0.50000 1.0000 + Mn Mn648 1.0 0.20833 0.75000 0.50000 1.0000 + Mn Mn649 1.0 0.79167 0.25000 0.50000 1.0000 + Mn Mn650 1.0 0.83333 0.29167 0.50000 1.0000 + Mn Mn651 1.0 0.87500 0.33333 0.50000 1.0000 + Mn Mn652 1.0 0.91667 0.37500 0.50000 1.0000 + Mn Mn653 1.0 0.95833 0.41667 0.50000 1.0000 + Mn Mn654 1.0 0.00000 0.45833 0.50000 1.0000 + Mn Mn655 1.0 0.04167 0.50000 0.50000 1.0000 + Mn Mn656 1.0 0.08333 0.54167 0.50000 1.0000 + Mn Mn657 1.0 0.12500 0.58333 0.50000 1.0000 + Mn Mn658 1.0 0.16667 0.62500 0.50000 1.0000 + Mn Mn659 1.0 0.20833 0.66667 0.50000 1.0000 + Mn Mn660 1.0 0.25000 0.70833 0.50000 1.0000 + Mn Mn661 1.0 0.83333 0.20833 0.50000 1.0000 + Mn Mn662 1.0 0.87500 0.25000 0.50000 1.0000 + Mn Mn663 1.0 0.91667 0.29167 0.50000 1.0000 + Mn Mn664 1.0 0.95833 0.33333 0.50000 1.0000 + Mn Mn665 1.0 0.00000 0.37500 0.50000 1.0000 + Mn Mn666 1.0 0.04167 0.41667 0.50000 1.0000 + Mn Mn667 1.0 0.08333 0.45833 0.50000 1.0000 + Mn Mn668 1.0 0.12500 0.50000 0.50000 1.0000 + Mn Mn669 1.0 0.16667 0.54167 0.50000 1.0000 + Mn Mn670 1.0 0.20833 0.58333 0.50000 1.0000 + Mn Mn671 1.0 0.25000 0.62500 0.50000 1.0000 + Mn Mn672 1.0 0.29167 0.66667 0.50000 1.0000 + Mn Mn673 1.0 0.87500 0.16667 0.50000 1.0000 + Mn Mn674 1.0 0.91667 0.20833 0.50000 1.0000 + Mn Mn675 1.0 0.95833 0.25000 0.50000 1.0000 + Mn Mn676 1.0 0.00000 0.29167 0.50000 1.0000 + Mn Mn677 1.0 0.04167 0.33333 0.50000 1.0000 + Mn Mn678 1.0 0.08333 0.37500 0.50000 1.0000 + Mn Mn679 1.0 0.12500 0.41667 0.50000 1.0000 + Mn Mn680 1.0 0.16667 0.45833 0.50000 1.0000 + Mn Mn681 1.0 0.20833 0.50000 0.50000 1.0000 + Mn Mn682 1.0 0.25000 0.54167 0.50000 1.0000 + Mn Mn683 1.0 0.29167 0.58333 0.50000 1.0000 + Mn Mn684 1.0 0.33333 0.62500 0.50000 1.0000 + Mn Mn685 1.0 0.91667 0.12500 0.50000 1.0000 + Mn Mn686 1.0 0.95833 0.16667 0.50000 1.0000 + Mn Mn687 1.0 0.00000 0.20833 0.50000 1.0000 + Mn Mn688 1.0 0.04167 0.25000 0.50000 1.0000 + Mn Mn689 1.0 0.08333 0.29167 0.50000 1.0000 + Mn Mn690 1.0 0.12500 0.33333 0.50000 1.0000 + Mn Mn691 1.0 0.16667 0.37500 0.50000 1.0000 + Mn Mn692 1.0 0.20833 0.41667 0.50000 1.0000 + Mn Mn693 1.0 0.25000 0.45833 0.50000 1.0000 + Mn Mn694 1.0 0.29167 0.50000 0.50000 1.0000 + Mn Mn695 1.0 0.33333 0.54167 0.50000 1.0000 + Mn Mn696 1.0 0.37500 0.58333 0.50000 1.0000 + Mn Mn697 1.0 0.95833 0.08333 0.50000 1.0000 + Mn Mn698 1.0 0.00000 0.12500 0.50000 1.0000 + Mn Mn699 1.0 0.04167 0.16667 0.50000 1.0000 + Mn Mn700 1.0 0.08333 0.20833 0.50000 1.0000 + Mn Mn701 1.0 0.12500 0.25000 0.50000 1.0000 + Mn Mn702 1.0 0.16667 0.29167 0.50000 1.0000 + Mn Mn703 1.0 0.20833 0.33333 0.50000 1.0000 + Mn Mn704 1.0 0.25000 0.37500 0.50000 1.0000 + Mn Mn705 1.0 0.29167 0.41667 0.50000 1.0000 + Mn Mn706 1.0 0.33333 0.45833 0.50000 1.0000 + Mn Mn707 1.0 0.37500 0.50000 0.50000 1.0000 + Mn Mn708 1.0 0.41667 0.54167 0.50000 1.0000 + Mn Mn709 1.0 0.00000 0.04167 0.50000 1.0000 + Mn Mn710 1.0 0.04167 0.08333 0.50000 1.0000 + Mn Mn711 1.0 0.08333 0.12500 0.50000 1.0000 + Mn Mn712 1.0 0.12500 0.16667 0.50000 1.0000 + Mn Mn713 1.0 0.16667 0.20833 0.50000 1.0000 + Mn Mn714 1.0 0.20833 0.25000 0.50000 1.0000 + Mn Mn715 1.0 0.25000 0.29167 0.50000 1.0000 + Mn Mn716 1.0 0.29167 0.33333 0.50000 1.0000 + Mn Mn717 1.0 0.33333 0.37500 0.50000 1.0000 + Mn Mn718 1.0 0.37500 0.41667 0.50000 1.0000 + Mn Mn719 1.0 0.41667 0.45833 0.50000 1.0000 + Mn Mn720 1.0 0.45833 0.50000 0.50000 1.0000 + Mn Mn721 1.0 0.52083 0.52083 0.50000 1.0000 + Mn Mn722 1.0 0.56250 0.56250 0.50000 1.0000 + Mn Mn723 1.0 0.10417 0.10417 0.50000 1.0000 + Mn Mn724 1.0 0.64583 0.64583 0.50000 1.0000 + Mn Mn725 1.0 0.18750 0.18750 0.50000 1.0000 + Mn Mn726 1.0 0.72917 0.72917 0.50000 1.0000 + Mn Mn727 1.0 0.77083 0.77083 0.50000 1.0000 + Mn Mn728 1.0 0.81250 0.81250 0.50000 1.0000 + Mn Mn729 1.0 0.85417 0.85417 0.50000 1.0000 + Mn Mn730 1.0 0.89583 0.89583 0.50000 1.0000 + Mn Mn731 1.0 0.93750 0.93750 0.50000 1.0000 + Mn Mn732 1.0 0.97917 0.97917 0.50000 1.0000 + Mn Mn733 1.0 0.56250 0.47917 0.50000 1.0000 + Mn Mn734 1.0 0.60417 0.52083 0.50000 1.0000 + Mn Mn735 1.0 0.64583 0.56250 0.50000 1.0000 + Mn Mn736 1.0 0.68750 0.60417 0.50000 1.0000 + Mn Mn737 1.0 0.72917 0.64583 0.50000 1.0000 + Mn Mn738 1.0 0.77083 0.68750 0.50000 1.0000 + Mn Mn739 1.0 0.81250 0.72917 0.50000 1.0000 + Mn Mn740 1.0 0.85417 0.77083 0.50000 1.0000 + Mn Mn741 1.0 0.89583 0.81250 0.50000 1.0000 + Mn Mn742 1.0 0.93750 0.85417 0.50000 1.0000 + Mn Mn743 1.0 0.97917 0.89583 0.50000 1.0000 + Mn Mn744 1.0 0.02083 0.93750 0.50000 1.0000 + Mn Mn745 1.0 0.60417 0.43750 0.50000 1.0000 + Mn Mn746 1.0 0.64583 0.47917 0.50000 1.0000 + Mn Mn747 1.0 0.68750 0.52083 0.50000 1.0000 + Mn Mn748 1.0 0.72917 0.56250 0.50000 1.0000 + Mn Mn749 1.0 0.77083 0.60417 0.50000 1.0000 + Mn Mn750 1.0 0.81250 0.64583 0.50000 1.0000 + Mn Mn751 1.0 0.85417 0.68750 0.50000 1.0000 + Mn Mn752 1.0 0.89583 0.72917 0.50000 1.0000 + Mn Mn753 1.0 0.93750 0.77083 0.50000 1.0000 + Mn Mn754 1.0 0.97917 0.81250 0.50000 1.0000 + Mn Mn755 1.0 0.02083 0.85417 0.50000 1.0000 + Mn Mn756 1.0 0.06250 0.89583 0.50000 1.0000 + Mn Mn757 1.0 0.64583 0.39583 0.50000 1.0000 + Mn Mn758 1.0 0.68750 0.43750 0.50000 1.0000 + Mn Mn759 1.0 0.72917 0.47917 0.50000 1.0000 + Mn Mn760 1.0 0.77083 0.52083 0.50000 1.0000 + Mn Mn761 1.0 0.81250 0.56250 0.50000 1.0000 + Mn Mn762 1.0 0.85417 0.60417 0.50000 1.0000 + Mn Mn763 1.0 0.89583 0.64583 0.50000 1.0000 + Mn Mn764 1.0 0.93750 0.68750 0.50000 1.0000 + Mn Mn765 1.0 0.97917 0.72917 0.50000 1.0000 + Mn Mn766 1.0 0.02083 0.77083 0.50000 1.0000 + Mn Mn767 1.0 0.06250 0.81250 0.50000 1.0000 + Mn Mn768 1.0 0.10417 0.85417 0.50000 1.0000 + Mn Mn769 1.0 0.68750 0.35417 0.50000 1.0000 + Mn Mn770 1.0 0.72917 0.39583 0.50000 1.0000 + Mn Mn771 1.0 0.77083 0.43750 0.50000 1.0000 + Mn Mn772 1.0 0.81250 0.47917 0.50000 1.0000 + Mn Mn773 1.0 0.85417 0.52083 0.50000 1.0000 + Mn Mn774 1.0 0.89583 0.56250 0.50000 1.0000 + Mn Mn775 1.0 0.93750 0.60417 0.50000 1.0000 + Mn Mn776 1.0 0.97917 0.64583 0.50000 1.0000 + Mn Mn777 1.0 0.02083 0.68750 0.50000 1.0000 + Mn Mn778 1.0 0.06250 0.72917 0.50000 1.0000 + Mn Mn779 1.0 0.10417 0.77083 0.50000 1.0000 + Mn Mn780 1.0 0.14583 0.81250 0.50000 1.0000 + Mn Mn781 1.0 0.72917 0.31250 0.50000 1.0000 + Mn Mn782 1.0 0.77083 0.35417 0.50000 1.0000 + Mn Mn783 1.0 0.81250 0.39583 0.50000 1.0000 + Mn Mn784 1.0 0.85417 0.43750 0.50000 1.0000 + Mn Mn785 1.0 0.89583 0.47917 0.50000 1.0000 + Mn Mn786 1.0 0.93750 0.52083 0.50000 1.0000 + Mn Mn787 1.0 0.97917 0.56250 0.50000 1.0000 + Mn Mn788 1.0 0.02083 0.60417 0.50000 1.0000 + Mn Mn789 1.0 0.06250 0.64583 0.50000 1.0000 + Mn Mn790 1.0 0.10417 0.68750 0.50000 1.0000 + Mn Mn791 1.0 0.14583 0.72917 0.50000 1.0000 + Mn Mn792 1.0 0.18750 0.77083 0.50000 1.0000 + Mn Mn793 1.0 0.77083 0.27083 0.50000 1.0000 + Mn Mn794 1.0 0.81250 0.31250 0.50000 1.0000 + Mn Mn795 1.0 0.85417 0.35417 0.50000 1.0000 + Mn Mn796 1.0 0.89583 0.39583 0.50000 1.0000 + Mn Mn797 1.0 0.93750 0.43750 0.50000 1.0000 + Mn Mn798 1.0 0.97917 0.47917 0.50000 1.0000 + Mn Mn799 1.0 0.02083 0.52083 0.50000 1.0000 + Mn Mn800 1.0 0.06250 0.56250 0.50000 1.0000 + Mn Mn801 1.0 0.10417 0.60417 0.50000 1.0000 + Mn Mn802 1.0 0.14583 0.64583 0.50000 1.0000 + Mn Mn803 1.0 0.18750 0.68750 0.50000 1.0000 + Mn Mn804 1.0 0.22917 0.72917 0.50000 1.0000 + Mn Mn805 1.0 0.81250 0.22917 0.50000 1.0000 + Mn Mn806 1.0 0.85417 0.27083 0.50000 1.0000 + Mn Mn807 1.0 0.89583 0.31250 0.50000 1.0000 + Mn Mn808 1.0 0.93750 0.35417 0.50000 1.0000 + Mn Mn809 1.0 0.97917 0.39583 0.50000 1.0000 + Mn Mn810 1.0 0.02083 0.43750 0.50000 1.0000 + Mn Mn811 1.0 0.06250 0.47917 0.50000 1.0000 + Mn Mn812 1.0 0.10417 0.52083 0.50000 1.0000 + Mn Mn813 1.0 0.14583 0.56250 0.50000 1.0000 + Mn Mn814 1.0 0.18750 0.60417 0.50000 1.0000 + Mn Mn815 1.0 0.22917 0.64583 0.50000 1.0000 + Mn Mn816 1.0 0.27083 0.68750 0.50000 1.0000 + Mn Mn817 1.0 0.85417 0.18750 0.50000 1.0000 + Mn Mn818 1.0 0.89583 0.22917 0.50000 1.0000 + Mn Mn819 1.0 0.93750 0.27083 0.50000 1.0000 + Mn Mn820 1.0 0.97917 0.31250 0.50000 1.0000 + Mn Mn821 1.0 0.02083 0.35417 0.50000 1.0000 + Mn Mn822 1.0 0.06250 0.39583 0.50000 1.0000 + Mn Mn823 1.0 0.10417 0.43750 0.50000 1.0000 + Mn Mn824 1.0 0.14583 0.47917 0.50000 1.0000 + Mn Mn825 1.0 0.18750 0.52083 0.50000 1.0000 + Mn Mn826 1.0 0.22917 0.56250 0.50000 1.0000 + Mn Mn827 1.0 0.27083 0.60417 0.50000 1.0000 + Mn Mn828 1.0 0.31250 0.64583 0.50000 1.0000 + Mn Mn829 1.0 0.89583 0.14583 0.50000 1.0000 + Mn Mn830 1.0 0.93750 0.18750 0.50000 1.0000 + Mn Mn831 1.0 0.97917 0.22917 0.50000 1.0000 + Mn Mn832 1.0 0.02083 0.27083 0.50000 1.0000 + Mn Mn833 1.0 0.06250 0.31250 0.50000 1.0000 + Mn Mn834 1.0 0.10417 0.35417 0.50000 1.0000 + Mn Mn835 1.0 0.14583 0.39583 0.50000 1.0000 + Mn Mn836 1.0 0.18750 0.43750 0.50000 1.0000 + Mn Mn837 1.0 0.22917 0.47917 0.50000 1.0000 + Mn Mn838 1.0 0.27083 0.52083 0.50000 1.0000 + Mn Mn839 1.0 0.31250 0.56250 0.50000 1.0000 + Mn Mn840 1.0 0.35417 0.60417 0.50000 1.0000 + Mn Mn841 1.0 0.93750 0.10417 0.50000 1.0000 + Mn Mn842 1.0 0.97917 0.14583 0.50000 1.0000 + Mn Mn843 1.0 0.02083 0.18750 0.50000 1.0000 + Mn Mn844 1.0 0.06250 0.22917 0.50000 1.0000 + Mn Mn845 1.0 0.10417 0.27083 0.50000 1.0000 + Mn Mn846 1.0 0.14583 0.31250 0.50000 1.0000 + Mn Mn847 1.0 0.18750 0.35417 0.50000 1.0000 + Mn Mn848 1.0 0.22917 0.39583 0.50000 1.0000 + Mn Mn849 1.0 0.27083 0.43750 0.50000 1.0000 + Mn Mn850 1.0 0.31250 0.47917 0.50000 1.0000 + Mn Mn851 1.0 0.35417 0.52083 0.50000 1.0000 + Mn Mn852 1.0 0.39583 0.56250 0.50000 1.0000 + Mn Mn853 1.0 0.97917 0.06250 0.50000 1.0000 + Mn Mn854 1.0 0.02083 0.10417 0.50000 1.0000 + Mn Mn855 1.0 0.06250 0.14583 0.50000 1.0000 + Mn Mn856 1.0 0.10417 0.18750 0.50000 1.0000 + Mn Mn857 1.0 0.14583 0.22917 0.50000 1.0000 + Mn Mn858 1.0 0.18750 0.27083 0.50000 1.0000 + Mn Mn859 1.0 0.22917 0.31250 0.50000 1.0000 + Mn Mn860 1.0 0.27083 0.35417 0.50000 1.0000 + Mn Mn861 1.0 0.31250 0.39583 0.50000 1.0000 + Mn Mn862 1.0 0.35417 0.43750 0.50000 1.0000 + Mn Mn863 1.0 0.39583 0.47917 0.50000 1.0000 + Mn Mn864 1.0 0.43750 0.52083 0.50000 1.0000 + V V145 1.0 0.50000 0.50000 0.50000 1.0000 + V V146 1.0 0.54167 0.54167 0.50000 1.0000 + V V147 1.0 0.58333 0.58333 0.50000 1.0000 + V V148 1.0 0.62500 0.62500 0.50000 1.0000 + V V149 1.0 0.66667 0.66667 0.50000 1.0000 + V V150 1.0 0.20833 0.20833 0.50000 1.0000 + V V151 1.0 0.75000 0.75000 0.50000 1.0000 + V V152 1.0 0.79167 0.79167 0.50000 1.0000 + V 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b/tier2/cif_file/orthogonal_2dm-517_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..1e31a2b662703723bf9c405ea3388e9b064b0cbb --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-517_supercell_12x12x1.cif @@ -0,0 +1,2329 @@ +data_image0 +_chemical_formula_structural W288F864W288F864 +_chemical_formula_sum "W576 F1728" +_cell_length_a 120.453 +_cell_length_b 69.5437 +_cell_length_c 6.0781 +_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 + W W1 1.0 0.00000 0.00000 0.49992 1.0000 + W W2 1.0 0.95833 0.04167 0.49992 1.0000 + W W3 1.0 0.91667 0.08333 0.49992 1.0000 + W W4 1.0 0.87500 0.12500 0.49992 1.0000 + W W5 1.0 0.83333 0.16667 0.49992 1.0000 + W 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0.11001 0.67095 1.0000 + F F1710 1.0 0.70944 0.15167 0.67095 1.0000 + F F1711 1.0 0.66777 0.19334 0.67095 1.0000 + F F1712 1.0 0.62610 0.23501 0.67095 1.0000 + F F1713 1.0 0.58444 0.27667 0.67095 1.0000 + F F1714 1.0 0.54277 0.31834 0.67095 1.0000 + F F1715 1.0 0.50110 0.36001 0.67095 1.0000 + F F1716 1.0 0.45944 0.40167 0.67095 1.0000 + F F1717 1.0 0.95944 0.98501 0.67095 1.0000 + F F1718 1.0 0.91777 0.02667 0.67095 1.0000 + F F1719 1.0 0.87610 0.06834 0.67095 1.0000 + F F1720 1.0 0.83444 0.11001 0.67095 1.0000 + F F1721 1.0 0.79277 0.15167 0.67095 1.0000 + F F1722 1.0 0.75110 0.19334 0.67095 1.0000 + F F1723 1.0 0.70944 0.23501 0.67095 1.0000 + F F1724 1.0 0.66777 0.27667 0.67095 1.0000 + F F1725 1.0 0.62610 0.31834 0.67095 1.0000 + F F1726 1.0 0.58444 0.36001 0.67095 1.0000 + F F1727 1.0 0.54277 0.40167 0.67095 1.0000 + F F1728 1.0 0.50110 0.44334 0.67095 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5185_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5185_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..c147709dd6a6a095e5f132944befbe79d275def1 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5185_supercell_12x12x1.cif @@ -0,0 +1,2617 @@ +data_image0 +_chemical_formula_structural Mn288C576O1728 +_chemical_formula_sum "Mn288 C576 O1728" +_cell_length_a 81.8338 +_cell_length_b 88.3221 +_cell_length_c 6.67983 +_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 0.00000 0.08333 0.50000 1.0000 + Mn Mn3 1.0 0.00000 0.16667 0.50000 1.0000 + Mn Mn4 1.0 0.00000 0.25000 0.50000 1.0000 + Mn Mn5 1.0 0.00000 0.33333 0.50000 1.0000 + Mn Mn6 1.0 0.00000 0.41667 0.50000 1.0000 + Mn Mn7 1.0 0.00000 0.50000 0.50000 1.0000 + Mn Mn8 1.0 0.00000 0.58333 0.50000 1.0000 + Mn Mn9 1.0 0.00000 0.66667 0.50000 1.0000 + Mn Mn10 1.0 0.00000 0.75000 0.50000 1.0000 + Mn Mn11 1.0 0.00000 0.83333 0.50000 1.0000 + Mn Mn12 1.0 0.00000 0.91667 0.50000 1.0000 + Mn Mn13 1.0 0.08333 0.00000 0.50000 1.0000 + Mn Mn14 1.0 0.08333 0.08333 0.50000 1.0000 + Mn Mn15 1.0 0.08333 0.16667 0.50000 1.0000 + Mn Mn16 1.0 0.08333 0.25000 0.50000 1.0000 + Mn Mn17 1.0 0.08333 0.33333 0.50000 1.0000 + Mn Mn18 1.0 0.08333 0.41667 0.50000 1.0000 + Mn Mn19 1.0 0.08333 0.50000 0.50000 1.0000 + Mn Mn20 1.0 0.08333 0.58333 0.50000 1.0000 + Mn Mn21 1.0 0.08333 0.66667 0.50000 1.0000 + Mn Mn22 1.0 0.08333 0.75000 0.50000 1.0000 + Mn Mn23 1.0 0.08333 0.83333 0.50000 1.0000 + Mn Mn24 1.0 0.08333 0.91667 0.50000 1.0000 + Mn Mn25 1.0 0.16667 0.00000 0.50000 1.0000 + Mn Mn26 1.0 0.16667 0.08333 0.50000 1.0000 + Mn Mn27 1.0 0.16667 0.16667 0.50000 1.0000 + Mn Mn28 1.0 0.16667 0.25000 0.50000 1.0000 + Mn Mn29 1.0 0.16667 0.33333 0.50000 1.0000 + Mn Mn30 1.0 0.16667 0.41667 0.50000 1.0000 + Mn Mn31 1.0 0.16667 0.50000 0.50000 1.0000 + Mn Mn32 1.0 0.16667 0.58333 0.50000 1.0000 + Mn Mn33 1.0 0.16667 0.66667 0.50000 1.0000 + Mn Mn34 1.0 0.16667 0.75000 0.50000 1.0000 + Mn Mn35 1.0 0.16667 0.83333 0.50000 1.0000 + Mn Mn36 1.0 0.16667 0.91667 0.50000 1.0000 + Mn Mn37 1.0 0.25000 0.00000 0.50000 1.0000 + Mn Mn38 1.0 0.25000 0.08333 0.50000 1.0000 + Mn Mn39 1.0 0.25000 0.16667 0.50000 1.0000 + Mn Mn40 1.0 0.25000 0.25000 0.50000 1.0000 + Mn Mn41 1.0 0.25000 0.33333 0.50000 1.0000 + Mn Mn42 1.0 0.25000 0.41667 0.50000 1.0000 + Mn Mn43 1.0 0.25000 0.50000 0.50000 1.0000 + Mn Mn44 1.0 0.25000 0.58333 0.50000 1.0000 + Mn Mn45 1.0 0.25000 0.66667 0.50000 1.0000 + Mn Mn46 1.0 0.25000 0.75000 0.50000 1.0000 + Mn Mn47 1.0 0.25000 0.83333 0.50000 1.0000 + Mn Mn48 1.0 0.25000 0.91667 0.50000 1.0000 + Mn Mn49 1.0 0.33333 0.00000 0.50000 1.0000 + Mn Mn50 1.0 0.33333 0.08333 0.50000 1.0000 + Mn Mn51 1.0 0.33333 0.16667 0.50000 1.0000 + Mn Mn52 1.0 0.33333 0.25000 0.50000 1.0000 + Mn Mn53 1.0 0.33333 0.33333 0.50000 1.0000 + Mn Mn54 1.0 0.33333 0.41667 0.50000 1.0000 + Mn Mn55 1.0 0.33333 0.50000 0.50000 1.0000 + Mn Mn56 1.0 0.33333 0.58333 0.50000 1.0000 + Mn Mn57 1.0 0.33333 0.66667 0.50000 1.0000 + Mn Mn58 1.0 0.33333 0.75000 0.50000 1.0000 + Mn Mn59 1.0 0.33333 0.83333 0.50000 1.0000 + Mn Mn60 1.0 0.33333 0.91667 0.50000 1.0000 + Mn Mn61 1.0 0.41667 0.00000 0.50000 1.0000 + Mn Mn62 1.0 0.41667 0.08333 0.50000 1.0000 + Mn Mn63 1.0 0.41667 0.16667 0.50000 1.0000 + Mn Mn64 1.0 0.41667 0.25000 0.50000 1.0000 + Mn Mn65 1.0 0.41667 0.33333 0.50000 1.0000 + Mn Mn66 1.0 0.41667 0.41667 0.50000 1.0000 + Mn Mn67 1.0 0.41667 0.50000 0.50000 1.0000 + Mn Mn68 1.0 0.41667 0.58333 0.50000 1.0000 + Mn Mn69 1.0 0.41667 0.66667 0.50000 1.0000 + Mn Mn70 1.0 0.41667 0.75000 0.50000 1.0000 + Mn Mn71 1.0 0.41667 0.83333 0.50000 1.0000 + Mn Mn72 1.0 0.41667 0.91667 0.50000 1.0000 + Mn Mn73 1.0 0.50000 0.00000 0.50000 1.0000 + Mn Mn74 1.0 0.50000 0.08333 0.50000 1.0000 + Mn Mn75 1.0 0.50000 0.16667 0.50000 1.0000 + Mn Mn76 1.0 0.50000 0.25000 0.50000 1.0000 + Mn Mn77 1.0 0.50000 0.33333 0.50000 1.0000 + Mn Mn78 1.0 0.50000 0.41667 0.50000 1.0000 + Mn Mn79 1.0 0.50000 0.50000 0.50000 1.0000 + Mn Mn80 1.0 0.50000 0.58333 0.50000 1.0000 + Mn Mn81 1.0 0.50000 0.66667 0.50000 1.0000 + Mn Mn82 1.0 0.50000 0.75000 0.50000 1.0000 + Mn Mn83 1.0 0.50000 0.83333 0.50000 1.0000 + Mn Mn84 1.0 0.50000 0.91667 0.50000 1.0000 + Mn Mn85 1.0 0.58333 0.00000 0.50000 1.0000 + Mn Mn86 1.0 0.58333 0.08333 0.50000 1.0000 + Mn Mn87 1.0 0.58333 0.16667 0.50000 1.0000 + Mn Mn88 1.0 0.58333 0.25000 0.50000 1.0000 + Mn Mn89 1.0 0.58333 0.33333 0.50000 1.0000 + Mn Mn90 1.0 0.58333 0.41667 0.50000 1.0000 + Mn Mn91 1.0 0.58333 0.50000 0.50000 1.0000 + Mn Mn92 1.0 0.58333 0.58333 0.50000 1.0000 + Mn Mn93 1.0 0.58333 0.66667 0.50000 1.0000 + Mn Mn94 1.0 0.58333 0.75000 0.50000 1.0000 + Mn Mn95 1.0 0.58333 0.83333 0.50000 1.0000 + Mn Mn96 1.0 0.58333 0.91667 0.50000 1.0000 + Mn Mn97 1.0 0.66667 0.00000 0.50000 1.0000 + Mn Mn98 1.0 0.66667 0.08333 0.50000 1.0000 + Mn Mn99 1.0 0.66667 0.16667 0.50000 1.0000 + Mn Mn100 1.0 0.66667 0.25000 0.50000 1.0000 + Mn Mn101 1.0 0.66667 0.33333 0.50000 1.0000 + Mn Mn102 1.0 0.66667 0.41667 0.50000 1.0000 + Mn Mn103 1.0 0.66667 0.50000 0.50000 1.0000 + Mn Mn104 1.0 0.66667 0.58333 0.50000 1.0000 + Mn Mn105 1.0 0.66667 0.66667 0.50000 1.0000 + Mn Mn106 1.0 0.66667 0.75000 0.50000 1.0000 + Mn Mn107 1.0 0.66667 0.83333 0.50000 1.0000 + Mn Mn108 1.0 0.66667 0.91667 0.50000 1.0000 + Mn Mn109 1.0 0.75000 0.00000 0.50000 1.0000 + Mn Mn110 1.0 0.75000 0.08333 0.50000 1.0000 + Mn Mn111 1.0 0.75000 0.16667 0.50000 1.0000 + Mn Mn112 1.0 0.75000 0.25000 0.50000 1.0000 + Mn Mn113 1.0 0.75000 0.33333 0.50000 1.0000 + Mn Mn114 1.0 0.75000 0.41667 0.50000 1.0000 + Mn Mn115 1.0 0.75000 0.50000 0.50000 1.0000 + Mn Mn116 1.0 0.75000 0.58333 0.50000 1.0000 + Mn Mn117 1.0 0.75000 0.66667 0.50000 1.0000 + Mn Mn118 1.0 0.75000 0.75000 0.50000 1.0000 + Mn Mn119 1.0 0.75000 0.83333 0.50000 1.0000 + Mn Mn120 1.0 0.75000 0.91667 0.50000 1.0000 + Mn Mn121 1.0 0.83333 0.00000 0.50000 1.0000 + Mn Mn122 1.0 0.83333 0.08333 0.50000 1.0000 + Mn Mn123 1.0 0.83333 0.16667 0.50000 1.0000 + Mn Mn124 1.0 0.83333 0.25000 0.50000 1.0000 + Mn Mn125 1.0 0.83333 0.33333 0.50000 1.0000 + Mn Mn126 1.0 0.83333 0.41667 0.50000 1.0000 + Mn Mn127 1.0 0.83333 0.50000 0.50000 1.0000 + Mn Mn128 1.0 0.83333 0.58333 0.50000 1.0000 + Mn Mn129 1.0 0.83333 0.66667 0.50000 1.0000 + Mn Mn130 1.0 0.83333 0.75000 0.50000 1.0000 + Mn Mn131 1.0 0.83333 0.83333 0.50000 1.0000 + Mn Mn132 1.0 0.83333 0.91667 0.50000 1.0000 + Mn Mn133 1.0 0.91667 0.00000 0.50000 1.0000 + Mn Mn134 1.0 0.91667 0.08333 0.50000 1.0000 + Mn Mn135 1.0 0.91667 0.16667 0.50000 1.0000 + Mn Mn136 1.0 0.91667 0.25000 0.50000 1.0000 + Mn Mn137 1.0 0.91667 0.33333 0.50000 1.0000 + Mn Mn138 1.0 0.91667 0.41667 0.50000 1.0000 + Mn Mn139 1.0 0.91667 0.50000 0.50000 1.0000 + Mn Mn140 1.0 0.91667 0.58333 0.50000 1.0000 + Mn Mn141 1.0 0.91667 0.66667 0.50000 1.0000 + Mn Mn142 1.0 0.91667 0.75000 0.50000 1.0000 + Mn Mn143 1.0 0.91667 0.83333 0.50000 1.0000 + Mn Mn144 1.0 0.91667 0.91667 0.50000 1.0000 + Mn Mn145 1.0 0.04167 0.04167 0.50000 1.0000 + Mn Mn146 1.0 0.04167 0.12500 0.50000 1.0000 + Mn Mn147 1.0 0.04167 0.20833 0.50000 1.0000 + Mn Mn148 1.0 0.04167 0.29167 0.50000 1.0000 + Mn Mn149 1.0 0.04167 0.37500 0.50000 1.0000 + Mn Mn150 1.0 0.04167 0.45833 0.50000 1.0000 + Mn Mn151 1.0 0.04167 0.54167 0.50000 1.0000 + Mn Mn152 1.0 0.04167 0.62500 0.50000 1.0000 + Mn Mn153 1.0 0.04167 0.70833 0.50000 1.0000 + Mn Mn154 1.0 0.04167 0.79167 0.50000 1.0000 + Mn Mn155 1.0 0.04167 0.87500 0.50000 1.0000 + Mn Mn156 1.0 0.04167 0.95833 0.50000 1.0000 + Mn Mn157 1.0 0.12500 0.04167 0.50000 1.0000 + Mn Mn158 1.0 0.12500 0.12500 0.50000 1.0000 + Mn Mn159 1.0 0.12500 0.20833 0.50000 1.0000 + Mn Mn160 1.0 0.12500 0.29167 0.50000 1.0000 + Mn Mn161 1.0 0.12500 0.37500 0.50000 1.0000 + Mn Mn162 1.0 0.12500 0.45833 0.50000 1.0000 + Mn Mn163 1.0 0.12500 0.54167 0.50000 1.0000 + Mn Mn164 1.0 0.12500 0.62500 0.50000 1.0000 + Mn Mn165 1.0 0.12500 0.70833 0.50000 1.0000 + Mn Mn166 1.0 0.12500 0.79167 0.50000 1.0000 + Mn Mn167 1.0 0.12500 0.87500 0.50000 1.0000 + Mn Mn168 1.0 0.12500 0.95833 0.50000 1.0000 + Mn Mn169 1.0 0.20833 0.04167 0.50000 1.0000 + Mn Mn170 1.0 0.20833 0.12500 0.50000 1.0000 + Mn Mn171 1.0 0.20833 0.20833 0.50000 1.0000 + Mn Mn172 1.0 0.20833 0.29167 0.50000 1.0000 + Mn Mn173 1.0 0.20833 0.37500 0.50000 1.0000 + Mn Mn174 1.0 0.20833 0.45833 0.50000 1.0000 + Mn Mn175 1.0 0.20833 0.54167 0.50000 1.0000 + Mn Mn176 1.0 0.20833 0.62500 0.50000 1.0000 + Mn Mn177 1.0 0.20833 0.70833 0.50000 1.0000 + Mn Mn178 1.0 0.20833 0.79167 0.50000 1.0000 + Mn Mn179 1.0 0.20833 0.87500 0.50000 1.0000 + Mn Mn180 1.0 0.20833 0.95833 0.50000 1.0000 + Mn Mn181 1.0 0.29167 0.04167 0.50000 1.0000 + Mn Mn182 1.0 0.29167 0.12500 0.50000 1.0000 + Mn Mn183 1.0 0.29167 0.20833 0.50000 1.0000 + Mn Mn184 1.0 0.29167 0.29167 0.50000 1.0000 + Mn Mn185 1.0 0.29167 0.37500 0.50000 1.0000 + Mn Mn186 1.0 0.29167 0.45833 0.50000 1.0000 + Mn Mn187 1.0 0.29167 0.54167 0.50000 1.0000 + Mn Mn188 1.0 0.29167 0.62500 0.50000 1.0000 + Mn Mn189 1.0 0.29167 0.70833 0.50000 1.0000 + Mn Mn190 1.0 0.29167 0.79167 0.50000 1.0000 + Mn Mn191 1.0 0.29167 0.87500 0.50000 1.0000 + Mn Mn192 1.0 0.29167 0.95833 0.50000 1.0000 + Mn Mn193 1.0 0.37500 0.04167 0.50000 1.0000 + Mn Mn194 1.0 0.37500 0.12500 0.50000 1.0000 + Mn Mn195 1.0 0.37500 0.20833 0.50000 1.0000 + Mn Mn196 1.0 0.37500 0.29167 0.50000 1.0000 + Mn Mn197 1.0 0.37500 0.37500 0.50000 1.0000 + Mn Mn198 1.0 0.37500 0.45833 0.50000 1.0000 + Mn Mn199 1.0 0.37500 0.54167 0.50000 1.0000 + Mn Mn200 1.0 0.37500 0.62500 0.50000 1.0000 + Mn Mn201 1.0 0.37500 0.70833 0.50000 1.0000 + Mn Mn202 1.0 0.37500 0.79167 0.50000 1.0000 + Mn Mn203 1.0 0.37500 0.87500 0.50000 1.0000 + Mn Mn204 1.0 0.37500 0.95833 0.50000 1.0000 + Mn Mn205 1.0 0.45833 0.04167 0.50000 1.0000 + Mn Mn206 1.0 0.45833 0.12500 0.50000 1.0000 + Mn Mn207 1.0 0.45833 0.20833 0.50000 1.0000 + Mn Mn208 1.0 0.45833 0.29167 0.50000 1.0000 + Mn Mn209 1.0 0.45833 0.37500 0.50000 1.0000 + Mn Mn210 1.0 0.45833 0.45833 0.50000 1.0000 + Mn Mn211 1.0 0.45833 0.54167 0.50000 1.0000 + Mn Mn212 1.0 0.45833 0.62500 0.50000 1.0000 + Mn Mn213 1.0 0.45833 0.70833 0.50000 1.0000 + Mn Mn214 1.0 0.45833 0.79167 0.50000 1.0000 + Mn Mn215 1.0 0.45833 0.87500 0.50000 1.0000 + Mn Mn216 1.0 0.45833 0.95833 0.50000 1.0000 + Mn Mn217 1.0 0.54167 0.04167 0.50000 1.0000 + Mn Mn218 1.0 0.54167 0.12500 0.50000 1.0000 + Mn Mn219 1.0 0.54167 0.20833 0.50000 1.0000 + Mn Mn220 1.0 0.54167 0.29167 0.50000 1.0000 + Mn Mn221 1.0 0.54167 0.37500 0.50000 1.0000 + Mn Mn222 1.0 0.54167 0.45833 0.50000 1.0000 + Mn Mn223 1.0 0.54167 0.54167 0.50000 1.0000 + Mn Mn224 1.0 0.54167 0.62500 0.50000 1.0000 + Mn Mn225 1.0 0.54167 0.70833 0.50000 1.0000 + Mn Mn226 1.0 0.54167 0.79167 0.50000 1.0000 + Mn Mn227 1.0 0.54167 0.87500 0.50000 1.0000 + Mn Mn228 1.0 0.54167 0.95833 0.50000 1.0000 + Mn Mn229 1.0 0.62500 0.04167 0.50000 1.0000 + Mn Mn230 1.0 0.62500 0.12500 0.50000 1.0000 + Mn Mn231 1.0 0.62500 0.20833 0.50000 1.0000 + Mn Mn232 1.0 0.62500 0.29167 0.50000 1.0000 + Mn Mn233 1.0 0.62500 0.37500 0.50000 1.0000 + Mn Mn234 1.0 0.62500 0.45833 0.50000 1.0000 + Mn Mn235 1.0 0.62500 0.54167 0.50000 1.0000 + Mn Mn236 1.0 0.62500 0.62500 0.50000 1.0000 + Mn Mn237 1.0 0.62500 0.70833 0.50000 1.0000 + Mn Mn238 1.0 0.62500 0.79167 0.50000 1.0000 + Mn Mn239 1.0 0.62500 0.87500 0.50000 1.0000 + Mn Mn240 1.0 0.62500 0.95833 0.50000 1.0000 + Mn Mn241 1.0 0.70833 0.04167 0.50000 1.0000 + Mn Mn242 1.0 0.70833 0.12500 0.50000 1.0000 + Mn Mn243 1.0 0.70833 0.20833 0.50000 1.0000 + Mn Mn244 1.0 0.70833 0.29167 0.50000 1.0000 + Mn Mn245 1.0 0.70833 0.37500 0.50000 1.0000 + Mn Mn246 1.0 0.70833 0.45833 0.50000 1.0000 + Mn Mn247 1.0 0.70833 0.54167 0.50000 1.0000 + Mn Mn248 1.0 0.70833 0.62500 0.50000 1.0000 + Mn Mn249 1.0 0.70833 0.70833 0.50000 1.0000 + Mn Mn250 1.0 0.70833 0.79167 0.50000 1.0000 + Mn Mn251 1.0 0.70833 0.87500 0.50000 1.0000 + Mn Mn252 1.0 0.70833 0.95833 0.50000 1.0000 + Mn Mn253 1.0 0.79167 0.04167 0.50000 1.0000 + Mn Mn254 1.0 0.79167 0.12500 0.50000 1.0000 + Mn Mn255 1.0 0.79167 0.20833 0.50000 1.0000 + Mn Mn256 1.0 0.79167 0.29167 0.50000 1.0000 + Mn Mn257 1.0 0.79167 0.37500 0.50000 1.0000 + Mn Mn258 1.0 0.79167 0.45833 0.50000 1.0000 + Mn Mn259 1.0 0.79167 0.54167 0.50000 1.0000 + Mn Mn260 1.0 0.79167 0.62500 0.50000 1.0000 + Mn Mn261 1.0 0.79167 0.70833 0.50000 1.0000 + Mn Mn262 1.0 0.79167 0.79167 0.50000 1.0000 + Mn Mn263 1.0 0.79167 0.87500 0.50000 1.0000 + Mn Mn264 1.0 0.79167 0.95833 0.50000 1.0000 + Mn Mn265 1.0 0.87500 0.04167 0.50000 1.0000 + Mn Mn266 1.0 0.87500 0.12500 0.50000 1.0000 + Mn Mn267 1.0 0.87500 0.20833 0.50000 1.0000 + Mn Mn268 1.0 0.87500 0.29167 0.50000 1.0000 + Mn Mn269 1.0 0.87500 0.37500 0.50000 1.0000 + Mn Mn270 1.0 0.87500 0.45833 0.50000 1.0000 + Mn Mn271 1.0 0.87500 0.54167 0.50000 1.0000 + Mn Mn272 1.0 0.87500 0.62500 0.50000 1.0000 + Mn Mn273 1.0 0.87500 0.70833 0.50000 1.0000 + Mn Mn274 1.0 0.87500 0.79167 0.50000 1.0000 + Mn Mn275 1.0 0.87500 0.87500 0.50000 1.0000 + Mn Mn276 1.0 0.87500 0.95833 0.50000 1.0000 + Mn Mn277 1.0 0.95833 0.04167 0.50000 1.0000 + Mn Mn278 1.0 0.95833 0.12500 0.50000 1.0000 + Mn Mn279 1.0 0.95833 0.20833 0.50000 1.0000 + Mn Mn280 1.0 0.95833 0.29167 0.50000 1.0000 + Mn Mn281 1.0 0.95833 0.37500 0.50000 1.0000 + Mn Mn282 1.0 0.95833 0.45833 0.50000 1.0000 + Mn Mn283 1.0 0.95833 0.54167 0.50000 1.0000 + Mn Mn284 1.0 0.95833 0.62500 0.50000 1.0000 + Mn Mn285 1.0 0.95833 0.70833 0.50000 1.0000 + Mn Mn286 1.0 0.95833 0.79167 0.50000 1.0000 + Mn Mn287 1.0 0.95833 0.87500 0.50000 1.0000 + Mn Mn288 1.0 0.95833 0.95833 0.50000 1.0000 + C C1 1.0 0.06864 0.02208 0.58556 1.0000 + C C2 1.0 0.06864 0.10541 0.58556 1.0000 + C C3 1.0 0.06864 0.18874 0.58556 1.0000 + C C4 1.0 0.06864 0.27208 0.58556 1.0000 + C C5 1.0 0.06864 0.35541 0.58556 1.0000 + C C6 1.0 0.06864 0.43874 0.58556 1.0000 + C C7 1.0 0.06864 0.52208 0.58556 1.0000 + C C8 1.0 0.06864 0.60541 0.58556 1.0000 + C C9 1.0 0.06864 0.68874 0.58556 1.0000 + C C10 1.0 0.06864 0.77208 0.58556 1.0000 + C C11 1.0 0.06864 0.85541 0.58556 1.0000 + C C12 1.0 0.06864 0.93874 0.58556 1.0000 + C C13 1.0 0.15197 0.02208 0.58556 1.0000 + C C14 1.0 0.15197 0.10541 0.58556 1.0000 + C C15 1.0 0.15197 0.18874 0.58556 1.0000 + C C16 1.0 0.15197 0.27208 0.58556 1.0000 + C C17 1.0 0.15197 0.35541 0.58556 1.0000 + C C18 1.0 0.15197 0.43874 0.58556 1.0000 + C C19 1.0 0.15197 0.52208 0.58556 1.0000 + C C20 1.0 0.15197 0.60541 0.58556 1.0000 + C C21 1.0 0.15197 0.68874 0.58556 1.0000 + C C22 1.0 0.15197 0.77208 0.58556 1.0000 + C C23 1.0 0.15197 0.85541 0.58556 1.0000 + C C24 1.0 0.15197 0.93874 0.58556 1.0000 + C C25 1.0 0.23530 0.02208 0.58556 1.0000 + C C26 1.0 0.23530 0.10541 0.58556 1.0000 + C C27 1.0 0.23530 0.18874 0.58556 1.0000 + C C28 1.0 0.23530 0.27208 0.58556 1.0000 + C C29 1.0 0.23530 0.35541 0.58556 1.0000 + C C30 1.0 0.23530 0.43874 0.58556 1.0000 + C C31 1.0 0.23530 0.52208 0.58556 1.0000 + C C32 1.0 0.23530 0.60541 0.58556 1.0000 + C C33 1.0 0.23530 0.68874 0.58556 1.0000 + C C34 1.0 0.23530 0.77208 0.58556 1.0000 + C C35 1.0 0.23530 0.85541 0.58556 1.0000 + C C36 1.0 0.23530 0.93874 0.58556 1.0000 + C C37 1.0 0.31864 0.02208 0.58556 1.0000 + C C38 1.0 0.31864 0.10541 0.58556 1.0000 + C C39 1.0 0.31864 0.18874 0.58556 1.0000 + C C40 1.0 0.31864 0.27208 0.58556 1.0000 + C C41 1.0 0.31864 0.35541 0.58556 1.0000 + C C42 1.0 0.31864 0.43874 0.58556 1.0000 + C C43 1.0 0.31864 0.52208 0.58556 1.0000 + C C44 1.0 0.31864 0.60541 0.58556 1.0000 + C C45 1.0 0.31864 0.68874 0.58556 1.0000 + C C46 1.0 0.31864 0.77208 0.58556 1.0000 + C C47 1.0 0.31864 0.85541 0.58556 1.0000 + C C48 1.0 0.31864 0.93874 0.58556 1.0000 + C C49 1.0 0.40197 0.02208 0.58556 1.0000 + C C50 1.0 0.40197 0.10541 0.58556 1.0000 + C C51 1.0 0.40197 0.18874 0.58556 1.0000 + C C52 1.0 0.40197 0.27208 0.58556 1.0000 + C C53 1.0 0.40197 0.35541 0.58556 1.0000 + C C54 1.0 0.40197 0.43874 0.58556 1.0000 + C C55 1.0 0.40197 0.52208 0.58556 1.0000 + C C56 1.0 0.40197 0.60541 0.58556 1.0000 + C C57 1.0 0.40197 0.68874 0.58556 1.0000 + C C58 1.0 0.40197 0.77208 0.58556 1.0000 + C C59 1.0 0.40197 0.85541 0.58556 1.0000 + C C60 1.0 0.40197 0.93874 0.58556 1.0000 + C C61 1.0 0.48530 0.02208 0.58556 1.0000 + C C62 1.0 0.48530 0.10541 0.58556 1.0000 + C C63 1.0 0.48530 0.18874 0.58556 1.0000 + C C64 1.0 0.48530 0.27208 0.58556 1.0000 + C C65 1.0 0.48530 0.35541 0.58556 1.0000 + C C66 1.0 0.48530 0.43874 0.58556 1.0000 + C C67 1.0 0.48530 0.52208 0.58556 1.0000 + C C68 1.0 0.48530 0.60541 0.58556 1.0000 + C C69 1.0 0.48530 0.68874 0.58556 1.0000 + C C70 1.0 0.48530 0.77208 0.58556 1.0000 + C C71 1.0 0.48530 0.85541 0.58556 1.0000 + C C72 1.0 0.48530 0.93874 0.58556 1.0000 + C C73 1.0 0.56864 0.02208 0.58556 1.0000 + C C74 1.0 0.56864 0.10541 0.58556 1.0000 + C C75 1.0 0.56864 0.18874 0.58556 1.0000 + C C76 1.0 0.56864 0.27208 0.58556 1.0000 + C C77 1.0 0.56864 0.35541 0.58556 1.0000 + C C78 1.0 0.56864 0.43874 0.58556 1.0000 + C C79 1.0 0.56864 0.52208 0.58556 1.0000 + C C80 1.0 0.56864 0.60541 0.58556 1.0000 + C C81 1.0 0.56864 0.68874 0.58556 1.0000 + C C82 1.0 0.56864 0.77208 0.58556 1.0000 + C C83 1.0 0.56864 0.85541 0.58556 1.0000 + C C84 1.0 0.56864 0.93874 0.58556 1.0000 + C C85 1.0 0.65197 0.02208 0.58556 1.0000 + C C86 1.0 0.65197 0.10541 0.58556 1.0000 + C C87 1.0 0.65197 0.18874 0.58556 1.0000 + C C88 1.0 0.65197 0.27208 0.58556 1.0000 + C C89 1.0 0.65197 0.35541 0.58556 1.0000 + C C90 1.0 0.65197 0.43874 0.58556 1.0000 + C C91 1.0 0.65197 0.52208 0.58556 1.0000 + C C92 1.0 0.65197 0.60541 0.58556 1.0000 + C C93 1.0 0.65197 0.68874 0.58556 1.0000 + C C94 1.0 0.65197 0.77208 0.58556 1.0000 + C C95 1.0 0.65197 0.85541 0.58556 1.0000 + C C96 1.0 0.65197 0.93874 0.58556 1.0000 + C C97 1.0 0.73530 0.02208 0.58556 1.0000 + C C98 1.0 0.73530 0.10541 0.58556 1.0000 + C C99 1.0 0.73530 0.18874 0.58556 1.0000 + C C100 1.0 0.73530 0.27208 0.58556 1.0000 + C C101 1.0 0.73530 0.35541 0.58556 1.0000 + C C102 1.0 0.73530 0.43874 0.58556 1.0000 + C C103 1.0 0.73530 0.52208 0.58556 1.0000 + C C104 1.0 0.73530 0.60541 0.58556 1.0000 + C C105 1.0 0.73530 0.68874 0.58556 1.0000 + C C106 1.0 0.73530 0.77208 0.58556 1.0000 + C C107 1.0 0.73530 0.85541 0.58556 1.0000 + C C108 1.0 0.73530 0.93874 0.58556 1.0000 + C C109 1.0 0.81864 0.02208 0.58556 1.0000 + C C110 1.0 0.81864 0.10541 0.58556 1.0000 + C C111 1.0 0.81864 0.18874 0.58556 1.0000 + C C112 1.0 0.81864 0.27208 0.58556 1.0000 + C C113 1.0 0.81864 0.35541 0.58556 1.0000 + C C114 1.0 0.81864 0.43874 0.58556 1.0000 + C C115 1.0 0.81864 0.52208 0.58556 1.0000 + C C116 1.0 0.81864 0.60541 0.58556 1.0000 + C C117 1.0 0.81864 0.68874 0.58556 1.0000 + C C118 1.0 0.81864 0.77208 0.58556 1.0000 + C C119 1.0 0.81864 0.85541 0.58556 1.0000 + C C120 1.0 0.81864 0.93874 0.58556 1.0000 + C C121 1.0 0.90197 0.02208 0.58556 1.0000 + C C122 1.0 0.90197 0.10541 0.58556 1.0000 + C C123 1.0 0.90197 0.18874 0.58556 1.0000 + C C124 1.0 0.90197 0.27208 0.58556 1.0000 + C C125 1.0 0.90197 0.35541 0.58556 1.0000 + C C126 1.0 0.90197 0.43874 0.58556 1.0000 + C C127 1.0 0.90197 0.52208 0.58556 1.0000 + C C128 1.0 0.90197 0.60541 0.58556 1.0000 + C C129 1.0 0.90197 0.68874 0.58556 1.0000 + C C130 1.0 0.90197 0.77208 0.58556 1.0000 + C C131 1.0 0.90197 0.85541 0.58556 1.0000 + C C132 1.0 0.90197 0.93874 0.58556 1.0000 + C C133 1.0 0.98530 0.02208 0.58556 1.0000 + C C134 1.0 0.98530 0.10541 0.58556 1.0000 + C C135 1.0 0.98530 0.18874 0.58556 1.0000 + C C136 1.0 0.98530 0.27208 0.58556 1.0000 + C C137 1.0 0.98530 0.35541 0.58556 1.0000 + C C138 1.0 0.98530 0.43874 0.58556 1.0000 + C C139 1.0 0.98530 0.52208 0.58556 1.0000 + C C140 1.0 0.98530 0.60541 0.58556 1.0000 + C C141 1.0 0.98530 0.68874 0.58556 1.0000 + C C142 1.0 0.98530 0.77208 0.58556 1.0000 + C C143 1.0 0.98530 0.85541 0.58556 1.0000 + C C144 1.0 0.98530 0.93874 0.58556 1.0000 + C C145 1.0 0.05636 0.06374 0.41444 1.0000 + C C146 1.0 0.05636 0.14708 0.41444 1.0000 + C C147 1.0 0.05636 0.23041 0.41444 1.0000 + C C148 1.0 0.05636 0.31374 0.41444 1.0000 + C C149 1.0 0.05636 0.39708 0.41444 1.0000 + C C150 1.0 0.05636 0.48041 0.41444 1.0000 + C C151 1.0 0.05636 0.56374 0.41444 1.0000 + C C152 1.0 0.05636 0.64708 0.41444 1.0000 + C C153 1.0 0.05636 0.73041 0.41444 1.0000 + C C154 1.0 0.05636 0.81374 0.41444 1.0000 + C C155 1.0 0.05636 0.89708 0.41444 1.0000 + C C156 1.0 0.05636 0.98041 0.41444 1.0000 + C C157 1.0 0.13970 0.06374 0.41444 1.0000 + C C158 1.0 0.13970 0.14708 0.41444 1.0000 + C C159 1.0 0.13970 0.23041 0.41444 1.0000 + C C160 1.0 0.13970 0.31374 0.41444 1.0000 + C C161 1.0 0.13970 0.39708 0.41444 1.0000 + C C162 1.0 0.13970 0.48041 0.41444 1.0000 + C C163 1.0 0.13970 0.56374 0.41444 1.0000 + C C164 1.0 0.13970 0.64708 0.41444 1.0000 + C C165 1.0 0.13970 0.73041 0.41444 1.0000 + C C166 1.0 0.13970 0.81374 0.41444 1.0000 + C C167 1.0 0.13970 0.89708 0.41444 1.0000 + C C168 1.0 0.13970 0.98041 0.41444 1.0000 + C C169 1.0 0.22303 0.06374 0.41444 1.0000 + C C170 1.0 0.22303 0.14708 0.41444 1.0000 + C C171 1.0 0.22303 0.23041 0.41444 1.0000 + C C172 1.0 0.22303 0.31374 0.41444 1.0000 + C C173 1.0 0.22303 0.39708 0.41444 1.0000 + C C174 1.0 0.22303 0.48041 0.41444 1.0000 + C C175 1.0 0.22303 0.56374 0.41444 1.0000 + C C176 1.0 0.22303 0.64708 0.41444 1.0000 + C C177 1.0 0.22303 0.73041 0.41444 1.0000 + C C178 1.0 0.22303 0.81374 0.41444 1.0000 + C C179 1.0 0.22303 0.89708 0.41444 1.0000 + C C180 1.0 0.22303 0.98041 0.41444 1.0000 + C C181 1.0 0.30636 0.06374 0.41444 1.0000 + C C182 1.0 0.30636 0.14708 0.41444 1.0000 + C C183 1.0 0.30636 0.23041 0.41444 1.0000 + C C184 1.0 0.30636 0.31374 0.41444 1.0000 + C C185 1.0 0.30636 0.39708 0.41444 1.0000 + C C186 1.0 0.30636 0.48041 0.41444 1.0000 + C C187 1.0 0.30636 0.56374 0.41444 1.0000 + C C188 1.0 0.30636 0.64708 0.41444 1.0000 + C C189 1.0 0.30636 0.73041 0.41444 1.0000 + C C190 1.0 0.30636 0.81374 0.41444 1.0000 + C C191 1.0 0.30636 0.89708 0.41444 1.0000 + C C192 1.0 0.30636 0.98041 0.41444 1.0000 + C C193 1.0 0.38970 0.06374 0.41444 1.0000 + C C194 1.0 0.38970 0.14708 0.41444 1.0000 + C C195 1.0 0.38970 0.23041 0.41444 1.0000 + C C196 1.0 0.38970 0.31374 0.41444 1.0000 + C C197 1.0 0.38970 0.39708 0.41444 1.0000 + C C198 1.0 0.38970 0.48041 0.41444 1.0000 + C C199 1.0 0.38970 0.56374 0.41444 1.0000 + C C200 1.0 0.38970 0.64708 0.41444 1.0000 + C C201 1.0 0.38970 0.73041 0.41444 1.0000 + C C202 1.0 0.38970 0.81374 0.41444 1.0000 + C C203 1.0 0.38970 0.89708 0.41444 1.0000 + C C204 1.0 0.38970 0.98041 0.41444 1.0000 + C C205 1.0 0.47303 0.06374 0.41444 1.0000 + C C206 1.0 0.47303 0.14708 0.41444 1.0000 + C C207 1.0 0.47303 0.23041 0.41444 1.0000 + C C208 1.0 0.47303 0.31374 0.41444 1.0000 + C C209 1.0 0.47303 0.39708 0.41444 1.0000 + C C210 1.0 0.47303 0.48041 0.41444 1.0000 + C C211 1.0 0.47303 0.56374 0.41444 1.0000 + C C212 1.0 0.47303 0.64708 0.41444 1.0000 + C C213 1.0 0.47303 0.73041 0.41444 1.0000 + C C214 1.0 0.47303 0.81374 0.41444 1.0000 + C C215 1.0 0.47303 0.89708 0.41444 1.0000 + C C216 1.0 0.47303 0.98041 0.41444 1.0000 + C C217 1.0 0.55636 0.06374 0.41444 1.0000 + C C218 1.0 0.55636 0.14708 0.41444 1.0000 + C C219 1.0 0.55636 0.23041 0.41444 1.0000 + C C220 1.0 0.55636 0.31374 0.41444 1.0000 + C C221 1.0 0.55636 0.39708 0.41444 1.0000 + C C222 1.0 0.55636 0.48041 0.41444 1.0000 + C C223 1.0 0.55636 0.56374 0.41444 1.0000 + C C224 1.0 0.55636 0.64708 0.41444 1.0000 + C C225 1.0 0.55636 0.73041 0.41444 1.0000 + C C226 1.0 0.55636 0.81374 0.41444 1.0000 + C C227 1.0 0.55636 0.89708 0.41444 1.0000 + C C228 1.0 0.55636 0.98041 0.41444 1.0000 + C C229 1.0 0.63970 0.06374 0.41444 1.0000 + C C230 1.0 0.63970 0.14708 0.41444 1.0000 + C C231 1.0 0.63970 0.23041 0.41444 1.0000 + C C232 1.0 0.63970 0.31374 0.41444 1.0000 + C C233 1.0 0.63970 0.39708 0.41444 1.0000 + C C234 1.0 0.63970 0.48041 0.41444 1.0000 + C C235 1.0 0.63970 0.56374 0.41444 1.0000 + C C236 1.0 0.63970 0.64708 0.41444 1.0000 + C C237 1.0 0.63970 0.73041 0.41444 1.0000 + C C238 1.0 0.63970 0.81374 0.41444 1.0000 + C C239 1.0 0.63970 0.89708 0.41444 1.0000 + C C240 1.0 0.63970 0.98041 0.41444 1.0000 + C C241 1.0 0.72303 0.06374 0.41444 1.0000 + C C242 1.0 0.72303 0.14708 0.41444 1.0000 + C C243 1.0 0.72303 0.23041 0.41444 1.0000 + C C244 1.0 0.72303 0.31374 0.41444 1.0000 + C C245 1.0 0.72303 0.39708 0.41444 1.0000 + C C246 1.0 0.72303 0.48041 0.41444 1.0000 + C C247 1.0 0.72303 0.56374 0.41444 1.0000 + C C248 1.0 0.72303 0.64708 0.41444 1.0000 + C C249 1.0 0.72303 0.73041 0.41444 1.0000 + C C250 1.0 0.72303 0.81374 0.41444 1.0000 + C C251 1.0 0.72303 0.89708 0.41444 1.0000 + C C252 1.0 0.72303 0.98041 0.41444 1.0000 + C C253 1.0 0.80636 0.06374 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Sb Sb230 1.0 0.88889 0.25000 0.50000 1.0000 + Sb Sb231 1.0 0.93056 0.29167 0.50000 1.0000 + Sb Sb232 1.0 0.97222 0.33333 0.50000 1.0000 + Sb Sb233 1.0 0.01389 0.37500 0.50000 1.0000 + Sb Sb234 1.0 0.05556 0.41667 0.50000 1.0000 + Sb Sb235 1.0 0.09722 0.45833 0.50000 1.0000 + Sb Sb236 1.0 0.13889 0.50000 0.50000 1.0000 + Sb Sb237 1.0 0.18056 0.54167 0.50000 1.0000 + Sb Sb238 1.0 0.22222 0.58333 0.50000 1.0000 + Sb Sb239 1.0 0.26389 0.62500 0.50000 1.0000 + Sb Sb240 1.0 0.30556 0.66667 0.50000 1.0000 + Sb Sb241 1.0 0.88889 0.16667 0.50000 1.0000 + Sb Sb242 1.0 0.93056 0.20833 0.50000 1.0000 + Sb Sb243 1.0 0.97222 0.25000 0.50000 1.0000 + Sb Sb244 1.0 0.01389 0.29167 0.50000 1.0000 + Sb Sb245 1.0 0.05556 0.33333 0.50000 1.0000 + Sb Sb246 1.0 0.09722 0.37500 0.50000 1.0000 + Sb Sb247 1.0 0.13889 0.41667 0.50000 1.0000 + Sb Sb248 1.0 0.18056 0.45833 0.50000 1.0000 + Sb Sb249 1.0 0.22222 0.50000 0.50000 1.0000 + Sb Sb250 1.0 0.26389 0.54167 0.50000 1.0000 + Sb Sb251 1.0 0.30556 0.58333 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0.30556 0.41667 0.50000 1.0000 + Sb Sb274 1.0 0.34722 0.45833 0.50000 1.0000 + Sb Sb275 1.0 0.38889 0.50000 0.50000 1.0000 + Sb Sb276 1.0 0.43056 0.54167 0.50000 1.0000 + Sb Sb277 1.0 0.01389 0.04167 0.50000 1.0000 + Sb Sb278 1.0 0.05556 0.08333 0.50000 1.0000 + Sb Sb279 1.0 0.09722 0.12500 0.50000 1.0000 + Sb Sb280 1.0 0.13889 0.16667 0.50000 1.0000 + Sb Sb281 1.0 0.18056 0.20833 0.50000 1.0000 + Sb Sb282 1.0 0.22222 0.25000 0.50000 1.0000 + Sb Sb283 1.0 0.26389 0.29167 0.50000 1.0000 + Sb Sb284 1.0 0.30556 0.33333 0.50000 1.0000 + Sb Sb285 1.0 0.34722 0.37500 0.50000 1.0000 + Sb Sb286 1.0 0.38889 0.41667 0.50000 1.0000 + Sb Sb287 1.0 0.43056 0.45833 0.50000 1.0000 + Sb Sb288 1.0 0.47222 0.50000 0.50000 1.0000 + O O1153 1.0 0.54852 0.52112 0.33394 1.0000 + O O1154 1.0 0.59018 0.56278 0.33394 1.0000 + O O1155 1.0 0.63185 0.60445 0.33394 1.0000 + O O1156 1.0 0.67352 0.64612 0.33394 1.0000 + O O1157 1.0 0.71518 0.68778 0.33394 1.0000 + O O1158 1.0 0.75685 0.72945 0.33394 1.0000 + O O1159 1.0 0.79852 0.77112 0.33394 1.0000 + O O1160 1.0 0.84018 0.81278 0.33394 1.0000 + O O1161 1.0 0.88185 0.85445 0.33394 1.0000 + O O1162 1.0 0.92352 0.89612 0.33394 1.0000 + O O1163 1.0 0.96518 0.93778 0.33394 1.0000 + O O1164 1.0 0.00685 0.97945 0.33394 1.0000 + O O1165 1.0 0.59018 0.47945 0.33394 1.0000 + O O1166 1.0 0.63185 0.52112 0.33394 1.0000 + O O1167 1.0 0.67352 0.56278 0.33394 1.0000 + O O1168 1.0 0.71518 0.60445 0.33394 1.0000 + O O1169 1.0 0.75685 0.64612 0.33394 1.0000 + O O1170 1.0 0.79852 0.68778 0.33394 1.0000 + O O1171 1.0 0.84018 0.72945 0.33394 1.0000 + O O1172 1.0 0.88185 0.77112 0.33394 1.0000 + O O1173 1.0 0.92352 0.81278 0.33394 1.0000 + O O1174 1.0 0.96518 0.85445 0.33394 1.0000 + O O1175 1.0 0.00685 0.89612 0.33394 1.0000 + O O1176 1.0 0.04852 0.93778 0.33394 1.0000 + O O1177 1.0 0.63185 0.43778 0.33394 1.0000 + O O1178 1.0 0.67352 0.47945 0.33394 1.0000 + O O1179 1.0 0.71518 0.52112 0.33394 1.0000 + O O1180 1.0 0.75685 0.56278 0.33394 1.0000 + O O1181 1.0 0.79852 0.60445 0.33394 1.0000 + O O1182 1.0 0.84018 0.64612 0.33394 1.0000 + O O1183 1.0 0.88185 0.68778 0.33394 1.0000 + O O1184 1.0 0.92352 0.72945 0.33394 1.0000 + O O1185 1.0 0.96518 0.77112 0.33394 1.0000 + O O1186 1.0 0.00685 0.81278 0.33394 1.0000 + O O1187 1.0 0.04852 0.85445 0.33394 1.0000 + O O1188 1.0 0.09018 0.89612 0.33394 1.0000 + O O1189 1.0 0.67352 0.39612 0.33394 1.0000 + O O1190 1.0 0.71518 0.43778 0.33394 1.0000 + O O1191 1.0 0.75685 0.47945 0.33394 1.0000 + O O1192 1.0 0.79852 0.52112 0.33394 1.0000 + O O1193 1.0 0.84018 0.56278 0.33394 1.0000 + O O1194 1.0 0.88185 0.60445 0.33394 1.0000 + O O1195 1.0 0.92352 0.64612 0.33394 1.0000 + O O1196 1.0 0.96518 0.68778 0.33394 1.0000 + O O1197 1.0 0.00685 0.72945 0.33394 1.0000 + O O1198 1.0 0.04852 0.77112 0.33394 1.0000 + O O1199 1.0 0.09018 0.81278 0.33394 1.0000 + O O1200 1.0 0.13185 0.85445 0.33394 1.0000 + O O1201 1.0 0.71518 0.35445 0.33394 1.0000 + O O1202 1.0 0.75685 0.39612 0.33394 1.0000 + O O1203 1.0 0.79852 0.43778 0.33394 1.0000 + O O1204 1.0 0.84018 0.47945 0.33394 1.0000 + O O1205 1.0 0.88185 0.52112 0.33394 1.0000 + O O1206 1.0 0.92352 0.56278 0.33394 1.0000 + O O1207 1.0 0.96518 0.60445 0.33394 1.0000 + O O1208 1.0 0.00685 0.64612 0.33394 1.0000 + O O1209 1.0 0.04852 0.68778 0.33394 1.0000 + O O1210 1.0 0.09018 0.72945 0.33394 1.0000 + O O1211 1.0 0.13185 0.77112 0.33394 1.0000 + O O1212 1.0 0.17352 0.81278 0.33394 1.0000 + O O1213 1.0 0.75685 0.31278 0.33394 1.0000 + O O1214 1.0 0.79852 0.35445 0.33394 1.0000 + O O1215 1.0 0.84018 0.39612 0.33394 1.0000 + O O1216 1.0 0.88185 0.43778 0.33394 1.0000 + O O1217 1.0 0.92352 0.47945 0.33394 1.0000 + O O1218 1.0 0.96518 0.52112 0.33394 1.0000 + O O1219 1.0 0.00685 0.56278 0.33394 1.0000 + O O1220 1.0 0.04852 0.60445 0.33394 1.0000 + O O1221 1.0 0.09018 0.64612 0.33394 1.0000 + O O1222 1.0 0.13185 0.68778 0.33394 1.0000 + O O1223 1.0 0.17352 0.72945 0.33394 1.0000 + O O1224 1.0 0.21518 0.77112 0.33394 1.0000 + O O1225 1.0 0.79852 0.27112 0.33394 1.0000 + O O1226 1.0 0.84018 0.31278 0.33394 1.0000 + O O1227 1.0 0.88185 0.35445 0.33394 1.0000 + O O1228 1.0 0.92352 0.39612 0.33394 1.0000 + O O1229 1.0 0.96518 0.43778 0.33394 1.0000 + O O1230 1.0 0.00685 0.47945 0.33394 1.0000 + O O1231 1.0 0.04852 0.52112 0.33394 1.0000 + O O1232 1.0 0.09018 0.56278 0.33394 1.0000 + O O1233 1.0 0.13185 0.60445 0.33394 1.0000 + O O1234 1.0 0.17352 0.64612 0.33394 1.0000 + O O1235 1.0 0.21518 0.68778 0.33394 1.0000 + O O1236 1.0 0.25685 0.72945 0.33394 1.0000 + O O1237 1.0 0.84018 0.22945 0.33394 1.0000 + O O1238 1.0 0.88185 0.27112 0.33394 1.0000 + O O1239 1.0 0.92352 0.31278 0.33394 1.0000 + O O1240 1.0 0.96518 0.35445 0.33394 1.0000 + O O1241 1.0 0.00685 0.39612 0.33394 1.0000 + O O1242 1.0 0.04852 0.43778 0.33394 1.0000 + O O1243 1.0 0.09018 0.47945 0.33394 1.0000 + O O1244 1.0 0.13185 0.52112 0.33394 1.0000 + O O1245 1.0 0.17352 0.56278 0.33394 1.0000 + O O1246 1.0 0.21518 0.60445 0.33394 1.0000 + O O1247 1.0 0.25685 0.64612 0.33394 1.0000 + O O1248 1.0 0.29852 0.68778 0.33394 1.0000 + O O1249 1.0 0.88185 0.18778 0.33394 1.0000 + O O1250 1.0 0.92352 0.22945 0.33394 1.0000 + O O1251 1.0 0.96518 0.27112 0.33394 1.0000 + O O1252 1.0 0.00685 0.31278 0.33394 1.0000 + O O1253 1.0 0.04852 0.35445 0.33394 1.0000 + O O1254 1.0 0.09018 0.39612 0.33394 1.0000 + O O1255 1.0 0.13185 0.43778 0.33394 1.0000 + O O1256 1.0 0.17352 0.47945 0.33394 1.0000 + O O1257 1.0 0.21518 0.52112 0.33394 1.0000 + O O1258 1.0 0.25685 0.56278 0.33394 1.0000 + O O1259 1.0 0.29852 0.60445 0.33394 1.0000 + O O1260 1.0 0.34018 0.64612 0.33394 1.0000 + O O1261 1.0 0.92352 0.14612 0.33394 1.0000 + O O1262 1.0 0.96518 0.18778 0.33394 1.0000 + O O1263 1.0 0.00685 0.22945 0.33394 1.0000 + O O1264 1.0 0.04852 0.27112 0.33394 1.0000 + O O1265 1.0 0.09018 0.31278 0.33394 1.0000 + O O1266 1.0 0.13185 0.35445 0.33394 1.0000 + O O1267 1.0 0.17352 0.39612 0.33394 1.0000 + O O1268 1.0 0.21518 0.43778 0.33394 1.0000 + O O1269 1.0 0.25685 0.47945 0.33394 1.0000 + O O1270 1.0 0.29852 0.52112 0.33394 1.0000 + O O1271 1.0 0.34018 0.56278 0.33394 1.0000 + O O1272 1.0 0.38185 0.60445 0.33394 1.0000 + O O1273 1.0 0.96518 0.10445 0.33394 1.0000 + O O1274 1.0 0.00685 0.14612 0.33394 1.0000 + O O1275 1.0 0.04852 0.18778 0.33394 1.0000 + O O1276 1.0 0.09018 0.22945 0.33394 1.0000 + O O1277 1.0 0.13185 0.27112 0.33394 1.0000 + O O1278 1.0 0.17352 0.31278 0.33394 1.0000 + O O1279 1.0 0.21518 0.35445 0.33394 1.0000 + O O1280 1.0 0.25685 0.39612 0.33394 1.0000 + O O1281 1.0 0.29852 0.43778 0.33394 1.0000 + O O1282 1.0 0.34018 0.47945 0.33394 1.0000 + O O1283 1.0 0.38185 0.52112 0.33394 1.0000 + O O1284 1.0 0.42352 0.56278 0.33394 1.0000 + O O1285 1.0 0.00685 0.06278 0.33394 1.0000 + O O1286 1.0 0.04852 0.10445 0.33394 1.0000 + O O1287 1.0 0.09018 0.14612 0.33394 1.0000 + O O1288 1.0 0.13185 0.18778 0.33394 1.0000 + O O1289 1.0 0.17352 0.22945 0.33394 1.0000 + O O1290 1.0 0.21518 0.27112 0.33394 1.0000 + O O1291 1.0 0.25685 0.31278 0.33394 1.0000 + O O1292 1.0 0.29852 0.35445 0.33394 1.0000 + O O1293 1.0 0.34018 0.39612 0.33394 1.0000 + O O1294 1.0 0.38185 0.43778 0.33394 1.0000 + O O1295 1.0 0.42352 0.47945 0.33394 1.0000 + O O1296 1.0 0.46518 0.52112 0.33394 1.0000 + O O1297 1.0 0.54852 0.47888 0.33394 1.0000 + O O1298 1.0 0.59018 0.52055 0.33394 1.0000 + O O1299 1.0 0.63185 0.56222 0.33394 1.0000 + O O1300 1.0 0.67352 0.60388 0.33394 1.0000 + O O1301 1.0 0.71518 0.64555 0.33394 1.0000 + O O1302 1.0 0.75685 0.68722 0.33394 1.0000 + O O1303 1.0 0.79852 0.72888 0.33394 1.0000 + O O1304 1.0 0.84018 0.77055 0.33394 1.0000 + O O1305 1.0 0.88185 0.81222 0.33394 1.0000 + O O1306 1.0 0.92352 0.85388 0.33394 1.0000 + O O1307 1.0 0.96518 0.89555 0.33394 1.0000 + O O1308 1.0 0.00685 0.93722 0.33394 1.0000 + O O1309 1.0 0.59018 0.43722 0.33394 1.0000 + O O1310 1.0 0.63185 0.47888 0.33394 1.0000 + O O1311 1.0 0.67352 0.52055 0.33394 1.0000 + O O1312 1.0 0.71518 0.56222 0.33394 1.0000 + O O1313 1.0 0.75685 0.60388 0.33394 1.0000 + O O1314 1.0 0.79852 0.64555 0.33394 1.0000 + O O1315 1.0 0.84018 0.68722 0.33394 1.0000 + O O1316 1.0 0.88185 0.72888 0.33394 1.0000 + O O1317 1.0 0.92352 0.77055 0.33394 1.0000 + O O1318 1.0 0.96518 0.81222 0.33394 1.0000 + O O1319 1.0 0.00685 0.85388 0.33394 1.0000 + O O1320 1.0 0.04852 0.89555 0.33394 1.0000 + O O1321 1.0 0.63185 0.39555 0.33394 1.0000 + O O1322 1.0 0.67352 0.43722 0.33394 1.0000 + O O1323 1.0 0.71518 0.47888 0.33394 1.0000 + O O1324 1.0 0.75685 0.52055 0.33394 1.0000 + O O1325 1.0 0.79852 0.56222 0.33394 1.0000 + O O1326 1.0 0.84018 0.60388 0.33394 1.0000 + O O1327 1.0 0.88185 0.64555 0.33394 1.0000 + O O1328 1.0 0.92352 0.68722 0.33394 1.0000 + O O1329 1.0 0.96518 0.72888 0.33394 1.0000 + O O1330 1.0 0.00685 0.77055 0.33394 1.0000 + O O1331 1.0 0.04852 0.81222 0.33394 1.0000 + O O1332 1.0 0.09018 0.85388 0.33394 1.0000 + O O1333 1.0 0.67352 0.35388 0.33394 1.0000 + O O1334 1.0 0.71518 0.39555 0.33394 1.0000 + O O1335 1.0 0.75685 0.43722 0.33394 1.0000 + O O1336 1.0 0.79852 0.47888 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1.0000 + O O1359 1.0 0.84018 0.35388 0.33394 1.0000 + O O1360 1.0 0.88185 0.39555 0.33394 1.0000 + O O1361 1.0 0.92352 0.43722 0.33394 1.0000 + O O1362 1.0 0.96518 0.47888 0.33394 1.0000 + O O1363 1.0 0.00685 0.52055 0.33394 1.0000 + O O1364 1.0 0.04852 0.56222 0.33394 1.0000 + O O1365 1.0 0.09018 0.60388 0.33394 1.0000 + O O1366 1.0 0.13185 0.64555 0.33394 1.0000 + O O1367 1.0 0.17352 0.68722 0.33394 1.0000 + O O1368 1.0 0.21518 0.72888 0.33394 1.0000 + O O1369 1.0 0.79852 0.22888 0.33394 1.0000 + O O1370 1.0 0.84018 0.27055 0.33394 1.0000 + O O1371 1.0 0.88185 0.31222 0.33394 1.0000 + O O1372 1.0 0.92352 0.35388 0.33394 1.0000 + O O1373 1.0 0.96518 0.39555 0.33394 1.0000 + O O1374 1.0 0.00685 0.43722 0.33394 1.0000 + O O1375 1.0 0.04852 0.47888 0.33394 1.0000 + O O1376 1.0 0.09018 0.52055 0.33394 1.0000 + O O1377 1.0 0.13185 0.56222 0.33394 1.0000 + O O1378 1.0 0.17352 0.60388 0.33394 1.0000 + O O1379 1.0 0.21518 0.64555 0.33394 1.0000 + O O1380 1.0 0.25685 0.68722 0.33394 1.0000 + O 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Li288Mn144F864Li288Mn144F864 +_chemical_formula_sum "Li576 Mn288 F1728" +_cell_length_a 119.993 +_cell_length_b 69.2712 +_cell_length_c 6.13252 +_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 0.01387 0.04167 0.32613 1.0000 + Li Li2 1.0 0.97221 0.08333 0.32613 1.0000 + Li Li3 1.0 0.93054 0.12500 0.32613 1.0000 + Li Li4 1.0 0.88887 0.16667 0.32613 1.0000 + Li Li5 1.0 0.84721 0.20833 0.32613 1.0000 + Li Li6 1.0 0.80554 0.25000 0.32613 1.0000 + Li Li7 1.0 0.76387 0.29167 0.32613 1.0000 + Li Li8 1.0 0.72221 0.33333 0.32613 1.0000 + Li Li9 1.0 0.68054 0.37500 0.32613 1.0000 + Li Li10 1.0 0.63887 0.41667 0.32613 1.0000 + Li Li11 1.0 0.59721 0.45833 0.32613 1.0000 + Li Li12 1.0 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0.02775 0.83333 0.67387 1.0000 + Li Li275 1.0 0.98609 0.87500 0.67387 1.0000 + Li Li276 1.0 0.94442 0.91667 0.67387 1.0000 + Li Li277 1.0 0.44442 0.50000 0.67387 1.0000 + Li Li278 1.0 0.40275 0.54167 0.67387 1.0000 + Li Li279 1.0 0.36109 0.58333 0.67387 1.0000 + Li Li280 1.0 0.31942 0.62500 0.67387 1.0000 + Li Li281 1.0 0.27775 0.66667 0.67387 1.0000 + Li Li282 1.0 0.23609 0.70833 0.67387 1.0000 + Li Li283 1.0 0.19442 0.75000 0.67387 1.0000 + Li Li284 1.0 0.15275 0.79167 0.67387 1.0000 + Li Li285 1.0 0.11109 0.83333 0.67387 1.0000 + Li Li286 1.0 0.06942 0.87500 0.67387 1.0000 + Li Li287 1.0 0.02775 0.91667 0.67387 1.0000 + Li Li288 1.0 0.98609 0.95833 0.67387 1.0000 + Mn Mn1 1.0 0.04165 0.04168 0.50000 1.0000 + Mn Mn2 1.0 0.99998 0.08334 0.50000 1.0000 + Mn Mn3 1.0 0.95831 0.12501 0.50000 1.0000 + Mn Mn4 1.0 0.91665 0.16668 0.50000 1.0000 + Mn Mn5 1.0 0.87498 0.20834 0.50000 1.0000 + Mn Mn6 1.0 0.83331 0.25001 0.50000 1.0000 + Mn Mn7 1.0 0.79165 0.29168 0.50000 1.0000 + Mn Mn8 1.0 0.74998 0.33334 0.50000 1.0000 + Mn Mn9 1.0 0.70831 0.37501 0.50000 1.0000 + Mn Mn10 1.0 0.66665 0.41668 0.50000 1.0000 + Mn Mn11 1.0 0.62498 0.45834 0.50000 1.0000 + Mn Mn12 1.0 0.58331 0.50001 0.50000 1.0000 + Mn Mn13 1.0 0.08331 0.08334 0.50000 1.0000 + Mn Mn14 1.0 0.04165 0.12501 0.50000 1.0000 + Mn Mn15 1.0 0.99998 0.16668 0.50000 1.0000 + Mn Mn16 1.0 0.95831 0.20834 0.50000 1.0000 + Mn Mn17 1.0 0.91665 0.25001 0.50000 1.0000 + Mn Mn18 1.0 0.87498 0.29168 0.50000 1.0000 + Mn Mn19 1.0 0.83331 0.33334 0.50000 1.0000 + Mn Mn20 1.0 0.79165 0.37501 0.50000 1.0000 + Mn Mn21 1.0 0.74998 0.41668 0.50000 1.0000 + Mn Mn22 1.0 0.70831 0.45834 0.50000 1.0000 + Mn Mn23 1.0 0.66665 0.50001 0.50000 1.0000 + Mn Mn24 1.0 0.62498 0.54168 0.50000 1.0000 + Mn Mn25 1.0 0.12498 0.12501 0.50000 1.0000 + Mn Mn26 1.0 0.08331 0.16668 0.50000 1.0000 + Mn Mn27 1.0 0.04165 0.20834 0.50000 1.0000 + Mn Mn28 1.0 0.99998 0.25001 0.50000 1.0000 + Mn Mn29 1.0 0.95831 0.29168 0.50000 1.0000 + Mn Mn30 1.0 0.91665 0.33334 0.50000 1.0000 + Mn Mn31 1.0 0.87498 0.37501 0.50000 1.0000 + Mn Mn32 1.0 0.83331 0.41668 0.50000 1.0000 + Mn Mn33 1.0 0.79165 0.45834 0.50000 1.0000 + Mn Mn34 1.0 0.74998 0.50001 0.50000 1.0000 + Mn Mn35 1.0 0.70831 0.54168 0.50000 1.0000 + Mn Mn36 1.0 0.66665 0.58334 0.50000 1.0000 + Mn Mn37 1.0 0.16665 0.16668 0.50000 1.0000 + Mn Mn38 1.0 0.12498 0.20834 0.50000 1.0000 + Mn Mn39 1.0 0.08331 0.25001 0.50000 1.0000 + Mn Mn40 1.0 0.04165 0.29168 0.50000 1.0000 + Mn Mn41 1.0 0.99998 0.33334 0.50000 1.0000 + Mn Mn42 1.0 0.95831 0.37501 0.50000 1.0000 + Mn Mn43 1.0 0.91665 0.41668 0.50000 1.0000 + Mn Mn44 1.0 0.87498 0.45834 0.50000 1.0000 + Mn Mn45 1.0 0.83331 0.50001 0.50000 1.0000 + Mn Mn46 1.0 0.79165 0.54168 0.50000 1.0000 + Mn Mn47 1.0 0.74998 0.58334 0.50000 1.0000 + Mn Mn48 1.0 0.70831 0.62501 0.50000 1.0000 + Mn Mn49 1.0 0.20831 0.20834 0.50000 1.0000 + Mn Mn50 1.0 0.16665 0.25001 0.50000 1.0000 + Mn Mn51 1.0 0.12498 0.29168 0.50000 1.0000 + Mn Mn52 1.0 0.08331 0.33334 0.50000 1.0000 + Mn Mn53 1.0 0.04165 0.37501 0.50000 1.0000 + Mn Mn54 1.0 0.99998 0.41668 0.50000 1.0000 + Mn Mn55 1.0 0.95831 0.45834 0.50000 1.0000 + Mn Mn56 1.0 0.91665 0.50001 0.50000 1.0000 + Mn Mn57 1.0 0.87498 0.54168 0.50000 1.0000 + Mn Mn58 1.0 0.83331 0.58334 0.50000 1.0000 + Mn Mn59 1.0 0.79165 0.62501 0.50000 1.0000 + Mn Mn60 1.0 0.74998 0.66668 0.50000 1.0000 + Mn Mn61 1.0 0.24998 0.25001 0.50000 1.0000 + Mn Mn62 1.0 0.20831 0.29168 0.50000 1.0000 + Mn Mn63 1.0 0.16665 0.33334 0.50000 1.0000 + Mn Mn64 1.0 0.12498 0.37501 0.50000 1.0000 + Mn Mn65 1.0 0.08331 0.41668 0.50000 1.0000 + Mn Mn66 1.0 0.04165 0.45834 0.50000 1.0000 + Mn Mn67 1.0 0.99998 0.50001 0.50000 1.0000 + Mn Mn68 1.0 0.95831 0.54168 0.50000 1.0000 + Mn Mn69 1.0 0.91665 0.58334 0.50000 1.0000 + Mn Mn70 1.0 0.87498 0.62501 0.50000 1.0000 + Mn Mn71 1.0 0.83331 0.66668 0.50000 1.0000 + Mn Mn72 1.0 0.79165 0.70834 0.50000 1.0000 + Mn Mn73 1.0 0.29165 0.29168 0.50000 1.0000 + Mn Mn74 1.0 0.24998 0.33334 0.50000 1.0000 + Mn Mn75 1.0 0.20831 0.37501 0.50000 1.0000 + Mn Mn76 1.0 0.16665 0.41668 0.50000 1.0000 + Mn Mn77 1.0 0.12498 0.45834 0.50000 1.0000 + Mn Mn78 1.0 0.08331 0.50001 0.50000 1.0000 + Mn Mn79 1.0 0.04165 0.54168 0.50000 1.0000 + Mn Mn80 1.0 0.99998 0.58334 0.50000 1.0000 + Mn Mn81 1.0 0.95831 0.62501 0.50000 1.0000 + Mn Mn82 1.0 0.91665 0.66668 0.50000 1.0000 + Mn Mn83 1.0 0.87498 0.70834 0.50000 1.0000 + Mn Mn84 1.0 0.83331 0.75001 0.50000 1.0000 + Mn Mn85 1.0 0.33331 0.33334 0.50000 1.0000 + Mn Mn86 1.0 0.29165 0.37501 0.50000 1.0000 + Mn Mn87 1.0 0.24998 0.41668 0.50000 1.0000 + Mn Mn88 1.0 0.20831 0.45834 0.50000 1.0000 + Mn Mn89 1.0 0.16665 0.50001 0.50000 1.0000 + Mn Mn90 1.0 0.12498 0.54168 0.50000 1.0000 + Mn Mn91 1.0 0.08331 0.58334 0.50000 1.0000 + Mn Mn92 1.0 0.04165 0.62501 0.50000 1.0000 + Mn Mn93 1.0 0.99998 0.66668 0.50000 1.0000 + Mn Mn94 1.0 0.95831 0.70834 0.50000 1.0000 + Mn Mn95 1.0 0.91665 0.75001 0.50000 1.0000 + Mn Mn96 1.0 0.87498 0.79168 0.50000 1.0000 + Mn Mn97 1.0 0.37498 0.37501 0.50000 1.0000 + Mn Mn98 1.0 0.33331 0.41668 0.50000 1.0000 + Mn Mn99 1.0 0.29165 0.45834 0.50000 1.0000 + Mn Mn100 1.0 0.24998 0.50001 0.50000 1.0000 + Mn Mn101 1.0 0.20831 0.54168 0.50000 1.0000 + Mn Mn102 1.0 0.16665 0.58334 0.50000 1.0000 + Mn Mn103 1.0 0.12498 0.62501 0.50000 1.0000 + Mn Mn104 1.0 0.08331 0.66668 0.50000 1.0000 + Mn Mn105 1.0 0.04165 0.70834 0.50000 1.0000 + Mn Mn106 1.0 0.99998 0.75001 0.50000 1.0000 + Mn Mn107 1.0 0.95831 0.79168 0.50000 1.0000 + Mn Mn108 1.0 0.91665 0.83334 0.50000 1.0000 + Mn Mn109 1.0 0.41665 0.41668 0.50000 1.0000 + Mn Mn110 1.0 0.37498 0.45834 0.50000 1.0000 + Mn Mn111 1.0 0.33331 0.50001 0.50000 1.0000 + Mn Mn112 1.0 0.29165 0.54168 0.50000 1.0000 + Mn Mn113 1.0 0.24998 0.58334 0.50000 1.0000 + Mn Mn114 1.0 0.20831 0.62501 0.50000 1.0000 + Mn Mn115 1.0 0.16665 0.66668 0.50000 1.0000 + Mn Mn116 1.0 0.12498 0.70834 0.50000 1.0000 + Mn Mn117 1.0 0.08331 0.75001 0.50000 1.0000 + Mn Mn118 1.0 0.04165 0.79168 0.50000 1.0000 + Mn Mn119 1.0 0.99998 0.83334 0.50000 1.0000 + Mn Mn120 1.0 0.95831 0.87501 0.50000 1.0000 + Mn Mn121 1.0 0.45831 0.45834 0.50000 1.0000 + Mn Mn122 1.0 0.41665 0.50001 0.50000 1.0000 + Mn Mn123 1.0 0.37498 0.54168 0.50000 1.0000 + Mn Mn124 1.0 0.33331 0.58334 0.50000 1.0000 + Mn Mn125 1.0 0.29165 0.62501 0.50000 1.0000 + Mn Mn126 1.0 0.24998 0.66668 0.50000 1.0000 + Mn Mn127 1.0 0.20831 0.70834 0.50000 1.0000 + Mn Mn128 1.0 0.16665 0.75001 0.50000 1.0000 + Mn Mn129 1.0 0.12498 0.79168 0.50000 1.0000 + Mn Mn130 1.0 0.08331 0.83334 0.50000 1.0000 + Mn Mn131 1.0 0.04165 0.87501 0.50000 1.0000 + Mn Mn132 1.0 0.99998 0.91668 0.50000 1.0000 + Mn Mn133 1.0 0.49998 0.50001 0.50000 1.0000 + Mn Mn134 1.0 0.45831 0.54168 0.50000 1.0000 + Mn Mn135 1.0 0.41665 0.58334 0.50000 1.0000 + Mn Mn136 1.0 0.37498 0.62501 0.50000 1.0000 + Mn Mn137 1.0 0.33331 0.66668 0.50000 1.0000 + Mn Mn138 1.0 0.29165 0.70834 0.50000 1.0000 + Mn Mn139 1.0 0.24998 0.75001 0.50000 1.0000 + Mn Mn140 1.0 0.20831 0.79168 0.50000 1.0000 + Mn Mn141 1.0 0.16665 0.83334 0.50000 1.0000 + Mn Mn142 1.0 0.12498 0.87501 0.50000 1.0000 + Mn Mn143 1.0 0.08331 0.91668 0.50000 1.0000 + Mn Mn144 1.0 0.04165 0.95834 0.50000 1.0000 + F F1 1.0 0.00625 0.06452 0.32794 1.0000 + F F2 1.0 0.96459 0.10619 0.32794 1.0000 + F F3 1.0 0.92292 0.14785 0.32794 1.0000 + F F4 1.0 0.88125 0.18952 0.32794 1.0000 + F F5 1.0 0.83959 0.23119 0.32794 1.0000 + F F6 1.0 0.79792 0.27285 0.32794 1.0000 + F F7 1.0 0.75625 0.31452 0.32794 1.0000 + F F8 1.0 0.71459 0.35619 0.32794 1.0000 + F F9 1.0 0.67292 0.39785 0.32794 1.0000 + F F10 1.0 0.63125 0.43952 0.32794 1.0000 + F F11 1.0 0.58959 0.48119 0.32794 1.0000 + F F12 1.0 0.54792 0.52285 0.32794 1.0000 + F F13 1.0 0.04792 0.10619 0.32794 1.0000 + F F14 1.0 0.00625 0.14785 0.32794 1.0000 + F F15 1.0 0.96459 0.18952 0.32794 1.0000 + F F16 1.0 0.92292 0.23119 0.32794 1.0000 + F F17 1.0 0.88125 0.27285 0.32794 1.0000 + F F18 1.0 0.83959 0.31452 0.32794 1.0000 + F F19 1.0 0.79792 0.35619 0.32794 1.0000 + F F20 1.0 0.75625 0.39785 0.32794 1.0000 + F F21 1.0 0.71459 0.43952 0.32794 1.0000 + F F22 1.0 0.67292 0.48119 0.32794 1.0000 + F F23 1.0 0.63125 0.52285 0.32794 1.0000 + F F24 1.0 0.58959 0.56452 0.32794 1.0000 + F F25 1.0 0.08959 0.14785 0.32794 1.0000 + F F26 1.0 0.04792 0.18952 0.32794 1.0000 + F F27 1.0 0.00625 0.23119 0.32794 1.0000 + F F28 1.0 0.96459 0.27285 0.32794 1.0000 + F F29 1.0 0.92292 0.31452 0.32794 1.0000 + F F30 1.0 0.88125 0.35619 0.32794 1.0000 + F F31 1.0 0.83959 0.39785 0.32794 1.0000 + F F32 1.0 0.79792 0.43952 0.32794 1.0000 + F F33 1.0 0.75625 0.48119 0.32794 1.0000 + F F34 1.0 0.71459 0.52285 0.32794 1.0000 + F F35 1.0 0.67292 0.56452 0.32794 1.0000 + F F36 1.0 0.63125 0.60619 0.32794 1.0000 + F F37 1.0 0.13125 0.18952 0.32794 1.0000 + F F38 1.0 0.08959 0.23119 0.32794 1.0000 + F F39 1.0 0.04792 0.27285 0.32794 1.0000 + F F40 1.0 0.00625 0.31452 0.32794 1.0000 + F F41 1.0 0.96459 0.35619 0.32794 1.0000 + F F42 1.0 0.92292 0.39785 0.32794 1.0000 + F F43 1.0 0.88125 0.43952 0.32794 1.0000 + F F44 1.0 0.83959 0.48119 0.32794 1.0000 + F F45 1.0 0.79792 0.52285 0.32794 1.0000 + F F46 1.0 0.75625 0.56452 0.32794 1.0000 + F F47 1.0 0.71459 0.60619 0.32794 1.0000 + F F48 1.0 0.67292 0.64785 0.32794 1.0000 + F F49 1.0 0.17292 0.23119 0.32794 1.0000 + F F50 1.0 0.13125 0.27285 0.32794 1.0000 + F F51 1.0 0.08959 0.31452 0.32794 1.0000 + F F52 1.0 0.04792 0.35619 0.32794 1.0000 + F F53 1.0 0.00625 0.39785 0.32794 1.0000 + F F54 1.0 0.96459 0.43952 0.32794 1.0000 + F F55 1.0 0.92292 0.48119 0.32794 1.0000 + F F56 1.0 0.88125 0.52285 0.32794 1.0000 + F F57 1.0 0.83959 0.56452 0.32794 1.0000 + F F58 1.0 0.79792 0.60619 0.32794 1.0000 + F F59 1.0 0.75625 0.64785 0.32794 1.0000 + F F60 1.0 0.71459 0.68952 0.32794 1.0000 + F F61 1.0 0.21459 0.27285 0.32794 1.0000 + F F62 1.0 0.17292 0.31452 0.32794 1.0000 + F F63 1.0 0.13125 0.35619 0.32794 1.0000 + F F64 1.0 0.08959 0.39785 0.32794 1.0000 + F F65 1.0 0.04792 0.43952 0.32794 1.0000 + F F66 1.0 0.00625 0.48119 0.32794 1.0000 + F F67 1.0 0.96459 0.52285 0.32794 1.0000 + F F68 1.0 0.92292 0.56452 0.32794 1.0000 + F F69 1.0 0.88125 0.60619 0.32794 1.0000 + F F70 1.0 0.83959 0.64785 0.32794 1.0000 + F F71 1.0 0.79792 0.68952 0.32794 1.0000 + F F72 1.0 0.75625 0.73119 0.32794 1.0000 + F F73 1.0 0.25625 0.31452 0.32794 1.0000 + F F74 1.0 0.21459 0.35619 0.32794 1.0000 + F F75 1.0 0.17292 0.39785 0.32794 1.0000 + F F76 1.0 0.13125 0.43952 0.32794 1.0000 + F F77 1.0 0.08959 0.48119 0.32794 1.0000 + F F78 1.0 0.04792 0.52285 0.32794 1.0000 + F F79 1.0 0.00625 0.56452 0.32794 1.0000 + F F80 1.0 0.96459 0.60619 0.32794 1.0000 + F F81 1.0 0.92292 0.64785 0.32794 1.0000 + F F82 1.0 0.88125 0.68952 0.32794 1.0000 + F F83 1.0 0.83959 0.73119 0.32794 1.0000 + F F84 1.0 0.79792 0.77285 0.32794 1.0000 + F F85 1.0 0.29792 0.35619 0.32794 1.0000 + F F86 1.0 0.25625 0.39785 0.32794 1.0000 + F F87 1.0 0.21459 0.43952 0.32794 1.0000 + F F88 1.0 0.17292 0.48119 0.32794 1.0000 + F F89 1.0 0.13125 0.52285 0.32794 1.0000 + F F90 1.0 0.08959 0.56452 0.32794 1.0000 + F F91 1.0 0.04792 0.60619 0.32794 1.0000 + F F92 1.0 0.00625 0.64785 0.32794 1.0000 + F F93 1.0 0.96459 0.68952 0.32794 1.0000 + F F94 1.0 0.92292 0.73119 0.32794 1.0000 + F F95 1.0 0.88125 0.77285 0.32794 1.0000 + F F96 1.0 0.83959 0.81452 0.32794 1.0000 + F F97 1.0 0.33959 0.39785 0.32794 1.0000 + F F98 1.0 0.29792 0.43952 0.32794 1.0000 + F F99 1.0 0.25625 0.48119 0.32794 1.0000 + F F100 1.0 0.21459 0.52285 0.32794 1.0000 + F F101 1.0 0.17292 0.56452 0.32794 1.0000 + F F102 1.0 0.13125 0.60619 0.32794 1.0000 + F F103 1.0 0.08959 0.64785 0.32794 1.0000 + F F104 1.0 0.04792 0.68952 0.32794 1.0000 + F F105 1.0 0.00625 0.73119 0.32794 1.0000 + F F106 1.0 0.96459 0.77285 0.32794 1.0000 + F F107 1.0 0.92292 0.81452 0.32794 1.0000 + F F108 1.0 0.88125 0.85619 0.32794 1.0000 + F F109 1.0 0.38125 0.43952 0.32794 1.0000 + F F110 1.0 0.33959 0.48119 0.32794 1.0000 + F F111 1.0 0.29792 0.52285 0.32794 1.0000 + F F112 1.0 0.25625 0.56452 0.32794 1.0000 + F F113 1.0 0.21459 0.60619 0.32794 1.0000 + F F114 1.0 0.17292 0.64785 0.32794 1.0000 + F F115 1.0 0.13125 0.68952 0.32794 1.0000 + F F116 1.0 0.08959 0.73119 0.32794 1.0000 + F F117 1.0 0.04792 0.77285 0.32794 1.0000 + F F118 1.0 0.00625 0.81452 0.32794 1.0000 + F F119 1.0 0.96459 0.85619 0.32794 1.0000 + F F120 1.0 0.92292 0.89785 0.32794 1.0000 + F F121 1.0 0.42292 0.48119 0.32794 1.0000 + F F122 1.0 0.38125 0.52285 0.32794 1.0000 + F F123 1.0 0.33959 0.56452 0.32794 1.0000 + F F124 1.0 0.29792 0.60619 0.32794 1.0000 + F F125 1.0 0.25625 0.64785 0.32794 1.0000 + F F126 1.0 0.21459 0.68952 0.32794 1.0000 + F F127 1.0 0.17292 0.73119 0.32794 1.0000 + F F128 1.0 0.13125 0.77285 0.32794 1.0000 + F F129 1.0 0.08959 0.81452 0.32794 1.0000 + F F130 1.0 0.04792 0.85619 0.32794 1.0000 + F F131 1.0 0.00625 0.89785 0.32794 1.0000 + F F132 1.0 0.96459 0.93952 0.32794 1.0000 + F F133 1.0 0.46459 0.52285 0.32794 1.0000 + F F134 1.0 0.42292 0.56452 0.32794 1.0000 + F F135 1.0 0.38125 0.60619 0.32794 1.0000 + F F136 1.0 0.33959 0.64785 0.32794 1.0000 + F F137 1.0 0.29792 0.68952 0.32794 1.0000 + F F138 1.0 0.25625 0.73119 0.32794 1.0000 + F F139 1.0 0.21459 0.77285 0.32794 1.0000 + F F140 1.0 0.17292 0.81452 0.32794 1.0000 + F F141 1.0 0.13125 0.85619 0.32794 1.0000 + F F142 1.0 0.08959 0.89785 0.32794 1.0000 + F F143 1.0 0.04792 0.93952 0.32794 1.0000 + F F144 1.0 0.00625 0.98119 0.32794 1.0000 + F F145 1.0 0.02911 0.04166 0.32797 1.0000 + F F146 1.0 0.98744 0.08333 0.32797 1.0000 + F F147 1.0 0.94578 0.12500 0.32797 1.0000 + F F148 1.0 0.90411 0.16666 0.32797 1.0000 + F F149 1.0 0.86244 0.20833 0.32797 1.0000 + F F150 1.0 0.82078 0.25000 0.32797 1.0000 + F F151 1.0 0.77911 0.29166 0.32797 1.0000 + F F152 1.0 0.73744 0.33333 0.32797 1.0000 + F F153 1.0 0.69578 0.37500 0.32797 1.0000 + F F154 1.0 0.65411 0.41666 0.32797 1.0000 + F F155 1.0 0.61244 0.45833 0.32797 1.0000 + F F156 1.0 0.57078 0.50000 0.32797 1.0000 + F F157 1.0 0.07078 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0.90275 0.04167 0.67387 1.0000 + Li Li567 1.0 0.86109 0.08333 0.67387 1.0000 + Li Li568 1.0 0.81942 0.12500 0.67387 1.0000 + Li Li569 1.0 0.77775 0.16667 0.67387 1.0000 + Li Li570 1.0 0.73609 0.20833 0.67387 1.0000 + Li Li571 1.0 0.69442 0.25000 0.67387 1.0000 + Li Li572 1.0 0.65275 0.29167 0.67387 1.0000 + Li Li573 1.0 0.61109 0.33333 0.67387 1.0000 + Li Li574 1.0 0.56942 0.37500 0.67387 1.0000 + Li Li575 1.0 0.52775 0.41667 0.67387 1.0000 + Li Li576 1.0 0.48609 0.45833 0.67387 1.0000 + Mn Mn145 1.0 0.54165 0.54168 0.50000 1.0000 + Mn Mn146 1.0 0.49998 0.58334 0.50000 1.0000 + Mn Mn147 1.0 0.45831 0.62501 0.50000 1.0000 + Mn Mn148 1.0 0.41665 0.66668 0.50000 1.0000 + Mn Mn149 1.0 0.37498 0.70834 0.50000 1.0000 + Mn Mn150 1.0 0.33331 0.75001 0.50000 1.0000 + Mn Mn151 1.0 0.29165 0.79168 0.50000 1.0000 + Mn Mn152 1.0 0.24998 0.83334 0.50000 1.0000 + Mn Mn153 1.0 0.20831 0.87501 0.50000 1.0000 + Mn Mn154 1.0 0.16665 0.91668 0.50000 1.0000 + Mn Mn155 1.0 0.12498 0.95834 0.50000 1.0000 + Mn Mn156 1.0 0.08331 0.00001 0.50000 1.0000 + Mn Mn157 1.0 0.58331 0.58334 0.50000 1.0000 + Mn Mn158 1.0 0.54165 0.62501 0.50000 1.0000 + Mn Mn159 1.0 0.49998 0.66668 0.50000 1.0000 + Mn Mn160 1.0 0.45831 0.70834 0.50000 1.0000 + Mn Mn161 1.0 0.41665 0.75001 0.50000 1.0000 + Mn Mn162 1.0 0.37498 0.79168 0.50000 1.0000 + Mn Mn163 1.0 0.33331 0.83334 0.50000 1.0000 + Mn Mn164 1.0 0.29165 0.87501 0.50000 1.0000 + Mn Mn165 1.0 0.24998 0.91668 0.50000 1.0000 + Mn Mn166 1.0 0.20831 0.95834 0.50000 1.0000 + Mn Mn167 1.0 0.16665 0.00001 0.50000 1.0000 + Mn Mn168 1.0 0.12498 0.04168 0.50000 1.0000 + Mn Mn169 1.0 0.62498 0.62501 0.50000 1.0000 + Mn Mn170 1.0 0.58331 0.66668 0.50000 1.0000 + Mn Mn171 1.0 0.54165 0.70834 0.50000 1.0000 + Mn Mn172 1.0 0.49998 0.75001 0.50000 1.0000 + Mn Mn173 1.0 0.45831 0.79168 0.50000 1.0000 + Mn Mn174 1.0 0.41665 0.83334 0.50000 1.0000 + Mn Mn175 1.0 0.37498 0.87501 0.50000 1.0000 + Mn Mn176 1.0 0.33331 0.91668 0.50000 1.0000 + Mn Mn177 1.0 0.29165 0.95834 0.50000 1.0000 + Mn Mn178 1.0 0.24998 0.00001 0.50000 1.0000 + Mn Mn179 1.0 0.20831 0.04168 0.50000 1.0000 + Mn Mn180 1.0 0.16665 0.08334 0.50000 1.0000 + Mn Mn181 1.0 0.66665 0.66668 0.50000 1.0000 + Mn Mn182 1.0 0.62498 0.70834 0.50000 1.0000 + Mn Mn183 1.0 0.58331 0.75001 0.50000 1.0000 + Mn Mn184 1.0 0.54165 0.79168 0.50000 1.0000 + Mn Mn185 1.0 0.49998 0.83334 0.50000 1.0000 + Mn Mn186 1.0 0.45831 0.87501 0.50000 1.0000 + Mn Mn187 1.0 0.41665 0.91668 0.50000 1.0000 + Mn Mn188 1.0 0.37498 0.95834 0.50000 1.0000 + Mn Mn189 1.0 0.33331 0.00001 0.50000 1.0000 + Mn Mn190 1.0 0.29165 0.04168 0.50000 1.0000 + Mn Mn191 1.0 0.24998 0.08334 0.50000 1.0000 + Mn Mn192 1.0 0.20831 0.12501 0.50000 1.0000 + Mn Mn193 1.0 0.70831 0.70834 0.50000 1.0000 + Mn Mn194 1.0 0.66665 0.75001 0.50000 1.0000 + Mn Mn195 1.0 0.62498 0.79168 0.50000 1.0000 + Mn Mn196 1.0 0.58331 0.83334 0.50000 1.0000 + Mn Mn197 1.0 0.54165 0.87501 0.50000 1.0000 + Mn Mn198 1.0 0.49998 0.91668 0.50000 1.0000 + Mn Mn199 1.0 0.45831 0.95834 0.50000 1.0000 + Mn Mn200 1.0 0.41665 0.00001 0.50000 1.0000 + Mn Mn201 1.0 0.37498 0.04168 0.50000 1.0000 + Mn Mn202 1.0 0.33331 0.08334 0.50000 1.0000 + Mn Mn203 1.0 0.29165 0.12501 0.50000 1.0000 + Mn Mn204 1.0 0.24998 0.16668 0.50000 1.0000 + Mn Mn205 1.0 0.74998 0.75001 0.50000 1.0000 + Mn Mn206 1.0 0.70831 0.79168 0.50000 1.0000 + Mn Mn207 1.0 0.66665 0.83334 0.50000 1.0000 + Mn Mn208 1.0 0.62498 0.87501 0.50000 1.0000 + Mn Mn209 1.0 0.58331 0.91668 0.50000 1.0000 + Mn Mn210 1.0 0.54165 0.95834 0.50000 1.0000 + Mn Mn211 1.0 0.49998 0.00001 0.50000 1.0000 + Mn Mn212 1.0 0.45831 0.04168 0.50000 1.0000 + Mn Mn213 1.0 0.41665 0.08334 0.50000 1.0000 + Mn Mn214 1.0 0.37498 0.12501 0.50000 1.0000 + Mn Mn215 1.0 0.33331 0.16668 0.50000 1.0000 + Mn Mn216 1.0 0.29165 0.20834 0.50000 1.0000 + Mn Mn217 1.0 0.79165 0.79168 0.50000 1.0000 + Mn Mn218 1.0 0.74998 0.83334 0.50000 1.0000 + Mn Mn219 1.0 0.70831 0.87501 0.50000 1.0000 + Mn Mn220 1.0 0.66665 0.91668 0.50000 1.0000 + Mn Mn221 1.0 0.62498 0.95834 0.50000 1.0000 + Mn Mn222 1.0 0.58331 0.00001 0.50000 1.0000 + Mn Mn223 1.0 0.54165 0.04168 0.50000 1.0000 + Mn Mn224 1.0 0.49998 0.08334 0.50000 1.0000 + Mn Mn225 1.0 0.45831 0.12501 0.50000 1.0000 + Mn Mn226 1.0 0.41665 0.16668 0.50000 1.0000 + Mn Mn227 1.0 0.37498 0.20834 0.50000 1.0000 + Mn Mn228 1.0 0.33331 0.25001 0.50000 1.0000 + Mn Mn229 1.0 0.83331 0.83334 0.50000 1.0000 + Mn Mn230 1.0 0.79165 0.87501 0.50000 1.0000 + Mn Mn231 1.0 0.74998 0.91668 0.50000 1.0000 + Mn Mn232 1.0 0.70831 0.95834 0.50000 1.0000 + Mn Mn233 1.0 0.66665 0.00001 0.50000 1.0000 + Mn Mn234 1.0 0.62498 0.04168 0.50000 1.0000 + Mn Mn235 1.0 0.58331 0.08334 0.50000 1.0000 + Mn Mn236 1.0 0.54165 0.12501 0.50000 1.0000 + Mn Mn237 1.0 0.49998 0.16668 0.50000 1.0000 + Mn Mn238 1.0 0.45831 0.20834 0.50000 1.0000 + Mn Mn239 1.0 0.41665 0.25001 0.50000 1.0000 + Mn Mn240 1.0 0.37498 0.29168 0.50000 1.0000 + Mn Mn241 1.0 0.87498 0.87501 0.50000 1.0000 + Mn Mn242 1.0 0.83331 0.91668 0.50000 1.0000 + Mn Mn243 1.0 0.79165 0.95834 0.50000 1.0000 + Mn Mn244 1.0 0.74998 0.00001 0.50000 1.0000 + Mn Mn245 1.0 0.70831 0.04168 0.50000 1.0000 + Mn Mn246 1.0 0.66665 0.08334 0.50000 1.0000 + Mn Mn247 1.0 0.62498 0.12501 0.50000 1.0000 + Mn Mn248 1.0 0.58331 0.16668 0.50000 1.0000 + Mn Mn249 1.0 0.54165 0.20834 0.50000 1.0000 + Mn Mn250 1.0 0.49998 0.25001 0.50000 1.0000 + Mn Mn251 1.0 0.45831 0.29168 0.50000 1.0000 + Mn Mn252 1.0 0.41665 0.33334 0.50000 1.0000 + Mn Mn253 1.0 0.91665 0.91668 0.50000 1.0000 + Mn Mn254 1.0 0.87498 0.95834 0.50000 1.0000 + Mn Mn255 1.0 0.83331 0.00001 0.50000 1.0000 + Mn Mn256 1.0 0.79165 0.04168 0.50000 1.0000 + Mn Mn257 1.0 0.74998 0.08334 0.50000 1.0000 + Mn Mn258 1.0 0.70831 0.12501 0.50000 1.0000 + Mn Mn259 1.0 0.66665 0.16668 0.50000 1.0000 + Mn Mn260 1.0 0.62498 0.20834 0.50000 1.0000 + Mn Mn261 1.0 0.58331 0.25001 0.50000 1.0000 + Mn Mn262 1.0 0.54165 0.29168 0.50000 1.0000 + Mn Mn263 1.0 0.49998 0.33334 0.50000 1.0000 + Mn Mn264 1.0 0.45831 0.37501 0.50000 1.0000 + Mn Mn265 1.0 0.95831 0.95834 0.50000 1.0000 + Mn Mn266 1.0 0.91665 0.00001 0.50000 1.0000 + Mn Mn267 1.0 0.87498 0.04168 0.50000 1.0000 + Mn Mn268 1.0 0.83331 0.08334 0.50000 1.0000 + Mn Mn269 1.0 0.79165 0.12501 0.50000 1.0000 + Mn Mn270 1.0 0.74998 0.16668 0.50000 1.0000 + Mn Mn271 1.0 0.70831 0.20834 0.50000 1.0000 + Mn Mn272 1.0 0.66665 0.25001 0.50000 1.0000 + Mn Mn273 1.0 0.62498 0.29168 0.50000 1.0000 + Mn Mn274 1.0 0.58331 0.33334 0.50000 1.0000 + Mn Mn275 1.0 0.54165 0.37501 0.50000 1.0000 + Mn Mn276 1.0 0.49998 0.41668 0.50000 1.0000 + Mn Mn277 1.0 0.99998 0.00001 0.50000 1.0000 + Mn Mn278 1.0 0.95831 0.04168 0.50000 1.0000 + Mn Mn279 1.0 0.91665 0.08334 0.50000 1.0000 + Mn Mn280 1.0 0.87498 0.12501 0.50000 1.0000 + Mn Mn281 1.0 0.83331 0.16668 0.50000 1.0000 + Mn Mn282 1.0 0.79165 0.20834 0.50000 1.0000 + Mn Mn283 1.0 0.74998 0.25001 0.50000 1.0000 + Mn Mn284 1.0 0.70831 0.29168 0.50000 1.0000 + Mn Mn285 1.0 0.66665 0.33334 0.50000 1.0000 + Mn Mn286 1.0 0.62498 0.37501 0.50000 1.0000 + Mn Mn287 1.0 0.58331 0.41668 0.50000 1.0000 + Mn Mn288 1.0 0.54165 0.45834 0.50000 1.0000 + F F865 1.0 0.50625 0.56452 0.32794 1.0000 + F F866 1.0 0.46459 0.60619 0.32794 1.0000 + F F867 1.0 0.42292 0.64785 0.32794 1.0000 + F F868 1.0 0.38125 0.68952 0.32794 1.0000 + F F869 1.0 0.33959 0.73119 0.32794 1.0000 + F F870 1.0 0.29792 0.77285 0.32794 1.0000 + F F871 1.0 0.25625 0.81452 0.32794 1.0000 + F F872 1.0 0.21459 0.85619 0.32794 1.0000 + F F873 1.0 0.17292 0.89785 0.32794 1.0000 + F F874 1.0 0.13125 0.93952 0.32794 1.0000 + F F875 1.0 0.08959 0.98119 0.32794 1.0000 + F F876 1.0 0.04792 0.02285 0.32794 1.0000 + F F877 1.0 0.54792 0.60619 0.32794 1.0000 + F F878 1.0 0.50625 0.64785 0.32794 1.0000 + F F879 1.0 0.46459 0.68952 0.32794 1.0000 + F F880 1.0 0.42292 0.73119 0.32794 1.0000 + F F881 1.0 0.38125 0.77285 0.32794 1.0000 + F F882 1.0 0.33959 0.81452 0.32794 1.0000 + F F883 1.0 0.29792 0.85619 0.32794 1.0000 + F F884 1.0 0.25625 0.89785 0.32794 1.0000 + F F885 1.0 0.21459 0.93952 0.32794 1.0000 + F F886 1.0 0.17292 0.98119 0.32794 1.0000 + F F887 1.0 0.13125 0.02285 0.32794 1.0000 + F F888 1.0 0.08959 0.06452 0.32794 1.0000 + F F889 1.0 0.58959 0.64785 0.32794 1.0000 + F F890 1.0 0.54792 0.68952 0.32794 1.0000 + F F891 1.0 0.50625 0.73119 0.32794 1.0000 + F F892 1.0 0.46459 0.77285 0.32794 1.0000 + F F893 1.0 0.42292 0.81452 0.32794 1.0000 + F F894 1.0 0.38125 0.85619 0.32794 1.0000 + F F895 1.0 0.33959 0.89785 0.32794 1.0000 + F F896 1.0 0.29792 0.93952 0.32794 1.0000 + F F897 1.0 0.25625 0.98119 0.32794 1.0000 + F F898 1.0 0.21459 0.02285 0.32794 1.0000 + F F899 1.0 0.17292 0.06452 0.32794 1.0000 + F F900 1.0 0.13125 0.10619 0.32794 1.0000 + F F901 1.0 0.63125 0.68952 0.32794 1.0000 + F F902 1.0 0.58959 0.73119 0.32794 1.0000 + F F903 1.0 0.54792 0.77285 0.32794 1.0000 + F F904 1.0 0.50625 0.81452 0.32794 1.0000 + F F905 1.0 0.46459 0.85619 0.32794 1.0000 + F F906 1.0 0.42292 0.89785 0.32794 1.0000 + F F907 1.0 0.38125 0.93952 0.32794 1.0000 + F F908 1.0 0.33959 0.98119 0.32794 1.0000 + F F909 1.0 0.29792 0.02285 0.32794 1.0000 + F F910 1.0 0.25625 0.06452 0.32794 1.0000 + F F911 1.0 0.21459 0.10619 0.32794 1.0000 + F F912 1.0 0.17292 0.14785 0.32794 1.0000 + F F913 1.0 0.67292 0.73119 0.32794 1.0000 + F F914 1.0 0.63125 0.77285 0.32794 1.0000 + F F915 1.0 0.58959 0.81452 0.32794 1.0000 + F F916 1.0 0.54792 0.85619 0.32794 1.0000 + F F917 1.0 0.50625 0.89785 0.32794 1.0000 + F F918 1.0 0.46459 0.93952 0.32794 1.0000 + F F919 1.0 0.42292 0.98119 0.32794 1.0000 + F F920 1.0 0.38125 0.02285 0.32794 1.0000 + F F921 1.0 0.33959 0.06452 0.32794 1.0000 + F F922 1.0 0.29792 0.10619 0.32794 1.0000 + F F923 1.0 0.25625 0.14785 0.32794 1.0000 + F F924 1.0 0.21459 0.18952 0.32794 1.0000 + F F925 1.0 0.71459 0.77285 0.32794 1.0000 + F F926 1.0 0.67292 0.81452 0.32794 1.0000 + F F927 1.0 0.63125 0.85619 0.32794 1.0000 + F F928 1.0 0.58959 0.89785 0.32794 1.0000 + F F929 1.0 0.54792 0.93952 0.32794 1.0000 + F F930 1.0 0.50625 0.98119 0.32794 1.0000 + F F931 1.0 0.46459 0.02285 0.32794 1.0000 + F F932 1.0 0.42292 0.06452 0.32794 1.0000 + F F933 1.0 0.38125 0.10619 0.32794 1.0000 + F F934 1.0 0.33959 0.14785 0.32794 1.0000 + F F935 1.0 0.29792 0.18952 0.32794 1.0000 + F F936 1.0 0.25625 0.23119 0.32794 1.0000 + F F937 1.0 0.75625 0.81452 0.32794 1.0000 + F F938 1.0 0.71459 0.85619 0.32794 1.0000 + F F939 1.0 0.67292 0.89785 0.32794 1.0000 + F F940 1.0 0.63125 0.93952 0.32794 1.0000 + F F941 1.0 0.58959 0.98119 0.32794 1.0000 + F F942 1.0 0.54792 0.02285 0.32794 1.0000 + F F943 1.0 0.50625 0.06452 0.32794 1.0000 + F F944 1.0 0.46459 0.10619 0.32794 1.0000 + F F945 1.0 0.42292 0.14785 0.32794 1.0000 + F F946 1.0 0.38125 0.18952 0.32794 1.0000 + F F947 1.0 0.33959 0.23119 0.32794 1.0000 + F F948 1.0 0.29792 0.27285 0.32794 1.0000 + F F949 1.0 0.79792 0.85619 0.32794 1.0000 + F F950 1.0 0.75625 0.89785 0.32794 1.0000 + F F951 1.0 0.71459 0.93952 0.32794 1.0000 + F F952 1.0 0.67292 0.98119 0.32794 1.0000 + F F953 1.0 0.63125 0.02285 0.32794 1.0000 + F F954 1.0 0.58959 0.06452 0.32794 1.0000 + F F955 1.0 0.54792 0.10619 0.32794 1.0000 + F F956 1.0 0.50625 0.14785 0.32794 1.0000 + F F957 1.0 0.46459 0.18952 0.32794 1.0000 + F F958 1.0 0.42292 0.23119 0.32794 1.0000 + F F959 1.0 0.38125 0.27285 0.32794 1.0000 + F F960 1.0 0.33959 0.31452 0.32794 1.0000 + F F961 1.0 0.83959 0.89785 0.32794 1.0000 + F F962 1.0 0.79792 0.93952 0.32794 1.0000 + F F963 1.0 0.75625 0.98119 0.32794 1.0000 + F F964 1.0 0.71459 0.02285 0.32794 1.0000 + F F965 1.0 0.67292 0.06452 0.32794 1.0000 + F F966 1.0 0.63125 0.10619 0.32794 1.0000 + F F967 1.0 0.58959 0.14785 0.32794 1.0000 + F F968 1.0 0.54792 0.18952 0.32794 1.0000 + F F969 1.0 0.50625 0.23119 0.32794 1.0000 + F F970 1.0 0.46459 0.27285 0.32794 1.0000 + F F971 1.0 0.42292 0.31452 0.32794 1.0000 + F F972 1.0 0.38125 0.35619 0.32794 1.0000 + F F973 1.0 0.88125 0.93952 0.32794 1.0000 + F F974 1.0 0.83959 0.98119 0.32794 1.0000 + F F975 1.0 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b/tier2/cif_file/orthogonal_2dm-5195_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..2072a4f0a7ecdde1a6c378a5eb7f940898044d1b --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5195_supercell_12x12x1.cif @@ -0,0 +1,2185 @@ +data_image0 +_chemical_formula_structural Be288Te1008Cl864 +_chemical_formula_sum "Be288 Te1008 Cl864" +_cell_length_a 65.2349 +_cell_length_b 198.521 +_cell_length_c 6.79129 +_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 + Be Be1 1.0 0.00000 0.00663 0.50000 1.0000 + Be Be2 1.0 0.00000 0.08997 0.50000 1.0000 + Be Be3 1.0 0.00000 0.17330 0.50000 1.0000 + Be Be4 1.0 0.00000 0.25663 0.50000 1.0000 + Be Be5 1.0 0.00000 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Te Te611 1.0 0.23618 0.86409 0.34050 1.0000 + Te Te612 1.0 0.23618 0.94743 0.34050 1.0000 + Te Te613 1.0 0.31951 0.03076 0.34050 1.0000 + Te Te614 1.0 0.31951 0.11409 0.34050 1.0000 + Te Te615 1.0 0.31951 0.19743 0.34050 1.0000 + Te Te616 1.0 0.31951 0.28076 0.34050 1.0000 + Te Te617 1.0 0.31951 0.36409 0.34050 1.0000 + Te Te618 1.0 0.31951 0.44743 0.34050 1.0000 + Te Te619 1.0 0.31951 0.53076 0.34050 1.0000 + Te Te620 1.0 0.31951 0.61409 0.34050 1.0000 + Te Te621 1.0 0.31951 0.69743 0.34050 1.0000 + Te Te622 1.0 0.31951 0.78076 0.34050 1.0000 + Te Te623 1.0 0.31951 0.86409 0.34050 1.0000 + Te Te624 1.0 0.31951 0.94743 0.34050 1.0000 + Te Te625 1.0 0.40285 0.03076 0.34050 1.0000 + Te Te626 1.0 0.40285 0.11409 0.34050 1.0000 + Te Te627 1.0 0.40285 0.19743 0.34050 1.0000 + Te Te628 1.0 0.40285 0.28076 0.34050 1.0000 + Te Te629 1.0 0.40285 0.36409 0.34050 1.0000 + Te Te630 1.0 0.40285 0.44743 0.34050 1.0000 + Te Te631 1.0 0.40285 0.53076 0.34050 1.0000 + Te Te632 1.0 0.40285 0.61409 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Te Te676 1.0 0.73618 0.28076 0.34050 1.0000 + Te Te677 1.0 0.73618 0.36409 0.34050 1.0000 + Te Te678 1.0 0.73618 0.44743 0.34050 1.0000 + Te Te679 1.0 0.73618 0.53076 0.34050 1.0000 + Te Te680 1.0 0.73618 0.61409 0.34050 1.0000 + Te Te681 1.0 0.73618 0.69743 0.34050 1.0000 + Te Te682 1.0 0.73618 0.78076 0.34050 1.0000 + Te Te683 1.0 0.73618 0.86409 0.34050 1.0000 + Te Te684 1.0 0.73618 0.94743 0.34050 1.0000 + Te Te685 1.0 0.81951 0.03076 0.34050 1.0000 + Te Te686 1.0 0.81951 0.11409 0.34050 1.0000 + Te Te687 1.0 0.81951 0.19743 0.34050 1.0000 + Te Te688 1.0 0.81951 0.28076 0.34050 1.0000 + Te Te689 1.0 0.81951 0.36409 0.34050 1.0000 + Te Te690 1.0 0.81951 0.44743 0.34050 1.0000 + Te Te691 1.0 0.81951 0.53076 0.34050 1.0000 + Te Te692 1.0 0.81951 0.61409 0.34050 1.0000 + Te Te693 1.0 0.81951 0.69743 0.34050 1.0000 + Te Te694 1.0 0.81951 0.78076 0.34050 1.0000 + Te Te695 1.0 0.81951 0.86409 0.34050 1.0000 + Te Te696 1.0 0.81951 0.94743 0.34050 1.0000 + Te Te697 1.0 0.90285 0.03076 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Te Te741 1.0 0.12500 0.72905 0.50000 1.0000 + Te Te742 1.0 0.12500 0.81238 0.50000 1.0000 + Te Te743 1.0 0.12500 0.89571 0.50000 1.0000 + Te Te744 1.0 0.12500 0.97905 0.50000 1.0000 + Te Te745 1.0 0.20833 0.06238 0.50000 1.0000 + Te Te746 1.0 0.20833 0.14571 0.50000 1.0000 + Te Te747 1.0 0.20833 0.22905 0.50000 1.0000 + Te Te748 1.0 0.20833 0.31238 0.50000 1.0000 + Te Te749 1.0 0.20833 0.39571 0.50000 1.0000 + Te Te750 1.0 0.20833 0.47905 0.50000 1.0000 + Te Te751 1.0 0.20833 0.56238 0.50000 1.0000 + Te Te752 1.0 0.20833 0.64571 0.50000 1.0000 + Te Te753 1.0 0.20833 0.72905 0.50000 1.0000 + Te Te754 1.0 0.20833 0.81238 0.50000 1.0000 + Te Te755 1.0 0.20833 0.89571 0.50000 1.0000 + Te Te756 1.0 0.20833 0.97905 0.50000 1.0000 + Te Te757 1.0 0.29167 0.06238 0.50000 1.0000 + Te Te758 1.0 0.29167 0.14571 0.50000 1.0000 + Te Te759 1.0 0.29167 0.22905 0.50000 1.0000 + Te Te760 1.0 0.29167 0.31238 0.50000 1.0000 + Te Te761 1.0 0.29167 0.39571 0.50000 1.0000 + Te Te762 1.0 0.29167 0.47905 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0.45833 0.31238 0.50000 1.0000 + Te Te785 1.0 0.45833 0.39571 0.50000 1.0000 + Te Te786 1.0 0.45833 0.47905 0.50000 1.0000 + Te Te787 1.0 0.45833 0.56238 0.50000 1.0000 + Te Te788 1.0 0.45833 0.64571 0.50000 1.0000 + Te Te789 1.0 0.45833 0.72905 0.50000 1.0000 + Te Te790 1.0 0.45833 0.81238 0.50000 1.0000 + Te Te791 1.0 0.45833 0.89571 0.50000 1.0000 + Te Te792 1.0 0.45833 0.97905 0.50000 1.0000 + Te Te793 1.0 0.54167 0.06238 0.50000 1.0000 + Te Te794 1.0 0.54167 0.14571 0.50000 1.0000 + Te Te795 1.0 0.54167 0.22905 0.50000 1.0000 + Te Te796 1.0 0.54167 0.31238 0.50000 1.0000 + Te Te797 1.0 0.54167 0.39571 0.50000 1.0000 + Te Te798 1.0 0.54167 0.47905 0.50000 1.0000 + Te Te799 1.0 0.54167 0.56238 0.50000 1.0000 + Te Te800 1.0 0.54167 0.64571 0.50000 1.0000 + Te Te801 1.0 0.54167 0.72905 0.50000 1.0000 + Te Te802 1.0 0.54167 0.81238 0.50000 1.0000 + Te Te803 1.0 0.54167 0.89571 0.50000 1.0000 + Te Te804 1.0 0.54167 0.97905 0.50000 1.0000 + Te Te805 1.0 0.62500 0.06238 0.50000 1.0000 + Te Te806 1.0 0.62500 0.14571 0.50000 1.0000 + Te Te807 1.0 0.62500 0.22905 0.50000 1.0000 + Te Te808 1.0 0.62500 0.31238 0.50000 1.0000 + Te Te809 1.0 0.62500 0.39571 0.50000 1.0000 + Te Te810 1.0 0.62500 0.47905 0.50000 1.0000 + Te Te811 1.0 0.62500 0.56238 0.50000 1.0000 + Te Te812 1.0 0.62500 0.64571 0.50000 1.0000 + Te Te813 1.0 0.62500 0.72905 0.50000 1.0000 + Te Te814 1.0 0.62500 0.81238 0.50000 1.0000 + Te Te815 1.0 0.62500 0.89571 0.50000 1.0000 + Te Te816 1.0 0.62500 0.97905 0.50000 1.0000 + Te Te817 1.0 0.70833 0.06238 0.50000 1.0000 + Te Te818 1.0 0.70833 0.14571 0.50000 1.0000 + Te Te819 1.0 0.70833 0.22905 0.50000 1.0000 + Te Te820 1.0 0.70833 0.31238 0.50000 1.0000 + Te Te821 1.0 0.70833 0.39571 0.50000 1.0000 + Te Te822 1.0 0.70833 0.47905 0.50000 1.0000 + Te Te823 1.0 0.70833 0.56238 0.50000 1.0000 + Te Te824 1.0 0.70833 0.64571 0.50000 1.0000 + Te Te825 1.0 0.70833 0.72905 0.50000 1.0000 + Te Te826 1.0 0.70833 0.81238 0.50000 1.0000 + Te Te827 1.0 0.70833 0.89571 0.50000 1.0000 + Te Te828 1.0 0.70833 0.97905 0.50000 1.0000 + Te Te829 1.0 0.79167 0.06238 0.50000 1.0000 + Te Te830 1.0 0.79167 0.14571 0.50000 1.0000 + Te Te831 1.0 0.79167 0.22905 0.50000 1.0000 + Te Te832 1.0 0.79167 0.31238 0.50000 1.0000 + Te Te833 1.0 0.79167 0.39571 0.50000 1.0000 + Te Te834 1.0 0.79167 0.47905 0.50000 1.0000 + Te Te835 1.0 0.79167 0.56238 0.50000 1.0000 + Te Te836 1.0 0.79167 0.64571 0.50000 1.0000 + Te Te837 1.0 0.79167 0.72905 0.50000 1.0000 + Te Te838 1.0 0.79167 0.81238 0.50000 1.0000 + Te Te839 1.0 0.79167 0.89571 0.50000 1.0000 + Te Te840 1.0 0.79167 0.97905 0.50000 1.0000 + Te Te841 1.0 0.87500 0.06238 0.50000 1.0000 + Te Te842 1.0 0.87500 0.14571 0.50000 1.0000 + Te Te843 1.0 0.87500 0.22905 0.50000 1.0000 + Te Te844 1.0 0.87500 0.31238 0.50000 1.0000 + Te Te845 1.0 0.87500 0.39571 0.50000 1.0000 + Te Te846 1.0 0.87500 0.47905 0.50000 1.0000 + Te Te847 1.0 0.87500 0.56238 0.50000 1.0000 + Te Te848 1.0 0.87500 0.64571 0.50000 1.0000 + Te Te849 1.0 0.87500 0.72905 0.50000 1.0000 + Te Te850 1.0 0.87500 0.81238 0.50000 1.0000 + Te Te851 1.0 0.87500 0.89571 0.50000 1.0000 + Te Te852 1.0 0.87500 0.97905 0.50000 1.0000 + Te Te853 1.0 0.95833 0.06238 0.50000 1.0000 + Te Te854 1.0 0.95833 0.14571 0.50000 1.0000 + Te Te855 1.0 0.95833 0.22905 0.50000 1.0000 + Te Te856 1.0 0.95833 0.31238 0.50000 1.0000 + Te Te857 1.0 0.95833 0.39571 0.50000 1.0000 + Te Te858 1.0 0.95833 0.47905 0.50000 1.0000 + Te Te859 1.0 0.95833 0.56238 0.50000 1.0000 + Te Te860 1.0 0.95833 0.64571 0.50000 1.0000 + Te Te861 1.0 0.95833 0.72905 0.50000 1.0000 + Te Te862 1.0 0.95833 0.81238 0.50000 1.0000 + Te Te863 1.0 0.95833 0.89571 0.50000 1.0000 + Te Te864 1.0 0.95833 0.97905 0.50000 1.0000 + Te Te865 1.0 0.04167 0.02095 0.50000 1.0000 + Te Te866 1.0 0.04167 0.10429 0.50000 1.0000 + Te Te867 1.0 0.04167 0.18762 0.50000 1.0000 + Te Te868 1.0 0.04167 0.27095 0.50000 1.0000 + Te Te869 1.0 0.04167 0.35429 0.50000 1.0000 + Te Te870 1.0 0.04167 0.43762 0.50000 1.0000 + Te Te871 1.0 0.04167 0.52095 0.50000 1.0000 + Te Te872 1.0 0.04167 0.60429 0.50000 1.0000 + Te Te873 1.0 0.04167 0.68762 0.50000 1.0000 + Te Te874 1.0 0.04167 0.77095 0.50000 1.0000 + Te Te875 1.0 0.04167 0.85429 0.50000 1.0000 + Te Te876 1.0 0.04167 0.93762 0.50000 1.0000 + Te Te877 1.0 0.12500 0.02095 0.50000 1.0000 + Te Te878 1.0 0.12500 0.10429 0.50000 1.0000 + Te Te879 1.0 0.12500 0.18762 0.50000 1.0000 + Te Te880 1.0 0.12500 0.27095 0.50000 1.0000 + Te Te881 1.0 0.12500 0.35429 0.50000 1.0000 + Te Te882 1.0 0.12500 0.43762 0.50000 1.0000 + Te Te883 1.0 0.12500 0.52095 0.50000 1.0000 + Te Te884 1.0 0.12500 0.60429 0.50000 1.0000 + Te Te885 1.0 0.12500 0.68762 0.50000 1.0000 + Te Te886 1.0 0.12500 0.77095 0.50000 1.0000 + Te Te887 1.0 0.12500 0.85429 0.50000 1.0000 + Te Te888 1.0 0.12500 0.93762 0.50000 1.0000 + Te Te889 1.0 0.20833 0.02095 0.50000 1.0000 + Te Te890 1.0 0.20833 0.10429 0.50000 1.0000 + Te Te891 1.0 0.20833 0.18762 0.50000 1.0000 + Te Te892 1.0 0.20833 0.27095 0.50000 1.0000 + Te Te893 1.0 0.20833 0.35429 0.50000 1.0000 + Te Te894 1.0 0.20833 0.43762 0.50000 1.0000 + Te Te895 1.0 0.20833 0.52095 0.50000 1.0000 + Te Te896 1.0 0.20833 0.60429 0.50000 1.0000 + Te Te897 1.0 0.20833 0.68762 0.50000 1.0000 + Te Te898 1.0 0.20833 0.77095 0.50000 1.0000 + Te Te899 1.0 0.20833 0.85429 0.50000 1.0000 + Te Te900 1.0 0.20833 0.93762 0.50000 1.0000 + Te Te901 1.0 0.29167 0.02095 0.50000 1.0000 + Te Te902 1.0 0.29167 0.10429 0.50000 1.0000 + Te Te903 1.0 0.29167 0.18762 0.50000 1.0000 + Te Te904 1.0 0.29167 0.27095 0.50000 1.0000 + Te Te905 1.0 0.29167 0.35429 0.50000 1.0000 + Te Te906 1.0 0.29167 0.43762 0.50000 1.0000 + Te Te907 1.0 0.29167 0.52095 0.50000 1.0000 + Te Te908 1.0 0.29167 0.60429 0.50000 1.0000 + Te Te909 1.0 0.29167 0.68762 0.50000 1.0000 + Te Te910 1.0 0.29167 0.77095 0.50000 1.0000 + Te Te911 1.0 0.29167 0.85429 0.50000 1.0000 + Te Te912 1.0 0.29167 0.93762 0.50000 1.0000 + Te Te913 1.0 0.37500 0.02095 0.50000 1.0000 + Te Te914 1.0 0.37500 0.10429 0.50000 1.0000 + Te Te915 1.0 0.37500 0.18762 0.50000 1.0000 + Te Te916 1.0 0.37500 0.27095 0.50000 1.0000 + Te Te917 1.0 0.37500 0.35429 0.50000 1.0000 + Te Te918 1.0 0.37500 0.43762 0.50000 1.0000 + Te Te919 1.0 0.37500 0.52095 0.50000 1.0000 + Te Te920 1.0 0.37500 0.60429 0.50000 1.0000 + Te Te921 1.0 0.37500 0.68762 0.50000 1.0000 + Te Te922 1.0 0.37500 0.77095 0.50000 1.0000 + Te Te923 1.0 0.37500 0.85429 0.50000 1.0000 + Te Te924 1.0 0.37500 0.93762 0.50000 1.0000 + Te Te925 1.0 0.45833 0.02095 0.50000 1.0000 + Te Te926 1.0 0.45833 0.10429 0.50000 1.0000 + Te Te927 1.0 0.45833 0.18762 0.50000 1.0000 + Te Te928 1.0 0.45833 0.27095 0.50000 1.0000 + Te Te929 1.0 0.45833 0.35429 0.50000 1.0000 + Te Te930 1.0 0.45833 0.43762 0.50000 1.0000 + Te Te931 1.0 0.45833 0.52095 0.50000 1.0000 + Te Te932 1.0 0.45833 0.60429 0.50000 1.0000 + Te Te933 1.0 0.45833 0.68762 0.50000 1.0000 + Te Te934 1.0 0.45833 0.77095 0.50000 1.0000 + Te Te935 1.0 0.45833 0.85429 0.50000 1.0000 + Te Te936 1.0 0.45833 0.93762 0.50000 1.0000 + Te Te937 1.0 0.54167 0.02095 0.50000 1.0000 + Te Te938 1.0 0.54167 0.10429 0.50000 1.0000 + Te Te939 1.0 0.54167 0.18762 0.50000 1.0000 + Te Te940 1.0 0.54167 0.27095 0.50000 1.0000 + Te Te941 1.0 0.54167 0.35429 0.50000 1.0000 + Te Te942 1.0 0.54167 0.43762 0.50000 1.0000 + Te Te943 1.0 0.54167 0.52095 0.50000 1.0000 + Te Te944 1.0 0.54167 0.60429 0.50000 1.0000 + Te Te945 1.0 0.54167 0.68762 0.50000 1.0000 + Te Te946 1.0 0.54167 0.77095 0.50000 1.0000 + Te Te947 1.0 0.54167 0.85429 0.50000 1.0000 + Te Te948 1.0 0.54167 0.93762 0.50000 1.0000 + Te Te949 1.0 0.62500 0.02095 0.50000 1.0000 + Te Te950 1.0 0.62500 0.10429 0.50000 1.0000 + Te Te951 1.0 0.62500 0.18762 0.50000 1.0000 + Te Te952 1.0 0.62500 0.27095 0.50000 1.0000 + Te Te953 1.0 0.62500 0.35429 0.50000 1.0000 + Te Te954 1.0 0.62500 0.43762 0.50000 1.0000 + Te Te955 1.0 0.62500 0.52095 0.50000 1.0000 + Te Te956 1.0 0.62500 0.60429 0.50000 1.0000 + Te Te957 1.0 0.62500 0.68762 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Sb Sb492 1.0 0.88071 0.70375 0.30809 1.0000 + Sb Sb493 1.0 0.88071 0.76625 0.30809 1.0000 + Sb Sb494 1.0 0.88071 0.82875 0.30809 1.0000 + Sb Sb495 1.0 0.88071 0.89125 0.30809 1.0000 + Sb Sb496 1.0 0.88071 0.95375 0.30809 1.0000 + Sb Sb497 1.0 0.94321 0.01625 0.30809 1.0000 + Sb Sb498 1.0 0.94321 0.07875 0.30809 1.0000 + Sb Sb499 1.0 0.94321 0.14125 0.30809 1.0000 + Sb Sb500 1.0 0.94321 0.20375 0.30809 1.0000 + Sb Sb501 1.0 0.94321 0.26625 0.30809 1.0000 + Sb Sb502 1.0 0.94321 0.32875 0.30809 1.0000 + Sb Sb503 1.0 0.94321 0.39125 0.30809 1.0000 + Sb Sb504 1.0 0.94321 0.45375 0.30809 1.0000 + Sb Sb505 1.0 0.94321 0.51625 0.30809 1.0000 + Sb Sb506 1.0 0.94321 0.57875 0.30809 1.0000 + Sb Sb507 1.0 0.94321 0.64125 0.30809 1.0000 + Sb Sb508 1.0 0.94321 0.70375 0.30809 1.0000 + Sb Sb509 1.0 0.94321 0.76625 0.30809 1.0000 + Sb Sb510 1.0 0.94321 0.82875 0.30809 1.0000 + Sb Sb511 1.0 0.94321 0.89125 0.30809 1.0000 + Sb Sb512 1.0 0.94321 0.95375 0.30809 1.0000 + N N1 1.0 0.03692 0.05934 0.38670 1.0000 + N N2 1.0 0.03692 0.12184 0.38670 1.0000 + N N3 1.0 0.03692 0.18434 0.38670 1.0000 + N N4 1.0 0.03692 0.24684 0.38670 1.0000 + N N5 1.0 0.03692 0.30934 0.38670 1.0000 + N N6 1.0 0.03692 0.37184 0.38670 1.0000 + N N7 1.0 0.03692 0.43434 0.38670 1.0000 + N N8 1.0 0.03692 0.49684 0.38670 1.0000 + N N9 1.0 0.03692 0.55934 0.38670 1.0000 + N N10 1.0 0.03692 0.62184 0.38670 1.0000 + N N11 1.0 0.03692 0.68434 0.38670 1.0000 + N N12 1.0 0.03692 0.74684 0.38670 1.0000 + N N13 1.0 0.03692 0.80934 0.38670 1.0000 + N N14 1.0 0.03692 0.87184 0.38670 1.0000 + N N15 1.0 0.03692 0.93434 0.38670 1.0000 + N N16 1.0 0.03692 0.99684 0.38670 1.0000 + N N17 1.0 0.09942 0.05934 0.38670 1.0000 + N N18 1.0 0.09942 0.12184 0.38670 1.0000 + N N19 1.0 0.09942 0.18434 0.38670 1.0000 + N N20 1.0 0.09942 0.24684 0.38670 1.0000 + N N21 1.0 0.09942 0.30934 0.38670 1.0000 + N N22 1.0 0.09942 0.37184 0.38670 1.0000 + N N23 1.0 0.09942 0.43434 0.38670 1.0000 + N N24 1.0 0.09942 0.49684 0.38670 1.0000 + N N25 1.0 0.09942 0.55934 0.38670 1.0000 + N N26 1.0 0.09942 0.62184 0.38670 1.0000 + N N27 1.0 0.09942 0.68434 0.38670 1.0000 + N N28 1.0 0.09942 0.74684 0.38670 1.0000 + N N29 1.0 0.09942 0.80934 0.38670 1.0000 + N N30 1.0 0.09942 0.87184 0.38670 1.0000 + N N31 1.0 0.09942 0.93434 0.38670 1.0000 + N N32 1.0 0.09942 0.99684 0.38670 1.0000 + N N33 1.0 0.16192 0.05934 0.38670 1.0000 + N N34 1.0 0.16192 0.12184 0.38670 1.0000 + N N35 1.0 0.16192 0.18434 0.38670 1.0000 + N N36 1.0 0.16192 0.24684 0.38670 1.0000 + N N37 1.0 0.16192 0.30934 0.38670 1.0000 + N N38 1.0 0.16192 0.37184 0.38670 1.0000 + N N39 1.0 0.16192 0.43434 0.38670 1.0000 + N N40 1.0 0.16192 0.49684 0.38670 1.0000 + N N41 1.0 0.16192 0.55934 0.38670 1.0000 + N N42 1.0 0.16192 0.62184 0.38670 1.0000 + N N43 1.0 0.16192 0.68434 0.38670 1.0000 + N N44 1.0 0.16192 0.74684 0.38670 1.0000 + N N45 1.0 0.16192 0.80934 0.38670 1.0000 + N N46 1.0 0.16192 0.87184 0.38670 1.0000 + N N47 1.0 0.16192 0.93434 0.38670 1.0000 + N N48 1.0 0.16192 0.99684 0.38670 1.0000 + N N49 1.0 0.22442 0.05934 0.38670 1.0000 + N N50 1.0 0.22442 0.12184 0.38670 1.0000 + N N51 1.0 0.22442 0.18434 0.38670 1.0000 + N N52 1.0 0.22442 0.24684 0.38670 1.0000 + N N53 1.0 0.22442 0.30934 0.38670 1.0000 + N N54 1.0 0.22442 0.37184 0.38670 1.0000 + N N55 1.0 0.22442 0.43434 0.38670 1.0000 + N N56 1.0 0.22442 0.49684 0.38670 1.0000 + N N57 1.0 0.22442 0.55934 0.38670 1.0000 + N N58 1.0 0.22442 0.62184 0.38670 1.0000 + N N59 1.0 0.22442 0.68434 0.38670 1.0000 + N N60 1.0 0.22442 0.74684 0.38670 1.0000 + N N61 1.0 0.22442 0.80934 0.38670 1.0000 + N N62 1.0 0.22442 0.87184 0.38670 1.0000 + N N63 1.0 0.22442 0.93434 0.38670 1.0000 + N N64 1.0 0.22442 0.99684 0.38670 1.0000 + N N65 1.0 0.28692 0.05934 0.38670 1.0000 + N N66 1.0 0.28692 0.12184 0.38670 1.0000 + N N67 1.0 0.28692 0.18434 0.38670 1.0000 + N N68 1.0 0.28692 0.24684 0.38670 1.0000 + N N69 1.0 0.28692 0.30934 0.38670 1.0000 + N N70 1.0 0.28692 0.37184 0.38670 1.0000 + N N71 1.0 0.28692 0.43434 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1.0000 + N N95 1.0 0.34942 0.93434 0.38670 1.0000 + N N96 1.0 0.34942 0.99684 0.38670 1.0000 + N N97 1.0 0.41192 0.05934 0.38670 1.0000 + N N98 1.0 0.41192 0.12184 0.38670 1.0000 + N N99 1.0 0.41192 0.18434 0.38670 1.0000 + N N100 1.0 0.41192 0.24684 0.38670 1.0000 + N N101 1.0 0.41192 0.30934 0.38670 1.0000 + N N102 1.0 0.41192 0.37184 0.38670 1.0000 + N N103 1.0 0.41192 0.43434 0.38670 1.0000 + N N104 1.0 0.41192 0.49684 0.38670 1.0000 + N N105 1.0 0.41192 0.55934 0.38670 1.0000 + N N106 1.0 0.41192 0.62184 0.38670 1.0000 + N N107 1.0 0.41192 0.68434 0.38670 1.0000 + N N108 1.0 0.41192 0.74684 0.38670 1.0000 + N N109 1.0 0.41192 0.80934 0.38670 1.0000 + N N110 1.0 0.41192 0.87184 0.38670 1.0000 + N N111 1.0 0.41192 0.93434 0.38670 1.0000 + N N112 1.0 0.41192 0.99684 0.38670 1.0000 + N N113 1.0 0.47442 0.05934 0.38670 1.0000 + N N114 1.0 0.47442 0.12184 0.38670 1.0000 + N N115 1.0 0.47442 0.18434 0.38670 1.0000 + N N116 1.0 0.47442 0.24684 0.38670 1.0000 + N N117 1.0 0.47442 0.30934 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N N231 1.0 0.91192 0.43434 0.38670 1.0000 + N N232 1.0 0.91192 0.49684 0.38670 1.0000 + N N233 1.0 0.91192 0.55934 0.38670 1.0000 + N N234 1.0 0.91192 0.62184 0.38670 1.0000 + N N235 1.0 0.91192 0.68434 0.38670 1.0000 + N N236 1.0 0.91192 0.74684 0.38670 1.0000 + N N237 1.0 0.91192 0.80934 0.38670 1.0000 + N N238 1.0 0.91192 0.87184 0.38670 1.0000 + N N239 1.0 0.91192 0.93434 0.38670 1.0000 + N N240 1.0 0.91192 0.99684 0.38670 1.0000 + N N241 1.0 0.97442 0.05934 0.38670 1.0000 + N N242 1.0 0.97442 0.12184 0.38670 1.0000 + N N243 1.0 0.97442 0.18434 0.38670 1.0000 + N N244 1.0 0.97442 0.24684 0.38670 1.0000 + N N245 1.0 0.97442 0.30934 0.38670 1.0000 + N N246 1.0 0.97442 0.37184 0.38670 1.0000 + N N247 1.0 0.97442 0.43434 0.38670 1.0000 + N N248 1.0 0.97442 0.49684 0.38670 1.0000 + N N249 1.0 0.97442 0.55934 0.38670 1.0000 + N N250 1.0 0.97442 0.62184 0.38670 1.0000 + N N251 1.0 0.97442 0.68434 0.38670 1.0000 + N N252 1.0 0.97442 0.74684 0.38670 1.0000 + N N253 1.0 0.97442 0.80934 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N N503 1.0 0.94316 0.40316 0.61323 1.0000 + N N504 1.0 0.94316 0.46566 0.61323 1.0000 + N N505 1.0 0.94316 0.52816 0.61323 1.0000 + N N506 1.0 0.94316 0.59066 0.61323 1.0000 + N N507 1.0 0.94316 0.65316 0.61323 1.0000 + N N508 1.0 0.94316 0.71566 0.61323 1.0000 + N N509 1.0 0.94316 0.77816 0.61323 1.0000 + N N510 1.0 0.94316 0.84066 0.61323 1.0000 + N N511 1.0 0.94316 0.90316 0.61323 1.0000 + N N512 1.0 0.94316 0.96566 0.61323 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5219_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5219_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..904f5cdee480c3407768921469849dcd9ec4d248 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5219_supercell_12x12x1.cif @@ -0,0 +1,1177 @@ +data_image0 +_chemical_formula_structural Li144Cu288F720 +_chemical_formula_sum "Li144 Cu288 F720" +_cell_length_a 45.1435 +_cell_length_b 126.18 +_cell_length_c 5.20195 +_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 0.04153 0.02070 0.59438 1.0000 + Li Li2 1.0 0.04153 0.10404 0.59438 1.0000 + Li Li3 1.0 0.04153 0.18737 0.59438 1.0000 + Li Li4 1.0 0.04153 0.27070 0.59438 1.0000 + Li Li5 1.0 0.04153 0.35404 0.59438 1.0000 + Li Li6 1.0 0.04153 0.43737 0.59438 1.0000 + Li Li7 1.0 0.04153 0.52070 0.59438 1.0000 + Li Li8 1.0 0.04153 0.60404 0.59438 1.0000 + Li Li9 1.0 0.04153 0.68737 0.59438 1.0000 + Li Li10 1.0 0.04153 0.77070 0.59438 1.0000 + Li Li11 1.0 0.04153 0.85404 0.59438 1.0000 + Li Li12 1.0 0.04153 0.93737 0.59438 1.0000 + Li Li13 1.0 0.12487 0.02070 0.59438 1.0000 + Li Li14 1.0 0.12487 0.10404 0.59438 1.0000 + Li Li15 1.0 0.12487 0.18737 0.59438 1.0000 + Li Li16 1.0 0.12487 0.27070 0.59438 1.0000 + Li Li17 1.0 0.12487 0.35404 0.59438 1.0000 + Li Li18 1.0 0.12487 0.43737 0.59438 1.0000 + Li Li19 1.0 0.12487 0.52070 0.59438 1.0000 + Li Li20 1.0 0.12487 0.60404 0.59438 1.0000 + Li Li21 1.0 0.12487 0.68737 0.59438 1.0000 + Li Li22 1.0 0.12487 0.77070 0.59438 1.0000 + Li Li23 1.0 0.12487 0.85404 0.59438 1.0000 + Li Li24 1.0 0.12487 0.93737 0.59438 1.0000 + Li Li25 1.0 0.20820 0.02070 0.59438 1.0000 + Li Li26 1.0 0.20820 0.10404 0.59438 1.0000 + Li Li27 1.0 0.20820 0.18737 0.59438 1.0000 + Li Li28 1.0 0.20820 0.27070 0.59438 1.0000 + Li Li29 1.0 0.20820 0.35404 0.59438 1.0000 + Li Li30 1.0 0.20820 0.43737 0.59438 1.0000 + Li Li31 1.0 0.20820 0.52070 0.59438 1.0000 + Li Li32 1.0 0.20820 0.60404 0.59438 1.0000 + Li Li33 1.0 0.20820 0.68737 0.59438 1.0000 + Li Li34 1.0 0.20820 0.77070 0.59438 1.0000 + Li Li35 1.0 0.20820 0.85404 0.59438 1.0000 + Li Li36 1.0 0.20820 0.93737 0.59438 1.0000 + Li Li37 1.0 0.29153 0.02070 0.59438 1.0000 + Li Li38 1.0 0.29153 0.10404 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0.70830 0.40970 0.50014 1.0000 + Cu Cu246 1.0 0.70830 0.49303 0.50014 1.0000 + Cu Cu247 1.0 0.70830 0.57637 0.50014 1.0000 + Cu Cu248 1.0 0.70830 0.65970 0.50014 1.0000 + Cu Cu249 1.0 0.70830 0.74303 0.50014 1.0000 + Cu Cu250 1.0 0.70830 0.82637 0.50014 1.0000 + Cu Cu251 1.0 0.70830 0.90970 0.50014 1.0000 + Cu Cu252 1.0 0.70830 0.99303 0.50014 1.0000 + Cu Cu253 1.0 0.79164 0.07637 0.50014 1.0000 + Cu Cu254 1.0 0.79164 0.15970 0.50014 1.0000 + Cu Cu255 1.0 0.79164 0.24303 0.50014 1.0000 + Cu Cu256 1.0 0.79164 0.32637 0.50014 1.0000 + Cu Cu257 1.0 0.79164 0.40970 0.50014 1.0000 + Cu Cu258 1.0 0.79164 0.49303 0.50014 1.0000 + Cu Cu259 1.0 0.79164 0.57637 0.50014 1.0000 + Cu Cu260 1.0 0.79164 0.65970 0.50014 1.0000 + Cu Cu261 1.0 0.79164 0.74303 0.50014 1.0000 + Cu Cu262 1.0 0.79164 0.82637 0.50014 1.0000 + Cu Cu263 1.0 0.79164 0.90970 0.50014 1.0000 + Cu Cu264 1.0 0.79164 0.99303 0.50014 1.0000 + Cu Cu265 1.0 0.87497 0.07637 0.50014 1.0000 + Cu Cu266 1.0 0.87497 0.15970 0.50014 1.0000 + Cu Cu267 1.0 0.87497 0.24303 0.50014 1.0000 + Cu Cu268 1.0 0.87497 0.32637 0.50014 1.0000 + Cu Cu269 1.0 0.87497 0.40970 0.50014 1.0000 + Cu Cu270 1.0 0.87497 0.49303 0.50014 1.0000 + Cu Cu271 1.0 0.87497 0.57637 0.50014 1.0000 + Cu Cu272 1.0 0.87497 0.65970 0.50014 1.0000 + Cu Cu273 1.0 0.87497 0.74303 0.50014 1.0000 + Cu Cu274 1.0 0.87497 0.82637 0.50014 1.0000 + Cu Cu275 1.0 0.87497 0.90970 0.50014 1.0000 + Cu Cu276 1.0 0.87497 0.99303 0.50014 1.0000 + Cu Cu277 1.0 0.95830 0.07637 0.50014 1.0000 + Cu Cu278 1.0 0.95830 0.15970 0.50014 1.0000 + Cu Cu279 1.0 0.95830 0.24303 0.50014 1.0000 + Cu Cu280 1.0 0.95830 0.32637 0.50014 1.0000 + Cu Cu281 1.0 0.95830 0.40970 0.50014 1.0000 + Cu Cu282 1.0 0.95830 0.49303 0.50014 1.0000 + Cu Cu283 1.0 0.95830 0.57637 0.50014 1.0000 + Cu Cu284 1.0 0.95830 0.65970 0.50014 1.0000 + Cu Cu285 1.0 0.95830 0.74303 0.50014 1.0000 + Cu Cu286 1.0 0.95830 0.82637 0.50014 1.0000 + Cu Cu287 1.0 0.95830 0.90970 0.50014 1.0000 + Cu Cu288 1.0 0.95830 0.99303 0.50014 1.0000 + F F1 1.0 0.04163 0.03439 0.61553 1.0000 + F F2 1.0 0.04163 0.11772 0.61553 1.0000 + F F3 1.0 0.04163 0.20106 0.61553 1.0000 + F F4 1.0 0.04163 0.28439 0.61553 1.0000 + F F5 1.0 0.04163 0.36772 0.61553 1.0000 + F F6 1.0 0.04163 0.45106 0.61553 1.0000 + F F7 1.0 0.04163 0.53439 0.61553 1.0000 + F F8 1.0 0.04163 0.61772 0.61553 1.0000 + F F9 1.0 0.04163 0.70106 0.61553 1.0000 + F F10 1.0 0.04163 0.78439 0.61553 1.0000 + F F11 1.0 0.04163 0.86772 0.61553 1.0000 + F F12 1.0 0.04163 0.95106 0.61553 1.0000 + F F13 1.0 0.12496 0.03439 0.61553 1.0000 + F F14 1.0 0.12496 0.11772 0.61553 1.0000 + F F15 1.0 0.12496 0.20106 0.61553 1.0000 + F F16 1.0 0.12496 0.28439 0.61553 1.0000 + F F17 1.0 0.12496 0.36772 0.61553 1.0000 + F F18 1.0 0.12496 0.45106 0.61553 1.0000 + F F19 1.0 0.12496 0.53439 0.61553 1.0000 + F F20 1.0 0.12496 0.61772 0.61553 1.0000 + F F21 1.0 0.12496 0.70106 0.61553 1.0000 + F F22 1.0 0.12496 0.78439 0.61553 1.0000 + F F23 1.0 0.12496 0.86772 0.61553 1.0000 + F F24 1.0 0.12496 0.95106 0.61553 1.0000 + F F25 1.0 0.20830 0.03439 0.61553 1.0000 + F F26 1.0 0.20830 0.11772 0.61553 1.0000 + F F27 1.0 0.20830 0.20106 0.61553 1.0000 + F F28 1.0 0.20830 0.28439 0.61553 1.0000 + F F29 1.0 0.20830 0.36772 0.61553 1.0000 + F F30 1.0 0.20830 0.45106 0.61553 1.0000 + F F31 1.0 0.20830 0.53439 0.61553 1.0000 + F F32 1.0 0.20830 0.61772 0.61553 1.0000 + F F33 1.0 0.20830 0.70106 0.61553 1.0000 + F F34 1.0 0.20830 0.78439 0.61553 1.0000 + F F35 1.0 0.20830 0.86772 0.61553 1.0000 + F F36 1.0 0.20830 0.95106 0.61553 1.0000 + F F37 1.0 0.29163 0.03439 0.61553 1.0000 + F F38 1.0 0.29163 0.11772 0.61553 1.0000 + F F39 1.0 0.29163 0.20106 0.61553 1.0000 + F F40 1.0 0.29163 0.28439 0.61553 1.0000 + F F41 1.0 0.29163 0.36772 0.61553 1.0000 + F F42 1.0 0.29163 0.45106 0.61553 1.0000 + F F43 1.0 0.29163 0.53439 0.61553 1.0000 + F F44 1.0 0.29163 0.61772 0.61553 1.0000 + F F45 1.0 0.29163 0.70106 0.61553 1.0000 + F F46 1.0 0.29163 0.78439 0.61553 1.0000 + F F47 1.0 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0000000000000000000000000000000000000000..2b3c48eabd07f2393718b9a953928d7c719f5b14 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5244_supercell_12x12x1.cif @@ -0,0 +1,2041 @@ +data_image0 +_chemical_formula_structural Cu288Bi576O1152 +_chemical_formula_sum "Cu288 Bi576 O1152" +_cell_length_a 97.3275 +_cell_length_b 97.3275 +_cell_length_c 6.1355 +_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 0.00000 0.04167 0.67403 1.0000 + Cu Cu2 1.0 0.00000 0.12500 0.67403 1.0000 + Cu Cu3 1.0 0.00000 0.20833 0.67403 1.0000 + Cu Cu4 1.0 0.00000 0.29167 0.67403 1.0000 + Cu Cu5 1.0 0.00000 0.37500 0.67403 1.0000 + Cu Cu6 1.0 0.00000 0.45833 0.67403 1.0000 + Cu Cu7 1.0 0.00000 0.54167 0.67403 1.0000 + Cu Cu8 1.0 0.00000 0.62500 0.67403 1.0000 + Cu Cu9 1.0 0.00000 0.70833 0.67403 1.0000 + Cu Cu10 1.0 0.00000 0.79167 0.67403 1.0000 + Cu Cu11 1.0 0.00000 0.87500 0.67403 1.0000 + Cu Cu12 1.0 0.00000 0.95833 0.67403 1.0000 + Cu Cu13 1.0 0.08333 0.04167 0.67403 1.0000 + Cu Cu14 1.0 0.08333 0.12500 0.67403 1.0000 + Cu Cu15 1.0 0.08333 0.20833 0.67403 1.0000 + Cu Cu16 1.0 0.08333 0.29167 0.67403 1.0000 + Cu Cu17 1.0 0.08333 0.37500 0.67403 1.0000 + Cu Cu18 1.0 0.08333 0.45833 0.67403 1.0000 + Cu Cu19 1.0 0.08333 0.54167 0.67403 1.0000 + Cu Cu20 1.0 0.08333 0.62500 0.67403 1.0000 + Cu Cu21 1.0 0.08333 0.70833 0.67403 1.0000 + Cu Cu22 1.0 0.08333 0.79167 0.67403 1.0000 + Cu Cu23 1.0 0.08333 0.87500 0.67403 1.0000 + Cu Cu24 1.0 0.08333 0.95833 0.67403 1.0000 + Cu Cu25 1.0 0.16667 0.04167 0.67403 1.0000 + Cu Cu26 1.0 0.16667 0.12500 0.67403 1.0000 + Cu Cu27 1.0 0.16667 0.20833 0.67403 1.0000 + Cu Cu28 1.0 0.16667 0.29167 0.67403 1.0000 + Cu Cu29 1.0 0.16667 0.37500 0.67403 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Cu Cu52 1.0 0.33333 0.29167 0.67403 1.0000 + Cu Cu53 1.0 0.33333 0.37500 0.67403 1.0000 + Cu Cu54 1.0 0.33333 0.45833 0.67403 1.0000 + Cu Cu55 1.0 0.33333 0.54167 0.67403 1.0000 + Cu Cu56 1.0 0.33333 0.62500 0.67403 1.0000 + Cu Cu57 1.0 0.33333 0.70833 0.67403 1.0000 + Cu Cu58 1.0 0.33333 0.79167 0.67403 1.0000 + Cu Cu59 1.0 0.33333 0.87500 0.67403 1.0000 + Cu Cu60 1.0 0.33333 0.95833 0.67403 1.0000 + Cu Cu61 1.0 0.41667 0.04167 0.67403 1.0000 + Cu Cu62 1.0 0.41667 0.12500 0.67403 1.0000 + Cu Cu63 1.0 0.41667 0.20833 0.67403 1.0000 + Cu Cu64 1.0 0.41667 0.29167 0.67403 1.0000 + Cu Cu65 1.0 0.41667 0.37500 0.67403 1.0000 + Cu Cu66 1.0 0.41667 0.45833 0.67403 1.0000 + Cu Cu67 1.0 0.41667 0.54167 0.67403 1.0000 + Cu Cu68 1.0 0.41667 0.62500 0.67403 1.0000 + Cu Cu69 1.0 0.41667 0.70833 0.67403 1.0000 + Cu Cu70 1.0 0.41667 0.79167 0.67403 1.0000 + Cu Cu71 1.0 0.41667 0.87500 0.67403 1.0000 + Cu Cu72 1.0 0.41667 0.95833 0.67403 1.0000 + Cu Cu73 1.0 0.50000 0.04167 0.67403 1.0000 + Cu Cu74 1.0 0.50000 0.12500 0.67403 1.0000 + Cu Cu75 1.0 0.50000 0.20833 0.67403 1.0000 + Cu Cu76 1.0 0.50000 0.29167 0.67403 1.0000 + Cu Cu77 1.0 0.50000 0.37500 0.67403 1.0000 + Cu Cu78 1.0 0.50000 0.45833 0.67403 1.0000 + Cu Cu79 1.0 0.50000 0.54167 0.67403 1.0000 + Cu Cu80 1.0 0.50000 0.62500 0.67403 1.0000 + Cu Cu81 1.0 0.50000 0.70833 0.67403 1.0000 + Cu Cu82 1.0 0.50000 0.79167 0.67403 1.0000 + Cu Cu83 1.0 0.50000 0.87500 0.67403 1.0000 + Cu Cu84 1.0 0.50000 0.95833 0.67403 1.0000 + Cu Cu85 1.0 0.58333 0.04167 0.67403 1.0000 + Cu Cu86 1.0 0.58333 0.12500 0.67403 1.0000 + Cu Cu87 1.0 0.58333 0.20833 0.67403 1.0000 + Cu Cu88 1.0 0.58333 0.29167 0.67403 1.0000 + Cu Cu89 1.0 0.58333 0.37500 0.67403 1.0000 + Cu Cu90 1.0 0.58333 0.45833 0.67403 1.0000 + Cu Cu91 1.0 0.58333 0.54167 0.67403 1.0000 + Cu Cu92 1.0 0.58333 0.62500 0.67403 1.0000 + Cu Cu93 1.0 0.58333 0.70833 0.67403 1.0000 + Cu Cu94 1.0 0.58333 0.79167 0.67403 1.0000 + Cu Cu95 1.0 0.58333 0.87500 0.67403 1.0000 + Cu Cu96 1.0 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Cu118 1.0 0.75000 0.79167 0.67403 1.0000 + Cu Cu119 1.0 0.75000 0.87500 0.67403 1.0000 + Cu Cu120 1.0 0.75000 0.95833 0.67403 1.0000 + Cu Cu121 1.0 0.83333 0.04167 0.67403 1.0000 + Cu Cu122 1.0 0.83333 0.12500 0.67403 1.0000 + Cu Cu123 1.0 0.83333 0.20833 0.67403 1.0000 + Cu Cu124 1.0 0.83333 0.29167 0.67403 1.0000 + Cu Cu125 1.0 0.83333 0.37500 0.67403 1.0000 + Cu Cu126 1.0 0.83333 0.45833 0.67403 1.0000 + Cu Cu127 1.0 0.83333 0.54167 0.67403 1.0000 + Cu Cu128 1.0 0.83333 0.62500 0.67403 1.0000 + Cu Cu129 1.0 0.83333 0.70833 0.67403 1.0000 + Cu Cu130 1.0 0.83333 0.79167 0.67403 1.0000 + Cu Cu131 1.0 0.83333 0.87500 0.67403 1.0000 + Cu Cu132 1.0 0.83333 0.95833 0.67403 1.0000 + Cu Cu133 1.0 0.91667 0.04167 0.67403 1.0000 + Cu Cu134 1.0 0.91667 0.12500 0.67403 1.0000 + Cu Cu135 1.0 0.91667 0.20833 0.67403 1.0000 + Cu Cu136 1.0 0.91667 0.29167 0.67403 1.0000 + Cu Cu137 1.0 0.91667 0.37500 0.67403 1.0000 + Cu Cu138 1.0 0.91667 0.45833 0.67403 1.0000 + Cu Cu139 1.0 0.91667 0.54167 0.67403 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1.0000 + O O1038 1.0 0.22600 0.49186 0.35786 1.0000 + O O1039 1.0 0.22600 0.57520 0.35786 1.0000 + O O1040 1.0 0.22600 0.65853 0.35786 1.0000 + O O1041 1.0 0.22600 0.74186 0.35786 1.0000 + O O1042 1.0 0.22600 0.82520 0.35786 1.0000 + O O1043 1.0 0.22600 0.90853 0.35786 1.0000 + O O1044 1.0 0.22600 0.99186 0.35786 1.0000 + O O1045 1.0 0.30933 0.07520 0.35786 1.0000 + O O1046 1.0 0.30933 0.15853 0.35786 1.0000 + O O1047 1.0 0.30933 0.24186 0.35786 1.0000 + O O1048 1.0 0.30933 0.32520 0.35786 1.0000 + O O1049 1.0 0.30933 0.40853 0.35786 1.0000 + O O1050 1.0 0.30933 0.49186 0.35786 1.0000 + O O1051 1.0 0.30933 0.57520 0.35786 1.0000 + O O1052 1.0 0.30933 0.65853 0.35786 1.0000 + O O1053 1.0 0.30933 0.74186 0.35786 1.0000 + O O1054 1.0 0.30933 0.82520 0.35786 1.0000 + O O1055 1.0 0.30933 0.90853 0.35786 1.0000 + O O1056 1.0 0.30933 0.99186 0.35786 1.0000 + O O1057 1.0 0.39267 0.07520 0.35786 1.0000 + O O1058 1.0 0.39267 0.15853 0.35786 1.0000 + O O1059 1.0 0.39267 0.24186 0.35786 1.0000 + O O1060 1.0 0.39267 0.32520 0.35786 1.0000 + O O1061 1.0 0.39267 0.40853 0.35786 1.0000 + O O1062 1.0 0.39267 0.49186 0.35786 1.0000 + O O1063 1.0 0.39267 0.57520 0.35786 1.0000 + O O1064 1.0 0.39267 0.65853 0.35786 1.0000 + O O1065 1.0 0.39267 0.74186 0.35786 1.0000 + O O1066 1.0 0.39267 0.82520 0.35786 1.0000 + O O1067 1.0 0.39267 0.90853 0.35786 1.0000 + O O1068 1.0 0.39267 0.99186 0.35786 1.0000 + O O1069 1.0 0.47600 0.07520 0.35786 1.0000 + O O1070 1.0 0.47600 0.15853 0.35786 1.0000 + O O1071 1.0 0.47600 0.24186 0.35786 1.0000 + O O1072 1.0 0.47600 0.32520 0.35786 1.0000 + O O1073 1.0 0.47600 0.40853 0.35786 1.0000 + O O1074 1.0 0.47600 0.49186 0.35786 1.0000 + O O1075 1.0 0.47600 0.57520 0.35786 1.0000 + O O1076 1.0 0.47600 0.65853 0.35786 1.0000 + O O1077 1.0 0.47600 0.74186 0.35786 1.0000 + O O1078 1.0 0.47600 0.82520 0.35786 1.0000 + O O1079 1.0 0.47600 0.90853 0.35786 1.0000 + O O1080 1.0 0.47600 0.99186 0.35786 1.0000 + O O1081 1.0 0.55933 0.07520 0.35786 1.0000 + O O1082 1.0 0.55933 0.15853 0.35786 1.0000 + O O1083 1.0 0.55933 0.24186 0.35786 1.0000 + O O1084 1.0 0.55933 0.32520 0.35786 1.0000 + O O1085 1.0 0.55933 0.40853 0.35786 1.0000 + O O1086 1.0 0.55933 0.49186 0.35786 1.0000 + O O1087 1.0 0.55933 0.57520 0.35786 1.0000 + O O1088 1.0 0.55933 0.65853 0.35786 1.0000 + O O1089 1.0 0.55933 0.74186 0.35786 1.0000 + O O1090 1.0 0.55933 0.82520 0.35786 1.0000 + O O1091 1.0 0.55933 0.90853 0.35786 1.0000 + O O1092 1.0 0.55933 0.99186 0.35786 1.0000 + O O1093 1.0 0.64267 0.07520 0.35786 1.0000 + O O1094 1.0 0.64267 0.15853 0.35786 1.0000 + O O1095 1.0 0.64267 0.24186 0.35786 1.0000 + O O1096 1.0 0.64267 0.32520 0.35786 1.0000 + O O1097 1.0 0.64267 0.40853 0.35786 1.0000 + O O1098 1.0 0.64267 0.49186 0.35786 1.0000 + O O1099 1.0 0.64267 0.57520 0.35786 1.0000 + O O1100 1.0 0.64267 0.65853 0.35786 1.0000 + O O1101 1.0 0.64267 0.74186 0.35786 1.0000 + O O1102 1.0 0.64267 0.82520 0.35786 1.0000 + O O1103 1.0 0.64267 0.90853 0.35786 1.0000 + O O1104 1.0 0.64267 0.99186 0.35786 1.0000 + O O1105 1.0 0.72600 0.07520 0.35786 1.0000 + O O1106 1.0 0.72600 0.15853 0.35786 1.0000 + O O1107 1.0 0.72600 0.24186 0.35786 1.0000 + O O1108 1.0 0.72600 0.32520 0.35786 1.0000 + O O1109 1.0 0.72600 0.40853 0.35786 1.0000 + O O1110 1.0 0.72600 0.49186 0.35786 1.0000 + O O1111 1.0 0.72600 0.57520 0.35786 1.0000 + O O1112 1.0 0.72600 0.65853 0.35786 1.0000 + O O1113 1.0 0.72600 0.74186 0.35786 1.0000 + O O1114 1.0 0.72600 0.82520 0.35786 1.0000 + O O1115 1.0 0.72600 0.90853 0.35786 1.0000 + O O1116 1.0 0.72600 0.99186 0.35786 1.0000 + O O1117 1.0 0.80933 0.07520 0.35786 1.0000 + O O1118 1.0 0.80933 0.15853 0.35786 1.0000 + O O1119 1.0 0.80933 0.24186 0.35786 1.0000 + O O1120 1.0 0.80933 0.32520 0.35786 1.0000 + O O1121 1.0 0.80933 0.40853 0.35786 1.0000 + O O1122 1.0 0.80933 0.49186 0.35786 1.0000 + O O1123 1.0 0.80933 0.57520 0.35786 1.0000 + O O1124 1.0 0.80933 0.65853 0.35786 1.0000 + O O1125 1.0 0.80933 0.74186 0.35786 1.0000 + O O1126 1.0 0.80933 0.82520 0.35786 1.0000 + O O1127 1.0 0.80933 0.90853 0.35786 1.0000 + O O1128 1.0 0.80933 0.99186 0.35786 1.0000 + O O1129 1.0 0.89267 0.07520 0.35786 1.0000 + O O1130 1.0 0.89267 0.15853 0.35786 1.0000 + O O1131 1.0 0.89267 0.24186 0.35786 1.0000 + O O1132 1.0 0.89267 0.32520 0.35786 1.0000 + O O1133 1.0 0.89267 0.40853 0.35786 1.0000 + O O1134 1.0 0.89267 0.49186 0.35786 1.0000 + O O1135 1.0 0.89267 0.57520 0.35786 1.0000 + O O1136 1.0 0.89267 0.65853 0.35786 1.0000 + O O1137 1.0 0.89267 0.74186 0.35786 1.0000 + O O1138 1.0 0.89267 0.82520 0.35786 1.0000 + O O1139 1.0 0.89267 0.90853 0.35786 1.0000 + O O1140 1.0 0.89267 0.99186 0.35786 1.0000 + O O1141 1.0 0.97600 0.07520 0.35786 1.0000 + O O1142 1.0 0.97600 0.15853 0.35786 1.0000 + O O1143 1.0 0.97600 0.24186 0.35786 1.0000 + O O1144 1.0 0.97600 0.32520 0.35786 1.0000 + O O1145 1.0 0.97600 0.40853 0.35786 1.0000 + O O1146 1.0 0.97600 0.49186 0.35786 1.0000 + O O1147 1.0 0.97600 0.57520 0.35786 1.0000 + O O1148 1.0 0.97600 0.65853 0.35786 1.0000 + O O1149 1.0 0.97600 0.74186 0.35786 1.0000 + O O1150 1.0 0.97600 0.82520 0.35786 1.0000 + O O1151 1.0 0.97600 0.90853 0.35786 1.0000 + O O1152 1.0 0.97600 0.99186 0.35786 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5253_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5253_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..710a3e24d19810560059bf17a18b8e52a9a3ec33 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5253_supercell_12x12x1.cif @@ -0,0 +1,3481 @@ +data_image0 +_chemical_formula_structural Mn432Cu144O1152Mn432Cu144O1152 +_chemical_formula_sum "Mn864 Cu288 O2304" +_cell_length_a 121.045 +_cell_length_b 69.924 +_cell_length_c 5.93108 +_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 0.47917 0.52083 0.50000 1.0000 + Mn Mn2 1.0 0.93750 0.06250 0.50000 1.0000 + Mn Mn3 1.0 0.89583 0.10417 0.50000 1.0000 + Mn Mn4 1.0 0.85417 0.14583 0.50000 1.0000 + Mn Mn5 1.0 0.81250 0.18750 0.50000 1.0000 + Mn Mn6 1.0 0.77083 0.22917 0.50000 1.0000 + Mn Mn7 1.0 0.22917 0.77083 0.50000 1.0000 + Mn Mn8 1.0 0.68750 0.31250 0.50000 1.0000 + Mn Mn9 1.0 0.64583 0.35417 0.50000 1.0000 + Mn Mn10 1.0 0.60417 0.39583 0.50000 1.0000 + Mn Mn11 1.0 0.56250 0.43750 0.50000 1.0000 + Mn Mn12 1.0 0.52083 0.47917 0.50000 1.0000 + Mn Mn13 1.0 0.02083 0.06250 0.50000 1.0000 + Mn Mn14 1.0 0.97917 0.10417 0.50000 1.0000 + Mn Mn15 1.0 0.93750 0.14583 0.50000 1.0000 + Mn Mn16 1.0 0.89583 0.18750 0.50000 1.0000 + Mn Mn17 1.0 0.85417 0.22917 0.50000 1.0000 + Mn Mn18 1.0 0.81250 0.27083 0.50000 1.0000 + Mn Mn19 1.0 0.77083 0.31250 0.50000 1.0000 + Mn Mn20 1.0 0.72917 0.35417 0.50000 1.0000 + Mn Mn21 1.0 0.68750 0.39583 0.50000 1.0000 + Mn Mn22 1.0 0.64583 0.43750 0.50000 1.0000 + Mn Mn23 1.0 0.60417 0.47917 0.50000 1.0000 + Mn Mn24 1.0 0.56250 0.52083 0.50000 1.0000 + Mn Mn25 1.0 0.06250 0.10417 0.50000 1.0000 + Mn Mn26 1.0 0.02083 0.14583 0.50000 1.0000 + Mn Mn27 1.0 0.97917 0.18750 0.50000 1.0000 + Mn Mn28 1.0 0.93750 0.22917 0.50000 1.0000 + Mn Mn29 1.0 0.89583 0.27083 0.50000 1.0000 + Mn Mn30 1.0 0.85417 0.31250 0.50000 1.0000 + Mn Mn31 1.0 0.81250 0.35417 0.50000 1.0000 + Mn Mn32 1.0 0.77083 0.39583 0.50000 1.0000 + Mn Mn33 1.0 0.72917 0.43750 0.50000 1.0000 + Mn Mn34 1.0 0.68750 0.47917 0.50000 1.0000 + Mn Mn35 1.0 0.64583 0.52083 0.50000 1.0000 + Mn Mn36 1.0 0.60417 0.56250 0.50000 1.0000 + Mn Mn37 1.0 0.10417 0.14583 0.50000 1.0000 + Mn Mn38 1.0 0.06250 0.18750 0.50000 1.0000 + Mn Mn39 1.0 0.02083 0.22917 0.50000 1.0000 + Mn Mn40 1.0 0.97917 0.27083 0.50000 1.0000 + Mn Mn41 1.0 0.93750 0.31250 0.50000 1.0000 + Mn Mn42 1.0 0.89583 0.35417 0.50000 1.0000 + Mn Mn43 1.0 0.85417 0.39583 0.50000 1.0000 + Mn Mn44 1.0 0.81250 0.43750 0.50000 1.0000 + Mn Mn45 1.0 0.77083 0.47917 0.50000 1.0000 + Mn Mn46 1.0 0.72917 0.52083 0.50000 1.0000 + Mn Mn47 1.0 0.68750 0.56250 0.50000 1.0000 + Mn Mn48 1.0 0.64583 0.60417 0.50000 1.0000 + Mn Mn49 1.0 0.14583 0.18750 0.50000 1.0000 + Mn Mn50 1.0 0.10417 0.22917 0.50000 1.0000 + Mn Mn51 1.0 0.06250 0.27083 0.50000 1.0000 + Mn Mn52 1.0 0.02083 0.31250 0.50000 1.0000 + Mn Mn53 1.0 0.97917 0.35417 0.50000 1.0000 + Mn Mn54 1.0 0.93750 0.39583 0.50000 1.0000 + Mn Mn55 1.0 0.89583 0.43750 0.50000 1.0000 + Mn Mn56 1.0 0.85417 0.47917 0.50000 1.0000 + Mn Mn57 1.0 0.81250 0.52083 0.50000 1.0000 + Mn Mn58 1.0 0.77083 0.56250 0.50000 1.0000 + Mn Mn59 1.0 0.72917 0.60417 0.50000 1.0000 + Mn Mn60 1.0 0.68750 0.64583 0.50000 1.0000 + Mn Mn61 1.0 0.18750 0.22917 0.50000 1.0000 + Mn Mn62 1.0 0.14583 0.27083 0.50000 1.0000 + Mn Mn63 1.0 0.10417 0.31250 0.50000 1.0000 + Mn Mn64 1.0 0.06250 0.35417 0.50000 1.0000 + Mn Mn65 1.0 0.02083 0.39583 0.50000 1.0000 + Mn Mn66 1.0 0.97917 0.43750 0.50000 1.0000 + Mn Mn67 1.0 0.93750 0.47917 0.50000 1.0000 + Mn Mn68 1.0 0.89583 0.52083 0.50000 1.0000 + Mn Mn69 1.0 0.85417 0.56250 0.50000 1.0000 + Mn Mn70 1.0 0.81250 0.60417 0.50000 1.0000 + Mn Mn71 1.0 0.77083 0.64583 0.50000 1.0000 + Mn Mn72 1.0 0.72917 0.68750 0.50000 1.0000 + Mn Mn73 1.0 0.22917 0.27083 0.50000 1.0000 + Mn Mn74 1.0 0.18750 0.31250 0.50000 1.0000 + Mn Mn75 1.0 0.14583 0.35417 0.50000 1.0000 + Mn Mn76 1.0 0.10417 0.39583 0.50000 1.0000 + Mn Mn77 1.0 0.06250 0.43750 0.50000 1.0000 + Mn Mn78 1.0 0.02083 0.47917 0.50000 1.0000 + Mn Mn79 1.0 0.97917 0.52083 0.50000 1.0000 + Mn Mn80 1.0 0.93750 0.56250 0.50000 1.0000 + Mn Mn81 1.0 0.89583 0.60417 0.50000 1.0000 + Mn Mn82 1.0 0.85417 0.64583 0.50000 1.0000 + Mn Mn83 1.0 0.81250 0.68750 0.50000 1.0000 + Mn Mn84 1.0 0.77083 0.72917 0.50000 1.0000 + Mn Mn85 1.0 0.27083 0.31250 0.50000 1.0000 + Mn Mn86 1.0 0.22917 0.35417 0.50000 1.0000 + Mn Mn87 1.0 0.18750 0.39583 0.50000 1.0000 + Mn Mn88 1.0 0.14583 0.43750 0.50000 1.0000 + Mn Mn89 1.0 0.10417 0.47917 0.50000 1.0000 + Mn Mn90 1.0 0.06250 0.52083 0.50000 1.0000 + Mn Mn91 1.0 0.02083 0.56250 0.50000 1.0000 + Mn Mn92 1.0 0.97917 0.60417 0.50000 1.0000 + Mn Mn93 1.0 0.93750 0.64583 0.50000 1.0000 + Mn Mn94 1.0 0.89583 0.68750 0.50000 1.0000 + Mn Mn95 1.0 0.85417 0.72917 0.50000 1.0000 + Mn Mn96 1.0 0.81250 0.77083 0.50000 1.0000 + Mn Mn97 1.0 0.31250 0.35417 0.50000 1.0000 + Mn Mn98 1.0 0.27083 0.39583 0.50000 1.0000 + Mn Mn99 1.0 0.22917 0.43750 0.50000 1.0000 + Mn Mn100 1.0 0.18750 0.47917 0.50000 1.0000 + Mn Mn101 1.0 0.14583 0.52083 0.50000 1.0000 + Mn Mn102 1.0 0.10417 0.56250 0.50000 1.0000 + Mn Mn103 1.0 0.06250 0.60417 0.50000 1.0000 + Mn Mn104 1.0 0.02083 0.64583 0.50000 1.0000 + Mn Mn105 1.0 0.97917 0.68750 0.50000 1.0000 + Mn Mn106 1.0 0.93750 0.72917 0.50000 1.0000 + Mn Mn107 1.0 0.89583 0.77083 0.50000 1.0000 + Mn Mn108 1.0 0.85417 0.81250 0.50000 1.0000 + Mn Mn109 1.0 0.35417 0.39583 0.50000 1.0000 + Mn Mn110 1.0 0.31250 0.43750 0.50000 1.0000 + Mn Mn111 1.0 0.27083 0.47917 0.50000 1.0000 + Mn Mn112 1.0 0.22917 0.52083 0.50000 1.0000 + Mn Mn113 1.0 0.18750 0.56250 0.50000 1.0000 + Mn Mn114 1.0 0.14583 0.60417 0.50000 1.0000 + Mn Mn115 1.0 0.10417 0.64583 0.50000 1.0000 + Mn Mn116 1.0 0.06250 0.68750 0.50000 1.0000 + Mn Mn117 1.0 0.02083 0.72917 0.50000 1.0000 + Mn Mn118 1.0 0.97917 0.77083 0.50000 1.0000 + Mn Mn119 1.0 0.93750 0.81250 0.50000 1.0000 + Mn Mn120 1.0 0.89583 0.85417 0.50000 1.0000 + Mn Mn121 1.0 0.39583 0.43750 0.50000 1.0000 + Mn Mn122 1.0 0.35417 0.47917 0.50000 1.0000 + Mn Mn123 1.0 0.31250 0.52083 0.50000 1.0000 + Mn Mn124 1.0 0.27083 0.56250 0.50000 1.0000 + Mn Mn125 1.0 0.22917 0.60417 0.50000 1.0000 + Mn Mn126 1.0 0.18750 0.64583 0.50000 1.0000 + Mn Mn127 1.0 0.14583 0.68750 0.50000 1.0000 + Mn Mn128 1.0 0.10417 0.72917 0.50000 1.0000 + Mn Mn129 1.0 0.06250 0.77083 0.50000 1.0000 + Mn Mn130 1.0 0.02083 0.81250 0.50000 1.0000 + Mn Mn131 1.0 0.97917 0.85417 0.50000 1.0000 + Mn Mn132 1.0 0.93750 0.89583 0.50000 1.0000 + Mn Mn133 1.0 0.43750 0.47917 0.50000 1.0000 + Mn Mn134 1.0 0.39583 0.52083 0.50000 1.0000 + Mn Mn135 1.0 0.35417 0.56250 0.50000 1.0000 + Mn Mn136 1.0 0.31250 0.60417 0.50000 1.0000 + Mn Mn137 1.0 0.27083 0.64583 0.50000 1.0000 + Mn Mn138 1.0 0.22917 0.68750 0.50000 1.0000 + Mn Mn139 1.0 0.18750 0.72917 0.50000 1.0000 + Mn Mn140 1.0 0.14583 0.77083 0.50000 1.0000 + Mn Mn141 1.0 0.10417 0.81250 0.50000 1.0000 + Mn Mn142 1.0 0.06250 0.85417 0.50000 1.0000 + Mn Mn143 1.0 0.02083 0.89583 0.50000 1.0000 + Mn Mn144 1.0 0.97917 0.93750 0.50000 1.0000 + Mn Mn145 1.0 0.02083 0.02083 0.50000 1.0000 + Mn Mn146 1.0 0.97917 0.06250 0.50000 1.0000 + Mn Mn147 1.0 0.93750 0.10417 0.50000 1.0000 + Mn Mn148 1.0 0.89583 0.14583 0.50000 1.0000 + Mn Mn149 1.0 0.85417 0.18750 0.50000 1.0000 + Mn Mn150 1.0 0.81250 0.22917 0.50000 1.0000 + Mn Mn151 1.0 0.77083 0.27083 0.50000 1.0000 + Mn Mn152 1.0 0.72917 0.31250 0.50000 1.0000 + Mn Mn153 1.0 0.68750 0.35417 0.50000 1.0000 + Mn Mn154 1.0 0.64583 0.39583 0.50000 1.0000 + Mn Mn155 1.0 0.60417 0.43750 0.50000 1.0000 + Mn Mn156 1.0 0.56250 0.47917 0.50000 1.0000 + Mn Mn157 1.0 0.06250 0.06250 0.50000 1.0000 + Mn Mn158 1.0 0.02083 0.10417 0.50000 1.0000 + Mn Mn159 1.0 0.97917 0.14583 0.50000 1.0000 + Mn Mn160 1.0 0.93750 0.18750 0.50000 1.0000 + Mn Mn161 1.0 0.89583 0.22917 0.50000 1.0000 + Mn Mn162 1.0 0.85417 0.27083 0.50000 1.0000 + Mn Mn163 1.0 0.81250 0.31250 0.50000 1.0000 + Mn Mn164 1.0 0.77083 0.35417 0.50000 1.0000 + Mn Mn165 1.0 0.72917 0.39583 0.50000 1.0000 + Mn Mn166 1.0 0.68750 0.43750 0.50000 1.0000 + Mn Mn167 1.0 0.64583 0.47917 0.50000 1.0000 + Mn Mn168 1.0 0.60417 0.52083 0.50000 1.0000 + Mn Mn169 1.0 0.10417 0.10417 0.50000 1.0000 + Mn Mn170 1.0 0.06250 0.14583 0.50000 1.0000 + Mn Mn171 1.0 0.02083 0.18750 0.50000 1.0000 + Mn Mn172 1.0 0.97917 0.22917 0.50000 1.0000 + Mn Mn173 1.0 0.93750 0.27083 0.50000 1.0000 + Mn Mn174 1.0 0.89583 0.31250 0.50000 1.0000 + Mn Mn175 1.0 0.85417 0.35417 0.50000 1.0000 + Mn Mn176 1.0 0.81250 0.39583 0.50000 1.0000 + Mn Mn177 1.0 0.77083 0.43750 0.50000 1.0000 + Mn Mn178 1.0 0.72917 0.47917 0.50000 1.0000 + Mn Mn179 1.0 0.68750 0.52083 0.50000 1.0000 + Mn Mn180 1.0 0.64583 0.56250 0.50000 1.0000 + Mn Mn181 1.0 0.14583 0.14583 0.50000 1.0000 + Mn Mn182 1.0 0.10417 0.18750 0.50000 1.0000 + Mn Mn183 1.0 0.06250 0.22917 0.50000 1.0000 + Mn Mn184 1.0 0.02083 0.27083 0.50000 1.0000 + Mn Mn185 1.0 0.97917 0.31250 0.50000 1.0000 + Mn Mn186 1.0 0.93750 0.35417 0.50000 1.0000 + Mn Mn187 1.0 0.89583 0.39583 0.50000 1.0000 + Mn Mn188 1.0 0.85417 0.43750 0.50000 1.0000 + Mn Mn189 1.0 0.81250 0.47917 0.50000 1.0000 + Mn Mn190 1.0 0.77083 0.52083 0.50000 1.0000 + Mn Mn191 1.0 0.72917 0.56250 0.50000 1.0000 + Mn Mn192 1.0 0.68750 0.60417 0.50000 1.0000 + Mn Mn193 1.0 0.18750 0.18750 0.50000 1.0000 + Mn Mn194 1.0 0.14583 0.22917 0.50000 1.0000 + Mn Mn195 1.0 0.10417 0.27083 0.50000 1.0000 + Mn Mn196 1.0 0.06250 0.31250 0.50000 1.0000 + Mn Mn197 1.0 0.02083 0.35417 0.50000 1.0000 + Mn Mn198 1.0 0.97917 0.39583 0.50000 1.0000 + Mn Mn199 1.0 0.93750 0.43750 0.50000 1.0000 + Mn Mn200 1.0 0.89583 0.47917 0.50000 1.0000 + Mn Mn201 1.0 0.85417 0.52083 0.50000 1.0000 + Mn Mn202 1.0 0.81250 0.56250 0.50000 1.0000 + Mn Mn203 1.0 0.77083 0.60417 0.50000 1.0000 + Mn Mn204 1.0 0.72917 0.64583 0.50000 1.0000 + Mn Mn205 1.0 0.22917 0.22917 0.50000 1.0000 + Mn Mn206 1.0 0.18750 0.27083 0.50000 1.0000 + Mn Mn207 1.0 0.14583 0.31250 0.50000 1.0000 + Mn Mn208 1.0 0.10417 0.35417 0.50000 1.0000 + Mn Mn209 1.0 0.06250 0.39583 0.50000 1.0000 + Mn Mn210 1.0 0.02083 0.43750 0.50000 1.0000 + Mn Mn211 1.0 0.97917 0.47917 0.50000 1.0000 + Mn Mn212 1.0 0.93750 0.52083 0.50000 1.0000 + Mn Mn213 1.0 0.89583 0.56250 0.50000 1.0000 + Mn Mn214 1.0 0.85417 0.60417 0.50000 1.0000 + Mn Mn215 1.0 0.81250 0.64583 0.50000 1.0000 + Mn Mn216 1.0 0.77083 0.68750 0.50000 1.0000 + Mn Mn217 1.0 0.27083 0.27083 0.50000 1.0000 + Mn Mn218 1.0 0.22917 0.31250 0.50000 1.0000 + Mn Mn219 1.0 0.18750 0.35417 0.50000 1.0000 + Mn Mn220 1.0 0.14583 0.39583 0.50000 1.0000 + Mn Mn221 1.0 0.10417 0.43750 0.50000 1.0000 + Mn Mn222 1.0 0.06250 0.47917 0.50000 1.0000 + Mn Mn223 1.0 0.02083 0.52083 0.50000 1.0000 + Mn Mn224 1.0 0.97917 0.56250 0.50000 1.0000 + Mn Mn225 1.0 0.93750 0.60417 0.50000 1.0000 + Mn Mn226 1.0 0.89583 0.64583 0.50000 1.0000 + Mn Mn227 1.0 0.85417 0.68750 0.50000 1.0000 + Mn Mn228 1.0 0.81250 0.72917 0.50000 1.0000 + Mn Mn229 1.0 0.31250 0.31250 0.50000 1.0000 + Mn Mn230 1.0 0.27083 0.35417 0.50000 1.0000 + Mn Mn231 1.0 0.22917 0.39583 0.50000 1.0000 + Mn Mn232 1.0 0.18750 0.43750 0.50000 1.0000 + Mn Mn233 1.0 0.14583 0.47917 0.50000 1.0000 + Mn Mn234 1.0 0.10417 0.52083 0.50000 1.0000 + Mn Mn235 1.0 0.06250 0.56250 0.50000 1.0000 + Mn Mn236 1.0 0.02083 0.60417 0.50000 1.0000 + Mn Mn237 1.0 0.97917 0.64583 0.50000 1.0000 + Mn Mn238 1.0 0.93750 0.68750 0.50000 1.0000 + Mn Mn239 1.0 0.89583 0.72917 0.50000 1.0000 + Mn Mn240 1.0 0.85417 0.77083 0.50000 1.0000 + Mn Mn241 1.0 0.35417 0.35417 0.50000 1.0000 + Mn Mn242 1.0 0.31250 0.39583 0.50000 1.0000 + Mn Mn243 1.0 0.27083 0.43750 0.50000 1.0000 + Mn Mn244 1.0 0.22917 0.47917 0.50000 1.0000 + Mn Mn245 1.0 0.18750 0.52083 0.50000 1.0000 + Mn Mn246 1.0 0.14583 0.56250 0.50000 1.0000 + Mn Mn247 1.0 0.10417 0.60417 0.50000 1.0000 + Mn Mn248 1.0 0.06250 0.64583 0.50000 1.0000 + Mn Mn249 1.0 0.02083 0.68750 0.50000 1.0000 + Mn Mn250 1.0 0.97917 0.72917 0.50000 1.0000 + Mn Mn251 1.0 0.93750 0.77083 0.50000 1.0000 + Mn Mn252 1.0 0.89583 0.81250 0.50000 1.0000 + Mn Mn253 1.0 0.39583 0.39583 0.50000 1.0000 + Mn Mn254 1.0 0.35417 0.43750 0.50000 1.0000 + Mn Mn255 1.0 0.31250 0.47917 0.50000 1.0000 + Mn Mn256 1.0 0.27083 0.52083 0.50000 1.0000 + Mn Mn257 1.0 0.22917 0.56250 0.50000 1.0000 + Mn Mn258 1.0 0.18750 0.60417 0.50000 1.0000 + Mn Mn259 1.0 0.14583 0.64583 0.50000 1.0000 + Mn Mn260 1.0 0.10417 0.68750 0.50000 1.0000 + Mn Mn261 1.0 0.06250 0.72917 0.50000 1.0000 + Mn Mn262 1.0 0.02083 0.77083 0.50000 1.0000 + Mn Mn263 1.0 0.97917 0.81250 0.50000 1.0000 + Mn Mn264 1.0 0.93750 0.85417 0.50000 1.0000 + Mn Mn265 1.0 0.43750 0.43750 0.50000 1.0000 + Mn Mn266 1.0 0.39583 0.47917 0.50000 1.0000 + Mn Mn267 1.0 0.35417 0.52083 0.50000 1.0000 + Mn Mn268 1.0 0.31250 0.56250 0.50000 1.0000 + Mn Mn269 1.0 0.27083 0.60417 0.50000 1.0000 + Mn Mn270 1.0 0.22917 0.64583 0.50000 1.0000 + Mn Mn271 1.0 0.18750 0.68750 0.50000 1.0000 + Mn Mn272 1.0 0.14583 0.72917 0.50000 1.0000 + Mn Mn273 1.0 0.10417 0.77083 0.50000 1.0000 + Mn Mn274 1.0 0.06250 0.81250 0.50000 1.0000 + Mn Mn275 1.0 0.02083 0.85417 0.50000 1.0000 + Mn Mn276 1.0 0.97917 0.89583 0.50000 1.0000 + Mn Mn277 1.0 0.47917 0.47917 0.50000 1.0000 + Mn Mn278 1.0 0.43750 0.52083 0.50000 1.0000 + Mn Mn279 1.0 0.39583 0.56250 0.50000 1.0000 + Mn Mn280 1.0 0.35417 0.60417 0.50000 1.0000 + Mn Mn281 1.0 0.31250 0.64583 0.50000 1.0000 + Mn Mn282 1.0 0.27083 0.68750 0.50000 1.0000 + Mn Mn283 1.0 0.22917 0.72917 0.50000 1.0000 + Mn Mn284 1.0 0.18750 0.77083 0.50000 1.0000 + Mn Mn285 1.0 0.14583 0.81250 0.50000 1.0000 + Mn Mn286 1.0 0.10417 0.85417 0.50000 1.0000 + Mn Mn287 1.0 0.06250 0.89583 0.50000 1.0000 + Mn Mn288 1.0 0.02083 0.93750 0.50000 1.0000 + Mn Mn289 1.0 0.00000 0.00000 0.50000 1.0000 + Mn Mn290 1.0 0.45833 0.54167 0.50000 1.0000 + Mn Mn291 1.0 0.41667 0.58333 0.50000 1.0000 + Mn Mn292 1.0 0.87500 0.12500 0.50000 1.0000 + Mn Mn293 1.0 0.33333 0.66667 0.50000 1.0000 + Mn Mn294 1.0 0.79167 0.20833 0.50000 1.0000 + Mn Mn295 1.0 0.75000 0.25000 0.50000 1.0000 + Mn Mn296 1.0 0.70833 0.29167 0.50000 1.0000 + Mn Mn297 1.0 0.16667 0.83333 0.50000 1.0000 + Mn Mn298 1.0 0.62500 0.37500 0.50000 1.0000 + Mn Mn299 1.0 0.58333 0.41667 0.50000 1.0000 + Mn Mn300 1.0 0.54167 0.45833 0.50000 1.0000 + Mn Mn301 1.0 0.04167 0.04167 0.50000 1.0000 + Mn Mn302 1.0 0.00000 0.08333 0.50000 1.0000 + Mn Mn303 1.0 0.95833 0.12500 0.50000 1.0000 + Mn Mn304 1.0 0.91667 0.16667 0.50000 1.0000 + Mn Mn305 1.0 0.87500 0.20833 0.50000 1.0000 + Mn Mn306 1.0 0.83333 0.25000 0.50000 1.0000 + Mn Mn307 1.0 0.79167 0.29167 0.50000 1.0000 + Mn Mn308 1.0 0.75000 0.33333 0.50000 1.0000 + Mn Mn309 1.0 0.70833 0.37500 0.50000 1.0000 + Mn Mn310 1.0 0.66667 0.41667 0.50000 1.0000 + Mn Mn311 1.0 0.62500 0.45833 0.50000 1.0000 + Mn Mn312 1.0 0.58333 0.50000 0.50000 1.0000 + Mn Mn313 1.0 0.08333 0.08333 0.50000 1.0000 + Mn Mn314 1.0 0.04167 0.12500 0.50000 1.0000 + Mn Mn315 1.0 0.00000 0.16667 0.50000 1.0000 + Mn Mn316 1.0 0.95833 0.20833 0.50000 1.0000 + Mn Mn317 1.0 0.91667 0.25000 0.50000 1.0000 + Mn Mn318 1.0 0.87500 0.29167 0.50000 1.0000 + Mn Mn319 1.0 0.83333 0.33333 0.50000 1.0000 + Mn Mn320 1.0 0.79167 0.37500 0.50000 1.0000 + Mn Mn321 1.0 0.75000 0.41667 0.50000 1.0000 + Mn Mn322 1.0 0.70833 0.45833 0.50000 1.0000 + Mn Mn323 1.0 0.66667 0.50000 0.50000 1.0000 + Mn Mn324 1.0 0.62500 0.54167 0.50000 1.0000 + Mn Mn325 1.0 0.12500 0.12500 0.50000 1.0000 + Mn Mn326 1.0 0.08333 0.16667 0.50000 1.0000 + Mn Mn327 1.0 0.04167 0.20833 0.50000 1.0000 + Mn Mn328 1.0 0.00000 0.25000 0.50000 1.0000 + Mn Mn329 1.0 0.95833 0.29167 0.50000 1.0000 + Mn Mn330 1.0 0.91667 0.33333 0.50000 1.0000 + Mn Mn331 1.0 0.87500 0.37500 0.50000 1.0000 + Mn Mn332 1.0 0.83333 0.41667 0.50000 1.0000 + Mn Mn333 1.0 0.79167 0.45833 0.50000 1.0000 + Mn Mn334 1.0 0.75000 0.50000 0.50000 1.0000 + Mn Mn335 1.0 0.70833 0.54167 0.50000 1.0000 + Mn Mn336 1.0 0.66667 0.58333 0.50000 1.0000 + Mn Mn337 1.0 0.16667 0.16667 0.50000 1.0000 + Mn Mn338 1.0 0.12500 0.20833 0.50000 1.0000 + Mn Mn339 1.0 0.08333 0.25000 0.50000 1.0000 + Mn Mn340 1.0 0.04167 0.29167 0.50000 1.0000 + Mn Mn341 1.0 0.00000 0.33333 0.50000 1.0000 + Mn Mn342 1.0 0.95833 0.37500 0.50000 1.0000 + Mn Mn343 1.0 0.91667 0.41667 0.50000 1.0000 + Mn Mn344 1.0 0.87500 0.45833 0.50000 1.0000 + Mn Mn345 1.0 0.83333 0.50000 0.50000 1.0000 + Mn Mn346 1.0 0.79167 0.54167 0.50000 1.0000 + Mn Mn347 1.0 0.75000 0.58333 0.50000 1.0000 + Mn Mn348 1.0 0.70833 0.62500 0.50000 1.0000 + Mn Mn349 1.0 0.20833 0.20833 0.50000 1.0000 + Mn Mn350 1.0 0.16667 0.25000 0.50000 1.0000 + Mn Mn351 1.0 0.12500 0.29167 0.50000 1.0000 + Mn Mn352 1.0 0.08333 0.33333 0.50000 1.0000 + Mn Mn353 1.0 0.04167 0.37500 0.50000 1.0000 + Mn Mn354 1.0 0.00000 0.41667 0.50000 1.0000 + Mn Mn355 1.0 0.95833 0.45833 0.50000 1.0000 + Mn Mn356 1.0 0.91667 0.50000 0.50000 1.0000 + Mn Mn357 1.0 0.87500 0.54167 0.50000 1.0000 + Mn Mn358 1.0 0.83333 0.58333 0.50000 1.0000 + Mn Mn359 1.0 0.79167 0.62500 0.50000 1.0000 + Mn Mn360 1.0 0.75000 0.66667 0.50000 1.0000 + Mn Mn361 1.0 0.25000 0.25000 0.50000 1.0000 + Mn Mn362 1.0 0.20833 0.29167 0.50000 1.0000 + Mn Mn363 1.0 0.16667 0.33333 0.50000 1.0000 + Mn Mn364 1.0 0.12500 0.37500 0.50000 1.0000 + Mn Mn365 1.0 0.08333 0.41667 0.50000 1.0000 + Mn Mn366 1.0 0.04167 0.45833 0.50000 1.0000 + Mn Mn367 1.0 0.00000 0.50000 0.50000 1.0000 + Mn Mn368 1.0 0.95833 0.54167 0.50000 1.0000 + Mn Mn369 1.0 0.91667 0.58333 0.50000 1.0000 + Mn Mn370 1.0 0.87500 0.62500 0.50000 1.0000 + Mn Mn371 1.0 0.83333 0.66667 0.50000 1.0000 + Mn Mn372 1.0 0.79167 0.70833 0.50000 1.0000 + Mn Mn373 1.0 0.29167 0.29167 0.50000 1.0000 + Mn Mn374 1.0 0.25000 0.33333 0.50000 1.0000 + Mn Mn375 1.0 0.20833 0.37500 0.50000 1.0000 + Mn Mn376 1.0 0.16667 0.41667 0.50000 1.0000 + Mn Mn377 1.0 0.12500 0.45833 0.50000 1.0000 + Mn Mn378 1.0 0.08333 0.50000 0.50000 1.0000 + Mn Mn379 1.0 0.04167 0.54167 0.50000 1.0000 + Mn Mn380 1.0 0.00000 0.58333 0.50000 1.0000 + Mn Mn381 1.0 0.95833 0.62500 0.50000 1.0000 + Mn Mn382 1.0 0.91667 0.66667 0.50000 1.0000 + Mn Mn383 1.0 0.87500 0.70833 0.50000 1.0000 + Mn Mn384 1.0 0.83333 0.75000 0.50000 1.0000 + Mn Mn385 1.0 0.33333 0.33333 0.50000 1.0000 + Mn Mn386 1.0 0.29167 0.37500 0.50000 1.0000 + Mn Mn387 1.0 0.25000 0.41667 0.50000 1.0000 + Mn Mn388 1.0 0.20833 0.45833 0.50000 1.0000 + Mn Mn389 1.0 0.16667 0.50000 0.50000 1.0000 + Mn Mn390 1.0 0.12500 0.54167 0.50000 1.0000 + Mn Mn391 1.0 0.08333 0.58333 0.50000 1.0000 + Mn Mn392 1.0 0.04167 0.62500 0.50000 1.0000 + Mn Mn393 1.0 0.00000 0.66667 0.50000 1.0000 + Mn Mn394 1.0 0.95833 0.70833 0.50000 1.0000 + Mn Mn395 1.0 0.91667 0.75000 0.50000 1.0000 + Mn Mn396 1.0 0.87500 0.79167 0.50000 1.0000 + Mn Mn397 1.0 0.37500 0.37500 0.50000 1.0000 + Mn Mn398 1.0 0.33333 0.41667 0.50000 1.0000 + Mn Mn399 1.0 0.29167 0.45833 0.50000 1.0000 + Mn Mn400 1.0 0.25000 0.50000 0.50000 1.0000 + Mn Mn401 1.0 0.20833 0.54167 0.50000 1.0000 + Mn Mn402 1.0 0.16667 0.58333 0.50000 1.0000 + Mn Mn403 1.0 0.12500 0.62500 0.50000 1.0000 + Mn Mn404 1.0 0.08333 0.66667 0.50000 1.0000 + Mn Mn405 1.0 0.04167 0.70833 0.50000 1.0000 + Mn Mn406 1.0 0.00000 0.75000 0.50000 1.0000 + Mn Mn407 1.0 0.95833 0.79167 0.50000 1.0000 + Mn Mn408 1.0 0.91667 0.83333 0.50000 1.0000 + Mn Mn409 1.0 0.41667 0.41667 0.50000 1.0000 + Mn Mn410 1.0 0.37500 0.45833 0.50000 1.0000 + Mn Mn411 1.0 0.33333 0.50000 0.50000 1.0000 + Mn Mn412 1.0 0.29167 0.54167 0.50000 1.0000 + Mn Mn413 1.0 0.25000 0.58333 0.50000 1.0000 + Mn Mn414 1.0 0.20833 0.62500 0.50000 1.0000 + Mn Mn415 1.0 0.16667 0.66667 0.50000 1.0000 + Mn Mn416 1.0 0.12500 0.70833 0.50000 1.0000 + Mn Mn417 1.0 0.08333 0.75000 0.50000 1.0000 + Mn Mn418 1.0 0.04167 0.79167 0.50000 1.0000 + Mn Mn419 1.0 0.00000 0.83333 0.50000 1.0000 + Mn Mn420 1.0 0.95833 0.87500 0.50000 1.0000 + Mn Mn421 1.0 0.45833 0.45833 0.50000 1.0000 + Mn Mn422 1.0 0.41667 0.50000 0.50000 1.0000 + Mn Mn423 1.0 0.37500 0.54167 0.50000 1.0000 + Mn Mn424 1.0 0.33333 0.58333 0.50000 1.0000 + Mn Mn425 1.0 0.29167 0.62500 0.50000 1.0000 + Mn Mn426 1.0 0.25000 0.66667 0.50000 1.0000 + Mn Mn427 1.0 0.20833 0.70833 0.50000 1.0000 + Mn Mn428 1.0 0.16667 0.75000 0.50000 1.0000 + Mn Mn429 1.0 0.12500 0.79167 0.50000 1.0000 + Mn Mn430 1.0 0.08333 0.83333 0.50000 1.0000 + Mn Mn431 1.0 0.04167 0.87500 0.50000 1.0000 + Mn Mn432 1.0 0.00000 0.91667 0.50000 1.0000 + Cu Cu1 1.0 0.00000 0.04167 0.50000 1.0000 + Cu Cu2 1.0 0.95833 0.08333 0.50000 1.0000 + Cu Cu3 1.0 0.91667 0.12500 0.50000 1.0000 + Cu Cu4 1.0 0.87500 0.16667 0.50000 1.0000 + Cu Cu5 1.0 0.83333 0.20833 0.50000 1.0000 + Cu Cu6 1.0 0.79167 0.25000 0.50000 1.0000 + Cu Cu7 1.0 0.75000 0.29167 0.50000 1.0000 + Cu Cu8 1.0 0.70833 0.33333 0.50000 1.0000 + Cu Cu9 1.0 0.66667 0.37500 0.50000 1.0000 + Cu Cu10 1.0 0.62500 0.41667 0.50000 1.0000 + Cu Cu11 1.0 0.58333 0.45833 0.50000 1.0000 + Cu Cu12 1.0 0.54167 0.50000 0.50000 1.0000 + Cu Cu13 1.0 0.04167 0.08333 0.50000 1.0000 + Cu Cu14 1.0 0.00000 0.12500 0.50000 1.0000 + Cu Cu15 1.0 0.95833 0.16667 0.50000 1.0000 + Cu Cu16 1.0 0.91667 0.20833 0.50000 1.0000 + Cu Cu17 1.0 0.87500 0.25000 0.50000 1.0000 + Cu Cu18 1.0 0.83333 0.29167 0.50000 1.0000 + Cu Cu19 1.0 0.79167 0.33333 0.50000 1.0000 + Cu Cu20 1.0 0.75000 0.37500 0.50000 1.0000 + Cu Cu21 1.0 0.70833 0.41667 0.50000 1.0000 + Cu Cu22 1.0 0.66667 0.45833 0.50000 1.0000 + Cu Cu23 1.0 0.62500 0.50000 0.50000 1.0000 + Cu Cu24 1.0 0.58333 0.54167 0.50000 1.0000 + Cu Cu25 1.0 0.08333 0.12500 0.50000 1.0000 + Cu Cu26 1.0 0.04167 0.16667 0.50000 1.0000 + Cu Cu27 1.0 0.00000 0.20833 0.50000 1.0000 + Cu Cu28 1.0 0.95833 0.25000 0.50000 1.0000 + Cu Cu29 1.0 0.91667 0.29167 0.50000 1.0000 + Cu Cu30 1.0 0.87500 0.33333 0.50000 1.0000 + Cu Cu31 1.0 0.83333 0.37500 0.50000 1.0000 + Cu Cu32 1.0 0.79167 0.41667 0.50000 1.0000 + Cu Cu33 1.0 0.75000 0.45833 0.50000 1.0000 + Cu Cu34 1.0 0.70833 0.50000 0.50000 1.0000 + Cu Cu35 1.0 0.66667 0.54167 0.50000 1.0000 + Cu Cu36 1.0 0.62500 0.58333 0.50000 1.0000 + Cu Cu37 1.0 0.12500 0.16667 0.50000 1.0000 + Cu Cu38 1.0 0.08333 0.20833 0.50000 1.0000 + Cu Cu39 1.0 0.04167 0.25000 0.50000 1.0000 + Cu Cu40 1.0 0.00000 0.29167 0.50000 1.0000 + Cu Cu41 1.0 0.95833 0.33333 0.50000 1.0000 + Cu Cu42 1.0 0.91667 0.37500 0.50000 1.0000 + Cu Cu43 1.0 0.87500 0.41667 0.50000 1.0000 + Cu Cu44 1.0 0.83333 0.45833 0.50000 1.0000 + Cu Cu45 1.0 0.79167 0.50000 0.50000 1.0000 + Cu Cu46 1.0 0.75000 0.54167 0.50000 1.0000 + Cu Cu47 1.0 0.70833 0.58333 0.50000 1.0000 + Cu Cu48 1.0 0.66667 0.62500 0.50000 1.0000 + Cu Cu49 1.0 0.16667 0.20833 0.50000 1.0000 + Cu Cu50 1.0 0.12500 0.25000 0.50000 1.0000 + Cu Cu51 1.0 0.08333 0.29167 0.50000 1.0000 + Cu Cu52 1.0 0.04167 0.33333 0.50000 1.0000 + Cu Cu53 1.0 0.00000 0.37500 0.50000 1.0000 + Cu Cu54 1.0 0.95833 0.41667 0.50000 1.0000 + Cu Cu55 1.0 0.91667 0.45833 0.50000 1.0000 + Cu Cu56 1.0 0.87500 0.50000 0.50000 1.0000 + Cu Cu57 1.0 0.83333 0.54167 0.50000 1.0000 + Cu Cu58 1.0 0.79167 0.58333 0.50000 1.0000 + Cu Cu59 1.0 0.75000 0.62500 0.50000 1.0000 + Cu Cu60 1.0 0.70833 0.66667 0.50000 1.0000 + Cu Cu61 1.0 0.20833 0.25000 0.50000 1.0000 + Cu Cu62 1.0 0.16667 0.29167 0.50000 1.0000 + Cu Cu63 1.0 0.12500 0.33333 0.50000 1.0000 + Cu Cu64 1.0 0.08333 0.37500 0.50000 1.0000 + Cu Cu65 1.0 0.04167 0.41667 0.50000 1.0000 + Cu Cu66 1.0 0.00000 0.45833 0.50000 1.0000 + Cu Cu67 1.0 0.95833 0.50000 0.50000 1.0000 + Cu Cu68 1.0 0.91667 0.54167 0.50000 1.0000 + Cu Cu69 1.0 0.87500 0.58333 0.50000 1.0000 + Cu Cu70 1.0 0.83333 0.62500 0.50000 1.0000 + Cu Cu71 1.0 0.79167 0.66667 0.50000 1.0000 + Cu Cu72 1.0 0.75000 0.70833 0.50000 1.0000 + Cu Cu73 1.0 0.25000 0.29167 0.50000 1.0000 + Cu Cu74 1.0 0.20833 0.33333 0.50000 1.0000 + Cu Cu75 1.0 0.16667 0.37500 0.50000 1.0000 + Cu Cu76 1.0 0.12500 0.41667 0.50000 1.0000 + Cu Cu77 1.0 0.08333 0.45833 0.50000 1.0000 + Cu Cu78 1.0 0.04167 0.50000 0.50000 1.0000 + Cu Cu79 1.0 0.00000 0.54167 0.50000 1.0000 + Cu Cu80 1.0 0.95833 0.58333 0.50000 1.0000 + Cu Cu81 1.0 0.91667 0.62500 0.50000 1.0000 + Cu Cu82 1.0 0.87500 0.66667 0.50000 1.0000 + Cu Cu83 1.0 0.83333 0.70833 0.50000 1.0000 + Cu Cu84 1.0 0.79167 0.75000 0.50000 1.0000 + Cu Cu85 1.0 0.29167 0.33333 0.50000 1.0000 + Cu Cu86 1.0 0.25000 0.37500 0.50000 1.0000 + Cu Cu87 1.0 0.20833 0.41667 0.50000 1.0000 + Cu Cu88 1.0 0.16667 0.45833 0.50000 1.0000 + Cu Cu89 1.0 0.12500 0.50000 0.50000 1.0000 + Cu Cu90 1.0 0.08333 0.54167 0.50000 1.0000 + Cu Cu91 1.0 0.04167 0.58333 0.50000 1.0000 + Cu Cu92 1.0 0.00000 0.62500 0.50000 1.0000 + Cu Cu93 1.0 0.95833 0.66667 0.50000 1.0000 + Cu Cu94 1.0 0.91667 0.70833 0.50000 1.0000 + Cu Cu95 1.0 0.87500 0.75000 0.50000 1.0000 + Cu Cu96 1.0 0.83333 0.79167 0.50000 1.0000 + Cu Cu97 1.0 0.33333 0.37500 0.50000 1.0000 + Cu Cu98 1.0 0.29167 0.41667 0.50000 1.0000 + Cu Cu99 1.0 0.25000 0.45833 0.50000 1.0000 + Cu Cu100 1.0 0.20833 0.50000 0.50000 1.0000 + Cu Cu101 1.0 0.16667 0.54167 0.50000 1.0000 + Cu Cu102 1.0 0.12500 0.58333 0.50000 1.0000 + Cu Cu103 1.0 0.08333 0.62500 0.50000 1.0000 + Cu Cu104 1.0 0.04167 0.66667 0.50000 1.0000 + Cu Cu105 1.0 0.00000 0.70833 0.50000 1.0000 + Cu Cu106 1.0 0.95833 0.75000 0.50000 1.0000 + Cu Cu107 1.0 0.91667 0.79167 0.50000 1.0000 + Cu Cu108 1.0 0.87500 0.83333 0.50000 1.0000 + Cu Cu109 1.0 0.37500 0.41667 0.50000 1.0000 + Cu Cu110 1.0 0.33333 0.45833 0.50000 1.0000 + Cu Cu111 1.0 0.29167 0.50000 0.50000 1.0000 + Cu Cu112 1.0 0.25000 0.54167 0.50000 1.0000 + Cu Cu113 1.0 0.20833 0.58333 0.50000 1.0000 + Cu Cu114 1.0 0.16667 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O15 1.0 0.93057 0.16666 0.66277 1.0000 + O O16 1.0 0.88890 0.20833 0.66277 1.0000 + O O17 1.0 0.84724 0.25000 0.66277 1.0000 + O O18 1.0 0.80557 0.29166 0.66277 1.0000 + O O19 1.0 0.76390 0.33333 0.66277 1.0000 + O O20 1.0 0.72224 0.37500 0.66277 1.0000 + O O21 1.0 0.68057 0.41666 0.66277 1.0000 + O O22 1.0 0.63890 0.45833 0.66277 1.0000 + O O23 1.0 0.59724 0.50000 0.66277 1.0000 + O O24 1.0 0.55557 0.54166 0.66277 1.0000 + O O25 1.0 0.05557 0.12500 0.66277 1.0000 + O O26 1.0 0.01390 0.16666 0.66277 1.0000 + O O27 1.0 0.97224 0.20833 0.66277 1.0000 + O O28 1.0 0.93057 0.25000 0.66277 1.0000 + O O29 1.0 0.88890 0.29166 0.66277 1.0000 + O O30 1.0 0.84724 0.33333 0.66277 1.0000 + O O31 1.0 0.80557 0.37500 0.66277 1.0000 + O O32 1.0 0.76390 0.41666 0.66277 1.0000 + O O33 1.0 0.72224 0.45833 0.66277 1.0000 + O O34 1.0 0.68057 0.50000 0.66277 1.0000 + O O35 1.0 0.63890 0.54166 0.66277 1.0000 + O O36 1.0 0.59724 0.58333 0.66277 1.0000 + O O37 1.0 0.09724 0.16666 0.66277 1.0000 + O O38 1.0 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O O153 1.0 0.65960 0.39622 0.66279 1.0000 + O O154 1.0 0.61793 0.43789 0.66279 1.0000 + O O155 1.0 0.57626 0.47955 0.66279 1.0000 + O O156 1.0 0.53460 0.52122 0.66279 1.0000 + O O157 1.0 0.03460 0.10455 0.66279 1.0000 + O O158 1.0 0.99293 0.14622 0.66279 1.0000 + O O159 1.0 0.95126 0.18789 0.66279 1.0000 + O O160 1.0 0.90960 0.22955 0.66279 1.0000 + O O161 1.0 0.86793 0.27122 0.66279 1.0000 + O O162 1.0 0.82626 0.31289 0.66279 1.0000 + O O163 1.0 0.78460 0.35455 0.66279 1.0000 + O O164 1.0 0.74293 0.39622 0.66279 1.0000 + O O165 1.0 0.70126 0.43789 0.66279 1.0000 + O O166 1.0 0.65960 0.47955 0.66279 1.0000 + O O167 1.0 0.61793 0.52122 0.66279 1.0000 + O O168 1.0 0.57626 0.56289 0.66279 1.0000 + O O169 1.0 0.07626 0.14622 0.66279 1.0000 + O O170 1.0 0.03460 0.18789 0.66279 1.0000 + O O171 1.0 0.99293 0.22955 0.66279 1.0000 + O O172 1.0 0.95126 0.27122 0.66279 1.0000 + O O173 1.0 0.90960 0.31289 0.66279 1.0000 + O O174 1.0 0.86793 0.35455 0.66279 1.0000 + O O175 1.0 0.82626 0.39622 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O1125 1.0 0.02767 0.75000 0.33825 1.0000 + O O1126 1.0 0.98600 0.79167 0.33825 1.0000 + O O1127 1.0 0.94434 0.83334 0.33825 1.0000 + O O1128 1.0 0.90267 0.87500 0.33825 1.0000 + O O1129 1.0 0.40267 0.45834 0.33825 1.0000 + O O1130 1.0 0.36100 0.50000 0.33825 1.0000 + O O1131 1.0 0.31934 0.54167 0.33825 1.0000 + O O1132 1.0 0.27767 0.58334 0.33825 1.0000 + O O1133 1.0 0.23600 0.62500 0.33825 1.0000 + O O1134 1.0 0.19434 0.66667 0.33825 1.0000 + O O1135 1.0 0.15267 0.70834 0.33825 1.0000 + O O1136 1.0 0.11100 0.75000 0.33825 1.0000 + O O1137 1.0 0.06934 0.79167 0.33825 1.0000 + O O1138 1.0 0.02767 0.83334 0.33825 1.0000 + O O1139 1.0 0.98600 0.87500 0.33825 1.0000 + O O1140 1.0 0.94434 0.91667 0.33825 1.0000 + O O1141 1.0 0.44434 0.50000 0.33825 1.0000 + O O1142 1.0 0.40267 0.54167 0.33825 1.0000 + O O1143 1.0 0.36100 0.58334 0.33825 1.0000 + O O1144 1.0 0.31934 0.62500 0.33825 1.0000 + O O1145 1.0 0.27767 0.66667 0.33825 1.0000 + O O1146 1.0 0.23600 0.70834 0.33825 1.0000 + O O1147 1.0 0.19434 0.75000 0.33825 1.0000 + O O1148 1.0 0.15267 0.79167 0.33825 1.0000 + O O1149 1.0 0.11100 0.83334 0.33825 1.0000 + O O1150 1.0 0.06934 0.87500 0.33825 1.0000 + O O1151 1.0 0.02767 0.91667 0.33825 1.0000 + O O1152 1.0 0.98600 0.95834 0.33825 1.0000 + Mn Mn433 1.0 0.97917 0.02083 0.50000 1.0000 + Mn Mn434 1.0 0.43750 0.56250 0.50000 1.0000 + Mn Mn435 1.0 0.39583 0.60417 0.50000 1.0000 + Mn Mn436 1.0 0.35417 0.64583 0.50000 1.0000 + Mn Mn437 1.0 0.31250 0.68750 0.50000 1.0000 + Mn Mn438 1.0 0.27083 0.72917 0.50000 1.0000 + Mn Mn439 1.0 0.72917 0.27083 0.50000 1.0000 + Mn Mn440 1.0 0.18750 0.81250 0.50000 1.0000 + Mn Mn441 1.0 0.14583 0.85417 0.50000 1.0000 + Mn Mn442 1.0 0.10417 0.89583 0.50000 1.0000 + Mn Mn443 1.0 0.06250 0.93750 0.50000 1.0000 + Mn Mn444 1.0 0.02083 0.97917 0.50000 1.0000 + Mn Mn445 1.0 0.52083 0.56250 0.50000 1.0000 + Mn Mn446 1.0 0.47917 0.60417 0.50000 1.0000 + Mn Mn447 1.0 0.43750 0.64583 0.50000 1.0000 + Mn Mn448 1.0 0.39583 0.68750 0.50000 1.0000 + Mn Mn449 1.0 0.35417 0.72917 0.50000 1.0000 + Mn Mn450 1.0 0.31250 0.77083 0.50000 1.0000 + Mn Mn451 1.0 0.27083 0.81250 0.50000 1.0000 + Mn Mn452 1.0 0.22917 0.85417 0.50000 1.0000 + Mn Mn453 1.0 0.18750 0.89583 0.50000 1.0000 + Mn Mn454 1.0 0.14583 0.93750 0.50000 1.0000 + Mn Mn455 1.0 0.10417 0.97917 0.50000 1.0000 + Mn Mn456 1.0 0.06250 0.02083 0.50000 1.0000 + Mn Mn457 1.0 0.56250 0.60417 0.50000 1.0000 + Mn Mn458 1.0 0.52083 0.64583 0.50000 1.0000 + Mn Mn459 1.0 0.47917 0.68750 0.50000 1.0000 + Mn Mn460 1.0 0.43750 0.72917 0.50000 1.0000 + Mn Mn461 1.0 0.39583 0.77083 0.50000 1.0000 + Mn Mn462 1.0 0.35417 0.81250 0.50000 1.0000 + Mn Mn463 1.0 0.31250 0.85417 0.50000 1.0000 + Mn Mn464 1.0 0.27083 0.89583 0.50000 1.0000 + Mn Mn465 1.0 0.22917 0.93750 0.50000 1.0000 + Mn Mn466 1.0 0.18750 0.97917 0.50000 1.0000 + Mn Mn467 1.0 0.14583 0.02083 0.50000 1.0000 + Mn Mn468 1.0 0.10417 0.06250 0.50000 1.0000 + Mn Mn469 1.0 0.60417 0.64583 0.50000 1.0000 + Mn Mn470 1.0 0.56250 0.68750 0.50000 1.0000 + Mn Mn471 1.0 0.52083 0.72917 0.50000 1.0000 + Mn Mn472 1.0 0.47917 0.77083 0.50000 1.0000 + Mn Mn473 1.0 0.43750 0.81250 0.50000 1.0000 + Mn Mn474 1.0 0.39583 0.85417 0.50000 1.0000 + Mn Mn475 1.0 0.35417 0.89583 0.50000 1.0000 + Mn Mn476 1.0 0.31250 0.93750 0.50000 1.0000 + Mn Mn477 1.0 0.27083 0.97917 0.50000 1.0000 + Mn Mn478 1.0 0.22917 0.02083 0.50000 1.0000 + Mn Mn479 1.0 0.18750 0.06250 0.50000 1.0000 + Mn Mn480 1.0 0.14583 0.10417 0.50000 1.0000 + Mn Mn481 1.0 0.64583 0.68750 0.50000 1.0000 + Mn Mn482 1.0 0.60417 0.72917 0.50000 1.0000 + Mn Mn483 1.0 0.56250 0.77083 0.50000 1.0000 + Mn Mn484 1.0 0.52083 0.81250 0.50000 1.0000 + Mn Mn485 1.0 0.47917 0.85417 0.50000 1.0000 + Mn Mn486 1.0 0.43750 0.89583 0.50000 1.0000 + Mn Mn487 1.0 0.39583 0.93750 0.50000 1.0000 + Mn Mn488 1.0 0.35417 0.97917 0.50000 1.0000 + Mn Mn489 1.0 0.31250 0.02083 0.50000 1.0000 + Mn Mn490 1.0 0.27083 0.06250 0.50000 1.0000 + Mn Mn491 1.0 0.22917 0.10417 0.50000 1.0000 + Mn Mn492 1.0 0.18750 0.14583 0.50000 1.0000 + Mn Mn493 1.0 0.68750 0.72917 0.50000 1.0000 + Mn Mn494 1.0 0.64583 0.77083 0.50000 1.0000 + Mn Mn495 1.0 0.60417 0.81250 0.50000 1.0000 + Mn Mn496 1.0 0.56250 0.85417 0.50000 1.0000 + Mn Mn497 1.0 0.52083 0.89583 0.50000 1.0000 + Mn Mn498 1.0 0.47917 0.93750 0.50000 1.0000 + Mn Mn499 1.0 0.43750 0.97917 0.50000 1.0000 + Mn Mn500 1.0 0.39583 0.02083 0.50000 1.0000 + Mn Mn501 1.0 0.35417 0.06250 0.50000 1.0000 + Mn Mn502 1.0 0.31250 0.10417 0.50000 1.0000 + Mn Mn503 1.0 0.27083 0.14583 0.50000 1.0000 + Mn Mn504 1.0 0.22917 0.18750 0.50000 1.0000 + Mn Mn505 1.0 0.72917 0.77083 0.50000 1.0000 + Mn Mn506 1.0 0.68750 0.81250 0.50000 1.0000 + Mn Mn507 1.0 0.64583 0.85417 0.50000 1.0000 + Mn Mn508 1.0 0.60417 0.89583 0.50000 1.0000 + Mn Mn509 1.0 0.56250 0.93750 0.50000 1.0000 + Mn Mn510 1.0 0.52083 0.97917 0.50000 1.0000 + Mn Mn511 1.0 0.47917 0.02083 0.50000 1.0000 + Mn Mn512 1.0 0.43750 0.06250 0.50000 1.0000 + Mn Mn513 1.0 0.39583 0.10417 0.50000 1.0000 + Mn Mn514 1.0 0.35417 0.14583 0.50000 1.0000 + Mn Mn515 1.0 0.31250 0.18750 0.50000 1.0000 + Mn Mn516 1.0 0.27083 0.22917 0.50000 1.0000 + Mn Mn517 1.0 0.77083 0.81250 0.50000 1.0000 + Mn Mn518 1.0 0.72917 0.85417 0.50000 1.0000 + Mn Mn519 1.0 0.68750 0.89583 0.50000 1.0000 + Mn Mn520 1.0 0.64583 0.93750 0.50000 1.0000 + Mn Mn521 1.0 0.60417 0.97917 0.50000 1.0000 + Mn Mn522 1.0 0.56250 0.02083 0.50000 1.0000 + Mn Mn523 1.0 0.52083 0.06250 0.50000 1.0000 + Mn Mn524 1.0 0.47917 0.10417 0.50000 1.0000 + Mn Mn525 1.0 0.43750 0.14583 0.50000 1.0000 + Mn Mn526 1.0 0.39583 0.18750 0.50000 1.0000 + Mn Mn527 1.0 0.35417 0.22917 0.50000 1.0000 + Mn Mn528 1.0 0.31250 0.27083 0.50000 1.0000 + Mn Mn529 1.0 0.81250 0.85417 0.50000 1.0000 + Mn Mn530 1.0 0.77083 0.89583 0.50000 1.0000 + Mn Mn531 1.0 0.72917 0.93750 0.50000 1.0000 + Mn Mn532 1.0 0.68750 0.97917 0.50000 1.0000 + Mn Mn533 1.0 0.64583 0.02083 0.50000 1.0000 + Mn Mn534 1.0 0.60417 0.06250 0.50000 1.0000 + Mn Mn535 1.0 0.56250 0.10417 0.50000 1.0000 + Mn Mn536 1.0 0.52083 0.14583 0.50000 1.0000 + Mn Mn537 1.0 0.47917 0.18750 0.50000 1.0000 + Mn Mn538 1.0 0.43750 0.22917 0.50000 1.0000 + Mn Mn539 1.0 0.39583 0.27083 0.50000 1.0000 + Mn Mn540 1.0 0.35417 0.31250 0.50000 1.0000 + Mn Mn541 1.0 0.85417 0.89583 0.50000 1.0000 + Mn Mn542 1.0 0.81250 0.93750 0.50000 1.0000 + Mn Mn543 1.0 0.77083 0.97917 0.50000 1.0000 + Mn Mn544 1.0 0.72917 0.02083 0.50000 1.0000 + Mn Mn545 1.0 0.68750 0.06250 0.50000 1.0000 + Mn Mn546 1.0 0.64583 0.10417 0.50000 1.0000 + Mn Mn547 1.0 0.60417 0.14583 0.50000 1.0000 + Mn Mn548 1.0 0.56250 0.18750 0.50000 1.0000 + Mn Mn549 1.0 0.52083 0.22917 0.50000 1.0000 + Mn Mn550 1.0 0.47917 0.27083 0.50000 1.0000 + Mn Mn551 1.0 0.43750 0.31250 0.50000 1.0000 + Mn Mn552 1.0 0.39583 0.35417 0.50000 1.0000 + Mn Mn553 1.0 0.89583 0.93750 0.50000 1.0000 + Mn Mn554 1.0 0.85417 0.97917 0.50000 1.0000 + Mn Mn555 1.0 0.81250 0.02083 0.50000 1.0000 + Mn Mn556 1.0 0.77083 0.06250 0.50000 1.0000 + Mn Mn557 1.0 0.72917 0.10417 0.50000 1.0000 + Mn Mn558 1.0 0.68750 0.14583 0.50000 1.0000 + Mn Mn559 1.0 0.64583 0.18750 0.50000 1.0000 + Mn Mn560 1.0 0.60417 0.22917 0.50000 1.0000 + Mn Mn561 1.0 0.56250 0.27083 0.50000 1.0000 + Mn Mn562 1.0 0.52083 0.31250 0.50000 1.0000 + Mn Mn563 1.0 0.47917 0.35417 0.50000 1.0000 + Mn Mn564 1.0 0.43750 0.39583 0.50000 1.0000 + Mn Mn565 1.0 0.93750 0.97917 0.50000 1.0000 + Mn Mn566 1.0 0.89583 0.02083 0.50000 1.0000 + Mn Mn567 1.0 0.85417 0.06250 0.50000 1.0000 + Mn Mn568 1.0 0.81250 0.10417 0.50000 1.0000 + Mn Mn569 1.0 0.77083 0.14583 0.50000 1.0000 + Mn Mn570 1.0 0.72917 0.18750 0.50000 1.0000 + Mn Mn571 1.0 0.68750 0.22917 0.50000 1.0000 + Mn Mn572 1.0 0.64583 0.27083 0.50000 1.0000 + Mn Mn573 1.0 0.60417 0.31250 0.50000 1.0000 + Mn Mn574 1.0 0.56250 0.35417 0.50000 1.0000 + Mn Mn575 1.0 0.52083 0.39583 0.50000 1.0000 + Mn Mn576 1.0 0.47917 0.43750 0.50000 1.0000 + Mn Mn577 1.0 0.52083 0.52083 0.50000 1.0000 + Mn Mn578 1.0 0.47917 0.56250 0.50000 1.0000 + Mn Mn579 1.0 0.43750 0.60417 0.50000 1.0000 + Mn Mn580 1.0 0.39583 0.64583 0.50000 1.0000 + Mn Mn581 1.0 0.35417 0.68750 0.50000 1.0000 + Mn Mn582 1.0 0.31250 0.72917 0.50000 1.0000 + Mn Mn583 1.0 0.27083 0.77083 0.50000 1.0000 + Mn Mn584 1.0 0.22917 0.81250 0.50000 1.0000 + Mn Mn585 1.0 0.18750 0.85417 0.50000 1.0000 + Mn Mn586 1.0 0.14583 0.89583 0.50000 1.0000 + Mn Mn587 1.0 0.10417 0.93750 0.50000 1.0000 + Mn Mn588 1.0 0.06250 0.97917 0.50000 1.0000 + Mn Mn589 1.0 0.56250 0.56250 0.50000 1.0000 + Mn Mn590 1.0 0.52083 0.60417 0.50000 1.0000 + Mn Mn591 1.0 0.47917 0.64583 0.50000 1.0000 + Mn Mn592 1.0 0.43750 0.68750 0.50000 1.0000 + Mn Mn593 1.0 0.39583 0.72917 0.50000 1.0000 + Mn Mn594 1.0 0.35417 0.77083 0.50000 1.0000 + Mn Mn595 1.0 0.31250 0.81250 0.50000 1.0000 + Mn Mn596 1.0 0.27083 0.85417 0.50000 1.0000 + Mn Mn597 1.0 0.22917 0.89583 0.50000 1.0000 + Mn Mn598 1.0 0.18750 0.93750 0.50000 1.0000 + Mn Mn599 1.0 0.14583 0.97917 0.50000 1.0000 + Mn Mn600 1.0 0.10417 0.02083 0.50000 1.0000 + Mn Mn601 1.0 0.60417 0.60417 0.50000 1.0000 + Mn Mn602 1.0 0.56250 0.64583 0.50000 1.0000 + Mn Mn603 1.0 0.52083 0.68750 0.50000 1.0000 + Mn Mn604 1.0 0.47917 0.72917 0.50000 1.0000 + Mn Mn605 1.0 0.43750 0.77083 0.50000 1.0000 + Mn Mn606 1.0 0.39583 0.81250 0.50000 1.0000 + Mn Mn607 1.0 0.35417 0.85417 0.50000 1.0000 + Mn Mn608 1.0 0.31250 0.89583 0.50000 1.0000 + Mn Mn609 1.0 0.27083 0.93750 0.50000 1.0000 + Mn Mn610 1.0 0.22917 0.97917 0.50000 1.0000 + Mn Mn611 1.0 0.18750 0.02083 0.50000 1.0000 + Mn Mn612 1.0 0.14583 0.06250 0.50000 1.0000 + Mn Mn613 1.0 0.64583 0.64583 0.50000 1.0000 + Mn Mn614 1.0 0.60417 0.68750 0.50000 1.0000 + Mn Mn615 1.0 0.56250 0.72917 0.50000 1.0000 + Mn Mn616 1.0 0.52083 0.77083 0.50000 1.0000 + Mn Mn617 1.0 0.47917 0.81250 0.50000 1.0000 + Mn Mn618 1.0 0.43750 0.85417 0.50000 1.0000 + Mn Mn619 1.0 0.39583 0.89583 0.50000 1.0000 + Mn Mn620 1.0 0.35417 0.93750 0.50000 1.0000 + Mn Mn621 1.0 0.31250 0.97917 0.50000 1.0000 + Mn Mn622 1.0 0.27083 0.02083 0.50000 1.0000 + Mn Mn623 1.0 0.22917 0.06250 0.50000 1.0000 + Mn Mn624 1.0 0.18750 0.10417 0.50000 1.0000 + Mn Mn625 1.0 0.68750 0.68750 0.50000 1.0000 + Mn Mn626 1.0 0.64583 0.72917 0.50000 1.0000 + Mn Mn627 1.0 0.60417 0.77083 0.50000 1.0000 + Mn Mn628 1.0 0.56250 0.81250 0.50000 1.0000 + Mn Mn629 1.0 0.52083 0.85417 0.50000 1.0000 + Mn Mn630 1.0 0.47917 0.89583 0.50000 1.0000 + Mn Mn631 1.0 0.43750 0.93750 0.50000 1.0000 + Mn Mn632 1.0 0.39583 0.97917 0.50000 1.0000 + Mn Mn633 1.0 0.35417 0.02083 0.50000 1.0000 + Mn Mn634 1.0 0.31250 0.06250 0.50000 1.0000 + Mn Mn635 1.0 0.27083 0.10417 0.50000 1.0000 + Mn Mn636 1.0 0.22917 0.14583 0.50000 1.0000 + Mn Mn637 1.0 0.72917 0.72917 0.50000 1.0000 + Mn Mn638 1.0 0.68750 0.77083 0.50000 1.0000 + Mn Mn639 1.0 0.64583 0.81250 0.50000 1.0000 + Mn Mn640 1.0 0.60417 0.85417 0.50000 1.0000 + Mn Mn641 1.0 0.56250 0.89583 0.50000 1.0000 + Mn Mn642 1.0 0.52083 0.93750 0.50000 1.0000 + Mn Mn643 1.0 0.47917 0.97917 0.50000 1.0000 + Mn Mn644 1.0 0.43750 0.02083 0.50000 1.0000 + Mn Mn645 1.0 0.39583 0.06250 0.50000 1.0000 + Mn Mn646 1.0 0.35417 0.10417 0.50000 1.0000 + Mn Mn647 1.0 0.31250 0.14583 0.50000 1.0000 + Mn Mn648 1.0 0.27083 0.18750 0.50000 1.0000 + Mn Mn649 1.0 0.77083 0.77083 0.50000 1.0000 + Mn Mn650 1.0 0.72917 0.81250 0.50000 1.0000 + Mn Mn651 1.0 0.68750 0.85417 0.50000 1.0000 + Mn Mn652 1.0 0.64583 0.89583 0.50000 1.0000 + Mn Mn653 1.0 0.60417 0.93750 0.50000 1.0000 + Mn Mn654 1.0 0.56250 0.97917 0.50000 1.0000 + Mn Mn655 1.0 0.52083 0.02083 0.50000 1.0000 + Mn Mn656 1.0 0.47917 0.06250 0.50000 1.0000 + Mn Mn657 1.0 0.43750 0.10417 0.50000 1.0000 + Mn Mn658 1.0 0.39583 0.14583 0.50000 1.0000 + Mn Mn659 1.0 0.35417 0.18750 0.50000 1.0000 + Mn Mn660 1.0 0.31250 0.22917 0.50000 1.0000 + Mn Mn661 1.0 0.81250 0.81250 0.50000 1.0000 + Mn Mn662 1.0 0.77083 0.85417 0.50000 1.0000 + Mn Mn663 1.0 0.72917 0.89583 0.50000 1.0000 + Mn Mn664 1.0 0.68750 0.93750 0.50000 1.0000 + Mn Mn665 1.0 0.64583 0.97917 0.50000 1.0000 + Mn Mn666 1.0 0.60417 0.02083 0.50000 1.0000 + Mn Mn667 1.0 0.56250 0.06250 0.50000 1.0000 + Mn Mn668 1.0 0.52083 0.10417 0.50000 1.0000 + Mn Mn669 1.0 0.47917 0.14583 0.50000 1.0000 + Mn Mn670 1.0 0.43750 0.18750 0.50000 1.0000 + Mn Mn671 1.0 0.39583 0.22917 0.50000 1.0000 + Mn Mn672 1.0 0.35417 0.27083 0.50000 1.0000 + Mn Mn673 1.0 0.85417 0.85417 0.50000 1.0000 + Mn Mn674 1.0 0.81250 0.89583 0.50000 1.0000 + Mn Mn675 1.0 0.77083 0.93750 0.50000 1.0000 + Mn Mn676 1.0 0.72917 0.97917 0.50000 1.0000 + Mn Mn677 1.0 0.68750 0.02083 0.50000 1.0000 + Mn Mn678 1.0 0.64583 0.06250 0.50000 1.0000 + Mn Mn679 1.0 0.60417 0.10417 0.50000 1.0000 + Mn Mn680 1.0 0.56250 0.14583 0.50000 1.0000 + Mn Mn681 1.0 0.52083 0.18750 0.50000 1.0000 + Mn Mn682 1.0 0.47917 0.22917 0.50000 1.0000 + Mn Mn683 1.0 0.43750 0.27083 0.50000 1.0000 + Mn Mn684 1.0 0.39583 0.31250 0.50000 1.0000 + Mn Mn685 1.0 0.89583 0.89583 0.50000 1.0000 + Mn Mn686 1.0 0.85417 0.93750 0.50000 1.0000 + Mn Mn687 1.0 0.81250 0.97917 0.50000 1.0000 + Mn Mn688 1.0 0.77083 0.02083 0.50000 1.0000 + Mn Mn689 1.0 0.72917 0.06250 0.50000 1.0000 + Mn Mn690 1.0 0.68750 0.10417 0.50000 1.0000 + Mn Mn691 1.0 0.64583 0.14583 0.50000 1.0000 + Mn Mn692 1.0 0.60417 0.18750 0.50000 1.0000 + Mn Mn693 1.0 0.56250 0.22917 0.50000 1.0000 + Mn Mn694 1.0 0.52083 0.27083 0.50000 1.0000 + Mn Mn695 1.0 0.47917 0.31250 0.50000 1.0000 + Mn Mn696 1.0 0.43750 0.35417 0.50000 1.0000 + Mn Mn697 1.0 0.93750 0.93750 0.50000 1.0000 + Mn Mn698 1.0 0.89583 0.97917 0.50000 1.0000 + Mn Mn699 1.0 0.85417 0.02083 0.50000 1.0000 + Mn Mn700 1.0 0.81250 0.06250 0.50000 1.0000 + Mn Mn701 1.0 0.77083 0.10417 0.50000 1.0000 + Mn Mn702 1.0 0.72917 0.14583 0.50000 1.0000 + Mn Mn703 1.0 0.68750 0.18750 0.50000 1.0000 + Mn Mn704 1.0 0.64583 0.22917 0.50000 1.0000 + Mn Mn705 1.0 0.60417 0.27083 0.50000 1.0000 + Mn Mn706 1.0 0.56250 0.31250 0.50000 1.0000 + Mn Mn707 1.0 0.52083 0.35417 0.50000 1.0000 + Mn Mn708 1.0 0.47917 0.39583 0.50000 1.0000 + Mn Mn709 1.0 0.97917 0.97917 0.50000 1.0000 + Mn Mn710 1.0 0.93750 0.02083 0.50000 1.0000 + Mn Mn711 1.0 0.89583 0.06250 0.50000 1.0000 + Mn Mn712 1.0 0.85417 0.10417 0.50000 1.0000 + Mn Mn713 1.0 0.81250 0.14583 0.50000 1.0000 + Mn Mn714 1.0 0.77083 0.18750 0.50000 1.0000 + Mn Mn715 1.0 0.72917 0.22917 0.50000 1.0000 + Mn Mn716 1.0 0.68750 0.27083 0.50000 1.0000 + Mn Mn717 1.0 0.64583 0.31250 0.50000 1.0000 + Mn Mn718 1.0 0.60417 0.35417 0.50000 1.0000 + Mn Mn719 1.0 0.56250 0.39583 0.50000 1.0000 + Mn Mn720 1.0 0.52083 0.43750 0.50000 1.0000 + Mn Mn721 1.0 0.50000 0.50000 0.50000 1.0000 + Mn Mn722 1.0 0.95833 0.04167 0.50000 1.0000 + Mn Mn723 1.0 0.91667 0.08333 0.50000 1.0000 + Mn Mn724 1.0 0.37500 0.62500 0.50000 1.0000 + Mn Mn725 1.0 0.83333 0.16667 0.50000 1.0000 + Mn Mn726 1.0 0.29167 0.70833 0.50000 1.0000 + Mn Mn727 1.0 0.25000 0.75000 0.50000 1.0000 + Mn Mn728 1.0 0.20833 0.79167 0.50000 1.0000 + Mn Mn729 1.0 0.66667 0.33333 0.50000 1.0000 + Mn Mn730 1.0 0.12500 0.87500 0.50000 1.0000 + Mn Mn731 1.0 0.08333 0.91667 0.50000 1.0000 + Mn Mn732 1.0 0.04167 0.95833 0.50000 1.0000 + Mn Mn733 1.0 0.54167 0.54167 0.50000 1.0000 + Mn Mn734 1.0 0.50000 0.58333 0.50000 1.0000 + Mn Mn735 1.0 0.45833 0.62500 0.50000 1.0000 + Mn Mn736 1.0 0.41667 0.66667 0.50000 1.0000 + Mn Mn737 1.0 0.37500 0.70833 0.50000 1.0000 + Mn Mn738 1.0 0.33333 0.75000 0.50000 1.0000 + Mn Mn739 1.0 0.29167 0.79167 0.50000 1.0000 + Mn Mn740 1.0 0.25000 0.83333 0.50000 1.0000 + Mn Mn741 1.0 0.20833 0.87500 0.50000 1.0000 + Mn Mn742 1.0 0.16667 0.91667 0.50000 1.0000 + Mn Mn743 1.0 0.12500 0.95833 0.50000 1.0000 + Mn Mn744 1.0 0.08333 0.00000 0.50000 1.0000 + Mn Mn745 1.0 0.58333 0.58333 0.50000 1.0000 + Mn Mn746 1.0 0.54167 0.62500 0.50000 1.0000 + Mn Mn747 1.0 0.50000 0.66667 0.50000 1.0000 + Mn Mn748 1.0 0.45833 0.70833 0.50000 1.0000 + Mn Mn749 1.0 0.41667 0.75000 0.50000 1.0000 + Mn Mn750 1.0 0.37500 0.79167 0.50000 1.0000 + Mn Mn751 1.0 0.33333 0.83333 0.50000 1.0000 + Mn Mn752 1.0 0.29167 0.87500 0.50000 1.0000 + Mn Mn753 1.0 0.25000 0.91667 0.50000 1.0000 + Mn Mn754 1.0 0.20833 0.95833 0.50000 1.0000 + Mn Mn755 1.0 0.16667 0.00000 0.50000 1.0000 + Mn Mn756 1.0 0.12500 0.04167 0.50000 1.0000 + Mn Mn757 1.0 0.62500 0.62500 0.50000 1.0000 + Mn Mn758 1.0 0.58333 0.66667 0.50000 1.0000 + Mn Mn759 1.0 0.54167 0.70833 0.50000 1.0000 + Mn Mn760 1.0 0.50000 0.75000 0.50000 1.0000 + Mn Mn761 1.0 0.45833 0.79167 0.50000 1.0000 + Mn Mn762 1.0 0.41667 0.83333 0.50000 1.0000 + Mn Mn763 1.0 0.37500 0.87500 0.50000 1.0000 + Mn Mn764 1.0 0.33333 0.91667 0.50000 1.0000 + Mn Mn765 1.0 0.29167 0.95833 0.50000 1.0000 + Mn Mn766 1.0 0.25000 0.00000 0.50000 1.0000 + Mn Mn767 1.0 0.20833 0.04167 0.50000 1.0000 + Mn Mn768 1.0 0.16667 0.08333 0.50000 1.0000 + Mn Mn769 1.0 0.66667 0.66667 0.50000 1.0000 + Mn Mn770 1.0 0.62500 0.70833 0.50000 1.0000 + Mn Mn771 1.0 0.58333 0.75000 0.50000 1.0000 + Mn Mn772 1.0 0.54167 0.79167 0.50000 1.0000 + Mn Mn773 1.0 0.50000 0.83333 0.50000 1.0000 + Mn Mn774 1.0 0.45833 0.87500 0.50000 1.0000 + Mn Mn775 1.0 0.41667 0.91667 0.50000 1.0000 + Mn Mn776 1.0 0.37500 0.95833 0.50000 1.0000 + Mn Mn777 1.0 0.33333 0.00000 0.50000 1.0000 + Mn Mn778 1.0 0.29167 0.04167 0.50000 1.0000 + Mn Mn779 1.0 0.25000 0.08333 0.50000 1.0000 + Mn Mn780 1.0 0.20833 0.12500 0.50000 1.0000 + Mn Mn781 1.0 0.70833 0.70833 0.50000 1.0000 + Mn Mn782 1.0 0.66667 0.75000 0.50000 1.0000 + Mn Mn783 1.0 0.62500 0.79167 0.50000 1.0000 + Mn Mn784 1.0 0.58333 0.83333 0.50000 1.0000 + Mn Mn785 1.0 0.54167 0.87500 0.50000 1.0000 + Mn Mn786 1.0 0.50000 0.91667 0.50000 1.0000 + Mn Mn787 1.0 0.45833 0.95833 0.50000 1.0000 + Mn Mn788 1.0 0.41667 0.00000 0.50000 1.0000 + Mn Mn789 1.0 0.37500 0.04167 0.50000 1.0000 + Mn Mn790 1.0 0.33333 0.08333 0.50000 1.0000 + Mn Mn791 1.0 0.29167 0.12500 0.50000 1.0000 + Mn Mn792 1.0 0.25000 0.16667 0.50000 1.0000 + Mn Mn793 1.0 0.75000 0.75000 0.50000 1.0000 + Mn Mn794 1.0 0.70833 0.79167 0.50000 1.0000 + Mn Mn795 1.0 0.66667 0.83333 0.50000 1.0000 + Mn Mn796 1.0 0.62500 0.87500 0.50000 1.0000 + Mn Mn797 1.0 0.58333 0.91667 0.50000 1.0000 + Mn Mn798 1.0 0.54167 0.95833 0.50000 1.0000 + Mn Mn799 1.0 0.50000 1.00000 0.50000 1.0000 + Mn Mn800 1.0 0.45833 0.04167 0.50000 1.0000 + Mn Mn801 1.0 0.41667 0.08333 0.50000 1.0000 + Mn Mn802 1.0 0.37500 0.12500 0.50000 1.0000 + Mn Mn803 1.0 0.33333 0.16667 0.50000 1.0000 + Mn Mn804 1.0 0.29167 0.20833 0.50000 1.0000 + Mn Mn805 1.0 0.79167 0.79167 0.50000 1.0000 + Mn Mn806 1.0 0.75000 0.83333 0.50000 1.0000 + Mn Mn807 1.0 0.70833 0.87500 0.50000 1.0000 + Mn Mn808 1.0 0.66667 0.91667 0.50000 1.0000 + Mn Mn809 1.0 0.62500 0.95833 0.50000 1.0000 + Mn Mn810 1.0 0.58333 0.00000 0.50000 1.0000 + Mn Mn811 1.0 0.54167 0.04167 0.50000 1.0000 + Mn Mn812 1.0 0.50000 0.08333 0.50000 1.0000 + Mn Mn813 1.0 0.45833 0.12500 0.50000 1.0000 + Mn Mn814 1.0 0.41667 0.16667 0.50000 1.0000 + Mn Mn815 1.0 0.37500 0.20833 0.50000 1.0000 + Mn Mn816 1.0 0.33333 0.25000 0.50000 1.0000 + Mn Mn817 1.0 0.83333 0.83333 0.50000 1.0000 + Mn Mn818 1.0 0.79167 0.87500 0.50000 1.0000 + Mn Mn819 1.0 0.75000 0.91667 0.50000 1.0000 + Mn Mn820 1.0 0.70833 0.95833 0.50000 1.0000 + Mn Mn821 1.0 0.66667 1.00000 0.50000 1.0000 + Mn Mn822 1.0 0.62500 0.04167 0.50000 1.0000 + Mn Mn823 1.0 0.58333 0.08333 0.50000 1.0000 + Mn Mn824 1.0 0.54167 0.12500 0.50000 1.0000 + Mn Mn825 1.0 0.50000 0.16667 0.50000 1.0000 + Mn Mn826 1.0 0.45833 0.20833 0.50000 1.0000 + Mn Mn827 1.0 0.41667 0.25000 0.50000 1.0000 + Mn Mn828 1.0 0.37500 0.29167 0.50000 1.0000 + Mn Mn829 1.0 0.87500 0.87500 0.50000 1.0000 + Mn Mn830 1.0 0.83333 0.91667 0.50000 1.0000 + Mn Mn831 1.0 0.79167 0.95833 0.50000 1.0000 + Mn Mn832 1.0 0.75000 1.00000 0.50000 1.0000 + Mn Mn833 1.0 0.70833 0.04167 0.50000 1.0000 + Mn Mn834 1.0 0.66667 0.08333 0.50000 1.0000 + Mn Mn835 1.0 0.62500 0.12500 0.50000 1.0000 + Mn Mn836 1.0 0.58333 0.16667 0.50000 1.0000 + Mn Mn837 1.0 0.54167 0.20833 0.50000 1.0000 + Mn Mn838 1.0 0.50000 0.25000 0.50000 1.0000 + Mn Mn839 1.0 0.45833 0.29167 0.50000 1.0000 + Mn Mn840 1.0 0.41667 0.33333 0.50000 1.0000 + Mn Mn841 1.0 0.91667 0.91667 0.50000 1.0000 + Mn Mn842 1.0 0.87500 0.95833 0.50000 1.0000 + Mn Mn843 1.0 0.83333 1.00000 0.50000 1.0000 + Mn Mn844 1.0 0.79167 0.04167 0.50000 1.0000 + Mn Mn845 1.0 0.75000 0.08333 0.50000 1.0000 + Mn Mn846 1.0 0.70833 0.12500 0.50000 1.0000 + Mn Mn847 1.0 0.66667 0.16667 0.50000 1.0000 + Mn Mn848 1.0 0.62500 0.20833 0.50000 1.0000 + Mn Mn849 1.0 0.58333 0.25000 0.50000 1.0000 + Mn Mn850 1.0 0.54167 0.29167 0.50000 1.0000 + Mn Mn851 1.0 0.50000 0.33333 0.50000 1.0000 + Mn Mn852 1.0 0.45833 0.37500 0.50000 1.0000 + Mn Mn853 1.0 0.95833 0.95833 0.50000 1.0000 + Mn Mn854 1.0 0.91667 1.00000 0.50000 1.0000 + Mn Mn855 1.0 0.87500 0.04167 0.50000 1.0000 + Mn Mn856 1.0 0.83333 0.08333 0.50000 1.0000 + Mn Mn857 1.0 0.79167 0.12500 0.50000 1.0000 + Mn Mn858 1.0 0.75000 0.16667 0.50000 1.0000 + Mn Mn859 1.0 0.70833 0.20833 0.50000 1.0000 + Mn Mn860 1.0 0.66667 0.25000 0.50000 1.0000 + Mn Mn861 1.0 0.62500 0.29167 0.50000 1.0000 + Mn Mn862 1.0 0.58333 0.33333 0.50000 1.0000 + Mn Mn863 1.0 0.54167 0.37500 0.50000 1.0000 + Mn Mn864 1.0 0.50000 0.41667 0.50000 1.0000 + Cu Cu145 1.0 0.50000 0.54167 0.50000 1.0000 + Cu Cu146 1.0 0.45833 0.58333 0.50000 1.0000 + Cu Cu147 1.0 0.41667 0.62500 0.50000 1.0000 + Cu Cu148 1.0 0.37500 0.66667 0.50000 1.0000 + Cu Cu149 1.0 0.33333 0.70833 0.50000 1.0000 + Cu Cu150 1.0 0.29167 0.75000 0.50000 1.0000 + Cu Cu151 1.0 0.25000 0.79167 0.50000 1.0000 + Cu Cu152 1.0 0.20833 0.83333 0.50000 1.0000 + Cu Cu153 1.0 0.16667 0.87500 0.50000 1.0000 + Cu Cu154 1.0 0.12500 0.91667 0.50000 1.0000 + Cu Cu155 1.0 0.08333 0.95833 0.50000 1.0000 + Cu Cu156 1.0 0.04167 0.00000 0.50000 1.0000 + Cu Cu157 1.0 0.54167 0.58333 0.50000 1.0000 + Cu Cu158 1.0 0.50000 0.62500 0.50000 1.0000 + Cu Cu159 1.0 0.45833 0.66667 0.50000 1.0000 + Cu Cu160 1.0 0.41667 0.70833 0.50000 1.0000 + Cu Cu161 1.0 0.37500 0.75000 0.50000 1.0000 + Cu Cu162 1.0 0.33333 0.79167 0.50000 1.0000 + Cu Cu163 1.0 0.29167 0.83333 0.50000 1.0000 + Cu Cu164 1.0 0.25000 0.87500 0.50000 1.0000 + Cu Cu165 1.0 0.20833 0.91667 0.50000 1.0000 + Cu Cu166 1.0 0.16667 0.95833 0.50000 1.0000 + Cu Cu167 1.0 0.12500 0.00000 0.50000 1.0000 + Cu Cu168 1.0 0.08333 0.04167 0.50000 1.0000 + Cu Cu169 1.0 0.58333 0.62500 0.50000 1.0000 + Cu Cu170 1.0 0.54167 0.66667 0.50000 1.0000 + Cu Cu171 1.0 0.50000 0.70833 0.50000 1.0000 + Cu Cu172 1.0 0.45833 0.75000 0.50000 1.0000 + Cu Cu173 1.0 0.41667 0.79167 0.50000 1.0000 + Cu Cu174 1.0 0.37500 0.83333 0.50000 1.0000 + Cu Cu175 1.0 0.33333 0.87500 0.50000 1.0000 + Cu Cu176 1.0 0.29167 0.91667 0.50000 1.0000 + Cu Cu177 1.0 0.25000 0.95833 0.50000 1.0000 + Cu Cu178 1.0 0.20833 0.00000 0.50000 1.0000 + Cu Cu179 1.0 0.16667 0.04167 0.50000 1.0000 + Cu Cu180 1.0 0.12500 0.08333 0.50000 1.0000 + Cu Cu181 1.0 0.62500 0.66667 0.50000 1.0000 + Cu Cu182 1.0 0.58333 0.70833 0.50000 1.0000 + Cu Cu183 1.0 0.54167 0.75000 0.50000 1.0000 + Cu Cu184 1.0 0.50000 0.79167 0.50000 1.0000 + Cu Cu185 1.0 0.45833 0.83333 0.50000 1.0000 + Cu Cu186 1.0 0.41667 0.87500 0.50000 1.0000 + Cu Cu187 1.0 0.37500 0.91667 0.50000 1.0000 + Cu Cu188 1.0 0.33333 0.95833 0.50000 1.0000 + Cu Cu189 1.0 0.29167 0.00000 0.50000 1.0000 + Cu Cu190 1.0 0.25000 0.04167 0.50000 1.0000 + Cu Cu191 1.0 0.20833 0.08333 0.50000 1.0000 + Cu Cu192 1.0 0.16667 0.12500 0.50000 1.0000 + Cu Cu193 1.0 0.66667 0.70833 0.50000 1.0000 + Cu Cu194 1.0 0.62500 0.75000 0.50000 1.0000 + Cu Cu195 1.0 0.58333 0.79167 0.50000 1.0000 + Cu Cu196 1.0 0.54167 0.83333 0.50000 1.0000 + Cu Cu197 1.0 0.50000 0.87500 0.50000 1.0000 + Cu Cu198 1.0 0.45833 0.91667 0.50000 1.0000 + Cu Cu199 1.0 0.41667 0.95833 0.50000 1.0000 + Cu Cu200 1.0 0.37500 0.00000 0.50000 1.0000 + Cu Cu201 1.0 0.33333 0.04167 0.50000 1.0000 + Cu Cu202 1.0 0.29167 0.08333 0.50000 1.0000 + Cu Cu203 1.0 0.25000 0.12500 0.50000 1.0000 + Cu Cu204 1.0 0.20833 0.16667 0.50000 1.0000 + Cu Cu205 1.0 0.70833 0.75000 0.50000 1.0000 + Cu Cu206 1.0 0.66667 0.79167 0.50000 1.0000 + Cu Cu207 1.0 0.62500 0.83333 0.50000 1.0000 + Cu Cu208 1.0 0.58333 0.87500 0.50000 1.0000 + Cu Cu209 1.0 0.54167 0.91667 0.50000 1.0000 + Cu Cu210 1.0 0.50000 0.95833 0.50000 1.0000 + Cu Cu211 1.0 0.45833 0.00000 0.50000 1.0000 + Cu Cu212 1.0 0.41667 0.04167 0.50000 1.0000 + Cu Cu213 1.0 0.37500 0.08333 0.50000 1.0000 + Cu Cu214 1.0 0.33333 0.12500 0.50000 1.0000 + Cu Cu215 1.0 0.29167 0.16667 0.50000 1.0000 + Cu Cu216 1.0 0.25000 0.20833 0.50000 1.0000 + Cu Cu217 1.0 0.75000 0.79167 0.50000 1.0000 + Cu Cu218 1.0 0.70833 0.83333 0.50000 1.0000 + Cu Cu219 1.0 0.66667 0.87500 0.50000 1.0000 + Cu Cu220 1.0 0.62500 0.91667 0.50000 1.0000 + Cu Cu221 1.0 0.58333 0.95833 0.50000 1.0000 + Cu Cu222 1.0 0.54167 0.00000 0.50000 1.0000 + Cu Cu223 1.0 0.50000 0.04167 0.50000 1.0000 + Cu Cu224 1.0 0.45833 0.08333 0.50000 1.0000 + Cu Cu225 1.0 0.41667 0.12500 0.50000 1.0000 + Cu Cu226 1.0 0.37500 0.16667 0.50000 1.0000 + Cu Cu227 1.0 0.33333 0.20833 0.50000 1.0000 + Cu Cu228 1.0 0.29167 0.25000 0.50000 1.0000 + Cu Cu229 1.0 0.79167 0.83333 0.50000 1.0000 + Cu Cu230 1.0 0.75000 0.87500 0.50000 1.0000 + Cu Cu231 1.0 0.70833 0.91667 0.50000 1.0000 + Cu Cu232 1.0 0.66667 0.95833 0.50000 1.0000 + Cu Cu233 1.0 0.62500 0.00000 0.50000 1.0000 + Cu Cu234 1.0 0.58333 0.04167 0.50000 1.0000 + Cu Cu235 1.0 0.54167 0.08333 0.50000 1.0000 + Cu Cu236 1.0 0.50000 0.12500 0.50000 1.0000 + Cu Cu237 1.0 0.45833 0.16667 0.50000 1.0000 + Cu Cu238 1.0 0.41667 0.20833 0.50000 1.0000 + Cu Cu239 1.0 0.37500 0.25000 0.50000 1.0000 + Cu Cu240 1.0 0.33333 0.29167 0.50000 1.0000 + Cu Cu241 1.0 0.83333 0.87500 0.50000 1.0000 + Cu Cu242 1.0 0.79167 0.91667 0.50000 1.0000 + Cu Cu243 1.0 0.75000 0.95833 0.50000 1.0000 + Cu Cu244 1.0 0.70833 0.00000 0.50000 1.0000 + Cu Cu245 1.0 0.66667 0.04167 0.50000 1.0000 + Cu Cu246 1.0 0.62500 0.08333 0.50000 1.0000 + Cu Cu247 1.0 0.58333 0.12500 0.50000 1.0000 + Cu Cu248 1.0 0.54167 0.16667 0.50000 1.0000 + Cu Cu249 1.0 0.50000 0.20833 0.50000 1.0000 + Cu Cu250 1.0 0.45833 0.25000 0.50000 1.0000 + Cu Cu251 1.0 0.41667 0.29167 0.50000 1.0000 + Cu Cu252 1.0 0.37500 0.33333 0.50000 1.0000 + Cu Cu253 1.0 0.87500 0.91667 0.50000 1.0000 + Cu Cu254 1.0 0.83333 0.95833 0.50000 1.0000 + Cu Cu255 1.0 0.79167 0.00000 0.50000 1.0000 + Cu Cu256 1.0 0.75000 0.04167 0.50000 1.0000 + Cu Cu257 1.0 0.70833 0.08333 0.50000 1.0000 + Cu Cu258 1.0 0.66667 0.12500 0.50000 1.0000 + Cu Cu259 1.0 0.62500 0.16667 0.50000 1.0000 + Cu Cu260 1.0 0.58333 0.20833 0.50000 1.0000 + Cu Cu261 1.0 0.54167 0.25000 0.50000 1.0000 + Cu Cu262 1.0 0.50000 0.29167 0.50000 1.0000 + Cu Cu263 1.0 0.45833 0.33333 0.50000 1.0000 + Cu Cu264 1.0 0.41667 0.37500 0.50000 1.0000 + Cu Cu265 1.0 0.91667 0.95833 0.50000 1.0000 + Cu Cu266 1.0 0.87500 0.00000 0.50000 1.0000 + Cu Cu267 1.0 0.83333 0.04167 0.50000 1.0000 + Cu Cu268 1.0 0.79167 0.08333 0.50000 1.0000 + Cu Cu269 1.0 0.75000 0.12500 0.50000 1.0000 + Cu Cu270 1.0 0.70833 0.16667 0.50000 1.0000 + Cu Cu271 1.0 0.66667 0.20833 0.50000 1.0000 + Cu Cu272 1.0 0.62500 0.25000 0.50000 1.0000 + Cu Cu273 1.0 0.58333 0.29167 0.50000 1.0000 + Cu Cu274 1.0 0.54167 0.33333 0.50000 1.0000 + Cu Cu275 1.0 0.50000 0.37500 0.50000 1.0000 + Cu Cu276 1.0 0.45833 0.41667 0.50000 1.0000 + Cu Cu277 1.0 0.95833 1.00000 0.50000 1.0000 + Cu Cu278 1.0 0.91667 0.04167 0.50000 1.0000 + Cu Cu279 1.0 0.87500 0.08333 0.50000 1.0000 + Cu Cu280 1.0 0.83333 0.12500 0.50000 1.0000 + Cu Cu281 1.0 0.79167 0.16667 0.50000 1.0000 + Cu Cu282 1.0 0.75000 0.20833 0.50000 1.0000 + Cu Cu283 1.0 0.70833 0.25000 0.50000 1.0000 + Cu Cu284 1.0 0.66667 0.29167 0.50000 1.0000 + Cu Cu285 1.0 0.62500 0.33333 0.50000 1.0000 + Cu Cu286 1.0 0.58333 0.37500 0.50000 1.0000 + Cu Cu287 1.0 0.54167 0.41667 0.50000 1.0000 + Cu Cu288 1.0 0.50000 0.45833 0.50000 1.0000 + O O1153 1.0 0.47224 0.54166 0.66277 1.0000 + O O1154 1.0 0.43057 0.58333 0.66277 1.0000 + O O1155 1.0 0.38890 0.62500 0.66277 1.0000 + O O1156 1.0 0.34724 0.66666 0.66277 1.0000 + O O1157 1.0 0.30557 0.70833 0.66277 1.0000 + O O1158 1.0 0.26390 0.75000 0.66277 1.0000 + O O1159 1.0 0.22224 0.79166 0.66277 1.0000 + O O1160 1.0 0.18057 0.83333 0.66277 1.0000 + O O1161 1.0 0.13890 0.87500 0.66277 1.0000 + O O1162 1.0 0.09724 0.91666 0.66277 1.0000 + O O1163 1.0 0.05557 0.95833 0.66277 1.0000 + O O1164 1.0 0.01390 1.00000 0.66277 1.0000 + O O1165 1.0 0.51390 0.58333 0.66277 1.0000 + O O1166 1.0 0.47224 0.62500 0.66277 1.0000 + O O1167 1.0 0.43057 0.66666 0.66277 1.0000 + O O1168 1.0 0.38890 0.70833 0.66277 1.0000 + O O1169 1.0 0.34724 0.75000 0.66277 1.0000 + O O1170 1.0 0.30557 0.79166 0.66277 1.0000 + O O1171 1.0 0.26390 0.83333 0.66277 1.0000 + O O1172 1.0 0.22224 0.87500 0.66277 1.0000 + O O1173 1.0 0.18057 0.91666 0.66277 1.0000 + O O1174 1.0 0.13890 0.95833 0.66277 1.0000 + O O1175 1.0 0.09724 1.00000 0.66277 1.0000 + O O1176 1.0 0.05557 0.04166 0.66277 1.0000 + O O1177 1.0 0.55557 0.62500 0.66277 1.0000 + O O1178 1.0 0.51390 0.66666 0.66277 1.0000 + O O1179 1.0 0.47224 0.70833 0.66277 1.0000 + O O1180 1.0 0.43057 0.75000 0.66277 1.0000 + O O1181 1.0 0.38890 0.79166 0.66277 1.0000 + O O1182 1.0 0.34724 0.83333 0.66277 1.0000 + O O1183 1.0 0.30557 0.87500 0.66277 1.0000 + O O1184 1.0 0.26390 0.91666 0.66277 1.0000 + O O1185 1.0 0.22224 0.95833 0.66277 1.0000 + O O1186 1.0 0.18057 1.00000 0.66277 1.0000 + O O1187 1.0 0.13890 0.04166 0.66277 1.0000 + O O1188 1.0 0.09724 0.08333 0.66277 1.0000 + O O1189 1.0 0.59724 0.66666 0.66277 1.0000 + O O1190 1.0 0.55557 0.70833 0.66277 1.0000 + O O1191 1.0 0.51390 0.75000 0.66277 1.0000 + O O1192 1.0 0.47224 0.79166 0.66277 1.0000 + O O1193 1.0 0.43057 0.83333 0.66277 1.0000 + O O1194 1.0 0.38890 0.87500 0.66277 1.0000 + O O1195 1.0 0.34724 0.91666 0.66277 1.0000 + O O1196 1.0 0.30557 0.95833 0.66277 1.0000 + O O1197 1.0 0.26390 1.00000 0.66277 1.0000 + O O1198 1.0 0.22224 0.04166 0.66277 1.0000 + O O1199 1.0 0.18057 0.08333 0.66277 1.0000 + O O1200 1.0 0.13890 0.12500 0.66277 1.0000 + O O1201 1.0 0.63890 0.70833 0.66277 1.0000 + O O1202 1.0 0.59724 0.75000 0.66277 1.0000 + O O1203 1.0 0.55557 0.79166 0.66277 1.0000 + O O1204 1.0 0.51390 0.83333 0.66277 1.0000 + O O1205 1.0 0.47224 0.87500 0.66277 1.0000 + O O1206 1.0 0.43057 0.91666 0.66277 1.0000 + O O1207 1.0 0.38890 0.95833 0.66277 1.0000 + O O1208 1.0 0.34724 1.00000 0.66277 1.0000 + O O1209 1.0 0.30557 0.04166 0.66277 1.0000 + O O1210 1.0 0.26390 0.08333 0.66277 1.0000 + O O1211 1.0 0.22224 0.12500 0.66277 1.0000 + O O1212 1.0 0.18057 0.16666 0.66277 1.0000 + O O1213 1.0 0.68057 0.75000 0.66277 1.0000 + O O1214 1.0 0.63890 0.79166 0.66277 1.0000 + O O1215 1.0 0.59724 0.83333 0.66277 1.0000 + O O1216 1.0 0.55557 0.87500 0.66277 1.0000 + O O1217 1.0 0.51390 0.91666 0.66277 1.0000 + O O1218 1.0 0.47224 0.95833 0.66277 1.0000 + O O1219 1.0 0.43057 1.00000 0.66277 1.0000 + O O1220 1.0 0.38890 0.04166 0.66277 1.0000 + O O1221 1.0 0.34724 0.08333 0.66277 1.0000 + O O1222 1.0 0.30557 0.12500 0.66277 1.0000 + O O1223 1.0 0.26390 0.16666 0.66277 1.0000 + O O1224 1.0 0.22224 0.20833 0.66277 1.0000 + O O1225 1.0 0.72224 0.79166 0.66277 1.0000 + O O1226 1.0 0.68057 0.83333 0.66277 1.0000 + O O1227 1.0 0.63890 0.87500 0.66277 1.0000 + O O1228 1.0 0.59724 0.91666 0.66277 1.0000 + O O1229 1.0 0.55557 0.95833 0.66277 1.0000 + O O1230 1.0 0.51390 1.00000 0.66277 1.0000 + O O1231 1.0 0.47224 0.04166 0.66277 1.0000 + O O1232 1.0 0.43057 0.08333 0.66277 1.0000 + O O1233 1.0 0.38890 0.12500 0.66277 1.0000 + O O1234 1.0 0.34724 0.16666 0.66277 1.0000 + O O1235 1.0 0.30557 0.20833 0.66277 1.0000 + O O1236 1.0 0.26390 0.25000 0.66277 1.0000 + O O1237 1.0 0.76390 0.83333 0.66277 1.0000 + O O1238 1.0 0.72224 0.87500 0.66277 1.0000 + O O1239 1.0 0.68057 0.91666 0.66277 1.0000 + O O1240 1.0 0.63890 0.95833 0.66277 1.0000 + O O1241 1.0 0.59724 1.00000 0.66277 1.0000 + O O1242 1.0 0.55557 0.04166 0.66277 1.0000 + O O1243 1.0 0.51390 0.08333 0.66277 1.0000 + O O1244 1.0 0.47224 0.12500 0.66277 1.0000 + O O1245 1.0 0.43057 0.16666 0.66277 1.0000 + O O1246 1.0 0.38890 0.20833 0.66277 1.0000 + O O1247 1.0 0.34724 0.25000 0.66277 1.0000 + O O1248 1.0 0.30557 0.29166 0.66277 1.0000 + O O1249 1.0 0.80557 0.87500 0.66277 1.0000 + O O1250 1.0 0.76390 0.91666 0.66277 1.0000 + O O1251 1.0 0.72224 0.95833 0.66277 1.0000 + O O1252 1.0 0.68057 1.00000 0.66277 1.0000 + O O1253 1.0 0.63890 0.04166 0.66277 1.0000 + O O1254 1.0 0.59724 0.08333 0.66277 1.0000 + O O1255 1.0 0.55557 0.12500 0.66277 1.0000 + O O1256 1.0 0.51390 0.16666 0.66277 1.0000 + O O1257 1.0 0.47224 0.20833 0.66277 1.0000 + O O1258 1.0 0.43057 0.25000 0.66277 1.0000 + O O1259 1.0 0.38890 0.29166 0.66277 1.0000 + O O1260 1.0 0.34724 0.33333 0.66277 1.0000 + O O1261 1.0 0.84724 0.91666 0.66277 1.0000 + O O1262 1.0 0.80557 0.95833 0.66277 1.0000 + O O1263 1.0 0.76390 1.00000 0.66277 1.0000 + O O1264 1.0 0.72224 0.04166 0.66277 1.0000 + O O1265 1.0 0.68057 0.08333 0.66277 1.0000 + O O1266 1.0 0.63890 0.12500 0.66277 1.0000 + O O1267 1.0 0.59724 0.16666 0.66277 1.0000 + O O1268 1.0 0.55557 0.20833 0.66277 1.0000 + O O1269 1.0 0.51390 0.25000 0.66277 1.0000 + O O1270 1.0 0.47224 0.29166 0.66277 1.0000 + O O1271 1.0 0.43057 0.33333 0.66277 1.0000 + O O1272 1.0 0.38890 0.37500 0.66277 1.0000 + O O1273 1.0 0.88890 0.95833 0.66277 1.0000 + O O1274 1.0 0.84724 1.00000 0.66277 1.0000 + O O1275 1.0 0.80557 0.04166 0.66277 1.0000 + O O1276 1.0 0.76390 0.08333 0.66277 1.0000 + O O1277 1.0 0.72224 0.12500 0.66277 1.0000 + O O1278 1.0 0.68057 0.16666 0.66277 1.0000 + O O1279 1.0 0.63890 0.20833 0.66277 1.0000 + O O1280 1.0 0.59724 0.25000 0.66277 1.0000 + O O1281 1.0 0.55557 0.29166 0.66277 1.0000 + O O1282 1.0 0.51390 0.33333 0.66277 1.0000 + O O1283 1.0 0.47224 0.37500 0.66277 1.0000 + O O1284 1.0 0.43057 0.41666 0.66277 1.0000 + O O1285 1.0 0.93057 1.00000 0.66277 1.0000 + O O1286 1.0 0.88890 0.04166 0.66277 1.0000 + O O1287 1.0 0.84724 0.08333 0.66277 1.0000 + O O1288 1.0 0.80557 0.12500 0.66277 1.0000 + O O1289 1.0 0.76390 0.16666 0.66277 1.0000 + O O1290 1.0 0.72224 0.20833 0.66277 1.0000 + O O1291 1.0 0.68057 0.25000 0.66277 1.0000 + O O1292 1.0 0.63890 0.29166 0.66277 1.0000 + O O1293 1.0 0.59724 0.33333 0.66277 1.0000 + O O1294 1.0 0.55557 0.37500 0.66277 1.0000 + O O1295 1.0 0.51390 0.41666 0.66277 1.0000 + O O1296 1.0 0.47224 0.45833 0.66277 1.0000 + O O1297 1.0 0.49293 0.56289 0.66279 1.0000 + O O1298 1.0 0.45126 0.60455 0.66279 1.0000 + O O1299 1.0 0.40960 0.64622 0.66279 1.0000 + O O1300 1.0 0.36793 0.68789 0.66279 1.0000 + O O1301 1.0 0.32626 0.72955 0.66279 1.0000 + O O1302 1.0 0.28460 0.77122 0.66279 1.0000 + O O1303 1.0 0.24293 0.81289 0.66279 1.0000 + O O1304 1.0 0.20126 0.85455 0.66279 1.0000 + O O1305 1.0 0.15960 0.89622 0.66279 1.0000 + O O1306 1.0 0.11793 0.93789 0.66279 1.0000 + O O1307 1.0 0.07626 0.97955 0.66279 1.0000 + O O1308 1.0 0.03460 0.02122 0.66279 1.0000 + O O1309 1.0 0.53460 0.60455 0.66279 1.0000 + O O1310 1.0 0.49293 0.64622 0.66279 1.0000 + O O1311 1.0 0.45126 0.68789 0.66279 1.0000 + O O1312 1.0 0.40960 0.72955 0.66279 1.0000 + O O1313 1.0 0.36793 0.77122 0.66279 1.0000 + O O1314 1.0 0.32626 0.81289 0.66279 1.0000 + O O1315 1.0 0.28460 0.85455 0.66279 1.0000 + O O1316 1.0 0.24293 0.89622 0.66279 1.0000 + O O1317 1.0 0.20126 0.93789 0.66279 1.0000 + O O1318 1.0 0.15960 0.97955 0.66279 1.0000 + O O1319 1.0 0.11793 0.02122 0.66279 1.0000 + O O1320 1.0 0.07626 0.06289 0.66279 1.0000 + O O1321 1.0 0.57626 0.64622 0.66279 1.0000 + O O1322 1.0 0.53460 0.68789 0.66279 1.0000 + O O1323 1.0 0.49293 0.72955 0.66279 1.0000 + O O1324 1.0 0.45126 0.77122 0.66279 1.0000 + O O1325 1.0 0.40960 0.81289 0.66279 1.0000 + O O1326 1.0 0.36793 0.85455 0.66279 1.0000 + O O1327 1.0 0.32626 0.89622 0.66279 1.0000 + O O1328 1.0 0.28460 0.93789 0.66279 1.0000 + O O1329 1.0 0.24293 0.97955 0.66279 1.0000 + O O1330 1.0 0.20126 0.02122 0.66279 1.0000 + O O1331 1.0 0.15960 0.06289 0.66279 1.0000 + O O1332 1.0 0.11793 0.10455 0.66279 1.0000 + O O1333 1.0 0.61793 0.68789 0.66279 1.0000 + O O1334 1.0 0.57626 0.72955 0.66279 1.0000 + O O1335 1.0 0.53460 0.77122 0.66279 1.0000 + O O1336 1.0 0.49293 0.81289 0.66279 1.0000 + O O1337 1.0 0.45126 0.85455 0.66279 1.0000 + O O1338 1.0 0.40960 0.89622 0.66279 1.0000 + O O1339 1.0 0.36793 0.93789 0.66279 1.0000 + O O1340 1.0 0.32626 0.97955 0.66279 1.0000 + O O1341 1.0 0.28460 0.02122 0.66279 1.0000 + O O1342 1.0 0.24293 0.06289 0.66279 1.0000 + O O1343 1.0 0.20126 0.10455 0.66279 1.0000 + O O1344 1.0 0.15960 0.14622 0.66279 1.0000 + O O1345 1.0 0.65960 0.72955 0.66279 1.0000 + O O1346 1.0 0.61793 0.77122 0.66279 1.0000 + O O1347 1.0 0.57626 0.81289 0.66279 1.0000 + O O1348 1.0 0.53460 0.85455 0.66279 1.0000 + O O1349 1.0 0.49293 0.89622 0.66279 1.0000 + O O1350 1.0 0.45126 0.93789 0.66279 1.0000 + O O1351 1.0 0.40960 0.97955 0.66279 1.0000 + O O1352 1.0 0.36793 0.02122 0.66279 1.0000 + O O1353 1.0 0.32626 0.06289 0.66279 1.0000 + O O1354 1.0 0.28460 0.10455 0.66279 1.0000 + O O1355 1.0 0.24293 0.14622 0.66279 1.0000 + O O1356 1.0 0.20126 0.18789 0.66279 1.0000 + O O1357 1.0 0.70126 0.77122 0.66279 1.0000 + O O1358 1.0 0.65960 0.81289 0.66279 1.0000 + O O1359 1.0 0.61793 0.85455 0.66279 1.0000 + O O1360 1.0 0.57626 0.89622 0.66279 1.0000 + O O1361 1.0 0.53460 0.93789 0.66279 1.0000 + O O1362 1.0 0.49293 0.97955 0.66279 1.0000 + O O1363 1.0 0.45126 0.02122 0.66279 1.0000 + O O1364 1.0 0.40960 0.06289 0.66279 1.0000 + O O1365 1.0 0.36793 0.10455 0.66279 1.0000 + O O1366 1.0 0.32626 0.14622 0.66279 1.0000 + O O1367 1.0 0.28460 0.18789 0.66279 1.0000 + O O1368 1.0 0.24293 0.22955 0.66279 1.0000 + O O1369 1.0 0.74293 0.81289 0.66279 1.0000 + O O1370 1.0 0.70126 0.85455 0.66279 1.0000 + O O1371 1.0 0.65960 0.89622 0.66279 1.0000 + O O1372 1.0 0.61793 0.93789 0.66279 1.0000 + O O1373 1.0 0.57626 0.97955 0.66279 1.0000 + O O1374 1.0 0.53460 0.02122 0.66279 1.0000 + O O1375 1.0 0.49293 0.06289 0.66279 1.0000 + O O1376 1.0 0.45126 0.10455 0.66279 1.0000 + O O1377 1.0 0.40960 0.14622 0.66279 1.0000 + O O1378 1.0 0.36793 0.18789 0.66279 1.0000 + O O1379 1.0 0.32626 0.22955 0.66279 1.0000 + O O1380 1.0 0.28460 0.27122 0.66279 1.0000 + O O1381 1.0 0.78460 0.85455 0.66279 1.0000 + O O1382 1.0 0.74293 0.89622 0.66279 1.0000 + O O1383 1.0 0.70126 0.93789 0.66279 1.0000 + O O1384 1.0 0.65960 0.97955 0.66279 1.0000 + O O1385 1.0 0.61793 0.02122 0.66279 1.0000 + O O1386 1.0 0.57626 0.06289 0.66279 1.0000 + O O1387 1.0 0.53460 0.10455 0.66279 1.0000 + O O1388 1.0 0.49293 0.14622 0.66279 1.0000 + O O1389 1.0 0.45126 0.18789 0.66279 1.0000 + O O1390 1.0 0.40960 0.22955 0.66279 1.0000 + O O1391 1.0 0.36793 0.27122 0.66279 1.0000 + O O1392 1.0 0.32626 0.31289 0.66279 1.0000 + O O1393 1.0 0.82626 0.89622 0.66279 1.0000 + O O1394 1.0 0.78460 0.93789 0.66279 1.0000 + O O1395 1.0 0.74293 0.97955 0.66279 1.0000 + O O1396 1.0 0.70126 0.02122 0.66279 1.0000 + O O1397 1.0 0.65960 0.06289 0.66279 1.0000 + O O1398 1.0 0.61793 0.10455 0.66279 1.0000 + O O1399 1.0 0.57626 0.14622 0.66279 1.0000 + O O1400 1.0 0.53460 0.18789 0.66279 1.0000 + O O1401 1.0 0.49293 0.22955 0.66279 1.0000 + O O1402 1.0 0.45126 0.27122 0.66279 1.0000 + O O1403 1.0 0.40960 0.31289 0.66279 1.0000 + O O1404 1.0 0.36793 0.35455 0.66279 1.0000 + O O1405 1.0 0.86793 0.93789 0.66279 1.0000 + O O1406 1.0 0.82626 0.97955 0.66279 1.0000 + O O1407 1.0 0.78460 0.02122 0.66279 1.0000 + O O1408 1.0 0.74293 0.06289 0.66279 1.0000 + O O1409 1.0 0.70126 0.10455 0.66279 1.0000 + O O1410 1.0 0.65960 0.14622 0.66279 1.0000 + O O1411 1.0 0.61793 0.18789 0.66279 1.0000 + O O1412 1.0 0.57626 0.22955 0.66279 1.0000 + O O1413 1.0 0.53460 0.27122 0.66279 1.0000 + O O1414 1.0 0.49293 0.31289 0.66279 1.0000 + O O1415 1.0 0.45126 0.35455 0.66279 1.0000 + O O1416 1.0 0.40960 0.39622 0.66279 1.0000 + O O1417 1.0 0.90960 0.97955 0.66279 1.0000 + O O1418 1.0 0.86793 0.02122 0.66279 1.0000 + O O1419 1.0 0.82626 0.06289 0.66279 1.0000 + O O1420 1.0 0.78460 0.10455 0.66279 1.0000 + O O1421 1.0 0.74293 0.14622 0.66279 1.0000 + O O1422 1.0 0.70126 0.18789 0.66279 1.0000 + O O1423 1.0 0.65960 0.22955 0.66279 1.0000 + O O1424 1.0 0.61793 0.27122 0.66279 1.0000 + O O1425 1.0 0.57626 0.31289 0.66279 1.0000 + O O1426 1.0 0.53460 0.35455 0.66279 1.0000 + O O1427 1.0 0.49293 0.39622 0.66279 1.0000 + O O1428 1.0 0.45126 0.43789 0.66279 1.0000 + O O1429 1.0 0.95126 0.02122 0.66279 1.0000 + O O1430 1.0 0.90960 0.06289 0.66279 1.0000 + O O1431 1.0 0.86793 0.10455 0.66279 1.0000 + O O1432 1.0 0.82626 0.14622 0.66279 1.0000 + O O1433 1.0 0.78460 0.18789 0.66279 1.0000 + O O1434 1.0 0.74293 0.22955 0.66279 1.0000 + O O1435 1.0 0.70126 0.27122 0.66279 1.0000 + O O1436 1.0 0.65960 0.31289 0.66279 1.0000 + O O1437 1.0 0.61793 0.35455 0.66279 1.0000 + O O1438 1.0 0.57626 0.39622 0.66279 1.0000 + O O1439 1.0 0.53460 0.43789 0.66279 1.0000 + O O1440 1.0 0.49293 0.47955 0.66279 1.0000 + O O1441 1.0 0.49295 0.52049 0.66258 1.0000 + O O1442 1.0 0.45128 0.56216 0.66258 1.0000 + O O1443 1.0 0.40961 0.60382 0.66258 1.0000 + O O1444 1.0 0.36795 0.64549 0.66258 1.0000 + O O1445 1.0 0.32628 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1.0000 + O O2267 1.0 0.40267 0.29167 0.33825 1.0000 + O O2268 1.0 0.36100 0.33334 0.33825 1.0000 + O O2269 1.0 0.86100 0.91667 0.33825 1.0000 + O O2270 1.0 0.81934 0.95834 0.33825 1.0000 + O O2271 1.0 0.77767 0.00000 0.33825 1.0000 + O O2272 1.0 0.73600 0.04167 0.33825 1.0000 + O O2273 1.0 0.69434 0.08334 0.33825 1.0000 + O O2274 1.0 0.65267 0.12500 0.33825 1.0000 + O O2275 1.0 0.61100 0.16667 0.33825 1.0000 + O O2276 1.0 0.56934 0.20834 0.33825 1.0000 + O O2277 1.0 0.52767 0.25000 0.33825 1.0000 + O O2278 1.0 0.48600 0.29167 0.33825 1.0000 + O O2279 1.0 0.44434 0.33334 0.33825 1.0000 + O O2280 1.0 0.40267 0.37500 0.33825 1.0000 + O O2281 1.0 0.90267 0.95834 0.33825 1.0000 + O O2282 1.0 0.86100 0.00000 0.33825 1.0000 + O O2283 1.0 0.81934 0.04167 0.33825 1.0000 + O O2284 1.0 0.77767 0.08334 0.33825 1.0000 + O O2285 1.0 0.73600 0.12500 0.33825 1.0000 + O O2286 1.0 0.69434 0.16667 0.33825 1.0000 + O O2287 1.0 0.65267 0.20834 0.33825 1.0000 + O O2288 1.0 0.61100 0.25000 0.33825 1.0000 + O O2289 1.0 0.56934 0.29167 0.33825 1.0000 + O O2290 1.0 0.52767 0.33334 0.33825 1.0000 + O O2291 1.0 0.48600 0.37500 0.33825 1.0000 + O O2292 1.0 0.44434 0.41667 0.33825 1.0000 + O O2293 1.0 0.94434 0.00000 0.33825 1.0000 + O O2294 1.0 0.90267 0.04167 0.33825 1.0000 + O O2295 1.0 0.86100 0.08334 0.33825 1.0000 + O O2296 1.0 0.81934 0.12500 0.33825 1.0000 + O O2297 1.0 0.77767 0.16667 0.33825 1.0000 + O O2298 1.0 0.73600 0.20834 0.33825 1.0000 + O O2299 1.0 0.69434 0.25000 0.33825 1.0000 + O O2300 1.0 0.65267 0.29167 0.33825 1.0000 + O O2301 1.0 0.61100 0.33334 0.33825 1.0000 + O O2302 1.0 0.56934 0.37500 0.33825 1.0000 + O O2303 1.0 0.52767 0.41667 0.33825 1.0000 + O O2304 1.0 0.48600 0.45834 0.33825 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5275_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5275_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..44f4e9016690f4a89ce598265bded2c813d7d907 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5275_supercell_12x12x1.cif @@ -0,0 +1,3481 @@ +data_image0 +_chemical_formula_structural Mn144Co432O1152Mn144Co432O1152 +_chemical_formula_sum "Mn288 Co864 O2304" +_cell_length_a 121.86 +_cell_length_b 70.3562 +_cell_length_c 5.91107 +_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 0.05556 0.00000 0.50000 1.0000 + Mn Mn2 1.0 0.09722 0.04167 0.50000 1.0000 + Mn Mn3 1.0 0.13889 0.08333 0.50000 1.0000 + Mn Mn4 1.0 0.18056 0.12500 0.50000 1.0000 + Mn Mn5 1.0 0.22222 0.16667 0.50000 1.0000 + Mn Mn6 1.0 0.26389 0.20833 0.50000 1.0000 + Mn Mn7 1.0 0.30556 0.25000 0.50000 1.0000 + Mn Mn8 1.0 0.34722 0.29167 0.50000 1.0000 + Mn Mn9 1.0 0.38889 0.33333 0.50000 1.0000 + Mn Mn10 1.0 0.43056 0.37500 0.50000 1.0000 + Mn Mn11 1.0 0.47222 0.41667 0.50000 1.0000 + Mn Mn12 1.0 0.51389 0.45833 0.50000 1.0000 + Mn Mn13 1.0 0.09722 0.95833 0.50000 1.0000 + Mn Mn14 1.0 0.13889 0.00000 0.50000 1.0000 + Mn Mn15 1.0 0.18056 0.04167 0.50000 1.0000 + Mn Mn16 1.0 0.22222 0.08333 0.50000 1.0000 + Mn Mn17 1.0 0.26389 0.12500 0.50000 1.0000 + Mn Mn18 1.0 0.30556 0.16667 0.50000 1.0000 + Mn Mn19 1.0 0.34722 0.20833 0.50000 1.0000 + Mn Mn20 1.0 0.38889 0.25000 0.50000 1.0000 + Mn Mn21 1.0 0.43056 0.29167 0.50000 1.0000 + Mn Mn22 1.0 0.47222 0.33333 0.50000 1.0000 + Mn Mn23 1.0 0.51389 0.37500 0.50000 1.0000 + Mn Mn24 1.0 0.55556 0.41667 0.50000 1.0000 + Mn Mn25 1.0 0.13889 0.91667 0.50000 1.0000 + Mn Mn26 1.0 0.18056 0.95833 0.50000 1.0000 + Mn Mn27 1.0 0.22222 0.00000 0.50000 1.0000 + Mn Mn28 1.0 0.26389 0.04167 0.50000 1.0000 + Mn Mn29 1.0 0.30556 0.08333 0.50000 1.0000 + Mn Mn30 1.0 0.34722 0.12500 0.50000 1.0000 + Mn Mn31 1.0 0.38889 0.16667 0.50000 1.0000 + Mn Mn32 1.0 0.43056 0.20833 0.50000 1.0000 + Mn Mn33 1.0 0.47222 0.25000 0.50000 1.0000 + Mn Mn34 1.0 0.51389 0.29167 0.50000 1.0000 + Mn Mn35 1.0 0.55556 0.33333 0.50000 1.0000 + Mn Mn36 1.0 0.59722 0.37500 0.50000 1.0000 + Mn Mn37 1.0 0.18056 0.87500 0.50000 1.0000 + Mn Mn38 1.0 0.22222 0.91667 0.50000 1.0000 + Mn Mn39 1.0 0.26389 0.95833 0.50000 1.0000 + Mn Mn40 1.0 0.30556 0.00000 0.50000 1.0000 + Mn Mn41 1.0 0.34722 0.04167 0.50000 1.0000 + Mn Mn42 1.0 0.38889 0.08333 0.50000 1.0000 + Mn Mn43 1.0 0.43056 0.12500 0.50000 1.0000 + Mn Mn44 1.0 0.47222 0.16667 0.50000 1.0000 + Mn Mn45 1.0 0.51389 0.20833 0.50000 1.0000 + Mn Mn46 1.0 0.55556 0.25000 0.50000 1.0000 + Mn Mn47 1.0 0.59722 0.29167 0.50000 1.0000 + Mn Mn48 1.0 0.63889 0.33333 0.50000 1.0000 + Mn Mn49 1.0 0.22222 0.83333 0.50000 1.0000 + Mn Mn50 1.0 0.26389 0.87500 0.50000 1.0000 + Mn Mn51 1.0 0.30556 0.91667 0.50000 1.0000 + Mn Mn52 1.0 0.34722 0.95833 0.50000 1.0000 + Mn Mn53 1.0 0.38889 1.00000 0.50000 1.0000 + Mn Mn54 1.0 0.43056 0.04167 0.50000 1.0000 + Mn Mn55 1.0 0.47222 0.08333 0.50000 1.0000 + Mn Mn56 1.0 0.51389 0.12500 0.50000 1.0000 + Mn Mn57 1.0 0.55556 0.16667 0.50000 1.0000 + Mn Mn58 1.0 0.59722 0.20833 0.50000 1.0000 + Mn Mn59 1.0 0.63889 0.25000 0.50000 1.0000 + Mn Mn60 1.0 0.68056 0.29167 0.50000 1.0000 + Mn Mn61 1.0 0.26389 0.79167 0.50000 1.0000 + Mn Mn62 1.0 0.30556 0.83333 0.50000 1.0000 + Mn Mn63 1.0 0.34722 0.87500 0.50000 1.0000 + Mn Mn64 1.0 0.38889 0.91667 0.50000 1.0000 + Mn Mn65 1.0 0.43056 0.95833 0.50000 1.0000 + Mn Mn66 1.0 0.47222 0.00000 0.50000 1.0000 + Mn Mn67 1.0 0.51389 0.04167 0.50000 1.0000 + Mn Mn68 1.0 0.55556 0.08333 0.50000 1.0000 + Mn Mn69 1.0 0.59722 0.12500 0.50000 1.0000 + Mn Mn70 1.0 0.63889 0.16667 0.50000 1.0000 + Mn Mn71 1.0 0.68056 0.20833 0.50000 1.0000 + Mn Mn72 1.0 0.72222 0.25000 0.50000 1.0000 + Mn Mn73 1.0 0.30556 0.75000 0.50000 1.0000 + Mn Mn74 1.0 0.34722 0.79167 0.50000 1.0000 + Mn Mn75 1.0 0.38889 0.83333 0.50000 1.0000 + Mn Mn76 1.0 0.43056 0.87500 0.50000 1.0000 + Mn Mn77 1.0 0.47222 0.91667 0.50000 1.0000 + Mn Mn78 1.0 0.51389 0.95833 0.50000 1.0000 + Mn Mn79 1.0 0.55556 0.00000 0.50000 1.0000 + Mn Mn80 1.0 0.59722 0.04167 0.50000 1.0000 + Mn Mn81 1.0 0.63889 0.08333 0.50000 1.0000 + Mn Mn82 1.0 0.68056 0.12500 0.50000 1.0000 + Mn Mn83 1.0 0.72222 0.16667 0.50000 1.0000 + Mn Mn84 1.0 0.76389 0.20833 0.50000 1.0000 + Mn Mn85 1.0 0.34722 0.70833 0.50000 1.0000 + Mn Mn86 1.0 0.38889 0.75000 0.50000 1.0000 + Mn Mn87 1.0 0.43056 0.79167 0.50000 1.0000 + Mn Mn88 1.0 0.47222 0.83333 0.50000 1.0000 + Mn Mn89 1.0 0.51389 0.87500 0.50000 1.0000 + Mn Mn90 1.0 0.55556 0.91667 0.50000 1.0000 + Mn Mn91 1.0 0.59722 0.95833 0.50000 1.0000 + Mn Mn92 1.0 0.63889 1.00000 0.50000 1.0000 + Mn Mn93 1.0 0.68056 0.04167 0.50000 1.0000 + Mn Mn94 1.0 0.72222 0.08333 0.50000 1.0000 + Mn Mn95 1.0 0.76389 0.12500 0.50000 1.0000 + Mn Mn96 1.0 0.80556 0.16667 0.50000 1.0000 + Mn Mn97 1.0 0.38889 0.66667 0.50000 1.0000 + Mn Mn98 1.0 0.43056 0.70833 0.50000 1.0000 + Mn Mn99 1.0 0.47222 0.75000 0.50000 1.0000 + Mn Mn100 1.0 0.51389 0.79167 0.50000 1.0000 + Mn Mn101 1.0 0.55556 0.83333 0.50000 1.0000 + Mn Mn102 1.0 0.59722 0.87500 0.50000 1.0000 + Mn Mn103 1.0 0.63889 0.91667 0.50000 1.0000 + Mn Mn104 1.0 0.68056 0.95833 0.50000 1.0000 + Mn Mn105 1.0 0.72222 0.00000 0.50000 1.0000 + Mn Mn106 1.0 0.76389 0.04167 0.50000 1.0000 + Mn Mn107 1.0 0.80556 0.08333 0.50000 1.0000 + Mn Mn108 1.0 0.84722 0.12500 0.50000 1.0000 + Mn Mn109 1.0 0.43056 0.62500 0.50000 1.0000 + Mn Mn110 1.0 0.47222 0.66667 0.50000 1.0000 + Mn Mn111 1.0 0.51389 0.70833 0.50000 1.0000 + Mn Mn112 1.0 0.55556 0.75000 0.50000 1.0000 + Mn Mn113 1.0 0.59722 0.79167 0.50000 1.0000 + Mn Mn114 1.0 0.63889 0.83333 0.50000 1.0000 + Mn Mn115 1.0 0.68056 0.87500 0.50000 1.0000 + Mn Mn116 1.0 0.72222 0.91667 0.50000 1.0000 + Mn Mn117 1.0 0.76389 0.95833 0.50000 1.0000 + Mn Mn118 1.0 0.80556 0.00000 0.50000 1.0000 + Mn Mn119 1.0 0.84722 0.04167 0.50000 1.0000 + Mn Mn120 1.0 0.88889 0.08333 0.50000 1.0000 + Mn Mn121 1.0 0.47222 0.58333 0.50000 1.0000 + Mn Mn122 1.0 0.51389 0.62500 0.50000 1.0000 + Mn Mn123 1.0 0.55556 0.66667 0.50000 1.0000 + Mn Mn124 1.0 0.59722 0.70833 0.50000 1.0000 + Mn Mn125 1.0 0.63889 0.75000 0.50000 1.0000 + Mn Mn126 1.0 0.68056 0.79167 0.50000 1.0000 + Mn Mn127 1.0 0.72222 0.83333 0.50000 1.0000 + Mn Mn128 1.0 0.76389 0.87500 0.50000 1.0000 + Mn Mn129 1.0 0.80556 0.91667 0.50000 1.0000 + Mn Mn130 1.0 0.84722 0.95833 0.50000 1.0000 + Mn Mn131 1.0 0.88889 0.00000 0.50000 1.0000 + Mn Mn132 1.0 0.93056 0.04167 0.50000 1.0000 + Mn Mn133 1.0 0.51389 0.54167 0.50000 1.0000 + Mn Mn134 1.0 0.55556 0.58333 0.50000 1.0000 + Mn Mn135 1.0 0.59722 0.62500 0.50000 1.0000 + Mn Mn136 1.0 0.63889 0.66667 0.50000 1.0000 + Mn Mn137 1.0 0.68056 0.70833 0.50000 1.0000 + Mn Mn138 1.0 0.72222 0.75000 0.50000 1.0000 + Mn Mn139 1.0 0.76389 0.79167 0.50000 1.0000 + Mn Mn140 1.0 0.80556 0.83333 0.50000 1.0000 + Mn Mn141 1.0 0.84722 0.87500 0.50000 1.0000 + Mn Mn142 1.0 0.88889 0.91667 0.50000 1.0000 + Mn Mn143 1.0 0.93056 0.95833 0.50000 1.0000 + Mn Mn144 1.0 0.97222 1.00000 0.50000 1.0000 + Co Co1 1.0 0.03472 0.97917 0.50000 1.0000 + Co Co2 1.0 0.07639 0.02083 0.50000 1.0000 + Co Co3 1.0 0.11806 0.06250 0.50000 1.0000 + Co Co4 1.0 0.15972 0.10417 0.50000 1.0000 + Co Co5 1.0 0.20139 0.14583 0.50000 1.0000 + Co Co6 1.0 0.24306 0.18750 0.50000 1.0000 + Co Co7 1.0 0.28472 0.22917 0.50000 1.0000 + Co Co8 1.0 0.32639 0.27083 0.50000 1.0000 + Co Co9 1.0 0.36806 0.31250 0.50000 1.0000 + Co Co10 1.0 0.40972 0.35417 0.50000 1.0000 + Co Co11 1.0 0.45139 0.39583 0.50000 1.0000 + Co Co12 1.0 0.49306 0.43750 0.50000 1.0000 + Co Co13 1.0 0.07639 0.93750 0.50000 1.0000 + Co Co14 1.0 0.11806 0.97917 0.50000 1.0000 + Co Co15 1.0 0.15972 0.02083 0.50000 1.0000 + Co Co16 1.0 0.20139 0.06250 0.50000 1.0000 + Co Co17 1.0 0.24306 0.10417 0.50000 1.0000 + Co Co18 1.0 0.28472 0.14583 0.50000 1.0000 + Co Co19 1.0 0.32639 0.18750 0.50000 1.0000 + Co Co20 1.0 0.36806 0.22917 0.50000 1.0000 + Co Co21 1.0 0.40972 0.27083 0.50000 1.0000 + Co Co22 1.0 0.45139 0.31250 0.50000 1.0000 + Co Co23 1.0 0.49306 0.35417 0.50000 1.0000 + Co Co24 1.0 0.53472 0.39583 0.50000 1.0000 + Co Co25 1.0 0.11806 0.89583 0.50000 1.0000 + Co Co26 1.0 0.15972 0.93750 0.50000 1.0000 + Co Co27 1.0 0.20139 0.97917 0.50000 1.0000 + Co Co28 1.0 0.24306 0.02083 0.50000 1.0000 + Co Co29 1.0 0.28472 0.06250 0.50000 1.0000 + Co Co30 1.0 0.32639 0.10417 0.50000 1.0000 + Co Co31 1.0 0.36806 0.14583 0.50000 1.0000 + Co Co32 1.0 0.40972 0.18750 0.50000 1.0000 + Co Co33 1.0 0.45139 0.22917 0.50000 1.0000 + Co Co34 1.0 0.49306 0.27083 0.50000 1.0000 + Co Co35 1.0 0.53472 0.31250 0.50000 1.0000 + Co Co36 1.0 0.57639 0.35417 0.50000 1.0000 + Co Co37 1.0 0.15972 0.85417 0.50000 1.0000 + Co Co38 1.0 0.20139 0.89583 0.50000 1.0000 + Co Co39 1.0 0.24306 0.93750 0.50000 1.0000 + Co Co40 1.0 0.28472 0.97917 0.50000 1.0000 + Co Co41 1.0 0.32639 0.02083 0.50000 1.0000 + Co Co42 1.0 0.36806 0.06250 0.50000 1.0000 + Co Co43 1.0 0.40972 0.10417 0.50000 1.0000 + Co Co44 1.0 0.45139 0.14583 0.50000 1.0000 + Co Co45 1.0 0.49306 0.18750 0.50000 1.0000 + Co Co46 1.0 0.53472 0.22917 0.50000 1.0000 + Co Co47 1.0 0.57639 0.27083 0.50000 1.0000 + Co Co48 1.0 0.61806 0.31250 0.50000 1.0000 + Co Co49 1.0 0.20139 0.81250 0.50000 1.0000 + Co Co50 1.0 0.24306 0.85417 0.50000 1.0000 + Co Co51 1.0 0.28472 0.89583 0.50000 1.0000 + Co Co52 1.0 0.32639 0.93750 0.50000 1.0000 + Co Co53 1.0 0.36806 0.97917 0.50000 1.0000 + Co Co54 1.0 0.40972 0.02083 0.50000 1.0000 + Co Co55 1.0 0.45139 0.06250 0.50000 1.0000 + Co Co56 1.0 0.49306 0.10417 0.50000 1.0000 + Co Co57 1.0 0.53472 0.14583 0.50000 1.0000 + Co Co58 1.0 0.57639 0.18750 0.50000 1.0000 + Co Co59 1.0 0.61806 0.22917 0.50000 1.0000 + Co Co60 1.0 0.65972 0.27083 0.50000 1.0000 + Co Co61 1.0 0.24306 0.77083 0.50000 1.0000 + Co Co62 1.0 0.28472 0.81250 0.50000 1.0000 + Co Co63 1.0 0.32639 0.85417 0.50000 1.0000 + Co Co64 1.0 0.36806 0.89583 0.50000 1.0000 + Co Co65 1.0 0.40972 0.93750 0.50000 1.0000 + Co Co66 1.0 0.45139 0.97917 0.50000 1.0000 + Co Co67 1.0 0.49306 0.02083 0.50000 1.0000 + Co Co68 1.0 0.53472 0.06250 0.50000 1.0000 + Co Co69 1.0 0.57639 0.10417 0.50000 1.0000 + Co Co70 1.0 0.61806 0.14583 0.50000 1.0000 + Co Co71 1.0 0.65972 0.18750 0.50000 1.0000 + Co Co72 1.0 0.70139 0.22917 0.50000 1.0000 + Co Co73 1.0 0.28472 0.72917 0.50000 1.0000 + Co Co74 1.0 0.32639 0.77083 0.50000 1.0000 + Co Co75 1.0 0.36806 0.81250 0.50000 1.0000 + Co Co76 1.0 0.40972 0.85417 0.50000 1.0000 + Co Co77 1.0 0.45139 0.89583 0.50000 1.0000 + Co Co78 1.0 0.49306 0.93750 0.50000 1.0000 + Co Co79 1.0 0.53472 0.97917 0.50000 1.0000 + Co Co80 1.0 0.57639 0.02083 0.50000 1.0000 + Co Co81 1.0 0.61806 0.06250 0.50000 1.0000 + Co Co82 1.0 0.65972 0.10417 0.50000 1.0000 + Co Co83 1.0 0.70139 0.14583 0.50000 1.0000 + Co Co84 1.0 0.74306 0.18750 0.50000 1.0000 + Co Co85 1.0 0.32639 0.68750 0.50000 1.0000 + Co Co86 1.0 0.36806 0.72917 0.50000 1.0000 + Co Co87 1.0 0.40972 0.77083 0.50000 1.0000 + Co Co88 1.0 0.45139 0.81250 0.50000 1.0000 + Co Co89 1.0 0.49306 0.85417 0.50000 1.0000 + Co Co90 1.0 0.53472 0.89583 0.50000 1.0000 + Co Co91 1.0 0.57639 0.93750 0.50000 1.0000 + Co Co92 1.0 0.61806 0.97917 0.50000 1.0000 + Co Co93 1.0 0.65972 0.02083 0.50000 1.0000 + Co Co94 1.0 0.70139 0.06250 0.50000 1.0000 + Co Co95 1.0 0.74306 0.10417 0.50000 1.0000 + Co Co96 1.0 0.78472 0.14583 0.50000 1.0000 + Co Co97 1.0 0.36806 0.64583 0.50000 1.0000 + Co Co98 1.0 0.40972 0.68750 0.50000 1.0000 + Co Co99 1.0 0.45139 0.72917 0.50000 1.0000 + Co Co100 1.0 0.49306 0.77083 0.50000 1.0000 + Co Co101 1.0 0.53472 0.81250 0.50000 1.0000 + Co Co102 1.0 0.57639 0.85417 0.50000 1.0000 + Co Co103 1.0 0.61806 0.89583 0.50000 1.0000 + Co Co104 1.0 0.65972 0.93750 0.50000 1.0000 + Co Co105 1.0 0.70139 0.97917 0.50000 1.0000 + Co Co106 1.0 0.74306 0.02083 0.50000 1.0000 + Co Co107 1.0 0.78472 0.06250 0.50000 1.0000 + Co Co108 1.0 0.82639 0.10417 0.50000 1.0000 + Co Co109 1.0 0.40972 0.60417 0.50000 1.0000 + Co Co110 1.0 0.45139 0.64583 0.50000 1.0000 + Co Co111 1.0 0.49306 0.68750 0.50000 1.0000 + Co Co112 1.0 0.53472 0.72917 0.50000 1.0000 + Co Co113 1.0 0.57639 0.77083 0.50000 1.0000 + Co Co114 1.0 0.61806 0.81250 0.50000 1.0000 + Co Co115 1.0 0.65972 0.85417 0.50000 1.0000 + Co Co116 1.0 0.70139 0.89583 0.50000 1.0000 + Co Co117 1.0 0.74306 0.93750 0.50000 1.0000 + Co Co118 1.0 0.78472 0.97917 0.50000 1.0000 + Co Co119 1.0 0.82639 0.02083 0.50000 1.0000 + Co Co120 1.0 0.86806 0.06250 0.50000 1.0000 + Co Co121 1.0 0.45139 0.56250 0.50000 1.0000 + Co Co122 1.0 0.49306 0.60417 0.50000 1.0000 + Co Co123 1.0 0.53472 0.64583 0.50000 1.0000 + Co Co124 1.0 0.57639 0.68750 0.50000 1.0000 + Co Co125 1.0 0.61806 0.72917 0.50000 1.0000 + Co Co126 1.0 0.65972 0.77083 0.50000 1.0000 + Co Co127 1.0 0.70139 0.81250 0.50000 1.0000 + Co Co128 1.0 0.74306 0.85417 0.50000 1.0000 + Co Co129 1.0 0.78472 0.89583 0.50000 1.0000 + Co Co130 1.0 0.82639 0.93750 0.50000 1.0000 + Co Co131 1.0 0.86806 0.97917 0.50000 1.0000 + Co Co132 1.0 0.90972 0.02083 0.50000 1.0000 + Co Co133 1.0 0.49306 0.52083 0.50000 1.0000 + Co Co134 1.0 0.53472 0.56250 0.50000 1.0000 + Co Co135 1.0 0.57639 0.60417 0.50000 1.0000 + Co Co136 1.0 0.61806 0.64583 0.50000 1.0000 + Co Co137 1.0 0.65972 0.68750 0.50000 1.0000 + Co Co138 1.0 0.70139 0.72917 0.50000 1.0000 + Co Co139 1.0 0.74306 0.77083 0.50000 1.0000 + Co Co140 1.0 0.78472 0.81250 0.50000 1.0000 + Co Co141 1.0 0.82639 0.85417 0.50000 1.0000 + Co Co142 1.0 0.86806 0.89583 0.50000 1.0000 + Co Co143 1.0 0.90972 0.93750 0.50000 1.0000 + Co Co144 1.0 0.95139 0.97917 0.50000 1.0000 + Co Co145 1.0 0.01389 0.00000 0.50000 1.0000 + Co Co146 1.0 0.05556 0.04167 0.50000 1.0000 + Co Co147 1.0 0.09722 0.08333 0.50000 1.0000 + Co Co148 1.0 0.13889 0.12500 0.50000 1.0000 + Co Co149 1.0 0.18056 0.16667 0.50000 1.0000 + Co Co150 1.0 0.22222 0.20833 0.50000 1.0000 + Co Co151 1.0 0.26389 0.25000 0.50000 1.0000 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0.50000 1.0000 + Co Co174 1.0 0.30556 0.12500 0.50000 1.0000 + Co Co175 1.0 0.34722 0.16667 0.50000 1.0000 + Co Co176 1.0 0.38889 0.20833 0.50000 1.0000 + Co Co177 1.0 0.43056 0.25000 0.50000 1.0000 + Co Co178 1.0 0.47222 0.29167 0.50000 1.0000 + Co Co179 1.0 0.51389 0.33333 0.50000 1.0000 + Co Co180 1.0 0.55556 0.37500 0.50000 1.0000 + Co Co181 1.0 0.13889 0.87500 0.50000 1.0000 + Co Co182 1.0 0.18056 0.91667 0.50000 1.0000 + Co Co183 1.0 0.22222 0.95833 0.50000 1.0000 + Co Co184 1.0 0.26389 0.00000 0.50000 1.0000 + Co Co185 1.0 0.30556 0.04167 0.50000 1.0000 + Co Co186 1.0 0.34722 0.08333 0.50000 1.0000 + Co Co187 1.0 0.38889 0.12500 0.50000 1.0000 + Co Co188 1.0 0.43056 0.16667 0.50000 1.0000 + Co Co189 1.0 0.47222 0.20833 0.50000 1.0000 + Co Co190 1.0 0.51389 0.25000 0.50000 1.0000 + Co Co191 1.0 0.55556 0.29167 0.50000 1.0000 + Co Co192 1.0 0.59722 0.33333 0.50000 1.0000 + Co Co193 1.0 0.18056 0.83333 0.50000 1.0000 + Co Co194 1.0 0.22222 0.87500 0.50000 1.0000 + Co Co195 1.0 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0.68743 0.31230 0.66165 1.0000 + O O1069 1.0 0.27077 0.81230 0.66165 1.0000 + O O1070 1.0 0.31243 0.85397 0.66165 1.0000 + O O1071 1.0 0.35410 0.89564 0.66165 1.0000 + O O1072 1.0 0.39577 0.93730 0.66165 1.0000 + O O1073 1.0 0.43743 0.97897 0.66165 1.0000 + O O1074 1.0 0.47910 0.02064 0.66165 1.0000 + O O1075 1.0 0.52077 0.06230 0.66165 1.0000 + O O1076 1.0 0.56243 0.10397 0.66165 1.0000 + O O1077 1.0 0.60410 0.14564 0.66165 1.0000 + O O1078 1.0 0.64577 0.18730 0.66165 1.0000 + O O1079 1.0 0.68743 0.22897 0.66165 1.0000 + O O1080 1.0 0.72910 0.27064 0.66165 1.0000 + O O1081 1.0 0.31243 0.77064 0.66165 1.0000 + O O1082 1.0 0.35410 0.81230 0.66165 1.0000 + O O1083 1.0 0.39577 0.85397 0.66165 1.0000 + O O1084 1.0 0.43743 0.89564 0.66165 1.0000 + O O1085 1.0 0.47910 0.93730 0.66165 1.0000 + O O1086 1.0 0.52077 0.97897 0.66165 1.0000 + O O1087 1.0 0.56243 0.02064 0.66165 1.0000 + O O1088 1.0 0.60410 0.06230 0.66165 1.0000 + O O1089 1.0 0.64577 0.10397 0.66165 1.0000 + O O1090 1.0 0.68743 0.14564 0.66165 1.0000 + O O1091 1.0 0.72910 0.18730 0.66165 1.0000 + O O1092 1.0 0.77077 0.22897 0.66165 1.0000 + O O1093 1.0 0.35410 0.72897 0.66165 1.0000 + O O1094 1.0 0.39577 0.77064 0.66165 1.0000 + O O1095 1.0 0.43743 0.81230 0.66165 1.0000 + O O1096 1.0 0.47910 0.85397 0.66165 1.0000 + O O1097 1.0 0.52077 0.89564 0.66165 1.0000 + O O1098 1.0 0.56243 0.93730 0.66165 1.0000 + O O1099 1.0 0.60410 0.97897 0.66165 1.0000 + O O1100 1.0 0.64577 0.02064 0.66165 1.0000 + O O1101 1.0 0.68743 0.06230 0.66165 1.0000 + O O1102 1.0 0.72910 0.10397 0.66165 1.0000 + O O1103 1.0 0.77077 0.14564 0.66165 1.0000 + O O1104 1.0 0.81243 0.18730 0.66165 1.0000 + O O1105 1.0 0.39577 0.68730 0.66165 1.0000 + O O1106 1.0 0.43743 0.72897 0.66165 1.0000 + O O1107 1.0 0.47910 0.77064 0.66165 1.0000 + O O1108 1.0 0.52077 0.81230 0.66165 1.0000 + O O1109 1.0 0.56243 0.85397 0.66165 1.0000 + O O1110 1.0 0.60410 0.89564 0.66165 1.0000 + O O1111 1.0 0.64577 0.93730 0.66165 1.0000 + O O1112 1.0 0.68743 0.97897 0.66165 1.0000 + O O1113 1.0 0.72910 0.02064 0.66165 1.0000 + O O1114 1.0 0.77077 0.06230 0.66165 1.0000 + O O1115 1.0 0.81243 0.10397 0.66165 1.0000 + O O1116 1.0 0.85410 0.14564 0.66165 1.0000 + O O1117 1.0 0.43743 0.64564 0.66165 1.0000 + O O1118 1.0 0.47910 0.68730 0.66165 1.0000 + O O1119 1.0 0.52077 0.72897 0.66165 1.0000 + O O1120 1.0 0.56243 0.77064 0.66165 1.0000 + O O1121 1.0 0.60410 0.81230 0.66165 1.0000 + O O1122 1.0 0.64577 0.85397 0.66165 1.0000 + O O1123 1.0 0.68743 0.89564 0.66165 1.0000 + O O1124 1.0 0.72910 0.93730 0.66165 1.0000 + O O1125 1.0 0.77077 0.97897 0.66165 1.0000 + O O1126 1.0 0.81243 0.02064 0.66165 1.0000 + O O1127 1.0 0.85410 0.06230 0.66165 1.0000 + O O1128 1.0 0.89577 0.10397 0.66165 1.0000 + O O1129 1.0 0.47910 0.60397 0.66165 1.0000 + O O1130 1.0 0.52077 0.64564 0.66165 1.0000 + O O1131 1.0 0.56243 0.68730 0.66165 1.0000 + O O1132 1.0 0.60410 0.72897 0.66165 1.0000 + O O1133 1.0 0.64577 0.77064 0.66165 1.0000 + O O1134 1.0 0.68743 0.81230 0.66165 1.0000 + O O1135 1.0 0.72910 0.85397 0.66165 1.0000 + O O1136 1.0 0.77077 0.89564 0.66165 1.0000 + O O1137 1.0 0.81243 0.93730 0.66165 1.0000 + O O1138 1.0 0.85410 0.97897 0.66165 1.0000 + O O1139 1.0 0.89577 0.02064 0.66165 1.0000 + O O1140 1.0 0.93743 0.06230 0.66165 1.0000 + O O1141 1.0 0.52077 0.56230 0.66165 1.0000 + O O1142 1.0 0.56243 0.60397 0.66165 1.0000 + O O1143 1.0 0.60410 0.64564 0.66165 1.0000 + O O1144 1.0 0.64577 0.68730 0.66165 1.0000 + O O1145 1.0 0.68743 0.72897 0.66165 1.0000 + O O1146 1.0 0.72910 0.77064 0.66165 1.0000 + O O1147 1.0 0.77077 0.81230 0.66165 1.0000 + O O1148 1.0 0.81243 0.85397 0.66165 1.0000 + O O1149 1.0 0.85410 0.89564 0.66165 1.0000 + O O1150 1.0 0.89577 0.93730 0.66165 1.0000 + O O1151 1.0 0.93743 0.97897 0.66165 1.0000 + O O1152 1.0 0.97910 0.02064 0.66165 1.0000 + Mn Mn145 1.0 0.55556 0.50000 0.50000 1.0000 + Mn Mn146 1.0 0.59722 0.54167 0.50000 1.0000 + Mn Mn147 1.0 0.63889 0.58333 0.50000 1.0000 + Mn Mn148 1.0 0.68056 0.62500 0.50000 1.0000 + Mn Mn149 1.0 0.72222 0.66667 0.50000 1.0000 + Mn Mn150 1.0 0.76389 0.70833 0.50000 1.0000 + Mn Mn151 1.0 0.80556 0.75000 0.50000 1.0000 + Mn Mn152 1.0 0.84722 0.79167 0.50000 1.0000 + Mn Mn153 1.0 0.88889 0.83333 0.50000 1.0000 + Mn Mn154 1.0 0.93056 0.87500 0.50000 1.0000 + Mn Mn155 1.0 0.97222 0.91667 0.50000 1.0000 + Mn Mn156 1.0 0.01389 0.95833 0.50000 1.0000 + Mn Mn157 1.0 0.59722 0.45833 0.50000 1.0000 + Mn Mn158 1.0 0.63889 0.50000 0.50000 1.0000 + Mn Mn159 1.0 0.68056 0.54167 0.50000 1.0000 + Mn Mn160 1.0 0.72222 0.58333 0.50000 1.0000 + Mn Mn161 1.0 0.76389 0.62500 0.50000 1.0000 + Mn Mn162 1.0 0.80556 0.66667 0.50000 1.0000 + Mn Mn163 1.0 0.84722 0.70833 0.50000 1.0000 + Mn Mn164 1.0 0.88889 0.75000 0.50000 1.0000 + Mn Mn165 1.0 0.93056 0.79167 0.50000 1.0000 + Mn Mn166 1.0 0.97222 0.83333 0.50000 1.0000 + Mn Mn167 1.0 0.01389 0.87500 0.50000 1.0000 + Mn Mn168 1.0 0.05556 0.91667 0.50000 1.0000 + Mn Mn169 1.0 0.63889 0.41667 0.50000 1.0000 + Mn Mn170 1.0 0.68056 0.45833 0.50000 1.0000 + Mn Mn171 1.0 0.72222 0.50000 0.50000 1.0000 + Mn Mn172 1.0 0.76389 0.54167 0.50000 1.0000 + Mn Mn173 1.0 0.80556 0.58333 0.50000 1.0000 + Mn Mn174 1.0 0.84722 0.62500 0.50000 1.0000 + Mn Mn175 1.0 0.88889 0.66667 0.50000 1.0000 + Mn Mn176 1.0 0.93056 0.70833 0.50000 1.0000 + Mn Mn177 1.0 0.97222 0.75000 0.50000 1.0000 + Mn Mn178 1.0 0.01389 0.79167 0.50000 1.0000 + Mn Mn179 1.0 0.05556 0.83333 0.50000 1.0000 + Mn Mn180 1.0 0.09722 0.87500 0.50000 1.0000 + Mn Mn181 1.0 0.68056 0.37500 0.50000 1.0000 + Mn Mn182 1.0 0.72222 0.41667 0.50000 1.0000 + Mn Mn183 1.0 0.76389 0.45833 0.50000 1.0000 + Mn Mn184 1.0 0.80556 0.50000 0.50000 1.0000 + Mn Mn185 1.0 0.84722 0.54167 0.50000 1.0000 + Mn Mn186 1.0 0.88889 0.58333 0.50000 1.0000 + Mn Mn187 1.0 0.93056 0.62500 0.50000 1.0000 + Mn Mn188 1.0 0.97222 0.66667 0.50000 1.0000 + Mn Mn189 1.0 0.01389 0.70833 0.50000 1.0000 + Mn Mn190 1.0 0.05556 0.75000 0.50000 1.0000 + Mn Mn191 1.0 0.09722 0.79167 0.50000 1.0000 + Mn Mn192 1.0 0.13889 0.83333 0.50000 1.0000 + Mn Mn193 1.0 0.72222 0.33333 0.50000 1.0000 + Mn Mn194 1.0 0.76389 0.37500 0.50000 1.0000 + Mn Mn195 1.0 0.80556 0.41667 0.50000 1.0000 + Mn Mn196 1.0 0.84722 0.45833 0.50000 1.0000 + Mn Mn197 1.0 0.88889 0.50000 0.50000 1.0000 + Mn Mn198 1.0 0.93056 0.54167 0.50000 1.0000 + Mn Mn199 1.0 0.97222 0.58333 0.50000 1.0000 + Mn Mn200 1.0 0.01389 0.62500 0.50000 1.0000 + Mn Mn201 1.0 0.05556 0.66667 0.50000 1.0000 + Mn Mn202 1.0 0.09722 0.70833 0.50000 1.0000 + Mn Mn203 1.0 0.13889 0.75000 0.50000 1.0000 + Mn Mn204 1.0 0.18056 0.79167 0.50000 1.0000 + Mn Mn205 1.0 0.76389 0.29167 0.50000 1.0000 + Mn Mn206 1.0 0.80556 0.33333 0.50000 1.0000 + Mn Mn207 1.0 0.84722 0.37500 0.50000 1.0000 + Mn Mn208 1.0 0.88889 0.41667 0.50000 1.0000 + Mn Mn209 1.0 0.93056 0.45833 0.50000 1.0000 + Mn Mn210 1.0 0.97222 0.50000 0.50000 1.0000 + Mn Mn211 1.0 0.01389 0.54167 0.50000 1.0000 + Mn Mn212 1.0 0.05556 0.58333 0.50000 1.0000 + Mn Mn213 1.0 0.09722 0.62500 0.50000 1.0000 + Mn Mn214 1.0 0.13889 0.66667 0.50000 1.0000 + Mn Mn215 1.0 0.18056 0.70833 0.50000 1.0000 + Mn Mn216 1.0 0.22222 0.75000 0.50000 1.0000 + Mn Mn217 1.0 0.80556 0.25000 0.50000 1.0000 + Mn Mn218 1.0 0.84722 0.29167 0.50000 1.0000 + Mn Mn219 1.0 0.88889 0.33333 0.50000 1.0000 + Mn Mn220 1.0 0.93056 0.37500 0.50000 1.0000 + Mn Mn221 1.0 0.97222 0.41667 0.50000 1.0000 + Mn Mn222 1.0 0.01389 0.45833 0.50000 1.0000 + Mn Mn223 1.0 0.05556 0.50000 0.50000 1.0000 + Mn Mn224 1.0 0.09722 0.54167 0.50000 1.0000 + Mn Mn225 1.0 0.13889 0.58333 0.50000 1.0000 + Mn Mn226 1.0 0.18056 0.62500 0.50000 1.0000 + Mn Mn227 1.0 0.22222 0.66667 0.50000 1.0000 + Mn Mn228 1.0 0.26389 0.70833 0.50000 1.0000 + Mn Mn229 1.0 0.84722 0.20833 0.50000 1.0000 + Mn Mn230 1.0 0.88889 0.25000 0.50000 1.0000 + Mn Mn231 1.0 0.93056 0.29167 0.50000 1.0000 + Mn Mn232 1.0 0.97222 0.33333 0.50000 1.0000 + Mn Mn233 1.0 0.01389 0.37500 0.50000 1.0000 + Mn Mn234 1.0 0.05556 0.41667 0.50000 1.0000 + Mn Mn235 1.0 0.09722 0.45833 0.50000 1.0000 + Mn Mn236 1.0 0.13889 0.50000 0.50000 1.0000 + Mn Mn237 1.0 0.18056 0.54167 0.50000 1.0000 + Mn Mn238 1.0 0.22222 0.58333 0.50000 1.0000 + Mn Mn239 1.0 0.26389 0.62500 0.50000 1.0000 + Mn Mn240 1.0 0.30556 0.66667 0.50000 1.0000 + Mn Mn241 1.0 0.88889 0.16667 0.50000 1.0000 + Mn Mn242 1.0 0.93056 0.20833 0.50000 1.0000 + Mn Mn243 1.0 0.97222 0.25000 0.50000 1.0000 + Mn Mn244 1.0 0.01389 0.29167 0.50000 1.0000 + Mn Mn245 1.0 0.05556 0.33333 0.50000 1.0000 + Mn Mn246 1.0 0.09722 0.37500 0.50000 1.0000 + Mn Mn247 1.0 0.13889 0.41667 0.50000 1.0000 + Mn Mn248 1.0 0.18056 0.45833 0.50000 1.0000 + Mn Mn249 1.0 0.22222 0.50000 0.50000 1.0000 + Mn Mn250 1.0 0.26389 0.54167 0.50000 1.0000 + Mn Mn251 1.0 0.30556 0.58333 0.50000 1.0000 + Mn Mn252 1.0 0.34722 0.62500 0.50000 1.0000 + Mn Mn253 1.0 0.93056 0.12500 0.50000 1.0000 + Mn Mn254 1.0 0.97222 0.16667 0.50000 1.0000 + Mn Mn255 1.0 0.01389 0.20833 0.50000 1.0000 + Mn Mn256 1.0 0.05556 0.25000 0.50000 1.0000 + Mn Mn257 1.0 0.09722 0.29167 0.50000 1.0000 + Mn Mn258 1.0 0.13889 0.33333 0.50000 1.0000 + Mn Mn259 1.0 0.18056 0.37500 0.50000 1.0000 + Mn Mn260 1.0 0.22222 0.41667 0.50000 1.0000 + Mn Mn261 1.0 0.26389 0.45833 0.50000 1.0000 + Mn Mn262 1.0 0.30556 0.50000 0.50000 1.0000 + Mn Mn263 1.0 0.34722 0.54167 0.50000 1.0000 + Mn Mn264 1.0 0.38889 0.58333 0.50000 1.0000 + Mn Mn265 1.0 0.97222 0.08333 0.50000 1.0000 + Mn Mn266 1.0 0.01389 0.12500 0.50000 1.0000 + Mn Mn267 1.0 0.05556 0.16667 0.50000 1.0000 + Mn Mn268 1.0 0.09722 0.20833 0.50000 1.0000 + Mn Mn269 1.0 0.13889 0.25000 0.50000 1.0000 + Mn Mn270 1.0 0.18056 0.29167 0.50000 1.0000 + Mn Mn271 1.0 0.22222 0.33333 0.50000 1.0000 + Mn Mn272 1.0 0.26389 0.37500 0.50000 1.0000 + Mn Mn273 1.0 0.30556 0.41667 0.50000 1.0000 + Mn Mn274 1.0 0.34722 0.45833 0.50000 1.0000 + Mn Mn275 1.0 0.38889 0.50000 0.50000 1.0000 + Mn Mn276 1.0 0.43056 0.54167 0.50000 1.0000 + Mn Mn277 1.0 0.01389 0.04167 0.50000 1.0000 + Mn Mn278 1.0 0.05556 0.08333 0.50000 1.0000 + Mn Mn279 1.0 0.09722 0.12500 0.50000 1.0000 + Mn Mn280 1.0 0.13889 0.16667 0.50000 1.0000 + Mn Mn281 1.0 0.18056 0.20833 0.50000 1.0000 + Mn Mn282 1.0 0.22222 0.25000 0.50000 1.0000 + Mn Mn283 1.0 0.26389 0.29167 0.50000 1.0000 + Mn Mn284 1.0 0.30556 0.33333 0.50000 1.0000 + Mn Mn285 1.0 0.34722 0.37500 0.50000 1.0000 + Mn Mn286 1.0 0.38889 0.41667 0.50000 1.0000 + Mn Mn287 1.0 0.43056 0.45833 0.50000 1.0000 + Mn Mn288 1.0 0.47222 0.50000 0.50000 1.0000 + Co Co433 1.0 0.53472 0.47917 0.50000 1.0000 + Co Co434 1.0 0.57639 0.52083 0.50000 1.0000 + Co Co435 1.0 0.61806 0.56250 0.50000 1.0000 + Co Co436 1.0 0.65972 0.60417 0.50000 1.0000 + Co Co437 1.0 0.70139 0.64583 0.50000 1.0000 + Co Co438 1.0 0.74306 0.68750 0.50000 1.0000 + Co Co439 1.0 0.78472 0.72917 0.50000 1.0000 + Co Co440 1.0 0.82639 0.77083 0.50000 1.0000 + Co Co441 1.0 0.86806 0.81250 0.50000 1.0000 + Co Co442 1.0 0.90972 0.85417 0.50000 1.0000 + Co Co443 1.0 0.95139 0.89583 0.50000 1.0000 + Co Co444 1.0 0.99306 0.93750 0.50000 1.0000 + Co Co445 1.0 0.57639 0.43750 0.50000 1.0000 + Co Co446 1.0 0.61806 0.47917 0.50000 1.0000 + Co Co447 1.0 0.65972 0.52083 0.50000 1.0000 + Co Co448 1.0 0.70139 0.56250 0.50000 1.0000 + Co Co449 1.0 0.74306 0.60417 0.50000 1.0000 + Co Co450 1.0 0.78472 0.64583 0.50000 1.0000 + Co Co451 1.0 0.82639 0.68750 0.50000 1.0000 + Co Co452 1.0 0.86806 0.72917 0.50000 1.0000 + Co Co453 1.0 0.90972 0.77083 0.50000 1.0000 + Co Co454 1.0 0.95139 0.81250 0.50000 1.0000 + Co Co455 1.0 0.99306 0.85417 0.50000 1.0000 + Co Co456 1.0 0.03472 0.89583 0.50000 1.0000 + Co Co457 1.0 0.61806 0.39583 0.50000 1.0000 + Co Co458 1.0 0.65972 0.43750 0.50000 1.0000 + Co Co459 1.0 0.70139 0.47917 0.50000 1.0000 + Co Co460 1.0 0.74306 0.52083 0.50000 1.0000 + Co Co461 1.0 0.78472 0.56250 0.50000 1.0000 + Co Co462 1.0 0.82639 0.60417 0.50000 1.0000 + Co Co463 1.0 0.86806 0.64583 0.50000 1.0000 + Co Co464 1.0 0.90972 0.68750 0.50000 1.0000 + Co Co465 1.0 0.95139 0.72917 0.50000 1.0000 + Co Co466 1.0 0.99306 0.77083 0.50000 1.0000 + Co Co467 1.0 0.03472 0.81250 0.50000 1.0000 + Co Co468 1.0 0.07639 0.85417 0.50000 1.0000 + Co Co469 1.0 0.65972 0.35417 0.50000 1.0000 + Co Co470 1.0 0.70139 0.39583 0.50000 1.0000 + Co Co471 1.0 0.74306 0.43750 0.50000 1.0000 + Co Co472 1.0 0.78472 0.47917 0.50000 1.0000 + Co Co473 1.0 0.82639 0.52083 0.50000 1.0000 + Co Co474 1.0 0.86806 0.56250 0.50000 1.0000 + Co Co475 1.0 0.90972 0.60417 0.50000 1.0000 + Co Co476 1.0 0.95139 0.64583 0.50000 1.0000 + Co Co477 1.0 0.99306 0.68750 0.50000 1.0000 + Co Co478 1.0 0.03472 0.72917 0.50000 1.0000 + Co Co479 1.0 0.07639 0.77083 0.50000 1.0000 + Co Co480 1.0 0.11806 0.81250 0.50000 1.0000 + Co Co481 1.0 0.70139 0.31250 0.50000 1.0000 + Co Co482 1.0 0.74306 0.35417 0.50000 1.0000 + Co Co483 1.0 0.78472 0.39583 0.50000 1.0000 + Co Co484 1.0 0.82639 0.43750 0.50000 1.0000 + Co Co485 1.0 0.86806 0.47917 0.50000 1.0000 + Co Co486 1.0 0.90972 0.52083 0.50000 1.0000 + Co Co487 1.0 0.95139 0.56250 0.50000 1.0000 + Co Co488 1.0 0.99306 0.60417 0.50000 1.0000 + Co Co489 1.0 0.03472 0.64583 0.50000 1.0000 + Co Co490 1.0 0.07639 0.68750 0.50000 1.0000 + Co Co491 1.0 0.11806 0.72917 0.50000 1.0000 + Co Co492 1.0 0.15972 0.77083 0.50000 1.0000 + Co Co493 1.0 0.74306 0.27083 0.50000 1.0000 + Co Co494 1.0 0.78472 0.31250 0.50000 1.0000 + Co Co495 1.0 0.82639 0.35417 0.50000 1.0000 + Co Co496 1.0 0.86806 0.39583 0.50000 1.0000 + Co Co497 1.0 0.90972 0.43750 0.50000 1.0000 + Co Co498 1.0 0.95139 0.47917 0.50000 1.0000 + Co Co499 1.0 0.99306 0.52083 0.50000 1.0000 + Co Co500 1.0 0.03472 0.56250 0.50000 1.0000 + Co Co501 1.0 0.07639 0.60417 0.50000 1.0000 + Co Co502 1.0 0.11806 0.64583 0.50000 1.0000 + Co Co503 1.0 0.15972 0.68750 0.50000 1.0000 + Co Co504 1.0 0.20139 0.72917 0.50000 1.0000 + Co Co505 1.0 0.78472 0.22917 0.50000 1.0000 + Co Co506 1.0 0.82639 0.27083 0.50000 1.0000 + Co Co507 1.0 0.86806 0.31250 0.50000 1.0000 + Co Co508 1.0 0.90972 0.35417 0.50000 1.0000 + Co Co509 1.0 0.95139 0.39583 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_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 0.03103 0.01562 0.50000 1.0000 + Te Te2 1.0 0.03103 0.07812 0.50000 1.0000 + Te Te3 1.0 0.03103 0.14062 0.50000 1.0000 + Te Te4 1.0 0.03103 0.20312 0.50000 1.0000 + Te Te5 1.0 0.03103 0.26562 0.50000 1.0000 + Te Te6 1.0 0.03103 0.32812 0.50000 1.0000 + Te Te7 1.0 0.03103 0.39062 0.50000 1.0000 + Te Te8 1.0 0.03103 0.45312 0.50000 1.0000 + Te Te9 1.0 0.03103 0.51562 0.50000 1.0000 + Te Te10 1.0 0.03103 0.57812 0.50000 1.0000 + Te Te11 1.0 0.03103 0.64062 0.50000 1.0000 + Te Te12 1.0 0.03103 0.70312 0.50000 1.0000 + Te Te13 1.0 0.03103 0.76562 0.50000 1.0000 + Te Te14 1.0 0.03103 0.82812 0.50000 1.0000 + Te Te15 1.0 0.03103 0.89062 0.50000 1.0000 + Te Te16 1.0 0.03103 0.95312 0.50000 1.0000 + Te Te17 1.0 0.09353 0.01562 0.50000 1.0000 + Te Te18 1.0 0.09353 0.07812 0.50000 1.0000 + Te Te19 1.0 0.09353 0.14062 0.50000 1.0000 + Te Te20 1.0 0.09353 0.20312 0.50000 1.0000 + Te Te21 1.0 0.09353 0.26562 0.50000 1.0000 + Te Te22 1.0 0.09353 0.32812 0.50000 1.0000 + Te Te23 1.0 0.09353 0.39062 0.50000 1.0000 + Te Te24 1.0 0.09353 0.45312 0.50000 1.0000 + Te Te25 1.0 0.09353 0.51562 0.50000 1.0000 + Te Te26 1.0 0.09353 0.57812 0.50000 1.0000 + Te Te27 1.0 0.09353 0.64062 0.50000 1.0000 + Te Te28 1.0 0.09353 0.70312 0.50000 1.0000 + Te Te29 1.0 0.09353 0.76562 0.50000 1.0000 + Te Te30 1.0 0.09353 0.82812 0.50000 1.0000 + Te Te31 1.0 0.09353 0.89062 0.50000 1.0000 + Te Te32 1.0 0.09353 0.95312 0.50000 1.0000 + Te Te33 1.0 0.15603 0.01562 0.50000 1.0000 + Te Te34 1.0 0.15603 0.07812 0.50000 1.0000 + Te Te35 1.0 0.15603 0.14062 0.50000 1.0000 + Te Te36 1.0 0.15603 0.20312 0.50000 1.0000 + Te Te37 1.0 0.15603 0.26562 0.50000 1.0000 + Te Te38 1.0 0.15603 0.32812 0.50000 1.0000 + Te Te39 1.0 0.15603 0.39062 0.50000 1.0000 + Te Te40 1.0 0.15603 0.45312 0.50000 1.0000 + Te Te41 1.0 0.15603 0.51562 0.50000 1.0000 + Te Te42 1.0 0.15603 0.57812 0.50000 1.0000 + Te Te43 1.0 0.15603 0.64062 0.50000 1.0000 + Te Te44 1.0 0.15603 0.70312 0.50000 1.0000 + Te Te45 1.0 0.15603 0.76562 0.50000 1.0000 + Te Te46 1.0 0.15603 0.82812 0.50000 1.0000 + Te Te47 1.0 0.15603 0.89062 0.50000 1.0000 + Te Te48 1.0 0.15603 0.95312 0.50000 1.0000 + Te Te49 1.0 0.21853 0.01562 0.50000 1.0000 + Te Te50 1.0 0.21853 0.07812 0.50000 1.0000 + Te Te51 1.0 0.21853 0.14062 0.50000 1.0000 + Te Te52 1.0 0.21853 0.20312 0.50000 1.0000 + Te Te53 1.0 0.21853 0.26562 0.50000 1.0000 + Te Te54 1.0 0.21853 0.32812 0.50000 1.0000 + Te Te55 1.0 0.21853 0.39062 0.50000 1.0000 + Te Te56 1.0 0.21853 0.45312 0.50000 1.0000 + Te Te57 1.0 0.21853 0.51562 0.50000 1.0000 + Te Te58 1.0 0.21853 0.57812 0.50000 1.0000 + Te Te59 1.0 0.21853 0.64062 0.50000 1.0000 + Te Te60 1.0 0.21853 0.70312 0.50000 1.0000 + Te Te61 1.0 0.21853 0.76562 0.50000 1.0000 + Te Te62 1.0 0.21853 0.82812 0.50000 1.0000 + Te Te63 1.0 0.21853 0.89062 0.50000 1.0000 + Te Te64 1.0 0.21853 0.95312 0.50000 1.0000 + Te Te65 1.0 0.28103 0.01562 0.50000 1.0000 + Te Te66 1.0 0.28103 0.07812 0.50000 1.0000 + Te Te67 1.0 0.28103 0.14062 0.50000 1.0000 + Te Te68 1.0 0.28103 0.20312 0.50000 1.0000 + Te Te69 1.0 0.28103 0.26562 0.50000 1.0000 + Te Te70 1.0 0.28103 0.32812 0.50000 1.0000 + Te Te71 1.0 0.28103 0.39062 0.50000 1.0000 + Te Te72 1.0 0.28103 0.45312 0.50000 1.0000 + Te Te73 1.0 0.28103 0.51562 0.50000 1.0000 + Te Te74 1.0 0.28103 0.57812 0.50000 1.0000 + Te Te75 1.0 0.28103 0.64062 0.50000 1.0000 + Te Te76 1.0 0.28103 0.70312 0.50000 1.0000 + Te Te77 1.0 0.28103 0.76562 0.50000 1.0000 + Te Te78 1.0 0.28103 0.82812 0.50000 1.0000 + Te Te79 1.0 0.28103 0.89062 0.50000 1.0000 + Te Te80 1.0 0.28103 0.95312 0.50000 1.0000 + Te Te81 1.0 0.34353 0.01562 0.50000 1.0000 + Te Te82 1.0 0.34353 0.07812 0.50000 1.0000 + Te Te83 1.0 0.34353 0.14062 0.50000 1.0000 + Te Te84 1.0 0.34353 0.20312 0.50000 1.0000 + Te Te85 1.0 0.34353 0.26562 0.50000 1.0000 + Te Te86 1.0 0.34353 0.32812 0.50000 1.0000 + Te Te87 1.0 0.34353 0.39062 0.50000 1.0000 + Te Te88 1.0 0.34353 0.45312 0.50000 1.0000 + Te Te89 1.0 0.34353 0.51562 0.50000 1.0000 + Te Te90 1.0 0.34353 0.57812 0.50000 1.0000 + Te Te91 1.0 0.34353 0.64062 0.50000 1.0000 + Te Te92 1.0 0.34353 0.70312 0.50000 1.0000 + Te Te93 1.0 0.34353 0.76562 0.50000 1.0000 + Te Te94 1.0 0.34353 0.82812 0.50000 1.0000 + Te Te95 1.0 0.34353 0.89062 0.50000 1.0000 + Te Te96 1.0 0.34353 0.95312 0.50000 1.0000 + Te Te97 1.0 0.40603 0.01562 0.50000 1.0000 + Te Te98 1.0 0.40603 0.07812 0.50000 1.0000 + Te Te99 1.0 0.40603 0.14062 0.50000 1.0000 + Te Te100 1.0 0.40603 0.20312 0.50000 1.0000 + Te Te101 1.0 0.40603 0.26562 0.50000 1.0000 + Te Te102 1.0 0.40603 0.32812 0.50000 1.0000 + Te Te103 1.0 0.40603 0.39062 0.50000 1.0000 + Te Te104 1.0 0.40603 0.45312 0.50000 1.0000 + Te Te105 1.0 0.40603 0.51562 0.50000 1.0000 + Te Te106 1.0 0.40603 0.57812 0.50000 1.0000 + Te Te107 1.0 0.40603 0.64062 0.50000 1.0000 + Te Te108 1.0 0.40603 0.70312 0.50000 1.0000 + Te Te109 1.0 0.40603 0.76562 0.50000 1.0000 + Te Te110 1.0 0.40603 0.82812 0.50000 1.0000 + Te Te111 1.0 0.40603 0.89062 0.50000 1.0000 + Te Te112 1.0 0.40603 0.95312 0.50000 1.0000 + Te Te113 1.0 0.46853 0.01562 0.50000 1.0000 + Te Te114 1.0 0.46853 0.07812 0.50000 1.0000 + Te Te115 1.0 0.46853 0.14062 0.50000 1.0000 + Te Te116 1.0 0.46853 0.20312 0.50000 1.0000 + Te Te117 1.0 0.46853 0.26562 0.50000 1.0000 + Te Te118 1.0 0.46853 0.32812 0.50000 1.0000 + Te Te119 1.0 0.46853 0.39062 0.50000 1.0000 + Te Te120 1.0 0.46853 0.45312 0.50000 1.0000 + Te Te121 1.0 0.46853 0.51562 0.50000 1.0000 + Te Te122 1.0 0.46853 0.57812 0.50000 1.0000 + Te Te123 1.0 0.46853 0.64062 0.50000 1.0000 + Te Te124 1.0 0.46853 0.70312 0.50000 1.0000 + Te Te125 1.0 0.46853 0.76562 0.50000 1.0000 + Te Te126 1.0 0.46853 0.82812 0.50000 1.0000 + Te Te127 1.0 0.46853 0.89062 0.50000 1.0000 + Te Te128 1.0 0.46853 0.95312 0.50000 1.0000 + Te Te129 1.0 0.53103 0.01562 0.50000 1.0000 + Te Te130 1.0 0.53103 0.07812 0.50000 1.0000 + Te Te131 1.0 0.53103 0.14062 0.50000 1.0000 + Te Te132 1.0 0.53103 0.20312 0.50000 1.0000 + Te Te133 1.0 0.53103 0.26562 0.50000 1.0000 + Te Te134 1.0 0.53103 0.32812 0.50000 1.0000 + Te Te135 1.0 0.53103 0.39062 0.50000 1.0000 + Te Te136 1.0 0.53103 0.45312 0.50000 1.0000 + Te Te137 1.0 0.53103 0.51562 0.50000 1.0000 + Te Te138 1.0 0.53103 0.57812 0.50000 1.0000 + Te Te139 1.0 0.53103 0.64062 0.50000 1.0000 + Te Te140 1.0 0.53103 0.70312 0.50000 1.0000 + Te Te141 1.0 0.53103 0.76562 0.50000 1.0000 + Te Te142 1.0 0.53103 0.82812 0.50000 1.0000 + Te Te143 1.0 0.53103 0.89062 0.50000 1.0000 + Te Te144 1.0 0.53103 0.95312 0.50000 1.0000 + Te Te145 1.0 0.59353 0.01562 0.50000 1.0000 + Te Te146 1.0 0.59353 0.07812 0.50000 1.0000 + Te Te147 1.0 0.59353 0.14062 0.50000 1.0000 + Te Te148 1.0 0.59353 0.20312 0.50000 1.0000 + Te Te149 1.0 0.59353 0.26562 0.50000 1.0000 + Te Te150 1.0 0.59353 0.32812 0.50000 1.0000 + Te Te151 1.0 0.59353 0.39062 0.50000 1.0000 + Te Te152 1.0 0.59353 0.45312 0.50000 1.0000 + Te Te153 1.0 0.59353 0.51562 0.50000 1.0000 + Te Te154 1.0 0.59353 0.57812 0.50000 1.0000 + Te Te155 1.0 0.59353 0.64062 0.50000 1.0000 + Te Te156 1.0 0.59353 0.70312 0.50000 1.0000 + Te Te157 1.0 0.59353 0.76562 0.50000 1.0000 + Te Te158 1.0 0.59353 0.82812 0.50000 1.0000 + Te Te159 1.0 0.59353 0.89062 0.50000 1.0000 + Te Te160 1.0 0.59353 0.95312 0.50000 1.0000 + Te Te161 1.0 0.65603 0.01562 0.50000 1.0000 + Te Te162 1.0 0.65603 0.07812 0.50000 1.0000 + Te Te163 1.0 0.65603 0.14062 0.50000 1.0000 + Te Te164 1.0 0.65603 0.20312 0.50000 1.0000 + Te Te165 1.0 0.65603 0.26562 0.50000 1.0000 + Te Te166 1.0 0.65603 0.32812 0.50000 1.0000 + Te Te167 1.0 0.65603 0.39062 0.50000 1.0000 + Te Te168 1.0 0.65603 0.45312 0.50000 1.0000 + Te Te169 1.0 0.65603 0.51562 0.50000 1.0000 + Te Te170 1.0 0.65603 0.57812 0.50000 1.0000 + Te Te171 1.0 0.65603 0.64062 0.50000 1.0000 + Te Te172 1.0 0.65603 0.70312 0.50000 1.0000 + Te Te173 1.0 0.65603 0.76562 0.50000 1.0000 + Te Te174 1.0 0.65603 0.82812 0.50000 1.0000 + Te Te175 1.0 0.65603 0.89062 0.50000 1.0000 + Te Te176 1.0 0.65603 0.95312 0.50000 1.0000 + Te Te177 1.0 0.71853 0.01562 0.50000 1.0000 + Te Te178 1.0 0.71853 0.07812 0.50000 1.0000 + Te Te179 1.0 0.71853 0.14062 0.50000 1.0000 + Te Te180 1.0 0.71853 0.20312 0.50000 1.0000 + Te Te181 1.0 0.71853 0.26562 0.50000 1.0000 + Te Te182 1.0 0.71853 0.32812 0.50000 1.0000 + Te Te183 1.0 0.71853 0.39062 0.50000 1.0000 + Te Te184 1.0 0.71853 0.45312 0.50000 1.0000 + Te Te185 1.0 0.71853 0.51562 0.50000 1.0000 + Te Te186 1.0 0.71853 0.57812 0.50000 1.0000 + Te Te187 1.0 0.71853 0.64062 0.50000 1.0000 + Te Te188 1.0 0.71853 0.70312 0.50000 1.0000 + Te Te189 1.0 0.71853 0.76562 0.50000 1.0000 + Te Te190 1.0 0.71853 0.82812 0.50000 1.0000 + Te Te191 1.0 0.71853 0.89062 0.50000 1.0000 + Te Te192 1.0 0.71853 0.95312 0.50000 1.0000 + Te Te193 1.0 0.78103 0.01562 0.50000 1.0000 + Te Te194 1.0 0.78103 0.07812 0.50000 1.0000 + Te Te195 1.0 0.78103 0.14062 0.50000 1.0000 + Te Te196 1.0 0.78103 0.20312 0.50000 1.0000 + Te Te197 1.0 0.78103 0.26562 0.50000 1.0000 + Te Te198 1.0 0.78103 0.32812 0.50000 1.0000 + Te Te199 1.0 0.78103 0.39062 0.50000 1.0000 + Te Te200 1.0 0.78103 0.45312 0.50000 1.0000 + Te Te201 1.0 0.78103 0.51562 0.50000 1.0000 + Te Te202 1.0 0.78103 0.57812 0.50000 1.0000 + Te Te203 1.0 0.78103 0.64062 0.50000 1.0000 + Te Te204 1.0 0.78103 0.70312 0.50000 1.0000 + Te Te205 1.0 0.78103 0.76562 0.50000 1.0000 + Te Te206 1.0 0.78103 0.82812 0.50000 1.0000 + Te Te207 1.0 0.78103 0.89062 0.50000 1.0000 + Te Te208 1.0 0.78103 0.95312 0.50000 1.0000 + Te Te209 1.0 0.84353 0.01562 0.50000 1.0000 + Te Te210 1.0 0.84353 0.07812 0.50000 1.0000 + Te Te211 1.0 0.84353 0.14062 0.50000 1.0000 + Te Te212 1.0 0.84353 0.20312 0.50000 1.0000 + Te Te213 1.0 0.84353 0.26562 0.50000 1.0000 + Te Te214 1.0 0.84353 0.32812 0.50000 1.0000 + Te Te215 1.0 0.84353 0.39062 0.50000 1.0000 + Te Te216 1.0 0.84353 0.45312 0.50000 1.0000 + Te Te217 1.0 0.84353 0.51562 0.50000 1.0000 + Te Te218 1.0 0.84353 0.57812 0.50000 1.0000 + Te Te219 1.0 0.84353 0.64062 0.50000 1.0000 + Te Te220 1.0 0.84353 0.70312 0.50000 1.0000 + Te Te221 1.0 0.84353 0.76562 0.50000 1.0000 + Te Te222 1.0 0.84353 0.82812 0.50000 1.0000 + Te Te223 1.0 0.84353 0.89062 0.50000 1.0000 + Te Te224 1.0 0.84353 0.95312 0.50000 1.0000 + Te Te225 1.0 0.90603 0.01562 0.50000 1.0000 + Te Te226 1.0 0.90603 0.07812 0.50000 1.0000 + Te Te227 1.0 0.90603 0.14062 0.50000 1.0000 + Te Te228 1.0 0.90603 0.20312 0.50000 1.0000 + Te Te229 1.0 0.90603 0.26562 0.50000 1.0000 + Te Te230 1.0 0.90603 0.32812 0.50000 1.0000 + Te Te231 1.0 0.90603 0.39062 0.50000 1.0000 + Te Te232 1.0 0.90603 0.45312 0.50000 1.0000 + Te Te233 1.0 0.90603 0.51562 0.50000 1.0000 + Te Te234 1.0 0.90603 0.57812 0.50000 1.0000 + Te Te235 1.0 0.90603 0.64062 0.50000 1.0000 + Te Te236 1.0 0.90603 0.70312 0.50000 1.0000 + Te Te237 1.0 0.90603 0.76562 0.50000 1.0000 + Te Te238 1.0 0.90603 0.82812 0.50000 1.0000 + Te Te239 1.0 0.90603 0.89062 0.50000 1.0000 + Te Te240 1.0 0.90603 0.95312 0.50000 1.0000 + Te Te241 1.0 0.96853 0.01562 0.50000 1.0000 + Te Te242 1.0 0.96853 0.07812 0.50000 1.0000 + Te Te243 1.0 0.96853 0.14062 0.50000 1.0000 + Te Te244 1.0 0.96853 0.20312 0.50000 1.0000 + Te Te245 1.0 0.96853 0.26562 0.50000 1.0000 + Te Te246 1.0 0.96853 0.32812 0.50000 1.0000 + Te Te247 1.0 0.96853 0.39062 0.50000 1.0000 + Te Te248 1.0 0.96853 0.45312 0.50000 1.0000 + Te Te249 1.0 0.96853 0.51562 0.50000 1.0000 + Te Te250 1.0 0.96853 0.57812 0.50000 1.0000 + Te Te251 1.0 0.96853 0.64062 0.50000 1.0000 + Te Te252 1.0 0.96853 0.70312 0.50000 1.0000 + Te Te253 1.0 0.96853 0.76562 0.50000 1.0000 + Te Te254 1.0 0.96853 0.82812 0.50000 1.0000 + Te Te255 1.0 0.96853 0.89062 0.50000 1.0000 + Te Te256 1.0 0.96853 0.95312 0.50000 1.0000 + Te Te257 1.0 0.03147 0.04687 0.50000 1.0000 + Te Te258 1.0 0.03147 0.10937 0.50000 1.0000 + Te Te259 1.0 0.03147 0.17187 0.50000 1.0000 + Te Te260 1.0 0.03147 0.23437 0.50000 1.0000 + Te Te261 1.0 0.03147 0.29687 0.50000 1.0000 + Te Te262 1.0 0.03147 0.35937 0.50000 1.0000 + Te Te263 1.0 0.03147 0.42187 0.50000 1.0000 + Te Te264 1.0 0.03147 0.48437 0.50000 1.0000 + Te Te265 1.0 0.03147 0.54687 0.50000 1.0000 + Te Te266 1.0 0.03147 0.60937 0.50000 1.0000 + Te Te267 1.0 0.03147 0.67187 0.50000 1.0000 + Te Te268 1.0 0.03147 0.73437 0.50000 1.0000 + Te Te269 1.0 0.03147 0.79687 0.50000 1.0000 + Te Te270 1.0 0.03147 0.85937 0.50000 1.0000 + Te Te271 1.0 0.03147 0.92187 0.50000 1.0000 + Te Te272 1.0 0.03147 0.98437 0.50000 1.0000 + Te Te273 1.0 0.09397 0.04687 0.50000 1.0000 + Te Te274 1.0 0.09397 0.10937 0.50000 1.0000 + Te Te275 1.0 0.09397 0.17187 0.50000 1.0000 + Te Te276 1.0 0.09397 0.23437 0.50000 1.0000 + Te Te277 1.0 0.09397 0.29687 0.50000 1.0000 + Te Te278 1.0 0.09397 0.35937 0.50000 1.0000 + Te Te279 1.0 0.09397 0.42187 0.50000 1.0000 + Te Te280 1.0 0.09397 0.48437 0.50000 1.0000 + Te Te281 1.0 0.09397 0.54687 0.50000 1.0000 + Te Te282 1.0 0.09397 0.60937 0.50000 1.0000 + Te Te283 1.0 0.09397 0.67187 0.50000 1.0000 + Te Te284 1.0 0.09397 0.73437 0.50000 1.0000 + Te Te285 1.0 0.09397 0.79687 0.50000 1.0000 + Te Te286 1.0 0.09397 0.85937 0.50000 1.0000 + Te Te287 1.0 0.09397 0.92187 0.50000 1.0000 + Te Te288 1.0 0.09397 0.98437 0.50000 1.0000 + Te Te289 1.0 0.15647 0.04687 0.50000 1.0000 + Te Te290 1.0 0.15647 0.10937 0.50000 1.0000 + Te Te291 1.0 0.15647 0.17187 0.50000 1.0000 + Te Te292 1.0 0.15647 0.23437 0.50000 1.0000 + Te Te293 1.0 0.15647 0.29687 0.50000 1.0000 + Te Te294 1.0 0.15647 0.35937 0.50000 1.0000 + Te Te295 1.0 0.15647 0.42187 0.50000 1.0000 + Te Te296 1.0 0.15647 0.48437 0.50000 1.0000 + Te Te297 1.0 0.15647 0.54687 0.50000 1.0000 + Te Te298 1.0 0.15647 0.60937 0.50000 1.0000 + Te Te299 1.0 0.15647 0.67187 0.50000 1.0000 + Te Te300 1.0 0.15647 0.73437 0.50000 1.0000 + Te Te301 1.0 0.15647 0.79687 0.50000 1.0000 + Te Te302 1.0 0.15647 0.85937 0.50000 1.0000 + Te Te303 1.0 0.15647 0.92187 0.50000 1.0000 + 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0.68024 0.73991 0.29940 1.0000 + O O1690 1.0 0.68024 0.82324 0.29940 1.0000 + O O1691 1.0 0.68024 0.90658 0.29940 1.0000 + O O1692 1.0 0.68024 0.98991 0.29940 1.0000 + O O1693 1.0 0.76358 0.07324 0.29940 1.0000 + O O1694 1.0 0.76358 0.15658 0.29940 1.0000 + O O1695 1.0 0.76358 0.23991 0.29940 1.0000 + O O1696 1.0 0.76358 0.32324 0.29940 1.0000 + O O1697 1.0 0.76358 0.40658 0.29940 1.0000 + O O1698 1.0 0.76358 0.48991 0.29940 1.0000 + O O1699 1.0 0.76358 0.57324 0.29940 1.0000 + O O1700 1.0 0.76358 0.65658 0.29940 1.0000 + O O1701 1.0 0.76358 0.73991 0.29940 1.0000 + O O1702 1.0 0.76358 0.82324 0.29940 1.0000 + O O1703 1.0 0.76358 0.90658 0.29940 1.0000 + O O1704 1.0 0.76358 0.98991 0.29940 1.0000 + O O1705 1.0 0.84691 0.07324 0.29940 1.0000 + O O1706 1.0 0.84691 0.15658 0.29940 1.0000 + O O1707 1.0 0.84691 0.23991 0.29940 1.0000 + O O1708 1.0 0.84691 0.32324 0.29940 1.0000 + O O1709 1.0 0.84691 0.40658 0.29940 1.0000 + O O1710 1.0 0.84691 0.48991 0.29940 1.0000 + O O1711 1.0 0.84691 0.57324 0.29940 1.0000 + O O1712 1.0 0.84691 0.65658 0.29940 1.0000 + O O1713 1.0 0.84691 0.73991 0.29940 1.0000 + O O1714 1.0 0.84691 0.82324 0.29940 1.0000 + O O1715 1.0 0.84691 0.90658 0.29940 1.0000 + O O1716 1.0 0.84691 0.98991 0.29940 1.0000 + O O1717 1.0 0.93024 0.07324 0.29940 1.0000 + O O1718 1.0 0.93024 0.15658 0.29940 1.0000 + O O1719 1.0 0.93024 0.23991 0.29940 1.0000 + O O1720 1.0 0.93024 0.32324 0.29940 1.0000 + O O1721 1.0 0.93024 0.40658 0.29940 1.0000 + O O1722 1.0 0.93024 0.48991 0.29940 1.0000 + O O1723 1.0 0.93024 0.57324 0.29940 1.0000 + O O1724 1.0 0.93024 0.65658 0.29940 1.0000 + O O1725 1.0 0.93024 0.73991 0.29940 1.0000 + O O1726 1.0 0.93024 0.82324 0.29940 1.0000 + O O1727 1.0 0.93024 0.90658 0.29940 1.0000 + O O1728 1.0 0.93024 0.98991 0.29940 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5338_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5338_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..0e65b2640a9eaedbc6677e5d63dd57f55b82e5ba --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5338_supercell_12x12x1.cif @@ -0,0 +1,1897 @@ +data_image0 +_chemical_formula_structural Zn288Fe432O1152 +_chemical_formula_sum "Zn288 Fe432 O1152" +_cell_length_a 60.6912 +_cell_length_b 72.5167 +_cell_length_c 6.90786 +_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 0.02148 0.00000 0.71047 1.0000 + Zn Zn2 1.0 0.02148 0.08333 0.71047 1.0000 + Zn Zn3 1.0 0.02148 0.16667 0.71047 1.0000 + Zn Zn4 1.0 0.02148 0.25000 0.71047 1.0000 + Zn Zn5 1.0 0.02148 0.33333 0.71047 1.0000 + Zn Zn6 1.0 0.02148 0.41667 0.71047 1.0000 + Zn Zn7 1.0 0.02148 0.50000 0.71047 1.0000 + Zn Zn8 1.0 0.02148 0.58333 0.71047 1.0000 + Zn Zn9 1.0 0.02148 0.66667 0.71047 1.0000 + Zn Zn10 1.0 0.02148 0.75000 0.71047 1.0000 + Zn Zn11 1.0 0.02148 0.83333 0.71047 1.0000 + Zn Zn12 1.0 0.02148 0.91667 0.71047 1.0000 + Zn Zn13 1.0 0.10481 0.00000 0.71047 1.0000 + Zn Zn14 1.0 0.10481 0.08333 0.71047 1.0000 + Zn Zn15 1.0 0.10481 0.16667 0.71047 1.0000 + Zn Zn16 1.0 0.10481 0.25000 0.71047 1.0000 + Zn Zn17 1.0 0.10481 0.33333 0.71047 1.0000 + Zn Zn18 1.0 0.10481 0.41667 0.71047 1.0000 + Zn Zn19 1.0 0.10481 0.50000 0.71047 1.0000 + Zn Zn20 1.0 0.10481 0.58333 0.71047 1.0000 + Zn Zn21 1.0 0.10481 0.66667 0.71047 1.0000 + Zn Zn22 1.0 0.10481 0.75000 0.71047 1.0000 + Zn Zn23 1.0 0.10481 0.83333 0.71047 1.0000 + Zn Zn24 1.0 0.10481 0.91667 0.71047 1.0000 + Zn Zn25 1.0 0.18815 0.00000 0.71047 1.0000 + Zn Zn26 1.0 0.18815 0.08333 0.71047 1.0000 + Zn Zn27 1.0 0.18815 0.16667 0.71047 1.0000 + Zn Zn28 1.0 0.18815 0.25000 0.71047 1.0000 + Zn Zn29 1.0 0.18815 0.33333 0.71047 1.0000 + Zn Zn30 1.0 0.18815 0.41667 0.71047 1.0000 + Zn Zn31 1.0 0.18815 0.50000 0.71047 1.0000 + Zn Zn32 1.0 0.18815 0.58333 0.71047 1.0000 + Zn Zn33 1.0 0.18815 0.66667 0.71047 1.0000 + Zn Zn34 1.0 0.18815 0.75000 0.71047 1.0000 + Zn Zn35 1.0 0.18815 0.83333 0.71047 1.0000 + Zn Zn36 1.0 0.18815 0.91667 0.71047 1.0000 + Zn Zn37 1.0 0.27148 0.00000 0.71047 1.0000 + Zn Zn38 1.0 0.27148 0.08333 0.71047 1.0000 + Zn Zn39 1.0 0.27148 0.16667 0.71047 1.0000 + Zn Zn40 1.0 0.27148 0.25000 0.71047 1.0000 + Zn Zn41 1.0 0.27148 0.33333 0.71047 1.0000 + Zn Zn42 1.0 0.27148 0.41667 0.71047 1.0000 + Zn Zn43 1.0 0.27148 0.50000 0.71047 1.0000 + Zn Zn44 1.0 0.27148 0.58333 0.71047 1.0000 + Zn Zn45 1.0 0.27148 0.66667 0.71047 1.0000 + Zn Zn46 1.0 0.27148 0.75000 0.71047 1.0000 + Zn Zn47 1.0 0.27148 0.83333 0.71047 1.0000 + Zn Zn48 1.0 0.27148 0.91667 0.71047 1.0000 + Zn Zn49 1.0 0.35481 0.00000 0.71047 1.0000 + Zn Zn50 1.0 0.35481 0.08333 0.71047 1.0000 + Zn Zn51 1.0 0.35481 0.16667 0.71047 1.0000 + Zn Zn52 1.0 0.35481 0.25000 0.71047 1.0000 + Zn Zn53 1.0 0.35481 0.33333 0.71047 1.0000 + Zn Zn54 1.0 0.35481 0.41667 0.71047 1.0000 + Zn Zn55 1.0 0.35481 0.50000 0.71047 1.0000 + Zn Zn56 1.0 0.35481 0.58333 0.71047 1.0000 + Zn Zn57 1.0 0.35481 0.66667 0.71047 1.0000 + Zn Zn58 1.0 0.35481 0.75000 0.71047 1.0000 + Zn Zn59 1.0 0.35481 0.83333 0.71047 1.0000 + Zn Zn60 1.0 0.35481 0.91667 0.71047 1.0000 + Zn Zn61 1.0 0.43815 0.00000 0.71047 1.0000 + Zn Zn62 1.0 0.43815 0.08333 0.71047 1.0000 + Zn Zn63 1.0 0.43815 0.16667 0.71047 1.0000 + Zn Zn64 1.0 0.43815 0.25000 0.71047 1.0000 + Zn Zn65 1.0 0.43815 0.33333 0.71047 1.0000 + Zn Zn66 1.0 0.43815 0.41667 0.71047 1.0000 + Zn Zn67 1.0 0.43815 0.50000 0.71047 1.0000 + Zn Zn68 1.0 0.43815 0.58333 0.71047 1.0000 + Zn Zn69 1.0 0.43815 0.66667 0.71047 1.0000 + Zn Zn70 1.0 0.43815 0.75000 0.71047 1.0000 + Zn Zn71 1.0 0.43815 0.83333 0.71047 1.0000 + Zn Zn72 1.0 0.43815 0.91667 0.71047 1.0000 + Zn Zn73 1.0 0.52148 0.00000 0.71047 1.0000 + Zn Zn74 1.0 0.52148 0.08333 0.71047 1.0000 + Zn Zn75 1.0 0.52148 0.16667 0.71047 1.0000 + Zn Zn76 1.0 0.52148 0.25000 0.71047 1.0000 + Zn Zn77 1.0 0.52148 0.33333 0.71047 1.0000 + Zn Zn78 1.0 0.52148 0.41667 0.71047 1.0000 + Zn Zn79 1.0 0.52148 0.50000 0.71047 1.0000 + Zn Zn80 1.0 0.52148 0.58333 0.71047 1.0000 + Zn Zn81 1.0 0.52148 0.66667 0.71047 1.0000 + Zn Zn82 1.0 0.52148 0.75000 0.71047 1.0000 + Zn Zn83 1.0 0.52148 0.83333 0.71047 1.0000 + Zn Zn84 1.0 0.52148 0.91667 0.71047 1.0000 + Zn Zn85 1.0 0.60481 0.00000 0.71047 1.0000 + Zn Zn86 1.0 0.60481 0.08333 0.71047 1.0000 + Zn Zn87 1.0 0.60481 0.16667 0.71047 1.0000 + Zn Zn88 1.0 0.60481 0.25000 0.71047 1.0000 + Zn Zn89 1.0 0.60481 0.33333 0.71047 1.0000 + Zn Zn90 1.0 0.60481 0.41667 0.71047 1.0000 + Zn Zn91 1.0 0.60481 0.50000 0.71047 1.0000 + Zn Zn92 1.0 0.60481 0.58333 0.71047 1.0000 + Zn Zn93 1.0 0.60481 0.66667 0.71047 1.0000 + Zn Zn94 1.0 0.60481 0.75000 0.71047 1.0000 + Zn Zn95 1.0 0.60481 0.83333 0.71047 1.0000 + Zn Zn96 1.0 0.60481 0.91667 0.71047 1.0000 + Zn Zn97 1.0 0.68815 0.00000 0.71047 1.0000 + Zn Zn98 1.0 0.68815 0.08333 0.71047 1.0000 + Zn Zn99 1.0 0.68815 0.16667 0.71047 1.0000 + Zn Zn100 1.0 0.68815 0.25000 0.71047 1.0000 + Zn Zn101 1.0 0.68815 0.33333 0.71047 1.0000 + Zn Zn102 1.0 0.68815 0.41667 0.71047 1.0000 + Zn Zn103 1.0 0.68815 0.50000 0.71047 1.0000 + Zn Zn104 1.0 0.68815 0.58333 0.71047 1.0000 + Zn Zn105 1.0 0.68815 0.66667 0.71047 1.0000 + Zn Zn106 1.0 0.68815 0.75000 0.71047 1.0000 + Zn Zn107 1.0 0.68815 0.83333 0.71047 1.0000 + Zn Zn108 1.0 0.68815 0.91667 0.71047 1.0000 + Zn Zn109 1.0 0.77148 0.00000 0.71047 1.0000 + Zn Zn110 1.0 0.77148 0.08333 0.71047 1.0000 + Zn Zn111 1.0 0.77148 0.16667 0.71047 1.0000 + Zn Zn112 1.0 0.77148 0.25000 0.71047 1.0000 + Zn Zn113 1.0 0.77148 0.33333 0.71047 1.0000 + Zn Zn114 1.0 0.77148 0.41667 0.71047 1.0000 + Zn Zn115 1.0 0.77148 0.50000 0.71047 1.0000 + Zn Zn116 1.0 0.77148 0.58333 0.71047 1.0000 + Zn Zn117 1.0 0.77148 0.66667 0.71047 1.0000 + Zn Zn118 1.0 0.77148 0.75000 0.71047 1.0000 + Zn Zn119 1.0 0.77148 0.83333 0.71047 1.0000 + Zn Zn120 1.0 0.77148 0.91667 0.71047 1.0000 + Zn Zn121 1.0 0.85481 0.00000 0.71047 1.0000 + Zn Zn122 1.0 0.85481 0.08333 0.71047 1.0000 + Zn Zn123 1.0 0.85481 0.16667 0.71047 1.0000 + Zn Zn124 1.0 0.85481 0.25000 0.71047 1.0000 + Zn Zn125 1.0 0.85481 0.33333 0.71047 1.0000 + Zn Zn126 1.0 0.85481 0.41667 0.71047 1.0000 + Zn Zn127 1.0 0.85481 0.50000 0.71047 1.0000 + Zn Zn128 1.0 0.85481 0.58333 0.71047 1.0000 + Zn Zn129 1.0 0.85481 0.66667 0.71047 1.0000 + Zn Zn130 1.0 0.85481 0.75000 0.71047 1.0000 + Zn Zn131 1.0 0.85481 0.83333 0.71047 1.0000 + Zn Zn132 1.0 0.85481 0.91667 0.71047 1.0000 + Zn Zn133 1.0 0.93815 0.00000 0.71047 1.0000 + Zn Zn134 1.0 0.93815 0.08333 0.71047 1.0000 + Zn Zn135 1.0 0.93815 0.16667 0.71047 1.0000 + Zn Zn136 1.0 0.93815 0.25000 0.71047 1.0000 + Zn Zn137 1.0 0.93815 0.33333 0.71047 1.0000 + Zn Zn138 1.0 0.93815 0.41667 0.71047 1.0000 + Zn Zn139 1.0 0.93815 0.50000 0.71047 1.0000 + Zn Zn140 1.0 0.93815 0.58333 0.71047 1.0000 + Zn Zn141 1.0 0.93815 0.66667 0.71047 1.0000 + Zn Zn142 1.0 0.93815 0.75000 0.71047 1.0000 + Zn Zn143 1.0 0.93815 0.83333 0.71047 1.0000 + Zn Zn144 1.0 0.93815 0.91667 0.71047 1.0000 + Zn Zn145 1.0 0.02250 0.00000 0.28953 1.0000 + Zn Zn146 1.0 0.02250 0.08333 0.28953 1.0000 + Zn Zn147 1.0 0.02250 0.16667 0.28953 1.0000 + Zn Zn148 1.0 0.02250 0.25000 0.28953 1.0000 + Zn Zn149 1.0 0.02250 0.33333 0.28953 1.0000 + Zn Zn150 1.0 0.02250 0.41667 0.28953 1.0000 + Zn Zn151 1.0 0.02250 0.50000 0.28953 1.0000 + Zn Zn152 1.0 0.02250 0.58333 0.28953 1.0000 + Zn Zn153 1.0 0.02250 0.66667 0.28953 1.0000 + Zn Zn154 1.0 0.02250 0.75000 0.28953 1.0000 + Zn Zn155 1.0 0.02250 0.83333 0.28953 1.0000 + Zn Zn156 1.0 0.02250 0.91667 0.28953 1.0000 + Zn Zn157 1.0 0.10584 0.00000 0.28953 1.0000 + Zn Zn158 1.0 0.10584 0.08333 0.28953 1.0000 + Zn Zn159 1.0 0.10584 0.16667 0.28953 1.0000 + Zn Zn160 1.0 0.10584 0.25000 0.28953 1.0000 + Zn Zn161 1.0 0.10584 0.33333 0.28953 1.0000 + Zn Zn162 1.0 0.10584 0.41667 0.28953 1.0000 + Zn Zn163 1.0 0.10584 0.50000 0.28953 1.0000 + Zn Zn164 1.0 0.10584 0.58333 0.28953 1.0000 + Zn Zn165 1.0 0.10584 0.66667 0.28953 1.0000 + Zn Zn166 1.0 0.10584 0.75000 0.28953 1.0000 + Zn Zn167 1.0 0.10584 0.83333 0.28953 1.0000 + Zn Zn168 1.0 0.10584 0.91667 0.28953 1.0000 + Zn Zn169 1.0 0.18917 0.00000 0.28953 1.0000 + Zn Zn170 1.0 0.18917 0.08333 0.28953 1.0000 + Zn Zn171 1.0 0.18917 0.16667 0.28953 1.0000 + Zn Zn172 1.0 0.18917 0.25000 0.28953 1.0000 + Zn Zn173 1.0 0.18917 0.33333 0.28953 1.0000 + Zn Zn174 1.0 0.18917 0.41667 0.28953 1.0000 + Zn Zn175 1.0 0.18917 0.50000 0.28953 1.0000 + Zn Zn176 1.0 0.18917 0.58333 0.28953 1.0000 + Zn Zn177 1.0 0.18917 0.66667 0.28953 1.0000 + Zn Zn178 1.0 0.18917 0.75000 0.28953 1.0000 + Zn Zn179 1.0 0.18917 0.83333 0.28953 1.0000 + Zn Zn180 1.0 0.18917 0.91667 0.28953 1.0000 + Zn Zn181 1.0 0.27250 0.00000 0.28953 1.0000 + Zn Zn182 1.0 0.27250 0.08333 0.28953 1.0000 + Zn Zn183 1.0 0.27250 0.16667 0.28953 1.0000 + Zn Zn184 1.0 0.27250 0.25000 0.28953 1.0000 + Zn Zn185 1.0 0.27250 0.33333 0.28953 1.0000 + Zn Zn186 1.0 0.27250 0.41667 0.28953 1.0000 + Zn Zn187 1.0 0.27250 0.50000 0.28953 1.0000 + Zn Zn188 1.0 0.27250 0.58333 0.28953 1.0000 + Zn Zn189 1.0 0.27250 0.66667 0.28953 1.0000 + Zn Zn190 1.0 0.27250 0.75000 0.28953 1.0000 + Zn Zn191 1.0 0.27250 0.83333 0.28953 1.0000 + Zn Zn192 1.0 0.27250 0.91667 0.28953 1.0000 + Zn Zn193 1.0 0.35584 0.00000 0.28953 1.0000 + Zn Zn194 1.0 0.35584 0.08333 0.28953 1.0000 + Zn Zn195 1.0 0.35584 0.16667 0.28953 1.0000 + Zn Zn196 1.0 0.35584 0.25000 0.28953 1.0000 + Zn Zn197 1.0 0.35584 0.33333 0.28953 1.0000 + Zn Zn198 1.0 0.35584 0.41667 0.28953 1.0000 + Zn Zn199 1.0 0.35584 0.50000 0.28953 1.0000 + Zn Zn200 1.0 0.35584 0.58333 0.28953 1.0000 + Zn Zn201 1.0 0.35584 0.66667 0.28953 1.0000 + Zn Zn202 1.0 0.35584 0.75000 0.28953 1.0000 + Zn Zn203 1.0 0.35584 0.83333 0.28953 1.0000 + Zn Zn204 1.0 0.35584 0.91667 0.28953 1.0000 + Zn Zn205 1.0 0.43917 0.00000 0.28953 1.0000 + Zn Zn206 1.0 0.43917 0.08333 0.28953 1.0000 + Zn Zn207 1.0 0.43917 0.16667 0.28953 1.0000 + Zn Zn208 1.0 0.43917 0.25000 0.28953 1.0000 + Zn Zn209 1.0 0.43917 0.33333 0.28953 1.0000 + Zn Zn210 1.0 0.43917 0.41667 0.28953 1.0000 + Zn Zn211 1.0 0.43917 0.50000 0.28953 1.0000 + Zn Zn212 1.0 0.43917 0.58333 0.28953 1.0000 + Zn Zn213 1.0 0.43917 0.66667 0.28953 1.0000 + Zn Zn214 1.0 0.43917 0.75000 0.28953 1.0000 + Zn Zn215 1.0 0.43917 0.83333 0.28953 1.0000 + Zn Zn216 1.0 0.43917 0.91667 0.28953 1.0000 + Zn Zn217 1.0 0.52250 0.00000 0.28953 1.0000 + Zn Zn218 1.0 0.52250 0.08333 0.28953 1.0000 + Zn Zn219 1.0 0.52250 0.16667 0.28953 1.0000 + Zn Zn220 1.0 0.52250 0.25000 0.28953 1.0000 + Zn Zn221 1.0 0.52250 0.33333 0.28953 1.0000 + Zn Zn222 1.0 0.52250 0.41667 0.28953 1.0000 + Zn Zn223 1.0 0.52250 0.50000 0.28953 1.0000 + Zn Zn224 1.0 0.52250 0.58333 0.28953 1.0000 + Zn Zn225 1.0 0.52250 0.66667 0.28953 1.0000 + Zn Zn226 1.0 0.52250 0.75000 0.28953 1.0000 + Zn Zn227 1.0 0.52250 0.83333 0.28953 1.0000 + Zn Zn228 1.0 0.52250 0.91667 0.28953 1.0000 + Zn Zn229 1.0 0.60584 0.00000 0.28953 1.0000 + Zn Zn230 1.0 0.60584 0.08333 0.28953 1.0000 + Zn Zn231 1.0 0.60584 0.16667 0.28953 1.0000 + Zn Zn232 1.0 0.60584 0.25000 0.28953 1.0000 + Zn Zn233 1.0 0.60584 0.33333 0.28953 1.0000 + Zn Zn234 1.0 0.60584 0.41667 0.28953 1.0000 + Zn Zn235 1.0 0.60584 0.50000 0.28953 1.0000 + Zn Zn236 1.0 0.60584 0.58333 0.28953 1.0000 + Zn Zn237 1.0 0.60584 0.66667 0.28953 1.0000 + Zn Zn238 1.0 0.60584 0.75000 0.28953 1.0000 + Zn Zn239 1.0 0.60584 0.83333 0.28953 1.0000 + Zn Zn240 1.0 0.60584 0.91667 0.28953 1.0000 + Zn Zn241 1.0 0.68917 0.00000 0.28953 1.0000 + Zn Zn242 1.0 0.68917 0.08333 0.28953 1.0000 + Zn Zn243 1.0 0.68917 0.16667 0.28953 1.0000 + Zn Zn244 1.0 0.68917 0.25000 0.28953 1.0000 + Zn Zn245 1.0 0.68917 0.33333 0.28953 1.0000 + Zn Zn246 1.0 0.68917 0.41667 0.28953 1.0000 + Zn Zn247 1.0 0.68917 0.50000 0.28953 1.0000 + Zn Zn248 1.0 0.68917 0.58333 0.28953 1.0000 + Zn Zn249 1.0 0.68917 0.66667 0.28953 1.0000 + Zn Zn250 1.0 0.68917 0.75000 0.28953 1.0000 + Zn Zn251 1.0 0.68917 0.83333 0.28953 1.0000 + Zn Zn252 1.0 0.68917 0.91667 0.28953 1.0000 + Zn Zn253 1.0 0.77250 0.00000 0.28953 1.0000 + Zn Zn254 1.0 0.77250 0.08333 0.28953 1.0000 + Zn Zn255 1.0 0.77250 0.16667 0.28953 1.0000 + Zn Zn256 1.0 0.77250 0.25000 0.28953 1.0000 + Zn Zn257 1.0 0.77250 0.33333 0.28953 1.0000 + Zn Zn258 1.0 0.77250 0.41667 0.28953 1.0000 + Zn Zn259 1.0 0.77250 0.50000 0.28953 1.0000 + Zn Zn260 1.0 0.77250 0.58333 0.28953 1.0000 + Zn Zn261 1.0 0.77250 0.66667 0.28953 1.0000 + Zn Zn262 1.0 0.77250 0.75000 0.28953 1.0000 + Zn Zn263 1.0 0.77250 0.83333 0.28953 1.0000 + Zn Zn264 1.0 0.77250 0.91667 0.28953 1.0000 + Zn Zn265 1.0 0.85584 0.00000 0.28953 1.0000 + Zn Zn266 1.0 0.85584 0.08333 0.28953 1.0000 + Zn Zn267 1.0 0.85584 0.16667 0.28953 1.0000 + Zn Zn268 1.0 0.85584 0.25000 0.28953 1.0000 + Zn Zn269 1.0 0.85584 0.33333 0.28953 1.0000 + Zn Zn270 1.0 0.85584 0.41667 0.28953 1.0000 + Zn Zn271 1.0 0.85584 0.50000 0.28953 1.0000 + Zn Zn272 1.0 0.85584 0.58333 0.28953 1.0000 + Zn Zn273 1.0 0.85584 0.66667 0.28953 1.0000 + Zn Zn274 1.0 0.85584 0.75000 0.28953 1.0000 + Zn Zn275 1.0 0.85584 0.83333 0.28953 1.0000 + Zn Zn276 1.0 0.85584 0.91667 0.28953 1.0000 + Zn Zn277 1.0 0.93917 0.00000 0.28953 1.0000 + Zn Zn278 1.0 0.93917 0.08333 0.28953 1.0000 + Zn Zn279 1.0 0.93917 0.16667 0.28953 1.0000 + Zn Zn280 1.0 0.93917 0.25000 0.28953 1.0000 + Zn Zn281 1.0 0.93917 0.33333 0.28953 1.0000 + Zn Zn282 1.0 0.93917 0.41667 0.28953 1.0000 + Zn Zn283 1.0 0.93917 0.50000 0.28953 1.0000 + Zn Zn284 1.0 0.93917 0.58333 0.28953 1.0000 + Zn Zn285 1.0 0.93917 0.66667 0.28953 1.0000 + Zn Zn286 1.0 0.93917 0.75000 0.28953 1.0000 + Zn Zn287 1.0 0.93917 0.83333 0.28953 1.0000 + Zn Zn288 1.0 0.93917 0.91667 0.28953 1.0000 + Fe Fe1 1.0 0.02199 0.04167 0.50000 1.0000 + Fe Fe2 1.0 0.02199 0.12500 0.50000 1.0000 + Fe Fe3 1.0 0.02199 0.20833 0.50000 1.0000 + Fe Fe4 1.0 0.02199 0.29167 0.50000 1.0000 + Fe Fe5 1.0 0.02199 0.37500 0.50000 1.0000 + Fe Fe6 1.0 0.02199 0.45833 0.50000 1.0000 + Fe Fe7 1.0 0.02199 0.54167 0.50000 1.0000 + Fe Fe8 1.0 0.02199 0.62500 0.50000 1.0000 + Fe Fe9 1.0 0.02199 0.70833 0.50000 1.0000 + Fe Fe10 1.0 0.02199 0.79167 0.50000 1.0000 + Fe Fe11 1.0 0.02199 0.87500 0.50000 1.0000 + Fe Fe12 1.0 0.02199 0.95833 0.50000 1.0000 + Fe Fe13 1.0 0.10532 0.04167 0.50000 1.0000 + Fe Fe14 1.0 0.10532 0.12500 0.50000 1.0000 + Fe Fe15 1.0 0.10532 0.20833 0.50000 1.0000 + Fe Fe16 1.0 0.10532 0.29167 0.50000 1.0000 + Fe Fe17 1.0 0.10532 0.37500 0.50000 1.0000 + Fe Fe18 1.0 0.10532 0.45833 0.50000 1.0000 + Fe Fe19 1.0 0.10532 0.54167 0.50000 1.0000 + Fe Fe20 1.0 0.10532 0.62500 0.50000 1.0000 + Fe Fe21 1.0 0.10532 0.70833 0.50000 1.0000 + Fe Fe22 1.0 0.10532 0.79167 0.50000 1.0000 + Fe Fe23 1.0 0.10532 0.87500 0.50000 1.0000 + Fe Fe24 1.0 0.10532 0.95833 0.50000 1.0000 + Fe Fe25 1.0 0.18866 0.04167 0.50000 1.0000 + Fe Fe26 1.0 0.18866 0.12500 0.50000 1.0000 + Fe Fe27 1.0 0.18866 0.20833 0.50000 1.0000 + Fe Fe28 1.0 0.18866 0.29167 0.50000 1.0000 + Fe Fe29 1.0 0.18866 0.37500 0.50000 1.0000 + Fe Fe30 1.0 0.18866 0.45833 0.50000 1.0000 + Fe Fe31 1.0 0.18866 0.54167 0.50000 1.0000 + Fe Fe32 1.0 0.18866 0.62500 0.50000 1.0000 + Fe Fe33 1.0 0.18866 0.70833 0.50000 1.0000 + Fe Fe34 1.0 0.18866 0.79167 0.50000 1.0000 + Fe Fe35 1.0 0.18866 0.87500 0.50000 1.0000 + Fe Fe36 1.0 0.18866 0.95833 0.50000 1.0000 + Fe Fe37 1.0 0.27199 0.04167 0.50000 1.0000 + Fe Fe38 1.0 0.27199 0.12500 0.50000 1.0000 + Fe Fe39 1.0 0.27199 0.20833 0.50000 1.0000 + Fe Fe40 1.0 0.27199 0.29167 0.50000 1.0000 + Fe Fe41 1.0 0.27199 0.37500 0.50000 1.0000 + Fe Fe42 1.0 0.27199 0.45833 0.50000 1.0000 + Fe Fe43 1.0 0.27199 0.54167 0.50000 1.0000 + Fe Fe44 1.0 0.27199 0.62500 0.50000 1.0000 + Fe Fe45 1.0 0.27199 0.70833 0.50000 1.0000 + Fe Fe46 1.0 0.27199 0.79167 0.50000 1.0000 + Fe Fe47 1.0 0.27199 0.87500 0.50000 1.0000 + Fe Fe48 1.0 0.27199 0.95833 0.50000 1.0000 + Fe Fe49 1.0 0.35532 0.04167 0.50000 1.0000 + Fe Fe50 1.0 0.35532 0.12500 0.50000 1.0000 + Fe Fe51 1.0 0.35532 0.20833 0.50000 1.0000 + Fe Fe52 1.0 0.35532 0.29167 0.50000 1.0000 + Fe Fe53 1.0 0.35532 0.37500 0.50000 1.0000 + Fe Fe54 1.0 0.35532 0.45833 0.50000 1.0000 + Fe Fe55 1.0 0.35532 0.54167 0.50000 1.0000 + Fe Fe56 1.0 0.35532 0.62500 0.50000 1.0000 + Fe Fe57 1.0 0.35532 0.70833 0.50000 1.0000 + Fe Fe58 1.0 0.35532 0.79167 0.50000 1.0000 + Fe Fe59 1.0 0.35532 0.87500 0.50000 1.0000 + Fe Fe60 1.0 0.35532 0.95833 0.50000 1.0000 + Fe Fe61 1.0 0.43866 0.04167 0.50000 1.0000 + Fe Fe62 1.0 0.43866 0.12500 0.50000 1.0000 + Fe Fe63 1.0 0.43866 0.20833 0.50000 1.0000 + Fe Fe64 1.0 0.43866 0.29167 0.50000 1.0000 + Fe Fe65 1.0 0.43866 0.37500 0.50000 1.0000 + Fe Fe66 1.0 0.43866 0.45833 0.50000 1.0000 + Fe Fe67 1.0 0.43866 0.54167 0.50000 1.0000 + Fe Fe68 1.0 0.43866 0.62500 0.50000 1.0000 + Fe Fe69 1.0 0.43866 0.70833 0.50000 1.0000 + Fe Fe70 1.0 0.43866 0.79167 0.50000 1.0000 + Fe Fe71 1.0 0.43866 0.87500 0.50000 1.0000 + Fe Fe72 1.0 0.43866 0.95833 0.50000 1.0000 + Fe Fe73 1.0 0.52199 0.04167 0.50000 1.0000 + Fe Fe74 1.0 0.52199 0.12500 0.50000 1.0000 + Fe Fe75 1.0 0.52199 0.20833 0.50000 1.0000 + Fe Fe76 1.0 0.52199 0.29167 0.50000 1.0000 + Fe Fe77 1.0 0.52199 0.37500 0.50000 1.0000 + Fe Fe78 1.0 0.52199 0.45833 0.50000 1.0000 + Fe Fe79 1.0 0.52199 0.54167 0.50000 1.0000 + Fe Fe80 1.0 0.52199 0.62500 0.50000 1.0000 + Fe Fe81 1.0 0.52199 0.70833 0.50000 1.0000 + Fe Fe82 1.0 0.52199 0.79167 0.50000 1.0000 + Fe Fe83 1.0 0.52199 0.87500 0.50000 1.0000 + Fe Fe84 1.0 0.52199 0.95833 0.50000 1.0000 + Fe Fe85 1.0 0.60532 0.04167 0.50000 1.0000 + Fe Fe86 1.0 0.60532 0.12500 0.50000 1.0000 + Fe Fe87 1.0 0.60532 0.20833 0.50000 1.0000 + Fe Fe88 1.0 0.60532 0.29167 0.50000 1.0000 + Fe Fe89 1.0 0.60532 0.37500 0.50000 1.0000 + Fe Fe90 1.0 0.60532 0.45833 0.50000 1.0000 + Fe Fe91 1.0 0.60532 0.54167 0.50000 1.0000 + Fe Fe92 1.0 0.60532 0.62500 0.50000 1.0000 + Fe Fe93 1.0 0.60532 0.70833 0.50000 1.0000 + Fe Fe94 1.0 0.60532 0.79167 0.50000 1.0000 + Fe Fe95 1.0 0.60532 0.87500 0.50000 1.0000 + Fe Fe96 1.0 0.60532 0.95833 0.50000 1.0000 + Fe Fe97 1.0 0.68866 0.04167 0.50000 1.0000 + Fe Fe98 1.0 0.68866 0.12500 0.50000 1.0000 + Fe Fe99 1.0 0.68866 0.20833 0.50000 1.0000 + Fe Fe100 1.0 0.68866 0.29167 0.50000 1.0000 + Fe Fe101 1.0 0.68866 0.37500 0.50000 1.0000 + Fe Fe102 1.0 0.68866 0.45833 0.50000 1.0000 + Fe Fe103 1.0 0.68866 0.54167 0.50000 1.0000 + Fe Fe104 1.0 0.68866 0.62500 0.50000 1.0000 + Fe Fe105 1.0 0.68866 0.70833 0.50000 1.0000 + Fe Fe106 1.0 0.68866 0.79167 0.50000 1.0000 + Fe Fe107 1.0 0.68866 0.87500 0.50000 1.0000 + Fe Fe108 1.0 0.68866 0.95833 0.50000 1.0000 + Fe Fe109 1.0 0.77199 0.04167 0.50000 1.0000 + Fe Fe110 1.0 0.77199 0.12500 0.50000 1.0000 + Fe Fe111 1.0 0.77199 0.20833 0.50000 1.0000 + Fe Fe112 1.0 0.77199 0.29167 0.50000 1.0000 + Fe Fe113 1.0 0.77199 0.37500 0.50000 1.0000 + Fe Fe114 1.0 0.77199 0.45833 0.50000 1.0000 + Fe Fe115 1.0 0.77199 0.54167 0.50000 1.0000 + Fe Fe116 1.0 0.77199 0.62500 0.50000 1.0000 + Fe Fe117 1.0 0.77199 0.70833 0.50000 1.0000 + Fe Fe118 1.0 0.77199 0.79167 0.50000 1.0000 + Fe Fe119 1.0 0.77199 0.87500 0.50000 1.0000 + Fe Fe120 1.0 0.77199 0.95833 0.50000 1.0000 + Fe Fe121 1.0 0.85532 0.04167 0.50000 1.0000 + Fe Fe122 1.0 0.85532 0.12500 0.50000 1.0000 + Fe Fe123 1.0 0.85532 0.20833 0.50000 1.0000 + Fe Fe124 1.0 0.85532 0.29167 0.50000 1.0000 + Fe Fe125 1.0 0.85532 0.37500 0.50000 1.0000 + Fe Fe126 1.0 0.85532 0.45833 0.50000 1.0000 + Fe Fe127 1.0 0.85532 0.54167 0.50000 1.0000 + Fe Fe128 1.0 0.85532 0.62500 0.50000 1.0000 + Fe Fe129 1.0 0.85532 0.70833 0.50000 1.0000 + Fe Fe130 1.0 0.85532 0.79167 0.50000 1.0000 + Fe Fe131 1.0 0.85532 0.87500 0.50000 1.0000 + Fe Fe132 1.0 0.85532 0.95833 0.50000 1.0000 + Fe Fe133 1.0 0.93866 0.04167 0.50000 1.0000 + Fe Fe134 1.0 0.93866 0.12500 0.50000 1.0000 + Fe Fe135 1.0 0.93866 0.20833 0.50000 1.0000 + Fe Fe136 1.0 0.93866 0.29167 0.50000 1.0000 + Fe Fe137 1.0 0.93866 0.37500 0.50000 1.0000 + Fe Fe138 1.0 0.93866 0.45833 0.50000 1.0000 + Fe Fe139 1.0 0.93866 0.54167 0.50000 1.0000 + Fe Fe140 1.0 0.93866 0.62500 0.50000 1.0000 + Fe Fe141 1.0 0.93866 0.70833 0.50000 1.0000 + Fe Fe142 1.0 0.93866 0.79167 0.50000 1.0000 + Fe Fe143 1.0 0.93866 0.87500 0.50000 1.0000 + Fe Fe144 1.0 0.93866 0.95833 0.50000 1.0000 + Fe Fe145 1.0 0.06366 0.02042 0.50000 1.0000 + Fe Fe146 1.0 0.06366 0.10376 0.50000 1.0000 + Fe Fe147 1.0 0.06366 0.18709 0.50000 1.0000 + Fe Fe148 1.0 0.06366 0.27042 0.50000 1.0000 + Fe Fe149 1.0 0.06366 0.35376 0.50000 1.0000 + Fe Fe150 1.0 0.06366 0.43709 0.50000 1.0000 + Fe Fe151 1.0 0.06366 0.52042 0.50000 1.0000 + Fe Fe152 1.0 0.06366 0.60376 0.50000 1.0000 + Fe Fe153 1.0 0.06366 0.68709 0.50000 1.0000 + Fe Fe154 1.0 0.06366 0.77042 0.50000 1.0000 + Fe Fe155 1.0 0.06366 0.85376 0.50000 1.0000 + Fe Fe156 1.0 0.06366 0.93709 0.50000 1.0000 + Fe Fe157 1.0 0.14699 0.02042 0.50000 1.0000 + Fe Fe158 1.0 0.14699 0.10376 0.50000 1.0000 + Fe Fe159 1.0 0.14699 0.18709 0.50000 1.0000 + Fe Fe160 1.0 0.14699 0.27042 0.50000 1.0000 + Fe Fe161 1.0 0.14699 0.35376 0.50000 1.0000 + Fe Fe162 1.0 0.14699 0.43709 0.50000 1.0000 + Fe Fe163 1.0 0.14699 0.52042 0.50000 1.0000 + Fe Fe164 1.0 0.14699 0.60376 0.50000 1.0000 + Fe Fe165 1.0 0.14699 0.68709 0.50000 1.0000 + Fe Fe166 1.0 0.14699 0.77042 0.50000 1.0000 + Fe Fe167 1.0 0.14699 0.85376 0.50000 1.0000 + Fe Fe168 1.0 0.14699 0.93709 0.50000 1.0000 + Fe Fe169 1.0 0.23032 0.02042 0.50000 1.0000 + Fe Fe170 1.0 0.23032 0.10376 0.50000 1.0000 + Fe Fe171 1.0 0.23032 0.18709 0.50000 1.0000 + Fe Fe172 1.0 0.23032 0.27042 0.50000 1.0000 + Fe Fe173 1.0 0.23032 0.35376 0.50000 1.0000 + Fe Fe174 1.0 0.23032 0.43709 0.50000 1.0000 + Fe Fe175 1.0 0.23032 0.52042 0.50000 1.0000 + Fe Fe176 1.0 0.23032 0.60376 0.50000 1.0000 + Fe Fe177 1.0 0.23032 0.68709 0.50000 1.0000 + Fe Fe178 1.0 0.23032 0.77042 0.50000 1.0000 + Fe Fe179 1.0 0.23032 0.85376 0.50000 1.0000 + Fe Fe180 1.0 0.23032 0.93709 0.50000 1.0000 + Fe Fe181 1.0 0.31366 0.02042 0.50000 1.0000 + Fe Fe182 1.0 0.31366 0.10376 0.50000 1.0000 + Fe Fe183 1.0 0.31366 0.18709 0.50000 1.0000 + Fe Fe184 1.0 0.31366 0.27042 0.50000 1.0000 + Fe Fe185 1.0 0.31366 0.35376 0.50000 1.0000 + Fe Fe186 1.0 0.31366 0.43709 0.50000 1.0000 + Fe Fe187 1.0 0.31366 0.52042 0.50000 1.0000 + Fe Fe188 1.0 0.31366 0.60376 0.50000 1.0000 + Fe Fe189 1.0 0.31366 0.68709 0.50000 1.0000 + Fe Fe190 1.0 0.31366 0.77042 0.50000 1.0000 + Fe Fe191 1.0 0.31366 0.85376 0.50000 1.0000 + Fe Fe192 1.0 0.31366 0.93709 0.50000 1.0000 + Fe Fe193 1.0 0.39699 0.02042 0.50000 1.0000 + Fe Fe194 1.0 0.39699 0.10376 0.50000 1.0000 + Fe Fe195 1.0 0.39699 0.18709 0.50000 1.0000 + Fe Fe196 1.0 0.39699 0.27042 0.50000 1.0000 + Fe Fe197 1.0 0.39699 0.35376 0.50000 1.0000 + Fe Fe198 1.0 0.39699 0.43709 0.50000 1.0000 + Fe Fe199 1.0 0.39699 0.52042 0.50000 1.0000 + Fe Fe200 1.0 0.39699 0.60376 0.50000 1.0000 + Fe Fe201 1.0 0.39699 0.68709 0.50000 1.0000 + Fe Fe202 1.0 0.39699 0.77042 0.50000 1.0000 + Fe Fe203 1.0 0.39699 0.85376 0.50000 1.0000 + Fe Fe204 1.0 0.39699 0.93709 0.50000 1.0000 + Fe Fe205 1.0 0.48032 0.02042 0.50000 1.0000 + Fe Fe206 1.0 0.48032 0.10376 0.50000 1.0000 + Fe Fe207 1.0 0.48032 0.18709 0.50000 1.0000 + Fe Fe208 1.0 0.48032 0.27042 0.50000 1.0000 + Fe Fe209 1.0 0.48032 0.35376 0.50000 1.0000 + Fe Fe210 1.0 0.48032 0.43709 0.50000 1.0000 + Fe Fe211 1.0 0.48032 0.52042 0.50000 1.0000 + Fe Fe212 1.0 0.48032 0.60376 0.50000 1.0000 + Fe Fe213 1.0 0.48032 0.68709 0.50000 1.0000 + Fe Fe214 1.0 0.48032 0.77042 0.50000 1.0000 + Fe Fe215 1.0 0.48032 0.85376 0.50000 1.0000 + Fe Fe216 1.0 0.48032 0.93709 0.50000 1.0000 + Fe Fe217 1.0 0.56366 0.02042 0.50000 1.0000 + Fe Fe218 1.0 0.56366 0.10376 0.50000 1.0000 + Fe Fe219 1.0 0.56366 0.18709 0.50000 1.0000 + Fe Fe220 1.0 0.56366 0.27042 0.50000 1.0000 + Fe Fe221 1.0 0.56366 0.35376 0.50000 1.0000 + Fe Fe222 1.0 0.56366 0.43709 0.50000 1.0000 + Fe Fe223 1.0 0.56366 0.52042 0.50000 1.0000 + Fe Fe224 1.0 0.56366 0.60376 0.50000 1.0000 + Fe Fe225 1.0 0.56366 0.68709 0.50000 1.0000 + Fe Fe226 1.0 0.56366 0.77042 0.50000 1.0000 + Fe Fe227 1.0 0.56366 0.85376 0.50000 1.0000 + Fe Fe228 1.0 0.56366 0.93709 0.50000 1.0000 + Fe Fe229 1.0 0.64699 0.02042 0.50000 1.0000 + Fe Fe230 1.0 0.64699 0.10376 0.50000 1.0000 + Fe Fe231 1.0 0.64699 0.18709 0.50000 1.0000 + Fe Fe232 1.0 0.64699 0.27042 0.50000 1.0000 + Fe Fe233 1.0 0.64699 0.35376 0.50000 1.0000 + Fe Fe234 1.0 0.64699 0.43709 0.50000 1.0000 + Fe Fe235 1.0 0.64699 0.52042 0.50000 1.0000 + Fe Fe236 1.0 0.64699 0.60376 0.50000 1.0000 + Fe Fe237 1.0 0.64699 0.68709 0.50000 1.0000 + Fe Fe238 1.0 0.64699 0.77042 0.50000 1.0000 + Fe Fe239 1.0 0.64699 0.85376 0.50000 1.0000 + Fe Fe240 1.0 0.64699 0.93709 0.50000 1.0000 + Fe Fe241 1.0 0.73032 0.02042 0.50000 1.0000 + Fe Fe242 1.0 0.73032 0.10376 0.50000 1.0000 + Fe Fe243 1.0 0.73032 0.18709 0.50000 1.0000 + Fe Fe244 1.0 0.73032 0.27042 0.50000 1.0000 + Fe Fe245 1.0 0.73032 0.35376 0.50000 1.0000 + Fe Fe246 1.0 0.73032 0.43709 0.50000 1.0000 + Fe Fe247 1.0 0.73032 0.52042 0.50000 1.0000 + Fe Fe248 1.0 0.73032 0.60376 0.50000 1.0000 + Fe Fe249 1.0 0.73032 0.68709 0.50000 1.0000 + Fe Fe250 1.0 0.73032 0.77042 0.50000 1.0000 + Fe Fe251 1.0 0.73032 0.85376 0.50000 1.0000 + Fe Fe252 1.0 0.73032 0.93709 0.50000 1.0000 + Fe Fe253 1.0 0.81366 0.02042 0.50000 1.0000 + Fe Fe254 1.0 0.81366 0.10376 0.50000 1.0000 + Fe Fe255 1.0 0.81366 0.18709 0.50000 1.0000 + Fe Fe256 1.0 0.81366 0.27042 0.50000 1.0000 + Fe Fe257 1.0 0.81366 0.35376 0.50000 1.0000 + Fe Fe258 1.0 0.81366 0.43709 0.50000 1.0000 + Fe Fe259 1.0 0.81366 0.52042 0.50000 1.0000 + Fe Fe260 1.0 0.81366 0.60376 0.50000 1.0000 + Fe Fe261 1.0 0.81366 0.68709 0.50000 1.0000 + Fe Fe262 1.0 0.81366 0.77042 0.50000 1.0000 + Fe Fe263 1.0 0.81366 0.85376 0.50000 1.0000 + Fe Fe264 1.0 0.81366 0.93709 0.50000 1.0000 + Fe Fe265 1.0 0.89699 0.02042 0.50000 1.0000 + Fe Fe266 1.0 0.89699 0.10376 0.50000 1.0000 + Fe Fe267 1.0 0.89699 0.18709 0.50000 1.0000 + Fe Fe268 1.0 0.89699 0.27042 0.50000 1.0000 + Fe Fe269 1.0 0.89699 0.35376 0.50000 1.0000 + Fe Fe270 1.0 0.89699 0.43709 0.50000 1.0000 + Fe Fe271 1.0 0.89699 0.52042 0.50000 1.0000 + Fe Fe272 1.0 0.89699 0.60376 0.50000 1.0000 + Fe Fe273 1.0 0.89699 0.68709 0.50000 1.0000 + Fe Fe274 1.0 0.89699 0.77042 0.50000 1.0000 + Fe Fe275 1.0 0.89699 0.85376 0.50000 1.0000 + Fe Fe276 1.0 0.89699 0.93709 0.50000 1.0000 + Fe Fe277 1.0 0.98032 0.02042 0.50000 1.0000 + Fe Fe278 1.0 0.98032 0.10376 0.50000 1.0000 + Fe Fe279 1.0 0.98032 0.18709 0.50000 1.0000 + Fe Fe280 1.0 0.98032 0.27042 0.50000 1.0000 + Fe Fe281 1.0 0.98032 0.35376 0.50000 1.0000 + Fe Fe282 1.0 0.98032 0.43709 0.50000 1.0000 + Fe Fe283 1.0 0.98032 0.52042 0.50000 1.0000 + Fe Fe284 1.0 0.98032 0.60376 0.50000 1.0000 + Fe Fe285 1.0 0.98032 0.68709 0.50000 1.0000 + Fe Fe286 1.0 0.98032 0.77042 0.50000 1.0000 + Fe Fe287 1.0 0.98032 0.85376 0.50000 1.0000 + Fe Fe288 1.0 0.98032 0.93709 0.50000 1.0000 + Fe Fe289 1.0 0.06366 0.06291 0.50000 1.0000 + Fe Fe290 1.0 0.06366 0.14624 0.50000 1.0000 + Fe Fe291 1.0 0.06366 0.22958 0.50000 1.0000 + Fe Fe292 1.0 0.06366 0.31291 0.50000 1.0000 + Fe Fe293 1.0 0.06366 0.39624 0.50000 1.0000 + Fe Fe294 1.0 0.06366 0.47958 0.50000 1.0000 + Fe Fe295 1.0 0.06366 0.56291 0.50000 1.0000 + Fe Fe296 1.0 0.06366 0.64624 0.50000 1.0000 + Fe Fe297 1.0 0.06366 0.72958 0.50000 1.0000 + Fe Fe298 1.0 0.06366 0.81291 0.50000 1.0000 + Fe Fe299 1.0 0.06366 0.89624 0.50000 1.0000 + Fe Fe300 1.0 0.06366 0.97958 0.50000 1.0000 + Fe Fe301 1.0 0.14699 0.06291 0.50000 1.0000 + Fe Fe302 1.0 0.14699 0.14624 0.50000 1.0000 + Fe Fe303 1.0 0.14699 0.22958 0.50000 1.0000 + Fe Fe304 1.0 0.14699 0.31291 0.50000 1.0000 + Fe Fe305 1.0 0.14699 0.39624 0.50000 1.0000 + Fe Fe306 1.0 0.14699 0.47958 0.50000 1.0000 + Fe Fe307 1.0 0.14699 0.56291 0.50000 1.0000 + Fe Fe308 1.0 0.14699 0.64624 0.50000 1.0000 + Fe Fe309 1.0 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Fe Fe331 1.0 0.31366 0.56291 0.50000 1.0000 + Fe Fe332 1.0 0.31366 0.64624 0.50000 1.0000 + Fe Fe333 1.0 0.31366 0.72958 0.50000 1.0000 + Fe Fe334 1.0 0.31366 0.81291 0.50000 1.0000 + Fe Fe335 1.0 0.31366 0.89624 0.50000 1.0000 + Fe Fe336 1.0 0.31366 0.97958 0.50000 1.0000 + Fe Fe337 1.0 0.39699 0.06291 0.50000 1.0000 + Fe Fe338 1.0 0.39699 0.14624 0.50000 1.0000 + Fe Fe339 1.0 0.39699 0.22958 0.50000 1.0000 + Fe Fe340 1.0 0.39699 0.31291 0.50000 1.0000 + Fe Fe341 1.0 0.39699 0.39624 0.50000 1.0000 + Fe Fe342 1.0 0.39699 0.47958 0.50000 1.0000 + Fe Fe343 1.0 0.39699 0.56291 0.50000 1.0000 + Fe Fe344 1.0 0.39699 0.64624 0.50000 1.0000 + Fe Fe345 1.0 0.39699 0.72958 0.50000 1.0000 + Fe Fe346 1.0 0.39699 0.81291 0.50000 1.0000 + Fe Fe347 1.0 0.39699 0.89624 0.50000 1.0000 + Fe Fe348 1.0 0.39699 0.97958 0.50000 1.0000 + Fe Fe349 1.0 0.48032 0.06291 0.50000 1.0000 + Fe Fe350 1.0 0.48032 0.14624 0.50000 1.0000 + Fe Fe351 1.0 0.48032 0.22958 0.50000 1.0000 + Fe Fe352 1.0 0.48032 0.31291 0.50000 1.0000 + Fe Fe353 1.0 0.48032 0.39624 0.50000 1.0000 + Fe Fe354 1.0 0.48032 0.47958 0.50000 1.0000 + Fe Fe355 1.0 0.48032 0.56291 0.50000 1.0000 + Fe Fe356 1.0 0.48032 0.64624 0.50000 1.0000 + Fe Fe357 1.0 0.48032 0.72958 0.50000 1.0000 + Fe Fe358 1.0 0.48032 0.81291 0.50000 1.0000 + Fe Fe359 1.0 0.48032 0.89624 0.50000 1.0000 + Fe Fe360 1.0 0.48032 0.97958 0.50000 1.0000 + Fe Fe361 1.0 0.56366 0.06291 0.50000 1.0000 + Fe Fe362 1.0 0.56366 0.14624 0.50000 1.0000 + Fe Fe363 1.0 0.56366 0.22958 0.50000 1.0000 + Fe Fe364 1.0 0.56366 0.31291 0.50000 1.0000 + Fe Fe365 1.0 0.56366 0.39624 0.50000 1.0000 + Fe Fe366 1.0 0.56366 0.47958 0.50000 1.0000 + Fe Fe367 1.0 0.56366 0.56291 0.50000 1.0000 + Fe Fe368 1.0 0.56366 0.64624 0.50000 1.0000 + Fe Fe369 1.0 0.56366 0.72958 0.50000 1.0000 + Fe Fe370 1.0 0.56366 0.81291 0.50000 1.0000 + Fe Fe371 1.0 0.56366 0.89624 0.50000 1.0000 + Fe Fe372 1.0 0.56366 0.97958 0.50000 1.0000 + Fe Fe373 1.0 0.64699 0.06291 0.50000 1.0000 + Fe Fe374 1.0 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Fe Fe396 1.0 0.73032 0.97958 0.50000 1.0000 + Fe Fe397 1.0 0.81366 0.06291 0.50000 1.0000 + Fe Fe398 1.0 0.81366 0.14624 0.50000 1.0000 + Fe Fe399 1.0 0.81366 0.22958 0.50000 1.0000 + Fe Fe400 1.0 0.81366 0.31291 0.50000 1.0000 + Fe Fe401 1.0 0.81366 0.39624 0.50000 1.0000 + Fe Fe402 1.0 0.81366 0.47958 0.50000 1.0000 + Fe Fe403 1.0 0.81366 0.56291 0.50000 1.0000 + Fe Fe404 1.0 0.81366 0.64624 0.50000 1.0000 + Fe Fe405 1.0 0.81366 0.72958 0.50000 1.0000 + Fe Fe406 1.0 0.81366 0.81291 0.50000 1.0000 + Fe Fe407 1.0 0.81366 0.89624 0.50000 1.0000 + Fe Fe408 1.0 0.81366 0.97958 0.50000 1.0000 + Fe Fe409 1.0 0.89699 0.06291 0.50000 1.0000 + Fe Fe410 1.0 0.89699 0.14624 0.50000 1.0000 + Fe Fe411 1.0 0.89699 0.22958 0.50000 1.0000 + Fe Fe412 1.0 0.89699 0.31291 0.50000 1.0000 + Fe Fe413 1.0 0.89699 0.39624 0.50000 1.0000 + Fe Fe414 1.0 0.89699 0.47958 0.50000 1.0000 + Fe Fe415 1.0 0.89699 0.56291 0.50000 1.0000 + Fe Fe416 1.0 0.89699 0.64624 0.50000 1.0000 + Fe Fe417 1.0 0.89699 0.72958 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O O8 1.0 0.07520 0.58333 0.34198 1.0000 + O O9 1.0 0.07520 0.66667 0.34198 1.0000 + O O10 1.0 0.07520 0.75000 0.34198 1.0000 + O O11 1.0 0.07520 0.83333 0.34198 1.0000 + O O12 1.0 0.07520 0.91667 0.34198 1.0000 + O O13 1.0 0.15854 0.00000 0.34198 1.0000 + O O14 1.0 0.15854 0.08333 0.34198 1.0000 + O O15 1.0 0.15854 0.16667 0.34198 1.0000 + O O16 1.0 0.15854 0.25000 0.34198 1.0000 + O O17 1.0 0.15854 0.33333 0.34198 1.0000 + O O18 1.0 0.15854 0.41667 0.34198 1.0000 + O O19 1.0 0.15854 0.50000 0.34198 1.0000 + O O20 1.0 0.15854 0.58333 0.34198 1.0000 + O O21 1.0 0.15854 0.66667 0.34198 1.0000 + O O22 1.0 0.15854 0.75000 0.34198 1.0000 + O O23 1.0 0.15854 0.83333 0.34198 1.0000 + O O24 1.0 0.15854 0.91667 0.34198 1.0000 + O O25 1.0 0.24187 0.00000 0.34198 1.0000 + O O26 1.0 0.24187 0.08333 0.34198 1.0000 + O O27 1.0 0.24187 0.16667 0.34198 1.0000 + O O28 1.0 0.24187 0.25000 0.34198 1.0000 + O O29 1.0 0.24187 0.33333 0.34198 1.0000 + O O30 1.0 0.24187 0.41667 0.34198 1.0000 + O O31 1.0 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O1096 1.0 0.62069 0.27248 0.34422 1.0000 + O O1097 1.0 0.62069 0.35582 0.34422 1.0000 + O O1098 1.0 0.62069 0.43915 0.34422 1.0000 + O O1099 1.0 0.62069 0.52248 0.34422 1.0000 + O O1100 1.0 0.62069 0.60582 0.34422 1.0000 + O O1101 1.0 0.62069 0.68915 0.34422 1.0000 + O O1102 1.0 0.62069 0.77248 0.34422 1.0000 + O O1103 1.0 0.62069 0.85582 0.34422 1.0000 + O O1104 1.0 0.62069 0.93915 0.34422 1.0000 + O O1105 1.0 0.70402 0.02248 0.34422 1.0000 + O O1106 1.0 0.70402 0.10582 0.34422 1.0000 + O O1107 1.0 0.70402 0.18915 0.34422 1.0000 + O O1108 1.0 0.70402 0.27248 0.34422 1.0000 + O O1109 1.0 0.70402 0.35582 0.34422 1.0000 + O O1110 1.0 0.70402 0.43915 0.34422 1.0000 + O O1111 1.0 0.70402 0.52248 0.34422 1.0000 + O O1112 1.0 0.70402 0.60582 0.34422 1.0000 + O O1113 1.0 0.70402 0.68915 0.34422 1.0000 + O O1114 1.0 0.70402 0.77248 0.34422 1.0000 + O O1115 1.0 0.70402 0.85582 0.34422 1.0000 + O O1116 1.0 0.70402 0.93915 0.34422 1.0000 + O O1117 1.0 0.78736 0.02248 0.34422 1.0000 + O O1118 1.0 0.78736 0.10582 0.34422 1.0000 + O O1119 1.0 0.78736 0.18915 0.34422 1.0000 + O O1120 1.0 0.78736 0.27248 0.34422 1.0000 + O O1121 1.0 0.78736 0.35582 0.34422 1.0000 + O O1122 1.0 0.78736 0.43915 0.34422 1.0000 + O O1123 1.0 0.78736 0.52248 0.34422 1.0000 + O O1124 1.0 0.78736 0.60582 0.34422 1.0000 + O O1125 1.0 0.78736 0.68915 0.34422 1.0000 + O O1126 1.0 0.78736 0.77248 0.34422 1.0000 + O O1127 1.0 0.78736 0.85582 0.34422 1.0000 + O O1128 1.0 0.78736 0.93915 0.34422 1.0000 + O O1129 1.0 0.87069 0.02248 0.34422 1.0000 + O O1130 1.0 0.87069 0.10582 0.34422 1.0000 + O O1131 1.0 0.87069 0.18915 0.34422 1.0000 + O O1132 1.0 0.87069 0.27248 0.34422 1.0000 + O O1133 1.0 0.87069 0.35582 0.34422 1.0000 + O O1134 1.0 0.87069 0.43915 0.34422 1.0000 + O O1135 1.0 0.87069 0.52248 0.34422 1.0000 + O O1136 1.0 0.87069 0.60582 0.34422 1.0000 + O O1137 1.0 0.87069 0.68915 0.34422 1.0000 + O O1138 1.0 0.87069 0.77248 0.34422 1.0000 + O O1139 1.0 0.87069 0.85582 0.34422 1.0000 + O O1140 1.0 0.87069 0.93915 0.34422 1.0000 + O O1141 1.0 0.95402 0.02248 0.34422 1.0000 + O O1142 1.0 0.95402 0.10582 0.34422 1.0000 + O O1143 1.0 0.95402 0.18915 0.34422 1.0000 + O O1144 1.0 0.95402 0.27248 0.34422 1.0000 + O O1145 1.0 0.95402 0.35582 0.34422 1.0000 + O O1146 1.0 0.95402 0.43915 0.34422 1.0000 + O O1147 1.0 0.95402 0.52248 0.34422 1.0000 + O O1148 1.0 0.95402 0.60582 0.34422 1.0000 + O O1149 1.0 0.95402 0.68915 0.34422 1.0000 + O O1150 1.0 0.95402 0.77248 0.34422 1.0000 + O O1151 1.0 0.95402 0.85582 0.34422 1.0000 + O O1152 1.0 0.95402 0.93915 0.34422 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5365_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5365_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..ff9edda415ab16d6744c6b5ccf3b8bc8b98337ed --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5365_supercell_12x12x1.cif @@ -0,0 +1,1033 @@ +data_image0 +_chemical_formula_structural Mn144Cu288Cl576 +_chemical_formula_sum "Mn144 Cu288 Cl576" +_cell_length_a 44.3889 +_cell_length_b 94.3394 +_cell_length_c 6.96325 +_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 0.50328 1.0000 + Mn Mn2 1.0 0.00000 0.08333 0.50328 1.0000 + Mn Mn3 1.0 0.00000 0.16667 0.50328 1.0000 + Mn Mn4 1.0 0.00000 0.25000 0.50328 1.0000 + Mn Mn5 1.0 0.00000 0.33333 0.50328 1.0000 + Mn Mn6 1.0 0.00000 0.41667 0.50328 1.0000 + Mn Mn7 1.0 0.00000 0.50000 0.50328 1.0000 + Mn Mn8 1.0 0.00000 0.58333 0.50328 1.0000 + Mn Mn9 1.0 0.00000 0.66667 0.50328 1.0000 + Mn Mn10 1.0 0.00000 0.75000 0.50328 1.0000 + Mn Mn11 1.0 0.00000 0.83333 0.50328 1.0000 + Mn Mn12 1.0 0.00000 0.91667 0.50328 1.0000 + Mn Mn13 1.0 0.08333 0.00000 0.50328 1.0000 + Mn Mn14 1.0 0.08333 0.08333 0.50328 1.0000 + Mn Mn15 1.0 0.08333 0.16667 0.50328 1.0000 + Mn Mn16 1.0 0.08333 0.25000 0.50328 1.0000 + Mn Mn17 1.0 0.08333 0.33333 0.50328 1.0000 + Mn Mn18 1.0 0.08333 0.41667 0.50328 1.0000 + Mn Mn19 1.0 0.08333 0.50000 0.50328 1.0000 + Mn Mn20 1.0 0.08333 0.58333 0.50328 1.0000 + Mn Mn21 1.0 0.08333 0.66667 0.50328 1.0000 + Mn Mn22 1.0 0.08333 0.75000 0.50328 1.0000 + Mn Mn23 1.0 0.08333 0.83333 0.50328 1.0000 + Mn Mn24 1.0 0.08333 0.91667 0.50328 1.0000 + Mn Mn25 1.0 0.16667 0.00000 0.50328 1.0000 + Mn Mn26 1.0 0.16667 0.08333 0.50328 1.0000 + Mn Mn27 1.0 0.16667 0.16667 0.50328 1.0000 + Mn Mn28 1.0 0.16667 0.25000 0.50328 1.0000 + Mn Mn29 1.0 0.16667 0.33333 0.50328 1.0000 + Mn Mn30 1.0 0.16667 0.41667 0.50328 1.0000 + Mn Mn31 1.0 0.16667 0.50000 0.50328 1.0000 + Mn Mn32 1.0 0.16667 0.58333 0.50328 1.0000 + Mn Mn33 1.0 0.16667 0.66667 0.50328 1.0000 + Mn Mn34 1.0 0.16667 0.75000 0.50328 1.0000 + Mn Mn35 1.0 0.16667 0.83333 0.50328 1.0000 + Mn Mn36 1.0 0.16667 0.91667 0.50328 1.0000 + Mn Mn37 1.0 0.25000 0.00000 0.50328 1.0000 + Mn Mn38 1.0 0.25000 0.08333 0.50328 1.0000 + Mn Mn39 1.0 0.25000 0.16667 0.50328 1.0000 + Mn Mn40 1.0 0.25000 0.25000 0.50328 1.0000 + Mn Mn41 1.0 0.25000 0.33333 0.50328 1.0000 + Mn Mn42 1.0 0.25000 0.41667 0.50328 1.0000 + Mn Mn43 1.0 0.25000 0.50000 0.50328 1.0000 + Mn Mn44 1.0 0.25000 0.58333 0.50328 1.0000 + Mn Mn45 1.0 0.25000 0.66667 0.50328 1.0000 + Mn Mn46 1.0 0.25000 0.75000 0.50328 1.0000 + Mn Mn47 1.0 0.25000 0.83333 0.50328 1.0000 + Mn Mn48 1.0 0.25000 0.91667 0.50328 1.0000 + Mn Mn49 1.0 0.33333 0.00000 0.50328 1.0000 + Mn Mn50 1.0 0.33333 0.08333 0.50328 1.0000 + Mn Mn51 1.0 0.33333 0.16667 0.50328 1.0000 + Mn Mn52 1.0 0.33333 0.25000 0.50328 1.0000 + Mn Mn53 1.0 0.33333 0.33333 0.50328 1.0000 + Mn Mn54 1.0 0.33333 0.41667 0.50328 1.0000 + Mn Mn55 1.0 0.33333 0.50000 0.50328 1.0000 + Mn Mn56 1.0 0.33333 0.58333 0.50328 1.0000 + Mn Mn57 1.0 0.33333 0.66667 0.50328 1.0000 + Mn Mn58 1.0 0.33333 0.75000 0.50328 1.0000 + Mn Mn59 1.0 0.33333 0.83333 0.50328 1.0000 + Mn Mn60 1.0 0.33333 0.91667 0.50328 1.0000 + Mn Mn61 1.0 0.41667 0.00000 0.50328 1.0000 + Mn Mn62 1.0 0.41667 0.08333 0.50328 1.0000 + Mn Mn63 1.0 0.41667 0.16667 0.50328 1.0000 + Mn Mn64 1.0 0.41667 0.25000 0.50328 1.0000 + Mn Mn65 1.0 0.41667 0.33333 0.50328 1.0000 + Mn Mn66 1.0 0.41667 0.41667 0.50328 1.0000 + Mn Mn67 1.0 0.41667 0.50000 0.50328 1.0000 + Mn Mn68 1.0 0.41667 0.58333 0.50328 1.0000 + Mn Mn69 1.0 0.41667 0.66667 0.50328 1.0000 + Mn Mn70 1.0 0.41667 0.75000 0.50328 1.0000 + Mn Mn71 1.0 0.41667 0.83333 0.50328 1.0000 + Mn Mn72 1.0 0.41667 0.91667 0.50328 1.0000 + Mn Mn73 1.0 0.50000 0.00000 0.50328 1.0000 + Mn Mn74 1.0 0.50000 0.08333 0.50328 1.0000 + Mn Mn75 1.0 0.50000 0.16667 0.50328 1.0000 + Mn Mn76 1.0 0.50000 0.25000 0.50328 1.0000 + Mn Mn77 1.0 0.50000 0.33333 0.50328 1.0000 + Mn Mn78 1.0 0.50000 0.41667 0.50328 1.0000 + Mn Mn79 1.0 0.50000 0.50000 0.50328 1.0000 + Mn Mn80 1.0 0.50000 0.58333 0.50328 1.0000 + Mn Mn81 1.0 0.50000 0.66667 0.50328 1.0000 + Mn Mn82 1.0 0.50000 0.75000 0.50328 1.0000 + Mn Mn83 1.0 0.50000 0.83333 0.50328 1.0000 + Mn Mn84 1.0 0.50000 0.91667 0.50328 1.0000 + Mn Mn85 1.0 0.58333 0.00000 0.50328 1.0000 + Mn Mn86 1.0 0.58333 0.08333 0.50328 1.0000 + Mn Mn87 1.0 0.58333 0.16667 0.50328 1.0000 + Mn Mn88 1.0 0.58333 0.25000 0.50328 1.0000 + Mn Mn89 1.0 0.58333 0.33333 0.50328 1.0000 + Mn Mn90 1.0 0.58333 0.41667 0.50328 1.0000 + Mn Mn91 1.0 0.58333 0.50000 0.50328 1.0000 + Mn Mn92 1.0 0.58333 0.58333 0.50328 1.0000 + Mn Mn93 1.0 0.58333 0.66667 0.50328 1.0000 + Mn Mn94 1.0 0.58333 0.75000 0.50328 1.0000 + Mn Mn95 1.0 0.58333 0.83333 0.50328 1.0000 + Mn Mn96 1.0 0.58333 0.91667 0.50328 1.0000 + Mn Mn97 1.0 0.66667 0.00000 0.50328 1.0000 + Mn Mn98 1.0 0.66667 0.08333 0.50328 1.0000 + Mn Mn99 1.0 0.66667 0.16667 0.50328 1.0000 + Mn Mn100 1.0 0.66667 0.25000 0.50328 1.0000 + Mn Mn101 1.0 0.66667 0.33333 0.50328 1.0000 + Mn Mn102 1.0 0.66667 0.41667 0.50328 1.0000 + Mn Mn103 1.0 0.66667 0.50000 0.50328 1.0000 + Mn Mn104 1.0 0.66667 0.58333 0.50328 1.0000 + Mn Mn105 1.0 0.66667 0.66667 0.50328 1.0000 + Mn Mn106 1.0 0.66667 0.75000 0.50328 1.0000 + Mn Mn107 1.0 0.66667 0.83333 0.50328 1.0000 + Mn Mn108 1.0 0.66667 0.91667 0.50328 1.0000 + Mn Mn109 1.0 0.75000 0.00000 0.50328 1.0000 + Mn Mn110 1.0 0.75000 0.08333 0.50328 1.0000 + Mn Mn111 1.0 0.75000 0.16667 0.50328 1.0000 + Mn Mn112 1.0 0.75000 0.25000 0.50328 1.0000 + Mn Mn113 1.0 0.75000 0.33333 0.50328 1.0000 + Mn Mn114 1.0 0.75000 0.41667 0.50328 1.0000 + Mn Mn115 1.0 0.75000 0.50000 0.50328 1.0000 + Mn Mn116 1.0 0.75000 0.58333 0.50328 1.0000 + Mn Mn117 1.0 0.75000 0.66667 0.50328 1.0000 + Mn Mn118 1.0 0.75000 0.75000 0.50328 1.0000 + Mn Mn119 1.0 0.75000 0.83333 0.50328 1.0000 + Mn Mn120 1.0 0.75000 0.91667 0.50328 1.0000 + Mn Mn121 1.0 0.83333 0.00000 0.50328 1.0000 + Mn Mn122 1.0 0.83333 0.08333 0.50328 1.0000 + Mn Mn123 1.0 0.83333 0.16667 0.50328 1.0000 + Mn Mn124 1.0 0.83333 0.25000 0.50328 1.0000 + Mn Mn125 1.0 0.83333 0.33333 0.50328 1.0000 + Mn Mn126 1.0 0.83333 0.41667 0.50328 1.0000 + Mn Mn127 1.0 0.83333 0.50000 0.50328 1.0000 + Mn Mn128 1.0 0.83333 0.58333 0.50328 1.0000 + Mn Mn129 1.0 0.83333 0.66667 0.50328 1.0000 + Mn Mn130 1.0 0.83333 0.75000 0.50328 1.0000 + Mn Mn131 1.0 0.83333 0.83333 0.50328 1.0000 + Mn Mn132 1.0 0.83333 0.91667 0.50328 1.0000 + Mn Mn133 1.0 0.91667 0.00000 0.50328 1.0000 + Mn Mn134 1.0 0.91667 0.08333 0.50328 1.0000 + Mn Mn135 1.0 0.91667 0.16667 0.50328 1.0000 + Mn Mn136 1.0 0.91667 0.25000 0.50328 1.0000 + Mn Mn137 1.0 0.91667 0.33333 0.50328 1.0000 + Mn Mn138 1.0 0.91667 0.41667 0.50328 1.0000 + Mn Mn139 1.0 0.91667 0.50000 0.50328 1.0000 + Mn Mn140 1.0 0.91667 0.58333 0.50328 1.0000 + Mn Mn141 1.0 0.91667 0.66667 0.50328 1.0000 + Mn Mn142 1.0 0.91667 0.75000 0.50328 1.0000 + Mn Mn143 1.0 0.91667 0.83333 0.50328 1.0000 + Mn Mn144 1.0 0.91667 0.91667 0.50328 1.0000 + Cu Cu1 1.0 0.04167 0.02788 0.54028 1.0000 + Cu Cu2 1.0 0.04167 0.11121 0.54028 1.0000 + Cu Cu3 1.0 0.04167 0.19454 0.54028 1.0000 + Cu Cu4 1.0 0.04167 0.27788 0.54028 1.0000 + Cu Cu5 1.0 0.04167 0.36121 0.54028 1.0000 + Cu Cu6 1.0 0.04167 0.44454 0.54028 1.0000 + Cu Cu7 1.0 0.04167 0.52788 0.54028 1.0000 + Cu Cu8 1.0 0.04167 0.61121 0.54028 1.0000 + Cu Cu9 1.0 0.04167 0.69454 0.54028 1.0000 + Cu Cu10 1.0 0.04167 0.77788 0.54028 1.0000 + Cu Cu11 1.0 0.04167 0.86121 0.54028 1.0000 + Cu Cu12 1.0 0.04167 0.94454 0.54028 1.0000 + Cu Cu13 1.0 0.12500 0.02788 0.54028 1.0000 + Cu Cu14 1.0 0.12500 0.11121 0.54028 1.0000 + Cu Cu15 1.0 0.12500 0.19454 0.54028 1.0000 + Cu Cu16 1.0 0.12500 0.27788 0.54028 1.0000 + Cu Cu17 1.0 0.12500 0.36121 0.54028 1.0000 + Cu Cu18 1.0 0.12500 0.44454 0.54028 1.0000 + Cu Cu19 1.0 0.12500 0.52788 0.54028 1.0000 + Cu Cu20 1.0 0.12500 0.61121 0.54028 1.0000 + Cu Cu21 1.0 0.12500 0.69454 0.54028 1.0000 + Cu Cu22 1.0 0.12500 0.77788 0.54028 1.0000 + Cu Cu23 1.0 0.12500 0.86121 0.54028 1.0000 + Cu Cu24 1.0 0.12500 0.94454 0.54028 1.0000 + Cu Cu25 1.0 0.20833 0.02788 0.54028 1.0000 + Cu Cu26 1.0 0.20833 0.11121 0.54028 1.0000 + Cu Cu27 1.0 0.20833 0.19454 0.54028 1.0000 + Cu Cu28 1.0 0.20833 0.27788 0.54028 1.0000 + Cu Cu29 1.0 0.20833 0.36121 0.54028 1.0000 + Cu Cu30 1.0 0.20833 0.44454 0.54028 1.0000 + Cu Cu31 1.0 0.20833 0.52788 0.54028 1.0000 + Cu Cu32 1.0 0.20833 0.61121 0.54028 1.0000 + Cu Cu33 1.0 0.20833 0.69454 0.54028 1.0000 + Cu Cu34 1.0 0.20833 0.77788 0.54028 1.0000 + Cu Cu35 1.0 0.20833 0.86121 0.54028 1.0000 + Cu Cu36 1.0 0.20833 0.94454 0.54028 1.0000 + Cu Cu37 1.0 0.29167 0.02788 0.54028 1.0000 + Cu Cu38 1.0 0.29167 0.11121 0.54028 1.0000 + Cu Cu39 1.0 0.29167 0.19454 0.54028 1.0000 + Cu Cu40 1.0 0.29167 0.27788 0.54028 1.0000 + Cu Cu41 1.0 0.29167 0.36121 0.54028 1.0000 + Cu Cu42 1.0 0.29167 0.44454 0.54028 1.0000 + Cu Cu43 1.0 0.29167 0.52788 0.54028 1.0000 + Cu Cu44 1.0 0.29167 0.61121 0.54028 1.0000 + Cu Cu45 1.0 0.29167 0.69454 0.54028 1.0000 + Cu Cu46 1.0 0.29167 0.77788 0.54028 1.0000 + Cu Cu47 1.0 0.29167 0.86121 0.54028 1.0000 + Cu Cu48 1.0 0.29167 0.94454 0.54028 1.0000 + Cu Cu49 1.0 0.37500 0.02788 0.54028 1.0000 + Cu Cu50 1.0 0.37500 0.11121 0.54028 1.0000 + Cu Cu51 1.0 0.37500 0.19454 0.54028 1.0000 + Cu Cu52 1.0 0.37500 0.27788 0.54028 1.0000 + Cu Cu53 1.0 0.37500 0.36121 0.54028 1.0000 + Cu Cu54 1.0 0.37500 0.44454 0.54028 1.0000 + Cu Cu55 1.0 0.37500 0.52788 0.54028 1.0000 + Cu Cu56 1.0 0.37500 0.61121 0.54028 1.0000 + Cu Cu57 1.0 0.37500 0.69454 0.54028 1.0000 + Cu Cu58 1.0 0.37500 0.77788 0.54028 1.0000 + Cu Cu59 1.0 0.37500 0.86121 0.54028 1.0000 + Cu Cu60 1.0 0.37500 0.94454 0.54028 1.0000 + Cu Cu61 1.0 0.45833 0.02788 0.54028 1.0000 + Cu Cu62 1.0 0.45833 0.11121 0.54028 1.0000 + Cu Cu63 1.0 0.45833 0.19454 0.54028 1.0000 + Cu Cu64 1.0 0.45833 0.27788 0.54028 1.0000 + Cu Cu65 1.0 0.45833 0.36121 0.54028 1.0000 + Cu Cu66 1.0 0.45833 0.44454 0.54028 1.0000 + Cu Cu67 1.0 0.45833 0.52788 0.54028 1.0000 + Cu Cu68 1.0 0.45833 0.61121 0.54028 1.0000 + Cu Cu69 1.0 0.45833 0.69454 0.54028 1.0000 + Cu Cu70 1.0 0.45833 0.77788 0.54028 1.0000 + Cu Cu71 1.0 0.45833 0.86121 0.54028 1.0000 + Cu Cu72 1.0 0.45833 0.94454 0.54028 1.0000 + Cu Cu73 1.0 0.54167 0.02788 0.54028 1.0000 + Cu Cu74 1.0 0.54167 0.11121 0.54028 1.0000 + Cu Cu75 1.0 0.54167 0.19454 0.54028 1.0000 + Cu Cu76 1.0 0.54167 0.27788 0.54028 1.0000 + Cu Cu77 1.0 0.54167 0.36121 0.54028 1.0000 + Cu Cu78 1.0 0.54167 0.44454 0.54028 1.0000 + Cu Cu79 1.0 0.54167 0.52788 0.54028 1.0000 + Cu Cu80 1.0 0.54167 0.61121 0.54028 1.0000 + Cu Cu81 1.0 0.54167 0.69454 0.54028 1.0000 + Cu Cu82 1.0 0.54167 0.77788 0.54028 1.0000 + Cu Cu83 1.0 0.54167 0.86121 0.54028 1.0000 + Cu Cu84 1.0 0.54167 0.94454 0.54028 1.0000 + Cu Cu85 1.0 0.62500 0.02788 0.54028 1.0000 + Cu Cu86 1.0 0.62500 0.11121 0.54028 1.0000 + Cu Cu87 1.0 0.62500 0.19454 0.54028 1.0000 + Cu Cu88 1.0 0.62500 0.27788 0.54028 1.0000 + Cu Cu89 1.0 0.62500 0.36121 0.54028 1.0000 + Cu Cu90 1.0 0.62500 0.44454 0.54028 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Ca Ca240 1.0 0.87500 0.96875 0.40018 1.0000 + Ca Ca241 1.0 0.93750 0.03125 0.40018 1.0000 + Ca Ca242 1.0 0.93750 0.09375 0.40018 1.0000 + Ca Ca243 1.0 0.93750 0.15625 0.40018 1.0000 + Ca Ca244 1.0 0.93750 0.21875 0.40018 1.0000 + Ca Ca245 1.0 0.93750 0.28125 0.40018 1.0000 + Ca Ca246 1.0 0.93750 0.34375 0.40018 1.0000 + Ca Ca247 1.0 0.93750 0.40625 0.40018 1.0000 + Ca Ca248 1.0 0.93750 0.46875 0.40018 1.0000 + Ca Ca249 1.0 0.93750 0.53125 0.40018 1.0000 + Ca Ca250 1.0 0.93750 0.59375 0.40018 1.0000 + Ca Ca251 1.0 0.93750 0.65625 0.40018 1.0000 + Ca Ca252 1.0 0.93750 0.71875 0.40018 1.0000 + Ca Ca253 1.0 0.93750 0.78125 0.40018 1.0000 + Ca Ca254 1.0 0.93750 0.84375 0.40018 1.0000 + Ca Ca255 1.0 0.93750 0.90625 0.40018 1.0000 + Ca Ca256 1.0 0.93750 0.96875 0.40018 1.0000 + Sn Sn1 1.0 0.03125 0.00000 0.58711 1.0000 + Sn Sn2 1.0 0.03125 0.06250 0.58711 1.0000 + Sn Sn3 1.0 0.03125 0.12500 0.58711 1.0000 + Sn Sn4 1.0 0.03125 0.18750 0.58711 1.0000 + Sn Sn5 1.0 0.03125 0.25000 0.58711 1.0000 + Sn Sn6 1.0 0.03125 0.31250 0.58711 1.0000 + Sn Sn7 1.0 0.03125 0.37500 0.58711 1.0000 + Sn Sn8 1.0 0.03125 0.43750 0.58711 1.0000 + Sn Sn9 1.0 0.03125 0.50000 0.58711 1.0000 + Sn Sn10 1.0 0.03125 0.56250 0.58711 1.0000 + Sn Sn11 1.0 0.03125 0.62500 0.58711 1.0000 + Sn Sn12 1.0 0.03125 0.68750 0.58711 1.0000 + Sn Sn13 1.0 0.03125 0.75000 0.58711 1.0000 + Sn Sn14 1.0 0.03125 0.81250 0.58711 1.0000 + Sn Sn15 1.0 0.03125 0.87500 0.58711 1.0000 + Sn Sn16 1.0 0.03125 0.93750 0.58711 1.0000 + Sn Sn17 1.0 0.09375 0.00000 0.58711 1.0000 + Sn Sn18 1.0 0.09375 0.06250 0.58711 1.0000 + Sn Sn19 1.0 0.09375 0.12500 0.58711 1.0000 + Sn Sn20 1.0 0.09375 0.18750 0.58711 1.0000 + Sn Sn21 1.0 0.09375 0.25000 0.58711 1.0000 + Sn Sn22 1.0 0.09375 0.31250 0.58711 1.0000 + Sn Sn23 1.0 0.09375 0.37500 0.58711 1.0000 + Sn Sn24 1.0 0.09375 0.43750 0.58711 1.0000 + Sn Sn25 1.0 0.09375 0.50000 0.58711 1.0000 + Sn Sn26 1.0 0.09375 0.56250 0.58711 1.0000 + Sn Sn27 1.0 0.09375 0.62500 0.58711 1.0000 + Sn Sn28 1.0 0.09375 0.68750 0.58711 1.0000 + Sn Sn29 1.0 0.09375 0.75000 0.58711 1.0000 + Sn Sn30 1.0 0.09375 0.81250 0.58711 1.0000 + Sn Sn31 1.0 0.09375 0.87500 0.58711 1.0000 + Sn Sn32 1.0 0.09375 0.93750 0.58711 1.0000 + Sn Sn33 1.0 0.15625 0.00000 0.58711 1.0000 + Sn Sn34 1.0 0.15625 0.06250 0.58711 1.0000 + Sn Sn35 1.0 0.15625 0.12500 0.58711 1.0000 + Sn Sn36 1.0 0.15625 0.18750 0.58711 1.0000 + Sn Sn37 1.0 0.15625 0.25000 0.58711 1.0000 + Sn Sn38 1.0 0.15625 0.31250 0.58711 1.0000 + Sn Sn39 1.0 0.15625 0.37500 0.58711 1.0000 + Sn Sn40 1.0 0.15625 0.43750 0.58711 1.0000 + Sn Sn41 1.0 0.15625 0.50000 0.58711 1.0000 + Sn Sn42 1.0 0.15625 0.56250 0.58711 1.0000 + Sn Sn43 1.0 0.15625 0.62500 0.58711 1.0000 + Sn Sn44 1.0 0.15625 0.68750 0.58711 1.0000 + Sn Sn45 1.0 0.15625 0.75000 0.58711 1.0000 + Sn Sn46 1.0 0.15625 0.81250 0.58711 1.0000 + Sn Sn47 1.0 0.15625 0.87500 0.58711 1.0000 + Sn Sn48 1.0 0.15625 0.93750 0.58711 1.0000 + Sn Sn49 1.0 0.21875 0.00000 0.58711 1.0000 + Sn Sn50 1.0 0.21875 0.06250 0.58711 1.0000 + Sn Sn51 1.0 0.21875 0.12500 0.58711 1.0000 + Sn Sn52 1.0 0.21875 0.18750 0.58711 1.0000 + Sn Sn53 1.0 0.21875 0.25000 0.58711 1.0000 + Sn Sn54 1.0 0.21875 0.31250 0.58711 1.0000 + Sn Sn55 1.0 0.21875 0.37500 0.58711 1.0000 + Sn Sn56 1.0 0.21875 0.43750 0.58711 1.0000 + Sn Sn57 1.0 0.21875 0.50000 0.58711 1.0000 + Sn Sn58 1.0 0.21875 0.56250 0.58711 1.0000 + Sn Sn59 1.0 0.21875 0.62500 0.58711 1.0000 + Sn Sn60 1.0 0.21875 0.68750 0.58711 1.0000 + Sn Sn61 1.0 0.21875 0.75000 0.58711 1.0000 + Sn Sn62 1.0 0.21875 0.81250 0.58711 1.0000 + Sn Sn63 1.0 0.21875 0.87500 0.58711 1.0000 + Sn Sn64 1.0 0.21875 0.93750 0.58711 1.0000 + Sn Sn65 1.0 0.28125 0.00000 0.58711 1.0000 + Sn Sn66 1.0 0.28125 0.06250 0.58711 1.0000 + Sn Sn67 1.0 0.28125 0.12500 0.58711 1.0000 + Sn Sn68 1.0 0.28125 0.18750 0.58711 1.0000 + Sn Sn69 1.0 0.28125 0.25000 0.58711 1.0000 + Sn Sn70 1.0 0.28125 0.31250 0.58711 1.0000 + Sn Sn71 1.0 0.28125 0.37500 0.58711 1.0000 + Sn Sn72 1.0 0.28125 0.43750 0.58711 1.0000 + Sn Sn73 1.0 0.28125 0.50000 0.58711 1.0000 + Sn Sn74 1.0 0.28125 0.56250 0.58711 1.0000 + Sn Sn75 1.0 0.28125 0.62500 0.58711 1.0000 + Sn Sn76 1.0 0.28125 0.68750 0.58711 1.0000 + Sn Sn77 1.0 0.28125 0.75000 0.58711 1.0000 + Sn Sn78 1.0 0.28125 0.81250 0.58711 1.0000 + Sn Sn79 1.0 0.28125 0.87500 0.58711 1.0000 + Sn Sn80 1.0 0.28125 0.93750 0.58711 1.0000 + Sn Sn81 1.0 0.34375 0.00000 0.58711 1.0000 + Sn Sn82 1.0 0.34375 0.06250 0.58711 1.0000 + Sn Sn83 1.0 0.34375 0.12500 0.58711 1.0000 + Sn Sn84 1.0 0.34375 0.18750 0.58711 1.0000 + Sn Sn85 1.0 0.34375 0.25000 0.58711 1.0000 + Sn Sn86 1.0 0.34375 0.31250 0.58711 1.0000 + Sn Sn87 1.0 0.34375 0.37500 0.58711 1.0000 + Sn Sn88 1.0 0.34375 0.43750 0.58711 1.0000 + Sn Sn89 1.0 0.34375 0.50000 0.58711 1.0000 + Sn Sn90 1.0 0.34375 0.56250 0.58711 1.0000 + Sn Sn91 1.0 0.34375 0.62500 0.58711 1.0000 + Sn Sn92 1.0 0.34375 0.68750 0.58711 1.0000 + Sn Sn93 1.0 0.34375 0.75000 0.58711 1.0000 + Sn Sn94 1.0 0.34375 0.81250 0.58711 1.0000 + Sn Sn95 1.0 0.34375 0.87500 0.58711 1.0000 + Sn Sn96 1.0 0.34375 0.93750 0.58711 1.0000 + Sn Sn97 1.0 0.40625 0.00000 0.58711 1.0000 + Sn Sn98 1.0 0.40625 0.06250 0.58711 1.0000 + Sn Sn99 1.0 0.40625 0.12500 0.58711 1.0000 + Sn Sn100 1.0 0.40625 0.18750 0.58711 1.0000 + Sn Sn101 1.0 0.40625 0.25000 0.58711 1.0000 + Sn Sn102 1.0 0.40625 0.31250 0.58711 1.0000 + Sn Sn103 1.0 0.40625 0.37500 0.58711 1.0000 + Sn Sn104 1.0 0.40625 0.43750 0.58711 1.0000 + Sn Sn105 1.0 0.40625 0.50000 0.58711 1.0000 + Sn Sn106 1.0 0.40625 0.56250 0.58711 1.0000 + Sn Sn107 1.0 0.40625 0.62500 0.58711 1.0000 + Sn Sn108 1.0 0.40625 0.68750 0.58711 1.0000 + Sn Sn109 1.0 0.40625 0.75000 0.58711 1.0000 + Sn Sn110 1.0 0.40625 0.81250 0.58711 1.0000 + Sn Sn111 1.0 0.40625 0.87500 0.58711 1.0000 + Sn Sn112 1.0 0.40625 0.93750 0.58711 1.0000 + Sn Sn113 1.0 0.46875 0.00000 0.58711 1.0000 + Sn Sn114 1.0 0.46875 0.06250 0.58711 1.0000 + Sn Sn115 1.0 0.46875 0.12500 0.58711 1.0000 + Sn Sn116 1.0 0.46875 0.18750 0.58711 1.0000 + Sn Sn117 1.0 0.46875 0.25000 0.58711 1.0000 + Sn Sn118 1.0 0.46875 0.31250 0.58711 1.0000 + Sn Sn119 1.0 0.46875 0.37500 0.58711 1.0000 + Sn Sn120 1.0 0.46875 0.43750 0.58711 1.0000 + Sn Sn121 1.0 0.46875 0.50000 0.58711 1.0000 + Sn Sn122 1.0 0.46875 0.56250 0.58711 1.0000 + Sn Sn123 1.0 0.46875 0.62500 0.58711 1.0000 + Sn Sn124 1.0 0.46875 0.68750 0.58711 1.0000 + Sn Sn125 1.0 0.46875 0.75000 0.58711 1.0000 + Sn Sn126 1.0 0.46875 0.81250 0.58711 1.0000 + Sn Sn127 1.0 0.46875 0.87500 0.58711 1.0000 + Sn Sn128 1.0 0.46875 0.93750 0.58711 1.0000 + Sn Sn129 1.0 0.53125 0.00000 0.58711 1.0000 + Sn Sn130 1.0 0.53125 0.06250 0.58711 1.0000 + Sn Sn131 1.0 0.53125 0.12500 0.58711 1.0000 + Sn Sn132 1.0 0.53125 0.18750 0.58711 1.0000 + Sn Sn133 1.0 0.53125 0.25000 0.58711 1.0000 + Sn Sn134 1.0 0.53125 0.31250 0.58711 1.0000 + Sn Sn135 1.0 0.53125 0.37500 0.58711 1.0000 + Sn Sn136 1.0 0.53125 0.43750 0.58711 1.0000 + Sn Sn137 1.0 0.53125 0.50000 0.58711 1.0000 + Sn Sn138 1.0 0.53125 0.56250 0.58711 1.0000 + Sn Sn139 1.0 0.53125 0.62500 0.58711 1.0000 + Sn Sn140 1.0 0.53125 0.68750 0.58711 1.0000 + Sn Sn141 1.0 0.53125 0.75000 0.58711 1.0000 + Sn Sn142 1.0 0.53125 0.81250 0.58711 1.0000 + Sn Sn143 1.0 0.53125 0.87500 0.58711 1.0000 + Sn Sn144 1.0 0.53125 0.93750 0.58711 1.0000 + Sn Sn145 1.0 0.59375 0.00000 0.58711 1.0000 + Sn Sn146 1.0 0.59375 0.06250 0.58711 1.0000 + Sn Sn147 1.0 0.59375 0.12500 0.58711 1.0000 + Sn Sn148 1.0 0.59375 0.18750 0.58711 1.0000 + Sn Sn149 1.0 0.59375 0.25000 0.58711 1.0000 + Sn Sn150 1.0 0.59375 0.31250 0.58711 1.0000 + Sn Sn151 1.0 0.59375 0.37500 0.58711 1.0000 + Sn Sn152 1.0 0.59375 0.43750 0.58711 1.0000 + Sn Sn153 1.0 0.59375 0.50000 0.58711 1.0000 + Sn Sn154 1.0 0.59375 0.56250 0.58711 1.0000 + Sn Sn155 1.0 0.59375 0.62500 0.58711 1.0000 + Sn Sn156 1.0 0.59375 0.68750 0.58711 1.0000 + Sn Sn157 1.0 0.59375 0.75000 0.58711 1.0000 + Sn Sn158 1.0 0.59375 0.81250 0.58711 1.0000 + Sn Sn159 1.0 0.59375 0.87500 0.58711 1.0000 + Sn Sn160 1.0 0.59375 0.93750 0.58711 1.0000 + Sn Sn161 1.0 0.65625 0.00000 0.58711 1.0000 + Sn Sn162 1.0 0.65625 0.06250 0.58711 1.0000 + Sn Sn163 1.0 0.65625 0.12500 0.58711 1.0000 + Sn Sn164 1.0 0.65625 0.18750 0.58711 1.0000 + Sn Sn165 1.0 0.65625 0.25000 0.58711 1.0000 + Sn Sn166 1.0 0.65625 0.31250 0.58711 1.0000 + Sn Sn167 1.0 0.65625 0.37500 0.58711 1.0000 + Sn Sn168 1.0 0.65625 0.43750 0.58711 1.0000 + Sn Sn169 1.0 0.65625 0.50000 0.58711 1.0000 + Sn Sn170 1.0 0.65625 0.56250 0.58711 1.0000 + Sn Sn171 1.0 0.65625 0.62500 0.58711 1.0000 + Sn Sn172 1.0 0.65625 0.68750 0.58711 1.0000 + Sn Sn173 1.0 0.65625 0.75000 0.58711 1.0000 + Sn Sn174 1.0 0.65625 0.81250 0.58711 1.0000 + Sn Sn175 1.0 0.65625 0.87500 0.58711 1.0000 + Sn Sn176 1.0 0.65625 0.93750 0.58711 1.0000 + Sn Sn177 1.0 0.71875 0.00000 0.58711 1.0000 + Sn Sn178 1.0 0.71875 0.06250 0.58711 1.0000 + Sn Sn179 1.0 0.71875 0.12500 0.58711 1.0000 + Sn Sn180 1.0 0.71875 0.18750 0.58711 1.0000 + Sn Sn181 1.0 0.71875 0.25000 0.58711 1.0000 + Sn Sn182 1.0 0.71875 0.31250 0.58711 1.0000 + Sn Sn183 1.0 0.71875 0.37500 0.58711 1.0000 + Sn Sn184 1.0 0.71875 0.43750 0.58711 1.0000 + Sn Sn185 1.0 0.71875 0.50000 0.58711 1.0000 + Sn Sn186 1.0 0.71875 0.56250 0.58711 1.0000 + Sn Sn187 1.0 0.71875 0.62500 0.58711 1.0000 + Sn Sn188 1.0 0.71875 0.68750 0.58711 1.0000 + Sn Sn189 1.0 0.71875 0.75000 0.58711 1.0000 + Sn Sn190 1.0 0.71875 0.81250 0.58711 1.0000 + Sn Sn191 1.0 0.71875 0.87500 0.58711 1.0000 + Sn Sn192 1.0 0.71875 0.93750 0.58711 1.0000 + Sn Sn193 1.0 0.78125 0.00000 0.58711 1.0000 + Sn Sn194 1.0 0.78125 0.06250 0.58711 1.0000 + Sn Sn195 1.0 0.78125 0.12500 0.58711 1.0000 + Sn Sn196 1.0 0.78125 0.18750 0.58711 1.0000 + Sn Sn197 1.0 0.78125 0.25000 0.58711 1.0000 + Sn Sn198 1.0 0.78125 0.31250 0.58711 1.0000 + Sn Sn199 1.0 0.78125 0.37500 0.58711 1.0000 + Sn Sn200 1.0 0.78125 0.43750 0.58711 1.0000 + Sn Sn201 1.0 0.78125 0.50000 0.58711 1.0000 + Sn Sn202 1.0 0.78125 0.56250 0.58711 1.0000 + Sn Sn203 1.0 0.78125 0.62500 0.58711 1.0000 + Sn Sn204 1.0 0.78125 0.68750 0.58711 1.0000 + Sn Sn205 1.0 0.78125 0.75000 0.58711 1.0000 + Sn Sn206 1.0 0.78125 0.81250 0.58711 1.0000 + Sn Sn207 1.0 0.78125 0.87500 0.58711 1.0000 + Sn Sn208 1.0 0.78125 0.93750 0.58711 1.0000 + Sn Sn209 1.0 0.84375 0.00000 0.58711 1.0000 + Sn Sn210 1.0 0.84375 0.06250 0.58711 1.0000 + Sn Sn211 1.0 0.84375 0.12500 0.58711 1.0000 + Sn Sn212 1.0 0.84375 0.18750 0.58711 1.0000 + Sn Sn213 1.0 0.84375 0.25000 0.58711 1.0000 + Sn Sn214 1.0 0.84375 0.31250 0.58711 1.0000 + Sn Sn215 1.0 0.84375 0.37500 0.58711 1.0000 + Sn Sn216 1.0 0.84375 0.43750 0.58711 1.0000 + Sn Sn217 1.0 0.84375 0.50000 0.58711 1.0000 + Sn Sn218 1.0 0.84375 0.56250 0.58711 1.0000 + Sn Sn219 1.0 0.84375 0.62500 0.58711 1.0000 + Sn Sn220 1.0 0.84375 0.68750 0.58711 1.0000 + Sn Sn221 1.0 0.84375 0.75000 0.58711 1.0000 + Sn Sn222 1.0 0.84375 0.81250 0.58711 1.0000 + Sn Sn223 1.0 0.84375 0.87500 0.58711 1.0000 + Sn Sn224 1.0 0.84375 0.93750 0.58711 1.0000 + Sn Sn225 1.0 0.90625 0.00000 0.58711 1.0000 + Sn Sn226 1.0 0.90625 0.06250 0.58711 1.0000 + Sn Sn227 1.0 0.90625 0.12500 0.58711 1.0000 + Sn Sn228 1.0 0.90625 0.18750 0.58711 1.0000 + Sn Sn229 1.0 0.90625 0.25000 0.58711 1.0000 + Sn Sn230 1.0 0.90625 0.31250 0.58711 1.0000 + Sn Sn231 1.0 0.90625 0.37500 0.58711 1.0000 + Sn Sn232 1.0 0.90625 0.43750 0.58711 1.0000 + Sn Sn233 1.0 0.90625 0.50000 0.58711 1.0000 + Sn Sn234 1.0 0.90625 0.56250 0.58711 1.0000 + Sn Sn235 1.0 0.90625 0.62500 0.58711 1.0000 + Sn Sn236 1.0 0.90625 0.68750 0.58711 1.0000 + Sn Sn237 1.0 0.90625 0.75000 0.58711 1.0000 + Sn Sn238 1.0 0.90625 0.81250 0.58711 1.0000 + Sn Sn239 1.0 0.90625 0.87500 0.58711 1.0000 + Sn Sn240 1.0 0.90625 0.93750 0.58711 1.0000 + Sn Sn241 1.0 0.96875 0.00000 0.58711 1.0000 + Sn Sn242 1.0 0.96875 0.06250 0.58711 1.0000 + Sn Sn243 1.0 0.96875 0.12500 0.58711 1.0000 + Sn Sn244 1.0 0.96875 0.18750 0.58711 1.0000 + Sn Sn245 1.0 0.96875 0.25000 0.58711 1.0000 + Sn Sn246 1.0 0.96875 0.31250 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0.92187 0.14062 0.35174 1.0000 + Cd Cd21 1.0 0.89062 0.17187 0.35174 1.0000 + Cd Cd22 1.0 0.85937 0.20312 0.35174 1.0000 + Cd Cd23 1.0 0.82812 0.23438 0.35174 1.0000 + Cd Cd24 1.0 0.79687 0.26562 0.35174 1.0000 + Cd Cd25 1.0 0.76562 0.29687 0.35174 1.0000 + Cd Cd26 1.0 0.73437 0.32812 0.35174 1.0000 + Cd Cd27 1.0 0.70312 0.35937 0.35174 1.0000 + Cd Cd28 1.0 0.67187 0.39063 0.35174 1.0000 + Cd Cd29 1.0 0.64062 0.42188 0.35174 1.0000 + Cd Cd30 1.0 0.60937 0.45312 0.35174 1.0000 + Cd Cd31 1.0 0.57812 0.48438 0.35174 1.0000 + Cd Cd32 1.0 0.54688 0.51562 0.35174 1.0000 + Cd Cd33 1.0 0.04687 0.07812 0.35174 1.0000 + Cd Cd34 1.0 0.01562 0.10938 0.35174 1.0000 + Cd Cd35 1.0 0.98437 0.14063 0.35174 1.0000 + Cd Cd36 1.0 0.95312 0.17187 0.35174 1.0000 + Cd Cd37 1.0 0.92187 0.20312 0.35174 1.0000 + Cd Cd38 1.0 0.89062 0.23437 0.35174 1.0000 + Cd Cd39 1.0 0.85937 0.26562 0.35174 1.0000 + Cd Cd40 1.0 0.82812 0.29687 0.35174 1.0000 + Cd Cd41 1.0 0.79687 0.32812 0.35174 1.0000 + Cd Cd42 1.0 0.76562 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1.0000 + Cd Cd87 1.0 0.95312 0.35938 0.35174 1.0000 + Cd Cd88 1.0 0.92187 0.39062 0.35174 1.0000 + Cd Cd89 1.0 0.89062 0.42188 0.35174 1.0000 + Cd Cd90 1.0 0.85937 0.45312 0.35174 1.0000 + Cd Cd91 1.0 0.82812 0.48437 0.35174 1.0000 + Cd Cd92 1.0 0.79687 0.51562 0.35174 1.0000 + Cd Cd93 1.0 0.76562 0.54688 0.35174 1.0000 + Cd Cd94 1.0 0.73437 0.57812 0.35174 1.0000 + Cd Cd95 1.0 0.70312 0.60937 0.35174 1.0000 + Cd Cd96 1.0 0.67187 0.64062 0.35174 1.0000 + Cd Cd97 1.0 0.17187 0.20312 0.35174 1.0000 + Cd Cd98 1.0 0.14062 0.23437 0.35174 1.0000 + Cd Cd99 1.0 0.10937 0.26562 0.35174 1.0000 + Cd Cd100 1.0 0.07812 0.29687 0.35174 1.0000 + Cd Cd101 1.0 0.04687 0.32812 0.35174 1.0000 + Cd Cd102 1.0 0.01562 0.35937 0.35174 1.0000 + Cd Cd103 1.0 0.98437 0.39062 0.35174 1.0000 + Cd Cd104 1.0 0.95312 0.42188 0.35174 1.0000 + Cd Cd105 1.0 0.92187 0.45312 0.35174 1.0000 + Cd Cd106 1.0 0.89062 0.48437 0.35174 1.0000 + Cd Cd107 1.0 0.85937 0.51562 0.35174 1.0000 + Cd Cd108 1.0 0.82812 0.54688 0.35174 1.0000 + Cd Cd109 1.0 0.79687 0.57812 0.35174 1.0000 + Cd Cd110 1.0 0.76562 0.60937 0.35174 1.0000 + Cd Cd111 1.0 0.73437 0.64062 0.35174 1.0000 + Cd Cd112 1.0 0.70312 0.67187 0.35174 1.0000 + Cd Cd113 1.0 0.20312 0.23438 0.35174 1.0000 + Cd Cd114 1.0 0.17187 0.26562 0.35174 1.0000 + Cd Cd115 1.0 0.14062 0.29687 0.35174 1.0000 + Cd Cd116 1.0 0.10937 0.32812 0.35174 1.0000 + Cd Cd117 1.0 0.07812 0.35938 0.35174 1.0000 + Cd Cd118 1.0 0.04687 0.39062 0.35174 1.0000 + Cd Cd119 1.0 0.01562 0.42188 0.35174 1.0000 + Cd Cd120 1.0 0.98437 0.45312 0.35174 1.0000 + Cd Cd121 1.0 0.95312 0.48437 0.35174 1.0000 + Cd Cd122 1.0 0.92187 0.51562 0.35174 1.0000 + Cd Cd123 1.0 0.89062 0.54688 0.35174 1.0000 + Cd Cd124 1.0 0.85937 0.57812 0.35174 1.0000 + Cd Cd125 1.0 0.82812 0.60937 0.35174 1.0000 + Cd Cd126 1.0 0.79687 0.64062 0.35174 1.0000 + Cd Cd127 1.0 0.76562 0.67187 0.35174 1.0000 + Cd Cd128 1.0 0.73437 0.70312 0.35174 1.0000 + Cd Cd129 1.0 0.23437 0.26562 0.35174 1.0000 + Cd Cd130 1.0 0.20312 0.29687 0.35174 1.0000 + Cd Cd131 1.0 0.17187 0.32812 0.35174 1.0000 + Cd Cd132 1.0 0.14062 0.35938 0.35174 1.0000 + Cd Cd133 1.0 0.10937 0.39062 0.35174 1.0000 + Cd Cd134 1.0 0.07812 0.42188 0.35174 1.0000 + Cd Cd135 1.0 0.04687 0.45312 0.35174 1.0000 + Cd Cd136 1.0 0.01562 0.48438 0.35174 1.0000 + Cd Cd137 1.0 0.98437 0.51562 0.35174 1.0000 + Cd Cd138 1.0 0.95312 0.54688 0.35174 1.0000 + Cd Cd139 1.0 0.92187 0.57812 0.35174 1.0000 + Cd Cd140 1.0 0.89062 0.60937 0.35174 1.0000 + Cd Cd141 1.0 0.85937 0.64062 0.35174 1.0000 + Cd Cd142 1.0 0.82812 0.67187 0.35174 1.0000 + Cd Cd143 1.0 0.79687 0.70313 0.35174 1.0000 + Cd Cd144 1.0 0.76562 0.73438 0.35174 1.0000 + Cd Cd145 1.0 0.26562 0.29688 0.35174 1.0000 + Cd Cd146 1.0 0.23438 0.32812 0.35174 1.0000 + Cd Cd147 1.0 0.20312 0.35938 0.35174 1.0000 + Cd Cd148 1.0 0.17187 0.39063 0.35174 1.0000 + Cd Cd149 1.0 0.14062 0.42188 0.35174 1.0000 + Cd Cd150 1.0 0.10938 0.45312 0.35174 1.0000 + Cd Cd151 1.0 0.07812 0.48438 0.35174 1.0000 + Cd Cd152 1.0 0.04688 0.51562 0.35174 1.0000 + Cd Cd153 1.0 0.01563 0.54688 0.35174 1.0000 + Cd Cd154 1.0 0.98437 0.57812 0.35174 1.0000 + Cd Cd155 1.0 0.95312 0.60937 0.35174 1.0000 + Cd Cd156 1.0 0.92187 0.64062 0.35174 1.0000 + Cd Cd157 1.0 0.89062 0.67187 0.35174 1.0000 + Cd Cd158 1.0 0.85937 0.70312 0.35174 1.0000 + Cd Cd159 1.0 0.82812 0.73438 0.35174 1.0000 + Cd Cd160 1.0 0.79687 0.76562 0.35174 1.0000 + Cd Cd161 1.0 0.29687 0.32812 0.35174 1.0000 + Cd Cd162 1.0 0.26562 0.35938 0.35174 1.0000 + Cd Cd163 1.0 0.23438 0.39062 0.35174 1.0000 + Cd Cd164 1.0 0.20312 0.42188 0.35174 1.0000 + Cd Cd165 1.0 0.17188 0.45312 0.35174 1.0000 + Cd Cd166 1.0 0.14063 0.48437 0.35174 1.0000 + Cd Cd167 1.0 0.10938 0.51563 0.35174 1.0000 + Cd Cd168 1.0 0.07813 0.54688 0.35174 1.0000 + Cd Cd169 1.0 0.04688 0.57813 0.35174 1.0000 + Cd Cd170 1.0 0.01563 0.60937 0.35174 1.0000 + Cd Cd171 1.0 0.98437 0.64062 0.35174 1.0000 + Cd Cd172 1.0 0.95312 0.67188 0.35174 1.0000 + Cd Cd173 1.0 0.92187 0.70313 0.35174 1.0000 + Cd Cd174 1.0 0.89062 0.73438 0.35174 1.0000 + Cd Cd175 1.0 0.85937 0.76562 0.35174 1.0000 + Cd Cd176 1.0 0.82812 0.79687 0.35174 1.0000 + Cd Cd177 1.0 0.32812 0.35938 0.35174 1.0000 + Cd Cd178 1.0 0.29687 0.39062 0.35174 1.0000 + Cd Cd179 1.0 0.26562 0.42188 0.35174 1.0000 + Cd Cd180 1.0 0.23437 0.45312 0.35174 1.0000 + Cd Cd181 1.0 0.20312 0.48437 0.35174 1.0000 + Cd Cd182 1.0 0.17187 0.51562 0.35174 1.0000 + Cd Cd183 1.0 0.14062 0.54688 0.35174 1.0000 + Cd Cd184 1.0 0.10938 0.57812 0.35174 1.0000 + Cd Cd185 1.0 0.07813 0.60937 0.35174 1.0000 + Cd Cd186 1.0 0.04687 0.64062 0.35174 1.0000 + Cd Cd187 1.0 0.01562 0.67188 0.35174 1.0000 + Cd Cd188 1.0 0.98437 0.70312 0.35174 1.0000 + Cd Cd189 1.0 0.95312 0.73438 0.35174 1.0000 + Cd Cd190 1.0 0.92187 0.76562 0.35174 1.0000 + Cd Cd191 1.0 0.89062 0.79687 0.35174 1.0000 + Cd Cd192 1.0 0.85937 0.82813 0.35174 1.0000 + Cd Cd193 1.0 0.35937 0.39062 0.35174 1.0000 + Cd Cd194 1.0 0.32812 0.42188 0.35174 1.0000 + Cd Cd195 1.0 0.29687 0.45312 0.35174 1.0000 + Cd Cd196 1.0 0.26562 0.48437 0.35174 1.0000 + Cd Cd197 1.0 0.23437 0.51562 0.35174 1.0000 + Cd Cd198 1.0 0.20312 0.54688 0.35174 1.0000 + Cd Cd199 1.0 0.17187 0.57812 0.35174 1.0000 + Cd Cd200 1.0 0.14062 0.60937 0.35174 1.0000 + Cd Cd201 1.0 0.10937 0.64062 0.35174 1.0000 + Cd Cd202 1.0 0.07812 0.67188 0.35174 1.0000 + Cd Cd203 1.0 0.04688 0.70312 0.35174 1.0000 + Cd Cd204 1.0 0.01562 0.73438 0.35174 1.0000 + Cd Cd205 1.0 0.98437 0.76562 0.35174 1.0000 + Cd Cd206 1.0 0.95312 0.79687 0.35174 1.0000 + Cd Cd207 1.0 0.92187 0.82813 0.35174 1.0000 + Cd Cd208 1.0 0.89062 0.85937 0.35174 1.0000 + Cd Cd209 1.0 0.39062 0.42188 0.35174 1.0000 + Cd Cd210 1.0 0.35938 0.45312 0.35174 1.0000 + Cd Cd211 1.0 0.32813 0.48438 0.35174 1.0000 + Cd Cd212 1.0 0.29687 0.51562 0.35174 1.0000 + Cd Cd213 1.0 0.26562 0.54688 0.35174 1.0000 + Cd Cd214 1.0 0.23438 0.57813 0.35174 1.0000 + Cd Cd215 1.0 0.20312 0.60938 0.35174 1.0000 + Cd Cd216 1.0 0.17188 0.64062 0.35174 1.0000 + Cd Cd217 1.0 0.14062 0.67188 0.35174 1.0000 + Cd Cd218 1.0 0.10938 0.70313 0.35174 1.0000 + Cd Cd219 1.0 0.07813 0.73438 0.35174 1.0000 + Cd Cd220 1.0 0.04688 0.76562 0.35174 1.0000 + Cd Cd221 1.0 0.01563 0.79687 0.35174 1.0000 + Cd Cd222 1.0 0.98437 0.82813 0.35174 1.0000 + Cd Cd223 1.0 0.95312 0.85938 0.35174 1.0000 + Cd Cd224 1.0 0.92187 0.89063 0.35174 1.0000 + Cd Cd225 1.0 0.42187 0.45312 0.35174 1.0000 + Cd Cd226 1.0 0.39062 0.48437 0.35174 1.0000 + Cd Cd227 1.0 0.35937 0.51562 0.35174 1.0000 + Cd Cd228 1.0 0.32812 0.54688 0.35174 1.0000 + Cd Cd229 1.0 0.29687 0.57812 0.35174 1.0000 + Cd Cd230 1.0 0.26562 0.60937 0.35174 1.0000 + Cd Cd231 1.0 0.23438 0.64063 0.35174 1.0000 + Cd Cd232 1.0 0.20312 0.67188 0.35174 1.0000 + Cd Cd233 1.0 0.17187 0.70312 0.35174 1.0000 + Cd Cd234 1.0 0.14062 0.73438 0.35174 1.0000 + Cd Cd235 1.0 0.10937 0.76562 0.35174 1.0000 + Cd Cd236 1.0 0.07813 0.79687 0.35174 1.0000 + Cd Cd237 1.0 0.04688 0.82813 0.35174 1.0000 + Cd Cd238 1.0 0.01562 0.85938 0.35174 1.0000 + Cd Cd239 1.0 0.98437 0.89063 0.35174 1.0000 + Cd Cd240 1.0 0.95312 0.92187 0.35174 1.0000 + Cd Cd241 1.0 0.45312 0.48437 0.35174 1.0000 + Cd Cd242 1.0 0.42187 0.51562 0.35174 1.0000 + Cd Cd243 1.0 0.39062 0.54688 0.35174 1.0000 + Cd Cd244 1.0 0.35938 0.57812 0.35174 1.0000 + Cd Cd245 1.0 0.32813 0.60937 0.35174 1.0000 + Cd Cd246 1.0 0.29687 0.64062 0.35174 1.0000 + Cd Cd247 1.0 0.26562 0.67188 0.35174 1.0000 + Cd Cd248 1.0 0.23438 0.70313 0.35174 1.0000 + Cd Cd249 1.0 0.20312 0.73438 0.35174 1.0000 + Cd Cd250 1.0 0.17187 0.76562 0.35174 1.0000 + Cd Cd251 1.0 0.14063 0.79687 0.35174 1.0000 + Cd Cd252 1.0 0.10938 0.82813 0.35174 1.0000 + Cd Cd253 1.0 0.07813 0.85937 0.35174 1.0000 + Cd Cd254 1.0 0.04688 0.89063 0.35174 1.0000 + Cd Cd255 1.0 0.01563 0.92188 0.35174 1.0000 + Cd Cd256 1.0 0.98437 0.95312 0.35174 1.0000 + Cd Cd257 1.0 0.00000 0.03125 0.64826 1.0000 + Cd Cd258 1.0 0.96875 0.06250 0.64826 1.0000 + Cd Cd259 1.0 0.93750 0.09375 0.64826 1.0000 + Cd Cd260 1.0 0.90625 0.12500 0.64826 1.0000 + Cd Cd261 1.0 0.87500 0.15625 0.64826 1.0000 + Cd Cd262 1.0 0.84375 0.18750 0.64826 1.0000 + Cd Cd263 1.0 0.81250 0.21875 0.64826 1.0000 + Cd Cd264 1.0 0.78125 0.25000 0.64826 1.0000 + Cd Cd265 1.0 0.75000 0.28125 0.64826 1.0000 + Cd Cd266 1.0 0.71875 0.31250 0.64826 1.0000 + Cd Cd267 1.0 0.68750 0.34375 0.64826 1.0000 + Cd Cd268 1.0 0.65625 0.37500 0.64826 1.0000 + Cd Cd269 1.0 0.62500 0.40625 0.64826 1.0000 + Cd Cd270 1.0 0.59375 0.43750 0.64826 1.0000 + Cd Cd271 1.0 0.56250 0.46875 0.64826 1.0000 + Cd Cd272 1.0 0.53125 0.50000 0.64826 1.0000 + Cd Cd273 1.0 0.03125 0.06250 0.64826 1.0000 + Cd Cd274 1.0 0.00000 0.09375 0.64826 1.0000 + Cd Cd275 1.0 0.96875 0.12500 0.64826 1.0000 + Cd Cd276 1.0 0.93750 0.15625 0.64826 1.0000 + Cd Cd277 1.0 0.90625 0.18750 0.64826 1.0000 + Cd Cd278 1.0 0.87500 0.21875 0.64826 1.0000 + Cd Cd279 1.0 0.84375 0.25000 0.64826 1.0000 + Cd Cd280 1.0 0.81250 0.28125 0.64826 1.0000 + Cd Cd281 1.0 0.78125 0.31250 0.64826 1.0000 + Cd Cd282 1.0 0.75000 0.34375 0.64826 1.0000 + Cd Cd283 1.0 0.71875 0.37500 0.64826 1.0000 + Cd Cd284 1.0 0.68750 0.40625 0.64826 1.0000 + Cd Cd285 1.0 0.65625 0.43750 0.64826 1.0000 + Cd Cd286 1.0 0.62500 0.46875 0.64826 1.0000 + Cd Cd287 1.0 0.59375 0.50000 0.64826 1.0000 + Cd Cd288 1.0 0.56250 0.53125 0.64826 1.0000 + Cd Cd289 1.0 0.06250 0.09375 0.64826 1.0000 + Cd Cd290 1.0 0.03125 0.12500 0.64826 1.0000 + Cd Cd291 1.0 0.00000 0.15625 0.64826 1.0000 + Cd Cd292 1.0 0.96875 0.18750 0.64826 1.0000 + Cd Cd293 1.0 0.93750 0.21875 0.64826 1.0000 + Cd Cd294 1.0 0.90625 0.25000 0.64826 1.0000 + Cd Cd295 1.0 0.87500 0.28125 0.64826 1.0000 + Cd Cd296 1.0 0.84375 0.31250 0.64826 1.0000 + Cd Cd297 1.0 0.81250 0.34375 0.64826 1.0000 + Cd Cd298 1.0 0.78125 0.37500 0.64826 1.0000 + Cd Cd299 1.0 0.75000 0.40625 0.64826 1.0000 + Cd Cd300 1.0 0.71875 0.43750 0.64826 1.0000 + Cd Cd301 1.0 0.68750 0.46875 0.64826 1.0000 + Cd Cd302 1.0 0.65625 0.50000 0.64826 1.0000 + Cd Cd303 1.0 0.62500 0.53125 0.64826 1.0000 + Cd Cd304 1.0 0.59375 0.56250 0.64826 1.0000 + Cd Cd305 1.0 0.09375 0.12500 0.64826 1.0000 + Cd Cd306 1.0 0.06250 0.15625 0.64826 1.0000 + Cd Cd307 1.0 0.03125 0.18750 0.64826 1.0000 + Cd Cd308 1.0 0.00000 0.21875 0.64826 1.0000 + Cd Cd309 1.0 0.96875 0.25000 0.64826 1.0000 + Cd Cd310 1.0 0.93750 0.28125 0.64826 1.0000 + Cd Cd311 1.0 0.90625 0.31250 0.64826 1.0000 + Cd Cd312 1.0 0.87500 0.34375 0.64826 1.0000 + Cd Cd313 1.0 0.84375 0.37500 0.64826 1.0000 + Cd Cd314 1.0 0.81250 0.40625 0.64826 1.0000 + Cd Cd315 1.0 0.78125 0.43750 0.64826 1.0000 + Cd Cd316 1.0 0.75000 0.46875 0.64826 1.0000 + Cd Cd317 1.0 0.71875 0.50000 0.64826 1.0000 + Cd Cd318 1.0 0.68750 0.53125 0.64826 1.0000 + Cd Cd319 1.0 0.65625 0.56250 0.64826 1.0000 + Cd Cd320 1.0 0.62500 0.59375 0.64826 1.0000 + Cd Cd321 1.0 0.12500 0.15625 0.64826 1.0000 + Cd Cd322 1.0 0.09375 0.18750 0.64826 1.0000 + Cd Cd323 1.0 0.06250 0.21875 0.64826 1.0000 + Cd Cd324 1.0 0.03125 0.25000 0.64826 1.0000 + Cd Cd325 1.0 0.00000 0.28125 0.64826 1.0000 + Cd Cd326 1.0 0.96875 0.31250 0.64826 1.0000 + Cd Cd327 1.0 0.93750 0.34375 0.64826 1.0000 + Cd Cd328 1.0 0.90625 0.37500 0.64826 1.0000 + Cd Cd329 1.0 0.87500 0.40625 0.64826 1.0000 + Cd Cd330 1.0 0.84375 0.43750 0.64826 1.0000 + Cd Cd331 1.0 0.81250 0.46875 0.64826 1.0000 + Cd Cd332 1.0 0.78125 0.50000 0.64826 1.0000 + Cd Cd333 1.0 0.75000 0.53125 0.64826 1.0000 + Cd Cd334 1.0 0.71875 0.56250 0.64826 1.0000 + Cd Cd335 1.0 0.68750 0.59375 0.64826 1.0000 + Cd Cd336 1.0 0.65625 0.62500 0.64826 1.0000 + Cd Cd337 1.0 0.15625 0.18750 0.64826 1.0000 + Cd Cd338 1.0 0.12500 0.21875 0.64826 1.0000 + Cd Cd339 1.0 0.09375 0.25000 0.64826 1.0000 + Cd Cd340 1.0 0.06250 0.28125 0.64826 1.0000 + Cd Cd341 1.0 0.03125 0.31250 0.64826 1.0000 + Cd Cd342 1.0 0.00000 0.34375 0.64826 1.0000 + Cd Cd343 1.0 0.96875 0.37500 0.64826 1.0000 + Cd Cd344 1.0 0.93750 0.40625 0.64826 1.0000 + Cd Cd345 1.0 0.90625 0.43750 0.64826 1.0000 + Cd Cd346 1.0 0.87500 0.46875 0.64826 1.0000 + Cd Cd347 1.0 0.84375 0.50000 0.64826 1.0000 + Cd Cd348 1.0 0.81250 0.53125 0.64826 1.0000 + Cd Cd349 1.0 0.78125 0.56250 0.64826 1.0000 + Cd Cd350 1.0 0.75000 0.59375 0.64826 1.0000 + Cd Cd351 1.0 0.71875 0.62500 0.64826 1.0000 + Cd Cd352 1.0 0.68750 0.65625 0.64826 1.0000 + Cd Cd353 1.0 0.18750 0.21875 0.64826 1.0000 + Cd Cd354 1.0 0.15625 0.25000 0.64826 1.0000 + Cd Cd355 1.0 0.12500 0.28125 0.64826 1.0000 + Cd Cd356 1.0 0.09375 0.31250 0.64826 1.0000 + Cd Cd357 1.0 0.06250 0.34375 0.64826 1.0000 + Cd Cd358 1.0 0.03125 0.37500 0.64826 1.0000 + Cd Cd359 1.0 0.00000 0.40625 0.64826 1.0000 + Cd Cd360 1.0 0.96875 0.43750 0.64826 1.0000 + Cd Cd361 1.0 0.93750 0.46875 0.64826 1.0000 + Cd Cd362 1.0 0.90625 0.50000 0.64826 1.0000 + Cd Cd363 1.0 0.87500 0.53125 0.64826 1.0000 + Cd Cd364 1.0 0.84375 0.56250 0.64826 1.0000 + Cd Cd365 1.0 0.81250 0.59375 0.64826 1.0000 + Cd Cd366 1.0 0.78125 0.62500 0.64826 1.0000 + Cd Cd367 1.0 0.75000 0.65625 0.64826 1.0000 + Cd Cd368 1.0 0.71875 0.68750 0.64826 1.0000 + Cd Cd369 1.0 0.21875 0.25000 0.64826 1.0000 + Cd Cd370 1.0 0.18750 0.28125 0.64826 1.0000 + Cd Cd371 1.0 0.15625 0.31250 0.64826 1.0000 + Cd Cd372 1.0 0.12500 0.34375 0.64826 1.0000 + Cd Cd373 1.0 0.09375 0.37500 0.64826 1.0000 + Cd Cd374 1.0 0.06250 0.40625 0.64826 1.0000 + Cd Cd375 1.0 0.03125 0.43750 0.64826 1.0000 + Cd Cd376 1.0 0.00000 0.46875 0.64826 1.0000 + Cd Cd377 1.0 0.96875 0.50000 0.64826 1.0000 + Cd Cd378 1.0 0.93750 0.53125 0.64826 1.0000 + Cd Cd379 1.0 0.90625 0.56250 0.64826 1.0000 + Cd Cd380 1.0 0.87500 0.59375 0.64826 1.0000 + Cd Cd381 1.0 0.84375 0.62500 0.64826 1.0000 + Cd Cd382 1.0 0.81250 0.65625 0.64826 1.0000 + Cd Cd383 1.0 0.78125 0.68750 0.64826 1.0000 + Cd Cd384 1.0 0.75000 0.71875 0.64826 1.0000 + Cd Cd385 1.0 0.25000 0.28125 0.64826 1.0000 + Cd Cd386 1.0 0.21875 0.31250 0.64826 1.0000 + Cd Cd387 1.0 0.18750 0.34375 0.64826 1.0000 + Cd Cd388 1.0 0.15625 0.37500 0.64826 1.0000 + Cd Cd389 1.0 0.12500 0.40625 0.64826 1.0000 + Cd Cd390 1.0 0.09375 0.43750 0.64826 1.0000 + Cd Cd391 1.0 0.06250 0.46875 0.64826 1.0000 + Cd Cd392 1.0 0.03125 0.50000 0.64826 1.0000 + Cd Cd393 1.0 0.00000 0.53125 0.64826 1.0000 + Cd Cd394 1.0 0.96875 0.56250 0.64826 1.0000 + Cd Cd395 1.0 0.93750 0.59375 0.64826 1.0000 + Cd Cd396 1.0 0.90625 0.62500 0.64826 1.0000 + Cd Cd397 1.0 0.87500 0.65625 0.64826 1.0000 + Cd Cd398 1.0 0.84375 0.68750 0.64826 1.0000 + Cd Cd399 1.0 0.81250 0.71875 0.64826 1.0000 + Cd Cd400 1.0 0.78125 0.75000 0.64826 1.0000 + Cd Cd401 1.0 0.28125 0.31250 0.64826 1.0000 + Cd Cd402 1.0 0.25000 0.34375 0.64826 1.0000 + Cd Cd403 1.0 0.21875 0.37500 0.64826 1.0000 + Cd Cd404 1.0 0.18750 0.40625 0.64826 1.0000 + Cd Cd405 1.0 0.15625 0.43750 0.64826 1.0000 + Cd Cd406 1.0 0.12500 0.46875 0.64826 1.0000 + Cd Cd407 1.0 0.09375 0.50000 0.64826 1.0000 + Cd Cd408 1.0 0.06250 0.53125 0.64826 1.0000 + Cd Cd409 1.0 0.03125 0.56250 0.64826 1.0000 + Cd Cd410 1.0 0.00000 0.59375 0.64826 1.0000 + Cd Cd411 1.0 0.96875 0.62500 0.64826 1.0000 + Cd Cd412 1.0 0.93750 0.65625 0.64826 1.0000 + Cd Cd413 1.0 0.90625 0.68750 0.64826 1.0000 + Cd Cd414 1.0 0.87500 0.71875 0.64826 1.0000 + Cd Cd415 1.0 0.84375 0.75000 0.64826 1.0000 + Cd Cd416 1.0 0.81250 0.78125 0.64826 1.0000 + Cd Cd417 1.0 0.31250 0.34375 0.64826 1.0000 + Cd Cd418 1.0 0.28125 0.37500 0.64826 1.0000 + Cd Cd419 1.0 0.25000 0.40625 0.64826 1.0000 + Cd Cd420 1.0 0.21875 0.43750 0.64826 1.0000 + Cd Cd421 1.0 0.18750 0.46875 0.64826 1.0000 + Cd Cd422 1.0 0.15625 0.50000 0.64826 1.0000 + Cd Cd423 1.0 0.12500 0.53125 0.64826 1.0000 + Cd Cd424 1.0 0.09375 0.56250 0.64826 1.0000 + Cd Cd425 1.0 0.06250 0.59375 0.64826 1.0000 + Cd Cd426 1.0 0.03125 0.62500 0.64826 1.0000 + Cd Cd427 1.0 0.00000 0.65625 0.64826 1.0000 + Cd Cd428 1.0 0.96875 0.68750 0.64826 1.0000 + Cd Cd429 1.0 0.93750 0.71875 0.64826 1.0000 + Cd Cd430 1.0 0.90625 0.75000 0.64826 1.0000 + Cd Cd431 1.0 0.87500 0.78125 0.64826 1.0000 + Cd Cd432 1.0 0.84375 0.81250 0.64826 1.0000 + Cd Cd433 1.0 0.34375 0.37500 0.64826 1.0000 + Cd Cd434 1.0 0.31250 0.40625 0.64826 1.0000 + Cd Cd435 1.0 0.28125 0.43750 0.64826 1.0000 + Cd Cd436 1.0 0.25000 0.46875 0.64826 1.0000 + Cd Cd437 1.0 0.21875 0.50000 0.64826 1.0000 + Cd Cd438 1.0 0.18750 0.53125 0.64826 1.0000 + Cd Cd439 1.0 0.15625 0.56250 0.64826 1.0000 + Cd Cd440 1.0 0.12500 0.59375 0.64826 1.0000 + Cd Cd441 1.0 0.09375 0.62500 0.64826 1.0000 + Cd Cd442 1.0 0.06250 0.65625 0.64826 1.0000 + Cd Cd443 1.0 0.03125 0.68750 0.64826 1.0000 + Cd Cd444 1.0 0.00000 0.71875 0.64826 1.0000 + Cd Cd445 1.0 0.96875 0.75000 0.64826 1.0000 + Cd Cd446 1.0 0.93750 0.78125 0.64826 1.0000 + Cd Cd447 1.0 0.90625 0.81250 0.64826 1.0000 + Cd Cd448 1.0 0.87500 0.84375 0.64826 1.0000 + Cd Cd449 1.0 0.37500 0.40625 0.64826 1.0000 + Cd Cd450 1.0 0.34375 0.43750 0.64826 1.0000 + Cd Cd451 1.0 0.31250 0.46875 0.64826 1.0000 + Cd Cd452 1.0 0.28125 0.50000 0.64826 1.0000 + Cd Cd453 1.0 0.25000 0.53125 0.64826 1.0000 + Cd Cd454 1.0 0.21875 0.56250 0.64826 1.0000 + Cd Cd455 1.0 0.18750 0.59375 0.64826 1.0000 + Cd Cd456 1.0 0.15625 0.62500 0.64826 1.0000 + Cd Cd457 1.0 0.12500 0.65625 0.64826 1.0000 + Cd Cd458 1.0 0.09375 0.68750 0.64826 1.0000 + Cd Cd459 1.0 0.06250 0.71875 0.64826 1.0000 + Cd Cd460 1.0 0.03125 0.75000 0.64826 1.0000 + Cd Cd461 1.0 0.00000 0.78125 0.64826 1.0000 + Cd Cd462 1.0 0.96875 0.81250 0.64826 1.0000 + Cd Cd463 1.0 0.93750 0.84375 0.64826 1.0000 + Cd Cd464 1.0 0.90625 0.87500 0.64826 1.0000 + Cd Cd465 1.0 0.40625 0.43750 0.64826 1.0000 + Cd Cd466 1.0 0.37500 0.46875 0.64826 1.0000 + Cd Cd467 1.0 0.34375 0.50000 0.64826 1.0000 + Cd Cd468 1.0 0.31250 0.53125 0.64826 1.0000 + Cd Cd469 1.0 0.28125 0.56250 0.64826 1.0000 + Cd Cd470 1.0 0.25000 0.59375 0.64826 1.0000 + Cd Cd471 1.0 0.21875 0.62500 0.64826 1.0000 + Cd Cd472 1.0 0.18750 0.65625 0.64826 1.0000 + Cd Cd473 1.0 0.15625 0.68750 0.64826 1.0000 + Cd Cd474 1.0 0.12500 0.71875 0.64826 1.0000 + Cd Cd475 1.0 0.09375 0.75000 0.64826 1.0000 + Cd Cd476 1.0 0.06250 0.78125 0.64826 1.0000 + Cd Cd477 1.0 0.03125 0.81250 0.64826 1.0000 + Cd Cd478 1.0 0.00000 0.84375 0.64826 1.0000 + Cd Cd479 1.0 0.96875 0.87500 0.64826 1.0000 + Cd Cd480 1.0 0.93750 0.90625 0.64826 1.0000 + Cd Cd481 1.0 0.43750 0.46875 0.64826 1.0000 + Cd Cd482 1.0 0.40625 0.50000 0.64826 1.0000 + Cd Cd483 1.0 0.37500 0.53125 0.64826 1.0000 + Cd Cd484 1.0 0.34375 0.56250 0.64826 1.0000 + Cd Cd485 1.0 0.31250 0.59375 0.64826 1.0000 + Cd Cd486 1.0 0.28125 0.62500 0.64826 1.0000 + Cd Cd487 1.0 0.25000 0.65625 0.64826 1.0000 + Cd Cd488 1.0 0.21875 0.68750 0.64826 1.0000 + Cd Cd489 1.0 0.18750 0.71875 0.64826 1.0000 + Cd Cd490 1.0 0.15625 0.75000 0.64826 1.0000 + Cd Cd491 1.0 0.12500 0.78125 0.64826 1.0000 + Cd Cd492 1.0 0.09375 0.81250 0.64826 1.0000 + Cd Cd493 1.0 0.06250 0.84375 0.64826 1.0000 + Cd Cd494 1.0 0.03125 0.87500 0.64826 1.0000 + Cd Cd495 1.0 0.00000 0.90625 0.64826 1.0000 + Cd Cd496 1.0 0.96875 0.93750 0.64826 1.0000 + Cd Cd497 1.0 0.46875 0.50000 0.64826 1.0000 + Cd Cd498 1.0 0.43750 0.53125 0.64826 1.0000 + Cd Cd499 1.0 0.40625 0.56250 0.64826 1.0000 + Cd Cd500 1.0 0.37500 0.59375 0.64826 1.0000 + Cd Cd501 1.0 0.34375 0.62500 0.64826 1.0000 + Cd Cd502 1.0 0.31250 0.65625 0.64826 1.0000 + Cd Cd503 1.0 0.28125 0.68750 0.64826 1.0000 + Cd Cd504 1.0 0.25000 0.71875 0.64826 1.0000 + Cd Cd505 1.0 0.21875 0.75000 0.64826 1.0000 + Cd Cd506 1.0 0.18750 0.78125 0.64826 1.0000 + Cd Cd507 1.0 0.15625 0.81250 0.64826 1.0000 + Cd Cd508 1.0 0.12500 0.84375 0.64826 1.0000 + Cd Cd509 1.0 0.09375 0.87500 0.64826 1.0000 + Cd Cd510 1.0 0.06250 0.90625 0.64826 1.0000 + Cd Cd511 1.0 0.03125 0.93750 0.64826 1.0000 + Cd Cd512 1.0 0.00000 0.96875 0.64826 1.0000 + Si Si1 1.0 0.00000 0.00000 0.50000 1.0000 + Si Si2 1.0 0.96875 0.03125 0.50000 1.0000 + Si Si3 1.0 0.93750 0.06250 0.50000 1.0000 + Si Si4 1.0 0.90625 0.09375 0.50000 1.0000 + Si Si5 1.0 0.87500 0.12500 0.50000 1.0000 + Si Si6 1.0 0.84375 0.15625 0.50000 1.0000 + Si Si7 1.0 0.81250 0.18750 0.50000 1.0000 + Si Si8 1.0 0.78125 0.21875 0.50000 1.0000 + Si 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0.66738 1.0000 + O O1016 1.0 0.25204 0.69984 0.66738 1.0000 + O O1017 1.0 0.22079 0.73109 0.66738 1.0000 + O O1018 1.0 0.18954 0.76234 0.66738 1.0000 + O O1019 1.0 0.15829 0.79359 0.66738 1.0000 + O O1020 1.0 0.12704 0.82484 0.66738 1.0000 + O O1021 1.0 0.09579 0.85609 0.66738 1.0000 + O O1022 1.0 0.06454 0.88734 0.66738 1.0000 + O O1023 1.0 0.03329 0.91859 0.66738 1.0000 + O O1024 1.0 0.00204 0.94984 0.66738 1.0000 + Cd Cd513 1.0 0.48437 0.51562 0.35174 1.0000 + Cd Cd514 1.0 0.45312 0.54688 0.35174 1.0000 + Cd Cd515 1.0 0.42188 0.57812 0.35174 1.0000 + Cd Cd516 1.0 0.39062 0.60937 0.35174 1.0000 + Cd Cd517 1.0 0.35937 0.64062 0.35174 1.0000 + Cd Cd518 1.0 0.32812 0.67188 0.35174 1.0000 + Cd Cd519 1.0 0.29687 0.70313 0.35174 1.0000 + Cd Cd520 1.0 0.26562 0.73438 0.35174 1.0000 + Cd Cd521 1.0 0.23437 0.76562 0.35174 1.0000 + Cd Cd522 1.0 0.20312 0.79687 0.35174 1.0000 + Cd Cd523 1.0 0.17187 0.82813 0.35174 1.0000 + Cd Cd524 1.0 0.14062 0.85938 0.35174 1.0000 + Cd Cd525 1.0 0.10938 0.89063 0.35174 1.0000 + Cd Cd526 1.0 0.07812 0.92188 0.35174 1.0000 + Cd Cd527 1.0 0.04688 0.95312 0.35174 1.0000 + Cd Cd528 1.0 0.01563 0.98438 0.35174 1.0000 + Cd Cd529 1.0 0.51562 0.54688 0.35174 1.0000 + Cd Cd530 1.0 0.48437 0.57812 0.35174 1.0000 + Cd Cd531 1.0 0.45312 0.60937 0.35174 1.0000 + Cd Cd532 1.0 0.42187 0.64062 0.35174 1.0000 + Cd Cd533 1.0 0.39062 0.67188 0.35174 1.0000 + Cd Cd534 1.0 0.35938 0.70313 0.35174 1.0000 + Cd Cd535 1.0 0.32812 0.73438 0.35174 1.0000 + Cd Cd536 1.0 0.29687 0.76562 0.35174 1.0000 + Cd Cd537 1.0 0.26562 0.79687 0.35174 1.0000 + Cd Cd538 1.0 0.23438 0.82813 0.35174 1.0000 + Cd Cd539 1.0 0.20312 0.85938 0.35174 1.0000 + Cd Cd540 1.0 0.17187 0.89063 0.35174 1.0000 + Cd Cd541 1.0 0.14062 0.92187 0.35174 1.0000 + Cd Cd542 1.0 0.10937 0.95312 0.35174 1.0000 + Cd Cd543 1.0 0.07812 0.98438 0.35174 1.0000 + Cd Cd544 1.0 0.04687 0.01563 0.35174 1.0000 + Cd Cd545 1.0 0.54688 0.57812 0.35174 1.0000 + Cd Cd546 1.0 0.51562 0.60938 0.35174 1.0000 + Cd Cd547 1.0 0.48437 0.64062 0.35174 1.0000 + Cd Cd548 1.0 0.45312 0.67188 0.35174 1.0000 + Cd Cd549 1.0 0.42187 0.70312 0.35174 1.0000 + Cd Cd550 1.0 0.39062 0.73438 0.35174 1.0000 + Cd Cd551 1.0 0.35937 0.76562 0.35174 1.0000 + Cd Cd552 1.0 0.32813 0.79687 0.35174 1.0000 + Cd Cd553 1.0 0.29687 0.82813 0.35174 1.0000 + Cd Cd554 1.0 0.26562 0.85938 0.35174 1.0000 + Cd Cd555 1.0 0.23437 0.89063 0.35174 1.0000 + Cd Cd556 1.0 0.20312 0.92187 0.35174 1.0000 + Cd Cd557 1.0 0.17187 0.95312 0.35174 1.0000 + Cd Cd558 1.0 0.14062 0.98438 0.35174 1.0000 + Cd Cd559 1.0 0.10937 0.01563 0.35174 1.0000 + Cd Cd560 1.0 0.07813 0.04688 0.35174 1.0000 + Cd Cd561 1.0 0.57812 0.60938 0.35174 1.0000 + Cd Cd562 1.0 0.54687 0.64062 0.35174 1.0000 + Cd Cd563 1.0 0.51562 0.67188 0.35174 1.0000 + Cd Cd564 1.0 0.48437 0.70312 0.35174 1.0000 + Cd Cd565 1.0 0.45312 0.73438 0.35174 1.0000 + Cd Cd566 1.0 0.42187 0.76562 0.35174 1.0000 + Cd Cd567 1.0 0.39062 0.79687 0.35174 1.0000 + Cd Cd568 1.0 0.35938 0.82813 0.35174 1.0000 + Cd Cd569 1.0 0.32812 0.85937 0.35174 1.0000 + Cd Cd570 1.0 0.29687 0.89063 0.35174 1.0000 + Cd Cd571 1.0 0.26562 0.92187 0.35174 1.0000 + Cd Cd572 1.0 0.23438 0.95312 0.35174 1.0000 + Cd Cd573 1.0 0.20312 0.98438 0.35174 1.0000 + Cd Cd574 1.0 0.17187 0.01563 0.35174 1.0000 + Cd Cd575 1.0 0.14062 0.04687 0.35174 1.0000 + Cd Cd576 1.0 0.10937 0.07813 0.35174 1.0000 + Cd Cd577 1.0 0.60937 0.64062 0.35174 1.0000 + Cd Cd578 1.0 0.57812 0.67188 0.35174 1.0000 + Cd Cd579 1.0 0.54688 0.70312 0.35174 1.0000 + Cd Cd580 1.0 0.51562 0.73438 0.35174 1.0000 + Cd Cd581 1.0 0.48437 0.76562 0.35174 1.0000 + Cd Cd582 1.0 0.45312 0.79687 0.35174 1.0000 + Cd Cd583 1.0 0.42187 0.82813 0.35174 1.0000 + Cd Cd584 1.0 0.39062 0.85938 0.35174 1.0000 + Cd Cd585 1.0 0.35937 0.89063 0.35174 1.0000 + Cd Cd586 1.0 0.32812 0.92187 0.35174 1.0000 + Cd Cd587 1.0 0.29687 0.95312 0.35174 1.0000 + Cd Cd588 1.0 0.26562 0.98437 0.35174 1.0000 + Cd Cd589 1.0 0.23437 0.01563 0.35174 1.0000 + Cd Cd590 1.0 0.20312 0.04687 0.35174 1.0000 + Cd Cd591 1.0 0.17187 0.07813 0.35174 1.0000 + Cd Cd592 1.0 0.14062 0.10938 0.35174 1.0000 + Cd Cd593 1.0 0.64062 0.67188 0.35174 1.0000 + Cd Cd594 1.0 0.60937 0.70312 0.35174 1.0000 + Cd Cd595 1.0 0.57812 0.73438 0.35174 1.0000 + Cd Cd596 1.0 0.54688 0.76562 0.35174 1.0000 + Cd Cd597 1.0 0.51562 0.79687 0.35174 1.0000 + Cd Cd598 1.0 0.48437 0.82813 0.35174 1.0000 + Cd Cd599 1.0 0.45312 0.85938 0.35174 1.0000 + Cd Cd600 1.0 0.42187 0.89063 0.35174 1.0000 + Cd Cd601 1.0 0.39062 0.92188 0.35174 1.0000 + Cd Cd602 1.0 0.35938 0.95312 0.35174 1.0000 + Cd Cd603 1.0 0.32813 0.98438 0.35174 1.0000 + Cd Cd604 1.0 0.29687 0.01563 0.35174 1.0000 + Cd Cd605 1.0 0.26562 0.04688 0.35174 1.0000 + Cd Cd606 1.0 0.23437 0.07813 0.35174 1.0000 + Cd Cd607 1.0 0.20312 0.10938 0.35174 1.0000 + Cd Cd608 1.0 0.17187 0.14063 0.35174 1.0000 + Cd Cd609 1.0 0.67187 0.70312 0.35174 1.0000 + Cd Cd610 1.0 0.64062 0.73438 0.35174 1.0000 + Cd Cd611 1.0 0.60937 0.76562 0.35174 1.0000 + Cd Cd612 1.0 0.57812 0.79688 0.35174 1.0000 + Cd Cd613 1.0 0.54687 0.82813 0.35174 1.0000 + Cd Cd614 1.0 0.51562 0.85937 0.35174 1.0000 + Cd Cd615 1.0 0.48437 0.89063 0.35174 1.0000 + Cd Cd616 1.0 0.45312 0.92187 0.35174 1.0000 + Cd Cd617 1.0 0.42187 0.95312 0.35174 1.0000 + Cd Cd618 1.0 0.39062 0.98438 0.35174 1.0000 + Cd Cd619 1.0 0.35937 0.01563 0.35174 1.0000 + Cd Cd620 1.0 0.32813 0.04687 0.35174 1.0000 + Cd Cd621 1.0 0.29687 0.07813 0.35174 1.0000 + Cd Cd622 1.0 0.26562 0.10938 0.35174 1.0000 + Cd Cd623 1.0 0.23437 0.14063 0.35174 1.0000 + Cd Cd624 1.0 0.20312 0.17187 0.35174 1.0000 + Cd Cd625 1.0 0.70312 0.73438 0.35174 1.0000 + Cd Cd626 1.0 0.67187 0.76562 0.35174 1.0000 + Cd Cd627 1.0 0.64062 0.79687 0.35174 1.0000 + Cd Cd628 1.0 0.60937 0.82813 0.35174 1.0000 + Cd Cd629 1.0 0.57812 0.85937 0.35174 1.0000 + Cd Cd630 1.0 0.54688 0.89062 0.35174 1.0000 + Cd Cd631 1.0 0.51562 0.92188 0.35174 1.0000 + Cd Cd632 1.0 0.48437 0.95312 0.35174 1.0000 + Cd Cd633 1.0 0.45312 0.98438 0.35174 1.0000 + Cd Cd634 1.0 0.42187 0.01563 0.35174 1.0000 + Cd Cd635 1.0 0.39062 0.04687 0.35174 1.0000 + Cd Cd636 1.0 0.35937 0.07812 0.35174 1.0000 + Cd Cd637 1.0 0.32812 0.10938 0.35174 1.0000 + Cd Cd638 1.0 0.29687 0.14063 0.35174 1.0000 + Cd Cd639 1.0 0.26562 0.17187 0.35174 1.0000 + Cd Cd640 1.0 0.23438 0.20312 0.35174 1.0000 + Cd Cd641 1.0 0.73437 0.76562 0.35174 1.0000 + Cd Cd642 1.0 0.70312 0.79687 0.35174 1.0000 + Cd Cd643 1.0 0.67187 0.82813 0.35174 1.0000 + Cd Cd644 1.0 0.64062 0.85938 0.35174 1.0000 + Cd Cd645 1.0 0.60937 0.89062 0.35174 1.0000 + Cd Cd646 1.0 0.57812 0.92187 0.35174 1.0000 + Cd Cd647 1.0 0.54687 0.95312 0.35174 1.0000 + Cd Cd648 1.0 0.51562 0.98438 0.35174 1.0000 + Cd Cd649 1.0 0.48437 0.01563 0.35174 1.0000 + Cd Cd650 1.0 0.45312 0.04687 0.35174 1.0000 + Cd Cd651 1.0 0.42187 0.07812 0.35174 1.0000 + Cd Cd652 1.0 0.39062 0.10938 0.35174 1.0000 + Cd Cd653 1.0 0.35938 0.14063 0.35174 1.0000 + Cd Cd654 1.0 0.32813 0.17187 0.35174 1.0000 + Cd Cd655 1.0 0.29687 0.20312 0.35174 1.0000 + Cd Cd656 1.0 0.26562 0.23438 0.35174 1.0000 + Cd Cd657 1.0 0.76562 0.79687 0.35174 1.0000 + Cd Cd658 1.0 0.73437 0.82813 0.35174 1.0000 + Cd Cd659 1.0 0.70312 0.85938 0.35174 1.0000 + Cd Cd660 1.0 0.67187 0.89063 0.35174 1.0000 + Cd Cd661 1.0 0.64062 0.92187 0.35174 1.0000 + Cd Cd662 1.0 0.60937 0.95312 0.35174 1.0000 + Cd Cd663 1.0 0.57812 0.98438 0.35174 1.0000 + Cd Cd664 1.0 0.54687 0.01563 0.35174 1.0000 + Cd Cd665 1.0 0.51562 0.04687 0.35174 1.0000 + Cd Cd666 1.0 0.48437 0.07813 0.35174 1.0000 + Cd Cd667 1.0 0.45312 0.10938 0.35174 1.0000 + Cd Cd668 1.0 0.42187 0.14062 0.35174 1.0000 + Cd Cd669 1.0 0.39062 0.17187 0.35174 1.0000 + Cd Cd670 1.0 0.35938 0.20313 0.35174 1.0000 + Cd Cd671 1.0 0.32812 0.23438 0.35174 1.0000 + Cd Cd672 1.0 0.29687 0.26562 0.35174 1.0000 + Cd Cd673 1.0 0.79687 0.82813 0.35174 1.0000 + Cd Cd674 1.0 0.76562 0.85938 0.35174 1.0000 + Cd Cd675 1.0 0.73437 0.89063 0.35174 1.0000 + Cd Cd676 1.0 0.70312 0.92188 0.35174 1.0000 + Cd Cd677 1.0 0.67187 0.95312 0.35174 1.0000 + Cd Cd678 1.0 0.64062 0.98438 0.35174 1.0000 + Cd Cd679 1.0 0.60937 0.01563 0.35174 1.0000 + Cd Cd680 1.0 0.57812 0.04688 0.35174 1.0000 + Cd Cd681 1.0 0.54688 0.07813 0.35174 1.0000 + Cd Cd682 1.0 0.51562 0.10938 0.35174 1.0000 + Cd Cd683 1.0 0.48437 0.14062 0.35174 1.0000 + Cd Cd684 1.0 0.45312 0.17188 0.35174 1.0000 + Cd Cd685 1.0 0.42187 0.20312 0.35174 1.0000 + Cd Cd686 1.0 0.39062 0.23438 0.35174 1.0000 + Cd Cd687 1.0 0.35938 0.26563 0.35174 1.0000 + Cd Cd688 1.0 0.32812 0.29688 0.35174 1.0000 + Cd Cd689 1.0 0.82812 0.85937 0.35174 1.0000 + Cd Cd690 1.0 0.79687 0.89063 0.35174 1.0000 + Cd Cd691 1.0 0.76562 0.92187 0.35174 1.0000 + Cd Cd692 1.0 0.73437 0.95312 0.35174 1.0000 + Cd Cd693 1.0 0.70312 0.98437 0.35174 1.0000 + Cd Cd694 1.0 0.67187 0.01563 0.35174 1.0000 + Cd Cd695 1.0 0.64062 0.04688 0.35174 1.0000 + Cd Cd696 1.0 0.60937 0.07812 0.35174 1.0000 + Cd Cd697 1.0 0.57812 0.10938 0.35174 1.0000 + Cd Cd698 1.0 0.54687 0.14062 0.35174 1.0000 + Cd Cd699 1.0 0.51562 0.17187 0.35174 1.0000 + Cd Cd700 1.0 0.48437 0.20313 0.35174 1.0000 + Cd Cd701 1.0 0.45312 0.23437 0.35174 1.0000 + Cd Cd702 1.0 0.42187 0.26562 0.35174 1.0000 + Cd Cd703 1.0 0.39062 0.29688 0.35174 1.0000 + Cd Cd704 1.0 0.35937 0.32813 0.35174 1.0000 + Cd Cd705 1.0 0.85937 0.89062 0.35174 1.0000 + Cd Cd706 1.0 0.82812 0.92187 0.35174 1.0000 + Cd Cd707 1.0 0.79687 0.95312 0.35174 1.0000 + Cd Cd708 1.0 0.76562 0.98438 0.35174 1.0000 + Cd Cd709 1.0 0.73437 0.01562 0.35174 1.0000 + Cd Cd710 1.0 0.70312 0.04687 0.35174 1.0000 + Cd Cd711 1.0 0.67187 0.07813 0.35174 1.0000 + Cd Cd712 1.0 0.64062 0.10937 0.35174 1.0000 + Cd Cd713 1.0 0.60937 0.14062 0.35174 1.0000 + Cd Cd714 1.0 0.57812 0.17187 0.35174 1.0000 + Cd Cd715 1.0 0.54688 0.20312 0.35174 1.0000 + Cd Cd716 1.0 0.51562 0.23438 0.35174 1.0000 + Cd Cd717 1.0 0.48437 0.26562 0.35174 1.0000 + Cd Cd718 1.0 0.45312 0.29688 0.35174 1.0000 + Cd Cd719 1.0 0.42187 0.32812 0.35174 1.0000 + Cd Cd720 1.0 0.39062 0.35938 0.35174 1.0000 + Cd Cd721 1.0 0.89062 0.92187 0.35174 1.0000 + Cd Cd722 1.0 0.85937 0.95312 0.35174 1.0000 + Cd Cd723 1.0 0.82812 0.98438 0.35174 1.0000 + Cd Cd724 1.0 0.79687 0.01563 0.35174 1.0000 + Cd Cd725 1.0 0.76562 0.04688 0.35174 1.0000 + Cd Cd726 1.0 0.73437 0.07813 0.35174 1.0000 + Cd Cd727 1.0 0.70312 0.10938 0.35174 1.0000 + Cd Cd728 1.0 0.67187 0.14063 0.35174 1.0000 + Cd Cd729 1.0 0.64062 0.17187 0.35174 1.0000 + Cd Cd730 1.0 0.60937 0.20313 0.35174 1.0000 + Cd Cd731 1.0 0.57812 0.23438 0.35174 1.0000 + Cd Cd732 1.0 0.54688 0.26562 0.35174 1.0000 + Cd Cd733 1.0 0.51562 0.29688 0.35174 1.0000 + Cd Cd734 1.0 0.48437 0.32813 0.35174 1.0000 + Cd Cd735 1.0 0.45312 0.35938 0.35174 1.0000 + Cd Cd736 1.0 0.42188 0.39063 0.35174 1.0000 + Cd Cd737 1.0 0.92187 0.95312 0.35174 1.0000 + Cd Cd738 1.0 0.89062 0.98437 0.35174 1.0000 + Cd Cd739 1.0 0.85937 0.01563 0.35174 1.0000 + Cd Cd740 1.0 0.82812 0.04687 0.35174 1.0000 + Cd Cd741 1.0 0.79687 0.07813 0.35174 1.0000 + Cd Cd742 1.0 0.76562 0.10938 0.35174 1.0000 + Cd Cd743 1.0 0.73437 0.14063 0.35174 1.0000 + Cd Cd744 1.0 0.70312 0.17187 0.35174 1.0000 + Cd Cd745 1.0 0.67187 0.20312 0.35174 1.0000 + Cd Cd746 1.0 0.64062 0.23437 0.35174 1.0000 + Cd Cd747 1.0 0.60937 0.26562 0.35174 1.0000 + Cd Cd748 1.0 0.57812 0.29688 0.35174 1.0000 + Cd Cd749 1.0 0.54688 0.32813 0.35174 1.0000 + Cd Cd750 1.0 0.51562 0.35938 0.35174 1.0000 + Cd Cd751 1.0 0.48437 0.39062 0.35174 1.0000 + Cd Cd752 1.0 0.45312 0.42187 0.35174 1.0000 + Cd Cd753 1.0 0.95312 0.98438 0.35174 1.0000 + Cd Cd754 1.0 0.92187 0.01562 0.35174 1.0000 + Cd Cd755 1.0 0.89062 0.04687 0.35174 1.0000 + Cd Cd756 1.0 0.85937 0.07812 0.35174 1.0000 + Cd Cd757 1.0 0.82812 0.10938 0.35174 1.0000 + Cd Cd758 1.0 0.79687 0.14062 0.35174 1.0000 + Cd Cd759 1.0 0.76562 0.17188 0.35174 1.0000 + Cd Cd760 1.0 0.73437 0.20313 0.35174 1.0000 + Cd Cd761 1.0 0.70312 0.23437 0.35174 1.0000 + Cd Cd762 1.0 0.67187 0.26562 0.35174 1.0000 + Cd Cd763 1.0 0.64062 0.29688 0.35174 1.0000 + Cd Cd764 1.0 0.60937 0.32813 0.35174 1.0000 + Cd Cd765 1.0 0.57812 0.35938 0.35174 1.0000 + Cd Cd766 1.0 0.54688 0.39062 0.35174 1.0000 + Cd Cd767 1.0 0.51562 0.42188 0.35174 1.0000 + Cd Cd768 1.0 0.48438 0.45313 0.35174 1.0000 + Cd Cd769 1.0 0.50000 0.53125 0.64826 1.0000 + Cd Cd770 1.0 0.46875 0.56250 0.64826 1.0000 + Cd Cd771 1.0 0.43750 0.59375 0.64826 1.0000 + Cd Cd772 1.0 0.40625 0.62500 0.64826 1.0000 + Cd Cd773 1.0 0.37500 0.65625 0.64826 1.0000 + Cd Cd774 1.0 0.34375 0.68750 0.64826 1.0000 + Cd Cd775 1.0 0.31250 0.71875 0.64826 1.0000 + Cd Cd776 1.0 0.28125 0.75000 0.64826 1.0000 + Cd Cd777 1.0 0.25000 0.78125 0.64826 1.0000 + Cd Cd778 1.0 0.21875 0.81250 0.64826 1.0000 + Cd Cd779 1.0 0.18750 0.84375 0.64826 1.0000 + Cd Cd780 1.0 0.15625 0.87500 0.64826 1.0000 + Cd Cd781 1.0 0.12500 0.90625 0.64826 1.0000 + Cd Cd782 1.0 0.09375 0.93750 0.64826 1.0000 + Cd Cd783 1.0 0.06250 0.96875 0.64826 1.0000 + Cd Cd784 1.0 0.03125 1.00000 0.64826 1.0000 + Cd Cd785 1.0 0.53125 0.56250 0.64826 1.0000 + Cd Cd786 1.0 0.50000 0.59375 0.64826 1.0000 + Cd Cd787 1.0 0.46875 0.62500 0.64826 1.0000 + Cd Cd788 1.0 0.43750 0.65625 0.64826 1.0000 + Cd Cd789 1.0 0.40625 0.68750 0.64826 1.0000 + Cd Cd790 1.0 0.37500 0.71875 0.64826 1.0000 + Cd Cd791 1.0 0.34375 0.75000 0.64826 1.0000 + Cd Cd792 1.0 0.31250 0.78125 0.64826 1.0000 + Cd Cd793 1.0 0.28125 0.81250 0.64826 1.0000 + Cd Cd794 1.0 0.25000 0.84375 0.64826 1.0000 + Cd Cd795 1.0 0.21875 0.87500 0.64826 1.0000 + Cd Cd796 1.0 0.18750 0.90625 0.64826 1.0000 + Cd Cd797 1.0 0.15625 0.93750 0.64826 1.0000 + Cd Cd798 1.0 0.12500 0.96875 0.64826 1.0000 + Cd Cd799 1.0 0.09375 1.00000 0.64826 1.0000 + Cd Cd800 1.0 0.06250 0.03125 0.64826 1.0000 + Cd Cd801 1.0 0.56250 0.59375 0.64826 1.0000 + Cd Cd802 1.0 0.53125 0.62500 0.64826 1.0000 + Cd Cd803 1.0 0.50000 0.65625 0.64826 1.0000 + Cd Cd804 1.0 0.46875 0.68750 0.64826 1.0000 + Cd Cd805 1.0 0.43750 0.71875 0.64826 1.0000 + Cd Cd806 1.0 0.40625 0.75000 0.64826 1.0000 + Cd Cd807 1.0 0.37500 0.78125 0.64826 1.0000 + Cd Cd808 1.0 0.34375 0.81250 0.64826 1.0000 + Cd Cd809 1.0 0.31250 0.84375 0.64826 1.0000 + Cd Cd810 1.0 0.28125 0.87500 0.64826 1.0000 + Cd Cd811 1.0 0.25000 0.90625 0.64826 1.0000 + Cd Cd812 1.0 0.21875 0.93750 0.64826 1.0000 + Cd Cd813 1.0 0.18750 0.96875 0.64826 1.0000 + Cd Cd814 1.0 0.15625 1.00000 0.64826 1.0000 + Cd Cd815 1.0 0.12500 0.03125 0.64826 1.0000 + Cd Cd816 1.0 0.09375 0.06250 0.64826 1.0000 + Cd Cd817 1.0 0.59375 0.62500 0.64826 1.0000 + Cd Cd818 1.0 0.56250 0.65625 0.64826 1.0000 + Cd Cd819 1.0 0.53125 0.68750 0.64826 1.0000 + Cd Cd820 1.0 0.50000 0.71875 0.64826 1.0000 + Cd Cd821 1.0 0.46875 0.75000 0.64826 1.0000 + Cd Cd822 1.0 0.43750 0.78125 0.64826 1.0000 + Cd Cd823 1.0 0.40625 0.81250 0.64826 1.0000 + Cd Cd824 1.0 0.37500 0.84375 0.64826 1.0000 + Cd Cd825 1.0 0.34375 0.87500 0.64826 1.0000 + Cd Cd826 1.0 0.31250 0.90625 0.64826 1.0000 + Cd Cd827 1.0 0.28125 0.93750 0.64826 1.0000 + Cd Cd828 1.0 0.25000 0.96875 0.64826 1.0000 + Cd Cd829 1.0 0.21875 1.00000 0.64826 1.0000 + Cd Cd830 1.0 0.18750 0.03125 0.64826 1.0000 + Cd Cd831 1.0 0.15625 0.06250 0.64826 1.0000 + Cd Cd832 1.0 0.12500 0.09375 0.64826 1.0000 + Cd Cd833 1.0 0.62500 0.65625 0.64826 1.0000 + Cd Cd834 1.0 0.59375 0.68750 0.64826 1.0000 + Cd Cd835 1.0 0.56250 0.71875 0.64826 1.0000 + Cd Cd836 1.0 0.53125 0.75000 0.64826 1.0000 + Cd Cd837 1.0 0.50000 0.78125 0.64826 1.0000 + Cd Cd838 1.0 0.46875 0.81250 0.64826 1.0000 + Cd Cd839 1.0 0.43750 0.84375 0.64826 1.0000 + Cd Cd840 1.0 0.40625 0.87500 0.64826 1.0000 + Cd Cd841 1.0 0.37500 0.90625 0.64826 1.0000 + Cd Cd842 1.0 0.34375 0.93750 0.64826 1.0000 + Cd Cd843 1.0 0.31250 0.96875 0.64826 1.0000 + Cd Cd844 1.0 0.28125 1.00000 0.64826 1.0000 + Cd Cd845 1.0 0.25000 0.03125 0.64826 1.0000 + Cd Cd846 1.0 0.21875 0.06250 0.64826 1.0000 + Cd Cd847 1.0 0.18750 0.09375 0.64826 1.0000 + Cd Cd848 1.0 0.15625 0.12500 0.64826 1.0000 + Cd Cd849 1.0 0.65625 0.68750 0.64826 1.0000 + Cd Cd850 1.0 0.62500 0.71875 0.64826 1.0000 + Cd Cd851 1.0 0.59375 0.75000 0.64826 1.0000 + Cd Cd852 1.0 0.56250 0.78125 0.64826 1.0000 + Cd Cd853 1.0 0.53125 0.81250 0.64826 1.0000 + Cd Cd854 1.0 0.50000 0.84375 0.64826 1.0000 + Cd Cd855 1.0 0.46875 0.87500 0.64826 1.0000 + Cd Cd856 1.0 0.43750 0.90625 0.64826 1.0000 + Cd Cd857 1.0 0.40625 0.93750 0.64826 1.0000 + Cd Cd858 1.0 0.37500 0.96875 0.64826 1.0000 + Cd Cd859 1.0 0.34375 1.00000 0.64826 1.0000 + Cd Cd860 1.0 0.31250 0.03125 0.64826 1.0000 + Cd Cd861 1.0 0.28125 0.06250 0.64826 1.0000 + Cd Cd862 1.0 0.25000 0.09375 0.64826 1.0000 + Cd Cd863 1.0 0.21875 0.12500 0.64826 1.0000 + Cd Cd864 1.0 0.18750 0.15625 0.64826 1.0000 + Cd Cd865 1.0 0.68750 0.71875 0.64826 1.0000 + Cd Cd866 1.0 0.65625 0.75000 0.64826 1.0000 + Cd Cd867 1.0 0.62500 0.78125 0.64826 1.0000 + Cd Cd868 1.0 0.59375 0.81250 0.64826 1.0000 + Cd Cd869 1.0 0.56250 0.84375 0.64826 1.0000 + Cd Cd870 1.0 0.53125 0.87500 0.64826 1.0000 + Cd Cd871 1.0 0.50000 0.90625 0.64826 1.0000 + Cd Cd872 1.0 0.46875 0.93750 0.64826 1.0000 + Cd Cd873 1.0 0.43750 0.96875 0.64826 1.0000 + Cd Cd874 1.0 0.40625 1.00000 0.64826 1.0000 + Cd Cd875 1.0 0.37500 0.03125 0.64826 1.0000 + Cd Cd876 1.0 0.34375 0.06250 0.64826 1.0000 + Cd Cd877 1.0 0.31250 0.09375 0.64826 1.0000 + Cd Cd878 1.0 0.28125 0.12500 0.64826 1.0000 + Cd Cd879 1.0 0.25000 0.15625 0.64826 1.0000 + Cd Cd880 1.0 0.21875 0.18750 0.64826 1.0000 + Cd Cd881 1.0 0.71875 0.75000 0.64826 1.0000 + Cd Cd882 1.0 0.68750 0.78125 0.64826 1.0000 + Cd Cd883 1.0 0.65625 0.81250 0.64826 1.0000 + Cd Cd884 1.0 0.62500 0.84375 0.64826 1.0000 + Cd Cd885 1.0 0.59375 0.87500 0.64826 1.0000 + Cd Cd886 1.0 0.56250 0.90625 0.64826 1.0000 + Cd Cd887 1.0 0.53125 0.93750 0.64826 1.0000 + Cd Cd888 1.0 0.50000 0.96875 0.64826 1.0000 + Cd Cd889 1.0 0.46875 1.00000 0.64826 1.0000 + Cd Cd890 1.0 0.43750 0.03125 0.64826 1.0000 + Cd Cd891 1.0 0.40625 0.06250 0.64826 1.0000 + Cd Cd892 1.0 0.37500 0.09375 0.64826 1.0000 + Cd Cd893 1.0 0.34375 0.12500 0.64826 1.0000 + Cd Cd894 1.0 0.31250 0.15625 0.64826 1.0000 + Cd Cd895 1.0 0.28125 0.18750 0.64826 1.0000 + Cd Cd896 1.0 0.25000 0.21875 0.64826 1.0000 + Cd Cd897 1.0 0.75000 0.78125 0.64826 1.0000 + Cd Cd898 1.0 0.71875 0.81250 0.64826 1.0000 + Cd Cd899 1.0 0.68750 0.84375 0.64826 1.0000 + Cd Cd900 1.0 0.65625 0.87500 0.64826 1.0000 + Cd Cd901 1.0 0.62500 0.90625 0.64826 1.0000 + Cd Cd902 1.0 0.59375 0.93750 0.64826 1.0000 + Cd Cd903 1.0 0.56250 0.96875 0.64826 1.0000 + Cd Cd904 1.0 0.53125 1.00000 0.64826 1.0000 + Cd Cd905 1.0 0.50000 0.03125 0.64826 1.0000 + Cd Cd906 1.0 0.46875 0.06250 0.64826 1.0000 + Cd Cd907 1.0 0.43750 0.09375 0.64826 1.0000 + Cd Cd908 1.0 0.40625 0.12500 0.64826 1.0000 + Cd Cd909 1.0 0.37500 0.15625 0.64826 1.0000 + Cd Cd910 1.0 0.34375 0.18750 0.64826 1.0000 + Cd Cd911 1.0 0.31250 0.21875 0.64826 1.0000 + Cd Cd912 1.0 0.28125 0.25000 0.64826 1.0000 + Cd Cd913 1.0 0.78125 0.81250 0.64826 1.0000 + Cd Cd914 1.0 0.75000 0.84375 0.64826 1.0000 + Cd Cd915 1.0 0.71875 0.87500 0.64826 1.0000 + Cd Cd916 1.0 0.68750 0.90625 0.64826 1.0000 + Cd Cd917 1.0 0.65625 0.93750 0.64826 1.0000 + Cd Cd918 1.0 0.62500 0.96875 0.64826 1.0000 + Cd Cd919 1.0 0.59375 1.00000 0.64826 1.0000 + Cd Cd920 1.0 0.56250 0.03125 0.64826 1.0000 + Cd Cd921 1.0 0.53125 0.06250 0.64826 1.0000 + Cd Cd922 1.0 0.50000 0.09375 0.64826 1.0000 + Cd Cd923 1.0 0.46875 0.12500 0.64826 1.0000 + Cd Cd924 1.0 0.43750 0.15625 0.64826 1.0000 + Cd Cd925 1.0 0.40625 0.18750 0.64826 1.0000 + Cd Cd926 1.0 0.37500 0.21875 0.64826 1.0000 + Cd Cd927 1.0 0.34375 0.25000 0.64826 1.0000 + Cd Cd928 1.0 0.31250 0.28125 0.64826 1.0000 + Cd Cd929 1.0 0.81250 0.84375 0.64826 1.0000 + Cd Cd930 1.0 0.78125 0.87500 0.64826 1.0000 + Cd Cd931 1.0 0.75000 0.90625 0.64826 1.0000 + Cd Cd932 1.0 0.71875 0.93750 0.64826 1.0000 + Cd Cd933 1.0 0.68750 0.96875 0.64826 1.0000 + Cd Cd934 1.0 0.65625 1.00000 0.64826 1.0000 + Cd Cd935 1.0 0.62500 0.03125 0.64826 1.0000 + Cd Cd936 1.0 0.59375 0.06250 0.64826 1.0000 + Cd Cd937 1.0 0.56250 0.09375 0.64826 1.0000 + Cd Cd938 1.0 0.53125 0.12500 0.64826 1.0000 + Cd Cd939 1.0 0.50000 0.15625 0.64826 1.0000 + Cd Cd940 1.0 0.46875 0.18750 0.64826 1.0000 + Cd Cd941 1.0 0.43750 0.21875 0.64826 1.0000 + Cd Cd942 1.0 0.40625 0.25000 0.64826 1.0000 + Cd Cd943 1.0 0.37500 0.28125 0.64826 1.0000 + Cd Cd944 1.0 0.34375 0.31250 0.64826 1.0000 + Cd Cd945 1.0 0.84375 0.87500 0.64826 1.0000 + Cd Cd946 1.0 0.81250 0.90625 0.64826 1.0000 + Cd Cd947 1.0 0.78125 0.93750 0.64826 1.0000 + Cd Cd948 1.0 0.75000 0.96875 0.64826 1.0000 + Cd Cd949 1.0 0.71875 1.00000 0.64826 1.0000 + Cd Cd950 1.0 0.68750 0.03125 0.64826 1.0000 + Cd Cd951 1.0 0.65625 0.06250 0.64826 1.0000 + Cd Cd952 1.0 0.62500 0.09375 0.64826 1.0000 + Cd Cd953 1.0 0.59375 0.12500 0.64826 1.0000 + Cd Cd954 1.0 0.56250 0.15625 0.64826 1.0000 + Cd Cd955 1.0 0.53125 0.18750 0.64826 1.0000 + Cd Cd956 1.0 0.50000 0.21875 0.64826 1.0000 + Cd Cd957 1.0 0.46875 0.25000 0.64826 1.0000 + Cd Cd958 1.0 0.43750 0.28125 0.64826 1.0000 + Cd Cd959 1.0 0.40625 0.31250 0.64826 1.0000 + Cd Cd960 1.0 0.37500 0.34375 0.64826 1.0000 + Cd Cd961 1.0 0.87500 0.90625 0.64826 1.0000 + Cd Cd962 1.0 0.84375 0.93750 0.64826 1.0000 + Cd Cd963 1.0 0.81250 0.96875 0.64826 1.0000 + Cd Cd964 1.0 0.78125 1.00000 0.64826 1.0000 + Cd Cd965 1.0 0.75000 0.03125 0.64826 1.0000 + Cd Cd966 1.0 0.71875 0.06250 0.64826 1.0000 + Cd Cd967 1.0 0.68750 0.09375 0.64826 1.0000 + Cd Cd968 1.0 0.65625 0.12500 0.64826 1.0000 + Cd Cd969 1.0 0.62500 0.15625 0.64826 1.0000 + Cd Cd970 1.0 0.59375 0.18750 0.64826 1.0000 + Cd Cd971 1.0 0.56250 0.21875 0.64826 1.0000 + Cd Cd972 1.0 0.53125 0.25000 0.64826 1.0000 + Cd Cd973 1.0 0.50000 0.28125 0.64826 1.0000 + Cd Cd974 1.0 0.46875 0.31250 0.64826 1.0000 + Cd Cd975 1.0 0.43750 0.34375 0.64826 1.0000 + Cd Cd976 1.0 0.40625 0.37500 0.64826 1.0000 + Cd Cd977 1.0 0.90625 0.93750 0.64826 1.0000 + Cd Cd978 1.0 0.87500 0.96875 0.64826 1.0000 + Cd Cd979 1.0 0.84375 1.00000 0.64826 1.0000 + Cd Cd980 1.0 0.81250 0.03125 0.64826 1.0000 + Cd Cd981 1.0 0.78125 0.06250 0.64826 1.0000 + Cd Cd982 1.0 0.75000 0.09375 0.64826 1.0000 + Cd Cd983 1.0 0.71875 0.12500 0.64826 1.0000 + Cd Cd984 1.0 0.68750 0.15625 0.64826 1.0000 + Cd Cd985 1.0 0.65625 0.18750 0.64826 1.0000 + Cd Cd986 1.0 0.62500 0.21875 0.64826 1.0000 + Cd Cd987 1.0 0.59375 0.25000 0.64826 1.0000 + Cd Cd988 1.0 0.56250 0.28125 0.64826 1.0000 + Cd Cd989 1.0 0.53125 0.31250 0.64826 1.0000 + Cd Cd990 1.0 0.50000 0.34375 0.64826 1.0000 + Cd Cd991 1.0 0.46875 0.37500 0.64826 1.0000 + Cd Cd992 1.0 0.43750 0.40625 0.64826 1.0000 + Cd Cd993 1.0 0.93750 0.96875 0.64826 1.0000 + Cd Cd994 1.0 0.90625 1.00000 0.64826 1.0000 + Cd Cd995 1.0 0.87500 0.03125 0.64826 1.0000 + Cd Cd996 1.0 0.84375 0.06250 0.64826 1.0000 + Cd Cd997 1.0 0.81250 0.09375 0.64826 1.0000 + Cd Cd998 1.0 0.78125 0.12500 0.64826 1.0000 + Cd Cd999 1.0 0.75000 0.15625 0.64826 1.0000 + Cd Cd1000 1.0 0.71875 0.18750 0.64826 1.0000 + Cd Cd1001 1.0 0.68750 0.21875 0.64826 1.0000 + Cd Cd1002 1.0 0.65625 0.25000 0.64826 1.0000 + Cd Cd1003 1.0 0.62500 0.28125 0.64826 1.0000 + Cd Cd1004 1.0 0.59375 0.31250 0.64826 1.0000 + Cd Cd1005 1.0 0.56250 0.34375 0.64826 1.0000 + Cd Cd1006 1.0 0.53125 0.37500 0.64826 1.0000 + Cd Cd1007 1.0 0.50000 0.40625 0.64826 1.0000 + Cd Cd1008 1.0 0.46875 0.43750 0.64826 1.0000 + Cd Cd1009 1.0 0.96875 1.00000 0.64826 1.0000 + Cd Cd1010 1.0 0.93750 0.03125 0.64826 1.0000 + Cd Cd1011 1.0 0.90625 0.06250 0.64826 1.0000 + Cd Cd1012 1.0 0.87500 0.09375 0.64826 1.0000 + Cd Cd1013 1.0 0.84375 0.12500 0.64826 1.0000 + Cd Cd1014 1.0 0.81250 0.15625 0.64826 1.0000 + Cd Cd1015 1.0 0.78125 0.18750 0.64826 1.0000 + Cd Cd1016 1.0 0.75000 0.21875 0.64826 1.0000 + Cd Cd1017 1.0 0.71875 0.25000 0.64826 1.0000 + Cd Cd1018 1.0 0.68750 0.28125 0.64826 1.0000 + Cd Cd1019 1.0 0.65625 0.31250 0.64826 1.0000 + Cd Cd1020 1.0 0.62500 0.34375 0.64826 1.0000 + Cd Cd1021 1.0 0.59375 0.37500 0.64826 1.0000 + Cd Cd1022 1.0 0.56250 0.40625 0.64826 1.0000 + Cd Cd1023 1.0 0.53125 0.43750 0.64826 1.0000 + Cd Cd1024 1.0 0.50000 0.46875 0.64826 1.0000 + Si Si257 1.0 0.50000 0.50000 0.50000 1.0000 + Si Si258 1.0 0.46875 0.53125 0.50000 1.0000 + Si Si259 1.0 0.43750 0.56250 0.50000 1.0000 + Si Si260 1.0 0.40625 0.59375 0.50000 1.0000 + Si Si261 1.0 0.37500 0.62500 0.50000 1.0000 + Si Si262 1.0 0.34375 0.65625 0.50000 1.0000 + Si Si263 1.0 0.31250 0.68750 0.50000 1.0000 + Si Si264 1.0 0.28125 0.71875 0.50000 1.0000 + Si Si265 1.0 0.25000 0.75000 0.50000 1.0000 + Si Si266 1.0 0.21875 0.78125 0.50000 1.0000 + Si Si267 1.0 0.18750 0.81250 0.50000 1.0000 + Si Si268 1.0 0.15625 0.84375 0.50000 1.0000 + Si Si269 1.0 0.12500 0.87500 0.50000 1.0000 + Si Si270 1.0 0.09375 0.90625 0.50000 1.0000 + Si Si271 1.0 0.06250 0.93750 0.50000 1.0000 + Si Si272 1.0 0.03125 0.96875 0.50000 1.0000 + Si Si273 1.0 0.53125 0.53125 0.50000 1.0000 + Si Si274 1.0 0.50000 0.56250 0.50000 1.0000 + Si Si275 1.0 0.46875 0.59375 0.50000 1.0000 + Si Si276 1.0 0.43750 0.62500 0.50000 1.0000 + Si Si277 1.0 0.40625 0.65625 0.50000 1.0000 + Si Si278 1.0 0.37500 0.68750 0.50000 1.0000 + Si Si279 1.0 0.34375 0.71875 0.50000 1.0000 + Si Si280 1.0 0.31250 0.75000 0.50000 1.0000 + Si Si281 1.0 0.28125 0.78125 0.50000 1.0000 + Si Si282 1.0 0.25000 0.81250 0.50000 1.0000 + Si Si283 1.0 0.21875 0.84375 0.50000 1.0000 + Si Si284 1.0 0.18750 0.87500 0.50000 1.0000 + Si Si285 1.0 0.15625 0.90625 0.50000 1.0000 + Si Si286 1.0 0.12500 0.93750 0.50000 1.0000 + Si Si287 1.0 0.09375 0.96875 0.50000 1.0000 + Si Si288 1.0 0.06250 1.00000 0.50000 1.0000 + Si Si289 1.0 0.56250 0.56250 0.50000 1.0000 + Si Si290 1.0 0.53125 0.59375 0.50000 1.0000 + Si Si291 1.0 0.50000 0.62500 0.50000 1.0000 + Si Si292 1.0 0.46875 0.65625 0.50000 1.0000 + Si Si293 1.0 0.43750 0.68750 0.50000 1.0000 + Si Si294 1.0 0.40625 0.71875 0.50000 1.0000 + Si Si295 1.0 0.37500 0.75000 0.50000 1.0000 + Si Si296 1.0 0.34375 0.78125 0.50000 1.0000 + Si Si297 1.0 0.31250 0.81250 0.50000 1.0000 + Si Si298 1.0 0.28125 0.84375 0.50000 1.0000 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diff --git a/tier2/cif_file/orthogonal_2dm-544_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-544_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..43a3c09a1e0e1cd7f66ede1200faedd1e53d63bd --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-544_supercell_12x12x1.cif @@ -0,0 +1,2329 @@ +data_image0 +_chemical_formula_structural Os288F864Os288F864 +_chemical_formula_sum "Os576 F1728" +_cell_length_a 99.3259 +_cell_length_b 57.3462 +_cell_length_c 6.69571 +_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 + Os Os1 1.0 0.00695 0.06250 0.50000 1.0000 + Os Os2 1.0 0.96528 0.10417 0.50000 1.0000 + Os Os3 1.0 0.92361 0.14583 0.50000 1.0000 + Os Os4 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1.0000 + F F1549 1.0 0.88139 0.91029 0.70130 1.0000 + F F1550 1.0 0.83972 0.95196 0.70130 1.0000 + F F1551 1.0 0.79806 0.99362 0.70130 1.0000 + F F1552 1.0 0.75639 0.03529 0.70130 1.0000 + F F1553 1.0 0.71472 0.07696 0.70130 1.0000 + F F1554 1.0 0.67306 0.11862 0.70130 1.0000 + F F1555 1.0 0.63139 0.16029 0.70130 1.0000 + F F1556 1.0 0.58972 0.20196 0.70130 1.0000 + F F1557 1.0 0.54806 0.24362 0.70130 1.0000 + F F1558 1.0 0.50639 0.28529 0.70130 1.0000 + F F1559 1.0 0.46472 0.32696 0.70130 1.0000 + F F1560 1.0 0.42306 0.36862 0.70130 1.0000 + F F1561 1.0 0.92306 0.95196 0.70130 1.0000 + F F1562 1.0 0.88139 0.99362 0.70130 1.0000 + F F1563 1.0 0.83972 0.03529 0.70130 1.0000 + F F1564 1.0 0.79806 0.07696 0.70130 1.0000 + F F1565 1.0 0.75639 0.11862 0.70130 1.0000 + F F1566 1.0 0.71472 0.16029 0.70130 1.0000 + F F1567 1.0 0.67306 0.20196 0.70130 1.0000 + F F1568 1.0 0.63139 0.24362 0.70130 1.0000 + F F1569 1.0 0.58972 0.28529 0.70130 1.0000 + F F1570 1.0 0.54806 0.32696 0.70130 1.0000 + F F1571 1.0 0.50639 0.36862 0.70130 1.0000 + F F1572 1.0 0.46472 0.41029 0.70130 1.0000 + F F1573 1.0 0.96472 0.99362 0.70130 1.0000 + F F1574 1.0 0.92306 0.03529 0.70130 1.0000 + F F1575 1.0 0.88139 0.07696 0.70130 1.0000 + F F1576 1.0 0.83972 0.11862 0.70130 1.0000 + F F1577 1.0 0.79806 0.16029 0.70130 1.0000 + F F1578 1.0 0.75639 0.20196 0.70130 1.0000 + F F1579 1.0 0.71472 0.24362 0.70130 1.0000 + F F1580 1.0 0.67306 0.28529 0.70130 1.0000 + F F1581 1.0 0.63139 0.32696 0.70130 1.0000 + F F1582 1.0 0.58972 0.36862 0.70130 1.0000 + F F1583 1.0 0.54806 0.41029 0.70130 1.0000 + F F1584 1.0 0.50639 0.45196 0.70130 1.0000 + F F1585 1.0 0.53529 0.53529 0.70114 1.0000 + F F1586 1.0 0.49362 0.57695 0.70114 1.0000 + F F1587 1.0 0.45195 0.61862 0.70114 1.0000 + F F1588 1.0 0.41029 0.66029 0.70114 1.0000 + F F1589 1.0 0.36862 0.70195 0.70114 1.0000 + F F1590 1.0 0.32695 0.74362 0.70114 1.0000 + F F1591 1.0 0.28529 0.78529 0.70114 1.0000 + F F1592 1.0 0.24362 0.82695 0.70114 1.0000 + F F1593 1.0 0.20195 0.86862 0.70114 1.0000 + F F1594 1.0 0.16029 0.91029 0.70114 1.0000 + F F1595 1.0 0.11862 0.95195 0.70114 1.0000 + F F1596 1.0 0.07695 0.99362 0.70114 1.0000 + F F1597 1.0 0.57695 0.57695 0.70114 1.0000 + F F1598 1.0 0.53529 0.61862 0.70114 1.0000 + F F1599 1.0 0.49362 0.66029 0.70114 1.0000 + F F1600 1.0 0.45195 0.70195 0.70114 1.0000 + F F1601 1.0 0.41029 0.74362 0.70114 1.0000 + F F1602 1.0 0.36862 0.78529 0.70114 1.0000 + F F1603 1.0 0.32695 0.82695 0.70114 1.0000 + F F1604 1.0 0.28529 0.86862 0.70114 1.0000 + F F1605 1.0 0.24362 0.91029 0.70114 1.0000 + F F1606 1.0 0.20195 0.95195 0.70114 1.0000 + F F1607 1.0 0.16029 0.99362 0.70114 1.0000 + F F1608 1.0 0.11862 0.03529 0.70114 1.0000 + F F1609 1.0 0.61862 0.61862 0.70114 1.0000 + F F1610 1.0 0.57695 0.66029 0.70114 1.0000 + F F1611 1.0 0.53529 0.70195 0.70114 1.0000 + F F1612 1.0 0.49362 0.74362 0.70114 1.0000 + F F1613 1.0 0.45195 0.78529 0.70114 1.0000 + F F1614 1.0 0.41029 0.82695 0.70114 1.0000 + F F1615 1.0 0.36862 0.86862 0.70114 1.0000 + F F1616 1.0 0.32695 0.91029 0.70114 1.0000 + F F1617 1.0 0.28529 0.95195 0.70114 1.0000 + F F1618 1.0 0.24362 0.99362 0.70114 1.0000 + F F1619 1.0 0.20195 0.03529 0.70114 1.0000 + F F1620 1.0 0.16029 0.07695 0.70114 1.0000 + F F1621 1.0 0.66029 0.66029 0.70114 1.0000 + F F1622 1.0 0.61862 0.70195 0.70114 1.0000 + F F1623 1.0 0.57695 0.74362 0.70114 1.0000 + F F1624 1.0 0.53529 0.78529 0.70114 1.0000 + F F1625 1.0 0.49362 0.82695 0.70114 1.0000 + F F1626 1.0 0.45195 0.86862 0.70114 1.0000 + F F1627 1.0 0.41029 0.91029 0.70114 1.0000 + F F1628 1.0 0.36862 0.95195 0.70114 1.0000 + F F1629 1.0 0.32695 0.99362 0.70114 1.0000 + F F1630 1.0 0.28529 0.03529 0.70114 1.0000 + F F1631 1.0 0.24362 0.07695 0.70114 1.0000 + F F1632 1.0 0.20195 0.11862 0.70114 1.0000 + F F1633 1.0 0.70195 0.70195 0.70114 1.0000 + F F1634 1.0 0.66029 0.74362 0.70114 1.0000 + F F1635 1.0 0.61862 0.78529 0.70114 1.0000 + F F1636 1.0 0.57695 0.82695 0.70114 1.0000 + F F1637 1.0 0.53529 0.86862 0.70114 1.0000 + F F1638 1.0 0.49362 0.91029 0.70114 1.0000 + F F1639 1.0 0.45195 0.95195 0.70114 1.0000 + F F1640 1.0 0.41029 0.99362 0.70114 1.0000 + F F1641 1.0 0.36862 0.03529 0.70114 1.0000 + F F1642 1.0 0.32695 0.07695 0.70114 1.0000 + F F1643 1.0 0.28529 0.11862 0.70114 1.0000 + F F1644 1.0 0.24362 0.16029 0.70114 1.0000 + F F1645 1.0 0.74362 0.74362 0.70114 1.0000 + F F1646 1.0 0.70195 0.78529 0.70114 1.0000 + F F1647 1.0 0.66029 0.82695 0.70114 1.0000 + F F1648 1.0 0.61862 0.86862 0.70114 1.0000 + F F1649 1.0 0.57695 0.91029 0.70114 1.0000 + F F1650 1.0 0.53529 0.95195 0.70114 1.0000 + F F1651 1.0 0.49362 0.99362 0.70114 1.0000 + F F1652 1.0 0.45195 0.03529 0.70114 1.0000 + F F1653 1.0 0.41029 0.07695 0.70114 1.0000 + F F1654 1.0 0.36862 0.11862 0.70114 1.0000 + F F1655 1.0 0.32695 0.16029 0.70114 1.0000 + F F1656 1.0 0.28529 0.20195 0.70114 1.0000 + F F1657 1.0 0.78529 0.78529 0.70114 1.0000 + F F1658 1.0 0.74362 0.82695 0.70114 1.0000 + F F1659 1.0 0.70195 0.86862 0.70114 1.0000 + F F1660 1.0 0.66029 0.91029 0.70114 1.0000 + F F1661 1.0 0.61862 0.95195 0.70114 1.0000 + F F1662 1.0 0.57695 0.99362 0.70114 1.0000 + F F1663 1.0 0.53529 0.03529 0.70114 1.0000 + F F1664 1.0 0.49362 0.07695 0.70114 1.0000 + F F1665 1.0 0.45195 0.11862 0.70114 1.0000 + F F1666 1.0 0.41029 0.16029 0.70114 1.0000 + F F1667 1.0 0.36862 0.20195 0.70114 1.0000 + F F1668 1.0 0.32695 0.24362 0.70114 1.0000 + F F1669 1.0 0.82695 0.82695 0.70114 1.0000 + F F1670 1.0 0.78529 0.86862 0.70114 1.0000 + F F1671 1.0 0.74362 0.91029 0.70114 1.0000 + F F1672 1.0 0.70195 0.95195 0.70114 1.0000 + F F1673 1.0 0.66029 0.99362 0.70114 1.0000 + F F1674 1.0 0.61862 0.03529 0.70114 1.0000 + F F1675 1.0 0.57695 0.07695 0.70114 1.0000 + F F1676 1.0 0.53529 0.11862 0.70114 1.0000 + F F1677 1.0 0.49362 0.16029 0.70114 1.0000 + F F1678 1.0 0.45195 0.20195 0.70114 1.0000 + F F1679 1.0 0.41029 0.24362 0.70114 1.0000 + F F1680 1.0 0.36862 0.28529 0.70114 1.0000 + F F1681 1.0 0.86862 0.86862 0.70114 1.0000 + F F1682 1.0 0.82695 0.91029 0.70114 1.0000 + F F1683 1.0 0.78529 0.95195 0.70114 1.0000 + F F1684 1.0 0.74362 0.99362 0.70114 1.0000 + F F1685 1.0 0.70195 0.03529 0.70114 1.0000 + F F1686 1.0 0.66029 0.07695 0.70114 1.0000 + F F1687 1.0 0.61862 0.11862 0.70114 1.0000 + F F1688 1.0 0.57695 0.16029 0.70114 1.0000 + F F1689 1.0 0.53529 0.20195 0.70114 1.0000 + F F1690 1.0 0.49362 0.24362 0.70114 1.0000 + F F1691 1.0 0.45195 0.28529 0.70114 1.0000 + F F1692 1.0 0.41029 0.32695 0.70114 1.0000 + F F1693 1.0 0.91029 0.91029 0.70114 1.0000 + F F1694 1.0 0.86862 0.95195 0.70114 1.0000 + F F1695 1.0 0.82695 0.99362 0.70114 1.0000 + F F1696 1.0 0.78529 0.03529 0.70114 1.0000 + F F1697 1.0 0.74362 0.07695 0.70114 1.0000 + F F1698 1.0 0.70195 0.11862 0.70114 1.0000 + F F1699 1.0 0.66029 0.16029 0.70114 1.0000 + F F1700 1.0 0.61862 0.20195 0.70114 1.0000 + F F1701 1.0 0.57695 0.24362 0.70114 1.0000 + F F1702 1.0 0.53529 0.28529 0.70114 1.0000 + F F1703 1.0 0.49362 0.32695 0.70114 1.0000 + F F1704 1.0 0.45195 0.36862 0.70114 1.0000 + F F1705 1.0 0.95195 0.95195 0.70114 1.0000 + F F1706 1.0 0.91029 0.99362 0.70114 1.0000 + F F1707 1.0 0.86862 0.03529 0.70114 1.0000 + F F1708 1.0 0.82695 0.07695 0.70114 1.0000 + F F1709 1.0 0.78529 0.11862 0.70114 1.0000 + F F1710 1.0 0.74362 0.16029 0.70114 1.0000 + F F1711 1.0 0.70195 0.20195 0.70114 1.0000 + F F1712 1.0 0.66029 0.24362 0.70114 1.0000 + F F1713 1.0 0.61862 0.28529 0.70114 1.0000 + F F1714 1.0 0.57695 0.32695 0.70114 1.0000 + F F1715 1.0 0.53529 0.36862 0.70114 1.0000 + F F1716 1.0 0.49362 0.41029 0.70114 1.0000 + F F1717 1.0 0.99362 0.99362 0.70114 1.0000 + F F1718 1.0 0.95195 0.03529 0.70114 1.0000 + F F1719 1.0 0.91029 0.07695 0.70114 1.0000 + F F1720 1.0 0.86862 0.11862 0.70114 1.0000 + F F1721 1.0 0.82695 0.16029 0.70114 1.0000 + F F1722 1.0 0.78529 0.20195 0.70114 1.0000 + F F1723 1.0 0.74362 0.24362 0.70114 1.0000 + F F1724 1.0 0.70195 0.28529 0.70114 1.0000 + F F1725 1.0 0.66029 0.32695 0.70114 1.0000 + F F1726 1.0 0.61862 0.36862 0.70114 1.0000 + F F1727 1.0 0.57695 0.41029 0.70114 1.0000 + F F1728 1.0 0.53529 0.45195 0.70114 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5465_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5465_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..f768e75cec32da5ae6ef0002f932abe294481705 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5465_supercell_16x16x1.cif @@ -0,0 +1,2585 @@ +data_image0 +_chemical_formula_structural Sn256C256Cl768Sn256C256Cl768 +_chemical_formula_sum "Sn512 C512 Cl1536" +_cell_length_a 173.397 +_cell_length_b 100.111 +_cell_length_c 4.99285 +_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 0.02083 0.00000 0.40057 1.0000 + Sn Sn2 1.0 0.05208 0.03125 0.40057 1.0000 + Sn Sn3 1.0 0.08333 0.06250 0.40057 1.0000 + Sn Sn4 1.0 0.11458 0.09375 0.40057 1.0000 + Sn Sn5 1.0 0.14583 0.12500 0.40057 1.0000 + Sn Sn6 1.0 0.17708 0.15625 0.40057 1.0000 + Sn Sn7 1.0 0.20833 0.18750 0.40057 1.0000 + Sn Sn8 1.0 0.23958 0.21875 0.40057 1.0000 + Sn Sn9 1.0 0.27083 0.25000 0.40057 1.0000 + Sn Sn10 1.0 0.30208 0.28125 0.40057 1.0000 + Sn Sn11 1.0 0.33333 0.31250 0.40057 1.0000 + Sn Sn12 1.0 0.36458 0.34375 0.40057 1.0000 + Sn Sn13 1.0 0.39583 0.37500 0.40057 1.0000 + Sn Sn14 1.0 0.42708 0.40625 0.40057 1.0000 + Sn Sn15 1.0 0.45833 0.43750 0.40057 1.0000 + Sn Sn16 1.0 0.48958 0.46875 0.40057 1.0000 + Sn Sn17 1.0 0.05208 0.96875 0.40057 1.0000 + Sn Sn18 1.0 0.08333 0.00000 0.40057 1.0000 + Sn Sn19 1.0 0.11458 0.03125 0.40057 1.0000 + Sn Sn20 1.0 0.14583 0.06250 0.40057 1.0000 + Sn Sn21 1.0 0.17708 0.09375 0.40057 1.0000 + Sn Sn22 1.0 0.20833 0.12500 0.40057 1.0000 + Sn Sn23 1.0 0.23958 0.15625 0.40057 1.0000 + Sn Sn24 1.0 0.27083 0.18750 0.40057 1.0000 + Sn Sn25 1.0 0.30208 0.21875 0.40057 1.0000 + Sn Sn26 1.0 0.33333 0.25000 0.40057 1.0000 + Sn Sn27 1.0 0.36458 0.28125 0.40057 1.0000 + Sn Sn28 1.0 0.39583 0.31250 0.40057 1.0000 + Sn Sn29 1.0 0.42708 0.34375 0.40057 1.0000 + Sn Sn30 1.0 0.45833 0.37500 0.40057 1.0000 + Sn Sn31 1.0 0.48958 0.40625 0.40057 1.0000 + Sn Sn32 1.0 0.52083 0.43750 0.40057 1.0000 + Sn Sn33 1.0 0.08333 0.93750 0.40057 1.0000 + Sn Sn34 1.0 0.11458 0.96875 0.40057 1.0000 + Sn Sn35 1.0 0.14583 0.00000 0.40057 1.0000 + Sn Sn36 1.0 0.17708 0.03125 0.40057 1.0000 + Sn Sn37 1.0 0.20833 0.06250 0.40057 1.0000 + Sn Sn38 1.0 0.23958 0.09375 0.40057 1.0000 + Sn Sn39 1.0 0.27083 0.12500 0.40057 1.0000 + Sn Sn40 1.0 0.30208 0.15625 0.40057 1.0000 + Sn Sn41 1.0 0.33333 0.18750 0.40057 1.0000 + Sn Sn42 1.0 0.36458 0.21875 0.40057 1.0000 + Sn Sn43 1.0 0.39583 0.25000 0.40057 1.0000 + Sn Sn44 1.0 0.42708 0.28125 0.40057 1.0000 + Sn Sn45 1.0 0.45833 0.31250 0.40057 1.0000 + Sn Sn46 1.0 0.48958 0.34375 0.40057 1.0000 + Sn Sn47 1.0 0.52083 0.37500 0.40057 1.0000 + Sn Sn48 1.0 0.55208 0.40625 0.40057 1.0000 + Sn Sn49 1.0 0.11458 0.90625 0.40057 1.0000 + Sn Sn50 1.0 0.14583 0.93750 0.40057 1.0000 + Sn Sn51 1.0 0.17708 0.96875 0.40057 1.0000 + Sn Sn52 1.0 0.20833 0.00000 0.40057 1.0000 + Sn Sn53 1.0 0.23958 0.03125 0.40057 1.0000 + Sn Sn54 1.0 0.27083 0.06250 0.40057 1.0000 + Sn Sn55 1.0 0.30208 0.09375 0.40057 1.0000 + Sn Sn56 1.0 0.33333 0.12500 0.40057 1.0000 + Sn Sn57 1.0 0.36458 0.15625 0.40057 1.0000 + Sn Sn58 1.0 0.39583 0.18750 0.40057 1.0000 + Sn Sn59 1.0 0.42708 0.21875 0.40057 1.0000 + Sn Sn60 1.0 0.45833 0.25000 0.40057 1.0000 + Sn Sn61 1.0 0.48958 0.28125 0.40057 1.0000 + Sn Sn62 1.0 0.52083 0.31250 0.40057 1.0000 + Sn Sn63 1.0 0.55208 0.34375 0.40057 1.0000 + Sn Sn64 1.0 0.58333 0.37500 0.40057 1.0000 + Sn Sn65 1.0 0.14583 0.87500 0.40057 1.0000 + Sn Sn66 1.0 0.17708 0.90625 0.40057 1.0000 + Sn Sn67 1.0 0.20833 0.93750 0.40057 1.0000 + Sn Sn68 1.0 0.23958 0.96875 0.40057 1.0000 + Sn Sn69 1.0 0.27083 0.00000 0.40057 1.0000 + Sn Sn70 1.0 0.30208 0.03125 0.40057 1.0000 + Sn Sn71 1.0 0.33333 0.06250 0.40057 1.0000 + Sn Sn72 1.0 0.36458 0.09375 0.40057 1.0000 + Sn Sn73 1.0 0.39583 0.12500 0.40057 1.0000 + Sn Sn74 1.0 0.42708 0.15625 0.40057 1.0000 + Sn Sn75 1.0 0.45833 0.18750 0.40057 1.0000 + Sn Sn76 1.0 0.48958 0.21875 0.40057 1.0000 + Sn Sn77 1.0 0.52083 0.25000 0.40057 1.0000 + Sn Sn78 1.0 0.55208 0.28125 0.40057 1.0000 + Sn Sn79 1.0 0.58333 0.31250 0.40057 1.0000 + Sn Sn80 1.0 0.61458 0.34375 0.40057 1.0000 + Sn Sn81 1.0 0.17708 0.84375 0.40057 1.0000 + Sn Sn82 1.0 0.20833 0.87500 0.40057 1.0000 + Sn Sn83 1.0 0.23958 0.90625 0.40057 1.0000 + Sn Sn84 1.0 0.27083 0.93750 0.40057 1.0000 + Sn Sn85 1.0 0.30208 0.96875 0.40057 1.0000 + Sn Sn86 1.0 0.33333 0.00000 0.40057 1.0000 + Sn Sn87 1.0 0.36458 0.03125 0.40057 1.0000 + Sn Sn88 1.0 0.39583 0.06250 0.40057 1.0000 + Sn Sn89 1.0 0.42708 0.09375 0.40057 1.0000 + Sn Sn90 1.0 0.45833 0.12500 0.40057 1.0000 + Sn Sn91 1.0 0.48958 0.15625 0.40057 1.0000 + Sn Sn92 1.0 0.52083 0.18750 0.40057 1.0000 + Sn Sn93 1.0 0.55208 0.21875 0.40057 1.0000 + Sn Sn94 1.0 0.58333 0.25000 0.40057 1.0000 + Sn Sn95 1.0 0.61458 0.28125 0.40057 1.0000 + Sn Sn96 1.0 0.64583 0.31250 0.40057 1.0000 + Sn Sn97 1.0 0.20833 0.81250 0.40057 1.0000 + Sn Sn98 1.0 0.23958 0.84375 0.40057 1.0000 + Sn Sn99 1.0 0.27083 0.87500 0.40057 1.0000 + Sn Sn100 1.0 0.30208 0.90625 0.40057 1.0000 + Sn Sn101 1.0 0.33333 0.93750 0.40057 1.0000 + Sn Sn102 1.0 0.36458 0.96875 0.40057 1.0000 + Sn Sn103 1.0 0.39583 0.00000 0.40057 1.0000 + Sn Sn104 1.0 0.42708 0.03125 0.40057 1.0000 + Sn Sn105 1.0 0.45833 0.06250 0.40057 1.0000 + Sn Sn106 1.0 0.48958 0.09375 0.40057 1.0000 + Sn Sn107 1.0 0.52083 0.12500 0.40057 1.0000 + Sn Sn108 1.0 0.55208 0.15625 0.40057 1.0000 + Sn Sn109 1.0 0.58333 0.18750 0.40057 1.0000 + Sn Sn110 1.0 0.61458 0.21875 0.40057 1.0000 + Sn Sn111 1.0 0.64583 0.25000 0.40057 1.0000 + Sn Sn112 1.0 0.67708 0.28125 0.40057 1.0000 + Sn Sn113 1.0 0.23958 0.78125 0.40057 1.0000 + Sn Sn114 1.0 0.27083 0.81250 0.40057 1.0000 + Sn Sn115 1.0 0.30208 0.84375 0.40057 1.0000 + Sn Sn116 1.0 0.33333 0.87500 0.40057 1.0000 + Sn Sn117 1.0 0.36458 0.90625 0.40057 1.0000 + Sn Sn118 1.0 0.39583 0.93750 0.40057 1.0000 + Sn Sn119 1.0 0.42708 0.96875 0.40057 1.0000 + Sn Sn120 1.0 0.45833 0.00000 0.40057 1.0000 + Sn Sn121 1.0 0.48958 0.03125 0.40057 1.0000 + Sn Sn122 1.0 0.52083 0.06250 0.40057 1.0000 + Sn Sn123 1.0 0.55208 0.09375 0.40057 1.0000 + Sn Sn124 1.0 0.58333 0.12500 0.40057 1.0000 + Sn Sn125 1.0 0.61458 0.15625 0.40057 1.0000 + Sn Sn126 1.0 0.64583 0.18750 0.40057 1.0000 + Sn Sn127 1.0 0.67708 0.21875 0.40057 1.0000 + Sn Sn128 1.0 0.70833 0.25000 0.40057 1.0000 + Sn Sn129 1.0 0.27083 0.75000 0.40057 1.0000 + Sn Sn130 1.0 0.30208 0.78125 0.40057 1.0000 + Sn Sn131 1.0 0.33333 0.81250 0.40057 1.0000 + Sn Sn132 1.0 0.36458 0.84375 0.40057 1.0000 + Sn Sn133 1.0 0.39583 0.87500 0.40057 1.0000 + Sn Sn134 1.0 0.42708 0.90625 0.40057 1.0000 + Sn Sn135 1.0 0.45833 0.93750 0.40057 1.0000 + Sn Sn136 1.0 0.48958 0.96875 0.40057 1.0000 + Sn Sn137 1.0 0.52083 0.00000 0.40057 1.0000 + Sn Sn138 1.0 0.55208 0.03125 0.40057 1.0000 + Sn Sn139 1.0 0.58333 0.06250 0.40057 1.0000 + Sn Sn140 1.0 0.61458 0.09375 0.40057 1.0000 + Sn Sn141 1.0 0.64583 0.12500 0.40057 1.0000 + Sn Sn142 1.0 0.67708 0.15625 0.40057 1.0000 + Sn Sn143 1.0 0.70833 0.18750 0.40057 1.0000 + Sn Sn144 1.0 0.73958 0.21875 0.40057 1.0000 + Sn Sn145 1.0 0.30208 0.71875 0.40057 1.0000 + Sn Sn146 1.0 0.33333 0.75000 0.40057 1.0000 + Sn Sn147 1.0 0.36458 0.78125 0.40057 1.0000 + Sn Sn148 1.0 0.39583 0.81250 0.40057 1.0000 + Sn Sn149 1.0 0.42708 0.84375 0.40057 1.0000 + Sn Sn150 1.0 0.45833 0.87500 0.40057 1.0000 + Sn Sn151 1.0 0.48958 0.90625 0.40057 1.0000 + Sn Sn152 1.0 0.52083 0.93750 0.40057 1.0000 + Sn Sn153 1.0 0.55208 0.96875 0.40057 1.0000 + Sn Sn154 1.0 0.58333 0.00000 0.40057 1.0000 + Sn Sn155 1.0 0.61458 0.03125 0.40057 1.0000 + Sn Sn156 1.0 0.64583 0.06250 0.40057 1.0000 + Sn Sn157 1.0 0.67708 0.09375 0.40057 1.0000 + Sn Sn158 1.0 0.70833 0.12500 0.40057 1.0000 + Sn Sn159 1.0 0.73958 0.15625 0.40057 1.0000 + Sn Sn160 1.0 0.77083 0.18750 0.40057 1.0000 + Sn Sn161 1.0 0.33333 0.68750 0.40057 1.0000 + Sn Sn162 1.0 0.36458 0.71875 0.40057 1.0000 + Sn Sn163 1.0 0.39583 0.75000 0.40057 1.0000 + Sn Sn164 1.0 0.42708 0.78125 0.40057 1.0000 + Sn Sn165 1.0 0.45833 0.81250 0.40057 1.0000 + Sn Sn166 1.0 0.48958 0.84375 0.40057 1.0000 + Sn Sn167 1.0 0.52083 0.87500 0.40057 1.0000 + Sn Sn168 1.0 0.55208 0.90625 0.40057 1.0000 + Sn Sn169 1.0 0.58333 0.93750 0.40057 1.0000 + Sn Sn170 1.0 0.61458 0.96875 0.40057 1.0000 + Sn Sn171 1.0 0.64583 0.00000 0.40057 1.0000 + Sn Sn172 1.0 0.67708 0.03125 0.40057 1.0000 + Sn Sn173 1.0 0.70833 0.06250 0.40057 1.0000 + Sn Sn174 1.0 0.73958 0.09375 0.40057 1.0000 + Sn Sn175 1.0 0.77083 0.12500 0.40057 1.0000 + Sn Sn176 1.0 0.80208 0.15625 0.40057 1.0000 + Sn Sn177 1.0 0.36458 0.65625 0.40057 1.0000 + Sn Sn178 1.0 0.39583 0.68750 0.40057 1.0000 + Sn Sn179 1.0 0.42708 0.71875 0.40057 1.0000 + Sn Sn180 1.0 0.45833 0.75000 0.40057 1.0000 + Sn Sn181 1.0 0.48958 0.78125 0.40057 1.0000 + Sn Sn182 1.0 0.52083 0.81250 0.40057 1.0000 + Sn Sn183 1.0 0.55208 0.84375 0.40057 1.0000 + Sn Sn184 1.0 0.58333 0.87500 0.40057 1.0000 + Sn Sn185 1.0 0.61458 0.90625 0.40057 1.0000 + Sn Sn186 1.0 0.64583 0.93750 0.40057 1.0000 + Sn Sn187 1.0 0.67708 0.96875 0.40057 1.0000 + Sn Sn188 1.0 0.70833 0.00000 0.40057 1.0000 + Sn Sn189 1.0 0.73958 0.03125 0.40057 1.0000 + Sn Sn190 1.0 0.77083 0.06250 0.40057 1.0000 + Sn Sn191 1.0 0.80208 0.09375 0.40057 1.0000 + Sn Sn192 1.0 0.83333 0.12500 0.40057 1.0000 + Sn Sn193 1.0 0.39583 0.62500 0.40057 1.0000 + Sn Sn194 1.0 0.42708 0.65625 0.40057 1.0000 + Sn Sn195 1.0 0.45833 0.68750 0.40057 1.0000 + Sn Sn196 1.0 0.48958 0.71875 0.40057 1.0000 + Sn Sn197 1.0 0.52083 0.75000 0.40057 1.0000 + Sn Sn198 1.0 0.55208 0.78125 0.40057 1.0000 + Sn Sn199 1.0 0.58333 0.81250 0.40057 1.0000 + Sn Sn200 1.0 0.61458 0.84375 0.40057 1.0000 + Sn Sn201 1.0 0.64583 0.87500 0.40057 1.0000 + Sn Sn202 1.0 0.67708 0.90625 0.40057 1.0000 + Sn Sn203 1.0 0.70833 0.93750 0.40057 1.0000 + Sn Sn204 1.0 0.73958 0.96875 0.40057 1.0000 + Sn Sn205 1.0 0.77083 0.00000 0.40057 1.0000 + Sn Sn206 1.0 0.80208 0.03125 0.40057 1.0000 + Sn Sn207 1.0 0.83333 0.06250 0.40057 1.0000 + Sn Sn208 1.0 0.86458 0.09375 0.40057 1.0000 + Sn Sn209 1.0 0.42708 0.59375 0.40057 1.0000 + Sn Sn210 1.0 0.45833 0.62500 0.40057 1.0000 + Sn Sn211 1.0 0.48958 0.65625 0.40057 1.0000 + Sn Sn212 1.0 0.52083 0.68750 0.40057 1.0000 + Sn Sn213 1.0 0.55208 0.71875 0.40057 1.0000 + Sn Sn214 1.0 0.58333 0.75000 0.40057 1.0000 + Sn Sn215 1.0 0.61458 0.78125 0.40057 1.0000 + Sn Sn216 1.0 0.64583 0.81250 0.40057 1.0000 + Sn Sn217 1.0 0.67708 0.84375 0.40057 1.0000 + Sn Sn218 1.0 0.70833 0.87500 0.40057 1.0000 + Sn Sn219 1.0 0.73958 0.90625 0.40057 1.0000 + Sn Sn220 1.0 0.77083 0.93750 0.40057 1.0000 + Sn Sn221 1.0 0.80208 0.96875 0.40057 1.0000 + Sn Sn222 1.0 0.83333 0.00000 0.40057 1.0000 + Sn Sn223 1.0 0.86458 0.03125 0.40057 1.0000 + Sn Sn224 1.0 0.89583 0.06250 0.40057 1.0000 + Sn Sn225 1.0 0.45833 0.56250 0.40057 1.0000 + Sn Sn226 1.0 0.48958 0.59375 0.40057 1.0000 + Sn Sn227 1.0 0.52083 0.62500 0.40057 1.0000 + Sn Sn228 1.0 0.55208 0.65625 0.40057 1.0000 + Sn Sn229 1.0 0.58333 0.68750 0.40057 1.0000 + Sn Sn230 1.0 0.61458 0.71875 0.40057 1.0000 + Sn Sn231 1.0 0.64583 0.75000 0.40057 1.0000 + Sn Sn232 1.0 0.67708 0.78125 0.40057 1.0000 + Sn Sn233 1.0 0.70833 0.81250 0.40057 1.0000 + Sn Sn234 1.0 0.73958 0.84375 0.40057 1.0000 + Sn Sn235 1.0 0.77083 0.87500 0.40057 1.0000 + Sn Sn236 1.0 0.80208 0.90625 0.40057 1.0000 + Sn Sn237 1.0 0.83333 0.93750 0.40057 1.0000 + Sn Sn238 1.0 0.86458 0.96875 0.40057 1.0000 + Sn Sn239 1.0 0.89583 0.00000 0.40057 1.0000 + Sn Sn240 1.0 0.92708 0.03125 0.40057 1.0000 + Sn Sn241 1.0 0.48958 0.53125 0.40057 1.0000 + Sn Sn242 1.0 0.52083 0.56250 0.40057 1.0000 + Sn Sn243 1.0 0.55208 0.59375 0.40057 1.0000 + Sn Sn244 1.0 0.58333 0.62500 0.40057 1.0000 + Sn Sn245 1.0 0.61458 0.65625 0.40057 1.0000 + Sn Sn246 1.0 0.64583 0.68750 0.40057 1.0000 + Sn Sn247 1.0 0.67708 0.71875 0.40057 1.0000 + Sn Sn248 1.0 0.70833 0.75000 0.40057 1.0000 + Sn Sn249 1.0 0.73958 0.78125 0.40057 1.0000 + Sn Sn250 1.0 0.77083 0.81250 0.40057 1.0000 + Sn Sn251 1.0 0.80208 0.84375 0.40057 1.0000 + Sn Sn252 1.0 0.83333 0.87500 0.40057 1.0000 + Sn Sn253 1.0 0.86458 0.90625 0.40057 1.0000 + Sn Sn254 1.0 0.89583 0.93750 0.40057 1.0000 + Sn Sn255 1.0 0.92708 0.96875 0.40057 1.0000 + Sn Sn256 1.0 0.95833 0.00000 0.40057 1.0000 + C C1 1.0 0.00000 0.00000 0.59943 1.0000 + C C2 1.0 0.03125 0.03125 0.59943 1.0000 + C C3 1.0 0.06250 0.06250 0.59943 1.0000 + C C4 1.0 0.59375 0.59375 0.59943 1.0000 + C C5 1.0 0.12500 0.12500 0.59943 1.0000 + C C6 1.0 0.15625 0.15625 0.59943 1.0000 + C C7 1.0 0.68750 0.68750 0.59943 1.0000 + C C8 1.0 0.21875 0.21875 0.59943 1.0000 + C C9 1.0 0.25000 0.25000 0.59943 1.0000 + C C10 1.0 0.28125 0.28125 0.59943 1.0000 + C C11 1.0 0.31250 0.31250 0.59943 1.0000 + C C12 1.0 0.34375 0.34375 0.59943 1.0000 + C C13 1.0 0.87500 0.87500 0.59943 1.0000 + C C14 1.0 0.90625 0.90625 0.59943 1.0000 + C C15 1.0 0.43750 0.43750 0.59943 1.0000 + C C16 1.0 0.96875 0.96875 0.59943 1.0000 + C C17 1.0 0.03125 0.96875 0.59943 1.0000 + C C18 1.0 0.06250 0.00000 0.59943 1.0000 + C C19 1.0 0.09375 0.03125 0.59943 1.0000 + C C20 1.0 0.12500 0.06250 0.59943 1.0000 + C C21 1.0 0.15625 0.09375 0.59943 1.0000 + C C22 1.0 0.18750 0.12500 0.59943 1.0000 + C C23 1.0 0.21875 0.15625 0.59943 1.0000 + C C24 1.0 0.25000 0.18750 0.59943 1.0000 + C C25 1.0 0.28125 0.21875 0.59943 1.0000 + C C26 1.0 0.31250 0.25000 0.59943 1.0000 + C C27 1.0 0.34375 0.28125 0.59943 1.0000 + C C28 1.0 0.37500 0.31250 0.59943 1.0000 + C C29 1.0 0.40625 0.34375 0.59943 1.0000 + C C30 1.0 0.43750 0.37500 0.59943 1.0000 + C C31 1.0 0.46875 0.40625 0.59943 1.0000 + C C32 1.0 0.50000 0.43750 0.59943 1.0000 + C C33 1.0 0.06250 0.93750 0.59943 1.0000 + C C34 1.0 0.09375 0.96875 0.59943 1.0000 + C C35 1.0 0.12500 0.00000 0.59943 1.0000 + C C36 1.0 0.15625 0.03125 0.59943 1.0000 + C C37 1.0 0.18750 0.06250 0.59943 1.0000 + C C38 1.0 0.21875 0.09375 0.59943 1.0000 + C C39 1.0 0.25000 0.12500 0.59943 1.0000 + C C40 1.0 0.28125 0.15625 0.59943 1.0000 + C C41 1.0 0.31250 0.18750 0.59943 1.0000 + C C42 1.0 0.34375 0.21875 0.59943 1.0000 + C C43 1.0 0.37500 0.25000 0.59943 1.0000 + C C44 1.0 0.40625 0.28125 0.59943 1.0000 + C C45 1.0 0.43750 0.31250 0.59943 1.0000 + C C46 1.0 0.46875 0.34375 0.59943 1.0000 + C C47 1.0 0.50000 0.37500 0.59943 1.0000 + C C48 1.0 0.53125 0.40625 0.59943 1.0000 + C C49 1.0 0.09375 0.90625 0.59943 1.0000 + C C50 1.0 0.12500 0.93750 0.59943 1.0000 + C C51 1.0 0.15625 0.96875 0.59943 1.0000 + C C52 1.0 0.18750 0.00000 0.59943 1.0000 + C C53 1.0 0.21875 0.03125 0.59943 1.0000 + C C54 1.0 0.25000 0.06250 0.59943 1.0000 + C C55 1.0 0.28125 0.09375 0.59943 1.0000 + C C56 1.0 0.31250 0.12500 0.59943 1.0000 + C C57 1.0 0.34375 0.15625 0.59943 1.0000 + C C58 1.0 0.37500 0.18750 0.59943 1.0000 + C C59 1.0 0.40625 0.21875 0.59943 1.0000 + C C60 1.0 0.43750 0.25000 0.59943 1.0000 + C C61 1.0 0.46875 0.28125 0.59943 1.0000 + C C62 1.0 0.50000 0.31250 0.59943 1.0000 + C C63 1.0 0.53125 0.34375 0.59943 1.0000 + C C64 1.0 0.56250 0.37500 0.59943 1.0000 + C C65 1.0 0.12500 0.87500 0.59943 1.0000 + C C66 1.0 0.15625 0.90625 0.59943 1.0000 + C C67 1.0 0.18750 0.93750 0.59943 1.0000 + C C68 1.0 0.21875 0.96875 0.59943 1.0000 + C C69 1.0 0.25000 0.00000 0.59943 1.0000 + C C70 1.0 0.28125 0.03125 0.59943 1.0000 + C C71 1.0 0.31250 0.06250 0.59943 1.0000 + C C72 1.0 0.34375 0.09375 0.59943 1.0000 + C C73 1.0 0.37500 0.12500 0.59943 1.0000 + C C74 1.0 0.40625 0.15625 0.59943 1.0000 + C C75 1.0 0.43750 0.18750 0.59943 1.0000 + C C76 1.0 0.46875 0.21875 0.59943 1.0000 + C C77 1.0 0.50000 0.25000 0.59943 1.0000 + C C78 1.0 0.53125 0.28125 0.59943 1.0000 + C C79 1.0 0.56250 0.31250 0.59943 1.0000 + C C80 1.0 0.59375 0.34375 0.59943 1.0000 + C C81 1.0 0.15625 0.84375 0.59943 1.0000 + C C82 1.0 0.18750 0.87500 0.59943 1.0000 + C C83 1.0 0.21875 0.90625 0.59943 1.0000 + C C84 1.0 0.25000 0.93750 0.59943 1.0000 + C C85 1.0 0.28125 0.96875 0.59943 1.0000 + C C86 1.0 0.31250 0.00000 0.59943 1.0000 + C C87 1.0 0.34375 0.03125 0.59943 1.0000 + C C88 1.0 0.37500 0.06250 0.59943 1.0000 + C C89 1.0 0.40625 0.09375 0.59943 1.0000 + C C90 1.0 0.43750 0.12500 0.59943 1.0000 + C C91 1.0 0.46875 0.15625 0.59943 1.0000 + C C92 1.0 0.50000 0.18750 0.59943 1.0000 + C C93 1.0 0.53125 0.21875 0.59943 1.0000 + C C94 1.0 0.56250 0.25000 0.59943 1.0000 + C C95 1.0 0.59375 0.28125 0.59943 1.0000 + C C96 1.0 0.62500 0.31250 0.59943 1.0000 + C C97 1.0 0.18750 0.81250 0.59943 1.0000 + C C98 1.0 0.21875 0.84375 0.59943 1.0000 + C C99 1.0 0.25000 0.87500 0.59943 1.0000 + C C100 1.0 0.28125 0.90625 0.59943 1.0000 + C C101 1.0 0.31250 0.93750 0.59943 1.0000 + C C102 1.0 0.34375 0.96875 0.59943 1.0000 + C C103 1.0 0.37500 0.00000 0.59943 1.0000 + C C104 1.0 0.40625 0.03125 0.59943 1.0000 + C C105 1.0 0.43750 0.06250 0.59943 1.0000 + C C106 1.0 0.46875 0.09375 0.59943 1.0000 + C C107 1.0 0.50000 0.12500 0.59943 1.0000 + C C108 1.0 0.53125 0.15625 0.59943 1.0000 + C C109 1.0 0.56250 0.18750 0.59943 1.0000 + C C110 1.0 0.59375 0.21875 0.59943 1.0000 + C C111 1.0 0.62500 0.25000 0.59943 1.0000 + C C112 1.0 0.65625 0.28125 0.59943 1.0000 + C C113 1.0 0.21875 0.78125 0.59943 1.0000 + C C114 1.0 0.25000 0.81250 0.59943 1.0000 + C C115 1.0 0.28125 0.84375 0.59943 1.0000 + C C116 1.0 0.31250 0.87500 0.59943 1.0000 + C C117 1.0 0.34375 0.90625 0.59943 1.0000 + C C118 1.0 0.37500 0.93750 0.59943 1.0000 + C C119 1.0 0.40625 0.96875 0.59943 1.0000 + C C120 1.0 0.43750 0.00000 0.59943 1.0000 + C C121 1.0 0.46875 0.03125 0.59943 1.0000 + C C122 1.0 0.50000 0.06250 0.59943 1.0000 + C C123 1.0 0.53125 0.09375 0.59943 1.0000 + 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0.45893 0.40625 0.42801 1.0000 + Cl Cl527 1.0 0.49018 0.43750 0.42801 1.0000 + Cl Cl528 1.0 0.52143 0.46875 0.42801 1.0000 + Cl Cl529 1.0 0.08393 0.96875 0.42801 1.0000 + Cl Cl530 1.0 0.11518 0.00000 0.42801 1.0000 + Cl Cl531 1.0 0.14643 0.03125 0.42801 1.0000 + Cl Cl532 1.0 0.17768 0.06250 0.42801 1.0000 + Cl Cl533 1.0 0.20893 0.09375 0.42801 1.0000 + Cl Cl534 1.0 0.24018 0.12500 0.42801 1.0000 + Cl Cl535 1.0 0.27143 0.15625 0.42801 1.0000 + Cl Cl536 1.0 0.30268 0.18750 0.42801 1.0000 + Cl Cl537 1.0 0.33393 0.21875 0.42801 1.0000 + Cl Cl538 1.0 0.36518 0.25000 0.42801 1.0000 + Cl Cl539 1.0 0.39643 0.28125 0.42801 1.0000 + Cl Cl540 1.0 0.42768 0.31250 0.42801 1.0000 + Cl Cl541 1.0 0.45893 0.34375 0.42801 1.0000 + Cl Cl542 1.0 0.49018 0.37500 0.42801 1.0000 + Cl Cl543 1.0 0.52143 0.40625 0.42801 1.0000 + Cl Cl544 1.0 0.55268 0.43750 0.42801 1.0000 + Cl Cl545 1.0 0.11518 0.93750 0.42801 1.0000 + Cl Cl546 1.0 0.14643 0.96875 0.42801 1.0000 + Cl Cl547 1.0 0.17768 0.00000 0.42801 1.0000 + Cl Cl548 1.0 0.20893 0.03125 0.42801 1.0000 + Cl Cl549 1.0 0.24018 0.06250 0.42801 1.0000 + Cl Cl550 1.0 0.27143 0.09375 0.42801 1.0000 + Cl Cl551 1.0 0.30268 0.12500 0.42801 1.0000 + Cl Cl552 1.0 0.33393 0.15625 0.42801 1.0000 + Cl Cl553 1.0 0.36518 0.18750 0.42801 1.0000 + Cl Cl554 1.0 0.39643 0.21875 0.42801 1.0000 + Cl Cl555 1.0 0.42768 0.25000 0.42801 1.0000 + Cl Cl556 1.0 0.45893 0.28125 0.42801 1.0000 + Cl Cl557 1.0 0.49018 0.31250 0.42801 1.0000 + Cl Cl558 1.0 0.52143 0.34375 0.42801 1.0000 + Cl Cl559 1.0 0.55268 0.37500 0.42801 1.0000 + Cl Cl560 1.0 0.58393 0.40625 0.42801 1.0000 + Cl Cl561 1.0 0.14643 0.90625 0.42801 1.0000 + Cl Cl562 1.0 0.17768 0.93750 0.42801 1.0000 + Cl Cl563 1.0 0.20893 0.96875 0.42801 1.0000 + Cl Cl564 1.0 0.24018 0.00000 0.42801 1.0000 + Cl Cl565 1.0 0.27143 0.03125 0.42801 1.0000 + Cl Cl566 1.0 0.30268 0.06250 0.42801 1.0000 + Cl Cl567 1.0 0.33393 0.09375 0.42801 1.0000 + Cl Cl568 1.0 0.36518 0.12500 0.42801 1.0000 + Cl Cl569 1.0 0.39643 0.15625 0.42801 1.0000 + Cl Cl570 1.0 0.42768 0.18750 0.42801 1.0000 + Cl Cl571 1.0 0.45893 0.21875 0.42801 1.0000 + Cl Cl572 1.0 0.49018 0.25000 0.42801 1.0000 + Cl Cl573 1.0 0.52143 0.28125 0.42801 1.0000 + Cl Cl574 1.0 0.55268 0.31250 0.42801 1.0000 + Cl Cl575 1.0 0.58393 0.34375 0.42801 1.0000 + Cl Cl576 1.0 0.61518 0.37500 0.42801 1.0000 + Cl Cl577 1.0 0.17768 0.87500 0.42801 1.0000 + Cl Cl578 1.0 0.20893 0.90625 0.42801 1.0000 + Cl Cl579 1.0 0.24018 0.93750 0.42801 1.0000 + Cl Cl580 1.0 0.27143 0.96875 0.42801 1.0000 + Cl Cl581 1.0 0.30268 0.00000 0.42801 1.0000 + Cl Cl582 1.0 0.33393 0.03125 0.42801 1.0000 + Cl Cl583 1.0 0.36518 0.06250 0.42801 1.0000 + Cl Cl584 1.0 0.39643 0.09375 0.42801 1.0000 + Cl Cl585 1.0 0.42768 0.12500 0.42801 1.0000 + Cl Cl586 1.0 0.45893 0.15625 0.42801 1.0000 + Cl Cl587 1.0 0.49018 0.18750 0.42801 1.0000 + Cl Cl588 1.0 0.52143 0.21875 0.42801 1.0000 + Cl Cl589 1.0 0.55268 0.25000 0.42801 1.0000 + Cl Cl590 1.0 0.58393 0.28125 0.42801 1.0000 + Cl Cl591 1.0 0.61518 0.31250 0.42801 1.0000 + Cl Cl592 1.0 0.64643 0.34375 0.42801 1.0000 + Cl Cl593 1.0 0.20893 0.84375 0.42801 1.0000 + Cl Cl594 1.0 0.24018 0.87500 0.42801 1.0000 + Cl Cl595 1.0 0.27143 0.90625 0.42801 1.0000 + Cl Cl596 1.0 0.30268 0.93750 0.42801 1.0000 + Cl Cl597 1.0 0.33393 0.96875 0.42801 1.0000 + Cl Cl598 1.0 0.36518 0.00000 0.42801 1.0000 + Cl Cl599 1.0 0.39643 0.03125 0.42801 1.0000 + Cl Cl600 1.0 0.42768 0.06250 0.42801 1.0000 + Cl Cl601 1.0 0.45893 0.09375 0.42801 1.0000 + Cl Cl602 1.0 0.49018 0.12500 0.42801 1.0000 + Cl Cl603 1.0 0.52143 0.15625 0.42801 1.0000 + Cl Cl604 1.0 0.55268 0.18750 0.42801 1.0000 + Cl Cl605 1.0 0.58393 0.21875 0.42801 1.0000 + Cl Cl606 1.0 0.61518 0.25000 0.42801 1.0000 + Cl Cl607 1.0 0.64643 0.28125 0.42801 1.0000 + Cl Cl608 1.0 0.67768 0.31250 0.42801 1.0000 + Cl Cl609 1.0 0.24018 0.81250 0.42801 1.0000 + Cl Cl610 1.0 0.27143 0.84375 0.42801 1.0000 + Cl Cl611 1.0 0.30268 0.87500 0.42801 1.0000 + Cl Cl612 1.0 0.33393 0.90625 0.42801 1.0000 + Cl Cl613 1.0 0.36518 0.93750 0.42801 1.0000 + Cl Cl614 1.0 0.39643 0.96875 0.42801 1.0000 + Cl Cl615 1.0 0.42768 0.00000 0.42801 1.0000 + Cl Cl616 1.0 0.45893 0.03125 0.42801 1.0000 + Cl Cl617 1.0 0.49018 0.06250 0.42801 1.0000 + Cl Cl618 1.0 0.52143 0.09375 0.42801 1.0000 + Cl Cl619 1.0 0.55268 0.12500 0.42801 1.0000 + Cl Cl620 1.0 0.58393 0.15625 0.42801 1.0000 + Cl Cl621 1.0 0.61518 0.18750 0.42801 1.0000 + Cl Cl622 1.0 0.64643 0.21875 0.42801 1.0000 + Cl Cl623 1.0 0.67768 0.25000 0.42801 1.0000 + Cl Cl624 1.0 0.70893 0.28125 0.42801 1.0000 + Cl Cl625 1.0 0.27143 0.78125 0.42801 1.0000 + Cl Cl626 1.0 0.30268 0.81250 0.42801 1.0000 + Cl Cl627 1.0 0.33393 0.84375 0.42801 1.0000 + Cl Cl628 1.0 0.36518 0.87500 0.42801 1.0000 + Cl Cl629 1.0 0.39643 0.90625 0.42801 1.0000 + Cl Cl630 1.0 0.42768 0.93750 0.42801 1.0000 + Cl Cl631 1.0 0.45893 0.96875 0.42801 1.0000 + Cl Cl632 1.0 0.49018 0.00000 0.42801 1.0000 + Cl Cl633 1.0 0.52143 0.03125 0.42801 1.0000 + Cl Cl634 1.0 0.55268 0.06250 0.42801 1.0000 + Cl Cl635 1.0 0.58393 0.09375 0.42801 1.0000 + Cl Cl636 1.0 0.61518 0.12500 0.42801 1.0000 + Cl Cl637 1.0 0.64643 0.15625 0.42801 1.0000 + Cl Cl638 1.0 0.67768 0.18750 0.42801 1.0000 + Cl Cl639 1.0 0.70893 0.21875 0.42801 1.0000 + Cl Cl640 1.0 0.74018 0.25000 0.42801 1.0000 + Cl Cl641 1.0 0.30268 0.75000 0.42801 1.0000 + Cl Cl642 1.0 0.33393 0.78125 0.42801 1.0000 + Cl Cl643 1.0 0.36518 0.81250 0.42801 1.0000 + Cl Cl644 1.0 0.39643 0.84375 0.42801 1.0000 + Cl Cl645 1.0 0.42768 0.87500 0.42801 1.0000 + Cl Cl646 1.0 0.45893 0.90625 0.42801 1.0000 + Cl Cl647 1.0 0.49018 0.93750 0.42801 1.0000 + Cl Cl648 1.0 0.52143 0.96875 0.42801 1.0000 + Cl Cl649 1.0 0.55268 0.00000 0.42801 1.0000 + Cl Cl650 1.0 0.58393 0.03125 0.42801 1.0000 + Cl Cl651 1.0 0.61518 0.06250 0.42801 1.0000 + Cl Cl652 1.0 0.64643 0.09375 0.42801 1.0000 + Cl Cl653 1.0 0.67768 0.12500 0.42801 1.0000 + Cl Cl654 1.0 0.70893 0.15625 0.42801 1.0000 + Cl Cl655 1.0 0.74018 0.18750 0.42801 1.0000 + Cl Cl656 1.0 0.77143 0.21875 0.42801 1.0000 + Cl Cl657 1.0 0.33393 0.71875 0.42801 1.0000 + Cl Cl658 1.0 0.36518 0.75000 0.42801 1.0000 + Cl Cl659 1.0 0.39643 0.78125 0.42801 1.0000 + Cl Cl660 1.0 0.42768 0.81250 0.42801 1.0000 + Cl Cl661 1.0 0.45893 0.84375 0.42801 1.0000 + Cl Cl662 1.0 0.49018 0.87500 0.42801 1.0000 + Cl Cl663 1.0 0.52143 0.90625 0.42801 1.0000 + Cl Cl664 1.0 0.55268 0.93750 0.42801 1.0000 + Cl Cl665 1.0 0.58393 0.96875 0.42801 1.0000 + Cl Cl666 1.0 0.61518 0.00000 0.42801 1.0000 + Cl Cl667 1.0 0.64643 0.03125 0.42801 1.0000 + Cl Cl668 1.0 0.67768 0.06250 0.42801 1.0000 + Cl Cl669 1.0 0.70893 0.09375 0.42801 1.0000 + Cl Cl670 1.0 0.74018 0.12500 0.42801 1.0000 + Cl Cl671 1.0 0.77143 0.15625 0.42801 1.0000 + Cl Cl672 1.0 0.80268 0.18750 0.42801 1.0000 + Cl Cl673 1.0 0.36518 0.68750 0.42801 1.0000 + Cl Cl674 1.0 0.39643 0.71875 0.42801 1.0000 + Cl Cl675 1.0 0.42768 0.75000 0.42801 1.0000 + Cl Cl676 1.0 0.45893 0.78125 0.42801 1.0000 + Cl Cl677 1.0 0.49018 0.81250 0.42801 1.0000 + Cl Cl678 1.0 0.52143 0.84375 0.42801 1.0000 + Cl Cl679 1.0 0.55268 0.87500 0.42801 1.0000 + Cl Cl680 1.0 0.58393 0.90625 0.42801 1.0000 + Cl Cl681 1.0 0.61518 0.93750 0.42801 1.0000 + Cl Cl682 1.0 0.64643 0.96875 0.42801 1.0000 + Cl Cl683 1.0 0.67768 0.00000 0.42801 1.0000 + Cl Cl684 1.0 0.70893 0.03125 0.42801 1.0000 + Cl Cl685 1.0 0.74018 0.06250 0.42801 1.0000 + Cl Cl686 1.0 0.77143 0.09375 0.42801 1.0000 + Cl Cl687 1.0 0.80268 0.12500 0.42801 1.0000 + Cl Cl688 1.0 0.83393 0.15625 0.42801 1.0000 + Cl Cl689 1.0 0.39643 0.65625 0.42801 1.0000 + Cl Cl690 1.0 0.42768 0.68750 0.42801 1.0000 + Cl Cl691 1.0 0.45893 0.71875 0.42801 1.0000 + Cl Cl692 1.0 0.49018 0.75000 0.42801 1.0000 + Cl Cl693 1.0 0.52143 0.78125 0.42801 1.0000 + Cl Cl694 1.0 0.55268 0.81250 0.42801 1.0000 + Cl Cl695 1.0 0.58393 0.84375 0.42801 1.0000 + Cl Cl696 1.0 0.61518 0.87500 0.42801 1.0000 + Cl Cl697 1.0 0.64643 0.90625 0.42801 1.0000 + Cl Cl698 1.0 0.67768 0.93750 0.42801 1.0000 + Cl Cl699 1.0 0.70893 0.96875 0.42801 1.0000 + Cl Cl700 1.0 0.74018 0.00000 0.42801 1.0000 + Cl Cl701 1.0 0.77143 0.03125 0.42801 1.0000 + Cl Cl702 1.0 0.80268 0.06250 0.42801 1.0000 + Cl Cl703 1.0 0.83393 0.09375 0.42801 1.0000 + Cl Cl704 1.0 0.86518 0.12500 0.42801 1.0000 + Cl Cl705 1.0 0.42768 0.62500 0.42801 1.0000 + Cl Cl706 1.0 0.45893 0.65625 0.42801 1.0000 + Cl Cl707 1.0 0.49018 0.68750 0.42801 1.0000 + Cl Cl708 1.0 0.52143 0.71875 0.42801 1.0000 + Cl Cl709 1.0 0.55268 0.75000 0.42801 1.0000 + Cl Cl710 1.0 0.58393 0.78125 0.42801 1.0000 + Cl Cl711 1.0 0.61518 0.81250 0.42801 1.0000 + Cl Cl712 1.0 0.64643 0.84375 0.42801 1.0000 + Cl Cl713 1.0 0.67768 0.87500 0.42801 1.0000 + Cl Cl714 1.0 0.70893 0.90625 0.42801 1.0000 + Cl Cl715 1.0 0.74018 0.93750 0.42801 1.0000 + Cl Cl716 1.0 0.77143 0.96875 0.42801 1.0000 + Cl Cl717 1.0 0.80268 0.00000 0.42801 1.0000 + Cl Cl718 1.0 0.83393 0.03125 0.42801 1.0000 + Cl Cl719 1.0 0.86518 0.06250 0.42801 1.0000 + Cl Cl720 1.0 0.89643 0.09375 0.42801 1.0000 + Cl Cl721 1.0 0.45893 0.59375 0.42801 1.0000 + Cl Cl722 1.0 0.49018 0.62500 0.42801 1.0000 + Cl Cl723 1.0 0.52143 0.65625 0.42801 1.0000 + Cl Cl724 1.0 0.55268 0.68750 0.42801 1.0000 + Cl Cl725 1.0 0.58393 0.71875 0.42801 1.0000 + Cl Cl726 1.0 0.61518 0.75000 0.42801 1.0000 + Cl Cl727 1.0 0.64643 0.78125 0.42801 1.0000 + Cl Cl728 1.0 0.67768 0.81250 0.42801 1.0000 + Cl Cl729 1.0 0.70893 0.84375 0.42801 1.0000 + Cl Cl730 1.0 0.74018 0.87500 0.42801 1.0000 + Cl Cl731 1.0 0.77143 0.90625 0.42801 1.0000 + Cl Cl732 1.0 0.80268 0.93750 0.42801 1.0000 + Cl Cl733 1.0 0.83393 0.96875 0.42801 1.0000 + Cl Cl734 1.0 0.86518 0.00000 0.42801 1.0000 + Cl Cl735 1.0 0.89643 0.03125 0.42801 1.0000 + Cl Cl736 1.0 0.92768 0.06250 0.42801 1.0000 + Cl Cl737 1.0 0.49018 0.56250 0.42801 1.0000 + Cl Cl738 1.0 0.52143 0.59375 0.42801 1.0000 + Cl Cl739 1.0 0.55268 0.62500 0.42801 1.0000 + Cl Cl740 1.0 0.58393 0.65625 0.42801 1.0000 + Cl Cl741 1.0 0.61518 0.68750 0.42801 1.0000 + Cl Cl742 1.0 0.64643 0.71875 0.42801 1.0000 + Cl Cl743 1.0 0.67768 0.75000 0.42801 1.0000 + Cl Cl744 1.0 0.70893 0.78125 0.42801 1.0000 + Cl Cl745 1.0 0.74018 0.81250 0.42801 1.0000 + Cl Cl746 1.0 0.77143 0.84375 0.42801 1.0000 + Cl Cl747 1.0 0.80268 0.87500 0.42801 1.0000 + Cl Cl748 1.0 0.83393 0.90625 0.42801 1.0000 + Cl Cl749 1.0 0.86518 0.93750 0.42801 1.0000 + Cl Cl750 1.0 0.89643 0.96875 0.42801 1.0000 + Cl Cl751 1.0 0.92768 0.00000 0.42801 1.0000 + Cl Cl752 1.0 0.95893 0.03125 0.42801 1.0000 + Cl Cl753 1.0 0.52143 0.53125 0.42801 1.0000 + Cl Cl754 1.0 0.55268 0.56250 0.42801 1.0000 + Cl Cl755 1.0 0.58393 0.59375 0.42801 1.0000 + Cl Cl756 1.0 0.61518 0.62500 0.42801 1.0000 + Cl Cl757 1.0 0.64643 0.65625 0.42801 1.0000 + Cl Cl758 1.0 0.67768 0.68750 0.42801 1.0000 + Cl Cl759 1.0 0.70893 0.71875 0.42801 1.0000 + Cl Cl760 1.0 0.74018 0.75000 0.42801 1.0000 + Cl Cl761 1.0 0.77143 0.78125 0.42801 1.0000 + Cl Cl762 1.0 0.80268 0.81250 0.42801 1.0000 + Cl Cl763 1.0 0.83393 0.84375 0.42801 1.0000 + Cl Cl764 1.0 0.86518 0.87500 0.42801 1.0000 + Cl Cl765 1.0 0.89643 0.90625 0.42801 1.0000 + Cl Cl766 1.0 0.92768 0.93750 0.42801 1.0000 + Cl Cl767 1.0 0.95893 0.96875 0.42801 1.0000 + Cl Cl768 1.0 0.99018 0.00000 0.42801 1.0000 + Sn Sn257 1.0 0.52083 0.50000 0.40057 1.0000 + Sn Sn258 1.0 0.55208 0.53125 0.40057 1.0000 + Sn Sn259 1.0 0.58333 0.56250 0.40057 1.0000 + Sn Sn260 1.0 0.61458 0.59375 0.40057 1.0000 + Sn Sn261 1.0 0.64583 0.62500 0.40057 1.0000 + Sn Sn262 1.0 0.67708 0.65625 0.40057 1.0000 + Sn Sn263 1.0 0.70833 0.68750 0.40057 1.0000 + Sn Sn264 1.0 0.73958 0.71875 0.40057 1.0000 + Sn Sn265 1.0 0.77083 0.75000 0.40057 1.0000 + Sn Sn266 1.0 0.80208 0.78125 0.40057 1.0000 + Sn Sn267 1.0 0.83333 0.81250 0.40057 1.0000 + Sn Sn268 1.0 0.86458 0.84375 0.40057 1.0000 + Sn Sn269 1.0 0.89583 0.87500 0.40057 1.0000 + Sn Sn270 1.0 0.92708 0.90625 0.40057 1.0000 + Sn Sn271 1.0 0.95833 0.93750 0.40057 1.0000 + Sn Sn272 1.0 0.98958 0.96875 0.40057 1.0000 + Sn Sn273 1.0 0.55208 0.46875 0.40057 1.0000 + Sn Sn274 1.0 0.58333 0.50000 0.40057 1.0000 + Sn Sn275 1.0 0.61458 0.53125 0.40057 1.0000 + Sn Sn276 1.0 0.64583 0.56250 0.40057 1.0000 + Sn Sn277 1.0 0.67708 0.59375 0.40057 1.0000 + Sn Sn278 1.0 0.70833 0.62500 0.40057 1.0000 + Sn Sn279 1.0 0.73958 0.65625 0.40057 1.0000 + Sn Sn280 1.0 0.77083 0.68750 0.40057 1.0000 + Sn Sn281 1.0 0.80208 0.71875 0.40057 1.0000 + Sn Sn282 1.0 0.83333 0.75000 0.40057 1.0000 + Sn Sn283 1.0 0.86458 0.78125 0.40057 1.0000 + Sn Sn284 1.0 0.89583 0.81250 0.40057 1.0000 + Sn Sn285 1.0 0.92708 0.84375 0.40057 1.0000 + Sn Sn286 1.0 0.95833 0.87500 0.40057 1.0000 + Sn Sn287 1.0 0.98958 0.90625 0.40057 1.0000 + Sn Sn288 1.0 0.02083 0.93750 0.40057 1.0000 + Sn Sn289 1.0 0.58333 0.43750 0.40057 1.0000 + Sn Sn290 1.0 0.61458 0.46875 0.40057 1.0000 + Sn Sn291 1.0 0.64583 0.50000 0.40057 1.0000 + Sn Sn292 1.0 0.67708 0.53125 0.40057 1.0000 + Sn Sn293 1.0 0.70833 0.56250 0.40057 1.0000 + Sn Sn294 1.0 0.73958 0.59375 0.40057 1.0000 + Sn Sn295 1.0 0.77083 0.62500 0.40057 1.0000 + Sn Sn296 1.0 0.80208 0.65625 0.40057 1.0000 + Sn Sn297 1.0 0.83333 0.68750 0.40057 1.0000 + Sn Sn298 1.0 0.86458 0.71875 0.40057 1.0000 + Sn Sn299 1.0 0.89583 0.75000 0.40057 1.0000 + Sn Sn300 1.0 0.92708 0.78125 0.40057 1.0000 + Sn Sn301 1.0 0.95833 0.81250 0.40057 1.0000 + Sn Sn302 1.0 0.98958 0.84375 0.40057 1.0000 + Sn Sn303 1.0 0.02083 0.87500 0.40057 1.0000 + Sn Sn304 1.0 0.05208 0.90625 0.40057 1.0000 + Sn Sn305 1.0 0.61458 0.40625 0.40057 1.0000 + Sn Sn306 1.0 0.64583 0.43750 0.40057 1.0000 + Sn Sn307 1.0 0.67708 0.46875 0.40057 1.0000 + Sn Sn308 1.0 0.70833 0.50000 0.40057 1.0000 + Sn Sn309 1.0 0.73958 0.53125 0.40057 1.0000 + Sn Sn310 1.0 0.77083 0.56250 0.40057 1.0000 + Sn Sn311 1.0 0.80208 0.59375 0.40057 1.0000 + Sn Sn312 1.0 0.83333 0.62500 0.40057 1.0000 + Sn Sn313 1.0 0.86458 0.65625 0.40057 1.0000 + Sn Sn314 1.0 0.89583 0.68750 0.40057 1.0000 + Sn Sn315 1.0 0.92708 0.71875 0.40057 1.0000 + Sn Sn316 1.0 0.95833 0.75000 0.40057 1.0000 + Sn Sn317 1.0 0.98958 0.78125 0.40057 1.0000 + Sn Sn318 1.0 0.02083 0.81250 0.40057 1.0000 + Sn Sn319 1.0 0.05208 0.84375 0.40057 1.0000 + Sn Sn320 1.0 0.08333 0.87500 0.40057 1.0000 + Sn Sn321 1.0 0.64583 0.37500 0.40057 1.0000 + Sn Sn322 1.0 0.67708 0.40625 0.40057 1.0000 + Sn Sn323 1.0 0.70833 0.43750 0.40057 1.0000 + Sn Sn324 1.0 0.73958 0.46875 0.40057 1.0000 + Sn Sn325 1.0 0.77083 0.50000 0.40057 1.0000 + Sn Sn326 1.0 0.80208 0.53125 0.40057 1.0000 + Sn Sn327 1.0 0.83333 0.56250 0.40057 1.0000 + Sn Sn328 1.0 0.86458 0.59375 0.40057 1.0000 + Sn Sn329 1.0 0.89583 0.62500 0.40057 1.0000 + Sn Sn330 1.0 0.92708 0.65625 0.40057 1.0000 + Sn Sn331 1.0 0.95833 0.68750 0.40057 1.0000 + Sn Sn332 1.0 0.98958 0.71875 0.40057 1.0000 + Sn Sn333 1.0 0.02083 0.75000 0.40057 1.0000 + Sn Sn334 1.0 0.05208 0.78125 0.40057 1.0000 + Sn Sn335 1.0 0.08333 0.81250 0.40057 1.0000 + Sn Sn336 1.0 0.11458 0.84375 0.40057 1.0000 + Sn Sn337 1.0 0.67708 0.34375 0.40057 1.0000 + Sn Sn338 1.0 0.70833 0.37500 0.40057 1.0000 + Sn Sn339 1.0 0.73958 0.40625 0.40057 1.0000 + Sn Sn340 1.0 0.77083 0.43750 0.40057 1.0000 + Sn Sn341 1.0 0.80208 0.46875 0.40057 1.0000 + Sn Sn342 1.0 0.83333 0.50000 0.40057 1.0000 + Sn Sn343 1.0 0.86458 0.53125 0.40057 1.0000 + Sn Sn344 1.0 0.89583 0.56250 0.40057 1.0000 + Sn Sn345 1.0 0.92708 0.59375 0.40057 1.0000 + Sn Sn346 1.0 0.95833 0.62500 0.40057 1.0000 + Sn Sn347 1.0 0.98958 0.65625 0.40057 1.0000 + Sn Sn348 1.0 0.02083 0.68750 0.40057 1.0000 + Sn Sn349 1.0 0.05208 0.71875 0.40057 1.0000 + Sn Sn350 1.0 0.08333 0.75000 0.40057 1.0000 + Sn Sn351 1.0 0.11458 0.78125 0.40057 1.0000 + Sn Sn352 1.0 0.14583 0.81250 0.40057 1.0000 + Sn Sn353 1.0 0.70833 0.31250 0.40057 1.0000 + Sn Sn354 1.0 0.73958 0.34375 0.40057 1.0000 + Sn Sn355 1.0 0.77083 0.37500 0.40057 1.0000 + Sn Sn356 1.0 0.80208 0.40625 0.40057 1.0000 + Sn Sn357 1.0 0.83333 0.43750 0.40057 1.0000 + Sn Sn358 1.0 0.86458 0.46875 0.40057 1.0000 + Sn Sn359 1.0 0.89583 0.50000 0.40057 1.0000 + Sn Sn360 1.0 0.92708 0.53125 0.40057 1.0000 + Sn Sn361 1.0 0.95833 0.56250 0.40057 1.0000 + Sn Sn362 1.0 0.98958 0.59375 0.40057 1.0000 + Sn Sn363 1.0 0.02083 0.62500 0.40057 1.0000 + Sn Sn364 1.0 0.05208 0.65625 0.40057 1.0000 + Sn Sn365 1.0 0.08333 0.68750 0.40057 1.0000 + Sn Sn366 1.0 0.11458 0.71875 0.40057 1.0000 + Sn Sn367 1.0 0.14583 0.75000 0.40057 1.0000 + Sn Sn368 1.0 0.17708 0.78125 0.40057 1.0000 + Sn Sn369 1.0 0.73958 0.28125 0.40057 1.0000 + Sn Sn370 1.0 0.77083 0.31250 0.40057 1.0000 + Sn Sn371 1.0 0.80208 0.34375 0.40057 1.0000 + Sn Sn372 1.0 0.83333 0.37500 0.40057 1.0000 + Sn Sn373 1.0 0.86458 0.40625 0.40057 1.0000 + Sn Sn374 1.0 0.89583 0.43750 0.40057 1.0000 + Sn Sn375 1.0 0.92708 0.46875 0.40057 1.0000 + Sn Sn376 1.0 0.95833 0.50000 0.40057 1.0000 + Sn Sn377 1.0 0.98958 0.53125 0.40057 1.0000 + Sn Sn378 1.0 0.02083 0.56250 0.40057 1.0000 + Sn Sn379 1.0 0.05208 0.59375 0.40057 1.0000 + Sn Sn380 1.0 0.08333 0.62500 0.40057 1.0000 + Sn Sn381 1.0 0.11458 0.65625 0.40057 1.0000 + Sn Sn382 1.0 0.14583 0.68750 0.40057 1.0000 + Sn Sn383 1.0 0.17708 0.71875 0.40057 1.0000 + Sn Sn384 1.0 0.20833 0.75000 0.40057 1.0000 + Sn Sn385 1.0 0.77083 0.25000 0.40057 1.0000 + Sn Sn386 1.0 0.80208 0.28125 0.40057 1.0000 + Sn Sn387 1.0 0.83333 0.31250 0.40057 1.0000 + Sn Sn388 1.0 0.86458 0.34375 0.40057 1.0000 + Sn Sn389 1.0 0.89583 0.37500 0.40057 1.0000 + Sn Sn390 1.0 0.92708 0.40625 0.40057 1.0000 + Sn Sn391 1.0 0.95833 0.43750 0.40057 1.0000 + Sn Sn392 1.0 0.98958 0.46875 0.40057 1.0000 + Sn Sn393 1.0 0.02083 0.50000 0.40057 1.0000 + Sn Sn394 1.0 0.05208 0.53125 0.40057 1.0000 + Sn Sn395 1.0 0.08333 0.56250 0.40057 1.0000 + Sn Sn396 1.0 0.11458 0.59375 0.40057 1.0000 + Sn Sn397 1.0 0.14583 0.62500 0.40057 1.0000 + Sn Sn398 1.0 0.17708 0.65625 0.40057 1.0000 + Sn Sn399 1.0 0.20833 0.68750 0.40057 1.0000 + Sn Sn400 1.0 0.23958 0.71875 0.40057 1.0000 + Sn Sn401 1.0 0.80208 0.21875 0.40057 1.0000 + Sn Sn402 1.0 0.83333 0.25000 0.40057 1.0000 + Sn Sn403 1.0 0.86458 0.28125 0.40057 1.0000 + Sn Sn404 1.0 0.89583 0.31250 0.40057 1.0000 + Sn Sn405 1.0 0.92708 0.34375 0.40057 1.0000 + Sn Sn406 1.0 0.95833 0.37500 0.40057 1.0000 + Sn Sn407 1.0 0.98958 0.40625 0.40057 1.0000 + Sn Sn408 1.0 0.02083 0.43750 0.40057 1.0000 + Sn Sn409 1.0 0.05208 0.46875 0.40057 1.0000 + Sn Sn410 1.0 0.08333 0.50000 0.40057 1.0000 + Sn Sn411 1.0 0.11458 0.53125 0.40057 1.0000 + Sn Sn412 1.0 0.14583 0.56250 0.40057 1.0000 + Sn Sn413 1.0 0.17708 0.59375 0.40057 1.0000 + Sn Sn414 1.0 0.20833 0.62500 0.40057 1.0000 + Sn Sn415 1.0 0.23958 0.65625 0.40057 1.0000 + Sn Sn416 1.0 0.27083 0.68750 0.40057 1.0000 + Sn Sn417 1.0 0.83333 0.18750 0.40057 1.0000 + Sn Sn418 1.0 0.86458 0.21875 0.40057 1.0000 + Sn Sn419 1.0 0.89583 0.25000 0.40057 1.0000 + Sn Sn420 1.0 0.92708 0.28125 0.40057 1.0000 + Sn Sn421 1.0 0.95833 0.31250 0.40057 1.0000 + Sn Sn422 1.0 0.98958 0.34375 0.40057 1.0000 + Sn Sn423 1.0 0.02083 0.37500 0.40057 1.0000 + Sn Sn424 1.0 0.05208 0.40625 0.40057 1.0000 + Sn Sn425 1.0 0.08333 0.43750 0.40057 1.0000 + Sn Sn426 1.0 0.11458 0.46875 0.40057 1.0000 + Sn Sn427 1.0 0.14583 0.50000 0.40057 1.0000 + Sn Sn428 1.0 0.17708 0.53125 0.40057 1.0000 + Sn Sn429 1.0 0.20833 0.56250 0.40057 1.0000 + Sn Sn430 1.0 0.23958 0.59375 0.40057 1.0000 + Sn Sn431 1.0 0.27083 0.62500 0.40057 1.0000 + Sn Sn432 1.0 0.30208 0.65625 0.40057 1.0000 + Sn Sn433 1.0 0.86458 0.15625 0.40057 1.0000 + Sn Sn434 1.0 0.89583 0.18750 0.40057 1.0000 + Sn Sn435 1.0 0.92708 0.21875 0.40057 1.0000 + Sn Sn436 1.0 0.95833 0.25000 0.40057 1.0000 + Sn Sn437 1.0 0.98958 0.28125 0.40057 1.0000 + Sn Sn438 1.0 0.02083 0.31250 0.40057 1.0000 + Sn Sn439 1.0 0.05208 0.34375 0.40057 1.0000 + Sn Sn440 1.0 0.08333 0.37500 0.40057 1.0000 + Sn Sn441 1.0 0.11458 0.40625 0.40057 1.0000 + Sn Sn442 1.0 0.14583 0.43750 0.40057 1.0000 + Sn Sn443 1.0 0.17708 0.46875 0.40057 1.0000 + Sn Sn444 1.0 0.20833 0.50000 0.40057 1.0000 + Sn Sn445 1.0 0.23958 0.53125 0.40057 1.0000 + Sn Sn446 1.0 0.27083 0.56250 0.40057 1.0000 + Sn Sn447 1.0 0.30208 0.59375 0.40057 1.0000 + Sn Sn448 1.0 0.33333 0.62500 0.40057 1.0000 + Sn Sn449 1.0 0.89583 0.12500 0.40057 1.0000 + Sn Sn450 1.0 0.92708 0.15625 0.40057 1.0000 + Sn Sn451 1.0 0.95833 0.18750 0.40057 1.0000 + Sn Sn452 1.0 0.98958 0.21875 0.40057 1.0000 + Sn Sn453 1.0 0.02083 0.25000 0.40057 1.0000 + Sn Sn454 1.0 0.05208 0.28125 0.40057 1.0000 + Sn Sn455 1.0 0.08333 0.31250 0.40057 1.0000 + Sn Sn456 1.0 0.11458 0.34375 0.40057 1.0000 + Sn Sn457 1.0 0.14583 0.37500 0.40057 1.0000 + Sn Sn458 1.0 0.17708 0.40625 0.40057 1.0000 + Sn Sn459 1.0 0.20833 0.43750 0.40057 1.0000 + Sn Sn460 1.0 0.23958 0.46875 0.40057 1.0000 + Sn Sn461 1.0 0.27083 0.50000 0.40057 1.0000 + Sn Sn462 1.0 0.30208 0.53125 0.40057 1.0000 + Sn Sn463 1.0 0.33333 0.56250 0.40057 1.0000 + Sn Sn464 1.0 0.36458 0.59375 0.40057 1.0000 + Sn Sn465 1.0 0.92708 0.09375 0.40057 1.0000 + Sn Sn466 1.0 0.95833 0.12500 0.40057 1.0000 + Sn Sn467 1.0 0.98958 0.15625 0.40057 1.0000 + Sn Sn468 1.0 0.02083 0.18750 0.40057 1.0000 + Sn Sn469 1.0 0.05208 0.21875 0.40057 1.0000 + Sn Sn470 1.0 0.08333 0.25000 0.40057 1.0000 + Sn Sn471 1.0 0.11458 0.28125 0.40057 1.0000 + Sn Sn472 1.0 0.14583 0.31250 0.40057 1.0000 + Sn Sn473 1.0 0.17708 0.34375 0.40057 1.0000 + Sn Sn474 1.0 0.20833 0.37500 0.40057 1.0000 + Sn Sn475 1.0 0.23958 0.40625 0.40057 1.0000 + Sn Sn476 1.0 0.27083 0.43750 0.40057 1.0000 + Sn Sn477 1.0 0.30208 0.46875 0.40057 1.0000 + Sn Sn478 1.0 0.33333 0.50000 0.40057 1.0000 + Sn Sn479 1.0 0.36458 0.53125 0.40057 1.0000 + Sn Sn480 1.0 0.39583 0.56250 0.40057 1.0000 + Sn Sn481 1.0 0.95833 0.06250 0.40057 1.0000 + Sn Sn482 1.0 0.98958 0.09375 0.40057 1.0000 + Sn Sn483 1.0 0.02083 0.12500 0.40057 1.0000 + Sn Sn484 1.0 0.05208 0.15625 0.40057 1.0000 + Sn Sn485 1.0 0.08333 0.18750 0.40057 1.0000 + Sn Sn486 1.0 0.11458 0.21875 0.40057 1.0000 + Sn Sn487 1.0 0.14583 0.25000 0.40057 1.0000 + Sn Sn488 1.0 0.17708 0.28125 0.40057 1.0000 + Sn Sn489 1.0 0.20833 0.31250 0.40057 1.0000 + Sn Sn490 1.0 0.23958 0.34375 0.40057 1.0000 + Sn Sn491 1.0 0.27083 0.37500 0.40057 1.0000 + Sn Sn492 1.0 0.30208 0.40625 0.40057 1.0000 + Sn Sn493 1.0 0.33333 0.43750 0.40057 1.0000 + Sn Sn494 1.0 0.36458 0.46875 0.40057 1.0000 + Sn Sn495 1.0 0.39583 0.50000 0.40057 1.0000 + Sn Sn496 1.0 0.42708 0.53125 0.40057 1.0000 + Sn Sn497 1.0 0.98958 0.03125 0.40057 1.0000 + Sn Sn498 1.0 0.02083 0.06250 0.40057 1.0000 + Sn Sn499 1.0 0.05208 0.09375 0.40057 1.0000 + Sn Sn500 1.0 0.08333 0.12500 0.40057 1.0000 + Sn Sn501 1.0 0.11458 0.15625 0.40057 1.0000 + Sn Sn502 1.0 0.14583 0.18750 0.40057 1.0000 + Sn Sn503 1.0 0.17708 0.21875 0.40057 1.0000 + Sn Sn504 1.0 0.20833 0.25000 0.40057 1.0000 + Sn Sn505 1.0 0.23958 0.28125 0.40057 1.0000 + Sn Sn506 1.0 0.27083 0.31250 0.40057 1.0000 + Sn Sn507 1.0 0.30208 0.34375 0.40057 1.0000 + Sn Sn508 1.0 0.33333 0.37500 0.40057 1.0000 + Sn Sn509 1.0 0.36458 0.40625 0.40057 1.0000 + Sn Sn510 1.0 0.39583 0.43750 0.40057 1.0000 + Sn Sn511 1.0 0.42708 0.46875 0.40057 1.0000 + Sn Sn512 1.0 0.45833 0.50000 0.40057 1.0000 + C C257 1.0 0.50000 0.50000 0.59943 1.0000 + C C258 1.0 0.53125 0.53125 0.59943 1.0000 + C C259 1.0 0.56250 0.56250 0.59943 1.0000 + C C260 1.0 0.09375 0.09375 0.59943 1.0000 + C C261 1.0 0.62500 0.62500 0.59943 1.0000 + C C262 1.0 0.65625 0.65625 0.59943 1.0000 + C C263 1.0 0.18750 0.18750 0.59943 1.0000 + C C264 1.0 0.71875 0.71875 0.59943 1.0000 + C C265 1.0 0.75000 0.75000 0.59943 1.0000 + C C266 1.0 0.78125 0.78125 0.59943 1.0000 + C C267 1.0 0.81250 0.81250 0.59943 1.0000 + C C268 1.0 0.84375 0.84375 0.59943 1.0000 + C C269 1.0 0.37500 0.37500 0.59943 1.0000 + C C270 1.0 0.40625 0.40625 0.59943 1.0000 + C C271 1.0 0.93750 0.93750 0.59943 1.0000 + C C272 1.0 0.46875 0.46875 0.59943 1.0000 + C C273 1.0 0.53125 0.46875 0.59943 1.0000 + C C274 1.0 0.56250 0.50000 0.59943 1.0000 + C C275 1.0 0.59375 0.53125 0.59943 1.0000 + C C276 1.0 0.62500 0.56250 0.59943 1.0000 + C C277 1.0 0.65625 0.59375 0.59943 1.0000 + C C278 1.0 0.68750 0.62500 0.59943 1.0000 + C C279 1.0 0.71875 0.65625 0.59943 1.0000 + C C280 1.0 0.75000 0.68750 0.59943 1.0000 + C C281 1.0 0.78125 0.71875 0.59943 1.0000 + C C282 1.0 0.81250 0.75000 0.59943 1.0000 + C C283 1.0 0.84375 0.78125 0.59943 1.0000 + C C284 1.0 0.87500 0.81250 0.59943 1.0000 + C C285 1.0 0.90625 0.84375 0.59943 1.0000 + C C286 1.0 0.93750 0.87500 0.59943 1.0000 + C C287 1.0 0.96875 0.90625 0.59943 1.0000 + C C288 1.0 0.00000 0.93750 0.59943 1.0000 + C C289 1.0 0.56250 0.43750 0.59943 1.0000 + C C290 1.0 0.59375 0.46875 0.59943 1.0000 + C C291 1.0 0.62500 0.50000 0.59943 1.0000 + C C292 1.0 0.65625 0.53125 0.59943 1.0000 + C C293 1.0 0.68750 0.56250 0.59943 1.0000 + C C294 1.0 0.71875 0.59375 0.59943 1.0000 + C C295 1.0 0.75000 0.62500 0.59943 1.0000 + C C296 1.0 0.78125 0.65625 0.59943 1.0000 + C C297 1.0 0.81250 0.68750 0.59943 1.0000 + C C298 1.0 0.84375 0.71875 0.59943 1.0000 + C C299 1.0 0.87500 0.75000 0.59943 1.0000 + C C300 1.0 0.90625 0.78125 0.59943 1.0000 + C C301 1.0 0.93750 0.81250 0.59943 1.0000 + C C302 1.0 0.96875 0.84375 0.59943 1.0000 + C C303 1.0 0.00000 0.87500 0.59943 1.0000 + C C304 1.0 0.03125 0.90625 0.59943 1.0000 + C C305 1.0 0.59375 0.40625 0.59943 1.0000 + C C306 1.0 0.62500 0.43750 0.59943 1.0000 + C C307 1.0 0.65625 0.46875 0.59943 1.0000 + C C308 1.0 0.68750 0.50000 0.59943 1.0000 + C C309 1.0 0.71875 0.53125 0.59943 1.0000 + C C310 1.0 0.75000 0.56250 0.59943 1.0000 + C C311 1.0 0.78125 0.59375 0.59943 1.0000 + C C312 1.0 0.81250 0.62500 0.59943 1.0000 + C C313 1.0 0.84375 0.65625 0.59943 1.0000 + C C314 1.0 0.87500 0.68750 0.59943 1.0000 + C C315 1.0 0.90625 0.71875 0.59943 1.0000 + C C316 1.0 0.93750 0.75000 0.59943 1.0000 + C C317 1.0 0.96875 0.78125 0.59943 1.0000 + C C318 1.0 0.00000 0.81250 0.59943 1.0000 + C C319 1.0 0.03125 0.84375 0.59943 1.0000 + C C320 1.0 0.06250 0.87500 0.59943 1.0000 + C C321 1.0 0.62500 0.37500 0.59943 1.0000 + C C322 1.0 0.65625 0.40625 0.59943 1.0000 + C C323 1.0 0.68750 0.43750 0.59943 1.0000 + C C324 1.0 0.71875 0.46875 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Cl Cl936 1.0 0.06741 0.42276 0.42801 1.0000 + Cl Cl937 1.0 0.09866 0.45401 0.42801 1.0000 + Cl Cl938 1.0 0.12991 0.48526 0.42801 1.0000 + Cl Cl939 1.0 0.16116 0.51651 0.42801 1.0000 + Cl Cl940 1.0 0.19241 0.54776 0.42801 1.0000 + Cl Cl941 1.0 0.22366 0.57901 0.42801 1.0000 + Cl Cl942 1.0 0.25491 0.61026 0.42801 1.0000 + Cl Cl943 1.0 0.28616 0.64151 0.42801 1.0000 + Cl Cl944 1.0 0.31741 0.67276 0.42801 1.0000 + Cl Cl945 1.0 0.87991 0.17276 0.42801 1.0000 + Cl Cl946 1.0 0.91116 0.20401 0.42801 1.0000 + Cl Cl947 1.0 0.94241 0.23526 0.42801 1.0000 + Cl Cl948 1.0 0.97366 0.26651 0.42801 1.0000 + Cl Cl949 1.0 0.00491 0.29776 0.42801 1.0000 + Cl Cl950 1.0 0.03616 0.32901 0.42801 1.0000 + Cl Cl951 1.0 0.06741 0.36026 0.42801 1.0000 + Cl Cl952 1.0 0.09866 0.39151 0.42801 1.0000 + Cl Cl953 1.0 0.12991 0.42276 0.42801 1.0000 + Cl Cl954 1.0 0.16116 0.45401 0.42801 1.0000 + Cl Cl955 1.0 0.19241 0.48526 0.42801 1.0000 + Cl Cl956 1.0 0.22366 0.51651 0.42801 1.0000 + Cl Cl957 1.0 0.25491 0.54776 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Cl Cl1001 1.0 0.22366 0.32901 0.42801 1.0000 + Cl Cl1002 1.0 0.25491 0.36026 0.42801 1.0000 + Cl Cl1003 1.0 0.28616 0.39151 0.42801 1.0000 + Cl Cl1004 1.0 0.31741 0.42276 0.42801 1.0000 + Cl Cl1005 1.0 0.34866 0.45401 0.42801 1.0000 + Cl Cl1006 1.0 0.37991 0.48526 0.42801 1.0000 + Cl Cl1007 1.0 0.41116 0.51651 0.42801 1.0000 + Cl Cl1008 1.0 0.44241 0.54776 0.42801 1.0000 + Cl Cl1009 1.0 0.00491 0.04776 0.42801 1.0000 + Cl Cl1010 1.0 0.03616 0.07901 0.42801 1.0000 + Cl Cl1011 1.0 0.06741 0.11026 0.42801 1.0000 + Cl Cl1012 1.0 0.09866 0.14151 0.42801 1.0000 + Cl Cl1013 1.0 0.12991 0.17276 0.42801 1.0000 + Cl Cl1014 1.0 0.16116 0.20401 0.42801 1.0000 + Cl Cl1015 1.0 0.19241 0.23526 0.42801 1.0000 + Cl Cl1016 1.0 0.22366 0.26651 0.42801 1.0000 + Cl Cl1017 1.0 0.25491 0.29776 0.42801 1.0000 + Cl Cl1018 1.0 0.28616 0.32901 0.42801 1.0000 + Cl Cl1019 1.0 0.31741 0.36026 0.42801 1.0000 + Cl Cl1020 1.0 0.34866 0.39151 0.42801 1.0000 + Cl Cl1021 1.0 0.37991 0.42276 0.42801 1.0000 + Cl Cl1022 1.0 0.41116 0.45401 0.42801 1.0000 + Cl Cl1023 1.0 0.44241 0.48526 0.42801 1.0000 + Cl Cl1024 1.0 0.47366 0.51651 0.42801 1.0000 + Cl Cl1025 1.0 0.53616 0.48349 0.42801 1.0000 + Cl Cl1026 1.0 0.56741 0.51474 0.42801 1.0000 + Cl Cl1027 1.0 0.59866 0.54599 0.42801 1.0000 + Cl Cl1028 1.0 0.62991 0.57724 0.42801 1.0000 + Cl Cl1029 1.0 0.66116 0.60849 0.42801 1.0000 + Cl Cl1030 1.0 0.69241 0.63974 0.42801 1.0000 + Cl Cl1031 1.0 0.72366 0.67099 0.42801 1.0000 + Cl Cl1032 1.0 0.75491 0.70224 0.42801 1.0000 + Cl Cl1033 1.0 0.78616 0.73349 0.42801 1.0000 + Cl Cl1034 1.0 0.81741 0.76474 0.42801 1.0000 + Cl Cl1035 1.0 0.84866 0.79599 0.42801 1.0000 + Cl Cl1036 1.0 0.87991 0.82724 0.42801 1.0000 + Cl Cl1037 1.0 0.91116 0.85849 0.42801 1.0000 + Cl Cl1038 1.0 0.94241 0.88974 0.42801 1.0000 + Cl Cl1039 1.0 0.97366 0.92099 0.42801 1.0000 + Cl Cl1040 1.0 0.00491 0.95224 0.42801 1.0000 + Cl Cl1041 1.0 0.56741 0.45224 0.42801 1.0000 + Cl Cl1042 1.0 0.59866 0.48349 0.42801 1.0000 + Cl Cl1043 1.0 0.62991 0.51474 0.42801 1.0000 + Cl Cl1044 1.0 0.66116 0.54599 0.42801 1.0000 + Cl Cl1045 1.0 0.69241 0.57724 0.42801 1.0000 + Cl Cl1046 1.0 0.72366 0.60849 0.42801 1.0000 + Cl Cl1047 1.0 0.75491 0.63974 0.42801 1.0000 + Cl Cl1048 1.0 0.78616 0.67099 0.42801 1.0000 + Cl Cl1049 1.0 0.81741 0.70224 0.42801 1.0000 + Cl Cl1050 1.0 0.84866 0.73349 0.42801 1.0000 + Cl Cl1051 1.0 0.87991 0.76474 0.42801 1.0000 + Cl Cl1052 1.0 0.91116 0.79599 0.42801 1.0000 + Cl Cl1053 1.0 0.94241 0.82724 0.42801 1.0000 + Cl Cl1054 1.0 0.97366 0.85849 0.42801 1.0000 + Cl Cl1055 1.0 0.00491 0.88974 0.42801 1.0000 + Cl Cl1056 1.0 0.03616 0.92099 0.42801 1.0000 + Cl Cl1057 1.0 0.59866 0.42099 0.42801 1.0000 + Cl Cl1058 1.0 0.62991 0.45224 0.42801 1.0000 + Cl Cl1059 1.0 0.66116 0.48349 0.42801 1.0000 + Cl Cl1060 1.0 0.69241 0.51474 0.42801 1.0000 + Cl Cl1061 1.0 0.72366 0.54599 0.42801 1.0000 + Cl Cl1062 1.0 0.75491 0.57724 0.42801 1.0000 + Cl Cl1063 1.0 0.78616 0.60849 0.42801 1.0000 + Cl Cl1064 1.0 0.81741 0.63974 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1.0000 + Cl Cl1086 1.0 0.03616 0.79599 0.42801 1.0000 + Cl Cl1087 1.0 0.06741 0.82724 0.42801 1.0000 + Cl Cl1088 1.0 0.09866 0.85849 0.42801 1.0000 + Cl Cl1089 1.0 0.66116 0.35849 0.42801 1.0000 + Cl Cl1090 1.0 0.69241 0.38974 0.42801 1.0000 + Cl Cl1091 1.0 0.72366 0.42099 0.42801 1.0000 + Cl Cl1092 1.0 0.75491 0.45224 0.42801 1.0000 + Cl Cl1093 1.0 0.78616 0.48349 0.42801 1.0000 + Cl Cl1094 1.0 0.81741 0.51474 0.42801 1.0000 + Cl Cl1095 1.0 0.84866 0.54599 0.42801 1.0000 + Cl Cl1096 1.0 0.87991 0.57724 0.42801 1.0000 + Cl Cl1097 1.0 0.91116 0.60849 0.42801 1.0000 + Cl Cl1098 1.0 0.94241 0.63974 0.42801 1.0000 + Cl Cl1099 1.0 0.97366 0.67099 0.42801 1.0000 + Cl Cl1100 1.0 0.00491 0.70224 0.42801 1.0000 + Cl Cl1101 1.0 0.03616 0.73349 0.42801 1.0000 + Cl Cl1102 1.0 0.06741 0.76474 0.42801 1.0000 + Cl Cl1103 1.0 0.09866 0.79599 0.42801 1.0000 + Cl Cl1104 1.0 0.12991 0.82724 0.42801 1.0000 + Cl Cl1105 1.0 0.69241 0.32724 0.42801 1.0000 + Cl Cl1106 1.0 0.72366 0.35849 0.42801 1.0000 + Cl Cl1107 1.0 0.75491 0.38974 0.42801 1.0000 + Cl Cl1108 1.0 0.78616 0.42099 0.42801 1.0000 + Cl Cl1109 1.0 0.81741 0.45224 0.42801 1.0000 + Cl Cl1110 1.0 0.84866 0.48349 0.42801 1.0000 + Cl Cl1111 1.0 0.87991 0.51474 0.42801 1.0000 + Cl Cl1112 1.0 0.91116 0.54599 0.42801 1.0000 + Cl Cl1113 1.0 0.94241 0.57724 0.42801 1.0000 + Cl Cl1114 1.0 0.97366 0.60849 0.42801 1.0000 + Cl Cl1115 1.0 0.00491 0.63974 0.42801 1.0000 + Cl Cl1116 1.0 0.03616 0.67099 0.42801 1.0000 + Cl Cl1117 1.0 0.06741 0.70224 0.42801 1.0000 + Cl Cl1118 1.0 0.09866 0.73349 0.42801 1.0000 + Cl Cl1119 1.0 0.12991 0.76474 0.42801 1.0000 + Cl Cl1120 1.0 0.16116 0.79599 0.42801 1.0000 + Cl Cl1121 1.0 0.72366 0.29599 0.42801 1.0000 + Cl Cl1122 1.0 0.75491 0.32724 0.42801 1.0000 + Cl Cl1123 1.0 0.78616 0.35849 0.42801 1.0000 + Cl Cl1124 1.0 0.81741 0.38974 0.42801 1.0000 + Cl Cl1125 1.0 0.84866 0.42099 0.42801 1.0000 + Cl Cl1126 1.0 0.87991 0.45224 0.42801 1.0000 + Cl Cl1127 1.0 0.91116 0.48349 0.42801 1.0000 + Cl Cl1128 1.0 0.94241 0.51474 0.42801 1.0000 + Cl Cl1129 1.0 0.97366 0.54599 0.42801 1.0000 + Cl Cl1130 1.0 0.00491 0.57724 0.42801 1.0000 + Cl Cl1131 1.0 0.03616 0.60849 0.42801 1.0000 + Cl Cl1132 1.0 0.06741 0.63974 0.42801 1.0000 + Cl Cl1133 1.0 0.09866 0.67099 0.42801 1.0000 + Cl Cl1134 1.0 0.12991 0.70224 0.42801 1.0000 + Cl Cl1135 1.0 0.16116 0.73349 0.42801 1.0000 + Cl Cl1136 1.0 0.19241 0.76474 0.42801 1.0000 + Cl Cl1137 1.0 0.75491 0.26474 0.42801 1.0000 + Cl Cl1138 1.0 0.78616 0.29599 0.42801 1.0000 + Cl Cl1139 1.0 0.81741 0.32724 0.42801 1.0000 + Cl Cl1140 1.0 0.84866 0.35849 0.42801 1.0000 + Cl Cl1141 1.0 0.87991 0.38974 0.42801 1.0000 + Cl Cl1142 1.0 0.91116 0.42099 0.42801 1.0000 + Cl Cl1143 1.0 0.94241 0.45224 0.42801 1.0000 + Cl Cl1144 1.0 0.97366 0.48349 0.42801 1.0000 + Cl Cl1145 1.0 0.00491 0.51474 0.42801 1.0000 + Cl Cl1146 1.0 0.03616 0.54599 0.42801 1.0000 + Cl Cl1147 1.0 0.06741 0.57724 0.42801 1.0000 + Cl Cl1148 1.0 0.09866 0.60849 0.42801 1.0000 + Cl Cl1149 1.0 0.12991 0.63974 0.42801 1.0000 + Cl Cl1150 1.0 0.16116 0.67099 0.42801 1.0000 + Cl Cl1151 1.0 0.19241 0.70224 0.42801 1.0000 + Cl Cl1152 1.0 0.22366 0.73349 0.42801 1.0000 + Cl Cl1153 1.0 0.78616 0.23349 0.42801 1.0000 + Cl Cl1154 1.0 0.81741 0.26474 0.42801 1.0000 + Cl Cl1155 1.0 0.84866 0.29599 0.42801 1.0000 + Cl Cl1156 1.0 0.87991 0.32724 0.42801 1.0000 + Cl Cl1157 1.0 0.91116 0.35849 0.42801 1.0000 + Cl Cl1158 1.0 0.94241 0.38974 0.42801 1.0000 + Cl Cl1159 1.0 0.97366 0.42099 0.42801 1.0000 + Cl Cl1160 1.0 0.00491 0.45224 0.42801 1.0000 + Cl Cl1161 1.0 0.03616 0.48349 0.42801 1.0000 + Cl Cl1162 1.0 0.06741 0.51474 0.42801 1.0000 + Cl Cl1163 1.0 0.09866 0.54599 0.42801 1.0000 + Cl Cl1164 1.0 0.12991 0.57724 0.42801 1.0000 + Cl Cl1165 1.0 0.16116 0.60849 0.42801 1.0000 + Cl Cl1166 1.0 0.19241 0.63974 0.42801 1.0000 + Cl Cl1167 1.0 0.22366 0.67099 0.42801 1.0000 + Cl Cl1168 1.0 0.25491 0.70224 0.42801 1.0000 + Cl Cl1169 1.0 0.81741 0.20224 0.42801 1.0000 + Cl Cl1170 1.0 0.84866 0.23349 0.42801 1.0000 + Cl Cl1171 1.0 0.87991 0.26474 0.42801 1.0000 + Cl Cl1172 1.0 0.91116 0.29599 0.42801 1.0000 + Cl Cl1173 1.0 0.94241 0.32724 0.42801 1.0000 + Cl Cl1174 1.0 0.97366 0.35849 0.42801 1.0000 + Cl Cl1175 1.0 0.00491 0.38974 0.42801 1.0000 + Cl Cl1176 1.0 0.03616 0.42099 0.42801 1.0000 + Cl Cl1177 1.0 0.06741 0.45224 0.42801 1.0000 + Cl Cl1178 1.0 0.09866 0.48349 0.42801 1.0000 + Cl Cl1179 1.0 0.12991 0.51474 0.42801 1.0000 + Cl Cl1180 1.0 0.16116 0.54599 0.42801 1.0000 + Cl Cl1181 1.0 0.19241 0.57724 0.42801 1.0000 + Cl Cl1182 1.0 0.22366 0.60849 0.42801 1.0000 + Cl Cl1183 1.0 0.25491 0.63974 0.42801 1.0000 + Cl Cl1184 1.0 0.28616 0.67099 0.42801 1.0000 + Cl Cl1185 1.0 0.84866 0.17099 0.42801 1.0000 + Cl Cl1186 1.0 0.87991 0.20224 0.42801 1.0000 + Cl Cl1187 1.0 0.91116 0.23349 0.42801 1.0000 + Cl Cl1188 1.0 0.94241 0.26474 0.42801 1.0000 + Cl Cl1189 1.0 0.97366 0.29599 0.42801 1.0000 + Cl Cl1190 1.0 0.00491 0.32724 0.42801 1.0000 + Cl Cl1191 1.0 0.03616 0.35849 0.42801 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Cl1531 1.0 0.33393 0.34375 0.42801 1.0000 + Cl Cl1532 1.0 0.36518 0.37500 0.42801 1.0000 + Cl Cl1533 1.0 0.39643 0.40625 0.42801 1.0000 + Cl Cl1534 1.0 0.42768 0.43750 0.42801 1.0000 + Cl Cl1535 1.0 0.45893 0.46875 0.42801 1.0000 + Cl Cl1536 1.0 0.49018 0.50000 0.42801 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5483_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5483_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..6e5b459eb12428de14c052e1118d90193d92ec7c --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5483_supercell_12x12x1.cif @@ -0,0 +1,1753 @@ +data_image0 +_chemical_formula_structural H1440W288 +_chemical_formula_sum "H1440 W288" +_cell_length_a 34.468 +_cell_length_b 73.5309 +_cell_length_c 6.5954 +_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 + 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+_cell_length_a 48.4596 +_cell_length_b 90.3972 +_cell_length_c 6.2358 +_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 0.02357 0.50002 1.0000 + Mn Mn2 1.0 0.00000 0.08607 0.50002 1.0000 + Mn Mn3 1.0 0.00000 0.14857 0.50002 1.0000 + Mn Mn4 1.0 0.00000 0.21107 0.50002 1.0000 + Mn Mn5 1.0 0.00000 0.27357 0.50002 1.0000 + Mn Mn6 1.0 0.00000 0.33607 0.50002 1.0000 + Mn Mn7 1.0 0.00000 0.39857 0.50002 1.0000 + Mn Mn8 1.0 0.00000 0.46107 0.50002 1.0000 + Mn Mn9 1.0 0.00000 0.52357 0.50002 1.0000 + Mn Mn10 1.0 0.00000 0.58607 0.50002 1.0000 + Mn Mn11 1.0 0.00000 0.64857 0.50002 1.0000 + Mn Mn12 1.0 0.00000 0.71107 0.50002 1.0000 + Mn Mn13 1.0 0.00000 0.77357 0.50002 1.0000 + Mn Mn14 1.0 0.00000 0.83607 0.50002 1.0000 + Mn Mn15 1.0 0.00000 0.89857 0.50002 1.0000 + Mn Mn16 1.0 0.00000 0.96107 0.50002 1.0000 + Mn Mn17 1.0 0.06250 0.02357 0.50002 1.0000 + Mn Mn18 1.0 0.06250 0.08607 0.50002 1.0000 + Mn Mn19 1.0 0.06250 0.14857 0.50002 1.0000 + Mn Mn20 1.0 0.06250 0.21107 0.50002 1.0000 + Mn Mn21 1.0 0.06250 0.27357 0.50002 1.0000 + Mn Mn22 1.0 0.06250 0.33607 0.50002 1.0000 + Mn Mn23 1.0 0.06250 0.39857 0.50002 1.0000 + Mn Mn24 1.0 0.06250 0.46107 0.50002 1.0000 + Mn Mn25 1.0 0.06250 0.52357 0.50002 1.0000 + Mn Mn26 1.0 0.06250 0.58607 0.50002 1.0000 + Mn Mn27 1.0 0.06250 0.64857 0.50002 1.0000 + Mn Mn28 1.0 0.06250 0.71107 0.50002 1.0000 + Mn Mn29 1.0 0.06250 0.77357 0.50002 1.0000 + Mn Mn30 1.0 0.06250 0.83607 0.50002 1.0000 + Mn Mn31 1.0 0.06250 0.89857 0.50002 1.0000 + Mn Mn32 1.0 0.06250 0.96107 0.50002 1.0000 + Mn Mn33 1.0 0.12500 0.02357 0.50002 1.0000 + Mn Mn34 1.0 0.12500 0.08607 0.50002 1.0000 + Mn Mn35 1.0 0.12500 0.14857 0.50002 1.0000 + Mn Mn36 1.0 0.12500 0.21107 0.50002 1.0000 + Mn Mn37 1.0 0.12500 0.27357 0.50002 1.0000 + Mn Mn38 1.0 0.12500 0.33607 0.50002 1.0000 + Mn Mn39 1.0 0.12500 0.39857 0.50002 1.0000 + Mn Mn40 1.0 0.12500 0.46107 0.50002 1.0000 + Mn Mn41 1.0 0.12500 0.52357 0.50002 1.0000 + Mn Mn42 1.0 0.12500 0.58607 0.50002 1.0000 + Mn Mn43 1.0 0.12500 0.64857 0.50002 1.0000 + Mn Mn44 1.0 0.12500 0.71107 0.50002 1.0000 + Mn Mn45 1.0 0.12500 0.77357 0.50002 1.0000 + Mn Mn46 1.0 0.12500 0.83607 0.50002 1.0000 + Mn Mn47 1.0 0.12500 0.89857 0.50002 1.0000 + Mn Mn48 1.0 0.12500 0.96107 0.50002 1.0000 + Mn Mn49 1.0 0.18750 0.02357 0.50002 1.0000 + Mn Mn50 1.0 0.18750 0.08607 0.50002 1.0000 + Mn Mn51 1.0 0.18750 0.14857 0.50002 1.0000 + Mn Mn52 1.0 0.18750 0.21107 0.50002 1.0000 + Mn Mn53 1.0 0.18750 0.27357 0.50002 1.0000 + Mn Mn54 1.0 0.18750 0.33607 0.50002 1.0000 + Mn Mn55 1.0 0.18750 0.39857 0.50002 1.0000 + Mn Mn56 1.0 0.18750 0.46107 0.50002 1.0000 + Mn Mn57 1.0 0.18750 0.52357 0.50002 1.0000 + Mn Mn58 1.0 0.18750 0.58607 0.50002 1.0000 + Mn Mn59 1.0 0.18750 0.64857 0.50002 1.0000 + Mn Mn60 1.0 0.18750 0.71107 0.50002 1.0000 + Mn Mn61 1.0 0.18750 0.77357 0.50002 1.0000 + Mn Mn62 1.0 0.18750 0.83607 0.50002 1.0000 + Mn Mn63 1.0 0.18750 0.89857 0.50002 1.0000 + Mn Mn64 1.0 0.18750 0.96107 0.50002 1.0000 + Mn Mn65 1.0 0.25000 0.02357 0.50002 1.0000 + Mn Mn66 1.0 0.25000 0.08607 0.50002 1.0000 + Mn Mn67 1.0 0.25000 0.14857 0.50002 1.0000 + Mn Mn68 1.0 0.25000 0.21107 0.50002 1.0000 + Mn Mn69 1.0 0.25000 0.27357 0.50002 1.0000 + Mn Mn70 1.0 0.25000 0.33607 0.50002 1.0000 + Mn Mn71 1.0 0.25000 0.39857 0.50002 1.0000 + Mn Mn72 1.0 0.25000 0.46107 0.50002 1.0000 + Mn Mn73 1.0 0.25000 0.52357 0.50002 1.0000 + Mn Mn74 1.0 0.25000 0.58607 0.50002 1.0000 + Mn Mn75 1.0 0.25000 0.64857 0.50002 1.0000 + Mn Mn76 1.0 0.25000 0.71107 0.50002 1.0000 + Mn Mn77 1.0 0.25000 0.77357 0.50002 1.0000 + Mn Mn78 1.0 0.25000 0.83607 0.50002 1.0000 + Mn Mn79 1.0 0.25000 0.89857 0.50002 1.0000 + Mn Mn80 1.0 0.25000 0.96107 0.50002 1.0000 + Mn Mn81 1.0 0.31250 0.02357 0.50002 1.0000 + Mn Mn82 1.0 0.31250 0.08607 0.50002 1.0000 + Mn Mn83 1.0 0.31250 0.14857 0.50002 1.0000 + Mn Mn84 1.0 0.31250 0.21107 0.50002 1.0000 + Mn Mn85 1.0 0.31250 0.27357 0.50002 1.0000 + Mn Mn86 1.0 0.31250 0.33607 0.50002 1.0000 + Mn Mn87 1.0 0.31250 0.39857 0.50002 1.0000 + Mn Mn88 1.0 0.31250 0.46107 0.50002 1.0000 + Mn Mn89 1.0 0.31250 0.52357 0.50002 1.0000 + Mn Mn90 1.0 0.31250 0.58607 0.50002 1.0000 + Mn Mn91 1.0 0.31250 0.64857 0.50002 1.0000 + Mn Mn92 1.0 0.31250 0.71107 0.50002 1.0000 + Mn Mn93 1.0 0.31250 0.77357 0.50002 1.0000 + Mn Mn94 1.0 0.31250 0.83607 0.50002 1.0000 + Mn Mn95 1.0 0.31250 0.89857 0.50002 1.0000 + Mn Mn96 1.0 0.31250 0.96107 0.50002 1.0000 + Mn Mn97 1.0 0.37500 0.02357 0.50002 1.0000 + Mn Mn98 1.0 0.37500 0.08607 0.50002 1.0000 + Mn Mn99 1.0 0.37500 0.14857 0.50002 1.0000 + Mn Mn100 1.0 0.37500 0.21107 0.50002 1.0000 + Mn Mn101 1.0 0.37500 0.27357 0.50002 1.0000 + Mn Mn102 1.0 0.37500 0.33607 0.50002 1.0000 + Mn Mn103 1.0 0.37500 0.39857 0.50002 1.0000 + Mn Mn104 1.0 0.37500 0.46107 0.50002 1.0000 + Mn Mn105 1.0 0.37500 0.52357 0.50002 1.0000 + Mn Mn106 1.0 0.37500 0.58607 0.50002 1.0000 + Mn Mn107 1.0 0.37500 0.64857 0.50002 1.0000 + Mn Mn108 1.0 0.37500 0.71107 0.50002 1.0000 + Mn Mn109 1.0 0.37500 0.77357 0.50002 1.0000 + Mn Mn110 1.0 0.37500 0.83607 0.50002 1.0000 + Mn Mn111 1.0 0.37500 0.89857 0.50002 1.0000 + Mn Mn112 1.0 0.37500 0.96107 0.50002 1.0000 + Mn Mn113 1.0 0.43750 0.02357 0.50002 1.0000 + Mn Mn114 1.0 0.43750 0.08607 0.50002 1.0000 + Mn Mn115 1.0 0.43750 0.14857 0.50002 1.0000 + Mn Mn116 1.0 0.43750 0.21107 0.50002 1.0000 + Mn Mn117 1.0 0.43750 0.27357 0.50002 1.0000 + Mn Mn118 1.0 0.43750 0.33607 0.50002 1.0000 + Mn Mn119 1.0 0.43750 0.39857 0.50002 1.0000 + Mn Mn120 1.0 0.43750 0.46107 0.50002 1.0000 + Mn Mn121 1.0 0.43750 0.52357 0.50002 1.0000 + Mn Mn122 1.0 0.43750 0.58607 0.50002 1.0000 + Mn Mn123 1.0 0.43750 0.64857 0.50002 1.0000 + Mn Mn124 1.0 0.43750 0.71107 0.50002 1.0000 + Mn Mn125 1.0 0.43750 0.77357 0.50002 1.0000 + Mn Mn126 1.0 0.43750 0.83607 0.50002 1.0000 + Mn Mn127 1.0 0.43750 0.89857 0.50002 1.0000 + Mn Mn128 1.0 0.43750 0.96107 0.50002 1.0000 + Mn Mn129 1.0 0.50000 0.02357 0.50002 1.0000 + Mn Mn130 1.0 0.50000 0.08607 0.50002 1.0000 + Mn Mn131 1.0 0.50000 0.14857 0.50002 1.0000 + Mn Mn132 1.0 0.50000 0.21107 0.50002 1.0000 + Mn Mn133 1.0 0.50000 0.27357 0.50002 1.0000 + Mn Mn134 1.0 0.50000 0.33607 0.50002 1.0000 + Mn Mn135 1.0 0.50000 0.39857 0.50002 1.0000 + Mn Mn136 1.0 0.50000 0.46107 0.50002 1.0000 + Mn Mn137 1.0 0.50000 0.52357 0.50002 1.0000 + Mn Mn138 1.0 0.50000 0.58607 0.50002 1.0000 + Mn Mn139 1.0 0.50000 0.64857 0.50002 1.0000 + Mn Mn140 1.0 0.50000 0.71107 0.50002 1.0000 + Mn Mn141 1.0 0.50000 0.77357 0.50002 1.0000 + Mn Mn142 1.0 0.50000 0.83607 0.50002 1.0000 + Mn Mn143 1.0 0.50000 0.89857 0.50002 1.0000 + Mn Mn144 1.0 0.50000 0.96107 0.50002 1.0000 + Mn Mn145 1.0 0.56250 0.02357 0.50002 1.0000 + Mn Mn146 1.0 0.56250 0.08607 0.50002 1.0000 + Mn Mn147 1.0 0.56250 0.14857 0.50002 1.0000 + Mn Mn148 1.0 0.56250 0.21107 0.50002 1.0000 + Mn Mn149 1.0 0.56250 0.27357 0.50002 1.0000 + Mn Mn150 1.0 0.56250 0.33607 0.50002 1.0000 + Mn Mn151 1.0 0.56250 0.39857 0.50002 1.0000 + Mn Mn152 1.0 0.56250 0.46107 0.50002 1.0000 + Mn Mn153 1.0 0.56250 0.52357 0.50002 1.0000 + Mn Mn154 1.0 0.56250 0.58607 0.50002 1.0000 + Mn Mn155 1.0 0.56250 0.64857 0.50002 1.0000 + Mn Mn156 1.0 0.56250 0.71107 0.50002 1.0000 + Mn Mn157 1.0 0.56250 0.77357 0.50002 1.0000 + Mn Mn158 1.0 0.56250 0.83607 0.50002 1.0000 + Mn Mn159 1.0 0.56250 0.89857 0.50002 1.0000 + Mn Mn160 1.0 0.56250 0.96107 0.50002 1.0000 + Mn Mn161 1.0 0.62500 0.02357 0.50002 1.0000 + Mn Mn162 1.0 0.62500 0.08607 0.50002 1.0000 + Mn Mn163 1.0 0.62500 0.14857 0.50002 1.0000 + Mn Mn164 1.0 0.62500 0.21107 0.50002 1.0000 + Mn Mn165 1.0 0.62500 0.27357 0.50002 1.0000 + Mn Mn166 1.0 0.62500 0.33607 0.50002 1.0000 + Mn Mn167 1.0 0.62500 0.39857 0.50002 1.0000 + Mn Mn168 1.0 0.62500 0.46107 0.50002 1.0000 + Mn Mn169 1.0 0.62500 0.52357 0.50002 1.0000 + Mn Mn170 1.0 0.62500 0.58607 0.50002 1.0000 + Mn Mn171 1.0 0.62500 0.64857 0.50002 1.0000 + Mn Mn172 1.0 0.62500 0.71107 0.50002 1.0000 + Mn Mn173 1.0 0.62500 0.77357 0.50002 1.0000 + Mn Mn174 1.0 0.62500 0.83607 0.50002 1.0000 + Mn Mn175 1.0 0.62500 0.89857 0.50002 1.0000 + Mn Mn176 1.0 0.62500 0.96107 0.50002 1.0000 + Mn Mn177 1.0 0.68750 0.02357 0.50002 1.0000 + Mn Mn178 1.0 0.68750 0.08607 0.50002 1.0000 + Mn Mn179 1.0 0.68750 0.14857 0.50002 1.0000 + Mn Mn180 1.0 0.68750 0.21107 0.50002 1.0000 + Mn Mn181 1.0 0.68750 0.27357 0.50002 1.0000 + Mn Mn182 1.0 0.68750 0.33607 0.50002 1.0000 + Mn Mn183 1.0 0.68750 0.39857 0.50002 1.0000 + Mn Mn184 1.0 0.68750 0.46107 0.50002 1.0000 + Mn Mn185 1.0 0.68750 0.52357 0.50002 1.0000 + Mn Mn186 1.0 0.68750 0.58607 0.50002 1.0000 + Mn Mn187 1.0 0.68750 0.64857 0.50002 1.0000 + Mn Mn188 1.0 0.68750 0.71107 0.50002 1.0000 + Mn Mn189 1.0 0.68750 0.77357 0.50002 1.0000 + Mn Mn190 1.0 0.68750 0.83607 0.50002 1.0000 + Mn Mn191 1.0 0.68750 0.89857 0.50002 1.0000 + Mn Mn192 1.0 0.68750 0.96107 0.50002 1.0000 + Mn Mn193 1.0 0.75000 0.02357 0.50002 1.0000 + Mn Mn194 1.0 0.75000 0.08607 0.50002 1.0000 + Mn Mn195 1.0 0.75000 0.14857 0.50002 1.0000 + Mn Mn196 1.0 0.75000 0.21107 0.50002 1.0000 + Mn Mn197 1.0 0.75000 0.27357 0.50002 1.0000 + Mn Mn198 1.0 0.75000 0.33607 0.50002 1.0000 + Mn Mn199 1.0 0.75000 0.39857 0.50002 1.0000 + Mn Mn200 1.0 0.75000 0.46107 0.50002 1.0000 + Mn Mn201 1.0 0.75000 0.52357 0.50002 1.0000 + Mn Mn202 1.0 0.75000 0.58607 0.50002 1.0000 + Mn Mn203 1.0 0.75000 0.64857 0.50002 1.0000 + Mn Mn204 1.0 0.75000 0.71107 0.50002 1.0000 + Mn Mn205 1.0 0.75000 0.77357 0.50002 1.0000 + Mn Mn206 1.0 0.75000 0.83607 0.50002 1.0000 + Mn Mn207 1.0 0.75000 0.89857 0.50002 1.0000 + Mn Mn208 1.0 0.75000 0.96107 0.50002 1.0000 + Mn Mn209 1.0 0.81250 0.02357 0.50002 1.0000 + Mn Mn210 1.0 0.81250 0.08607 0.50002 1.0000 + Mn Mn211 1.0 0.81250 0.14857 0.50002 1.0000 + Mn Mn212 1.0 0.81250 0.21107 0.50002 1.0000 + Mn Mn213 1.0 0.81250 0.27357 0.50002 1.0000 + Mn Mn214 1.0 0.81250 0.33607 0.50002 1.0000 + Mn Mn215 1.0 0.81250 0.39857 0.50002 1.0000 + Mn Mn216 1.0 0.81250 0.46107 0.50002 1.0000 + Mn Mn217 1.0 0.81250 0.52357 0.50002 1.0000 + Mn Mn218 1.0 0.81250 0.58607 0.50002 1.0000 + Mn Mn219 1.0 0.81250 0.64857 0.50002 1.0000 + Mn Mn220 1.0 0.81250 0.71107 0.50002 1.0000 + Mn Mn221 1.0 0.81250 0.77357 0.50002 1.0000 + Mn Mn222 1.0 0.81250 0.83607 0.50002 1.0000 + Mn Mn223 1.0 0.81250 0.89857 0.50002 1.0000 + Mn Mn224 1.0 0.81250 0.96107 0.50002 1.0000 + Mn Mn225 1.0 0.87500 0.02357 0.50002 1.0000 + Mn Mn226 1.0 0.87500 0.08607 0.50002 1.0000 + Mn Mn227 1.0 0.87500 0.14857 0.50002 1.0000 + Mn Mn228 1.0 0.87500 0.21107 0.50002 1.0000 + Mn Mn229 1.0 0.87500 0.27357 0.50002 1.0000 + Mn Mn230 1.0 0.87500 0.33607 0.50002 1.0000 + Mn Mn231 1.0 0.87500 0.39857 0.50002 1.0000 + Mn Mn232 1.0 0.87500 0.46107 0.50002 1.0000 + Mn Mn233 1.0 0.87500 0.52357 0.50002 1.0000 + Mn Mn234 1.0 0.87500 0.58607 0.50002 1.0000 + Mn Mn235 1.0 0.87500 0.64857 0.50002 1.0000 + Mn Mn236 1.0 0.87500 0.71107 0.50002 1.0000 + Mn Mn237 1.0 0.87500 0.77357 0.50002 1.0000 + Mn Mn238 1.0 0.87500 0.83607 0.50002 1.0000 + Mn Mn239 1.0 0.87500 0.89857 0.50002 1.0000 + Mn Mn240 1.0 0.87500 0.96107 0.50002 1.0000 + Mn Mn241 1.0 0.93750 0.02357 0.50002 1.0000 + Mn Mn242 1.0 0.93750 0.08607 0.50002 1.0000 + Mn Mn243 1.0 0.93750 0.14857 0.50002 1.0000 + Mn Mn244 1.0 0.93750 0.21107 0.50002 1.0000 + Mn Mn245 1.0 0.93750 0.27357 0.50002 1.0000 + Mn Mn246 1.0 0.93750 0.33607 0.50002 1.0000 + Mn Mn247 1.0 0.93750 0.39857 0.50002 1.0000 + Mn Mn248 1.0 0.93750 0.46107 0.50002 1.0000 + Mn Mn249 1.0 0.93750 0.52357 0.50002 1.0000 + Mn Mn250 1.0 0.93750 0.58607 0.50002 1.0000 + Mn Mn251 1.0 0.93750 0.64857 0.50002 1.0000 + Mn Mn252 1.0 0.93750 0.71107 0.50002 1.0000 + Mn Mn253 1.0 0.93750 0.77357 0.50002 1.0000 + Mn Mn254 1.0 0.93750 0.83607 0.50002 1.0000 + Mn Mn255 1.0 0.93750 0.89857 0.50002 1.0000 + Mn Mn256 1.0 0.93750 0.96107 0.50002 1.0000 + Sb Sb1 1.0 0.03125 0.05480 0.50018 1.0000 + Sb Sb2 1.0 0.03125 0.11730 0.50018 1.0000 + Sb Sb3 1.0 0.03125 0.17980 0.50018 1.0000 + Sb Sb4 1.0 0.03125 0.24230 0.50018 1.0000 + Sb Sb5 1.0 0.03125 0.30480 0.50018 1.0000 + Sb Sb6 1.0 0.03125 0.36730 0.50018 1.0000 + Sb Sb7 1.0 0.03125 0.42980 0.50018 1.0000 + Sb Sb8 1.0 0.03125 0.49230 0.50018 1.0000 + Sb Sb9 1.0 0.03125 0.55480 0.50018 1.0000 + Sb Sb10 1.0 0.03125 0.61730 0.50018 1.0000 + Sb Sb11 1.0 0.03125 0.67980 0.50018 1.0000 + Sb Sb12 1.0 0.03125 0.74230 0.50018 1.0000 + Sb Sb13 1.0 0.03125 0.80480 0.50018 1.0000 + Sb Sb14 1.0 0.03125 0.86730 0.50018 1.0000 + Sb Sb15 1.0 0.03125 0.92980 0.50018 1.0000 + Sb Sb16 1.0 0.03125 0.99230 0.50018 1.0000 + Sb Sb17 1.0 0.09375 0.05480 0.50018 1.0000 + Sb Sb18 1.0 0.09375 0.11730 0.50018 1.0000 + Sb Sb19 1.0 0.09375 0.17980 0.50018 1.0000 + Sb Sb20 1.0 0.09375 0.24230 0.50018 1.0000 + Sb Sb21 1.0 0.09375 0.30480 0.50018 1.0000 + Sb Sb22 1.0 0.09375 0.36730 0.50018 1.0000 + Sb Sb23 1.0 0.09375 0.42980 0.50018 1.0000 + Sb Sb24 1.0 0.09375 0.49230 0.50018 1.0000 + Sb Sb25 1.0 0.09375 0.55480 0.50018 1.0000 + Sb Sb26 1.0 0.09375 0.61730 0.50018 1.0000 + Sb Sb27 1.0 0.09375 0.67980 0.50018 1.0000 + Sb Sb28 1.0 0.09375 0.74230 0.50018 1.0000 + Sb Sb29 1.0 0.09375 0.80480 0.50018 1.0000 + Sb Sb30 1.0 0.09375 0.86730 0.50018 1.0000 + Sb Sb31 1.0 0.09375 0.92980 0.50018 1.0000 + Sb Sb32 1.0 0.09375 0.99230 0.50018 1.0000 + Sb Sb33 1.0 0.15625 0.05480 0.50018 1.0000 + Sb Sb34 1.0 0.15625 0.11730 0.50018 1.0000 + Sb Sb35 1.0 0.15625 0.17980 0.50018 1.0000 + Sb Sb36 1.0 0.15625 0.24230 0.50018 1.0000 + Sb Sb37 1.0 0.15625 0.30480 0.50018 1.0000 + Sb Sb38 1.0 0.15625 0.36730 0.50018 1.0000 + Sb Sb39 1.0 0.15625 0.42980 0.50018 1.0000 + Sb Sb40 1.0 0.15625 0.49230 0.50018 1.0000 + Sb Sb41 1.0 0.15625 0.55480 0.50018 1.0000 + Sb Sb42 1.0 0.15625 0.61730 0.50018 1.0000 + Sb Sb43 1.0 0.15625 0.67980 0.50018 1.0000 + Sb Sb44 1.0 0.15625 0.74230 0.50018 1.0000 + Sb Sb45 1.0 0.15625 0.80480 0.50018 1.0000 + Sb Sb46 1.0 0.15625 0.86730 0.50018 1.0000 + Sb Sb47 1.0 0.15625 0.92980 0.50018 1.0000 + Sb Sb48 1.0 0.15625 0.99230 0.50018 1.0000 + Sb Sb49 1.0 0.21875 0.05480 0.50018 1.0000 + Sb Sb50 1.0 0.21875 0.11730 0.50018 1.0000 + Sb Sb51 1.0 0.21875 0.17980 0.50018 1.0000 + Sb Sb52 1.0 0.21875 0.24230 0.50018 1.0000 + Sb Sb53 1.0 0.21875 0.30480 0.50018 1.0000 + Sb Sb54 1.0 0.21875 0.36730 0.50018 1.0000 + Sb Sb55 1.0 0.21875 0.42980 0.50018 1.0000 + Sb Sb56 1.0 0.21875 0.49230 0.50018 1.0000 + Sb Sb57 1.0 0.21875 0.55480 0.50018 1.0000 + Sb Sb58 1.0 0.21875 0.61730 0.50018 1.0000 + Sb Sb59 1.0 0.21875 0.67980 0.50018 1.0000 + Sb Sb60 1.0 0.21875 0.74230 0.50018 1.0000 + Sb Sb61 1.0 0.21875 0.80480 0.50018 1.0000 + Sb Sb62 1.0 0.21875 0.86730 0.50018 1.0000 + Sb Sb63 1.0 0.21875 0.92980 0.50018 1.0000 + Sb Sb64 1.0 0.21875 0.99230 0.50018 1.0000 + Sb Sb65 1.0 0.28125 0.05480 0.50018 1.0000 + Sb Sb66 1.0 0.28125 0.11730 0.50018 1.0000 + Sb Sb67 1.0 0.28125 0.17980 0.50018 1.0000 + Sb Sb68 1.0 0.28125 0.24230 0.50018 1.0000 + Sb Sb69 1.0 0.28125 0.30480 0.50018 1.0000 + Sb Sb70 1.0 0.28125 0.36730 0.50018 1.0000 + Sb Sb71 1.0 0.28125 0.42980 0.50018 1.0000 + Sb Sb72 1.0 0.28125 0.49230 0.50018 1.0000 + Sb Sb73 1.0 0.28125 0.55480 0.50018 1.0000 + Sb Sb74 1.0 0.28125 0.61730 0.50018 1.0000 + Sb Sb75 1.0 0.28125 0.67980 0.50018 1.0000 + Sb Sb76 1.0 0.28125 0.74230 0.50018 1.0000 + Sb Sb77 1.0 0.28125 0.80480 0.50018 1.0000 + Sb Sb78 1.0 0.28125 0.86730 0.50018 1.0000 + Sb Sb79 1.0 0.28125 0.92980 0.50018 1.0000 + Sb Sb80 1.0 0.28125 0.99230 0.50018 1.0000 + Sb Sb81 1.0 0.34375 0.05480 0.50018 1.0000 + Sb Sb82 1.0 0.34375 0.11730 0.50018 1.0000 + Sb Sb83 1.0 0.34375 0.17980 0.50018 1.0000 + Sb Sb84 1.0 0.34375 0.24230 0.50018 1.0000 + Sb Sb85 1.0 0.34375 0.30480 0.50018 1.0000 + Sb Sb86 1.0 0.34375 0.36730 0.50018 1.0000 + Sb Sb87 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S S899 1.0 0.54906 0.17406 0.30803 1.0000 + S S900 1.0 0.54906 0.23656 0.30803 1.0000 + S S901 1.0 0.54906 0.29906 0.30803 1.0000 + S S902 1.0 0.54906 0.36156 0.30803 1.0000 + S S903 1.0 0.54906 0.42406 0.30803 1.0000 + S S904 1.0 0.54906 0.48656 0.30803 1.0000 + S S905 1.0 0.54906 0.54906 0.30803 1.0000 + S S906 1.0 0.54906 0.61156 0.30803 1.0000 + S S907 1.0 0.54906 0.67406 0.30803 1.0000 + S S908 1.0 0.54906 0.73656 0.30803 1.0000 + S S909 1.0 0.54906 0.79906 0.30803 1.0000 + S S910 1.0 0.54906 0.86156 0.30803 1.0000 + S S911 1.0 0.54906 0.92406 0.30803 1.0000 + S S912 1.0 0.54906 0.98656 0.30803 1.0000 + S S913 1.0 0.61156 0.04906 0.30803 1.0000 + S S914 1.0 0.61156 0.11156 0.30803 1.0000 + S S915 1.0 0.61156 0.17406 0.30803 1.0000 + S S916 1.0 0.61156 0.23656 0.30803 1.0000 + S S917 1.0 0.61156 0.29906 0.30803 1.0000 + S S918 1.0 0.61156 0.36156 0.30803 1.0000 + S S919 1.0 0.61156 0.42406 0.30803 1.0000 + S S920 1.0 0.61156 0.48656 0.30803 1.0000 + S S921 1.0 0.61156 0.54906 0.30803 1.0000 + S S922 1.0 0.61156 0.61156 0.30803 1.0000 + S S923 1.0 0.61156 0.67406 0.30803 1.0000 + S S924 1.0 0.61156 0.73656 0.30803 1.0000 + S S925 1.0 0.61156 0.79906 0.30803 1.0000 + S S926 1.0 0.61156 0.86156 0.30803 1.0000 + S S927 1.0 0.61156 0.92406 0.30803 1.0000 + S S928 1.0 0.61156 0.98656 0.30803 1.0000 + S S929 1.0 0.67406 0.04906 0.30803 1.0000 + S S930 1.0 0.67406 0.11156 0.30803 1.0000 + S S931 1.0 0.67406 0.17406 0.30803 1.0000 + S S932 1.0 0.67406 0.23656 0.30803 1.0000 + S S933 1.0 0.67406 0.29906 0.30803 1.0000 + S S934 1.0 0.67406 0.36156 0.30803 1.0000 + S S935 1.0 0.67406 0.42406 0.30803 1.0000 + S S936 1.0 0.67406 0.48656 0.30803 1.0000 + S S937 1.0 0.67406 0.54906 0.30803 1.0000 + S S938 1.0 0.67406 0.61156 0.30803 1.0000 + S S939 1.0 0.67406 0.67406 0.30803 1.0000 + S S940 1.0 0.67406 0.73656 0.30803 1.0000 + S S941 1.0 0.67406 0.79906 0.30803 1.0000 + S S942 1.0 0.67406 0.86156 0.30803 1.0000 + S S943 1.0 0.67406 0.92406 0.30803 1.0000 + S S944 1.0 0.67406 0.98656 0.30803 1.0000 + S S945 1.0 0.73656 0.04906 0.30803 1.0000 + S S946 1.0 0.73656 0.11156 0.30803 1.0000 + S S947 1.0 0.73656 0.17406 0.30803 1.0000 + S S948 1.0 0.73656 0.23656 0.30803 1.0000 + S S949 1.0 0.73656 0.29906 0.30803 1.0000 + S S950 1.0 0.73656 0.36156 0.30803 1.0000 + S S951 1.0 0.73656 0.42406 0.30803 1.0000 + S S952 1.0 0.73656 0.48656 0.30803 1.0000 + S S953 1.0 0.73656 0.54906 0.30803 1.0000 + S S954 1.0 0.73656 0.61156 0.30803 1.0000 + S S955 1.0 0.73656 0.67406 0.30803 1.0000 + S S956 1.0 0.73656 0.73656 0.30803 1.0000 + S S957 1.0 0.73656 0.79906 0.30803 1.0000 + S S958 1.0 0.73656 0.86156 0.30803 1.0000 + S S959 1.0 0.73656 0.92406 0.30803 1.0000 + S S960 1.0 0.73656 0.98656 0.30803 1.0000 + S S961 1.0 0.79906 0.04906 0.30803 1.0000 + S S962 1.0 0.79906 0.11156 0.30803 1.0000 + S S963 1.0 0.79906 0.17406 0.30803 1.0000 + S S964 1.0 0.79906 0.23656 0.30803 1.0000 + S S965 1.0 0.79906 0.29906 0.30803 1.0000 + S S966 1.0 0.79906 0.36156 0.30803 1.0000 + S S967 1.0 0.79906 0.42406 0.30803 1.0000 + S S968 1.0 0.79906 0.48656 0.30803 1.0000 + S S969 1.0 0.79906 0.54906 0.30803 1.0000 + S S970 1.0 0.79906 0.61156 0.30803 1.0000 + S S971 1.0 0.79906 0.67406 0.30803 1.0000 + S S972 1.0 0.79906 0.73656 0.30803 1.0000 + S S973 1.0 0.79906 0.79906 0.30803 1.0000 + S S974 1.0 0.79906 0.86156 0.30803 1.0000 + S S975 1.0 0.79906 0.92406 0.30803 1.0000 + S S976 1.0 0.79906 0.98656 0.30803 1.0000 + S S977 1.0 0.86156 0.04906 0.30803 1.0000 + S S978 1.0 0.86156 0.11156 0.30803 1.0000 + S S979 1.0 0.86156 0.17406 0.30803 1.0000 + S S980 1.0 0.86156 0.23656 0.30803 1.0000 + S S981 1.0 0.86156 0.29906 0.30803 1.0000 + S S982 1.0 0.86156 0.36156 0.30803 1.0000 + S S983 1.0 0.86156 0.42406 0.30803 1.0000 + S S984 1.0 0.86156 0.48656 0.30803 1.0000 + S S985 1.0 0.86156 0.54906 0.30803 1.0000 + S S986 1.0 0.86156 0.61156 0.30803 1.0000 + S S987 1.0 0.86156 0.67406 0.30803 1.0000 + S S988 1.0 0.86156 0.73656 0.30803 1.0000 + S S989 1.0 0.86156 0.79906 0.30803 1.0000 + S S990 1.0 0.86156 0.86156 0.30803 1.0000 + S S991 1.0 0.86156 0.92406 0.30803 1.0000 + S S992 1.0 0.86156 0.98656 0.30803 1.0000 + S S993 1.0 0.92406 0.04906 0.30803 1.0000 + S S994 1.0 0.92406 0.11156 0.30803 1.0000 + S S995 1.0 0.92406 0.17406 0.30803 1.0000 + S S996 1.0 0.92406 0.23656 0.30803 1.0000 + S S997 1.0 0.92406 0.29906 0.30803 1.0000 + S S998 1.0 0.92406 0.36156 0.30803 1.0000 + S S999 1.0 0.92406 0.42406 0.30803 1.0000 + S S1000 1.0 0.92406 0.48656 0.30803 1.0000 + S S1001 1.0 0.92406 0.54906 0.30803 1.0000 + S S1002 1.0 0.92406 0.61156 0.30803 1.0000 + S S1003 1.0 0.92406 0.67406 0.30803 1.0000 + S S1004 1.0 0.92406 0.73656 0.30803 1.0000 + S S1005 1.0 0.92406 0.79906 0.30803 1.0000 + S S1006 1.0 0.92406 0.86156 0.30803 1.0000 + S S1007 1.0 0.92406 0.92406 0.30803 1.0000 + S S1008 1.0 0.92406 0.98656 0.30803 1.0000 + S S1009 1.0 0.98656 0.04906 0.30803 1.0000 + S S1010 1.0 0.98656 0.11156 0.30803 1.0000 + S S1011 1.0 0.98656 0.17406 0.30803 1.0000 + S S1012 1.0 0.98656 0.23656 0.30803 1.0000 + S S1013 1.0 0.98656 0.29906 0.30803 1.0000 + S S1014 1.0 0.98656 0.36156 0.30803 1.0000 + S S1015 1.0 0.98656 0.42406 0.30803 1.0000 + S S1016 1.0 0.98656 0.48656 0.30803 1.0000 + S S1017 1.0 0.98656 0.54906 0.30803 1.0000 + S S1018 1.0 0.98656 0.61156 0.30803 1.0000 + S S1019 1.0 0.98656 0.67406 0.30803 1.0000 + S S1020 1.0 0.98656 0.73656 0.30803 1.0000 + S S1021 1.0 0.98656 0.79906 0.30803 1.0000 + S S1022 1.0 0.98656 0.86156 0.30803 1.0000 + S S1023 1.0 0.98656 0.92406 0.30803 1.0000 + S S1024 1.0 0.98656 0.98656 0.30803 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5506_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5506_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..2e7a1bf493523c89397cca1083a786c163d0de20 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5506_supercell_12x12x1.cif @@ -0,0 +1,2617 @@ +data_image0 +_chemical_formula_structural Ti144Tl288F864Ti144Tl288F864 +_chemical_formula_sum "Ti288 Tl576 F1728" +_cell_length_a 122.367 +_cell_length_b 70.6489 +_cell_length_c 6.58978 +_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 0.95833 0.04167 0.50000 1.0000 + Ti Ti3 1.0 0.91667 0.08333 0.50000 1.0000 + Ti Ti4 1.0 0.87500 0.12500 0.50000 1.0000 + Ti Ti5 1.0 0.83333 0.16667 0.50000 1.0000 + Ti Ti6 1.0 0.79167 0.20833 0.50000 1.0000 + Ti Ti7 1.0 0.75000 0.25000 0.50000 1.0000 + Ti Ti8 1.0 0.20833 0.79167 0.50000 1.0000 + Ti Ti9 1.0 0.66667 0.33333 0.50000 1.0000 + Ti Ti10 1.0 0.62500 0.37500 0.50000 1.0000 + Ti Ti11 1.0 0.58333 0.41667 0.50000 1.0000 + Ti Ti12 1.0 0.54167 0.45833 0.50000 1.0000 + Ti Ti13 1.0 0.04167 0.04167 0.50000 1.0000 + Ti Ti14 1.0 0.00000 0.08333 0.50000 1.0000 + Ti Ti15 1.0 0.95833 0.12500 0.50000 1.0000 + Ti Ti16 1.0 0.91667 0.16667 0.50000 1.0000 + Ti Ti17 1.0 0.87500 0.20833 0.50000 1.0000 + Ti Ti18 1.0 0.83333 0.25000 0.50000 1.0000 + Ti Ti19 1.0 0.79167 0.29167 0.50000 1.0000 + Ti Ti20 1.0 0.75000 0.33333 0.50000 1.0000 + Ti Ti21 1.0 0.70833 0.37500 0.50000 1.0000 + Ti Ti22 1.0 0.66667 0.41667 0.50000 1.0000 + Ti Ti23 1.0 0.62500 0.45833 0.50000 1.0000 + Ti Ti24 1.0 0.58333 0.50000 0.50000 1.0000 + Ti Ti25 1.0 0.08333 0.08333 0.50000 1.0000 + Ti Ti26 1.0 0.04167 0.12500 0.50000 1.0000 + Ti Ti27 1.0 0.00000 0.16667 0.50000 1.0000 + Ti Ti28 1.0 0.95833 0.20833 0.50000 1.0000 + Ti Ti29 1.0 0.91667 0.25000 0.50000 1.0000 + Ti Ti30 1.0 0.87500 0.29167 0.50000 1.0000 + Ti Ti31 1.0 0.83333 0.33333 0.50000 1.0000 + Ti Ti32 1.0 0.79167 0.37500 0.50000 1.0000 + Ti Ti33 1.0 0.75000 0.41667 0.50000 1.0000 + Ti Ti34 1.0 0.70833 0.45833 0.50000 1.0000 + Ti Ti35 1.0 0.66667 0.50000 0.50000 1.0000 + Ti Ti36 1.0 0.62500 0.54167 0.50000 1.0000 + Ti Ti37 1.0 0.12500 0.12500 0.50000 1.0000 + Ti Ti38 1.0 0.08333 0.16667 0.50000 1.0000 + Ti Ti39 1.0 0.04167 0.20833 0.50000 1.0000 + Ti Ti40 1.0 0.00000 0.25000 0.50000 1.0000 + Ti Ti41 1.0 0.95833 0.29167 0.50000 1.0000 + Ti Ti42 1.0 0.91667 0.33333 0.50000 1.0000 + Ti Ti43 1.0 0.87500 0.37500 0.50000 1.0000 + Ti Ti44 1.0 0.83333 0.41667 0.50000 1.0000 + Ti Ti45 1.0 0.79167 0.45833 0.50000 1.0000 + Ti Ti46 1.0 0.75000 0.50000 0.50000 1.0000 + Ti Ti47 1.0 0.70833 0.54167 0.50000 1.0000 + Ti Ti48 1.0 0.66667 0.58333 0.50000 1.0000 + Ti Ti49 1.0 0.16667 0.16667 0.50000 1.0000 + Ti Ti50 1.0 0.12500 0.20833 0.50000 1.0000 + Ti Ti51 1.0 0.08333 0.25000 0.50000 1.0000 + Ti Ti52 1.0 0.04167 0.29167 0.50000 1.0000 + Ti Ti53 1.0 0.00000 0.33333 0.50000 1.0000 + Ti Ti54 1.0 0.95833 0.37500 0.50000 1.0000 + Ti Ti55 1.0 0.91667 0.41667 0.50000 1.0000 + Ti Ti56 1.0 0.87500 0.45833 0.50000 1.0000 + Ti Ti57 1.0 0.83333 0.50000 0.50000 1.0000 + Ti Ti58 1.0 0.79167 0.54167 0.50000 1.0000 + Ti Ti59 1.0 0.75000 0.58333 0.50000 1.0000 + Ti Ti60 1.0 0.70833 0.62500 0.50000 1.0000 + Ti Ti61 1.0 0.20833 0.20833 0.50000 1.0000 + Ti Ti62 1.0 0.16667 0.25000 0.50000 1.0000 + Ti Ti63 1.0 0.12500 0.29167 0.50000 1.0000 + Ti Ti64 1.0 0.08333 0.33333 0.50000 1.0000 + Ti Ti65 1.0 0.04167 0.37500 0.50000 1.0000 + Ti Ti66 1.0 0.00000 0.41667 0.50000 1.0000 + Ti Ti67 1.0 0.95833 0.45833 0.50000 1.0000 + Ti Ti68 1.0 0.91667 0.50000 0.50000 1.0000 + Ti Ti69 1.0 0.87500 0.54167 0.50000 1.0000 + Ti Ti70 1.0 0.83333 0.58333 0.50000 1.0000 + Ti Ti71 1.0 0.79167 0.62500 0.50000 1.0000 + Ti Ti72 1.0 0.75000 0.66667 0.50000 1.0000 + Ti Ti73 1.0 0.25000 0.25000 0.50000 1.0000 + Ti Ti74 1.0 0.20833 0.29167 0.50000 1.0000 + Ti Ti75 1.0 0.16667 0.33333 0.50000 1.0000 + Ti Ti76 1.0 0.12500 0.37500 0.50000 1.0000 + Ti Ti77 1.0 0.08333 0.41667 0.50000 1.0000 + Ti Ti78 1.0 0.04167 0.45833 0.50000 1.0000 + Ti Ti79 1.0 0.00000 0.50000 0.50000 1.0000 + Ti Ti80 1.0 0.95833 0.54167 0.50000 1.0000 + Ti Ti81 1.0 0.91667 0.58333 0.50000 1.0000 + Ti Ti82 1.0 0.87500 0.62500 0.50000 1.0000 + Ti Ti83 1.0 0.83333 0.66667 0.50000 1.0000 + Ti Ti84 1.0 0.79167 0.70833 0.50000 1.0000 + Ti Ti85 1.0 0.29167 0.29167 0.50000 1.0000 + Ti Ti86 1.0 0.25000 0.33333 0.50000 1.0000 + Ti Ti87 1.0 0.20833 0.37500 0.50000 1.0000 + Ti Ti88 1.0 0.16667 0.41667 0.50000 1.0000 + Ti Ti89 1.0 0.12500 0.45833 0.50000 1.0000 + Ti Ti90 1.0 0.08333 0.50000 0.50000 1.0000 + Ti Ti91 1.0 0.04167 0.54167 0.50000 1.0000 + Ti Ti92 1.0 0.00000 0.58333 0.50000 1.0000 + Ti Ti93 1.0 0.95833 0.62500 0.50000 1.0000 + Ti Ti94 1.0 0.91667 0.66667 0.50000 1.0000 + Ti Ti95 1.0 0.87500 0.70833 0.50000 1.0000 + Ti Ti96 1.0 0.83333 0.75000 0.50000 1.0000 + Ti Ti97 1.0 0.33333 0.33333 0.50000 1.0000 + Ti Ti98 1.0 0.29167 0.37500 0.50000 1.0000 + Ti Ti99 1.0 0.25000 0.41667 0.50000 1.0000 + Ti Ti100 1.0 0.20833 0.45833 0.50000 1.0000 + Ti Ti101 1.0 0.16667 0.50000 0.50000 1.0000 + Ti Ti102 1.0 0.12500 0.54167 0.50000 1.0000 + Ti Ti103 1.0 0.08333 0.58333 0.50000 1.0000 + Ti Ti104 1.0 0.04167 0.62500 0.50000 1.0000 + Ti Ti105 1.0 0.00000 0.66667 0.50000 1.0000 + Ti Ti106 1.0 0.95833 0.70833 0.50000 1.0000 + Ti Ti107 1.0 0.91667 0.75000 0.50000 1.0000 + Ti Ti108 1.0 0.87500 0.79167 0.50000 1.0000 + Ti Ti109 1.0 0.37500 0.37500 0.50000 1.0000 + Ti Ti110 1.0 0.33333 0.41667 0.50000 1.0000 + Ti Ti111 1.0 0.29167 0.45833 0.50000 1.0000 + Ti Ti112 1.0 0.25000 0.50000 0.50000 1.0000 + Ti Ti113 1.0 0.20833 0.54167 0.50000 1.0000 + Ti Ti114 1.0 0.16667 0.58333 0.50000 1.0000 + Ti Ti115 1.0 0.12500 0.62500 0.50000 1.0000 + Ti Ti116 1.0 0.08333 0.66667 0.50000 1.0000 + Ti Ti117 1.0 0.04167 0.70833 0.50000 1.0000 + Ti Ti118 1.0 0.00000 0.75000 0.50000 1.0000 + Ti Ti119 1.0 0.95833 0.79167 0.50000 1.0000 + Ti Ti120 1.0 0.91667 0.83333 0.50000 1.0000 + Ti Ti121 1.0 0.41667 0.41667 0.50000 1.0000 + Ti Ti122 1.0 0.37500 0.45833 0.50000 1.0000 + Ti Ti123 1.0 0.33333 0.50000 0.50000 1.0000 + Ti Ti124 1.0 0.29167 0.54167 0.50000 1.0000 + Ti Ti125 1.0 0.25000 0.58333 0.50000 1.0000 + Ti Ti126 1.0 0.20833 0.62500 0.50000 1.0000 + Ti Ti127 1.0 0.16667 0.66667 0.50000 1.0000 + Ti Ti128 1.0 0.12500 0.70833 0.50000 1.0000 + Ti Ti129 1.0 0.08333 0.75000 0.50000 1.0000 + Ti Ti130 1.0 0.04167 0.79167 0.50000 1.0000 + Ti Ti131 1.0 1.00000 0.83333 0.50000 1.0000 + Ti Ti132 1.0 0.95833 0.87500 0.50000 1.0000 + Ti Ti133 1.0 0.45833 0.45833 0.50000 1.0000 + Ti Ti134 1.0 0.41667 0.50000 0.50000 1.0000 + Ti Ti135 1.0 0.37500 0.54167 0.50000 1.0000 + Ti Ti136 1.0 0.33333 0.58333 0.50000 1.0000 + Ti Ti137 1.0 0.29167 0.62500 0.50000 1.0000 + Ti Ti138 1.0 0.25000 0.66667 0.50000 1.0000 + Ti Ti139 1.0 0.20833 0.70833 0.50000 1.0000 + Ti Ti140 1.0 0.16667 0.75000 0.50000 1.0000 + Ti Ti141 1.0 0.12500 0.79167 0.50000 1.0000 + Ti Ti142 1.0 0.08333 0.83333 0.50000 1.0000 + Ti Ti143 1.0 0.04167 0.87500 0.50000 1.0000 + Ti Ti144 1.0 1.00000 0.91667 0.50000 1.0000 + Tl Tl1 1.0 0.98611 0.04167 0.30350 1.0000 + Tl Tl2 1.0 0.94444 0.08333 0.30350 1.0000 + Tl Tl3 1.0 0.90278 0.12500 0.30350 1.0000 + Tl Tl4 1.0 0.86111 0.16667 0.30350 1.0000 + Tl Tl5 1.0 0.81944 0.20833 0.30350 1.0000 + Tl Tl6 1.0 0.77778 0.25000 0.30350 1.0000 + Tl Tl7 1.0 0.73611 0.29167 0.30350 1.0000 + Tl Tl8 1.0 0.69444 0.33333 0.30350 1.0000 + Tl Tl9 1.0 0.65278 0.37500 0.30350 1.0000 + Tl Tl10 1.0 0.61111 0.41667 0.30350 1.0000 + Tl Tl11 1.0 0.56944 0.45833 0.30350 1.0000 + Tl Tl12 1.0 0.52778 0.50000 0.30350 1.0000 + Tl Tl13 1.0 0.02778 0.08333 0.30350 1.0000 + Tl Tl14 1.0 0.98611 0.12500 0.30350 1.0000 + Tl Tl15 1.0 0.94444 0.16667 0.30350 1.0000 + Tl Tl16 1.0 0.90278 0.20833 0.30350 1.0000 + Tl Tl17 1.0 0.86111 0.25000 0.30350 1.0000 + Tl Tl18 1.0 0.81944 0.29167 0.30350 1.0000 + Tl Tl19 1.0 0.77778 0.33333 0.30350 1.0000 + Tl Tl20 1.0 0.73611 0.37500 0.30350 1.0000 + Tl Tl21 1.0 0.69444 0.41667 0.30350 1.0000 + Tl Tl22 1.0 0.65278 0.45833 0.30350 1.0000 + Tl Tl23 1.0 0.61111 0.50000 0.30350 1.0000 + Tl Tl24 1.0 0.56944 0.54167 0.30350 1.0000 + Tl Tl25 1.0 0.06944 0.12500 0.30350 1.0000 + Tl Tl26 1.0 0.02778 0.16667 0.30350 1.0000 + Tl Tl27 1.0 0.98611 0.20833 0.30350 1.0000 + Tl Tl28 1.0 0.94444 0.25000 0.30350 1.0000 + Tl Tl29 1.0 0.90278 0.29167 0.30350 1.0000 + Tl Tl30 1.0 0.86111 0.33333 0.30350 1.0000 + Tl Tl31 1.0 0.81944 0.37500 0.30350 1.0000 + Tl Tl32 1.0 0.77778 0.41667 0.30350 1.0000 + Tl Tl33 1.0 0.73611 0.45833 0.30350 1.0000 + Tl Tl34 1.0 0.69444 0.50000 0.30350 1.0000 + Tl Tl35 1.0 0.65278 0.54167 0.30350 1.0000 + Tl Tl36 1.0 0.61111 0.58333 0.30350 1.0000 + Tl Tl37 1.0 0.11111 0.16667 0.30350 1.0000 + Tl Tl38 1.0 0.06944 0.20833 0.30350 1.0000 + Tl Tl39 1.0 0.02778 0.25000 0.30350 1.0000 + Tl Tl40 1.0 0.98611 0.29167 0.30350 1.0000 + Tl Tl41 1.0 0.94444 0.33333 0.30350 1.0000 + Tl Tl42 1.0 0.90278 0.37500 0.30350 1.0000 + Tl Tl43 1.0 0.86111 0.41667 0.30350 1.0000 + Tl Tl44 1.0 0.81944 0.45833 0.30350 1.0000 + Tl Tl45 1.0 0.77778 0.50000 0.30350 1.0000 + Tl Tl46 1.0 0.73611 0.54167 0.30350 1.0000 + Tl Tl47 1.0 0.69444 0.58333 0.30350 1.0000 + Tl Tl48 1.0 0.65278 0.62500 0.30350 1.0000 + Tl Tl49 1.0 0.15278 0.20833 0.30350 1.0000 + Tl Tl50 1.0 0.11111 0.25000 0.30350 1.0000 + Tl Tl51 1.0 0.06944 0.29167 0.30350 1.0000 + Tl Tl52 1.0 0.02778 0.33333 0.30350 1.0000 + Tl Tl53 1.0 0.98611 0.37500 0.30350 1.0000 + Tl Tl54 1.0 0.94444 0.41667 0.30350 1.0000 + Tl Tl55 1.0 0.90278 0.45833 0.30350 1.0000 + Tl Tl56 1.0 0.86111 0.50000 0.30350 1.0000 + Tl Tl57 1.0 0.81944 0.54167 0.30350 1.0000 + Tl Tl58 1.0 0.77778 0.58333 0.30350 1.0000 + Tl Tl59 1.0 0.73611 0.62500 0.30350 1.0000 + Tl Tl60 1.0 0.69444 0.66667 0.30350 1.0000 + Tl Tl61 1.0 0.19444 0.25000 0.30350 1.0000 + Tl Tl62 1.0 0.15278 0.29167 0.30350 1.0000 + Tl Tl63 1.0 0.11111 0.33333 0.30350 1.0000 + Tl Tl64 1.0 0.06944 0.37500 0.30350 1.0000 + Tl Tl65 1.0 0.02778 0.41667 0.30350 1.0000 + Tl Tl66 1.0 0.98611 0.45833 0.30350 1.0000 + Tl Tl67 1.0 0.94444 0.50000 0.30350 1.0000 + Tl Tl68 1.0 0.90278 0.54167 0.30350 1.0000 + Tl Tl69 1.0 0.86111 0.58333 0.30350 1.0000 + Tl Tl70 1.0 0.81944 0.62500 0.30350 1.0000 + Tl Tl71 1.0 0.77778 0.66667 0.30350 1.0000 + Tl Tl72 1.0 0.73611 0.70833 0.30350 1.0000 + Tl Tl73 1.0 0.23611 0.29167 0.30350 1.0000 + Tl Tl74 1.0 0.19444 0.33333 0.30350 1.0000 + Tl Tl75 1.0 0.15278 0.37500 0.30350 1.0000 + Tl Tl76 1.0 0.11111 0.41667 0.30350 1.0000 + Tl Tl77 1.0 0.06944 0.45833 0.30350 1.0000 + Tl Tl78 1.0 0.02778 0.50000 0.30350 1.0000 + Tl Tl79 1.0 0.98611 0.54167 0.30350 1.0000 + Tl Tl80 1.0 0.94444 0.58333 0.30350 1.0000 + Tl Tl81 1.0 0.90278 0.62500 0.30350 1.0000 + Tl Tl82 1.0 0.86111 0.66667 0.30350 1.0000 + Tl Tl83 1.0 0.81944 0.70833 0.30350 1.0000 + Tl Tl84 1.0 0.77778 0.75000 0.30350 1.0000 + Tl Tl85 1.0 0.27778 0.33333 0.30350 1.0000 + Tl Tl86 1.0 0.23611 0.37500 0.30350 1.0000 + Tl Tl87 1.0 0.19444 0.41667 0.30350 1.0000 + Tl Tl88 1.0 0.15278 0.45833 0.30350 1.0000 + Tl Tl89 1.0 0.11111 0.50000 0.30350 1.0000 + Tl Tl90 1.0 0.06944 0.54167 0.30350 1.0000 + Tl Tl91 1.0 0.02778 0.58333 0.30350 1.0000 + Tl Tl92 1.0 0.98611 0.62500 0.30350 1.0000 + Tl Tl93 1.0 0.94444 0.66667 0.30350 1.0000 + Tl Tl94 1.0 0.90278 0.70833 0.30350 1.0000 + Tl Tl95 1.0 0.86111 0.75000 0.30350 1.0000 + Tl Tl96 1.0 0.81944 0.79167 0.30350 1.0000 + Tl Tl97 1.0 0.31944 0.37500 0.30350 1.0000 + Tl Tl98 1.0 0.27778 0.41667 0.30350 1.0000 + Tl Tl99 1.0 0.23611 0.45833 0.30350 1.0000 + Tl Tl100 1.0 0.19444 0.50000 0.30350 1.0000 + Tl Tl101 1.0 0.15278 0.54167 0.30350 1.0000 + Tl Tl102 1.0 0.11111 0.58333 0.30350 1.0000 + Tl Tl103 1.0 0.06944 0.62500 0.30350 1.0000 + Tl Tl104 1.0 0.02778 0.66667 0.30350 1.0000 + Tl Tl105 1.0 0.98611 0.70833 0.30350 1.0000 + Tl Tl106 1.0 0.94444 0.75000 0.30350 1.0000 + Tl Tl107 1.0 0.90278 0.79167 0.30350 1.0000 + Tl Tl108 1.0 0.86111 0.83333 0.30350 1.0000 + Tl Tl109 1.0 0.36111 0.41667 0.30350 1.0000 + Tl Tl110 1.0 0.31944 0.45833 0.30350 1.0000 + Tl Tl111 1.0 0.27778 0.50000 0.30350 1.0000 + Tl Tl112 1.0 0.23611 0.54167 0.30350 1.0000 + Tl Tl113 1.0 0.19444 0.58333 0.30350 1.0000 + Tl Tl114 1.0 0.15278 0.62500 0.30350 1.0000 + Tl Tl115 1.0 0.11111 0.66667 0.30350 1.0000 + Tl Tl116 1.0 0.06944 0.70833 0.30350 1.0000 + Tl Tl117 1.0 0.02778 0.75000 0.30350 1.0000 + Tl Tl118 1.0 0.98611 0.79167 0.30350 1.0000 + Tl Tl119 1.0 0.94444 0.83333 0.30350 1.0000 + Tl Tl120 1.0 0.90278 0.87500 0.30350 1.0000 + Tl Tl121 1.0 0.40278 0.45833 0.30350 1.0000 + Tl Tl122 1.0 0.36111 0.50000 0.30350 1.0000 + Tl Tl123 1.0 0.31944 0.54167 0.30350 1.0000 + Tl Tl124 1.0 0.27778 0.58333 0.30350 1.0000 + Tl Tl125 1.0 0.23611 0.62500 0.30350 1.0000 + Tl Tl126 1.0 0.19444 0.66667 0.30350 1.0000 + Tl Tl127 1.0 0.15278 0.70833 0.30350 1.0000 + Tl Tl128 1.0 0.11111 0.75000 0.30350 1.0000 + Tl Tl129 1.0 0.06944 0.79167 0.30350 1.0000 + Tl Tl130 1.0 0.02778 0.83333 0.30350 1.0000 + Tl Tl131 1.0 0.98611 0.87500 0.30350 1.0000 + Tl Tl132 1.0 0.94444 0.91667 0.30350 1.0000 + Tl Tl133 1.0 0.44444 0.50000 0.30350 1.0000 + Tl Tl134 1.0 0.40278 0.54167 0.30350 1.0000 + Tl Tl135 1.0 0.36111 0.58333 0.30350 1.0000 + Tl Tl136 1.0 0.31944 0.62500 0.30350 1.0000 + Tl Tl137 1.0 0.27778 0.66667 0.30350 1.0000 + Tl Tl138 1.0 0.23611 0.70833 0.30350 1.0000 + Tl Tl139 1.0 0.19444 0.75000 0.30350 1.0000 + Tl Tl140 1.0 0.15278 0.79167 0.30350 1.0000 + Tl Tl141 1.0 0.11111 0.83333 0.30350 1.0000 + Tl Tl142 1.0 0.06944 0.87500 0.30350 1.0000 + Tl Tl143 1.0 0.02778 0.91667 0.30350 1.0000 + Tl Tl144 1.0 0.98611 0.95833 0.30350 1.0000 + Tl Tl145 1.0 0.01389 0.04167 0.69650 1.0000 + Tl Tl146 1.0 0.97222 0.08333 0.69650 1.0000 + Tl Tl147 1.0 0.93056 0.12500 0.69650 1.0000 + Tl Tl148 1.0 0.88889 0.16667 0.69650 1.0000 + Tl Tl149 1.0 0.84722 0.20833 0.69650 1.0000 + Tl Tl150 1.0 0.80556 0.25000 0.69650 1.0000 + Tl Tl151 1.0 0.76389 0.29167 0.69650 1.0000 + Tl Tl152 1.0 0.72222 0.33333 0.69650 1.0000 + Tl Tl153 1.0 0.68056 0.37500 0.69650 1.0000 + Tl Tl154 1.0 0.63889 0.41667 0.69650 1.0000 + Tl Tl155 1.0 0.59722 0.45833 0.69650 1.0000 + Tl Tl156 1.0 0.55556 0.50000 0.69650 1.0000 + Tl Tl157 1.0 0.05556 0.08333 0.69650 1.0000 + Tl Tl158 1.0 0.01389 0.12500 0.69650 1.0000 + Tl Tl159 1.0 0.97222 0.16667 0.69650 1.0000 + Tl Tl160 1.0 0.93056 0.20833 0.69650 1.0000 + Tl Tl161 1.0 0.88889 0.25000 0.69650 1.0000 + Tl Tl162 1.0 0.84722 0.29167 0.69650 1.0000 + Tl Tl163 1.0 0.80556 0.33333 0.69650 1.0000 + Tl Tl164 1.0 0.76389 0.37500 0.69650 1.0000 + Tl Tl165 1.0 0.72222 0.41667 0.69650 1.0000 + Tl Tl166 1.0 0.68056 0.45833 0.69650 1.0000 + Tl Tl167 1.0 0.63889 0.50000 0.69650 1.0000 + Tl Tl168 1.0 0.59722 0.54167 0.69650 1.0000 + Tl Tl169 1.0 0.09722 0.12500 0.69650 1.0000 + Tl Tl170 1.0 0.05556 0.16667 0.69650 1.0000 + Tl Tl171 1.0 0.01389 0.20833 0.69650 1.0000 + Tl Tl172 1.0 0.97222 0.25000 0.69650 1.0000 + Tl Tl173 1.0 0.93056 0.29167 0.69650 1.0000 + Tl Tl174 1.0 0.88889 0.33333 0.69650 1.0000 + Tl Tl175 1.0 0.84722 0.37500 0.69650 1.0000 + Tl Tl176 1.0 0.80556 0.41667 0.69650 1.0000 + Tl Tl177 1.0 0.76389 0.45833 0.69650 1.0000 + Tl Tl178 1.0 0.72222 0.50000 0.69650 1.0000 + Tl Tl179 1.0 0.68056 0.54167 0.69650 1.0000 + Tl Tl180 1.0 0.63889 0.58333 0.69650 1.0000 + Tl Tl181 1.0 0.13889 0.16667 0.69650 1.0000 + Tl Tl182 1.0 0.09722 0.20833 0.69650 1.0000 + Tl Tl183 1.0 0.05556 0.25000 0.69650 1.0000 + Tl Tl184 1.0 0.01389 0.29167 0.69650 1.0000 + Tl Tl185 1.0 0.97222 0.33333 0.69650 1.0000 + Tl Tl186 1.0 0.93056 0.37500 0.69650 1.0000 + Tl Tl187 1.0 0.88889 0.41667 0.69650 1.0000 + Tl Tl188 1.0 0.84722 0.45833 0.69650 1.0000 + Tl Tl189 1.0 0.80556 0.50000 0.69650 1.0000 + Tl Tl190 1.0 0.76389 0.54167 0.69650 1.0000 + Tl Tl191 1.0 0.72222 0.58333 0.69650 1.0000 + Tl Tl192 1.0 0.68056 0.62500 0.69650 1.0000 + Tl Tl193 1.0 0.18056 0.20833 0.69650 1.0000 + Tl Tl194 1.0 0.13889 0.25000 0.69650 1.0000 + Tl Tl195 1.0 0.09722 0.29167 0.69650 1.0000 + Tl Tl196 1.0 0.05556 0.33333 0.69650 1.0000 + Tl Tl197 1.0 0.01389 0.37500 0.69650 1.0000 + Tl Tl198 1.0 0.97222 0.41667 0.69650 1.0000 + Tl Tl199 1.0 0.93056 0.45833 0.69650 1.0000 + Tl Tl200 1.0 0.88889 0.50000 0.69650 1.0000 + Tl Tl201 1.0 0.84722 0.54167 0.69650 1.0000 + Tl Tl202 1.0 0.80556 0.58333 0.69650 1.0000 + Tl Tl203 1.0 0.76389 0.62500 0.69650 1.0000 + Tl Tl204 1.0 0.72222 0.66667 0.69650 1.0000 + Tl Tl205 1.0 0.22222 0.25000 0.69650 1.0000 + Tl Tl206 1.0 0.18056 0.29167 0.69650 1.0000 + Tl Tl207 1.0 0.13889 0.33333 0.69650 1.0000 + Tl Tl208 1.0 0.09722 0.37500 0.69650 1.0000 + Tl Tl209 1.0 0.05556 0.41667 0.69650 1.0000 + Tl Tl210 1.0 0.01389 0.45833 0.69650 1.0000 + Tl Tl211 1.0 0.97222 0.50000 0.69650 1.0000 + Tl Tl212 1.0 0.93056 0.54167 0.69650 1.0000 + Tl Tl213 1.0 0.88889 0.58333 0.69650 1.0000 + Tl Tl214 1.0 0.84722 0.62500 0.69650 1.0000 + Tl Tl215 1.0 0.80556 0.66667 0.69650 1.0000 + Tl Tl216 1.0 0.76389 0.70833 0.69650 1.0000 + Tl Tl217 1.0 0.26389 0.29167 0.69650 1.0000 + Tl Tl218 1.0 0.22222 0.33333 0.69650 1.0000 + Tl Tl219 1.0 0.18056 0.37500 0.69650 1.0000 + Tl Tl220 1.0 0.13889 0.41667 0.69650 1.0000 + Tl Tl221 1.0 0.09722 0.45833 0.69650 1.0000 + Tl Tl222 1.0 0.05556 0.50000 0.69650 1.0000 + Tl Tl223 1.0 0.01389 0.54167 0.69650 1.0000 + Tl Tl224 1.0 0.97222 0.58333 0.69650 1.0000 + Tl Tl225 1.0 0.93056 0.62500 0.69650 1.0000 + Tl Tl226 1.0 0.88889 0.66667 0.69650 1.0000 + Tl Tl227 1.0 0.84722 0.70833 0.69650 1.0000 + Tl Tl228 1.0 0.80556 0.75000 0.69650 1.0000 + Tl Tl229 1.0 0.30556 0.33333 0.69650 1.0000 + Tl Tl230 1.0 0.26389 0.37500 0.69650 1.0000 + Tl Tl231 1.0 0.22222 0.41667 0.69650 1.0000 + Tl Tl232 1.0 0.18056 0.45833 0.69650 1.0000 + Tl Tl233 1.0 0.13889 0.50000 0.69650 1.0000 + Tl Tl234 1.0 0.09722 0.54167 0.69650 1.0000 + Tl Tl235 1.0 0.05556 0.58333 0.69650 1.0000 + Tl Tl236 1.0 0.01389 0.62500 0.69650 1.0000 + Tl Tl237 1.0 0.97222 0.66667 0.69650 1.0000 + Tl Tl238 1.0 0.93056 0.70833 0.69650 1.0000 + Tl Tl239 1.0 0.88889 0.75000 0.69650 1.0000 + Tl Tl240 1.0 0.84722 0.79167 0.69650 1.0000 + Tl Tl241 1.0 0.34722 0.37500 0.69650 1.0000 + Tl Tl242 1.0 0.30556 0.41667 0.69650 1.0000 + Tl Tl243 1.0 0.26389 0.45833 0.69650 1.0000 + Tl Tl244 1.0 0.22222 0.50000 0.69650 1.0000 + Tl Tl245 1.0 0.18056 0.54167 0.69650 1.0000 + Tl Tl246 1.0 0.13889 0.58333 0.69650 1.0000 + Tl Tl247 1.0 0.09722 0.62500 0.69650 1.0000 + Tl Tl248 1.0 0.05556 0.66667 0.69650 1.0000 + Tl Tl249 1.0 0.01389 0.70833 0.69650 1.0000 + Tl Tl250 1.0 0.97222 0.75000 0.69650 1.0000 + Tl Tl251 1.0 0.93056 0.79167 0.69650 1.0000 + Tl Tl252 1.0 0.88889 0.83333 0.69650 1.0000 + Tl Tl253 1.0 0.38889 0.41667 0.69650 1.0000 + Tl Tl254 1.0 0.34722 0.45833 0.69650 1.0000 + Tl Tl255 1.0 0.30556 0.50000 0.69650 1.0000 + Tl Tl256 1.0 0.26389 0.54167 0.69650 1.0000 + Tl Tl257 1.0 0.22222 0.58333 0.69650 1.0000 + Tl Tl258 1.0 0.18056 0.62500 0.69650 1.0000 + Tl Tl259 1.0 0.13889 0.66667 0.69650 1.0000 + Tl Tl260 1.0 0.09722 0.70833 0.69650 1.0000 + Tl Tl261 1.0 0.05556 0.75000 0.69650 1.0000 + Tl Tl262 1.0 0.01389 0.79167 0.69650 1.0000 + Tl Tl263 1.0 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0.11218 0.62500 0.33942 1.0000 + F F680 1.0 0.07052 0.66667 0.33942 1.0000 + F F681 1.0 0.02885 0.70833 0.33942 1.0000 + F F682 1.0 0.98718 0.75000 0.33942 1.0000 + F F683 1.0 0.94552 0.79167 0.33942 1.0000 + F F684 1.0 0.90385 0.83333 0.33942 1.0000 + F F685 1.0 0.40385 0.41667 0.33942 1.0000 + F F686 1.0 0.36218 0.45833 0.33942 1.0000 + F F687 1.0 0.32052 0.50000 0.33942 1.0000 + F F688 1.0 0.27885 0.54167 0.33942 1.0000 + F F689 1.0 0.23718 0.58333 0.33942 1.0000 + F F690 1.0 0.19552 0.62500 0.33942 1.0000 + F F691 1.0 0.15385 0.66667 0.33942 1.0000 + F F692 1.0 0.11218 0.70833 0.33942 1.0000 + F F693 1.0 0.07052 0.75000 0.33942 1.0000 + F F694 1.0 0.02885 0.79167 0.33942 1.0000 + F F695 1.0 0.98718 0.83333 0.33942 1.0000 + F F696 1.0 0.94552 0.87500 0.33942 1.0000 + F F697 1.0 0.44552 0.45833 0.33942 1.0000 + F F698 1.0 0.40385 0.50000 0.33942 1.0000 + F F699 1.0 0.36218 0.54167 0.33942 1.0000 + F F700 1.0 0.32052 0.58333 0.33942 1.0000 + F F701 1.0 0.27885 0.62500 0.33942 1.0000 + F F702 1.0 0.23718 0.66667 0.33942 1.0000 + F F703 1.0 0.19552 0.70833 0.33942 1.0000 + F F704 1.0 0.15385 0.75000 0.33942 1.0000 + F F705 1.0 0.11218 0.79167 0.33942 1.0000 + F F706 1.0 0.07052 0.83333 0.33942 1.0000 + F F707 1.0 0.02885 0.87500 0.33942 1.0000 + F F708 1.0 0.98718 0.91667 0.33942 1.0000 + F F709 1.0 0.48718 0.50000 0.33942 1.0000 + F F710 1.0 0.44552 0.54167 0.33942 1.0000 + F F711 1.0 0.40385 0.58333 0.33942 1.0000 + F F712 1.0 0.36218 0.62500 0.33942 1.0000 + F F713 1.0 0.32052 0.66667 0.33942 1.0000 + F F714 1.0 0.27885 0.70833 0.33942 1.0000 + F F715 1.0 0.23718 0.75000 0.33942 1.0000 + F F716 1.0 0.19552 0.79167 0.33942 1.0000 + F F717 1.0 0.15385 0.83333 0.33942 1.0000 + F F718 1.0 0.11218 0.87500 0.33942 1.0000 + F F719 1.0 0.07052 0.91667 0.33942 1.0000 + F F720 1.0 0.02885 0.95833 0.33942 1.0000 + F F721 1.0 0.00641 0.01923 0.33942 1.0000 + F F722 1.0 0.96474 0.06089 0.33942 1.0000 + F F723 1.0 0.92308 0.10256 0.33942 1.0000 + F F724 1.0 0.88141 0.14423 0.33942 1.0000 + F F725 1.0 0.83974 0.18589 0.33942 1.0000 + F F726 1.0 0.79808 0.22756 0.33942 1.0000 + F F727 1.0 0.75641 0.26923 0.33942 1.0000 + F F728 1.0 0.71474 0.31089 0.33942 1.0000 + F F729 1.0 0.67308 0.35256 0.33942 1.0000 + F F730 1.0 0.63141 0.39423 0.33942 1.0000 + F F731 1.0 0.58974 0.43589 0.33942 1.0000 + F F732 1.0 0.54808 0.47756 0.33942 1.0000 + F F733 1.0 0.04808 0.06089 0.33942 1.0000 + F F734 1.0 0.00641 0.10256 0.33942 1.0000 + F F735 1.0 0.96474 0.14423 0.33942 1.0000 + F F736 1.0 0.92308 0.18589 0.33942 1.0000 + F F737 1.0 0.88141 0.22756 0.33942 1.0000 + F F738 1.0 0.83974 0.26923 0.33942 1.0000 + F F739 1.0 0.79808 0.31089 0.33942 1.0000 + F F740 1.0 0.75641 0.35256 0.33942 1.0000 + F F741 1.0 0.71474 0.39423 0.33942 1.0000 + F F742 1.0 0.67308 0.43589 0.33942 1.0000 + F F743 1.0 0.63141 0.47756 0.33942 1.0000 + F F744 1.0 0.58974 0.51923 0.33942 1.0000 + F F745 1.0 0.08974 0.10256 0.33942 1.0000 + F F746 1.0 0.04808 0.14423 0.33942 1.0000 + F F747 1.0 0.00641 0.18589 0.33942 1.0000 + F F748 1.0 0.96474 0.22756 0.33942 1.0000 + F F749 1.0 0.92308 0.26923 0.33942 1.0000 + F F750 1.0 0.88141 0.31089 0.33942 1.0000 + F F751 1.0 0.83974 0.35256 0.33942 1.0000 + F F752 1.0 0.79808 0.39423 0.33942 1.0000 + F F753 1.0 0.75641 0.43589 0.33942 1.0000 + F F754 1.0 0.71474 0.47756 0.33942 1.0000 + F F755 1.0 0.67308 0.51923 0.33942 1.0000 + F F756 1.0 0.63141 0.56089 0.33942 1.0000 + F F757 1.0 0.13141 0.14423 0.33942 1.0000 + F F758 1.0 0.08974 0.18589 0.33942 1.0000 + F F759 1.0 0.04808 0.22756 0.33942 1.0000 + F F760 1.0 0.00641 0.26923 0.33942 1.0000 + F F761 1.0 0.96474 0.31089 0.33942 1.0000 + F F762 1.0 0.92308 0.35256 0.33942 1.0000 + F F763 1.0 0.88141 0.39423 0.33942 1.0000 + F F764 1.0 0.83974 0.43589 0.33942 1.0000 + F F765 1.0 0.79808 0.47756 0.33942 1.0000 + F F766 1.0 0.75641 0.51923 0.33942 1.0000 + F F767 1.0 0.71474 0.56089 0.33942 1.0000 + F F768 1.0 0.67308 0.60256 0.33942 1.0000 + F F769 1.0 0.17308 0.18589 0.33942 1.0000 + F F770 1.0 0.13141 0.22756 0.33942 1.0000 + F F771 1.0 0.08974 0.26923 0.33942 1.0000 + F F772 1.0 0.04808 0.31089 0.33942 1.0000 + F F773 1.0 0.00641 0.35256 0.33942 1.0000 + F F774 1.0 0.96474 0.39423 0.33942 1.0000 + F F775 1.0 0.92308 0.43589 0.33942 1.0000 + F F776 1.0 0.88141 0.47756 0.33942 1.0000 + F F777 1.0 0.83974 0.51923 0.33942 1.0000 + F F778 1.0 0.79808 0.56089 0.33942 1.0000 + F F779 1.0 0.75641 0.60256 0.33942 1.0000 + F F780 1.0 0.71474 0.64423 0.33942 1.0000 + F F781 1.0 0.21474 0.22756 0.33942 1.0000 + F F782 1.0 0.17308 0.26923 0.33942 1.0000 + F F783 1.0 0.13141 0.31089 0.33942 1.0000 + F F784 1.0 0.08974 0.35256 0.33942 1.0000 + F F785 1.0 0.04808 0.39423 0.33942 1.0000 + F F786 1.0 0.00641 0.43589 0.33942 1.0000 + F F787 1.0 0.96474 0.47756 0.33942 1.0000 + F F788 1.0 0.92308 0.51923 0.33942 1.0000 + F F789 1.0 0.88141 0.56089 0.33942 1.0000 + F F790 1.0 0.83974 0.60256 0.33942 1.0000 + F F791 1.0 0.79808 0.64423 0.33942 1.0000 + F F792 1.0 0.75641 0.68589 0.33942 1.0000 + F F793 1.0 0.25641 0.26923 0.33942 1.0000 + F F794 1.0 0.21474 0.31089 0.33942 1.0000 + F F795 1.0 0.17308 0.35256 0.33942 1.0000 + F F796 1.0 0.13141 0.39423 0.33942 1.0000 + F F797 1.0 0.08974 0.43589 0.33942 1.0000 + F F798 1.0 0.04808 0.47756 0.33942 1.0000 + F F799 1.0 0.00641 0.51923 0.33942 1.0000 + F F800 1.0 0.96474 0.56089 0.33942 1.0000 + F F801 1.0 0.92308 0.60256 0.33942 1.0000 + F F802 1.0 0.88141 0.64423 0.33942 1.0000 + F F803 1.0 0.83974 0.68589 0.33942 1.0000 + F F804 1.0 0.79808 0.72756 0.33942 1.0000 + F F805 1.0 0.29808 0.31089 0.33942 1.0000 + F F806 1.0 0.25641 0.35256 0.33942 1.0000 + F F807 1.0 0.21474 0.39423 0.33942 1.0000 + F F808 1.0 0.17308 0.43589 0.33942 1.0000 + F F809 1.0 0.13141 0.47756 0.33942 1.0000 + F F810 1.0 0.08974 0.51923 0.33942 1.0000 + F F811 1.0 0.04808 0.56089 0.33942 1.0000 + F F812 1.0 0.00641 0.60256 0.33942 1.0000 + F F813 1.0 0.96474 0.64423 0.33942 1.0000 + F F814 1.0 0.92308 0.68589 0.33942 1.0000 + F F815 1.0 0.88141 0.72756 0.33942 1.0000 + F F816 1.0 0.83974 0.76923 0.33942 1.0000 + F F817 1.0 0.33974 0.35256 0.33942 1.0000 + F F818 1.0 0.29808 0.39423 0.33942 1.0000 + F F819 1.0 0.25641 0.43589 0.33942 1.0000 + F F820 1.0 0.21474 0.47756 0.33942 1.0000 + F F821 1.0 0.17308 0.51923 0.33942 1.0000 + F F822 1.0 0.13141 0.56089 0.33942 1.0000 + F F823 1.0 0.08974 0.60256 0.33942 1.0000 + F F824 1.0 0.04808 0.64423 0.33942 1.0000 + F F825 1.0 0.00641 0.68589 0.33942 1.0000 + F F826 1.0 0.96474 0.72756 0.33942 1.0000 + F F827 1.0 0.92308 0.76923 0.33942 1.0000 + F F828 1.0 0.88141 0.81089 0.33942 1.0000 + F F829 1.0 0.38141 0.39423 0.33942 1.0000 + F F830 1.0 0.33974 0.43589 0.33942 1.0000 + F F831 1.0 0.29808 0.47756 0.33942 1.0000 + F F832 1.0 0.25641 0.51923 0.33942 1.0000 + F F833 1.0 0.21474 0.56089 0.33942 1.0000 + F F834 1.0 0.17308 0.60256 0.33942 1.0000 + F F835 1.0 0.13141 0.64423 0.33942 1.0000 + F F836 1.0 0.08974 0.68589 0.33942 1.0000 + F F837 1.0 0.04808 0.72756 0.33942 1.0000 + F F838 1.0 0.00641 0.76923 0.33942 1.0000 + F F839 1.0 0.96474 0.81089 0.33942 1.0000 + F F840 1.0 0.92308 0.85256 0.33942 1.0000 + F F841 1.0 0.42308 0.43589 0.33942 1.0000 + F F842 1.0 0.38141 0.47756 0.33942 1.0000 + F F843 1.0 0.33974 0.51923 0.33942 1.0000 + F F844 1.0 0.29808 0.56089 0.33942 1.0000 + F F845 1.0 0.25641 0.60256 0.33942 1.0000 + F F846 1.0 0.21474 0.64423 0.33942 1.0000 + F F847 1.0 0.17308 0.68589 0.33942 1.0000 + F F848 1.0 0.13141 0.72756 0.33942 1.0000 + F F849 1.0 0.08974 0.76923 0.33942 1.0000 + F F850 1.0 0.04808 0.81089 0.33942 1.0000 + F F851 1.0 0.00641 0.85256 0.33942 1.0000 + F F852 1.0 0.96474 0.89423 0.33942 1.0000 + F F853 1.0 0.46474 0.47756 0.33942 1.0000 + F F854 1.0 0.42308 0.51923 0.33942 1.0000 + F F855 1.0 0.38141 0.56089 0.33942 1.0000 + F F856 1.0 0.33974 0.60256 0.33942 1.0000 + F F857 1.0 0.29808 0.64423 0.33942 1.0000 + F F858 1.0 0.25641 0.68589 0.33942 1.0000 + F F859 1.0 0.21474 0.72756 0.33942 1.0000 + F F860 1.0 0.17308 0.76923 0.33942 1.0000 + F F861 1.0 0.13141 0.81089 0.33942 1.0000 + F F862 1.0 0.08974 0.85256 0.33942 1.0000 + F F863 1.0 0.04808 0.89423 0.33942 1.0000 + F F864 1.0 0.00641 0.93589 0.33942 1.0000 + Ti Ti145 1.0 0.50000 0.50000 0.50000 1.0000 + Ti Ti146 1.0 0.45833 0.54167 0.50000 1.0000 + Ti Ti147 1.0 0.41667 0.58333 0.50000 1.0000 + Ti Ti148 1.0 0.37500 0.62500 0.50000 1.0000 + Ti Ti149 1.0 0.33333 0.66667 0.50000 1.0000 + Ti Ti150 1.0 0.29167 0.70833 0.50000 1.0000 + Ti Ti151 1.0 0.25000 0.75000 0.50000 1.0000 + Ti Ti152 1.0 0.70833 0.29167 0.50000 1.0000 + Ti Ti153 1.0 0.16667 0.83333 0.50000 1.0000 + Ti Ti154 1.0 0.12500 0.87500 0.50000 1.0000 + Ti Ti155 1.0 0.08333 0.91667 0.50000 1.0000 + Ti Ti156 1.0 0.04167 0.95833 0.50000 1.0000 + Ti Ti157 1.0 0.54167 0.54167 0.50000 1.0000 + Ti Ti158 1.0 0.50000 0.58333 0.50000 1.0000 + Ti Ti159 1.0 0.45833 0.62500 0.50000 1.0000 + Ti Ti160 1.0 0.41667 0.66667 0.50000 1.0000 + Ti Ti161 1.0 0.37500 0.70833 0.50000 1.0000 + Ti Ti162 1.0 0.33333 0.75000 0.50000 1.0000 + Ti Ti163 1.0 0.29167 0.79167 0.50000 1.0000 + Ti Ti164 1.0 0.25000 0.83333 0.50000 1.0000 + Ti Ti165 1.0 0.20833 0.87500 0.50000 1.0000 + Ti Ti166 1.0 0.16667 0.91667 0.50000 1.0000 + Ti Ti167 1.0 0.12500 0.95833 0.50000 1.0000 + Ti Ti168 1.0 0.08333 0.00000 0.50000 1.0000 + Ti Ti169 1.0 0.58333 0.58333 0.50000 1.0000 + Ti Ti170 1.0 0.54167 0.62500 0.50000 1.0000 + Ti Ti171 1.0 0.50000 0.66667 0.50000 1.0000 + Ti Ti172 1.0 0.45833 0.70833 0.50000 1.0000 + Ti Ti173 1.0 0.41667 0.75000 0.50000 1.0000 + Ti Ti174 1.0 0.37500 0.79167 0.50000 1.0000 + Ti Ti175 1.0 0.33333 0.83333 0.50000 1.0000 + Ti Ti176 1.0 0.29167 0.87500 0.50000 1.0000 + Ti Ti177 1.0 0.25000 0.91667 0.50000 1.0000 + Ti Ti178 1.0 0.20833 0.95833 0.50000 1.0000 + Ti Ti179 1.0 0.16667 0.00000 0.50000 1.0000 + Ti Ti180 1.0 0.12500 0.04167 0.50000 1.0000 + Ti Ti181 1.0 0.62500 0.62500 0.50000 1.0000 + Ti Ti182 1.0 0.58333 0.66667 0.50000 1.0000 + Ti Ti183 1.0 0.54167 0.70833 0.50000 1.0000 + Ti Ti184 1.0 0.50000 0.75000 0.50000 1.0000 + Ti Ti185 1.0 0.45833 0.79167 0.50000 1.0000 + Ti Ti186 1.0 0.41667 0.83333 0.50000 1.0000 + Ti Ti187 1.0 0.37500 0.87500 0.50000 1.0000 + Ti Ti188 1.0 0.33333 0.91667 0.50000 1.0000 + Ti Ti189 1.0 0.29167 0.95833 0.50000 1.0000 + Ti Ti190 1.0 0.25000 0.00000 0.50000 1.0000 + Ti Ti191 1.0 0.20833 0.04167 0.50000 1.0000 + Ti Ti192 1.0 0.16667 0.08333 0.50000 1.0000 + Ti Ti193 1.0 0.66667 0.66667 0.50000 1.0000 + Ti Ti194 1.0 0.62500 0.70833 0.50000 1.0000 + Ti Ti195 1.0 0.58333 0.75000 0.50000 1.0000 + Ti Ti196 1.0 0.54167 0.79167 0.50000 1.0000 + Ti Ti197 1.0 0.50000 0.83333 0.50000 1.0000 + Ti Ti198 1.0 0.45833 0.87500 0.50000 1.0000 + Ti Ti199 1.0 0.41667 0.91667 0.50000 1.0000 + Ti Ti200 1.0 0.37500 0.95833 0.50000 1.0000 + Ti Ti201 1.0 0.33333 0.00000 0.50000 1.0000 + Ti Ti202 1.0 0.29167 0.04167 0.50000 1.0000 + Ti Ti203 1.0 0.25000 0.08333 0.50000 1.0000 + Ti Ti204 1.0 0.20833 0.12500 0.50000 1.0000 + Ti Ti205 1.0 0.70833 0.70833 0.50000 1.0000 + Ti Ti206 1.0 0.66667 0.75000 0.50000 1.0000 + Ti Ti207 1.0 0.62500 0.79167 0.50000 1.0000 + Ti Ti208 1.0 0.58333 0.83333 0.50000 1.0000 + Ti Ti209 1.0 0.54167 0.87500 0.50000 1.0000 + Ti Ti210 1.0 0.50000 0.91667 0.50000 1.0000 + Ti Ti211 1.0 0.45833 0.95833 0.50000 1.0000 + Ti Ti212 1.0 0.41667 0.00000 0.50000 1.0000 + Ti Ti213 1.0 0.37500 0.04167 0.50000 1.0000 + Ti Ti214 1.0 0.33333 0.08333 0.50000 1.0000 + Ti Ti215 1.0 0.29167 0.12500 0.50000 1.0000 + Ti Ti216 1.0 0.25000 0.16667 0.50000 1.0000 + Ti Ti217 1.0 0.75000 0.75000 0.50000 1.0000 + Ti Ti218 1.0 0.70833 0.79167 0.50000 1.0000 + Ti Ti219 1.0 0.66667 0.83333 0.50000 1.0000 + Ti Ti220 1.0 0.62500 0.87500 0.50000 1.0000 + Ti Ti221 1.0 0.58333 0.91667 0.50000 1.0000 + Ti Ti222 1.0 0.54167 0.95833 0.50000 1.0000 + Ti Ti223 1.0 0.50000 0.00000 0.50000 1.0000 + Ti Ti224 1.0 0.45833 0.04167 0.50000 1.0000 + Ti Ti225 1.0 0.41667 0.08333 0.50000 1.0000 + Ti Ti226 1.0 0.37500 0.12500 0.50000 1.0000 + Ti Ti227 1.0 0.33333 0.16667 0.50000 1.0000 + Ti Ti228 1.0 0.29167 0.20833 0.50000 1.0000 + Ti Ti229 1.0 0.79167 0.79167 0.50000 1.0000 + Ti Ti230 1.0 0.75000 0.83333 0.50000 1.0000 + Ti Ti231 1.0 0.70833 0.87500 0.50000 1.0000 + Ti Ti232 1.0 0.66667 0.91667 0.50000 1.0000 + Ti Ti233 1.0 0.62500 0.95833 0.50000 1.0000 + Ti Ti234 1.0 0.58333 0.00000 0.50000 1.0000 + Ti Ti235 1.0 0.54167 0.04167 0.50000 1.0000 + Ti Ti236 1.0 0.50000 0.08333 0.50000 1.0000 + Ti Ti237 1.0 0.45833 0.12500 0.50000 1.0000 + Ti Ti238 1.0 0.41667 0.16667 0.50000 1.0000 + Ti Ti239 1.0 0.37500 0.20833 0.50000 1.0000 + Ti Ti240 1.0 0.33333 0.25000 0.50000 1.0000 + Ti Ti241 1.0 0.83333 0.83333 0.50000 1.0000 + Ti Ti242 1.0 0.79167 0.87500 0.50000 1.0000 + Ti Ti243 1.0 0.75000 0.91667 0.50000 1.0000 + Ti Ti244 1.0 0.70833 0.95833 0.50000 1.0000 + Ti Ti245 1.0 0.66667 0.00000 0.50000 1.0000 + Ti Ti246 1.0 0.62500 0.04167 0.50000 1.0000 + Ti Ti247 1.0 0.58333 0.08333 0.50000 1.0000 + Ti Ti248 1.0 0.54167 0.12500 0.50000 1.0000 + Ti Ti249 1.0 0.50000 0.16667 0.50000 1.0000 + Ti Ti250 1.0 0.45833 0.20833 0.50000 1.0000 + Ti Ti251 1.0 0.41667 0.25000 0.50000 1.0000 + Ti Ti252 1.0 0.37500 0.29167 0.50000 1.0000 + Ti Ti253 1.0 0.87500 0.87500 0.50000 1.0000 + Ti Ti254 1.0 0.83333 0.91667 0.50000 1.0000 + Ti Ti255 1.0 0.79167 0.95833 0.50000 1.0000 + Ti Ti256 1.0 0.75000 0.00000 0.50000 1.0000 + Ti Ti257 1.0 0.70833 0.04167 0.50000 1.0000 + Ti Ti258 1.0 0.66667 0.08333 0.50000 1.0000 + Ti Ti259 1.0 0.62500 0.12500 0.50000 1.0000 + Ti Ti260 1.0 0.58333 0.16667 0.50000 1.0000 + Ti Ti261 1.0 0.54167 0.20833 0.50000 1.0000 + Ti Ti262 1.0 0.50000 0.25000 0.50000 1.0000 + Ti Ti263 1.0 0.45833 0.29167 0.50000 1.0000 + Ti Ti264 1.0 0.41667 0.33333 0.50000 1.0000 + Ti Ti265 1.0 0.91667 0.91667 0.50000 1.0000 + Ti Ti266 1.0 0.87500 0.95833 0.50000 1.0000 + Ti Ti267 1.0 0.83333 0.00000 0.50000 1.0000 + Ti Ti268 1.0 0.79167 0.04167 0.50000 1.0000 + Ti Ti269 1.0 0.75000 0.08333 0.50000 1.0000 + Ti Ti270 1.0 0.70833 0.12500 0.50000 1.0000 + Ti Ti271 1.0 0.66667 0.16667 0.50000 1.0000 + Ti Ti272 1.0 0.62500 0.20833 0.50000 1.0000 + Ti Ti273 1.0 0.58333 0.25000 0.50000 1.0000 + Ti Ti274 1.0 0.54167 0.29167 0.50000 1.0000 + Ti Ti275 1.0 0.50000 0.33333 0.50000 1.0000 + Ti Ti276 1.0 0.45833 0.37500 0.50000 1.0000 + Ti Ti277 1.0 0.95833 0.95833 0.50000 1.0000 + Ti Ti278 1.0 0.91667 0.00000 0.50000 1.0000 + Ti Ti279 1.0 0.87500 0.04167 0.50000 1.0000 + Ti Ti280 1.0 0.83333 0.08333 0.50000 1.0000 + Ti Ti281 1.0 0.79167 0.12500 0.50000 1.0000 + Ti Ti282 1.0 0.75000 0.16667 0.50000 1.0000 + Ti Ti283 1.0 0.70833 0.20833 0.50000 1.0000 + Ti Ti284 1.0 0.66667 0.25000 0.50000 1.0000 + Ti Ti285 1.0 0.62500 0.29167 0.50000 1.0000 + Ti Ti286 1.0 0.58333 0.33333 0.50000 1.0000 + Ti Ti287 1.0 0.54167 0.37500 0.50000 1.0000 + Ti Ti288 1.0 0.50000 0.41667 0.50000 1.0000 + Tl Tl289 1.0 0.48611 0.54167 0.30350 1.0000 + Tl Tl290 1.0 0.44444 0.58333 0.30350 1.0000 + Tl Tl291 1.0 0.40278 0.62500 0.30350 1.0000 + Tl Tl292 1.0 0.36111 0.66667 0.30350 1.0000 + Tl Tl293 1.0 0.31944 0.70833 0.30350 1.0000 + Tl Tl294 1.0 0.27778 0.75000 0.30350 1.0000 + Tl Tl295 1.0 0.23611 0.79167 0.30350 1.0000 + Tl Tl296 1.0 0.19444 0.83333 0.30350 1.0000 + Tl Tl297 1.0 0.15278 0.87500 0.30350 1.0000 + Tl Tl298 1.0 0.11111 0.91667 0.30350 1.0000 + Tl Tl299 1.0 0.06944 0.95833 0.30350 1.0000 + Tl Tl300 1.0 0.02778 1.00000 0.30350 1.0000 + Tl Tl301 1.0 0.52778 0.58333 0.30350 1.0000 + Tl Tl302 1.0 0.48611 0.62500 0.30350 1.0000 + Tl Tl303 1.0 0.44444 0.66667 0.30350 1.0000 + Tl Tl304 1.0 0.40278 0.70833 0.30350 1.0000 + Tl Tl305 1.0 0.36111 0.75000 0.30350 1.0000 + Tl Tl306 1.0 0.31944 0.79167 0.30350 1.0000 + Tl Tl307 1.0 0.27778 0.83333 0.30350 1.0000 + Tl Tl308 1.0 0.23611 0.87500 0.30350 1.0000 + Tl Tl309 1.0 0.19444 0.91667 0.30350 1.0000 + Tl Tl310 1.0 0.15278 0.95833 0.30350 1.0000 + Tl Tl311 1.0 0.11111 0.00000 0.30350 1.0000 + Tl Tl312 1.0 0.06944 0.04167 0.30350 1.0000 + Tl Tl313 1.0 0.56944 0.62500 0.30350 1.0000 + Tl Tl314 1.0 0.52778 0.66667 0.30350 1.0000 + Tl Tl315 1.0 0.48611 0.70833 0.30350 1.0000 + Tl Tl316 1.0 0.44444 0.75000 0.30350 1.0000 + Tl Tl317 1.0 0.40278 0.79167 0.30350 1.0000 + Tl Tl318 1.0 0.36111 0.83333 0.30350 1.0000 + Tl Tl319 1.0 0.31944 0.87500 0.30350 1.0000 + Tl Tl320 1.0 0.27778 0.91667 0.30350 1.0000 + Tl Tl321 1.0 0.23611 0.95833 0.30350 1.0000 + Tl Tl322 1.0 0.19444 0.00000 0.30350 1.0000 + Tl Tl323 1.0 0.15278 0.04167 0.30350 1.0000 + Tl Tl324 1.0 0.11111 0.08333 0.30350 1.0000 + Tl Tl325 1.0 0.61111 0.66667 0.30350 1.0000 + Tl Tl326 1.0 0.56944 0.70833 0.30350 1.0000 + Tl Tl327 1.0 0.52778 0.75000 0.30350 1.0000 + Tl Tl328 1.0 0.48611 0.79167 0.30350 1.0000 + Tl Tl329 1.0 0.44444 0.83333 0.30350 1.0000 + Tl Tl330 1.0 0.40278 0.87500 0.30350 1.0000 + Tl Tl331 1.0 0.36111 0.91667 0.30350 1.0000 + Tl Tl332 1.0 0.31944 0.95833 0.30350 1.0000 + Tl Tl333 1.0 0.27778 0.00000 0.30350 1.0000 + Tl Tl334 1.0 0.23611 0.04167 0.30350 1.0000 + Tl Tl335 1.0 0.19444 0.08333 0.30350 1.0000 + Tl Tl336 1.0 0.15278 0.12500 0.30350 1.0000 + Tl Tl337 1.0 0.65278 0.70833 0.30350 1.0000 + Tl Tl338 1.0 0.61111 0.75000 0.30350 1.0000 + Tl Tl339 1.0 0.56944 0.79167 0.30350 1.0000 + Tl Tl340 1.0 0.52778 0.83333 0.30350 1.0000 + Tl Tl341 1.0 0.48611 0.87500 0.30350 1.0000 + Tl Tl342 1.0 0.44444 0.91667 0.30350 1.0000 + Tl Tl343 1.0 0.40278 0.95833 0.30350 1.0000 + Tl Tl344 1.0 0.36111 0.00000 0.30350 1.0000 + Tl Tl345 1.0 0.31944 0.04167 0.30350 1.0000 + Tl Tl346 1.0 0.27778 0.08333 0.30350 1.0000 + Tl Tl347 1.0 0.23611 0.12500 0.30350 1.0000 + Tl Tl348 1.0 0.19444 0.16667 0.30350 1.0000 + Tl Tl349 1.0 0.69444 0.75000 0.30350 1.0000 + Tl Tl350 1.0 0.65278 0.79167 0.30350 1.0000 + Tl Tl351 1.0 0.61111 0.83333 0.30350 1.0000 + Tl Tl352 1.0 0.56944 0.87500 0.30350 1.0000 + Tl Tl353 1.0 0.52778 0.91667 0.30350 1.0000 + Tl Tl354 1.0 0.48611 0.95833 0.30350 1.0000 + Tl Tl355 1.0 0.44444 0.00000 0.30350 1.0000 + Tl Tl356 1.0 0.40278 0.04167 0.30350 1.0000 + Tl Tl357 1.0 0.36111 0.08333 0.30350 1.0000 + Tl Tl358 1.0 0.31944 0.12500 0.30350 1.0000 + Tl Tl359 1.0 0.27778 0.16667 0.30350 1.0000 + Tl Tl360 1.0 0.23611 0.20833 0.30350 1.0000 + Tl Tl361 1.0 0.73611 0.79167 0.30350 1.0000 + Tl Tl362 1.0 0.69444 0.83333 0.30350 1.0000 + Tl Tl363 1.0 0.65278 0.87500 0.30350 1.0000 + Tl Tl364 1.0 0.61111 0.91667 0.30350 1.0000 + Tl Tl365 1.0 0.56944 0.95833 0.30350 1.0000 + Tl Tl366 1.0 0.52778 0.00000 0.30350 1.0000 + Tl Tl367 1.0 0.48611 0.04167 0.30350 1.0000 + Tl Tl368 1.0 0.44444 0.08333 0.30350 1.0000 + Tl Tl369 1.0 0.40278 0.12500 0.30350 1.0000 + Tl Tl370 1.0 0.36111 0.16667 0.30350 1.0000 + Tl Tl371 1.0 0.31944 0.20833 0.30350 1.0000 + Tl Tl372 1.0 0.27778 0.25000 0.30350 1.0000 + Tl Tl373 1.0 0.77778 0.83333 0.30350 1.0000 + Tl Tl374 1.0 0.73611 0.87500 0.30350 1.0000 + Tl Tl375 1.0 0.69444 0.91667 0.30350 1.0000 + Tl Tl376 1.0 0.65278 0.95833 0.30350 1.0000 + Tl Tl377 1.0 0.61111 0.00000 0.30350 1.0000 + Tl Tl378 1.0 0.56944 0.04167 0.30350 1.0000 + Tl Tl379 1.0 0.52778 0.08333 0.30350 1.0000 + Tl Tl380 1.0 0.48611 0.12500 0.30350 1.0000 + Tl Tl381 1.0 0.44444 0.16667 0.30350 1.0000 + Tl Tl382 1.0 0.40278 0.20833 0.30350 1.0000 + Tl Tl383 1.0 0.36111 0.25000 0.30350 1.0000 + Tl Tl384 1.0 0.31944 0.29167 0.30350 1.0000 + Tl Tl385 1.0 0.81944 0.87500 0.30350 1.0000 + Tl Tl386 1.0 0.77778 0.91667 0.30350 1.0000 + Tl Tl387 1.0 0.73611 0.95833 0.30350 1.0000 + Tl Tl388 1.0 0.69444 0.00000 0.30350 1.0000 + Tl Tl389 1.0 0.65278 0.04167 0.30350 1.0000 + Tl Tl390 1.0 0.61111 0.08333 0.30350 1.0000 + Tl Tl391 1.0 0.56944 0.12500 0.30350 1.0000 + Tl Tl392 1.0 0.52778 0.16667 0.30350 1.0000 + Tl Tl393 1.0 0.48611 0.20833 0.30350 1.0000 + Tl Tl394 1.0 0.44444 0.25000 0.30350 1.0000 + Tl Tl395 1.0 0.40278 0.29167 0.30350 1.0000 + Tl Tl396 1.0 0.36111 0.33333 0.30350 1.0000 + Tl Tl397 1.0 0.86111 0.91667 0.30350 1.0000 + Tl Tl398 1.0 0.81944 0.95833 0.30350 1.0000 + Tl Tl399 1.0 0.77778 0.00000 0.30350 1.0000 + Tl Tl400 1.0 0.73611 0.04167 0.30350 1.0000 + Tl Tl401 1.0 0.69444 0.08333 0.30350 1.0000 + Tl Tl402 1.0 0.65278 0.12500 0.30350 1.0000 + Tl Tl403 1.0 0.61111 0.16667 0.30350 1.0000 + Tl Tl404 1.0 0.56944 0.20833 0.30350 1.0000 + Tl Tl405 1.0 0.52778 0.25000 0.30350 1.0000 + Tl Tl406 1.0 0.48611 0.29167 0.30350 1.0000 + Tl Tl407 1.0 0.44444 0.33333 0.30350 1.0000 + Tl Tl408 1.0 0.40278 0.37500 0.30350 1.0000 + Tl Tl409 1.0 0.90278 0.95833 0.30350 1.0000 + Tl Tl410 1.0 0.86111 0.00000 0.30350 1.0000 + Tl Tl411 1.0 0.81944 0.04167 0.30350 1.0000 + Tl Tl412 1.0 0.77778 0.08333 0.30350 1.0000 + Tl Tl413 1.0 0.73611 0.12500 0.30350 1.0000 + Tl Tl414 1.0 0.69444 0.16667 0.30350 1.0000 + Tl Tl415 1.0 0.65278 0.20833 0.30350 1.0000 + Tl Tl416 1.0 0.61111 0.25000 0.30350 1.0000 + Tl Tl417 1.0 0.56944 0.29167 0.30350 1.0000 + Tl Tl418 1.0 0.52778 0.33333 0.30350 1.0000 + Tl Tl419 1.0 0.48611 0.37500 0.30350 1.0000 + Tl Tl420 1.0 0.44444 0.41667 0.30350 1.0000 + Tl Tl421 1.0 0.94444 0.00000 0.30350 1.0000 + Tl Tl422 1.0 0.90278 0.04167 0.30350 1.0000 + Tl Tl423 1.0 0.86111 0.08333 0.30350 1.0000 + Tl Tl424 1.0 0.81944 0.12500 0.30350 1.0000 + Tl Tl425 1.0 0.77778 0.16667 0.30350 1.0000 + Tl Tl426 1.0 0.73611 0.20833 0.30350 1.0000 + Tl Tl427 1.0 0.69444 0.25000 0.30350 1.0000 + Tl Tl428 1.0 0.65278 0.29167 0.30350 1.0000 + Tl Tl429 1.0 0.61111 0.33333 0.30350 1.0000 + Tl Tl430 1.0 0.56944 0.37500 0.30350 1.0000 + Tl Tl431 1.0 0.52778 0.41667 0.30350 1.0000 + Tl Tl432 1.0 0.48611 0.45833 0.30350 1.0000 + Tl Tl433 1.0 0.51389 0.54167 0.69650 1.0000 + Tl Tl434 1.0 0.47222 0.58333 0.69650 1.0000 + Tl Tl435 1.0 0.43056 0.62500 0.69650 1.0000 + Tl Tl436 1.0 0.38889 0.66667 0.69650 1.0000 + Tl Tl437 1.0 0.34722 0.70833 0.69650 1.0000 + Tl Tl438 1.0 0.30556 0.75000 0.69650 1.0000 + Tl Tl439 1.0 0.26389 0.79167 0.69650 1.0000 + Tl Tl440 1.0 0.22222 0.83333 0.69650 1.0000 + Tl Tl441 1.0 0.18056 0.87500 0.69650 1.0000 + Tl Tl442 1.0 0.13889 0.91667 0.69650 1.0000 + Tl Tl443 1.0 0.09722 0.95833 0.69650 1.0000 + Tl Tl444 1.0 0.05556 0.00000 0.69650 1.0000 + Tl Tl445 1.0 0.55556 0.58333 0.69650 1.0000 + Tl Tl446 1.0 0.51389 0.62500 0.69650 1.0000 + Tl Tl447 1.0 0.47222 0.66667 0.69650 1.0000 + Tl Tl448 1.0 0.43056 0.70833 0.69650 1.0000 + Tl Tl449 1.0 0.38889 0.75000 0.69650 1.0000 + Tl Tl450 1.0 0.34722 0.79167 0.69650 1.0000 + Tl Tl451 1.0 0.30556 0.83333 0.69650 1.0000 + Tl Tl452 1.0 0.26389 0.87500 0.69650 1.0000 + Tl Tl453 1.0 0.22222 0.91667 0.69650 1.0000 + Tl Tl454 1.0 0.18056 0.95833 0.69650 1.0000 + Tl Tl455 1.0 0.13889 0.00000 0.69650 1.0000 + Tl Tl456 1.0 0.09722 0.04167 0.69650 1.0000 + Tl Tl457 1.0 0.59722 0.62500 0.69650 1.0000 + Tl Tl458 1.0 0.55556 0.66667 0.69650 1.0000 + Tl Tl459 1.0 0.51389 0.70833 0.69650 1.0000 + Tl Tl460 1.0 0.47222 0.75000 0.69650 1.0000 + Tl Tl461 1.0 0.43056 0.79167 0.69650 1.0000 + Tl Tl462 1.0 0.38889 0.83333 0.69650 1.0000 + Tl Tl463 1.0 0.34722 0.87500 0.69650 1.0000 + Tl Tl464 1.0 0.30556 0.91667 0.69650 1.0000 + Tl Tl465 1.0 0.26389 0.95833 0.69650 1.0000 + Tl Tl466 1.0 0.22222 0.00000 0.69650 1.0000 + Tl Tl467 1.0 0.18056 0.04167 0.69650 1.0000 + Tl Tl468 1.0 0.13889 0.08333 0.69650 1.0000 + Tl Tl469 1.0 0.63889 0.66667 0.69650 1.0000 + Tl Tl470 1.0 0.59722 0.70833 0.69650 1.0000 + Tl Tl471 1.0 0.55556 0.75000 0.69650 1.0000 + Tl Tl472 1.0 0.51389 0.79167 0.69650 1.0000 + Tl Tl473 1.0 0.47222 0.83333 0.69650 1.0000 + Tl Tl474 1.0 0.43056 0.87500 0.69650 1.0000 + Tl Tl475 1.0 0.38889 0.91667 0.69650 1.0000 + Tl Tl476 1.0 0.34722 0.95833 0.69650 1.0000 + Tl Tl477 1.0 0.30556 0.00000 0.69650 1.0000 + Tl Tl478 1.0 0.26389 0.04167 0.69650 1.0000 + Tl Tl479 1.0 0.22222 0.08333 0.69650 1.0000 + Tl Tl480 1.0 0.18056 0.12500 0.69650 1.0000 + Tl Tl481 1.0 0.68056 0.70833 0.69650 1.0000 + Tl Tl482 1.0 0.63889 0.75000 0.69650 1.0000 + Tl Tl483 1.0 0.59722 0.79167 0.69650 1.0000 + Tl Tl484 1.0 0.55556 0.83333 0.69650 1.0000 + Tl Tl485 1.0 0.51389 0.87500 0.69650 1.0000 + Tl Tl486 1.0 0.47222 0.91667 0.69650 1.0000 + Tl Tl487 1.0 0.43056 0.95833 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b/tier2/cif_file/orthogonal_2dm-5509_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..4c5b25ac54874cfbc3a8e9d466df479a990deb10 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5509_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Ni256S512Ni256S512 +_chemical_formula_sum "Ni512 S1024" +_cell_length_a 92.3228 +_cell_length_b 53.3026 +_cell_length_c 6.36849 +_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 0.00000 0.00000 0.50000 1.0000 + Ni Ni2 1.0 0.53125 0.53125 0.50000 1.0000 + Ni Ni3 1.0 0.56250 0.56250 0.50000 1.0000 + Ni Ni4 1.0 0.59375 0.59375 0.50000 1.0000 + Ni Ni5 1.0 0.62500 0.62500 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S S994 1.0 0.98958 0.09375 0.31405 1.0000 + S S995 1.0 0.02083 0.12500 0.31405 1.0000 + S S996 1.0 0.05208 0.15625 0.31405 1.0000 + S S997 1.0 0.08333 0.18750 0.31405 1.0000 + S S998 1.0 0.11458 0.21875 0.31405 1.0000 + S S999 1.0 0.14583 0.25000 0.31405 1.0000 + S S1000 1.0 0.17708 0.28125 0.31405 1.0000 + S S1001 1.0 0.20833 0.31250 0.31405 1.0000 + S S1002 1.0 0.23958 0.34375 0.31405 1.0000 + S S1003 1.0 0.27083 0.37500 0.31405 1.0000 + S S1004 1.0 0.30208 0.40625 0.31405 1.0000 + S S1005 1.0 0.33333 0.43750 0.31405 1.0000 + S S1006 1.0 0.36458 0.46875 0.31405 1.0000 + S S1007 1.0 0.39583 0.50000 0.31405 1.0000 + S S1008 1.0 0.42708 0.53125 0.31405 1.0000 + S S1009 1.0 0.98958 0.03125 0.31405 1.0000 + S S1010 1.0 0.02083 0.06250 0.31405 1.0000 + S S1011 1.0 0.05208 0.09375 0.31405 1.0000 + S S1012 1.0 0.08333 0.12500 0.31405 1.0000 + S S1013 1.0 0.11458 0.15625 0.31405 1.0000 + S S1014 1.0 0.14583 0.18750 0.31405 1.0000 + S S1015 1.0 0.17708 0.21875 0.31405 1.0000 + S S1016 1.0 0.20833 0.25000 0.31405 1.0000 + S S1017 1.0 0.23958 0.28125 0.31405 1.0000 + S S1018 1.0 0.27083 0.31250 0.31405 1.0000 + S S1019 1.0 0.30208 0.34375 0.31405 1.0000 + S S1020 1.0 0.33333 0.37500 0.31405 1.0000 + S S1021 1.0 0.36458 0.40625 0.31405 1.0000 + S S1022 1.0 0.39583 0.43750 0.31405 1.0000 + S S1023 1.0 0.42708 0.46875 0.31405 1.0000 + S S1024 1.0 0.45833 0.50000 0.31405 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5515_supercell_12x12x1.cif b/tier2/cif_file/orthogonal_2dm-5515_supercell_12x12x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..6f31f2078dacc223766b32ea90424a0fc5cf72cd --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5515_supercell_12x12x1.cif @@ -0,0 +1,1897 @@ +data_image0 +_chemical_formula_structural Zn288Ni432O1152 +_chemical_formula_sum "Zn288 Ni432 O1152" +_cell_length_a 58.8744 +_cell_length_b 68.9588 +_cell_length_c 6.79806 +_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 0.03975 0.00000 0.70580 1.0000 + Zn Zn2 1.0 0.03975 0.08333 0.70580 1.0000 + Zn Zn3 1.0 0.03975 0.16667 0.70580 1.0000 + Zn Zn4 1.0 0.03975 0.25000 0.70580 1.0000 + Zn Zn5 1.0 0.03975 0.33333 0.70580 1.0000 + Zn Zn6 1.0 0.03975 0.41667 0.70580 1.0000 + Zn Zn7 1.0 0.03975 0.50000 0.70580 1.0000 + Zn Zn8 1.0 0.03975 0.58333 0.70580 1.0000 + Zn Zn9 1.0 0.03975 0.66667 0.70580 1.0000 + Zn Zn10 1.0 0.03975 0.75000 0.70580 1.0000 + Zn Zn11 1.0 0.03975 0.83333 0.70580 1.0000 + Zn Zn12 1.0 0.03975 0.91667 0.70580 1.0000 + Zn Zn13 1.0 0.12309 0.00000 0.70580 1.0000 + Zn Zn14 1.0 0.12309 0.08333 0.70580 1.0000 + Zn Zn15 1.0 0.12309 0.16667 0.70580 1.0000 + Zn Zn16 1.0 0.12309 0.25000 0.70580 1.0000 + Zn Zn17 1.0 0.12309 0.33333 0.70580 1.0000 + Zn Zn18 1.0 0.12309 0.41667 0.70580 1.0000 + Zn Zn19 1.0 0.12309 0.50000 0.70580 1.0000 + Zn Zn20 1.0 0.12309 0.58333 0.70580 1.0000 + Zn Zn21 1.0 0.12309 0.66667 0.70580 1.0000 + Zn Zn22 1.0 0.12309 0.75000 0.70580 1.0000 + Zn Zn23 1.0 0.12309 0.83333 0.70580 1.0000 + Zn Zn24 1.0 0.12309 0.91667 0.70580 1.0000 + Zn Zn25 1.0 0.20642 0.00000 0.70580 1.0000 + Zn Zn26 1.0 0.20642 0.08333 0.70580 1.0000 + Zn Zn27 1.0 0.20642 0.16667 0.70580 1.0000 + Zn Zn28 1.0 0.20642 0.25000 0.70580 1.0000 + Zn Zn29 1.0 0.20642 0.33333 0.70580 1.0000 + Zn Zn30 1.0 0.20642 0.41667 0.70580 1.0000 + Zn Zn31 1.0 0.20642 0.50000 0.70580 1.0000 + Zn Zn32 1.0 0.20642 0.58333 0.70580 1.0000 + Zn Zn33 1.0 0.20642 0.66667 0.70580 1.0000 + Zn Zn34 1.0 0.20642 0.75000 0.70580 1.0000 + Zn Zn35 1.0 0.20642 0.83333 0.70580 1.0000 + Zn Zn36 1.0 0.20642 0.91667 0.70580 1.0000 + Zn Zn37 1.0 0.28975 0.00000 0.70580 1.0000 + Zn Zn38 1.0 0.28975 0.08333 0.70580 1.0000 + Zn Zn39 1.0 0.28975 0.16667 0.70580 1.0000 + Zn Zn40 1.0 0.28975 0.25000 0.70580 1.0000 + Zn Zn41 1.0 0.28975 0.33333 0.70580 1.0000 + Zn Zn42 1.0 0.28975 0.41667 0.70580 1.0000 + Zn Zn43 1.0 0.28975 0.50000 0.70580 1.0000 + Zn Zn44 1.0 0.28975 0.58333 0.70580 1.0000 + Zn Zn45 1.0 0.28975 0.66667 0.70580 1.0000 + Zn Zn46 1.0 0.28975 0.75000 0.70580 1.0000 + Zn Zn47 1.0 0.28975 0.83333 0.70580 1.0000 + Zn Zn48 1.0 0.28975 0.91667 0.70580 1.0000 + Zn Zn49 1.0 0.37309 0.00000 0.70580 1.0000 + Zn Zn50 1.0 0.37309 0.08333 0.70580 1.0000 + Zn Zn51 1.0 0.37309 0.16667 0.70580 1.0000 + Zn Zn52 1.0 0.37309 0.25000 0.70580 1.0000 + Zn Zn53 1.0 0.37309 0.33333 0.70580 1.0000 + Zn Zn54 1.0 0.37309 0.41667 0.70580 1.0000 + Zn Zn55 1.0 0.37309 0.50000 0.70580 1.0000 + Zn Zn56 1.0 0.37309 0.58333 0.70580 1.0000 + Zn Zn57 1.0 0.37309 0.66667 0.70580 1.0000 + Zn Zn58 1.0 0.37309 0.75000 0.70580 1.0000 + Zn Zn59 1.0 0.37309 0.83333 0.70580 1.0000 + Zn Zn60 1.0 0.37309 0.91667 0.70580 1.0000 + Zn Zn61 1.0 0.45642 0.00000 0.70580 1.0000 + Zn Zn62 1.0 0.45642 0.08333 0.70580 1.0000 + Zn Zn63 1.0 0.45642 0.16667 0.70580 1.0000 + Zn Zn64 1.0 0.45642 0.25000 0.70580 1.0000 + Zn Zn65 1.0 0.45642 0.33333 0.70580 1.0000 + Zn Zn66 1.0 0.45642 0.41667 0.70580 1.0000 + Zn Zn67 1.0 0.45642 0.50000 0.70580 1.0000 + Zn Zn68 1.0 0.45642 0.58333 0.70580 1.0000 + Zn Zn69 1.0 0.45642 0.66667 0.70580 1.0000 + Zn Zn70 1.0 0.45642 0.75000 0.70580 1.0000 + Zn Zn71 1.0 0.45642 0.83333 0.70580 1.0000 + Zn Zn72 1.0 0.45642 0.91667 0.70580 1.0000 + Zn Zn73 1.0 0.53975 0.00000 0.70580 1.0000 + Zn Zn74 1.0 0.53975 0.08333 0.70580 1.0000 + Zn Zn75 1.0 0.53975 0.16667 0.70580 1.0000 + Zn Zn76 1.0 0.53975 0.25000 0.70580 1.0000 + Zn Zn77 1.0 0.53975 0.33333 0.70580 1.0000 + Zn Zn78 1.0 0.53975 0.41667 0.70580 1.0000 + Zn Zn79 1.0 0.53975 0.50000 0.70580 1.0000 + Zn Zn80 1.0 0.53975 0.58333 0.70580 1.0000 + Zn Zn81 1.0 0.53975 0.66667 0.70580 1.0000 + Zn Zn82 1.0 0.53975 0.75000 0.70580 1.0000 + Zn Zn83 1.0 0.53975 0.83333 0.70580 1.0000 + Zn Zn84 1.0 0.53975 0.91667 0.70580 1.0000 + Zn Zn85 1.0 0.62309 0.00000 0.70580 1.0000 + Zn Zn86 1.0 0.62309 0.08333 0.70580 1.0000 + Zn Zn87 1.0 0.62309 0.16667 0.70580 1.0000 + Zn Zn88 1.0 0.62309 0.25000 0.70580 1.0000 + Zn Zn89 1.0 0.62309 0.33333 0.70580 1.0000 + Zn Zn90 1.0 0.62309 0.41667 0.70580 1.0000 + Zn Zn91 1.0 0.62309 0.50000 0.70580 1.0000 + Zn Zn92 1.0 0.62309 0.58333 0.70580 1.0000 + Zn Zn93 1.0 0.62309 0.66667 0.70580 1.0000 + Zn Zn94 1.0 0.62309 0.75000 0.70580 1.0000 + Zn Zn95 1.0 0.62309 0.83333 0.70580 1.0000 + Zn Zn96 1.0 0.62309 0.91667 0.70580 1.0000 + Zn Zn97 1.0 0.70642 0.00000 0.70580 1.0000 + Zn Zn98 1.0 0.70642 0.08333 0.70580 1.0000 + Zn Zn99 1.0 0.70642 0.16667 0.70580 1.0000 + Zn Zn100 1.0 0.70642 0.25000 0.70580 1.0000 + Zn Zn101 1.0 0.70642 0.33333 0.70580 1.0000 + Zn Zn102 1.0 0.70642 0.41667 0.70580 1.0000 + Zn Zn103 1.0 0.70642 0.50000 0.70580 1.0000 + Zn Zn104 1.0 0.70642 0.58333 0.70580 1.0000 + Zn Zn105 1.0 0.70642 0.66667 0.70580 1.0000 + Zn Zn106 1.0 0.70642 0.75000 0.70580 1.0000 + Zn Zn107 1.0 0.70642 0.83333 0.70580 1.0000 + Zn Zn108 1.0 0.70642 0.91667 0.70580 1.0000 + Zn Zn109 1.0 0.78975 0.00000 0.70580 1.0000 + Zn Zn110 1.0 0.78975 0.08333 0.70580 1.0000 + Zn Zn111 1.0 0.78975 0.16667 0.70580 1.0000 + Zn Zn112 1.0 0.78975 0.25000 0.70580 1.0000 + Zn Zn113 1.0 0.78975 0.33333 0.70580 1.0000 + Zn Zn114 1.0 0.78975 0.41667 0.70580 1.0000 + Zn Zn115 1.0 0.78975 0.50000 0.70580 1.0000 + Zn Zn116 1.0 0.78975 0.58333 0.70580 1.0000 + Zn Zn117 1.0 0.78975 0.66667 0.70580 1.0000 + Zn Zn118 1.0 0.78975 0.75000 0.70580 1.0000 + Zn Zn119 1.0 0.78975 0.83333 0.70580 1.0000 + Zn Zn120 1.0 0.78975 0.91667 0.70580 1.0000 + Zn Zn121 1.0 0.87309 0.00000 0.70580 1.0000 + Zn Zn122 1.0 0.87309 0.08333 0.70580 1.0000 + Zn Zn123 1.0 0.87309 0.16667 0.70580 1.0000 + Zn Zn124 1.0 0.87309 0.25000 0.70580 1.0000 + Zn Zn125 1.0 0.87309 0.33333 0.70580 1.0000 + Zn Zn126 1.0 0.87309 0.41667 0.70580 1.0000 + Zn Zn127 1.0 0.87309 0.50000 0.70580 1.0000 + Zn Zn128 1.0 0.87309 0.58333 0.70580 1.0000 + Zn Zn129 1.0 0.87309 0.66667 0.70580 1.0000 + Zn Zn130 1.0 0.87309 0.75000 0.70580 1.0000 + Zn Zn131 1.0 0.87309 0.83333 0.70580 1.0000 + Zn Zn132 1.0 0.87309 0.91667 0.70580 1.0000 + Zn Zn133 1.0 0.95642 0.00000 0.70580 1.0000 + Zn Zn134 1.0 0.95642 0.08333 0.70580 1.0000 + Zn Zn135 1.0 0.95642 0.16667 0.70580 1.0000 + Zn Zn136 1.0 0.95642 0.25000 0.70580 1.0000 + Zn Zn137 1.0 0.95642 0.33333 0.70580 1.0000 + Zn Zn138 1.0 0.95642 0.41667 0.70580 1.0000 + Zn Zn139 1.0 0.95642 0.50000 0.70580 1.0000 + Zn Zn140 1.0 0.95642 0.58333 0.70580 1.0000 + Zn Zn141 1.0 0.95642 0.66667 0.70580 1.0000 + Zn Zn142 1.0 0.95642 0.75000 0.70580 1.0000 + Zn Zn143 1.0 0.95642 0.83333 0.70580 1.0000 + Zn Zn144 1.0 0.95642 0.91667 0.70580 1.0000 + Zn Zn145 1.0 0.04001 0.00000 0.29420 1.0000 + Zn Zn146 1.0 0.04001 0.08333 0.29420 1.0000 + Zn Zn147 1.0 0.04001 0.16667 0.29420 1.0000 + Zn Zn148 1.0 0.04001 0.25000 0.29420 1.0000 + Zn Zn149 1.0 0.04001 0.33333 0.29420 1.0000 + Zn Zn150 1.0 0.04001 0.41667 0.29420 1.0000 + Zn Zn151 1.0 0.04001 0.50000 0.29420 1.0000 + Zn Zn152 1.0 0.04001 0.58333 0.29420 1.0000 + Zn Zn153 1.0 0.04001 0.66667 0.29420 1.0000 + Zn Zn154 1.0 0.04001 0.75000 0.29420 1.0000 + Zn Zn155 1.0 0.04001 0.83333 0.29420 1.0000 + Zn Zn156 1.0 0.04001 0.91667 0.29420 1.0000 + Zn Zn157 1.0 0.12334 0.00000 0.29420 1.0000 + Zn Zn158 1.0 0.12334 0.08333 0.29420 1.0000 + Zn Zn159 1.0 0.12334 0.16667 0.29420 1.0000 + Zn Zn160 1.0 0.12334 0.25000 0.29420 1.0000 + Zn Zn161 1.0 0.12334 0.33333 0.29420 1.0000 + Zn Zn162 1.0 0.12334 0.41667 0.29420 1.0000 + Zn Zn163 1.0 0.12334 0.50000 0.29420 1.0000 + Zn Zn164 1.0 0.12334 0.58333 0.29420 1.0000 + Zn Zn165 1.0 0.12334 0.66667 0.29420 1.0000 + Zn Zn166 1.0 0.12334 0.75000 0.29420 1.0000 + Zn Zn167 1.0 0.12334 0.83333 0.29420 1.0000 + Zn Zn168 1.0 0.12334 0.91667 0.29420 1.0000 + Zn Zn169 1.0 0.20668 0.00000 0.29420 1.0000 + Zn Zn170 1.0 0.20668 0.08333 0.29420 1.0000 + Zn Zn171 1.0 0.20668 0.16667 0.29420 1.0000 + Zn Zn172 1.0 0.20668 0.25000 0.29420 1.0000 + Zn Zn173 1.0 0.20668 0.33333 0.29420 1.0000 + Zn Zn174 1.0 0.20668 0.41667 0.29420 1.0000 + Zn Zn175 1.0 0.20668 0.50000 0.29420 1.0000 + Zn Zn176 1.0 0.20668 0.58333 0.29420 1.0000 + Zn Zn177 1.0 0.20668 0.66667 0.29420 1.0000 + Zn Zn178 1.0 0.20668 0.75000 0.29420 1.0000 + Zn Zn179 1.0 0.20668 0.83333 0.29420 1.0000 + Zn Zn180 1.0 0.20668 0.91667 0.29420 1.0000 + Zn Zn181 1.0 0.29001 0.00000 0.29420 1.0000 + Zn Zn182 1.0 0.29001 0.08333 0.29420 1.0000 + Zn Zn183 1.0 0.29001 0.16667 0.29420 1.0000 + Zn Zn184 1.0 0.29001 0.25000 0.29420 1.0000 + Zn Zn185 1.0 0.29001 0.33333 0.29420 1.0000 + Zn Zn186 1.0 0.29001 0.41667 0.29420 1.0000 + Zn Zn187 1.0 0.29001 0.50000 0.29420 1.0000 + Zn Zn188 1.0 0.29001 0.58333 0.29420 1.0000 + Zn Zn189 1.0 0.29001 0.66667 0.29420 1.0000 + Zn Zn190 1.0 0.29001 0.75000 0.29420 1.0000 + Zn Zn191 1.0 0.29001 0.83333 0.29420 1.0000 + Zn Zn192 1.0 0.29001 0.91667 0.29420 1.0000 + Zn Zn193 1.0 0.37334 0.00000 0.29420 1.0000 + Zn Zn194 1.0 0.37334 0.08333 0.29420 1.0000 + Zn Zn195 1.0 0.37334 0.16667 0.29420 1.0000 + Zn Zn196 1.0 0.37334 0.25000 0.29420 1.0000 + Zn Zn197 1.0 0.37334 0.33333 0.29420 1.0000 + Zn Zn198 1.0 0.37334 0.41667 0.29420 1.0000 + Zn Zn199 1.0 0.37334 0.50000 0.29420 1.0000 + Zn Zn200 1.0 0.37334 0.58333 0.29420 1.0000 + Zn Zn201 1.0 0.37334 0.66667 0.29420 1.0000 + Zn Zn202 1.0 0.37334 0.75000 0.29420 1.0000 + Zn Zn203 1.0 0.37334 0.83333 0.29420 1.0000 + Zn Zn204 1.0 0.37334 0.91667 0.29420 1.0000 + Zn Zn205 1.0 0.45668 0.00000 0.29420 1.0000 + Zn Zn206 1.0 0.45668 0.08333 0.29420 1.0000 + Zn Zn207 1.0 0.45668 0.16667 0.29420 1.0000 + Zn Zn208 1.0 0.45668 0.25000 0.29420 1.0000 + Zn Zn209 1.0 0.45668 0.33333 0.29420 1.0000 + Zn Zn210 1.0 0.45668 0.41667 0.29420 1.0000 + Zn Zn211 1.0 0.45668 0.50000 0.29420 1.0000 + Zn Zn212 1.0 0.45668 0.58333 0.29420 1.0000 + Zn Zn213 1.0 0.45668 0.66667 0.29420 1.0000 + Zn Zn214 1.0 0.45668 0.75000 0.29420 1.0000 + Zn Zn215 1.0 0.45668 0.83333 0.29420 1.0000 + Zn Zn216 1.0 0.45668 0.91667 0.29420 1.0000 + Zn Zn217 1.0 0.54001 0.00000 0.29420 1.0000 + Zn Zn218 1.0 0.54001 0.08333 0.29420 1.0000 + Zn Zn219 1.0 0.54001 0.16667 0.29420 1.0000 + Zn Zn220 1.0 0.54001 0.25000 0.29420 1.0000 + Zn Zn221 1.0 0.54001 0.33333 0.29420 1.0000 + Zn Zn222 1.0 0.54001 0.41667 0.29420 1.0000 + Zn Zn223 1.0 0.54001 0.50000 0.29420 1.0000 + Zn Zn224 1.0 0.54001 0.58333 0.29420 1.0000 + Zn Zn225 1.0 0.54001 0.66667 0.29420 1.0000 + Zn Zn226 1.0 0.54001 0.75000 0.29420 1.0000 + Zn Zn227 1.0 0.54001 0.83333 0.29420 1.0000 + Zn Zn228 1.0 0.54001 0.91667 0.29420 1.0000 + Zn Zn229 1.0 0.62334 0.00000 0.29420 1.0000 + Zn Zn230 1.0 0.62334 0.08333 0.29420 1.0000 + Zn Zn231 1.0 0.62334 0.16667 0.29420 1.0000 + Zn Zn232 1.0 0.62334 0.25000 0.29420 1.0000 + Zn Zn233 1.0 0.62334 0.33333 0.29420 1.0000 + Zn Zn234 1.0 0.62334 0.41667 0.29420 1.0000 + Zn Zn235 1.0 0.62334 0.50000 0.29420 1.0000 + Zn Zn236 1.0 0.62334 0.58333 0.29420 1.0000 + Zn Zn237 1.0 0.62334 0.66667 0.29420 1.0000 + Zn Zn238 1.0 0.62334 0.75000 0.29420 1.0000 + Zn Zn239 1.0 0.62334 0.83333 0.29420 1.0000 + Zn Zn240 1.0 0.62334 0.91667 0.29420 1.0000 + Zn Zn241 1.0 0.70668 0.00000 0.29420 1.0000 + Zn Zn242 1.0 0.70668 0.08333 0.29420 1.0000 + Zn Zn243 1.0 0.70668 0.16667 0.29420 1.0000 + Zn Zn244 1.0 0.70668 0.25000 0.29420 1.0000 + Zn Zn245 1.0 0.70668 0.33333 0.29420 1.0000 + Zn Zn246 1.0 0.70668 0.41667 0.29420 1.0000 + Zn Zn247 1.0 0.70668 0.50000 0.29420 1.0000 + Zn Zn248 1.0 0.70668 0.58333 0.29420 1.0000 + Zn Zn249 1.0 0.70668 0.66667 0.29420 1.0000 + Zn Zn250 1.0 0.70668 0.75000 0.29420 1.0000 + Zn Zn251 1.0 0.70668 0.83333 0.29420 1.0000 + Zn Zn252 1.0 0.70668 0.91667 0.29420 1.0000 + Zn Zn253 1.0 0.79001 0.00000 0.29420 1.0000 + Zn Zn254 1.0 0.79001 0.08333 0.29420 1.0000 + Zn Zn255 1.0 0.79001 0.16667 0.29420 1.0000 + Zn Zn256 1.0 0.79001 0.25000 0.29420 1.0000 + Zn Zn257 1.0 0.79001 0.33333 0.29420 1.0000 + Zn Zn258 1.0 0.79001 0.41667 0.29420 1.0000 + Zn Zn259 1.0 0.79001 0.50000 0.29420 1.0000 + Zn Zn260 1.0 0.79001 0.58333 0.29420 1.0000 + Zn Zn261 1.0 0.79001 0.66667 0.29420 1.0000 + Zn Zn262 1.0 0.79001 0.75000 0.29420 1.0000 + Zn Zn263 1.0 0.79001 0.83333 0.29420 1.0000 + Zn Zn264 1.0 0.79001 0.91667 0.29420 1.0000 + Zn Zn265 1.0 0.87334 0.00000 0.29420 1.0000 + Zn Zn266 1.0 0.87334 0.08333 0.29420 1.0000 + Zn Zn267 1.0 0.87334 0.16667 0.29420 1.0000 + Zn Zn268 1.0 0.87334 0.25000 0.29420 1.0000 + Zn Zn269 1.0 0.87334 0.33333 0.29420 1.0000 + Zn Zn270 1.0 0.87334 0.41667 0.29420 1.0000 + Zn Zn271 1.0 0.87334 0.50000 0.29420 1.0000 + Zn Zn272 1.0 0.87334 0.58333 0.29420 1.0000 + Zn Zn273 1.0 0.87334 0.66667 0.29420 1.0000 + Zn Zn274 1.0 0.87334 0.75000 0.29420 1.0000 + Zn Zn275 1.0 0.87334 0.83333 0.29420 1.0000 + Zn Zn276 1.0 0.87334 0.91667 0.29420 1.0000 + Zn Zn277 1.0 0.95668 0.00000 0.29420 1.0000 + Zn Zn278 1.0 0.95668 0.08333 0.29420 1.0000 + Zn Zn279 1.0 0.95668 0.16667 0.29420 1.0000 + Zn Zn280 1.0 0.95668 0.25000 0.29420 1.0000 + Zn Zn281 1.0 0.95668 0.33333 0.29420 1.0000 + Zn Zn282 1.0 0.95668 0.41667 0.29420 1.0000 + Zn Zn283 1.0 0.95668 0.50000 0.29420 1.0000 + Zn Zn284 1.0 0.95668 0.58333 0.29420 1.0000 + Zn Zn285 1.0 0.95668 0.66667 0.29420 1.0000 + Zn Zn286 1.0 0.95668 0.75000 0.29420 1.0000 + Zn Zn287 1.0 0.95668 0.83333 0.29420 1.0000 + Zn Zn288 1.0 0.95668 0.91667 0.29420 1.0000 + Ni Ni1 1.0 0.03988 0.04167 0.50000 1.0000 + Ni Ni2 1.0 0.03988 0.12500 0.50000 1.0000 + Ni Ni3 1.0 0.03988 0.20833 0.50000 1.0000 + Ni Ni4 1.0 0.03988 0.29167 0.50000 1.0000 + Ni Ni5 1.0 0.03988 0.37500 0.50000 1.0000 + Ni Ni6 1.0 0.03988 0.45833 0.50000 1.0000 + Ni Ni7 1.0 0.03988 0.54167 0.50000 1.0000 + Ni Ni8 1.0 0.03988 0.62500 0.50000 1.0000 + Ni Ni9 1.0 0.03988 0.70833 0.50000 1.0000 + Ni Ni10 1.0 0.03988 0.79167 0.50000 1.0000 + Ni Ni11 1.0 0.03988 0.87500 0.50000 1.0000 + Ni Ni12 1.0 0.03988 0.95833 0.50000 1.0000 + Ni Ni13 1.0 0.12321 0.04167 0.50000 1.0000 + Ni Ni14 1.0 0.12321 0.12500 0.50000 1.0000 + Ni Ni15 1.0 0.12321 0.20833 0.50000 1.0000 + Ni Ni16 1.0 0.12321 0.29167 0.50000 1.0000 + Ni Ni17 1.0 0.12321 0.37500 0.50000 1.0000 + Ni Ni18 1.0 0.12321 0.45833 0.50000 1.0000 + Ni Ni19 1.0 0.12321 0.54167 0.50000 1.0000 + Ni Ni20 1.0 0.12321 0.62500 0.50000 1.0000 + Ni Ni21 1.0 0.12321 0.70833 0.50000 1.0000 + Ni Ni22 1.0 0.12321 0.79167 0.50000 1.0000 + Ni Ni23 1.0 0.12321 0.87500 0.50000 1.0000 + Ni Ni24 1.0 0.12321 0.95833 0.50000 1.0000 + Ni Ni25 1.0 0.20655 0.04167 0.50000 1.0000 + Ni Ni26 1.0 0.20655 0.12500 0.50000 1.0000 + Ni Ni27 1.0 0.20655 0.20833 0.50000 1.0000 + Ni Ni28 1.0 0.20655 0.29167 0.50000 1.0000 + Ni Ni29 1.0 0.20655 0.37500 0.50000 1.0000 + Ni Ni30 1.0 0.20655 0.45833 0.50000 1.0000 + Ni Ni31 1.0 0.20655 0.54167 0.50000 1.0000 + Ni Ni32 1.0 0.20655 0.62500 0.50000 1.0000 + Ni Ni33 1.0 0.20655 0.70833 0.50000 1.0000 + Ni Ni34 1.0 0.20655 0.79167 0.50000 1.0000 + Ni Ni35 1.0 0.20655 0.87500 0.50000 1.0000 + Ni Ni36 1.0 0.20655 0.95833 0.50000 1.0000 + Ni Ni37 1.0 0.28988 0.04167 0.50000 1.0000 + Ni Ni38 1.0 0.28988 0.12500 0.50000 1.0000 + Ni Ni39 1.0 0.28988 0.20833 0.50000 1.0000 + Ni Ni40 1.0 0.28988 0.29167 0.50000 1.0000 + Ni Ni41 1.0 0.28988 0.37500 0.50000 1.0000 + Ni Ni42 1.0 0.28988 0.45833 0.50000 1.0000 + Ni Ni43 1.0 0.28988 0.54167 0.50000 1.0000 + Ni Ni44 1.0 0.28988 0.62500 0.50000 1.0000 + Ni Ni45 1.0 0.28988 0.70833 0.50000 1.0000 + Ni Ni46 1.0 0.28988 0.79167 0.50000 1.0000 + Ni Ni47 1.0 0.28988 0.87500 0.50000 1.0000 + Ni Ni48 1.0 0.28988 0.95833 0.50000 1.0000 + Ni Ni49 1.0 0.37321 0.04167 0.50000 1.0000 + Ni Ni50 1.0 0.37321 0.12500 0.50000 1.0000 + Ni Ni51 1.0 0.37321 0.20833 0.50000 1.0000 + Ni Ni52 1.0 0.37321 0.29167 0.50000 1.0000 + Ni Ni53 1.0 0.37321 0.37500 0.50000 1.0000 + Ni Ni54 1.0 0.37321 0.45833 0.50000 1.0000 + Ni Ni55 1.0 0.37321 0.54167 0.50000 1.0000 + Ni Ni56 1.0 0.37321 0.62500 0.50000 1.0000 + Ni Ni57 1.0 0.37321 0.70833 0.50000 1.0000 + Ni Ni58 1.0 0.37321 0.79167 0.50000 1.0000 + Ni Ni59 1.0 0.37321 0.87500 0.50000 1.0000 + Ni Ni60 1.0 0.37321 0.95833 0.50000 1.0000 + Ni Ni61 1.0 0.45655 0.04167 0.50000 1.0000 + Ni Ni62 1.0 0.45655 0.12500 0.50000 1.0000 + Ni Ni63 1.0 0.45655 0.20833 0.50000 1.0000 + Ni Ni64 1.0 0.45655 0.29167 0.50000 1.0000 + Ni Ni65 1.0 0.45655 0.37500 0.50000 1.0000 + Ni Ni66 1.0 0.45655 0.45833 0.50000 1.0000 + Ni Ni67 1.0 0.45655 0.54167 0.50000 1.0000 + Ni Ni68 1.0 0.45655 0.62500 0.50000 1.0000 + Ni Ni69 1.0 0.45655 0.70833 0.50000 1.0000 + Ni Ni70 1.0 0.45655 0.79167 0.50000 1.0000 + Ni Ni71 1.0 0.45655 0.87500 0.50000 1.0000 + Ni Ni72 1.0 0.45655 0.95833 0.50000 1.0000 + Ni Ni73 1.0 0.53988 0.04167 0.50000 1.0000 + Ni Ni74 1.0 0.53988 0.12500 0.50000 1.0000 + Ni Ni75 1.0 0.53988 0.20833 0.50000 1.0000 + Ni Ni76 1.0 0.53988 0.29167 0.50000 1.0000 + Ni Ni77 1.0 0.53988 0.37500 0.50000 1.0000 + Ni Ni78 1.0 0.53988 0.45833 0.50000 1.0000 + Ni Ni79 1.0 0.53988 0.54167 0.50000 1.0000 + Ni Ni80 1.0 0.53988 0.62500 0.50000 1.0000 + Ni Ni81 1.0 0.53988 0.70833 0.50000 1.0000 + Ni Ni82 1.0 0.53988 0.79167 0.50000 1.0000 + Ni Ni83 1.0 0.53988 0.87500 0.50000 1.0000 + Ni Ni84 1.0 0.53988 0.95833 0.50000 1.0000 + Ni Ni85 1.0 0.62321 0.04167 0.50000 1.0000 + Ni Ni86 1.0 0.62321 0.12500 0.50000 1.0000 + Ni Ni87 1.0 0.62321 0.20833 0.50000 1.0000 + Ni Ni88 1.0 0.62321 0.29167 0.50000 1.0000 + Ni Ni89 1.0 0.62321 0.37500 0.50000 1.0000 + Ni Ni90 1.0 0.62321 0.45833 0.50000 1.0000 + Ni Ni91 1.0 0.62321 0.54167 0.50000 1.0000 + Ni Ni92 1.0 0.62321 0.62500 0.50000 1.0000 + Ni Ni93 1.0 0.62321 0.70833 0.50000 1.0000 + Ni Ni94 1.0 0.62321 0.79167 0.50000 1.0000 + Ni Ni95 1.0 0.62321 0.87500 0.50000 1.0000 + Ni Ni96 1.0 0.62321 0.95833 0.50000 1.0000 + Ni Ni97 1.0 0.70655 0.04167 0.50000 1.0000 + Ni Ni98 1.0 0.70655 0.12500 0.50000 1.0000 + Ni Ni99 1.0 0.70655 0.20833 0.50000 1.0000 + Ni Ni100 1.0 0.70655 0.29167 0.50000 1.0000 + Ni Ni101 1.0 0.70655 0.37500 0.50000 1.0000 + Ni Ni102 1.0 0.70655 0.45833 0.50000 1.0000 + Ni Ni103 1.0 0.70655 0.54167 0.50000 1.0000 + Ni Ni104 1.0 0.70655 0.62500 0.50000 1.0000 + Ni Ni105 1.0 0.70655 0.70833 0.50000 1.0000 + Ni Ni106 1.0 0.70655 0.79167 0.50000 1.0000 + Ni Ni107 1.0 0.70655 0.87500 0.50000 1.0000 + Ni Ni108 1.0 0.70655 0.95833 0.50000 1.0000 + Ni Ni109 1.0 0.78988 0.04167 0.50000 1.0000 + Ni Ni110 1.0 0.78988 0.12500 0.50000 1.0000 + Ni Ni111 1.0 0.78988 0.20833 0.50000 1.0000 + Ni Ni112 1.0 0.78988 0.29167 0.50000 1.0000 + Ni Ni113 1.0 0.78988 0.37500 0.50000 1.0000 + Ni Ni114 1.0 0.78988 0.45833 0.50000 1.0000 + Ni Ni115 1.0 0.78988 0.54167 0.50000 1.0000 + Ni Ni116 1.0 0.78988 0.62500 0.50000 1.0000 + Ni Ni117 1.0 0.78988 0.70833 0.50000 1.0000 + Ni Ni118 1.0 0.78988 0.79167 0.50000 1.0000 + Ni Ni119 1.0 0.78988 0.87500 0.50000 1.0000 + Ni Ni120 1.0 0.78988 0.95833 0.50000 1.0000 + Ni Ni121 1.0 0.87321 0.04167 0.50000 1.0000 + Ni Ni122 1.0 0.87321 0.12500 0.50000 1.0000 + Ni Ni123 1.0 0.87321 0.20833 0.50000 1.0000 + Ni Ni124 1.0 0.87321 0.29167 0.50000 1.0000 + Ni Ni125 1.0 0.87321 0.37500 0.50000 1.0000 + Ni Ni126 1.0 0.87321 0.45833 0.50000 1.0000 + Ni Ni127 1.0 0.87321 0.54167 0.50000 1.0000 + Ni Ni128 1.0 0.87321 0.62500 0.50000 1.0000 + Ni Ni129 1.0 0.87321 0.70833 0.50000 1.0000 + Ni Ni130 1.0 0.87321 0.79167 0.50000 1.0000 + Ni Ni131 1.0 0.87321 0.87500 0.50000 1.0000 + Ni Ni132 1.0 0.87321 0.95833 0.50000 1.0000 + Ni Ni133 1.0 0.95655 0.04167 0.50000 1.0000 + Ni Ni134 1.0 0.95655 0.12500 0.50000 1.0000 + Ni Ni135 1.0 0.95655 0.20833 0.50000 1.0000 + Ni Ni136 1.0 0.95655 0.29167 0.50000 1.0000 + Ni Ni137 1.0 0.95655 0.37500 0.50000 1.0000 + Ni Ni138 1.0 0.95655 0.45833 0.50000 1.0000 + Ni Ni139 1.0 0.95655 0.54167 0.50000 1.0000 + Ni Ni140 1.0 0.95655 0.62500 0.50000 1.0000 + Ni Ni141 1.0 0.95655 0.70833 0.50000 1.0000 + Ni Ni142 1.0 0.95655 0.79167 0.50000 1.0000 + Ni Ni143 1.0 0.95655 0.87500 0.50000 1.0000 + Ni Ni144 1.0 0.95655 0.95833 0.50000 1.0000 + Ni Ni145 1.0 0.08155 0.02107 0.50000 1.0000 + Ni Ni146 1.0 0.08155 0.10440 0.50000 1.0000 + Ni Ni147 1.0 0.08155 0.18774 0.50000 1.0000 + Ni Ni148 1.0 0.08155 0.27107 0.50000 1.0000 + Ni Ni149 1.0 0.08155 0.35440 0.50000 1.0000 + Ni Ni150 1.0 0.08155 0.43774 0.50000 1.0000 + Ni Ni151 1.0 0.08155 0.52107 0.50000 1.0000 + Ni Ni152 1.0 0.08155 0.60440 0.50000 1.0000 + Ni Ni153 1.0 0.08155 0.68774 0.50000 1.0000 + Ni Ni154 1.0 0.08155 0.77107 0.50000 1.0000 + Ni Ni155 1.0 0.08155 0.85440 0.50000 1.0000 + Ni Ni156 1.0 0.08155 0.93774 0.50000 1.0000 + Ni Ni157 1.0 0.16488 0.02107 0.50000 1.0000 + Ni Ni158 1.0 0.16488 0.10440 0.50000 1.0000 + Ni Ni159 1.0 0.16488 0.18774 0.50000 1.0000 + Ni Ni160 1.0 0.16488 0.27107 0.50000 1.0000 + Ni Ni161 1.0 0.16488 0.35440 0.50000 1.0000 + Ni Ni162 1.0 0.16488 0.43774 0.50000 1.0000 + Ni Ni163 1.0 0.16488 0.52107 0.50000 1.0000 + Ni Ni164 1.0 0.16488 0.60440 0.50000 1.0000 + Ni Ni165 1.0 0.16488 0.68774 0.50000 1.0000 + Ni Ni166 1.0 0.16488 0.77107 0.50000 1.0000 + Ni Ni167 1.0 0.16488 0.85440 0.50000 1.0000 + Ni Ni168 1.0 0.16488 0.93774 0.50000 1.0000 + Ni Ni169 1.0 0.24821 0.02107 0.50000 1.0000 + Ni Ni170 1.0 0.24821 0.10440 0.50000 1.0000 + Ni Ni171 1.0 0.24821 0.18774 0.50000 1.0000 + Ni Ni172 1.0 0.24821 0.27107 0.50000 1.0000 + Ni Ni173 1.0 0.24821 0.35440 0.50000 1.0000 + Ni Ni174 1.0 0.24821 0.43774 0.50000 1.0000 + Ni Ni175 1.0 0.24821 0.52107 0.50000 1.0000 + Ni Ni176 1.0 0.24821 0.60440 0.50000 1.0000 + Ni Ni177 1.0 0.24821 0.68774 0.50000 1.0000 + Ni Ni178 1.0 0.24821 0.77107 0.50000 1.0000 + Ni Ni179 1.0 0.24821 0.85440 0.50000 1.0000 + Ni Ni180 1.0 0.24821 0.93774 0.50000 1.0000 + Ni Ni181 1.0 0.33155 0.02107 0.50000 1.0000 + Ni Ni182 1.0 0.33155 0.10440 0.50000 1.0000 + Ni Ni183 1.0 0.33155 0.18774 0.50000 1.0000 + Ni Ni184 1.0 0.33155 0.27107 0.50000 1.0000 + Ni Ni185 1.0 0.33155 0.35440 0.50000 1.0000 + Ni Ni186 1.0 0.33155 0.43774 0.50000 1.0000 + Ni Ni187 1.0 0.33155 0.52107 0.50000 1.0000 + Ni Ni188 1.0 0.33155 0.60440 0.50000 1.0000 + Ni Ni189 1.0 0.33155 0.68774 0.50000 1.0000 + Ni Ni190 1.0 0.33155 0.77107 0.50000 1.0000 + Ni Ni191 1.0 0.33155 0.85440 0.50000 1.0000 + Ni Ni192 1.0 0.33155 0.93774 0.50000 1.0000 + Ni Ni193 1.0 0.41488 0.02107 0.50000 1.0000 + Ni Ni194 1.0 0.41488 0.10440 0.50000 1.0000 + Ni Ni195 1.0 0.41488 0.18774 0.50000 1.0000 + Ni Ni196 1.0 0.41488 0.27107 0.50000 1.0000 + Ni Ni197 1.0 0.41488 0.35440 0.50000 1.0000 + Ni Ni198 1.0 0.41488 0.43774 0.50000 1.0000 + Ni Ni199 1.0 0.41488 0.52107 0.50000 1.0000 + Ni Ni200 1.0 0.41488 0.60440 0.50000 1.0000 + Ni Ni201 1.0 0.41488 0.68774 0.50000 1.0000 + Ni Ni202 1.0 0.41488 0.77107 0.50000 1.0000 + Ni Ni203 1.0 0.41488 0.85440 0.50000 1.0000 + Ni Ni204 1.0 0.41488 0.93774 0.50000 1.0000 + Ni Ni205 1.0 0.49821 0.02107 0.50000 1.0000 + Ni Ni206 1.0 0.49821 0.10440 0.50000 1.0000 + Ni Ni207 1.0 0.49821 0.18774 0.50000 1.0000 + Ni Ni208 1.0 0.49821 0.27107 0.50000 1.0000 + Ni Ni209 1.0 0.49821 0.35440 0.50000 1.0000 + Ni Ni210 1.0 0.49821 0.43774 0.50000 1.0000 + Ni Ni211 1.0 0.49821 0.52107 0.50000 1.0000 + Ni Ni212 1.0 0.49821 0.60440 0.50000 1.0000 + Ni Ni213 1.0 0.49821 0.68774 0.50000 1.0000 + Ni Ni214 1.0 0.49821 0.77107 0.50000 1.0000 + Ni Ni215 1.0 0.49821 0.85440 0.50000 1.0000 + Ni Ni216 1.0 0.49821 0.93774 0.50000 1.0000 + Ni Ni217 1.0 0.58155 0.02107 0.50000 1.0000 + Ni Ni218 1.0 0.58155 0.10440 0.50000 1.0000 + Ni Ni219 1.0 0.58155 0.18774 0.50000 1.0000 + Ni Ni220 1.0 0.58155 0.27107 0.50000 1.0000 + Ni Ni221 1.0 0.58155 0.35440 0.50000 1.0000 + Ni Ni222 1.0 0.58155 0.43774 0.50000 1.0000 + Ni Ni223 1.0 0.58155 0.52107 0.50000 1.0000 + Ni Ni224 1.0 0.58155 0.60440 0.50000 1.0000 + Ni Ni225 1.0 0.58155 0.68774 0.50000 1.0000 + Ni Ni226 1.0 0.58155 0.77107 0.50000 1.0000 + Ni Ni227 1.0 0.58155 0.85440 0.50000 1.0000 + Ni Ni228 1.0 0.58155 0.93774 0.50000 1.0000 + Ni Ni229 1.0 0.66488 0.02107 0.50000 1.0000 + Ni Ni230 1.0 0.66488 0.10440 0.50000 1.0000 + Ni Ni231 1.0 0.66488 0.18774 0.50000 1.0000 + Ni Ni232 1.0 0.66488 0.27107 0.50000 1.0000 + Ni Ni233 1.0 0.66488 0.35440 0.50000 1.0000 + Ni Ni234 1.0 0.66488 0.43774 0.50000 1.0000 + Ni Ni235 1.0 0.66488 0.52107 0.50000 1.0000 + Ni Ni236 1.0 0.66488 0.60440 0.50000 1.0000 + Ni Ni237 1.0 0.66488 0.68774 0.50000 1.0000 + Ni Ni238 1.0 0.66488 0.77107 0.50000 1.0000 + Ni Ni239 1.0 0.66488 0.85440 0.50000 1.0000 + Ni Ni240 1.0 0.66488 0.93774 0.50000 1.0000 + Ni Ni241 1.0 0.74821 0.02107 0.50000 1.0000 + Ni Ni242 1.0 0.74821 0.10440 0.50000 1.0000 + Ni Ni243 1.0 0.74821 0.18774 0.50000 1.0000 + Ni Ni244 1.0 0.74821 0.27107 0.50000 1.0000 + Ni Ni245 1.0 0.74821 0.35440 0.50000 1.0000 + Ni Ni246 1.0 0.74821 0.43774 0.50000 1.0000 + Ni Ni247 1.0 0.74821 0.52107 0.50000 1.0000 + Ni Ni248 1.0 0.74821 0.60440 0.50000 1.0000 + Ni Ni249 1.0 0.74821 0.68774 0.50000 1.0000 + Ni Ni250 1.0 0.74821 0.77107 0.50000 1.0000 + Ni Ni251 1.0 0.74821 0.85440 0.50000 1.0000 + Ni Ni252 1.0 0.74821 0.93774 0.50000 1.0000 + Ni Ni253 1.0 0.83155 0.02107 0.50000 1.0000 + Ni Ni254 1.0 0.83155 0.10440 0.50000 1.0000 + Ni Ni255 1.0 0.83155 0.18774 0.50000 1.0000 + Ni Ni256 1.0 0.83155 0.27107 0.50000 1.0000 + Ni Ni257 1.0 0.83155 0.35440 0.50000 1.0000 + Ni Ni258 1.0 0.83155 0.43774 0.50000 1.0000 + Ni Ni259 1.0 0.83155 0.52107 0.50000 1.0000 + Ni Ni260 1.0 0.83155 0.60440 0.50000 1.0000 + Ni Ni261 1.0 0.83155 0.68774 0.50000 1.0000 + Ni Ni262 1.0 0.83155 0.77107 0.50000 1.0000 + Ni Ni263 1.0 0.83155 0.85440 0.50000 1.0000 + Ni Ni264 1.0 0.83155 0.93774 0.50000 1.0000 + Ni Ni265 1.0 0.91488 0.02107 0.50000 1.0000 + Ni Ni266 1.0 0.91488 0.10440 0.50000 1.0000 + Ni Ni267 1.0 0.91488 0.18774 0.50000 1.0000 + Ni Ni268 1.0 0.91488 0.27107 0.50000 1.0000 + Ni Ni269 1.0 0.91488 0.35440 0.50000 1.0000 + Ni Ni270 1.0 0.91488 0.43774 0.50000 1.0000 + Ni Ni271 1.0 0.91488 0.52107 0.50000 1.0000 + Ni Ni272 1.0 0.91488 0.60440 0.50000 1.0000 + Ni Ni273 1.0 0.91488 0.68774 0.50000 1.0000 + Ni Ni274 1.0 0.91488 0.77107 0.50000 1.0000 + Ni Ni275 1.0 0.91488 0.85440 0.50000 1.0000 + Ni Ni276 1.0 0.91488 0.93774 0.50000 1.0000 + Ni Ni277 1.0 0.99821 0.02107 0.50000 1.0000 + Ni Ni278 1.0 0.99821 0.10440 0.50000 1.0000 + Ni Ni279 1.0 0.99821 0.18774 0.50000 1.0000 + Ni Ni280 1.0 0.99821 0.27107 0.50000 1.0000 + Ni Ni281 1.0 0.99821 0.35440 0.50000 1.0000 + Ni Ni282 1.0 0.99821 0.43774 0.50000 1.0000 + Ni Ni283 1.0 0.99821 0.52107 0.50000 1.0000 + Ni Ni284 1.0 0.99821 0.60440 0.50000 1.0000 + Ni Ni285 1.0 0.99821 0.68774 0.50000 1.0000 + Ni Ni286 1.0 0.99821 0.77107 0.50000 1.0000 + Ni Ni287 1.0 0.99821 0.85440 0.50000 1.0000 + Ni Ni288 1.0 0.99821 0.93774 0.50000 1.0000 + Ni Ni289 1.0 0.08155 0.06226 0.50000 1.0000 + Ni Ni290 1.0 0.08155 0.14560 0.50000 1.0000 + Ni Ni291 1.0 0.08155 0.22893 0.50000 1.0000 + Ni Ni292 1.0 0.08155 0.31226 0.50000 1.0000 + Ni Ni293 1.0 0.08155 0.39560 0.50000 1.0000 + Ni Ni294 1.0 0.08155 0.47893 0.50000 1.0000 + Ni Ni295 1.0 0.08155 0.56226 0.50000 1.0000 + Ni Ni296 1.0 0.08155 0.64560 0.50000 1.0000 + Ni Ni297 1.0 0.08155 0.72893 0.50000 1.0000 + Ni Ni298 1.0 0.08155 0.81226 0.50000 1.0000 + Ni Ni299 1.0 0.08155 0.89560 0.50000 1.0000 + Ni Ni300 1.0 0.08155 0.97893 0.50000 1.0000 + Ni Ni301 1.0 0.16488 0.06226 0.50000 1.0000 + Ni Ni302 1.0 0.16488 0.14560 0.50000 1.0000 + Ni Ni303 1.0 0.16488 0.22893 0.50000 1.0000 + Ni Ni304 1.0 0.16488 0.31226 0.50000 1.0000 + Ni Ni305 1.0 0.16488 0.39560 0.50000 1.0000 + Ni Ni306 1.0 0.16488 0.47893 0.50000 1.0000 + Ni Ni307 1.0 0.16488 0.56226 0.50000 1.0000 + Ni Ni308 1.0 0.16488 0.64560 0.50000 1.0000 + Ni Ni309 1.0 0.16488 0.72893 0.50000 1.0000 + Ni Ni310 1.0 0.16488 0.81226 0.50000 1.0000 + Ni Ni311 1.0 0.16488 0.89560 0.50000 1.0000 + Ni Ni312 1.0 0.16488 0.97893 0.50000 1.0000 + Ni Ni313 1.0 0.24821 0.06226 0.50000 1.0000 + Ni Ni314 1.0 0.24821 0.14560 0.50000 1.0000 + Ni Ni315 1.0 0.24821 0.22893 0.50000 1.0000 + Ni Ni316 1.0 0.24821 0.31226 0.50000 1.0000 + Ni Ni317 1.0 0.24821 0.39560 0.50000 1.0000 + Ni Ni318 1.0 0.24821 0.47893 0.50000 1.0000 + Ni Ni319 1.0 0.24821 0.56226 0.50000 1.0000 + Ni Ni320 1.0 0.24821 0.64560 0.50000 1.0000 + Ni Ni321 1.0 0.24821 0.72893 0.50000 1.0000 + Ni Ni322 1.0 0.24821 0.81226 0.50000 1.0000 + Ni Ni323 1.0 0.24821 0.89560 0.50000 1.0000 + Ni Ni324 1.0 0.24821 0.97893 0.50000 1.0000 + Ni Ni325 1.0 0.33155 0.06226 0.50000 1.0000 + Ni Ni326 1.0 0.33155 0.14560 0.50000 1.0000 + Ni Ni327 1.0 0.33155 0.22893 0.50000 1.0000 + Ni Ni328 1.0 0.33155 0.31226 0.50000 1.0000 + Ni Ni329 1.0 0.33155 0.39560 0.50000 1.0000 + Ni Ni330 1.0 0.33155 0.47893 0.50000 1.0000 + Ni Ni331 1.0 0.33155 0.56226 0.50000 1.0000 + Ni Ni332 1.0 0.33155 0.64560 0.50000 1.0000 + Ni Ni333 1.0 0.33155 0.72893 0.50000 1.0000 + Ni Ni334 1.0 0.33155 0.81226 0.50000 1.0000 + Ni Ni335 1.0 0.33155 0.89560 0.50000 1.0000 + Ni Ni336 1.0 0.33155 0.97893 0.50000 1.0000 + Ni Ni337 1.0 0.41488 0.06226 0.50000 1.0000 + Ni Ni338 1.0 0.41488 0.14560 0.50000 1.0000 + Ni Ni339 1.0 0.41488 0.22893 0.50000 1.0000 + Ni Ni340 1.0 0.41488 0.31226 0.50000 1.0000 + Ni Ni341 1.0 0.41488 0.39560 0.50000 1.0000 + Ni Ni342 1.0 0.41488 0.47893 0.50000 1.0000 + Ni Ni343 1.0 0.41488 0.56226 0.50000 1.0000 + Ni Ni344 1.0 0.41488 0.64560 0.50000 1.0000 + Ni Ni345 1.0 0.41488 0.72893 0.50000 1.0000 + Ni Ni346 1.0 0.41488 0.81226 0.50000 1.0000 + Ni Ni347 1.0 0.41488 0.89560 0.50000 1.0000 + Ni Ni348 1.0 0.41488 0.97893 0.50000 1.0000 + Ni Ni349 1.0 0.49821 0.06226 0.50000 1.0000 + Ni Ni350 1.0 0.49821 0.14560 0.50000 1.0000 + Ni Ni351 1.0 0.49821 0.22893 0.50000 1.0000 + Ni Ni352 1.0 0.49821 0.31226 0.50000 1.0000 + Ni Ni353 1.0 0.49821 0.39560 0.50000 1.0000 + Ni Ni354 1.0 0.49821 0.47893 0.50000 1.0000 + Ni Ni355 1.0 0.49821 0.56226 0.50000 1.0000 + Ni Ni356 1.0 0.49821 0.64560 0.50000 1.0000 + Ni Ni357 1.0 0.49821 0.72893 0.50000 1.0000 + Ni Ni358 1.0 0.49821 0.81226 0.50000 1.0000 + Ni Ni359 1.0 0.49821 0.89560 0.50000 1.0000 + Ni Ni360 1.0 0.49821 0.97893 0.50000 1.0000 + Ni Ni361 1.0 0.58155 0.06226 0.50000 1.0000 + Ni Ni362 1.0 0.58155 0.14560 0.50000 1.0000 + Ni Ni363 1.0 0.58155 0.22893 0.50000 1.0000 + Ni Ni364 1.0 0.58155 0.31226 0.50000 1.0000 + Ni Ni365 1.0 0.58155 0.39560 0.50000 1.0000 + Ni Ni366 1.0 0.58155 0.47893 0.50000 1.0000 + Ni Ni367 1.0 0.58155 0.56226 0.50000 1.0000 + Ni Ni368 1.0 0.58155 0.64560 0.50000 1.0000 + Ni Ni369 1.0 0.58155 0.72893 0.50000 1.0000 + Ni Ni370 1.0 0.58155 0.81226 0.50000 1.0000 + Ni Ni371 1.0 0.58155 0.89560 0.50000 1.0000 + Ni Ni372 1.0 0.58155 0.97893 0.50000 1.0000 + Ni Ni373 1.0 0.66488 0.06226 0.50000 1.0000 + Ni Ni374 1.0 0.66488 0.14560 0.50000 1.0000 + Ni Ni375 1.0 0.66488 0.22893 0.50000 1.0000 + Ni Ni376 1.0 0.66488 0.31226 0.50000 1.0000 + Ni Ni377 1.0 0.66488 0.39560 0.50000 1.0000 + Ni Ni378 1.0 0.66488 0.47893 0.50000 1.0000 + Ni Ni379 1.0 0.66488 0.56226 0.50000 1.0000 + Ni Ni380 1.0 0.66488 0.64560 0.50000 1.0000 + Ni Ni381 1.0 0.66488 0.72893 0.50000 1.0000 + Ni Ni382 1.0 0.66488 0.81226 0.50000 1.0000 + Ni Ni383 1.0 0.66488 0.89560 0.50000 1.0000 + Ni Ni384 1.0 0.66488 0.97893 0.50000 1.0000 + Ni Ni385 1.0 0.74821 0.06226 0.50000 1.0000 + Ni Ni386 1.0 0.74821 0.14560 0.50000 1.0000 + Ni Ni387 1.0 0.74821 0.22893 0.50000 1.0000 + Ni Ni388 1.0 0.74821 0.31226 0.50000 1.0000 + Ni Ni389 1.0 0.74821 0.39560 0.50000 1.0000 + Ni Ni390 1.0 0.74821 0.47893 0.50000 1.0000 + Ni Ni391 1.0 0.74821 0.56226 0.50000 1.0000 + Ni Ni392 1.0 0.74821 0.64560 0.50000 1.0000 + Ni Ni393 1.0 0.74821 0.72893 0.50000 1.0000 + Ni Ni394 1.0 0.74821 0.81226 0.50000 1.0000 + Ni Ni395 1.0 0.74821 0.89560 0.50000 1.0000 + Ni Ni396 1.0 0.74821 0.97893 0.50000 1.0000 + Ni Ni397 1.0 0.83155 0.06226 0.50000 1.0000 + Ni Ni398 1.0 0.83155 0.14560 0.50000 1.0000 + Ni Ni399 1.0 0.83155 0.22893 0.50000 1.0000 + Ni Ni400 1.0 0.83155 0.31226 0.50000 1.0000 + Ni Ni401 1.0 0.83155 0.39560 0.50000 1.0000 + Ni Ni402 1.0 0.83155 0.47893 0.50000 1.0000 + Ni Ni403 1.0 0.83155 0.56226 0.50000 1.0000 + Ni Ni404 1.0 0.83155 0.64560 0.50000 1.0000 + Ni Ni405 1.0 0.83155 0.72893 0.50000 1.0000 + Ni Ni406 1.0 0.83155 0.81226 0.50000 1.0000 + Ni Ni407 1.0 0.83155 0.89560 0.50000 1.0000 + Ni Ni408 1.0 0.83155 0.97893 0.50000 1.0000 + Ni Ni409 1.0 0.91488 0.06226 0.50000 1.0000 + Ni Ni410 1.0 0.91488 0.14560 0.50000 1.0000 + Ni Ni411 1.0 0.91488 0.22893 0.50000 1.0000 + Ni Ni412 1.0 0.91488 0.31226 0.50000 1.0000 + Ni Ni413 1.0 0.91488 0.39560 0.50000 1.0000 + Ni Ni414 1.0 0.91488 0.47893 0.50000 1.0000 + Ni Ni415 1.0 0.91488 0.56226 0.50000 1.0000 + Ni Ni416 1.0 0.91488 0.64560 0.50000 1.0000 + Ni Ni417 1.0 0.91488 0.72893 0.50000 1.0000 + Ni Ni418 1.0 0.91488 0.81226 0.50000 1.0000 + Ni Ni419 1.0 0.91488 0.89560 0.50000 1.0000 + Ni Ni420 1.0 0.91488 0.97893 0.50000 1.0000 + Ni Ni421 1.0 0.99821 0.06226 0.50000 1.0000 + Ni Ni422 1.0 0.99821 0.14560 0.50000 1.0000 + Ni Ni423 1.0 0.99821 0.22893 0.50000 1.0000 + Ni Ni424 1.0 0.99821 0.31226 0.50000 1.0000 + Ni Ni425 1.0 0.99821 0.39560 0.50000 1.0000 + Ni Ni426 1.0 0.99821 0.47893 0.50000 1.0000 + Ni Ni427 1.0 0.99821 0.56226 0.50000 1.0000 + Ni Ni428 1.0 0.99821 0.64560 0.50000 1.0000 + Ni Ni429 1.0 0.99821 0.72893 0.50000 1.0000 + Ni Ni430 1.0 0.99821 0.81226 0.50000 1.0000 + Ni Ni431 1.0 0.99821 0.89560 0.50000 1.0000 + Ni Ni432 1.0 0.99821 0.97893 0.50000 1.0000 + O O1 1.0 0.00821 0.00000 0.34396 1.0000 + O O2 1.0 0.00821 0.08333 0.34396 1.0000 + O O3 1.0 0.00821 0.16667 0.34396 1.0000 + O O4 1.0 0.00821 0.25000 0.34396 1.0000 + O O5 1.0 0.00821 0.33333 0.34396 1.0000 + O O6 1.0 0.00821 0.41667 0.34396 1.0000 + O O7 1.0 0.00821 0.50000 0.34396 1.0000 + O O8 1.0 0.00821 0.58333 0.34396 1.0000 + O O9 1.0 0.00821 0.66667 0.34396 1.0000 + O O10 1.0 0.00821 0.75000 0.34396 1.0000 + O O11 1.0 0.00821 0.83333 0.34396 1.0000 + O O12 1.0 0.00821 0.91667 0.34396 1.0000 + O O13 1.0 0.09155 0.00000 0.34396 1.0000 + O O14 1.0 0.09155 0.08333 0.34396 1.0000 + O O15 1.0 0.09155 0.16667 0.34396 1.0000 + O O16 1.0 0.09155 0.25000 0.34396 1.0000 + O O17 1.0 0.09155 0.33333 0.34396 1.0000 + O O18 1.0 0.09155 0.41667 0.34396 1.0000 + O O19 1.0 0.09155 0.50000 0.34396 1.0000 + O O20 1.0 0.09155 0.58333 0.34396 1.0000 + O O21 1.0 0.09155 0.66667 0.34396 1.0000 + O O22 1.0 0.09155 0.75000 0.34396 1.0000 + O O23 1.0 0.09155 0.83333 0.34396 1.0000 + O O24 1.0 0.09155 0.91667 0.34396 1.0000 + O O25 1.0 0.17488 0.00000 0.34396 1.0000 + O O26 1.0 0.17488 0.08333 0.34396 1.0000 + O O27 1.0 0.17488 0.16667 0.34396 1.0000 + O O28 1.0 0.17488 0.25000 0.34396 1.0000 + O O29 1.0 0.17488 0.33333 0.34396 1.0000 + O O30 1.0 0.17488 0.41667 0.34396 1.0000 + O O31 1.0 0.17488 0.50000 0.34396 1.0000 + O O32 1.0 0.17488 0.58333 0.34396 1.0000 + O O33 1.0 0.17488 0.66667 0.34396 1.0000 + O O34 1.0 0.17488 0.75000 0.34396 1.0000 + O O35 1.0 0.17488 0.83333 0.34396 1.0000 + O O36 1.0 0.17488 0.91667 0.34396 1.0000 + O O37 1.0 0.25821 0.00000 0.34396 1.0000 + O O38 1.0 0.25821 0.08333 0.34396 1.0000 + O O39 1.0 0.25821 0.16667 0.34396 1.0000 + O O40 1.0 0.25821 0.25000 0.34396 1.0000 + O O41 1.0 0.25821 0.33333 0.34396 1.0000 + O O42 1.0 0.25821 0.41667 0.34396 1.0000 + O O43 1.0 0.25821 0.50000 0.34396 1.0000 + O O44 1.0 0.25821 0.58333 0.34396 1.0000 + O O45 1.0 0.25821 0.66667 0.34396 1.0000 + O O46 1.0 0.25821 0.75000 0.34396 1.0000 + O O47 1.0 0.25821 0.83333 0.34396 1.0000 + O O48 1.0 0.25821 0.91667 0.34396 1.0000 + O O49 1.0 0.34155 0.00000 0.34396 1.0000 + O O50 1.0 0.34155 0.08333 0.34396 1.0000 + O O51 1.0 0.34155 0.16667 0.34396 1.0000 + O O52 1.0 0.34155 0.25000 0.34396 1.0000 + O O53 1.0 0.34155 0.33333 0.34396 1.0000 + O O54 1.0 0.34155 0.41667 0.34396 1.0000 + O O55 1.0 0.34155 0.50000 0.34396 1.0000 + O O56 1.0 0.34155 0.58333 0.34396 1.0000 + O O57 1.0 0.34155 0.66667 0.34396 1.0000 + O O58 1.0 0.34155 0.75000 0.34396 1.0000 + O O59 1.0 0.34155 0.83333 0.34396 1.0000 + O O60 1.0 0.34155 0.91667 0.34396 1.0000 + O O61 1.0 0.42488 0.00000 0.34396 1.0000 + O O62 1.0 0.42488 0.08333 0.34396 1.0000 + O O63 1.0 0.42488 0.16667 0.34396 1.0000 + O O64 1.0 0.42488 0.25000 0.34396 1.0000 + O O65 1.0 0.42488 0.33333 0.34396 1.0000 + O O66 1.0 0.42488 0.41667 0.34396 1.0000 + O O67 1.0 0.42488 0.50000 0.34396 1.0000 + O O68 1.0 0.42488 0.58333 0.34396 1.0000 + O O69 1.0 0.42488 0.66667 0.34396 1.0000 + O O70 1.0 0.42488 0.75000 0.34396 1.0000 + O O71 1.0 0.42488 0.83333 0.34396 1.0000 + O O72 1.0 0.42488 0.91667 0.34396 1.0000 + O O73 1.0 0.50821 0.00000 0.34396 1.0000 + O O74 1.0 0.50821 0.08333 0.34396 1.0000 + O O75 1.0 0.50821 0.16667 0.34396 1.0000 + O O76 1.0 0.50821 0.25000 0.34396 1.0000 + O O77 1.0 0.50821 0.33333 0.34396 1.0000 + O O78 1.0 0.50821 0.41667 0.34396 1.0000 + O O79 1.0 0.50821 0.50000 0.34396 1.0000 + O O80 1.0 0.50821 0.58333 0.34396 1.0000 + O O81 1.0 0.50821 0.66667 0.34396 1.0000 + O O82 1.0 0.50821 0.75000 0.34396 1.0000 + O O83 1.0 0.50821 0.83333 0.34396 1.0000 + O O84 1.0 0.50821 0.91667 0.34396 1.0000 + O O85 1.0 0.59155 0.00000 0.34396 1.0000 + O O86 1.0 0.59155 0.08333 0.34396 1.0000 + O O87 1.0 0.59155 0.16667 0.34396 1.0000 + O O88 1.0 0.59155 0.25000 0.34396 1.0000 + O O89 1.0 0.59155 0.33333 0.34396 1.0000 + O O90 1.0 0.59155 0.41667 0.34396 1.0000 + O O91 1.0 0.59155 0.50000 0.34396 1.0000 + O O92 1.0 0.59155 0.58333 0.34396 1.0000 + O O93 1.0 0.59155 0.66667 0.34396 1.0000 + O O94 1.0 0.59155 0.75000 0.34396 1.0000 + O O95 1.0 0.59155 0.83333 0.34396 1.0000 + O O96 1.0 0.59155 0.91667 0.34396 1.0000 + O O97 1.0 0.67488 0.00000 0.34396 1.0000 + O O98 1.0 0.67488 0.08333 0.34396 1.0000 + O O99 1.0 0.67488 0.16667 0.34396 1.0000 + O O100 1.0 0.67488 0.25000 0.34396 1.0000 + O O101 1.0 0.67488 0.33333 0.34396 1.0000 + O O102 1.0 0.67488 0.41667 0.34396 1.0000 + O O103 1.0 0.67488 0.50000 0.34396 1.0000 + O O104 1.0 0.67488 0.58333 0.34396 1.0000 + O O105 1.0 0.67488 0.66667 0.34396 1.0000 + O O106 1.0 0.67488 0.75000 0.34396 1.0000 + O O107 1.0 0.67488 0.83333 0.34396 1.0000 + O O108 1.0 0.67488 0.91667 0.34396 1.0000 + O O109 1.0 0.75821 0.00000 0.34396 1.0000 + O O110 1.0 0.75821 0.08333 0.34396 1.0000 + O O111 1.0 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0.34654 1.0000 + O O1151 1.0 0.97197 0.85660 0.34654 1.0000 + O O1152 1.0 0.97197 0.93994 0.34654 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5934_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5934_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..321e2dfd4d1a7fa32a33342fa848ea213fb4af21 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5934_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural Si1024 +_chemical_formula_sum "Si1024" +_cell_length_a 107.408 +_cell_length_b 62.0073 +_cell_length_c 4.50777 +_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 0.00521 0.04687 0.44368 1.0000 + Si Si2 1.0 0.97396 0.07812 0.44368 1.0000 + Si Si3 1.0 0.94271 0.10937 0.44368 1.0000 + Si Si4 1.0 0.91146 0.14062 0.44368 1.0000 + Si Si5 1.0 0.88021 0.17187 0.44368 1.0000 + Si Si6 1.0 0.84896 0.20312 0.44368 1.0000 + Si Si7 1.0 0.81771 0.23437 0.44368 1.0000 + Si Si8 1.0 0.78646 0.26562 0.44368 1.0000 + Si Si9 1.0 0.75521 0.29687 0.44368 1.0000 + Si Si10 1.0 0.72396 0.32812 0.44368 1.0000 + Si Si11 1.0 0.69271 0.35937 0.44368 1.0000 + Si Si12 1.0 0.66146 0.39062 0.44368 1.0000 + Si Si13 1.0 0.63021 0.42187 0.44368 1.0000 + Si Si14 1.0 0.59896 0.45312 0.44368 1.0000 + Si Si15 1.0 0.56771 0.48437 0.44368 1.0000 + Si Si16 1.0 0.53646 0.51562 0.44368 1.0000 + Si Si17 1.0 0.03646 0.07812 0.44368 1.0000 + Si Si18 1.0 0.00521 0.10937 0.44368 1.0000 + Si Si19 1.0 0.97396 0.14062 0.44368 1.0000 + Si Si20 1.0 0.94271 0.17187 0.44368 1.0000 + Si Si21 1.0 0.91146 0.20312 0.44368 1.0000 + Si Si22 1.0 0.88021 0.23437 0.44368 1.0000 + Si Si23 1.0 0.84896 0.26562 0.44368 1.0000 + Si Si24 1.0 0.81771 0.29687 0.44368 1.0000 + Si Si25 1.0 0.78646 0.32812 0.44368 1.0000 + Si Si26 1.0 0.75521 0.35937 0.44368 1.0000 + Si Si27 1.0 0.72396 0.39062 0.44368 1.0000 + Si Si28 1.0 0.69271 0.42187 0.44368 1.0000 + Si Si29 1.0 0.66146 0.45312 0.44368 1.0000 + Si Si30 1.0 0.63021 0.48437 0.44368 1.0000 + Si Si31 1.0 0.59896 0.51562 0.44368 1.0000 + Si Si32 1.0 0.56771 0.54687 0.44368 1.0000 + Si Si33 1.0 0.06771 0.10937 0.44368 1.0000 + Si Si34 1.0 0.03646 0.14062 0.44368 1.0000 + Si Si35 1.0 0.00521 0.17187 0.44368 1.0000 + Si Si36 1.0 0.97396 0.20312 0.44368 1.0000 + Si Si37 1.0 0.94271 0.23437 0.44368 1.0000 + Si Si38 1.0 0.91146 0.26562 0.44368 1.0000 + Si Si39 1.0 0.88021 0.29687 0.44368 1.0000 + Si Si40 1.0 0.84896 0.32812 0.44368 1.0000 + Si Si41 1.0 0.81771 0.35937 0.44368 1.0000 + Si Si42 1.0 0.78646 0.39062 0.44368 1.0000 + Si Si43 1.0 0.75521 0.42187 0.44368 1.0000 + Si Si44 1.0 0.72396 0.45312 0.44368 1.0000 + Si Si45 1.0 0.69271 0.48437 0.44368 1.0000 + Si Si46 1.0 0.66146 0.51562 0.44368 1.0000 + Si Si47 1.0 0.63021 0.54687 0.44368 1.0000 + Si Si48 1.0 0.59896 0.57812 0.44368 1.0000 + Si Si49 1.0 0.09896 0.14062 0.44368 1.0000 + Si Si50 1.0 0.06771 0.17187 0.44368 1.0000 + Si Si51 1.0 0.03646 0.20312 0.44368 1.0000 + Si Si52 1.0 0.00521 0.23437 0.44368 1.0000 + Si Si53 1.0 0.97396 0.26562 0.44368 1.0000 + Si Si54 1.0 0.94271 0.29687 0.44368 1.0000 + Si Si55 1.0 0.91146 0.32812 0.44368 1.0000 + Si Si56 1.0 0.88021 0.35937 0.44368 1.0000 + Si Si57 1.0 0.84896 0.39062 0.44368 1.0000 + Si Si58 1.0 0.81771 0.42187 0.44368 1.0000 + Si Si59 1.0 0.78646 0.45312 0.44368 1.0000 + Si Si60 1.0 0.75521 0.48437 0.44368 1.0000 + Si Si61 1.0 0.72396 0.51562 0.44368 1.0000 + Si Si62 1.0 0.69271 0.54687 0.44368 1.0000 + Si Si63 1.0 0.66146 0.57812 0.44368 1.0000 + Si Si64 1.0 0.63021 0.60937 0.44368 1.0000 + Si Si65 1.0 0.13021 0.17187 0.44368 1.0000 + Si Si66 1.0 0.09896 0.20312 0.44368 1.0000 + Si Si67 1.0 0.06771 0.23437 0.44368 1.0000 + Si Si68 1.0 0.03646 0.26562 0.44368 1.0000 + Si Si69 1.0 0.00521 0.29687 0.44368 1.0000 + Si Si70 1.0 0.97396 0.32812 0.44368 1.0000 + Si Si71 1.0 0.94271 0.35937 0.44368 1.0000 + Si Si72 1.0 0.91146 0.39062 0.44368 1.0000 + Si Si73 1.0 0.88021 0.42187 0.44368 1.0000 + Si Si74 1.0 0.84896 0.45312 0.44368 1.0000 + Si Si75 1.0 0.81771 0.48437 0.44368 1.0000 + Si Si76 1.0 0.78646 0.51562 0.44368 1.0000 + Si Si77 1.0 0.75521 0.54687 0.44368 1.0000 + Si Si78 1.0 0.72396 0.57812 0.44368 1.0000 + Si Si79 1.0 0.69271 0.60937 0.44368 1.0000 + Si Si80 1.0 0.66146 0.64062 0.44368 1.0000 + Si Si81 1.0 0.16146 0.20312 0.44368 1.0000 + Si Si82 1.0 0.13021 0.23437 0.44368 1.0000 + Si Si83 1.0 0.09896 0.26562 0.44368 1.0000 + Si Si84 1.0 0.06771 0.29687 0.44368 1.0000 + Si Si85 1.0 0.03646 0.32812 0.44368 1.0000 + Si Si86 1.0 0.00521 0.35937 0.44368 1.0000 + Si Si87 1.0 0.97396 0.39062 0.44368 1.0000 + Si Si88 1.0 0.94271 0.42187 0.44368 1.0000 + Si Si89 1.0 0.91146 0.45312 0.44368 1.0000 + Si Si90 1.0 0.88021 0.48437 0.44368 1.0000 + Si Si91 1.0 0.84896 0.51562 0.44368 1.0000 + Si Si92 1.0 0.81771 0.54687 0.44368 1.0000 + Si Si93 1.0 0.78646 0.57812 0.44368 1.0000 + Si Si94 1.0 0.75521 0.60937 0.44368 1.0000 + Si Si95 1.0 0.72396 0.64062 0.44368 1.0000 + Si Si96 1.0 0.69271 0.67187 0.44368 1.0000 + Si Si97 1.0 0.19271 0.23437 0.44368 1.0000 + Si Si98 1.0 0.16146 0.26562 0.44368 1.0000 + Si Si99 1.0 0.13021 0.29687 0.44368 1.0000 + Si Si100 1.0 0.09896 0.32812 0.44368 1.0000 + Si Si101 1.0 0.06771 0.35937 0.44368 1.0000 + Si Si102 1.0 0.03646 0.39062 0.44368 1.0000 + Si Si103 1.0 0.00521 0.42187 0.44368 1.0000 + Si Si104 1.0 0.97396 0.45312 0.44368 1.0000 + Si Si105 1.0 0.94271 0.48437 0.44368 1.0000 + Si Si106 1.0 0.91146 0.51562 0.44368 1.0000 + Si Si107 1.0 0.88021 0.54687 0.44368 1.0000 + Si Si108 1.0 0.84896 0.57812 0.44368 1.0000 + Si Si109 1.0 0.81771 0.60937 0.44368 1.0000 + Si Si110 1.0 0.78646 0.64062 0.44368 1.0000 + Si Si111 1.0 0.75521 0.67187 0.44368 1.0000 + Si Si112 1.0 0.72396 0.70312 0.44368 1.0000 + Si Si113 1.0 0.22396 0.26562 0.44368 1.0000 + Si Si114 1.0 0.19271 0.29687 0.44368 1.0000 + Si Si115 1.0 0.16146 0.32812 0.44368 1.0000 + Si Si116 1.0 0.13021 0.35937 0.44368 1.0000 + Si Si117 1.0 0.09896 0.39062 0.44368 1.0000 + Si Si118 1.0 0.06771 0.42187 0.44368 1.0000 + Si Si119 1.0 0.03646 0.45312 0.44368 1.0000 + Si Si120 1.0 0.00521 0.48437 0.44368 1.0000 + Si Si121 1.0 0.97396 0.51562 0.44368 1.0000 + Si Si122 1.0 0.94271 0.54687 0.44368 1.0000 + Si Si123 1.0 0.91146 0.57812 0.44368 1.0000 + Si Si124 1.0 0.88021 0.60937 0.44368 1.0000 + Si Si125 1.0 0.84896 0.64062 0.44368 1.0000 + Si Si126 1.0 0.81771 0.67187 0.44368 1.0000 + Si Si127 1.0 0.78646 0.70312 0.44368 1.0000 + Si Si128 1.0 0.75521 0.73437 0.44368 1.0000 + Si Si129 1.0 0.25521 0.29687 0.44368 1.0000 + Si Si130 1.0 0.22396 0.32812 0.44368 1.0000 + Si Si131 1.0 0.19271 0.35937 0.44368 1.0000 + Si Si132 1.0 0.16146 0.39062 0.44368 1.0000 + Si Si133 1.0 0.13021 0.42187 0.44368 1.0000 + Si Si134 1.0 0.09896 0.45312 0.44368 1.0000 + Si Si135 1.0 0.06771 0.48437 0.44368 1.0000 + Si Si136 1.0 0.03646 0.51562 0.44368 1.0000 + Si Si137 1.0 0.00521 0.54687 0.44368 1.0000 + Si Si138 1.0 0.97396 0.57812 0.44368 1.0000 + Si Si139 1.0 0.94271 0.60937 0.44368 1.0000 + Si Si140 1.0 0.91146 0.64062 0.44368 1.0000 + Si Si141 1.0 0.88021 0.67187 0.44368 1.0000 + Si Si142 1.0 0.84896 0.70312 0.44368 1.0000 + Si Si143 1.0 0.81771 0.73437 0.44368 1.0000 + Si Si144 1.0 0.78646 0.76562 0.44368 1.0000 + Si Si145 1.0 0.28646 0.32812 0.44368 1.0000 + Si Si146 1.0 0.25521 0.35937 0.44368 1.0000 + Si Si147 1.0 0.22396 0.39062 0.44368 1.0000 + Si Si148 1.0 0.19271 0.42187 0.44368 1.0000 + Si Si149 1.0 0.16146 0.45312 0.44368 1.0000 + Si Si150 1.0 0.13021 0.48437 0.44368 1.0000 + Si Si151 1.0 0.09896 0.51562 0.44368 1.0000 + Si Si152 1.0 0.06771 0.54687 0.44368 1.0000 + Si Si153 1.0 0.03646 0.57812 0.44368 1.0000 + Si Si154 1.0 0.00521 0.60937 0.44368 1.0000 + Si Si155 1.0 0.97396 0.64062 0.44368 1.0000 + Si Si156 1.0 0.94271 0.67187 0.44368 1.0000 + Si Si157 1.0 0.91146 0.70312 0.44368 1.0000 + Si Si158 1.0 0.88021 0.73437 0.44368 1.0000 + Si Si159 1.0 0.84896 0.76562 0.44368 1.0000 + Si Si160 1.0 0.81771 0.79687 0.44368 1.0000 + Si Si161 1.0 0.31771 0.35937 0.44368 1.0000 + Si Si162 1.0 0.28646 0.39062 0.44368 1.0000 + Si Si163 1.0 0.25521 0.42187 0.44368 1.0000 + Si Si164 1.0 0.22396 0.45312 0.44368 1.0000 + Si Si165 1.0 0.19271 0.48437 0.44368 1.0000 + Si Si166 1.0 0.16146 0.51562 0.44368 1.0000 + Si Si167 1.0 0.13021 0.54687 0.44368 1.0000 + Si Si168 1.0 0.09896 0.57812 0.44368 1.0000 + Si Si169 1.0 0.06771 0.60937 0.44368 1.0000 + Si Si170 1.0 0.03646 0.64062 0.44368 1.0000 + Si Si171 1.0 0.00521 0.67187 0.44368 1.0000 + Si Si172 1.0 0.97396 0.70312 0.44368 1.0000 + Si Si173 1.0 0.94271 0.73437 0.44368 1.0000 + Si Si174 1.0 0.91146 0.76562 0.44368 1.0000 + Si Si175 1.0 0.88021 0.79687 0.44368 1.0000 + Si Si176 1.0 0.84896 0.82812 0.44368 1.0000 + Si Si177 1.0 0.34896 0.39062 0.44368 1.0000 + Si Si178 1.0 0.31771 0.42187 0.44368 1.0000 + Si Si179 1.0 0.28646 0.45312 0.44368 1.0000 + Si Si180 1.0 0.25521 0.48437 0.44368 1.0000 + Si Si181 1.0 0.22396 0.51562 0.44368 1.0000 + Si Si182 1.0 0.19271 0.54687 0.44368 1.0000 + Si Si183 1.0 0.16146 0.57812 0.44368 1.0000 + Si Si184 1.0 0.13021 0.60937 0.44368 1.0000 + Si Si185 1.0 0.09896 0.64062 0.44368 1.0000 + Si Si186 1.0 0.06771 0.67187 0.44368 1.0000 + Si Si187 1.0 0.03646 0.70312 0.44368 1.0000 + Si Si188 1.0 0.00521 0.73437 0.44368 1.0000 + Si Si189 1.0 0.97396 0.76562 0.44368 1.0000 + Si Si190 1.0 0.94271 0.79687 0.44368 1.0000 + Si Si191 1.0 0.91146 0.82812 0.44368 1.0000 + Si Si192 1.0 0.88021 0.85937 0.44368 1.0000 + Si Si193 1.0 0.38021 0.42187 0.44368 1.0000 + Si Si194 1.0 0.34896 0.45312 0.44368 1.0000 + Si Si195 1.0 0.31771 0.48437 0.44368 1.0000 + Si Si196 1.0 0.28646 0.51562 0.44368 1.0000 + Si Si197 1.0 0.25521 0.54687 0.44368 1.0000 + Si Si198 1.0 0.22396 0.57812 0.44368 1.0000 + Si Si199 1.0 0.19271 0.60937 0.44368 1.0000 + Si Si200 1.0 0.16146 0.64062 0.44368 1.0000 + Si Si201 1.0 0.13021 0.67187 0.44368 1.0000 + Si Si202 1.0 0.09896 0.70312 0.44368 1.0000 + Si Si203 1.0 0.06771 0.73437 0.44368 1.0000 + Si Si204 1.0 0.03646 0.76562 0.44368 1.0000 + Si Si205 1.0 0.00521 0.79687 0.44368 1.0000 + Si Si206 1.0 0.97396 0.82812 0.44368 1.0000 + Si Si207 1.0 0.94271 0.85937 0.44368 1.0000 + Si Si208 1.0 0.91146 0.89062 0.44368 1.0000 + Si Si209 1.0 0.41146 0.45312 0.44368 1.0000 + Si Si210 1.0 0.38021 0.48437 0.44368 1.0000 + Si Si211 1.0 0.34896 0.51562 0.44368 1.0000 + Si Si212 1.0 0.31771 0.54687 0.44368 1.0000 + Si Si213 1.0 0.28646 0.57812 0.44368 1.0000 + Si Si214 1.0 0.25521 0.60937 0.44368 1.0000 + Si Si215 1.0 0.22396 0.64062 0.44368 1.0000 + Si Si216 1.0 0.19271 0.67187 0.44368 1.0000 + Si Si217 1.0 0.16146 0.70312 0.44368 1.0000 + Si Si218 1.0 0.13021 0.73437 0.44368 1.0000 + Si Si219 1.0 0.09896 0.76562 0.44368 1.0000 + Si Si220 1.0 0.06771 0.79687 0.44368 1.0000 + Si Si221 1.0 0.03646 0.82812 0.44368 1.0000 + Si Si222 1.0 0.00521 0.85937 0.44368 1.0000 + Si Si223 1.0 0.97396 0.89062 0.44368 1.0000 + Si Si224 1.0 0.94271 0.92187 0.44368 1.0000 + Si Si225 1.0 0.44271 0.48437 0.44368 1.0000 + Si Si226 1.0 0.41146 0.51562 0.44368 1.0000 + Si Si227 1.0 0.38021 0.54687 0.44368 1.0000 + Si Si228 1.0 0.34896 0.57812 0.44368 1.0000 + Si Si229 1.0 0.31771 0.60937 0.44368 1.0000 + Si Si230 1.0 0.28646 0.64062 0.44368 1.0000 + Si Si231 1.0 0.25521 0.67187 0.44368 1.0000 + Si Si232 1.0 0.22396 0.70312 0.44368 1.0000 + Si Si233 1.0 0.19271 0.73437 0.44368 1.0000 + Si Si234 1.0 0.16146 0.76562 0.44368 1.0000 + Si Si235 1.0 0.13021 0.79687 0.44368 1.0000 + Si Si236 1.0 0.09896 0.82812 0.44368 1.0000 + Si Si237 1.0 0.06771 0.85937 0.44368 1.0000 + Si Si238 1.0 0.03646 0.89062 0.44368 1.0000 + Si Si239 1.0 0.00521 0.92187 0.44368 1.0000 + Si Si240 1.0 0.97396 0.95312 0.44368 1.0000 + Si Si241 1.0 0.47396 0.51562 0.44368 1.0000 + Si Si242 1.0 0.44271 0.54687 0.44368 1.0000 + Si Si243 1.0 0.41146 0.57812 0.44368 1.0000 + Si Si244 1.0 0.38021 0.60937 0.44368 1.0000 + Si Si245 1.0 0.34896 0.64062 0.44368 1.0000 + Si Si246 1.0 0.31771 0.67187 0.44368 1.0000 + Si Si247 1.0 0.28646 0.70312 0.44368 1.0000 + Si Si248 1.0 0.25521 0.73437 0.44368 1.0000 + Si Si249 1.0 0.22396 0.76562 0.44368 1.0000 + Si Si250 1.0 0.19271 0.79687 0.44368 1.0000 + Si Si251 1.0 0.16146 0.82812 0.44368 1.0000 + Si Si252 1.0 0.13021 0.85937 0.44368 1.0000 + Si Si253 1.0 0.09896 0.89062 0.44368 1.0000 + Si Si254 1.0 0.06771 0.92187 0.44368 1.0000 + Si Si255 1.0 0.03646 0.95312 0.44368 1.0000 + Si Si256 1.0 0.00521 0.98437 0.44368 1.0000 + Si Si257 1.0 0.99479 0.01563 0.55632 1.0000 + Si Si258 1.0 0.96354 0.04688 0.55632 1.0000 + Si Si259 1.0 0.93229 0.07813 0.55632 1.0000 + Si Si260 1.0 0.90104 0.10938 0.55632 1.0000 + Si Si261 1.0 0.86979 0.14063 0.55632 1.0000 + Si Si262 1.0 0.83854 0.17188 0.55632 1.0000 + Si Si263 1.0 0.80729 0.20313 0.55632 1.0000 + Si Si264 1.0 0.77604 0.23438 0.55632 1.0000 + Si Si265 1.0 0.74479 0.26563 0.55632 1.0000 + Si Si266 1.0 0.71354 0.29688 0.55632 1.0000 + Si Si267 1.0 0.68229 0.32813 0.55632 1.0000 + Si Si268 1.0 0.65104 0.35938 0.55632 1.0000 + Si Si269 1.0 0.61979 0.39063 0.55632 1.0000 + Si Si270 1.0 0.58854 0.42188 0.55632 1.0000 + Si Si271 1.0 0.55729 0.45313 0.55632 1.0000 + Si Si272 1.0 0.52604 0.48438 0.55632 1.0000 + Si Si273 1.0 0.02604 0.04688 0.55632 1.0000 + Si Si274 1.0 0.99479 0.07813 0.55632 1.0000 + Si Si275 1.0 0.96354 0.10938 0.55632 1.0000 + Si Si276 1.0 0.93229 0.14063 0.55632 1.0000 + Si Si277 1.0 0.90104 0.17188 0.55632 1.0000 + Si Si278 1.0 0.86979 0.20313 0.55632 1.0000 + Si Si279 1.0 0.83854 0.23438 0.55632 1.0000 + Si Si280 1.0 0.80729 0.26563 0.55632 1.0000 + Si Si281 1.0 0.77604 0.29688 0.55632 1.0000 + Si Si282 1.0 0.74479 0.32813 0.55632 1.0000 + Si Si283 1.0 0.71354 0.35938 0.55632 1.0000 + Si Si284 1.0 0.68229 0.39063 0.55632 1.0000 + Si Si285 1.0 0.65104 0.42188 0.55632 1.0000 + Si Si286 1.0 0.61979 0.45313 0.55632 1.0000 + Si Si287 1.0 0.58854 0.48438 0.55632 1.0000 + Si Si288 1.0 0.55729 0.51563 0.55632 1.0000 + Si Si289 1.0 0.05729 0.07813 0.55632 1.0000 + Si Si290 1.0 0.02604 0.10938 0.55632 1.0000 + Si Si291 1.0 0.99479 0.14063 0.55632 1.0000 + Si Si292 1.0 0.96354 0.17188 0.55632 1.0000 + Si Si293 1.0 0.93229 0.20313 0.55632 1.0000 + Si Si294 1.0 0.90104 0.23438 0.55632 1.0000 + Si Si295 1.0 0.86979 0.26563 0.55632 1.0000 + Si Si296 1.0 0.83854 0.29688 0.55632 1.0000 + Si Si297 1.0 0.80729 0.32813 0.55632 1.0000 + Si Si298 1.0 0.77604 0.35938 0.55632 1.0000 + Si Si299 1.0 0.74479 0.39063 0.55632 1.0000 + Si Si300 1.0 0.71354 0.42188 0.55632 1.0000 + Si Si301 1.0 0.68229 0.45313 0.55632 1.0000 + Si Si302 1.0 0.65104 0.48438 0.55632 1.0000 + Si Si303 1.0 0.61979 0.51563 0.55632 1.0000 + Si Si304 1.0 0.58854 0.54688 0.55632 1.0000 + Si Si305 1.0 0.08854 0.10938 0.55632 1.0000 + Si Si306 1.0 0.05729 0.14063 0.55632 1.0000 + Si Si307 1.0 0.02604 0.17188 0.55632 1.0000 + Si Si308 1.0 0.99479 0.20313 0.55632 1.0000 + Si Si309 1.0 0.96354 0.23438 0.55632 1.0000 + Si Si310 1.0 0.93229 0.26563 0.55632 1.0000 + Si Si311 1.0 0.90104 0.29688 0.55632 1.0000 + Si Si312 1.0 0.86979 0.32813 0.55632 1.0000 + Si Si313 1.0 0.83854 0.35938 0.55632 1.0000 + Si Si314 1.0 0.80729 0.39063 0.55632 1.0000 + Si Si315 1.0 0.77604 0.42188 0.55632 1.0000 + Si Si316 1.0 0.74479 0.45313 0.55632 1.0000 + Si Si317 1.0 0.71354 0.48438 0.55632 1.0000 + Si Si318 1.0 0.68229 0.51563 0.55632 1.0000 + Si Si319 1.0 0.65104 0.54688 0.55632 1.0000 + Si Si320 1.0 0.61979 0.57813 0.55632 1.0000 + Si Si321 1.0 0.11979 0.14063 0.55632 1.0000 + Si Si322 1.0 0.08854 0.17188 0.55632 1.0000 + Si Si323 1.0 0.05729 0.20313 0.55632 1.0000 + Si Si324 1.0 0.02604 0.23438 0.55632 1.0000 + Si Si325 1.0 0.99479 0.26563 0.55632 1.0000 + Si Si326 1.0 0.96354 0.29688 0.55632 1.0000 + Si Si327 1.0 0.93229 0.32813 0.55632 1.0000 + Si Si328 1.0 0.90104 0.35938 0.55632 1.0000 + Si Si329 1.0 0.86979 0.39063 0.55632 1.0000 + Si Si330 1.0 0.83854 0.42188 0.55632 1.0000 + Si Si331 1.0 0.80729 0.45313 0.55632 1.0000 + Si Si332 1.0 0.77604 0.48438 0.55632 1.0000 + Si Si333 1.0 0.74479 0.51563 0.55632 1.0000 + Si Si334 1.0 0.71354 0.54688 0.55632 1.0000 + Si Si335 1.0 0.68229 0.57813 0.55632 1.0000 + Si Si336 1.0 0.65104 0.60938 0.55632 1.0000 + Si Si337 1.0 0.15104 0.17188 0.55632 1.0000 + Si Si338 1.0 0.11979 0.20313 0.55632 1.0000 + Si Si339 1.0 0.08854 0.23438 0.55632 1.0000 + Si Si340 1.0 0.05729 0.26563 0.55632 1.0000 + Si Si341 1.0 0.02604 0.29688 0.55632 1.0000 + Si Si342 1.0 0.99479 0.32813 0.55632 1.0000 + Si Si343 1.0 0.96354 0.35938 0.55632 1.0000 + Si Si344 1.0 0.93229 0.39063 0.55632 1.0000 + Si Si345 1.0 0.90104 0.42188 0.55632 1.0000 + Si Si346 1.0 0.86979 0.45313 0.55632 1.0000 + Si Si347 1.0 0.83854 0.48438 0.55632 1.0000 + Si Si348 1.0 0.80729 0.51563 0.55632 1.0000 + Si Si349 1.0 0.77604 0.54688 0.55632 1.0000 + Si Si350 1.0 0.74479 0.57813 0.55632 1.0000 + Si Si351 1.0 0.71354 0.60938 0.55632 1.0000 + Si Si352 1.0 0.68229 0.64063 0.55632 1.0000 + Si Si353 1.0 0.18229 0.20313 0.55632 1.0000 + Si Si354 1.0 0.15104 0.23438 0.55632 1.0000 + Si Si355 1.0 0.11979 0.26563 0.55632 1.0000 + Si Si356 1.0 0.08854 0.29688 0.55632 1.0000 + Si Si357 1.0 0.05729 0.32813 0.55632 1.0000 + Si Si358 1.0 0.02604 0.35938 0.55632 1.0000 + Si Si359 1.0 0.99479 0.39063 0.55632 1.0000 + Si Si360 1.0 0.96354 0.42188 0.55632 1.0000 + Si Si361 1.0 0.93229 0.45313 0.55632 1.0000 + Si Si362 1.0 0.90104 0.48438 0.55632 1.0000 + Si Si363 1.0 0.86979 0.51563 0.55632 1.0000 + Si Si364 1.0 0.83854 0.54688 0.55632 1.0000 + Si Si365 1.0 0.80729 0.57813 0.55632 1.0000 + Si Si366 1.0 0.77604 0.60938 0.55632 1.0000 + Si Si367 1.0 0.74479 0.64063 0.55632 1.0000 + Si Si368 1.0 0.71354 0.67188 0.55632 1.0000 + Si Si369 1.0 0.21354 0.23438 0.55632 1.0000 + Si Si370 1.0 0.18229 0.26563 0.55632 1.0000 + Si Si371 1.0 0.15104 0.29688 0.55632 1.0000 + Si Si372 1.0 0.11979 0.32813 0.55632 1.0000 + Si Si373 1.0 0.08854 0.35938 0.55632 1.0000 + Si Si374 1.0 0.05729 0.39063 0.55632 1.0000 + Si Si375 1.0 0.02604 0.42188 0.55632 1.0000 + Si Si376 1.0 0.99479 0.45313 0.55632 1.0000 + Si Si377 1.0 0.96354 0.48438 0.55632 1.0000 + Si Si378 1.0 0.93229 0.51563 0.55632 1.0000 + Si Si379 1.0 0.90104 0.54688 0.55632 1.0000 + Si Si380 1.0 0.86979 0.57813 0.55632 1.0000 + Si Si381 1.0 0.83854 0.60938 0.55632 1.0000 + Si Si382 1.0 0.80729 0.64063 0.55632 1.0000 + Si Si383 1.0 0.77604 0.67188 0.55632 1.0000 + Si Si384 1.0 0.74479 0.70313 0.55632 1.0000 + Si Si385 1.0 0.24479 0.26563 0.55632 1.0000 + Si Si386 1.0 0.21354 0.29688 0.55632 1.0000 + Si Si387 1.0 0.18229 0.32813 0.55632 1.0000 + Si Si388 1.0 0.15104 0.35938 0.55632 1.0000 + Si Si389 1.0 0.11979 0.39063 0.55632 1.0000 + Si Si390 1.0 0.08854 0.42188 0.55632 1.0000 + Si Si391 1.0 0.05729 0.45313 0.55632 1.0000 + Si Si392 1.0 0.02604 0.48438 0.55632 1.0000 + Si Si393 1.0 0.99479 0.51563 0.55632 1.0000 + Si Si394 1.0 0.96354 0.54688 0.55632 1.0000 + Si Si395 1.0 0.93229 0.57813 0.55632 1.0000 + Si Si396 1.0 0.90104 0.60938 0.55632 1.0000 + Si Si397 1.0 0.86979 0.64063 0.55632 1.0000 + Si Si398 1.0 0.83854 0.67188 0.55632 1.0000 + Si Si399 1.0 0.80729 0.70313 0.55632 1.0000 + Si Si400 1.0 0.77604 0.73438 0.55632 1.0000 + Si Si401 1.0 0.27604 0.29688 0.55632 1.0000 + Si Si402 1.0 0.24479 0.32813 0.55632 1.0000 + Si Si403 1.0 0.21354 0.35938 0.55632 1.0000 + Si Si404 1.0 0.18229 0.39063 0.55632 1.0000 + Si Si405 1.0 0.15104 0.42188 0.55632 1.0000 + Si Si406 1.0 0.11979 0.45313 0.55632 1.0000 + Si Si407 1.0 0.08854 0.48438 0.55632 1.0000 + Si Si408 1.0 0.05729 0.51563 0.55632 1.0000 + Si Si409 1.0 0.02604 0.54688 0.55632 1.0000 + Si Si410 1.0 0.99479 0.57813 0.55632 1.0000 + Si Si411 1.0 0.96354 0.60938 0.55632 1.0000 + Si Si412 1.0 0.93229 0.64063 0.55632 1.0000 + Si Si413 1.0 0.90104 0.67188 0.55632 1.0000 + Si Si414 1.0 0.86979 0.70313 0.55632 1.0000 + Si Si415 1.0 0.83854 0.73438 0.55632 1.0000 + Si Si416 1.0 0.80729 0.76563 0.55632 1.0000 + Si Si417 1.0 0.30729 0.32813 0.55632 1.0000 + Si Si418 1.0 0.27604 0.35938 0.55632 1.0000 + Si Si419 1.0 0.24479 0.39063 0.55632 1.0000 + Si Si420 1.0 0.21354 0.42188 0.55632 1.0000 + Si Si421 1.0 0.18229 0.45313 0.55632 1.0000 + Si Si422 1.0 0.15104 0.48438 0.55632 1.0000 + Si Si423 1.0 0.11979 0.51563 0.55632 1.0000 + Si Si424 1.0 0.08854 0.54688 0.55632 1.0000 + Si Si425 1.0 0.05729 0.57813 0.55632 1.0000 + Si Si426 1.0 0.02604 0.60938 0.55632 1.0000 + Si Si427 1.0 0.99479 0.64063 0.55632 1.0000 + Si Si428 1.0 0.96354 0.67188 0.55632 1.0000 + Si Si429 1.0 0.93229 0.70313 0.55632 1.0000 + Si Si430 1.0 0.90104 0.73438 0.55632 1.0000 + Si Si431 1.0 0.86979 0.76563 0.55632 1.0000 + Si Si432 1.0 0.83854 0.79688 0.55632 1.0000 + Si Si433 1.0 0.33854 0.35938 0.55632 1.0000 + Si Si434 1.0 0.30729 0.39063 0.55632 1.0000 + Si Si435 1.0 0.27604 0.42188 0.55632 1.0000 + Si Si436 1.0 0.24479 0.45313 0.55632 1.0000 + Si Si437 1.0 0.21354 0.48438 0.55632 1.0000 + Si Si438 1.0 0.18229 0.51563 0.55632 1.0000 + Si Si439 1.0 0.15104 0.54688 0.55632 1.0000 + Si Si440 1.0 0.11979 0.57813 0.55632 1.0000 + Si Si441 1.0 0.08854 0.60938 0.55632 1.0000 + Si Si442 1.0 0.05729 0.64063 0.55632 1.0000 + Si Si443 1.0 0.02604 0.67188 0.55632 1.0000 + Si Si444 1.0 0.99479 0.70313 0.55632 1.0000 + Si Si445 1.0 0.96354 0.73438 0.55632 1.0000 + Si Si446 1.0 0.93229 0.76563 0.55632 1.0000 + Si Si447 1.0 0.90104 0.79688 0.55632 1.0000 + Si Si448 1.0 0.86979 0.82813 0.55632 1.0000 + Si Si449 1.0 0.36979 0.39063 0.55632 1.0000 + Si Si450 1.0 0.33854 0.42188 0.55632 1.0000 + Si Si451 1.0 0.30729 0.45313 0.55632 1.0000 + Si Si452 1.0 0.27604 0.48438 0.55632 1.0000 + Si Si453 1.0 0.24479 0.51563 0.55632 1.0000 + Si Si454 1.0 0.21354 0.54688 0.55632 1.0000 + Si Si455 1.0 0.18229 0.57813 0.55632 1.0000 + Si Si456 1.0 0.15104 0.60938 0.55632 1.0000 + Si Si457 1.0 0.11979 0.64063 0.55632 1.0000 + Si Si458 1.0 0.08854 0.67188 0.55632 1.0000 + Si Si459 1.0 0.05729 0.70313 0.55632 1.0000 + Si Si460 1.0 0.02604 0.73438 0.55632 1.0000 + Si Si461 1.0 0.99479 0.76563 0.55632 1.0000 + Si Si462 1.0 0.96354 0.79688 0.55632 1.0000 + Si Si463 1.0 0.93229 0.82813 0.55632 1.0000 + Si Si464 1.0 0.90104 0.85938 0.55632 1.0000 + Si Si465 1.0 0.40104 0.42188 0.55632 1.0000 + Si Si466 1.0 0.36979 0.45313 0.55632 1.0000 + Si Si467 1.0 0.33854 0.48438 0.55632 1.0000 + Si Si468 1.0 0.30729 0.51563 0.55632 1.0000 + Si Si469 1.0 0.27604 0.54688 0.55632 1.0000 + Si Si470 1.0 0.24479 0.57813 0.55632 1.0000 + Si Si471 1.0 0.21354 0.60938 0.55632 1.0000 + Si Si472 1.0 0.18229 0.64063 0.55632 1.0000 + Si Si473 1.0 0.15104 0.67188 0.55632 1.0000 + Si Si474 1.0 0.11979 0.70313 0.55632 1.0000 + Si Si475 1.0 0.08854 0.73438 0.55632 1.0000 + Si Si476 1.0 0.05729 0.76563 0.55632 1.0000 + Si Si477 1.0 0.02604 0.79688 0.55632 1.0000 + Si Si478 1.0 0.99479 0.82813 0.55632 1.0000 + Si Si479 1.0 0.96354 0.85938 0.55632 1.0000 + Si Si480 1.0 0.93229 0.89063 0.55632 1.0000 + Si Si481 1.0 0.43229 0.45313 0.55632 1.0000 + Si Si482 1.0 0.40104 0.48438 0.55632 1.0000 + Si Si483 1.0 0.36979 0.51563 0.55632 1.0000 + Si Si484 1.0 0.33854 0.54688 0.55632 1.0000 + Si Si485 1.0 0.30729 0.57813 0.55632 1.0000 + Si Si486 1.0 0.27604 0.60938 0.55632 1.0000 + Si Si487 1.0 0.24479 0.64063 0.55632 1.0000 + Si Si488 1.0 0.21354 0.67188 0.55632 1.0000 + Si Si489 1.0 0.18229 0.70313 0.55632 1.0000 + Si Si490 1.0 0.15104 0.73438 0.55632 1.0000 + Si Si491 1.0 0.11979 0.76563 0.55632 1.0000 + Si Si492 1.0 0.08854 0.79688 0.55632 1.0000 + Si Si493 1.0 0.05729 0.82813 0.55632 1.0000 + Si Si494 1.0 0.02604 0.85938 0.55632 1.0000 + Si Si495 1.0 0.99479 0.89063 0.55632 1.0000 + Si Si496 1.0 0.96354 0.92188 0.55632 1.0000 + Si Si497 1.0 0.46354 0.48438 0.55632 1.0000 + Si Si498 1.0 0.43229 0.51563 0.55632 1.0000 + Si Si499 1.0 0.40104 0.54688 0.55632 1.0000 + Si Si500 1.0 0.36979 0.57813 0.55632 1.0000 + Si Si501 1.0 0.33854 0.60938 0.55632 1.0000 + Si Si502 1.0 0.30729 0.64063 0.55632 1.0000 + Si Si503 1.0 0.27604 0.67188 0.55632 1.0000 + Si Si504 1.0 0.24479 0.70313 0.55632 1.0000 + Si Si505 1.0 0.21354 0.73438 0.55632 1.0000 + Si Si506 1.0 0.18229 0.76563 0.55632 1.0000 + Si Si507 1.0 0.15104 0.79688 0.55632 1.0000 + Si Si508 1.0 0.11979 0.82813 0.55632 1.0000 + Si Si509 1.0 0.08854 0.85938 0.55632 1.0000 + Si Si510 1.0 0.05729 0.89063 0.55632 1.0000 + Si Si511 1.0 0.02604 0.92188 0.55632 1.0000 + Si Si512 1.0 0.99479 0.95313 0.55632 1.0000 + Si Si513 1.0 0.50521 0.54687 0.44368 1.0000 + Si Si514 1.0 0.47396 0.57812 0.44368 1.0000 + Si Si515 1.0 0.44271 0.60937 0.44368 1.0000 + Si Si516 1.0 0.41146 0.64062 0.44368 1.0000 + Si Si517 1.0 0.38021 0.67187 0.44368 1.0000 + Si Si518 1.0 0.34896 0.70312 0.44368 1.0000 + Si Si519 1.0 0.31771 0.73437 0.44368 1.0000 + Si Si520 1.0 0.28646 0.76562 0.44368 1.0000 + Si Si521 1.0 0.25521 0.79687 0.44368 1.0000 + Si Si522 1.0 0.22396 0.82812 0.44368 1.0000 + Si Si523 1.0 0.19271 0.85937 0.44368 1.0000 + Si Si524 1.0 0.16146 0.89062 0.44368 1.0000 + Si Si525 1.0 0.13021 0.92187 0.44368 1.0000 + Si Si526 1.0 0.09896 0.95312 0.44368 1.0000 + Si Si527 1.0 0.06771 0.98437 0.44368 1.0000 + Si Si528 1.0 0.03646 0.01562 0.44368 1.0000 + Si Si529 1.0 0.53646 0.57812 0.44368 1.0000 + Si Si530 1.0 0.50521 0.60937 0.44368 1.0000 + Si Si531 1.0 0.47396 0.64062 0.44368 1.0000 + Si Si532 1.0 0.44271 0.67187 0.44368 1.0000 + Si Si533 1.0 0.41146 0.70312 0.44368 1.0000 + Si Si534 1.0 0.38021 0.73437 0.44368 1.0000 + Si Si535 1.0 0.34896 0.76562 0.44368 1.0000 + Si Si536 1.0 0.31771 0.79687 0.44368 1.0000 + Si Si537 1.0 0.28646 0.82812 0.44368 1.0000 + Si Si538 1.0 0.25521 0.85937 0.44368 1.0000 + Si Si539 1.0 0.22396 0.89062 0.44368 1.0000 + Si Si540 1.0 0.19271 0.92187 0.44368 1.0000 + Si Si541 1.0 0.16146 0.95312 0.44368 1.0000 + Si Si542 1.0 0.13021 0.98437 0.44368 1.0000 + Si Si543 1.0 0.09896 0.01562 0.44368 1.0000 + Si Si544 1.0 0.06771 0.04687 0.44368 1.0000 + Si Si545 1.0 0.56771 0.60937 0.44368 1.0000 + Si Si546 1.0 0.53646 0.64062 0.44368 1.0000 + Si Si547 1.0 0.50521 0.67187 0.44368 1.0000 + Si Si548 1.0 0.47396 0.70312 0.44368 1.0000 + Si Si549 1.0 0.44271 0.73437 0.44368 1.0000 + Si Si550 1.0 0.41146 0.76562 0.44368 1.0000 + Si Si551 1.0 0.38021 0.79687 0.44368 1.0000 + Si Si552 1.0 0.34896 0.82812 0.44368 1.0000 + Si Si553 1.0 0.31771 0.85937 0.44368 1.0000 + Si Si554 1.0 0.28646 0.89062 0.44368 1.0000 + Si Si555 1.0 0.25521 0.92187 0.44368 1.0000 + Si Si556 1.0 0.22396 0.95312 0.44368 1.0000 + Si Si557 1.0 0.19271 0.98437 0.44368 1.0000 + Si Si558 1.0 0.16146 0.01562 0.44368 1.0000 + Si Si559 1.0 0.13021 0.04687 0.44368 1.0000 + Si Si560 1.0 0.09896 0.07812 0.44368 1.0000 + Si Si561 1.0 0.59896 0.64062 0.44368 1.0000 + Si Si562 1.0 0.56771 0.67187 0.44368 1.0000 + Si Si563 1.0 0.53646 0.70312 0.44368 1.0000 + Si Si564 1.0 0.50521 0.73437 0.44368 1.0000 + Si Si565 1.0 0.47396 0.76562 0.44368 1.0000 + Si Si566 1.0 0.44271 0.79687 0.44368 1.0000 + Si Si567 1.0 0.41146 0.82812 0.44368 1.0000 + Si Si568 1.0 0.38021 0.85937 0.44368 1.0000 + Si Si569 1.0 0.34896 0.89062 0.44368 1.0000 + Si Si570 1.0 0.31771 0.92187 0.44368 1.0000 + Si Si571 1.0 0.28646 0.95312 0.44368 1.0000 + Si Si572 1.0 0.25521 0.98437 0.44368 1.0000 + Si Si573 1.0 0.22396 0.01562 0.44368 1.0000 + Si Si574 1.0 0.19271 0.04687 0.44368 1.0000 + Si Si575 1.0 0.16146 0.07812 0.44368 1.0000 + Si Si576 1.0 0.13021 0.10937 0.44368 1.0000 + Si Si577 1.0 0.63021 0.67187 0.44368 1.0000 + Si Si578 1.0 0.59896 0.70312 0.44368 1.0000 + Si Si579 1.0 0.56771 0.73437 0.44368 1.0000 + Si Si580 1.0 0.53646 0.76562 0.44368 1.0000 + Si Si581 1.0 0.50521 0.79687 0.44368 1.0000 + Si Si582 1.0 0.47396 0.82812 0.44368 1.0000 + Si Si583 1.0 0.44271 0.85937 0.44368 1.0000 + Si Si584 1.0 0.41146 0.89062 0.44368 1.0000 + Si Si585 1.0 0.38021 0.92187 0.44368 1.0000 + Si Si586 1.0 0.34896 0.95312 0.44368 1.0000 + Si Si587 1.0 0.31771 0.98437 0.44368 1.0000 + Si Si588 1.0 0.28646 0.01562 0.44368 1.0000 + Si Si589 1.0 0.25521 0.04687 0.44368 1.0000 + Si Si590 1.0 0.22396 0.07812 0.44368 1.0000 + Si Si591 1.0 0.19271 0.10937 0.44368 1.0000 + Si Si592 1.0 0.16146 0.14062 0.44368 1.0000 + Si Si593 1.0 0.66146 0.70312 0.44368 1.0000 + Si Si594 1.0 0.63021 0.73437 0.44368 1.0000 + Si Si595 1.0 0.59896 0.76562 0.44368 1.0000 + Si Si596 1.0 0.56771 0.79687 0.44368 1.0000 + Si Si597 1.0 0.53646 0.82812 0.44368 1.0000 + Si Si598 1.0 0.50521 0.85937 0.44368 1.0000 + Si Si599 1.0 0.47396 0.89062 0.44368 1.0000 + Si Si600 1.0 0.44271 0.92187 0.44368 1.0000 + Si Si601 1.0 0.41146 0.95312 0.44368 1.0000 + Si Si602 1.0 0.38021 0.98437 0.44368 1.0000 + Si Si603 1.0 0.34896 0.01562 0.44368 1.0000 + Si Si604 1.0 0.31771 0.04687 0.44368 1.0000 + Si Si605 1.0 0.28646 0.07812 0.44368 1.0000 + Si Si606 1.0 0.25521 0.10937 0.44368 1.0000 + Si Si607 1.0 0.22396 0.14062 0.44368 1.0000 + Si Si608 1.0 0.19271 0.17187 0.44368 1.0000 + Si Si609 1.0 0.69271 0.73437 0.44368 1.0000 + Si Si610 1.0 0.66146 0.76562 0.44368 1.0000 + Si Si611 1.0 0.63021 0.79687 0.44368 1.0000 + Si Si612 1.0 0.59896 0.82812 0.44368 1.0000 + Si Si613 1.0 0.56771 0.85937 0.44368 1.0000 + Si Si614 1.0 0.53646 0.89062 0.44368 1.0000 + Si Si615 1.0 0.50521 0.92187 0.44368 1.0000 + Si Si616 1.0 0.47396 0.95312 0.44368 1.0000 + Si Si617 1.0 0.44271 0.98437 0.44368 1.0000 + Si Si618 1.0 0.41146 0.01562 0.44368 1.0000 + Si Si619 1.0 0.38021 0.04687 0.44368 1.0000 + Si Si620 1.0 0.34896 0.07812 0.44368 1.0000 + Si Si621 1.0 0.31771 0.10937 0.44368 1.0000 + Si Si622 1.0 0.28646 0.14062 0.44368 1.0000 + Si Si623 1.0 0.25521 0.17187 0.44368 1.0000 + Si Si624 1.0 0.22396 0.20312 0.44368 1.0000 + Si Si625 1.0 0.72396 0.76562 0.44368 1.0000 + Si Si626 1.0 0.69271 0.79687 0.44368 1.0000 + Si Si627 1.0 0.66146 0.82812 0.44368 1.0000 + Si Si628 1.0 0.63021 0.85937 0.44368 1.0000 + Si Si629 1.0 0.59896 0.89062 0.44368 1.0000 + Si Si630 1.0 0.56771 0.92187 0.44368 1.0000 + Si Si631 1.0 0.53646 0.95312 0.44368 1.0000 + Si Si632 1.0 0.50521 0.98437 0.44368 1.0000 + Si Si633 1.0 0.47396 0.01562 0.44368 1.0000 + Si Si634 1.0 0.44271 0.04687 0.44368 1.0000 + Si Si635 1.0 0.41146 0.07812 0.44368 1.0000 + Si Si636 1.0 0.38021 0.10937 0.44368 1.0000 + Si Si637 1.0 0.34896 0.14062 0.44368 1.0000 + Si Si638 1.0 0.31771 0.17187 0.44368 1.0000 + Si Si639 1.0 0.28646 0.20312 0.44368 1.0000 + Si Si640 1.0 0.25521 0.23437 0.44368 1.0000 + Si Si641 1.0 0.75521 0.79687 0.44368 1.0000 + Si Si642 1.0 0.72396 0.82812 0.44368 1.0000 + Si Si643 1.0 0.69271 0.85937 0.44368 1.0000 + Si Si644 1.0 0.66146 0.89062 0.44368 1.0000 + Si Si645 1.0 0.63021 0.92187 0.44368 1.0000 + Si Si646 1.0 0.59896 0.95312 0.44368 1.0000 + Si Si647 1.0 0.56771 0.98437 0.44368 1.0000 + Si Si648 1.0 0.53646 0.01562 0.44368 1.0000 + Si Si649 1.0 0.50521 0.04687 0.44368 1.0000 + Si Si650 1.0 0.47396 0.07812 0.44368 1.0000 + Si Si651 1.0 0.44271 0.10937 0.44368 1.0000 + Si Si652 1.0 0.41146 0.14062 0.44368 1.0000 + Si Si653 1.0 0.38021 0.17187 0.44368 1.0000 + Si Si654 1.0 0.34896 0.20312 0.44368 1.0000 + Si Si655 1.0 0.31771 0.23437 0.44368 1.0000 + Si Si656 1.0 0.28646 0.26562 0.44368 1.0000 + Si Si657 1.0 0.78646 0.82812 0.44368 1.0000 + Si Si658 1.0 0.75521 0.85937 0.44368 1.0000 + Si Si659 1.0 0.72396 0.89062 0.44368 1.0000 + Si Si660 1.0 0.69271 0.92187 0.44368 1.0000 + Si Si661 1.0 0.66146 0.95312 0.44368 1.0000 + Si Si662 1.0 0.63021 0.98437 0.44368 1.0000 + Si Si663 1.0 0.59896 0.01562 0.44368 1.0000 + Si Si664 1.0 0.56771 0.04687 0.44368 1.0000 + Si Si665 1.0 0.53646 0.07812 0.44368 1.0000 + Si Si666 1.0 0.50521 0.10937 0.44368 1.0000 + Si Si667 1.0 0.47396 0.14062 0.44368 1.0000 + Si Si668 1.0 0.44271 0.17187 0.44368 1.0000 + Si Si669 1.0 0.41146 0.20312 0.44368 1.0000 + Si Si670 1.0 0.38021 0.23437 0.44368 1.0000 + Si Si671 1.0 0.34896 0.26562 0.44368 1.0000 + Si Si672 1.0 0.31771 0.29687 0.44368 1.0000 + Si Si673 1.0 0.81771 0.85937 0.44368 1.0000 + Si Si674 1.0 0.78646 0.89062 0.44368 1.0000 + Si Si675 1.0 0.75521 0.92187 0.44368 1.0000 + Si Si676 1.0 0.72396 0.95312 0.44368 1.0000 + Si Si677 1.0 0.69271 0.98437 0.44368 1.0000 + Si Si678 1.0 0.66146 0.01562 0.44368 1.0000 + Si Si679 1.0 0.63021 0.04687 0.44368 1.0000 + Si Si680 1.0 0.59896 0.07812 0.44368 1.0000 + Si Si681 1.0 0.56771 0.10937 0.44368 1.0000 + Si Si682 1.0 0.53646 0.14062 0.44368 1.0000 + Si Si683 1.0 0.50521 0.17187 0.44368 1.0000 + Si Si684 1.0 0.47396 0.20312 0.44368 1.0000 + Si Si685 1.0 0.44271 0.23437 0.44368 1.0000 + Si Si686 1.0 0.41146 0.26562 0.44368 1.0000 + Si Si687 1.0 0.38021 0.29687 0.44368 1.0000 + Si Si688 1.0 0.34896 0.32812 0.44368 1.0000 + Si Si689 1.0 0.84896 0.89062 0.44368 1.0000 + Si Si690 1.0 0.81771 0.92187 0.44368 1.0000 + Si Si691 1.0 0.78646 0.95312 0.44368 1.0000 + Si Si692 1.0 0.75521 0.98437 0.44368 1.0000 + Si Si693 1.0 0.72396 0.01562 0.44368 1.0000 + Si Si694 1.0 0.69271 0.04687 0.44368 1.0000 + Si Si695 1.0 0.66146 0.07812 0.44368 1.0000 + Si Si696 1.0 0.63021 0.10937 0.44368 1.0000 + Si Si697 1.0 0.59896 0.14062 0.44368 1.0000 + Si Si698 1.0 0.56771 0.17187 0.44368 1.0000 + Si Si699 1.0 0.53646 0.20312 0.44368 1.0000 + Si Si700 1.0 0.50521 0.23437 0.44368 1.0000 + Si Si701 1.0 0.47396 0.26562 0.44368 1.0000 + Si Si702 1.0 0.44271 0.29687 0.44368 1.0000 + Si Si703 1.0 0.41146 0.32812 0.44368 1.0000 + Si Si704 1.0 0.38021 0.35937 0.44368 1.0000 + Si Si705 1.0 0.88021 0.92187 0.44368 1.0000 + Si Si706 1.0 0.84896 0.95312 0.44368 1.0000 + Si Si707 1.0 0.81771 0.98437 0.44368 1.0000 + Si Si708 1.0 0.78646 0.01562 0.44368 1.0000 + Si Si709 1.0 0.75521 0.04687 0.44368 1.0000 + Si Si710 1.0 0.72396 0.07812 0.44368 1.0000 + Si Si711 1.0 0.69271 0.10937 0.44368 1.0000 + Si Si712 1.0 0.66146 0.14062 0.44368 1.0000 + Si Si713 1.0 0.63021 0.17187 0.44368 1.0000 + Si Si714 1.0 0.59896 0.20312 0.44368 1.0000 + Si Si715 1.0 0.56771 0.23437 0.44368 1.0000 + Si Si716 1.0 0.53646 0.26562 0.44368 1.0000 + Si Si717 1.0 0.50521 0.29687 0.44368 1.0000 + Si Si718 1.0 0.47396 0.32812 0.44368 1.0000 + Si Si719 1.0 0.44271 0.35937 0.44368 1.0000 + Si Si720 1.0 0.41146 0.39062 0.44368 1.0000 + Si Si721 1.0 0.91146 0.95312 0.44368 1.0000 + Si Si722 1.0 0.88021 0.98437 0.44368 1.0000 + Si Si723 1.0 0.84896 0.01562 0.44368 1.0000 + Si Si724 1.0 0.81771 0.04687 0.44368 1.0000 + Si Si725 1.0 0.78646 0.07812 0.44368 1.0000 + Si Si726 1.0 0.75521 0.10937 0.44368 1.0000 + Si Si727 1.0 0.72396 0.14062 0.44368 1.0000 + Si Si728 1.0 0.69271 0.17187 0.44368 1.0000 + Si Si729 1.0 0.66146 0.20312 0.44368 1.0000 + Si Si730 1.0 0.63021 0.23437 0.44368 1.0000 + Si Si731 1.0 0.59896 0.26562 0.44368 1.0000 + Si Si732 1.0 0.56771 0.29687 0.44368 1.0000 + Si Si733 1.0 0.53646 0.32812 0.44368 1.0000 + Si Si734 1.0 0.50521 0.35937 0.44368 1.0000 + Si Si735 1.0 0.47396 0.39062 0.44368 1.0000 + Si Si736 1.0 0.44271 0.42187 0.44368 1.0000 + Si Si737 1.0 0.94271 0.98437 0.44368 1.0000 + Si Si738 1.0 0.91146 0.01562 0.44368 1.0000 + Si Si739 1.0 0.88021 0.04687 0.44368 1.0000 + Si Si740 1.0 0.84896 0.07812 0.44368 1.0000 + Si Si741 1.0 0.81771 0.10937 0.44368 1.0000 + Si Si742 1.0 0.78646 0.14062 0.44368 1.0000 + Si Si743 1.0 0.75521 0.17187 0.44368 1.0000 + Si Si744 1.0 0.72396 0.20312 0.44368 1.0000 + Si Si745 1.0 0.69271 0.23437 0.44368 1.0000 + Si Si746 1.0 0.66146 0.26562 0.44368 1.0000 + Si Si747 1.0 0.63021 0.29687 0.44368 1.0000 + Si Si748 1.0 0.59896 0.32812 0.44368 1.0000 + Si Si749 1.0 0.56771 0.35937 0.44368 1.0000 + Si Si750 1.0 0.53646 0.39062 0.44368 1.0000 + Si Si751 1.0 0.50521 0.42187 0.44368 1.0000 + Si Si752 1.0 0.47396 0.45312 0.44368 1.0000 + Si Si753 1.0 0.97396 0.01562 0.44368 1.0000 + Si Si754 1.0 0.94271 0.04687 0.44368 1.0000 + Si Si755 1.0 0.91146 0.07812 0.44368 1.0000 + Si Si756 1.0 0.88021 0.10937 0.44368 1.0000 + Si Si757 1.0 0.84896 0.14062 0.44368 1.0000 + Si Si758 1.0 0.81771 0.17187 0.44368 1.0000 + Si Si759 1.0 0.78646 0.20312 0.44368 1.0000 + Si Si760 1.0 0.75521 0.23437 0.44368 1.0000 + Si Si761 1.0 0.72396 0.26562 0.44368 1.0000 + Si Si762 1.0 0.69271 0.29687 0.44368 1.0000 + Si Si763 1.0 0.66146 0.32812 0.44368 1.0000 + Si Si764 1.0 0.63021 0.35937 0.44368 1.0000 + Si Si765 1.0 0.59896 0.39062 0.44368 1.0000 + Si Si766 1.0 0.56771 0.42187 0.44368 1.0000 + Si Si767 1.0 0.53646 0.45312 0.44368 1.0000 + Si Si768 1.0 0.50521 0.48437 0.44368 1.0000 + Si Si769 1.0 0.49479 0.51563 0.55632 1.0000 + Si Si770 1.0 0.46354 0.54688 0.55632 1.0000 + Si Si771 1.0 0.43229 0.57813 0.55632 1.0000 + Si Si772 1.0 0.40104 0.60938 0.55632 1.0000 + Si Si773 1.0 0.36979 0.64063 0.55632 1.0000 + Si Si774 1.0 0.33854 0.67188 0.55632 1.0000 + Si Si775 1.0 0.30729 0.70313 0.55632 1.0000 + Si Si776 1.0 0.27604 0.73438 0.55632 1.0000 + Si Si777 1.0 0.24479 0.76563 0.55632 1.0000 + Si Si778 1.0 0.21354 0.79688 0.55632 1.0000 + Si Si779 1.0 0.18229 0.82813 0.55632 1.0000 + Si Si780 1.0 0.15104 0.85938 0.55632 1.0000 + Si Si781 1.0 0.11979 0.89063 0.55632 1.0000 + Si Si782 1.0 0.08854 0.92188 0.55632 1.0000 + Si Si783 1.0 0.05729 0.95313 0.55632 1.0000 + Si Si784 1.0 0.02604 0.98438 0.55632 1.0000 + Si Si785 1.0 0.52604 0.54688 0.55632 1.0000 + Si Si786 1.0 0.49479 0.57813 0.55632 1.0000 + Si Si787 1.0 0.46354 0.60938 0.55632 1.0000 + Si Si788 1.0 0.43229 0.64063 0.55632 1.0000 + Si Si789 1.0 0.40104 0.67188 0.55632 1.0000 + Si Si790 1.0 0.36979 0.70313 0.55632 1.0000 + Si Si791 1.0 0.33854 0.73438 0.55632 1.0000 + Si Si792 1.0 0.30729 0.76563 0.55632 1.0000 + Si Si793 1.0 0.27604 0.79688 0.55632 1.0000 + Si Si794 1.0 0.24479 0.82813 0.55632 1.0000 + Si Si795 1.0 0.21354 0.85938 0.55632 1.0000 + Si Si796 1.0 0.18229 0.89063 0.55632 1.0000 + Si Si797 1.0 0.15104 0.92188 0.55632 1.0000 + Si Si798 1.0 0.11979 0.95313 0.55632 1.0000 + Si Si799 1.0 0.08854 0.98438 0.55632 1.0000 + Si Si800 1.0 0.05729 0.01563 0.55632 1.0000 + Si Si801 1.0 0.55729 0.57813 0.55632 1.0000 + Si Si802 1.0 0.52604 0.60938 0.55632 1.0000 + Si Si803 1.0 0.49479 0.64063 0.55632 1.0000 + Si Si804 1.0 0.46354 0.67188 0.55632 1.0000 + Si Si805 1.0 0.43229 0.70313 0.55632 1.0000 + Si Si806 1.0 0.40104 0.73438 0.55632 1.0000 + Si Si807 1.0 0.36979 0.76563 0.55632 1.0000 + Si Si808 1.0 0.33854 0.79688 0.55632 1.0000 + Si Si809 1.0 0.30729 0.82813 0.55632 1.0000 + Si Si810 1.0 0.27604 0.85938 0.55632 1.0000 + Si Si811 1.0 0.24479 0.89063 0.55632 1.0000 + Si Si812 1.0 0.21354 0.92188 0.55632 1.0000 + Si Si813 1.0 0.18229 0.95313 0.55632 1.0000 + Si Si814 1.0 0.15104 0.98438 0.55632 1.0000 + Si Si815 1.0 0.11979 0.01563 0.55632 1.0000 + Si Si816 1.0 0.08854 0.04688 0.55632 1.0000 + Si Si817 1.0 0.58854 0.60938 0.55632 1.0000 + Si Si818 1.0 0.55729 0.64063 0.55632 1.0000 + Si Si819 1.0 0.52604 0.67188 0.55632 1.0000 + Si Si820 1.0 0.49479 0.70313 0.55632 1.0000 + Si Si821 1.0 0.46354 0.73438 0.55632 1.0000 + Si Si822 1.0 0.43229 0.76563 0.55632 1.0000 + Si Si823 1.0 0.40104 0.79688 0.55632 1.0000 + Si Si824 1.0 0.36979 0.82813 0.55632 1.0000 + Si Si825 1.0 0.33854 0.85938 0.55632 1.0000 + Si Si826 1.0 0.30729 0.89063 0.55632 1.0000 + Si Si827 1.0 0.27604 0.92188 0.55632 1.0000 + Si Si828 1.0 0.24479 0.95313 0.55632 1.0000 + Si Si829 1.0 0.21354 0.98438 0.55632 1.0000 + Si Si830 1.0 0.18229 0.01563 0.55632 1.0000 + Si Si831 1.0 0.15104 0.04688 0.55632 1.0000 + Si Si832 1.0 0.11979 0.07813 0.55632 1.0000 + Si Si833 1.0 0.61979 0.64063 0.55632 1.0000 + Si Si834 1.0 0.58854 0.67188 0.55632 1.0000 + Si Si835 1.0 0.55729 0.70313 0.55632 1.0000 + Si Si836 1.0 0.52604 0.73438 0.55632 1.0000 + Si Si837 1.0 0.49479 0.76563 0.55632 1.0000 + Si Si838 1.0 0.46354 0.79688 0.55632 1.0000 + Si Si839 1.0 0.43229 0.82813 0.55632 1.0000 + Si Si840 1.0 0.40104 0.85938 0.55632 1.0000 + Si Si841 1.0 0.36979 0.89063 0.55632 1.0000 + Si Si842 1.0 0.33854 0.92188 0.55632 1.0000 + Si Si843 1.0 0.30729 0.95313 0.55632 1.0000 + Si Si844 1.0 0.27604 0.98438 0.55632 1.0000 + Si Si845 1.0 0.24479 0.01563 0.55632 1.0000 + Si Si846 1.0 0.21354 0.04688 0.55632 1.0000 + Si Si847 1.0 0.18229 0.07813 0.55632 1.0000 + Si Si848 1.0 0.15104 0.10938 0.55632 1.0000 + Si Si849 1.0 0.65104 0.67188 0.55632 1.0000 + Si Si850 1.0 0.61979 0.70313 0.55632 1.0000 + Si Si851 1.0 0.58854 0.73438 0.55632 1.0000 + Si Si852 1.0 0.55729 0.76563 0.55632 1.0000 + Si Si853 1.0 0.52604 0.79688 0.55632 1.0000 + Si Si854 1.0 0.49479 0.82813 0.55632 1.0000 + Si Si855 1.0 0.46354 0.85938 0.55632 1.0000 + Si Si856 1.0 0.43229 0.89063 0.55632 1.0000 + Si Si857 1.0 0.40104 0.92188 0.55632 1.0000 + Si Si858 1.0 0.36979 0.95313 0.55632 1.0000 + Si Si859 1.0 0.33854 0.98438 0.55632 1.0000 + Si Si860 1.0 0.30729 0.01563 0.55632 1.0000 + Si Si861 1.0 0.27604 0.04688 0.55632 1.0000 + Si Si862 1.0 0.24479 0.07813 0.55632 1.0000 + Si Si863 1.0 0.21354 0.10938 0.55632 1.0000 + Si Si864 1.0 0.18229 0.14063 0.55632 1.0000 + Si Si865 1.0 0.68229 0.70313 0.55632 1.0000 + Si Si866 1.0 0.65104 0.73438 0.55632 1.0000 + Si Si867 1.0 0.61979 0.76563 0.55632 1.0000 + Si Si868 1.0 0.58854 0.79688 0.55632 1.0000 + Si Si869 1.0 0.55729 0.82813 0.55632 1.0000 + Si Si870 1.0 0.52604 0.85938 0.55632 1.0000 + Si Si871 1.0 0.49479 0.89063 0.55632 1.0000 + Si Si872 1.0 0.46354 0.92188 0.55632 1.0000 + Si Si873 1.0 0.43229 0.95313 0.55632 1.0000 + Si Si874 1.0 0.40104 0.98438 0.55632 1.0000 + Si Si875 1.0 0.36979 0.01563 0.55632 1.0000 + Si Si876 1.0 0.33854 0.04688 0.55632 1.0000 + Si Si877 1.0 0.30729 0.07813 0.55632 1.0000 + Si Si878 1.0 0.27604 0.10938 0.55632 1.0000 + Si Si879 1.0 0.24479 0.14063 0.55632 1.0000 + Si Si880 1.0 0.21354 0.17188 0.55632 1.0000 + Si Si881 1.0 0.71354 0.73438 0.55632 1.0000 + Si Si882 1.0 0.68229 0.76563 0.55632 1.0000 + Si Si883 1.0 0.65104 0.79688 0.55632 1.0000 + Si Si884 1.0 0.61979 0.82813 0.55632 1.0000 + Si Si885 1.0 0.58854 0.85938 0.55632 1.0000 + Si Si886 1.0 0.55729 0.89063 0.55632 1.0000 + Si Si887 1.0 0.52604 0.92188 0.55632 1.0000 + Si Si888 1.0 0.49479 0.95313 0.55632 1.0000 + Si Si889 1.0 0.46354 0.98438 0.55632 1.0000 + Si Si890 1.0 0.43229 0.01563 0.55632 1.0000 + Si Si891 1.0 0.40104 0.04688 0.55632 1.0000 + Si Si892 1.0 0.36979 0.07813 0.55632 1.0000 + Si Si893 1.0 0.33854 0.10938 0.55632 1.0000 + Si Si894 1.0 0.30729 0.14063 0.55632 1.0000 + Si Si895 1.0 0.27604 0.17188 0.55632 1.0000 + Si Si896 1.0 0.24479 0.20313 0.55632 1.0000 + Si Si897 1.0 0.74479 0.76563 0.55632 1.0000 + Si Si898 1.0 0.71354 0.79688 0.55632 1.0000 + Si Si899 1.0 0.68229 0.82813 0.55632 1.0000 + Si Si900 1.0 0.65104 0.85938 0.55632 1.0000 + Si Si901 1.0 0.61979 0.89063 0.55632 1.0000 + Si Si902 1.0 0.58854 0.92188 0.55632 1.0000 + Si Si903 1.0 0.55729 0.95313 0.55632 1.0000 + Si Si904 1.0 0.52604 0.98438 0.55632 1.0000 + Si Si905 1.0 0.49479 0.01563 0.55632 1.0000 + Si Si906 1.0 0.46354 0.04688 0.55632 1.0000 + Si Si907 1.0 0.43229 0.07813 0.55632 1.0000 + Si Si908 1.0 0.40104 0.10938 0.55632 1.0000 + Si Si909 1.0 0.36979 0.14063 0.55632 1.0000 + Si Si910 1.0 0.33854 0.17188 0.55632 1.0000 + Si Si911 1.0 0.30729 0.20313 0.55632 1.0000 + Si Si912 1.0 0.27604 0.23438 0.55632 1.0000 + Si Si913 1.0 0.77604 0.79688 0.55632 1.0000 + Si Si914 1.0 0.74479 0.82813 0.55632 1.0000 + Si Si915 1.0 0.71354 0.85938 0.55632 1.0000 + Si Si916 1.0 0.68229 0.89063 0.55632 1.0000 + Si Si917 1.0 0.65104 0.92188 0.55632 1.0000 + Si Si918 1.0 0.61979 0.95313 0.55632 1.0000 + Si Si919 1.0 0.58854 0.98438 0.55632 1.0000 + Si Si920 1.0 0.55729 0.01563 0.55632 1.0000 + Si Si921 1.0 0.52604 0.04688 0.55632 1.0000 + Si Si922 1.0 0.49479 0.07813 0.55632 1.0000 + Si Si923 1.0 0.46354 0.10938 0.55632 1.0000 + Si Si924 1.0 0.43229 0.14063 0.55632 1.0000 + Si Si925 1.0 0.40104 0.17188 0.55632 1.0000 + Si Si926 1.0 0.36979 0.20313 0.55632 1.0000 + Si Si927 1.0 0.33854 0.23438 0.55632 1.0000 + Si Si928 1.0 0.30729 0.26563 0.55632 1.0000 + Si Si929 1.0 0.80729 0.82813 0.55632 1.0000 + Si Si930 1.0 0.77604 0.85938 0.55632 1.0000 + Si Si931 1.0 0.74479 0.89063 0.55632 1.0000 + Si Si932 1.0 0.71354 0.92188 0.55632 1.0000 + Si Si933 1.0 0.68229 0.95313 0.55632 1.0000 + Si Si934 1.0 0.65104 0.98438 0.55632 1.0000 + Si Si935 1.0 0.61979 0.01563 0.55632 1.0000 + Si Si936 1.0 0.58854 0.04688 0.55632 1.0000 + Si Si937 1.0 0.55729 0.07813 0.55632 1.0000 + Si Si938 1.0 0.52604 0.10938 0.55632 1.0000 + Si Si939 1.0 0.49479 0.14063 0.55632 1.0000 + Si Si940 1.0 0.46354 0.17188 0.55632 1.0000 + Si Si941 1.0 0.43229 0.20313 0.55632 1.0000 + Si Si942 1.0 0.40104 0.23438 0.55632 1.0000 + Si Si943 1.0 0.36979 0.26563 0.55632 1.0000 + Si Si944 1.0 0.33854 0.29688 0.55632 1.0000 + Si Si945 1.0 0.83854 0.85938 0.55632 1.0000 + Si Si946 1.0 0.80729 0.89063 0.55632 1.0000 + Si Si947 1.0 0.77604 0.92188 0.55632 1.0000 + Si Si948 1.0 0.74479 0.95313 0.55632 1.0000 + Si Si949 1.0 0.71354 0.98438 0.55632 1.0000 + Si Si950 1.0 0.68229 0.01563 0.55632 1.0000 + Si Si951 1.0 0.65104 0.04688 0.55632 1.0000 + Si Si952 1.0 0.61979 0.07813 0.55632 1.0000 + Si Si953 1.0 0.58854 0.10938 0.55632 1.0000 + Si Si954 1.0 0.55729 0.14063 0.55632 1.0000 + Si Si955 1.0 0.52604 0.17188 0.55632 1.0000 + Si Si956 1.0 0.49479 0.20313 0.55632 1.0000 + Si Si957 1.0 0.46354 0.23438 0.55632 1.0000 + Si Si958 1.0 0.43229 0.26563 0.55632 1.0000 + Si Si959 1.0 0.40104 0.29688 0.55632 1.0000 + Si Si960 1.0 0.36979 0.32813 0.55632 1.0000 + Si Si961 1.0 0.86979 0.89063 0.55632 1.0000 + Si Si962 1.0 0.83854 0.92188 0.55632 1.0000 + Si Si963 1.0 0.80729 0.95313 0.55632 1.0000 + Si Si964 1.0 0.77604 0.98438 0.55632 1.0000 + Si Si965 1.0 0.74479 0.01563 0.55632 1.0000 + Si Si966 1.0 0.71354 0.04688 0.55632 1.0000 + Si Si967 1.0 0.68229 0.07813 0.55632 1.0000 + Si Si968 1.0 0.65104 0.10938 0.55632 1.0000 + Si Si969 1.0 0.61979 0.14063 0.55632 1.0000 + Si Si970 1.0 0.58854 0.17188 0.55632 1.0000 + Si Si971 1.0 0.55729 0.20313 0.55632 1.0000 + Si Si972 1.0 0.52604 0.23438 0.55632 1.0000 + Si Si973 1.0 0.49479 0.26563 0.55632 1.0000 + Si Si974 1.0 0.46354 0.29688 0.55632 1.0000 + Si Si975 1.0 0.43229 0.32813 0.55632 1.0000 + Si Si976 1.0 0.40104 0.35938 0.55632 1.0000 + Si Si977 1.0 0.90104 0.92188 0.55632 1.0000 + Si Si978 1.0 0.86979 0.95313 0.55632 1.0000 + Si Si979 1.0 0.83854 0.98438 0.55632 1.0000 + Si Si980 1.0 0.80729 0.01563 0.55632 1.0000 + Si Si981 1.0 0.77604 0.04688 0.55632 1.0000 + Si Si982 1.0 0.74479 0.07813 0.55632 1.0000 + Si Si983 1.0 0.71354 0.10938 0.55632 1.0000 + Si Si984 1.0 0.68229 0.14063 0.55632 1.0000 + Si Si985 1.0 0.65104 0.17188 0.55632 1.0000 + Si Si986 1.0 0.61979 0.20313 0.55632 1.0000 + Si Si987 1.0 0.58854 0.23438 0.55632 1.0000 + Si Si988 1.0 0.55729 0.26563 0.55632 1.0000 + Si Si989 1.0 0.52604 0.29688 0.55632 1.0000 + Si Si990 1.0 0.49479 0.32813 0.55632 1.0000 + Si Si991 1.0 0.46354 0.35938 0.55632 1.0000 + Si Si992 1.0 0.43229 0.39063 0.55632 1.0000 + Si Si993 1.0 0.93229 0.95313 0.55632 1.0000 + Si Si994 1.0 0.90104 0.98438 0.55632 1.0000 + Si Si995 1.0 0.86979 0.01563 0.55632 1.0000 + Si Si996 1.0 0.83854 0.04688 0.55632 1.0000 + Si Si997 1.0 0.80729 0.07813 0.55632 1.0000 + Si Si998 1.0 0.77604 0.10938 0.55632 1.0000 + Si Si999 1.0 0.74479 0.14063 0.55632 1.0000 + Si Si1000 1.0 0.71354 0.17188 0.55632 1.0000 + Si Si1001 1.0 0.68229 0.20313 0.55632 1.0000 + Si Si1002 1.0 0.65104 0.23438 0.55632 1.0000 + Si Si1003 1.0 0.61979 0.26563 0.55632 1.0000 + Si Si1004 1.0 0.58854 0.29688 0.55632 1.0000 + Si Si1005 1.0 0.55729 0.32813 0.55632 1.0000 + Si Si1006 1.0 0.52604 0.35938 0.55632 1.0000 + Si Si1007 1.0 0.49479 0.39063 0.55632 1.0000 + Si Si1008 1.0 0.46354 0.42188 0.55632 1.0000 + Si Si1009 1.0 0.96354 0.98438 0.55632 1.0000 + Si Si1010 1.0 0.93229 0.01563 0.55632 1.0000 + Si Si1011 1.0 0.90104 0.04688 0.55632 1.0000 + Si Si1012 1.0 0.86979 0.07813 0.55632 1.0000 + Si Si1013 1.0 0.83854 0.10938 0.55632 1.0000 + Si Si1014 1.0 0.80729 0.14063 0.55632 1.0000 + Si Si1015 1.0 0.77604 0.17188 0.55632 1.0000 + Si Si1016 1.0 0.74479 0.20313 0.55632 1.0000 + Si Si1017 1.0 0.71354 0.23438 0.55632 1.0000 + Si Si1018 1.0 0.68229 0.26563 0.55632 1.0000 + Si Si1019 1.0 0.65104 0.29688 0.55632 1.0000 + Si Si1020 1.0 0.61979 0.32813 0.55632 1.0000 + Si Si1021 1.0 0.58854 0.35938 0.55632 1.0000 + Si Si1022 1.0 0.55729 0.39063 0.55632 1.0000 + Si Si1023 1.0 0.52604 0.42188 0.55632 1.0000 + Si Si1024 1.0 0.49479 0.45313 0.55632 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5936_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5936_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..4fb0d6793675697c35ecc68aba6310644f5c37f7 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5936_supercell_16x16x1.cif @@ -0,0 +1,537 @@ +data_image0 +_chemical_formula_structural N512 +_chemical_formula_sum "N512" +_cell_length_a 56.9218 +_cell_length_b 108.307 +_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 + N N1 1.0 0.03942 0.04688 0.50000 1.0000 + N N2 1.0 0.03942 0.10938 0.50000 1.0000 + N N3 1.0 0.03942 0.17188 0.50000 1.0000 + N N4 1.0 0.03942 0.23438 0.50000 1.0000 + N N5 1.0 0.03942 0.29688 0.50000 1.0000 + N N6 1.0 0.03942 0.35938 0.50000 1.0000 + N N7 1.0 0.03942 0.42188 0.50000 1.0000 + N N8 1.0 0.03942 0.48438 0.50000 1.0000 + N N9 1.0 0.03942 0.54688 0.50000 1.0000 + N N10 1.0 0.03942 0.60938 0.50000 1.0000 + N N11 1.0 0.03942 0.67188 0.50000 1.0000 + N N12 1.0 0.03942 0.73438 0.50000 1.0000 + N N13 1.0 0.03942 0.79688 0.50000 1.0000 + N N14 1.0 0.03942 0.85938 0.50000 1.0000 + N N15 1.0 0.03942 0.92188 0.50000 1.0000 + N N16 1.0 0.03942 0.98438 0.50000 1.0000 + N N17 1.0 0.10192 0.04688 0.50000 1.0000 + N N18 1.0 0.10192 0.10938 0.50000 1.0000 + N N19 1.0 0.10192 0.17188 0.50000 1.0000 + N N20 1.0 0.10192 0.23438 0.50000 1.0000 + N N21 1.0 0.10192 0.29688 0.50000 1.0000 + N N22 1.0 0.10192 0.35938 0.50000 1.0000 + N N23 1.0 0.10192 0.42188 0.50000 1.0000 + N N24 1.0 0.10192 0.48438 0.50000 1.0000 + N N25 1.0 0.10192 0.54688 0.50000 1.0000 + N N26 1.0 0.10192 0.60938 0.50000 1.0000 + N N27 1.0 0.10192 0.67188 0.50000 1.0000 + N N28 1.0 0.10192 0.73438 0.50000 1.0000 + N N29 1.0 0.10192 0.79688 0.50000 1.0000 + N N30 1.0 0.10192 0.85938 0.50000 1.0000 + N N31 1.0 0.10192 0.92188 0.50000 1.0000 + N N32 1.0 0.10192 0.98438 0.50000 1.0000 + N N33 1.0 0.16442 0.04688 0.50000 1.0000 + N N34 1.0 0.16442 0.10938 0.50000 1.0000 + N N35 1.0 0.16442 0.17188 0.50000 1.0000 + N N36 1.0 0.16442 0.23438 0.50000 1.0000 + N N37 1.0 0.16442 0.29688 0.50000 1.0000 + N N38 1.0 0.16442 0.35938 0.50000 1.0000 + N N39 1.0 0.16442 0.42188 0.50000 1.0000 + N N40 1.0 0.16442 0.48438 0.50000 1.0000 + N N41 1.0 0.16442 0.54688 0.50000 1.0000 + N N42 1.0 0.16442 0.60938 0.50000 1.0000 + N N43 1.0 0.16442 0.67188 0.50000 1.0000 + N N44 1.0 0.16442 0.73438 0.50000 1.0000 + N N45 1.0 0.16442 0.79688 0.50000 1.0000 + N N46 1.0 0.16442 0.85938 0.50000 1.0000 + N N47 1.0 0.16442 0.92188 0.50000 1.0000 + N N48 1.0 0.16442 0.98438 0.50000 1.0000 + N N49 1.0 0.22692 0.04688 0.50000 1.0000 + N N50 1.0 0.22692 0.10938 0.50000 1.0000 + N N51 1.0 0.22692 0.17188 0.50000 1.0000 + N N52 1.0 0.22692 0.23438 0.50000 1.0000 + N N53 1.0 0.22692 0.29688 0.50000 1.0000 + N N54 1.0 0.22692 0.35938 0.50000 1.0000 + N N55 1.0 0.22692 0.42188 0.50000 1.0000 + N N56 1.0 0.22692 0.48438 0.50000 1.0000 + N N57 1.0 0.22692 0.54688 0.50000 1.0000 + N N58 1.0 0.22692 0.60938 0.50000 1.0000 + N N59 1.0 0.22692 0.67188 0.50000 1.0000 + N N60 1.0 0.22692 0.73438 0.50000 1.0000 + N N61 1.0 0.22692 0.79688 0.50000 1.0000 + N N62 1.0 0.22692 0.85938 0.50000 1.0000 + N N63 1.0 0.22692 0.92188 0.50000 1.0000 + N N64 1.0 0.22692 0.98438 0.50000 1.0000 + N N65 1.0 0.28942 0.04688 0.50000 1.0000 + N N66 1.0 0.28942 0.10938 0.50000 1.0000 + N N67 1.0 0.28942 0.17188 0.50000 1.0000 + N N68 1.0 0.28942 0.23438 0.50000 1.0000 + N N69 1.0 0.28942 0.29688 0.50000 1.0000 + N N70 1.0 0.28942 0.35938 0.50000 1.0000 + N N71 1.0 0.28942 0.42188 0.50000 1.0000 + N N72 1.0 0.28942 0.48438 0.50000 1.0000 + N N73 1.0 0.28942 0.54688 0.50000 1.0000 + N N74 1.0 0.28942 0.60938 0.50000 1.0000 + N N75 1.0 0.28942 0.67188 0.50000 1.0000 + N N76 1.0 0.28942 0.73438 0.50000 1.0000 + N N77 1.0 0.28942 0.79688 0.50000 1.0000 + N N78 1.0 0.28942 0.85938 0.50000 1.0000 + N N79 1.0 0.28942 0.92188 0.50000 1.0000 + N N80 1.0 0.28942 0.98438 0.50000 1.0000 + N N81 1.0 0.35192 0.04688 0.50000 1.0000 + N N82 1.0 0.35192 0.10938 0.50000 1.0000 + N N83 1.0 0.35192 0.17188 0.50000 1.0000 + N N84 1.0 0.35192 0.23438 0.50000 1.0000 + N N85 1.0 0.35192 0.29688 0.50000 1.0000 + N N86 1.0 0.35192 0.35938 0.50000 1.0000 + N N87 1.0 0.35192 0.42188 0.50000 1.0000 + N N88 1.0 0.35192 0.48438 0.50000 1.0000 + N N89 1.0 0.35192 0.54688 0.50000 1.0000 + N N90 1.0 0.35192 0.60938 0.50000 1.0000 + N N91 1.0 0.35192 0.67188 0.50000 1.0000 + N N92 1.0 0.35192 0.73438 0.50000 1.0000 + N N93 1.0 0.35192 0.79688 0.50000 1.0000 + N N94 1.0 0.35192 0.85938 0.50000 1.0000 + N N95 1.0 0.35192 0.92188 0.50000 1.0000 + N N96 1.0 0.35192 0.98438 0.50000 1.0000 + N N97 1.0 0.41442 0.04688 0.50000 1.0000 + N N98 1.0 0.41442 0.10938 0.50000 1.0000 + N N99 1.0 0.41442 0.17188 0.50000 1.0000 + N N100 1.0 0.41442 0.23438 0.50000 1.0000 + N N101 1.0 0.41442 0.29688 0.50000 1.0000 + N N102 1.0 0.41442 0.35938 0.50000 1.0000 + N N103 1.0 0.41442 0.42188 0.50000 1.0000 + N N104 1.0 0.41442 0.48438 0.50000 1.0000 + N N105 1.0 0.41442 0.54688 0.50000 1.0000 + N N106 1.0 0.41442 0.60938 0.50000 1.0000 + N N107 1.0 0.41442 0.67188 0.50000 1.0000 + N N108 1.0 0.41442 0.73438 0.50000 1.0000 + N N109 1.0 0.41442 0.79688 0.50000 1.0000 + N N110 1.0 0.41442 0.85938 0.50000 1.0000 + N N111 1.0 0.41442 0.92188 0.50000 1.0000 + N N112 1.0 0.41442 0.98438 0.50000 1.0000 + N N113 1.0 0.47692 0.04688 0.50000 1.0000 + N N114 1.0 0.47692 0.10938 0.50000 1.0000 + N N115 1.0 0.47692 0.17188 0.50000 1.0000 + N N116 1.0 0.47692 0.23438 0.50000 1.0000 + N N117 1.0 0.47692 0.29688 0.50000 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1.0000 + N N390 1.0 0.52308 0.32812 0.50000 1.0000 + N N391 1.0 0.52308 0.39062 0.50000 1.0000 + N N392 1.0 0.52308 0.45312 0.50000 1.0000 + N N393 1.0 0.52308 0.51562 0.50000 1.0000 + N N394 1.0 0.52308 0.57812 0.50000 1.0000 + N N395 1.0 0.52308 0.64062 0.50000 1.0000 + N N396 1.0 0.52308 0.70312 0.50000 1.0000 + N N397 1.0 0.52308 0.76562 0.50000 1.0000 + N N398 1.0 0.52308 0.82812 0.50000 1.0000 + N N399 1.0 0.52308 0.89062 0.50000 1.0000 + N N400 1.0 0.52308 0.95312 0.50000 1.0000 + N N401 1.0 0.58558 0.01562 0.50000 1.0000 + N N402 1.0 0.58558 0.07812 0.50000 1.0000 + N N403 1.0 0.58558 0.14062 0.50000 1.0000 + N N404 1.0 0.58558 0.20312 0.50000 1.0000 + N N405 1.0 0.58558 0.26562 0.50000 1.0000 + N N406 1.0 0.58558 0.32812 0.50000 1.0000 + N N407 1.0 0.58558 0.39062 0.50000 1.0000 + N N408 1.0 0.58558 0.45312 0.50000 1.0000 + N N409 1.0 0.58558 0.51562 0.50000 1.0000 + N N410 1.0 0.58558 0.57812 0.50000 1.0000 + N N411 1.0 0.58558 0.64062 0.50000 1.0000 + N N412 1.0 0.58558 0.70312 0.50000 1.0000 + N N413 1.0 0.58558 0.76562 0.50000 1.0000 + N N414 1.0 0.58558 0.82812 0.50000 1.0000 + N N415 1.0 0.58558 0.89062 0.50000 1.0000 + N N416 1.0 0.58558 0.95312 0.50000 1.0000 + N N417 1.0 0.64808 0.01562 0.50000 1.0000 + N N418 1.0 0.64808 0.07812 0.50000 1.0000 + N N419 1.0 0.64808 0.14062 0.50000 1.0000 + N N420 1.0 0.64808 0.20312 0.50000 1.0000 + N N421 1.0 0.64808 0.26562 0.50000 1.0000 + N N422 1.0 0.64808 0.32812 0.50000 1.0000 + N N423 1.0 0.64808 0.39062 0.50000 1.0000 + N N424 1.0 0.64808 0.45312 0.50000 1.0000 + N N425 1.0 0.64808 0.51562 0.50000 1.0000 + N N426 1.0 0.64808 0.57812 0.50000 1.0000 + N N427 1.0 0.64808 0.64062 0.50000 1.0000 + N N428 1.0 0.64808 0.70312 0.50000 1.0000 + N N429 1.0 0.64808 0.76562 0.50000 1.0000 + N N430 1.0 0.64808 0.82812 0.50000 1.0000 + N N431 1.0 0.64808 0.89062 0.50000 1.0000 + N N432 1.0 0.64808 0.95312 0.50000 1.0000 + N N433 1.0 0.71058 0.01562 0.50000 1.0000 + N N434 1.0 0.71058 0.07812 0.50000 1.0000 + N N435 1.0 0.71058 0.14062 0.50000 1.0000 + N N436 1.0 0.71058 0.20312 0.50000 1.0000 + N N437 1.0 0.71058 0.26562 0.50000 1.0000 + N N438 1.0 0.71058 0.32812 0.50000 1.0000 + N N439 1.0 0.71058 0.39062 0.50000 1.0000 + N N440 1.0 0.71058 0.45312 0.50000 1.0000 + N N441 1.0 0.71058 0.51562 0.50000 1.0000 + N N442 1.0 0.71058 0.57812 0.50000 1.0000 + N N443 1.0 0.71058 0.64062 0.50000 1.0000 + N N444 1.0 0.71058 0.70312 0.50000 1.0000 + N N445 1.0 0.71058 0.76562 0.50000 1.0000 + N N446 1.0 0.71058 0.82812 0.50000 1.0000 + N N447 1.0 0.71058 0.89062 0.50000 1.0000 + N N448 1.0 0.71058 0.95312 0.50000 1.0000 + N N449 1.0 0.77308 0.01562 0.50000 1.0000 + N N450 1.0 0.77308 0.07812 0.50000 1.0000 + N N451 1.0 0.77308 0.14062 0.50000 1.0000 + N N452 1.0 0.77308 0.20312 0.50000 1.0000 + N N453 1.0 0.77308 0.26562 0.50000 1.0000 + N N454 1.0 0.77308 0.32812 0.50000 1.0000 + N N455 1.0 0.77308 0.39062 0.50000 1.0000 + N N456 1.0 0.77308 0.45312 0.50000 1.0000 + N N457 1.0 0.77308 0.51562 0.50000 1.0000 + N N458 1.0 0.77308 0.57812 0.50000 1.0000 + N N459 1.0 0.77308 0.64062 0.50000 1.0000 + N N460 1.0 0.77308 0.70312 0.50000 1.0000 + N N461 1.0 0.77308 0.76562 0.50000 1.0000 + N N462 1.0 0.77308 0.82812 0.50000 1.0000 + N N463 1.0 0.77308 0.89062 0.50000 1.0000 + N N464 1.0 0.77308 0.95312 0.50000 1.0000 + N N465 1.0 0.83558 0.01562 0.50000 1.0000 + N N466 1.0 0.83558 0.07812 0.50000 1.0000 + N N467 1.0 0.83558 0.14062 0.50000 1.0000 + N N468 1.0 0.83558 0.20312 0.50000 1.0000 + N N469 1.0 0.83558 0.26562 0.50000 1.0000 + N N470 1.0 0.83558 0.32812 0.50000 1.0000 + N N471 1.0 0.83558 0.39062 0.50000 1.0000 + N N472 1.0 0.83558 0.45312 0.50000 1.0000 + N N473 1.0 0.83558 0.51562 0.50000 1.0000 + N N474 1.0 0.83558 0.57812 0.50000 1.0000 + N N475 1.0 0.83558 0.64062 0.50000 1.0000 + N N476 1.0 0.83558 0.70312 0.50000 1.0000 + N N477 1.0 0.83558 0.76562 0.50000 1.0000 + N N478 1.0 0.83558 0.82812 0.50000 1.0000 + N N479 1.0 0.83558 0.89062 0.50000 1.0000 + N N480 1.0 0.83558 0.95312 0.50000 1.0000 + N N481 1.0 0.89808 0.01562 0.50000 1.0000 + N N482 1.0 0.89808 0.07812 0.50000 1.0000 + N N483 1.0 0.89808 0.14062 0.50000 1.0000 + N N484 1.0 0.89808 0.20312 0.50000 1.0000 + N N485 1.0 0.89808 0.26562 0.50000 1.0000 + N N486 1.0 0.89808 0.32812 0.50000 1.0000 + N N487 1.0 0.89808 0.39062 0.50000 1.0000 + N N488 1.0 0.89808 0.45312 0.50000 1.0000 + N N489 1.0 0.89808 0.51562 0.50000 1.0000 + N N490 1.0 0.89808 0.57812 0.50000 1.0000 + N N491 1.0 0.89808 0.64062 0.50000 1.0000 + N N492 1.0 0.89808 0.70312 0.50000 1.0000 + N N493 1.0 0.89808 0.76562 0.50000 1.0000 + N N494 1.0 0.89808 0.82812 0.50000 1.0000 + N N495 1.0 0.89808 0.89062 0.50000 1.0000 + N N496 1.0 0.89808 0.95312 0.50000 1.0000 + N N497 1.0 0.96058 0.01562 0.50000 1.0000 + N N498 1.0 0.96058 0.07812 0.50000 1.0000 + N N499 1.0 0.96058 0.14062 0.50000 1.0000 + N N500 1.0 0.96058 0.20312 0.50000 1.0000 + N N501 1.0 0.96058 0.26562 0.50000 1.0000 + N N502 1.0 0.96058 0.32812 0.50000 1.0000 + N N503 1.0 0.96058 0.39062 0.50000 1.0000 + N N504 1.0 0.96058 0.45312 0.50000 1.0000 + N N505 1.0 0.96058 0.51562 0.50000 1.0000 + N N506 1.0 0.96058 0.57812 0.50000 1.0000 + N N507 1.0 0.96058 0.64062 0.50000 1.0000 + N N508 1.0 0.96058 0.70312 0.50000 1.0000 + N N509 1.0 0.96058 0.76562 0.50000 1.0000 + N N510 1.0 0.96058 0.82812 0.50000 1.0000 + N N511 1.0 0.96058 0.89062 0.50000 1.0000 + N N512 1.0 0.96058 0.95312 0.50000 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5941_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5941_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..4942a73dd49e79bc5417a2a00d50b6a18a01f4b4 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5941_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural Sn1024 +_chemical_formula_sum "Sn1024" +_cell_length_a 129.101 +_cell_length_b 74.5256 +_cell_length_c 4.87748 +_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 0.00521 0.04687 0.41005 1.0000 + Sn Sn2 1.0 0.97396 0.07812 0.41005 1.0000 + Sn Sn3 1.0 0.94271 0.10937 0.41005 1.0000 + Sn Sn4 1.0 0.91146 0.14062 0.41005 1.0000 + Sn Sn5 1.0 0.88021 0.17187 0.41005 1.0000 + Sn Sn6 1.0 0.84896 0.20312 0.41005 1.0000 + Sn Sn7 1.0 0.81771 0.23437 0.41005 1.0000 + Sn Sn8 1.0 0.78646 0.26562 0.41005 1.0000 + Sn Sn9 1.0 0.75521 0.29687 0.41005 1.0000 + Sn Sn10 1.0 0.72396 0.32812 0.41005 1.0000 + Sn Sn11 1.0 0.69271 0.35937 0.41005 1.0000 + Sn Sn12 1.0 0.66146 0.39062 0.41005 1.0000 + Sn Sn13 1.0 0.63021 0.42187 0.41005 1.0000 + Sn Sn14 1.0 0.59896 0.45312 0.41005 1.0000 + Sn Sn15 1.0 0.56771 0.48437 0.41005 1.0000 + Sn Sn16 1.0 0.53646 0.51562 0.41005 1.0000 + Sn Sn17 1.0 0.03646 0.07812 0.41005 1.0000 + Sn Sn18 1.0 0.00521 0.10937 0.41005 1.0000 + Sn Sn19 1.0 0.97396 0.14062 0.41005 1.0000 + Sn Sn20 1.0 0.94271 0.17187 0.41005 1.0000 + Sn Sn21 1.0 0.91146 0.20312 0.41005 1.0000 + Sn Sn22 1.0 0.88021 0.23437 0.41005 1.0000 + Sn Sn23 1.0 0.84896 0.26562 0.41005 1.0000 + Sn Sn24 1.0 0.81771 0.29687 0.41005 1.0000 + Sn Sn25 1.0 0.78646 0.32812 0.41005 1.0000 + Sn Sn26 1.0 0.75521 0.35937 0.41005 1.0000 + Sn Sn27 1.0 0.72396 0.39062 0.41005 1.0000 + Sn Sn28 1.0 0.69271 0.42187 0.41005 1.0000 + Sn Sn29 1.0 0.66146 0.45312 0.41005 1.0000 + Sn Sn30 1.0 0.63021 0.48437 0.41005 1.0000 + Sn Sn31 1.0 0.59896 0.51562 0.41005 1.0000 + Sn Sn32 1.0 0.56771 0.54687 0.41005 1.0000 + Sn Sn33 1.0 0.06771 0.10937 0.41005 1.0000 + Sn Sn34 1.0 0.03646 0.14062 0.41005 1.0000 + Sn Sn35 1.0 0.00521 0.17187 0.41005 1.0000 + Sn Sn36 1.0 0.97396 0.20312 0.41005 1.0000 + Sn Sn37 1.0 0.94271 0.23437 0.41005 1.0000 + Sn Sn38 1.0 0.91146 0.26562 0.41005 1.0000 + Sn Sn39 1.0 0.88021 0.29687 0.41005 1.0000 + Sn Sn40 1.0 0.84896 0.32812 0.41005 1.0000 + Sn Sn41 1.0 0.81771 0.35937 0.41005 1.0000 + Sn Sn42 1.0 0.78646 0.39062 0.41005 1.0000 + Sn Sn43 1.0 0.75521 0.42187 0.41005 1.0000 + Sn Sn44 1.0 0.72396 0.45312 0.41005 1.0000 + Sn Sn45 1.0 0.69271 0.48437 0.41005 1.0000 + Sn Sn46 1.0 0.66146 0.51562 0.41005 1.0000 + Sn Sn47 1.0 0.63021 0.54687 0.41005 1.0000 + Sn Sn48 1.0 0.59896 0.57812 0.41005 1.0000 + Sn Sn49 1.0 0.09896 0.14062 0.41005 1.0000 + Sn Sn50 1.0 0.06771 0.17187 0.41005 1.0000 + Sn Sn51 1.0 0.03646 0.20312 0.41005 1.0000 + Sn Sn52 1.0 0.00521 0.23437 0.41005 1.0000 + Sn Sn53 1.0 0.97396 0.26562 0.41005 1.0000 + Sn Sn54 1.0 0.94271 0.29687 0.41005 1.0000 + Sn Sn55 1.0 0.91146 0.32812 0.41005 1.0000 + Sn Sn56 1.0 0.88021 0.35937 0.41005 1.0000 + Sn Sn57 1.0 0.84896 0.39062 0.41005 1.0000 + Sn Sn58 1.0 0.81771 0.42187 0.41005 1.0000 + Sn Sn59 1.0 0.78646 0.45312 0.41005 1.0000 + Sn Sn60 1.0 0.75521 0.48437 0.41005 1.0000 + Sn Sn61 1.0 0.72396 0.51562 0.41005 1.0000 + Sn Sn62 1.0 0.69271 0.54687 0.41005 1.0000 + Sn Sn63 1.0 0.66146 0.57812 0.41005 1.0000 + Sn Sn64 1.0 0.63021 0.60937 0.41005 1.0000 + Sn Sn65 1.0 0.13021 0.17187 0.41005 1.0000 + Sn Sn66 1.0 0.09896 0.20312 0.41005 1.0000 + Sn Sn67 1.0 0.06771 0.23437 0.41005 1.0000 + Sn Sn68 1.0 0.03646 0.26562 0.41005 1.0000 + Sn Sn69 1.0 0.00521 0.29687 0.41005 1.0000 + Sn Sn70 1.0 0.97396 0.32812 0.41005 1.0000 + Sn Sn71 1.0 0.94271 0.35937 0.41005 1.0000 + Sn Sn72 1.0 0.91146 0.39062 0.41005 1.0000 + Sn Sn73 1.0 0.88021 0.42187 0.41005 1.0000 + Sn Sn74 1.0 0.84896 0.45312 0.41005 1.0000 + Sn Sn75 1.0 0.81771 0.48437 0.41005 1.0000 + Sn Sn76 1.0 0.78646 0.51562 0.41005 1.0000 + Sn Sn77 1.0 0.75521 0.54687 0.41005 1.0000 + Sn Sn78 1.0 0.72396 0.57812 0.41005 1.0000 + Sn Sn79 1.0 0.69271 0.60937 0.41005 1.0000 + Sn Sn80 1.0 0.66146 0.64062 0.41005 1.0000 + Sn Sn81 1.0 0.16146 0.20312 0.41005 1.0000 + Sn Sn82 1.0 0.13021 0.23437 0.41005 1.0000 + Sn Sn83 1.0 0.09896 0.26562 0.41005 1.0000 + Sn Sn84 1.0 0.06771 0.29687 0.41005 1.0000 + Sn Sn85 1.0 0.03646 0.32812 0.41005 1.0000 + Sn Sn86 1.0 0.00521 0.35937 0.41005 1.0000 + Sn Sn87 1.0 0.97396 0.39062 0.41005 1.0000 + Sn Sn88 1.0 0.94271 0.42187 0.41005 1.0000 + Sn Sn89 1.0 0.91146 0.45312 0.41005 1.0000 + Sn Sn90 1.0 0.88021 0.48437 0.41005 1.0000 + Sn Sn91 1.0 0.84896 0.51562 0.41005 1.0000 + Sn Sn92 1.0 0.81771 0.54687 0.41005 1.0000 + Sn Sn93 1.0 0.78646 0.57812 0.41005 1.0000 + Sn Sn94 1.0 0.75521 0.60937 0.41005 1.0000 + Sn Sn95 1.0 0.72396 0.64062 0.41005 1.0000 + Sn Sn96 1.0 0.69271 0.67187 0.41005 1.0000 + Sn Sn97 1.0 0.19271 0.23437 0.41005 1.0000 + Sn Sn98 1.0 0.16146 0.26562 0.41005 1.0000 + Sn Sn99 1.0 0.13021 0.29687 0.41005 1.0000 + Sn Sn100 1.0 0.09896 0.32812 0.41005 1.0000 + Sn Sn101 1.0 0.06771 0.35937 0.41005 1.0000 + Sn Sn102 1.0 0.03646 0.39062 0.41005 1.0000 + Sn Sn103 1.0 0.00521 0.42187 0.41005 1.0000 + Sn Sn104 1.0 0.97396 0.45312 0.41005 1.0000 + Sn Sn105 1.0 0.94271 0.48437 0.41005 1.0000 + Sn Sn106 1.0 0.91146 0.51562 0.41005 1.0000 + Sn Sn107 1.0 0.88021 0.54687 0.41005 1.0000 + Sn Sn108 1.0 0.84896 0.57812 0.41005 1.0000 + Sn Sn109 1.0 0.81771 0.60937 0.41005 1.0000 + Sn Sn110 1.0 0.78646 0.64062 0.41005 1.0000 + Sn Sn111 1.0 0.75521 0.67187 0.41005 1.0000 + Sn Sn112 1.0 0.72396 0.70312 0.41005 1.0000 + Sn Sn113 1.0 0.22396 0.26562 0.41005 1.0000 + Sn Sn114 1.0 0.19271 0.29687 0.41005 1.0000 + Sn Sn115 1.0 0.16146 0.32812 0.41005 1.0000 + Sn Sn116 1.0 0.13021 0.35937 0.41005 1.0000 + Sn Sn117 1.0 0.09896 0.39062 0.41005 1.0000 + Sn Sn118 1.0 0.06771 0.42187 0.41005 1.0000 + Sn Sn119 1.0 0.03646 0.45312 0.41005 1.0000 + Sn Sn120 1.0 0.00521 0.48437 0.41005 1.0000 + Sn Sn121 1.0 0.97396 0.51562 0.41005 1.0000 + Sn Sn122 1.0 0.94271 0.54687 0.41005 1.0000 + Sn Sn123 1.0 0.91146 0.57812 0.41005 1.0000 + Sn Sn124 1.0 0.88021 0.60937 0.41005 1.0000 + Sn Sn125 1.0 0.84896 0.64062 0.41005 1.0000 + Sn Sn126 1.0 0.81771 0.67187 0.41005 1.0000 + Sn Sn127 1.0 0.78646 0.70312 0.41005 1.0000 + Sn Sn128 1.0 0.75521 0.73437 0.41005 1.0000 + Sn Sn129 1.0 0.25521 0.29687 0.41005 1.0000 + Sn Sn130 1.0 0.22396 0.32812 0.41005 1.0000 + Sn Sn131 1.0 0.19271 0.35937 0.41005 1.0000 + Sn Sn132 1.0 0.16146 0.39062 0.41005 1.0000 + Sn Sn133 1.0 0.13021 0.42187 0.41005 1.0000 + Sn Sn134 1.0 0.09896 0.45312 0.41005 1.0000 + Sn Sn135 1.0 0.06771 0.48437 0.41005 1.0000 + Sn Sn136 1.0 0.03646 0.51562 0.41005 1.0000 + Sn Sn137 1.0 0.00521 0.54687 0.41005 1.0000 + Sn Sn138 1.0 0.97396 0.57812 0.41005 1.0000 + Sn Sn139 1.0 0.94271 0.60937 0.41005 1.0000 + Sn Sn140 1.0 0.91146 0.64062 0.41005 1.0000 + Sn Sn141 1.0 0.88021 0.67187 0.41005 1.0000 + Sn Sn142 1.0 0.84896 0.70312 0.41005 1.0000 + Sn Sn143 1.0 0.81771 0.73437 0.41005 1.0000 + Sn Sn144 1.0 0.78646 0.76562 0.41005 1.0000 + Sn Sn145 1.0 0.28646 0.32812 0.41005 1.0000 + Sn Sn146 1.0 0.25521 0.35937 0.41005 1.0000 + Sn Sn147 1.0 0.22396 0.39062 0.41005 1.0000 + Sn Sn148 1.0 0.19271 0.42187 0.41005 1.0000 + Sn Sn149 1.0 0.16146 0.45312 0.41005 1.0000 + Sn Sn150 1.0 0.13021 0.48437 0.41005 1.0000 + Sn Sn151 1.0 0.09896 0.51562 0.41005 1.0000 + Sn Sn152 1.0 0.06771 0.54687 0.41005 1.0000 + Sn Sn153 1.0 0.03646 0.57812 0.41005 1.0000 + Sn Sn154 1.0 0.00521 0.60937 0.41005 1.0000 + Sn Sn155 1.0 0.97396 0.64062 0.41005 1.0000 + Sn Sn156 1.0 0.94271 0.67187 0.41005 1.0000 + Sn Sn157 1.0 0.91146 0.70312 0.41005 1.0000 + Sn Sn158 1.0 0.88021 0.73437 0.41005 1.0000 + Sn Sn159 1.0 0.84896 0.76562 0.41005 1.0000 + Sn Sn160 1.0 0.81771 0.79687 0.41005 1.0000 + Sn Sn161 1.0 0.31771 0.35937 0.41005 1.0000 + Sn Sn162 1.0 0.28646 0.39062 0.41005 1.0000 + Sn Sn163 1.0 0.25521 0.42187 0.41005 1.0000 + Sn Sn164 1.0 0.22396 0.45312 0.41005 1.0000 + Sn Sn165 1.0 0.19271 0.48437 0.41005 1.0000 + Sn Sn166 1.0 0.16146 0.51562 0.41005 1.0000 + Sn Sn167 1.0 0.13021 0.54687 0.41005 1.0000 + Sn Sn168 1.0 0.09896 0.57812 0.41005 1.0000 + Sn Sn169 1.0 0.06771 0.60937 0.41005 1.0000 + Sn Sn170 1.0 0.03646 0.64062 0.41005 1.0000 + Sn Sn171 1.0 0.00521 0.67187 0.41005 1.0000 + Sn Sn172 1.0 0.97396 0.70312 0.41005 1.0000 + Sn Sn173 1.0 0.94271 0.73437 0.41005 1.0000 + Sn Sn174 1.0 0.91146 0.76562 0.41005 1.0000 + Sn Sn175 1.0 0.88021 0.79687 0.41005 1.0000 + Sn Sn176 1.0 0.84896 0.82812 0.41005 1.0000 + Sn Sn177 1.0 0.34896 0.39062 0.41005 1.0000 + Sn Sn178 1.0 0.31771 0.42187 0.41005 1.0000 + Sn Sn179 1.0 0.28646 0.45312 0.41005 1.0000 + Sn Sn180 1.0 0.25521 0.48437 0.41005 1.0000 + Sn Sn181 1.0 0.22396 0.51562 0.41005 1.0000 + Sn Sn182 1.0 0.19271 0.54687 0.41005 1.0000 + Sn Sn183 1.0 0.16146 0.57812 0.41005 1.0000 + Sn Sn184 1.0 0.13021 0.60937 0.41005 1.0000 + Sn Sn185 1.0 0.09896 0.64062 0.41005 1.0000 + Sn Sn186 1.0 0.06771 0.67187 0.41005 1.0000 + Sn Sn187 1.0 0.03646 0.70312 0.41005 1.0000 + Sn Sn188 1.0 0.00521 0.73437 0.41005 1.0000 + Sn Sn189 1.0 0.97396 0.76562 0.41005 1.0000 + Sn Sn190 1.0 0.94271 0.79687 0.41005 1.0000 + Sn Sn191 1.0 0.91146 0.82812 0.41005 1.0000 + Sn Sn192 1.0 0.88021 0.85937 0.41005 1.0000 + Sn Sn193 1.0 0.38021 0.42187 0.41005 1.0000 + Sn Sn194 1.0 0.34896 0.45312 0.41005 1.0000 + Sn Sn195 1.0 0.31771 0.48437 0.41005 1.0000 + Sn Sn196 1.0 0.28646 0.51562 0.41005 1.0000 + Sn Sn197 1.0 0.25521 0.54687 0.41005 1.0000 + Sn Sn198 1.0 0.22396 0.57812 0.41005 1.0000 + Sn Sn199 1.0 0.19271 0.60937 0.41005 1.0000 + Sn Sn200 1.0 0.16146 0.64062 0.41005 1.0000 + Sn Sn201 1.0 0.13021 0.67187 0.41005 1.0000 + Sn Sn202 1.0 0.09896 0.70312 0.41005 1.0000 + Sn Sn203 1.0 0.06771 0.73437 0.41005 1.0000 + Sn Sn204 1.0 0.03646 0.76562 0.41005 1.0000 + Sn Sn205 1.0 0.00521 0.79687 0.41005 1.0000 + Sn Sn206 1.0 0.97396 0.82812 0.41005 1.0000 + Sn Sn207 1.0 0.94271 0.85937 0.41005 1.0000 + Sn Sn208 1.0 0.91146 0.89062 0.41005 1.0000 + Sn Sn209 1.0 0.41146 0.45312 0.41005 1.0000 + Sn Sn210 1.0 0.38021 0.48437 0.41005 1.0000 + Sn Sn211 1.0 0.34896 0.51562 0.41005 1.0000 + Sn Sn212 1.0 0.31771 0.54687 0.41005 1.0000 + Sn Sn213 1.0 0.28646 0.57812 0.41005 1.0000 + Sn Sn214 1.0 0.25521 0.60937 0.41005 1.0000 + Sn Sn215 1.0 0.22396 0.64062 0.41005 1.0000 + Sn Sn216 1.0 0.19271 0.67187 0.41005 1.0000 + Sn Sn217 1.0 0.16146 0.70312 0.41005 1.0000 + Sn Sn218 1.0 0.13021 0.73437 0.41005 1.0000 + Sn Sn219 1.0 0.09896 0.76562 0.41005 1.0000 + Sn Sn220 1.0 0.06771 0.79687 0.41005 1.0000 + Sn Sn221 1.0 0.03646 0.82812 0.41005 1.0000 + Sn Sn222 1.0 0.00521 0.85937 0.41005 1.0000 + Sn Sn223 1.0 0.97396 0.89062 0.41005 1.0000 + Sn Sn224 1.0 0.94271 0.92187 0.41005 1.0000 + Sn Sn225 1.0 0.44271 0.48437 0.41005 1.0000 + Sn Sn226 1.0 0.41146 0.51562 0.41005 1.0000 + Sn Sn227 1.0 0.38021 0.54687 0.41005 1.0000 + Sn Sn228 1.0 0.34896 0.57812 0.41005 1.0000 + Sn Sn229 1.0 0.31771 0.60937 0.41005 1.0000 + Sn Sn230 1.0 0.28646 0.64062 0.41005 1.0000 + Sn Sn231 1.0 0.25521 0.67187 0.41005 1.0000 + Sn Sn232 1.0 0.22396 0.70312 0.41005 1.0000 + Sn Sn233 1.0 0.19271 0.73437 0.41005 1.0000 + Sn Sn234 1.0 0.16146 0.76562 0.41005 1.0000 + Sn Sn235 1.0 0.13021 0.79687 0.41005 1.0000 + Sn Sn236 1.0 0.09896 0.82812 0.41005 1.0000 + Sn Sn237 1.0 0.06771 0.85937 0.41005 1.0000 + Sn Sn238 1.0 0.03646 0.89062 0.41005 1.0000 + Sn Sn239 1.0 0.00521 0.92187 0.41005 1.0000 + Sn Sn240 1.0 0.97396 0.95312 0.41005 1.0000 + Sn Sn241 1.0 0.47396 0.51562 0.41005 1.0000 + Sn Sn242 1.0 0.44271 0.54687 0.41005 1.0000 + Sn Sn243 1.0 0.41146 0.57812 0.41005 1.0000 + Sn Sn244 1.0 0.38021 0.60937 0.41005 1.0000 + Sn Sn245 1.0 0.34896 0.64062 0.41005 1.0000 + Sn Sn246 1.0 0.31771 0.67187 0.41005 1.0000 + Sn Sn247 1.0 0.28646 0.70312 0.41005 1.0000 + Sn Sn248 1.0 0.25521 0.73437 0.41005 1.0000 + Sn Sn249 1.0 0.22396 0.76562 0.41005 1.0000 + Sn Sn250 1.0 0.19271 0.79687 0.41005 1.0000 + Sn Sn251 1.0 0.16146 0.82812 0.41005 1.0000 + Sn Sn252 1.0 0.13021 0.85937 0.41005 1.0000 + Sn Sn253 1.0 0.09896 0.89062 0.41005 1.0000 + Sn Sn254 1.0 0.06771 0.92187 0.41005 1.0000 + Sn Sn255 1.0 0.03646 0.95312 0.41005 1.0000 + Sn Sn256 1.0 0.00521 0.98437 0.41005 1.0000 + Sn Sn257 1.0 0.99479 0.01563 0.58995 1.0000 + Sn Sn258 1.0 0.96354 0.04688 0.58995 1.0000 + Sn Sn259 1.0 0.93229 0.07813 0.58995 1.0000 + Sn Sn260 1.0 0.90104 0.10938 0.58995 1.0000 + Sn Sn261 1.0 0.86979 0.14063 0.58995 1.0000 + Sn Sn262 1.0 0.83854 0.17188 0.58995 1.0000 + Sn Sn263 1.0 0.80729 0.20313 0.58995 1.0000 + Sn Sn264 1.0 0.77604 0.23438 0.58995 1.0000 + Sn Sn265 1.0 0.74479 0.26563 0.58995 1.0000 + Sn Sn266 1.0 0.71354 0.29688 0.58995 1.0000 + Sn Sn267 1.0 0.68229 0.32813 0.58995 1.0000 + Sn Sn268 1.0 0.65104 0.35938 0.58995 1.0000 + Sn Sn269 1.0 0.61979 0.39063 0.58995 1.0000 + Sn Sn270 1.0 0.58854 0.42188 0.58995 1.0000 + Sn Sn271 1.0 0.55729 0.45313 0.58995 1.0000 + Sn Sn272 1.0 0.52604 0.48438 0.58995 1.0000 + Sn Sn273 1.0 0.02604 0.04688 0.58995 1.0000 + Sn Sn274 1.0 0.99479 0.07813 0.58995 1.0000 + Sn Sn275 1.0 0.96354 0.10938 0.58995 1.0000 + Sn Sn276 1.0 0.93229 0.14063 0.58995 1.0000 + Sn Sn277 1.0 0.90104 0.17188 0.58995 1.0000 + Sn Sn278 1.0 0.86979 0.20313 0.58995 1.0000 + Sn Sn279 1.0 0.83854 0.23438 0.58995 1.0000 + Sn Sn280 1.0 0.80729 0.26563 0.58995 1.0000 + Sn Sn281 1.0 0.77604 0.29688 0.58995 1.0000 + Sn Sn282 1.0 0.74479 0.32813 0.58995 1.0000 + Sn Sn283 1.0 0.71354 0.35938 0.58995 1.0000 + Sn Sn284 1.0 0.68229 0.39063 0.58995 1.0000 + Sn Sn285 1.0 0.65104 0.42188 0.58995 1.0000 + Sn Sn286 1.0 0.61979 0.45313 0.58995 1.0000 + Sn Sn287 1.0 0.58854 0.48438 0.58995 1.0000 + Sn Sn288 1.0 0.55729 0.51563 0.58995 1.0000 + Sn Sn289 1.0 0.05729 0.07813 0.58995 1.0000 + Sn Sn290 1.0 0.02604 0.10938 0.58995 1.0000 + Sn Sn291 1.0 0.99479 0.14063 0.58995 1.0000 + Sn Sn292 1.0 0.96354 0.17188 0.58995 1.0000 + Sn Sn293 1.0 0.93229 0.20313 0.58995 1.0000 + Sn Sn294 1.0 0.90104 0.23438 0.58995 1.0000 + Sn Sn295 1.0 0.86979 0.26563 0.58995 1.0000 + Sn Sn296 1.0 0.83854 0.29688 0.58995 1.0000 + Sn Sn297 1.0 0.80729 0.32813 0.58995 1.0000 + Sn Sn298 1.0 0.77604 0.35938 0.58995 1.0000 + Sn Sn299 1.0 0.74479 0.39063 0.58995 1.0000 + Sn Sn300 1.0 0.71354 0.42188 0.58995 1.0000 + Sn Sn301 1.0 0.68229 0.45313 0.58995 1.0000 + Sn Sn302 1.0 0.65104 0.48438 0.58995 1.0000 + Sn Sn303 1.0 0.61979 0.51563 0.58995 1.0000 + Sn Sn304 1.0 0.58854 0.54688 0.58995 1.0000 + Sn Sn305 1.0 0.08854 0.10938 0.58995 1.0000 + Sn Sn306 1.0 0.05729 0.14063 0.58995 1.0000 + Sn Sn307 1.0 0.02604 0.17188 0.58995 1.0000 + Sn Sn308 1.0 0.99479 0.20313 0.58995 1.0000 + Sn Sn309 1.0 0.96354 0.23438 0.58995 1.0000 + Sn Sn310 1.0 0.93229 0.26563 0.58995 1.0000 + Sn Sn311 1.0 0.90104 0.29688 0.58995 1.0000 + Sn Sn312 1.0 0.86979 0.32813 0.58995 1.0000 + Sn Sn313 1.0 0.83854 0.35938 0.58995 1.0000 + Sn Sn314 1.0 0.80729 0.39063 0.58995 1.0000 + Sn Sn315 1.0 0.77604 0.42188 0.58995 1.0000 + Sn Sn316 1.0 0.74479 0.45313 0.58995 1.0000 + Sn Sn317 1.0 0.71354 0.48438 0.58995 1.0000 + Sn Sn318 1.0 0.68229 0.51563 0.58995 1.0000 + Sn Sn319 1.0 0.65104 0.54688 0.58995 1.0000 + Sn Sn320 1.0 0.61979 0.57813 0.58995 1.0000 + Sn Sn321 1.0 0.11979 0.14063 0.58995 1.0000 + Sn Sn322 1.0 0.08854 0.17188 0.58995 1.0000 + Sn Sn323 1.0 0.05729 0.20313 0.58995 1.0000 + Sn Sn324 1.0 0.02604 0.23438 0.58995 1.0000 + Sn Sn325 1.0 0.99479 0.26563 0.58995 1.0000 + Sn Sn326 1.0 0.96354 0.29688 0.58995 1.0000 + Sn Sn327 1.0 0.93229 0.32813 0.58995 1.0000 + Sn Sn328 1.0 0.90104 0.35938 0.58995 1.0000 + Sn Sn329 1.0 0.86979 0.39063 0.58995 1.0000 + Sn Sn330 1.0 0.83854 0.42188 0.58995 1.0000 + Sn Sn331 1.0 0.80729 0.45313 0.58995 1.0000 + Sn Sn332 1.0 0.77604 0.48438 0.58995 1.0000 + Sn Sn333 1.0 0.74479 0.51563 0.58995 1.0000 + Sn Sn334 1.0 0.71354 0.54688 0.58995 1.0000 + Sn Sn335 1.0 0.68229 0.57813 0.58995 1.0000 + Sn Sn336 1.0 0.65104 0.60938 0.58995 1.0000 + Sn Sn337 1.0 0.15104 0.17188 0.58995 1.0000 + Sn Sn338 1.0 0.11979 0.20313 0.58995 1.0000 + Sn Sn339 1.0 0.08854 0.23438 0.58995 1.0000 + Sn Sn340 1.0 0.05729 0.26563 0.58995 1.0000 + Sn Sn341 1.0 0.02604 0.29688 0.58995 1.0000 + Sn Sn342 1.0 0.99479 0.32813 0.58995 1.0000 + Sn Sn343 1.0 0.96354 0.35938 0.58995 1.0000 + Sn Sn344 1.0 0.93229 0.39063 0.58995 1.0000 + Sn Sn345 1.0 0.90104 0.42188 0.58995 1.0000 + Sn Sn346 1.0 0.86979 0.45313 0.58995 1.0000 + Sn Sn347 1.0 0.83854 0.48438 0.58995 1.0000 + Sn Sn348 1.0 0.80729 0.51563 0.58995 1.0000 + Sn Sn349 1.0 0.77604 0.54688 0.58995 1.0000 + Sn Sn350 1.0 0.74479 0.57813 0.58995 1.0000 + Sn Sn351 1.0 0.71354 0.60938 0.58995 1.0000 + Sn Sn352 1.0 0.68229 0.64063 0.58995 1.0000 + Sn Sn353 1.0 0.18229 0.20313 0.58995 1.0000 + Sn Sn354 1.0 0.15104 0.23438 0.58995 1.0000 + Sn Sn355 1.0 0.11979 0.26563 0.58995 1.0000 + Sn Sn356 1.0 0.08854 0.29688 0.58995 1.0000 + Sn Sn357 1.0 0.05729 0.32813 0.58995 1.0000 + Sn Sn358 1.0 0.02604 0.35938 0.58995 1.0000 + Sn Sn359 1.0 0.99479 0.39063 0.58995 1.0000 + Sn Sn360 1.0 0.96354 0.42188 0.58995 1.0000 + Sn Sn361 1.0 0.93229 0.45313 0.58995 1.0000 + Sn Sn362 1.0 0.90104 0.48438 0.58995 1.0000 + Sn Sn363 1.0 0.86979 0.51563 0.58995 1.0000 + Sn Sn364 1.0 0.83854 0.54688 0.58995 1.0000 + Sn Sn365 1.0 0.80729 0.57813 0.58995 1.0000 + Sn Sn366 1.0 0.77604 0.60938 0.58995 1.0000 + Sn Sn367 1.0 0.74479 0.64063 0.58995 1.0000 + Sn Sn368 1.0 0.71354 0.67188 0.58995 1.0000 + Sn Sn369 1.0 0.21354 0.23438 0.58995 1.0000 + Sn Sn370 1.0 0.18229 0.26563 0.58995 1.0000 + Sn Sn371 1.0 0.15104 0.29688 0.58995 1.0000 + Sn Sn372 1.0 0.11979 0.32813 0.58995 1.0000 + Sn Sn373 1.0 0.08854 0.35938 0.58995 1.0000 + Sn Sn374 1.0 0.05729 0.39063 0.58995 1.0000 + Sn Sn375 1.0 0.02604 0.42188 0.58995 1.0000 + Sn Sn376 1.0 0.99479 0.45313 0.58995 1.0000 + Sn Sn377 1.0 0.96354 0.48438 0.58995 1.0000 + Sn Sn378 1.0 0.93229 0.51563 0.58995 1.0000 + Sn Sn379 1.0 0.90104 0.54688 0.58995 1.0000 + Sn Sn380 1.0 0.86979 0.57813 0.58995 1.0000 + Sn Sn381 1.0 0.83854 0.60938 0.58995 1.0000 + Sn Sn382 1.0 0.80729 0.64063 0.58995 1.0000 + Sn Sn383 1.0 0.77604 0.67188 0.58995 1.0000 + Sn Sn384 1.0 0.74479 0.70313 0.58995 1.0000 + Sn Sn385 1.0 0.24479 0.26563 0.58995 1.0000 + Sn Sn386 1.0 0.21354 0.29688 0.58995 1.0000 + Sn Sn387 1.0 0.18229 0.32813 0.58995 1.0000 + Sn Sn388 1.0 0.15104 0.35938 0.58995 1.0000 + Sn Sn389 1.0 0.11979 0.39063 0.58995 1.0000 + Sn Sn390 1.0 0.08854 0.42188 0.58995 1.0000 + Sn Sn391 1.0 0.05729 0.45313 0.58995 1.0000 + Sn Sn392 1.0 0.02604 0.48438 0.58995 1.0000 + Sn Sn393 1.0 0.99479 0.51563 0.58995 1.0000 + Sn Sn394 1.0 0.96354 0.54688 0.58995 1.0000 + Sn Sn395 1.0 0.93229 0.57813 0.58995 1.0000 + Sn Sn396 1.0 0.90104 0.60938 0.58995 1.0000 + Sn Sn397 1.0 0.86979 0.64063 0.58995 1.0000 + Sn Sn398 1.0 0.83854 0.67188 0.58995 1.0000 + Sn Sn399 1.0 0.80729 0.70313 0.58995 1.0000 + Sn Sn400 1.0 0.77604 0.73438 0.58995 1.0000 + Sn Sn401 1.0 0.27604 0.29688 0.58995 1.0000 + Sn Sn402 1.0 0.24479 0.32813 0.58995 1.0000 + Sn Sn403 1.0 0.21354 0.35938 0.58995 1.0000 + Sn Sn404 1.0 0.18229 0.39063 0.58995 1.0000 + Sn Sn405 1.0 0.15104 0.42188 0.58995 1.0000 + Sn Sn406 1.0 0.11979 0.45313 0.58995 1.0000 + Sn Sn407 1.0 0.08854 0.48438 0.58995 1.0000 + Sn Sn408 1.0 0.05729 0.51563 0.58995 1.0000 + Sn Sn409 1.0 0.02604 0.54688 0.58995 1.0000 + Sn Sn410 1.0 0.99479 0.57813 0.58995 1.0000 + Sn Sn411 1.0 0.96354 0.60938 0.58995 1.0000 + Sn Sn412 1.0 0.93229 0.64063 0.58995 1.0000 + Sn Sn413 1.0 0.90104 0.67188 0.58995 1.0000 + Sn Sn414 1.0 0.86979 0.70313 0.58995 1.0000 + Sn Sn415 1.0 0.83854 0.73438 0.58995 1.0000 + Sn Sn416 1.0 0.80729 0.76563 0.58995 1.0000 + Sn Sn417 1.0 0.30729 0.32813 0.58995 1.0000 + Sn Sn418 1.0 0.27604 0.35938 0.58995 1.0000 + Sn Sn419 1.0 0.24479 0.39063 0.58995 1.0000 + Sn Sn420 1.0 0.21354 0.42188 0.58995 1.0000 + Sn Sn421 1.0 0.18229 0.45313 0.58995 1.0000 + Sn Sn422 1.0 0.15104 0.48438 0.58995 1.0000 + Sn Sn423 1.0 0.11979 0.51563 0.58995 1.0000 + Sn Sn424 1.0 0.08854 0.54688 0.58995 1.0000 + Sn Sn425 1.0 0.05729 0.57813 0.58995 1.0000 + Sn Sn426 1.0 0.02604 0.60938 0.58995 1.0000 + Sn Sn427 1.0 0.99479 0.64063 0.58995 1.0000 + Sn Sn428 1.0 0.96354 0.67188 0.58995 1.0000 + Sn Sn429 1.0 0.93229 0.70313 0.58995 1.0000 + Sn Sn430 1.0 0.90104 0.73438 0.58995 1.0000 + Sn Sn431 1.0 0.86979 0.76563 0.58995 1.0000 + Sn Sn432 1.0 0.83854 0.79688 0.58995 1.0000 + Sn Sn433 1.0 0.33854 0.35938 0.58995 1.0000 + Sn Sn434 1.0 0.30729 0.39063 0.58995 1.0000 + Sn Sn435 1.0 0.27604 0.42188 0.58995 1.0000 + Sn Sn436 1.0 0.24479 0.45313 0.58995 1.0000 + Sn Sn437 1.0 0.21354 0.48438 0.58995 1.0000 + Sn Sn438 1.0 0.18229 0.51563 0.58995 1.0000 + Sn Sn439 1.0 0.15104 0.54688 0.58995 1.0000 + Sn Sn440 1.0 0.11979 0.57813 0.58995 1.0000 + Sn Sn441 1.0 0.08854 0.60938 0.58995 1.0000 + Sn Sn442 1.0 0.05729 0.64063 0.58995 1.0000 + Sn Sn443 1.0 0.02604 0.67188 0.58995 1.0000 + Sn Sn444 1.0 0.99479 0.70313 0.58995 1.0000 + Sn Sn445 1.0 0.96354 0.73438 0.58995 1.0000 + Sn Sn446 1.0 0.93229 0.76563 0.58995 1.0000 + Sn Sn447 1.0 0.90104 0.79688 0.58995 1.0000 + Sn Sn448 1.0 0.86979 0.82813 0.58995 1.0000 + Sn Sn449 1.0 0.36979 0.39063 0.58995 1.0000 + Sn Sn450 1.0 0.33854 0.42188 0.58995 1.0000 + Sn Sn451 1.0 0.30729 0.45313 0.58995 1.0000 + Sn Sn452 1.0 0.27604 0.48438 0.58995 1.0000 + Sn Sn453 1.0 0.24479 0.51563 0.58995 1.0000 + Sn Sn454 1.0 0.21354 0.54688 0.58995 1.0000 + Sn Sn455 1.0 0.18229 0.57813 0.58995 1.0000 + Sn Sn456 1.0 0.15104 0.60938 0.58995 1.0000 + Sn Sn457 1.0 0.11979 0.64063 0.58995 1.0000 + Sn Sn458 1.0 0.08854 0.67188 0.58995 1.0000 + Sn Sn459 1.0 0.05729 0.70313 0.58995 1.0000 + Sn Sn460 1.0 0.02604 0.73438 0.58995 1.0000 + Sn Sn461 1.0 0.99479 0.76563 0.58995 1.0000 + Sn Sn462 1.0 0.96354 0.79688 0.58995 1.0000 + Sn Sn463 1.0 0.93229 0.82813 0.58995 1.0000 + Sn Sn464 1.0 0.90104 0.85938 0.58995 1.0000 + Sn Sn465 1.0 0.40104 0.42188 0.58995 1.0000 + Sn Sn466 1.0 0.36979 0.45313 0.58995 1.0000 + Sn Sn467 1.0 0.33854 0.48438 0.58995 1.0000 + Sn Sn468 1.0 0.30729 0.51563 0.58995 1.0000 + Sn Sn469 1.0 0.27604 0.54688 0.58995 1.0000 + Sn Sn470 1.0 0.24479 0.57813 0.58995 1.0000 + Sn Sn471 1.0 0.21354 0.60938 0.58995 1.0000 + Sn Sn472 1.0 0.18229 0.64063 0.58995 1.0000 + Sn Sn473 1.0 0.15104 0.67188 0.58995 1.0000 + Sn Sn474 1.0 0.11979 0.70313 0.58995 1.0000 + Sn Sn475 1.0 0.08854 0.73438 0.58995 1.0000 + Sn Sn476 1.0 0.05729 0.76563 0.58995 1.0000 + Sn Sn477 1.0 0.02604 0.79688 0.58995 1.0000 + Sn Sn478 1.0 0.99479 0.82813 0.58995 1.0000 + Sn Sn479 1.0 0.96354 0.85938 0.58995 1.0000 + Sn Sn480 1.0 0.93229 0.89063 0.58995 1.0000 + Sn Sn481 1.0 0.43229 0.45313 0.58995 1.0000 + Sn Sn482 1.0 0.40104 0.48438 0.58995 1.0000 + Sn Sn483 1.0 0.36979 0.51563 0.58995 1.0000 + Sn Sn484 1.0 0.33854 0.54688 0.58995 1.0000 + Sn Sn485 1.0 0.30729 0.57813 0.58995 1.0000 + Sn Sn486 1.0 0.27604 0.60938 0.58995 1.0000 + Sn Sn487 1.0 0.24479 0.64063 0.58995 1.0000 + Sn Sn488 1.0 0.21354 0.67188 0.58995 1.0000 + Sn Sn489 1.0 0.18229 0.70313 0.58995 1.0000 + Sn Sn490 1.0 0.15104 0.73438 0.58995 1.0000 + Sn Sn491 1.0 0.11979 0.76563 0.58995 1.0000 + Sn Sn492 1.0 0.08854 0.79688 0.58995 1.0000 + Sn Sn493 1.0 0.05729 0.82813 0.58995 1.0000 + Sn Sn494 1.0 0.02604 0.85938 0.58995 1.0000 + Sn Sn495 1.0 0.99479 0.89063 0.58995 1.0000 + Sn Sn496 1.0 0.96354 0.92188 0.58995 1.0000 + Sn Sn497 1.0 0.46354 0.48438 0.58995 1.0000 + Sn Sn498 1.0 0.43229 0.51563 0.58995 1.0000 + Sn Sn499 1.0 0.40104 0.54688 0.58995 1.0000 + Sn Sn500 1.0 0.36979 0.57813 0.58995 1.0000 + Sn Sn501 1.0 0.33854 0.60938 0.58995 1.0000 + Sn Sn502 1.0 0.30729 0.64063 0.58995 1.0000 + Sn Sn503 1.0 0.27604 0.67188 0.58995 1.0000 + Sn Sn504 1.0 0.24479 0.70313 0.58995 1.0000 + Sn Sn505 1.0 0.21354 0.73438 0.58995 1.0000 + Sn Sn506 1.0 0.18229 0.76563 0.58995 1.0000 + Sn Sn507 1.0 0.15104 0.79688 0.58995 1.0000 + Sn Sn508 1.0 0.11979 0.82813 0.58995 1.0000 + Sn Sn509 1.0 0.08854 0.85938 0.58995 1.0000 + Sn Sn510 1.0 0.05729 0.89063 0.58995 1.0000 + Sn Sn511 1.0 0.02604 0.92188 0.58995 1.0000 + Sn Sn512 1.0 0.99479 0.95313 0.58995 1.0000 + Sn Sn513 1.0 0.50521 0.54687 0.41005 1.0000 + Sn Sn514 1.0 0.47396 0.57812 0.41005 1.0000 + Sn Sn515 1.0 0.44271 0.60937 0.41005 1.0000 + Sn Sn516 1.0 0.41146 0.64062 0.41005 1.0000 + Sn Sn517 1.0 0.38021 0.67187 0.41005 1.0000 + Sn Sn518 1.0 0.34896 0.70312 0.41005 1.0000 + Sn Sn519 1.0 0.31771 0.73437 0.41005 1.0000 + Sn Sn520 1.0 0.28646 0.76562 0.41005 1.0000 + Sn Sn521 1.0 0.25521 0.79687 0.41005 1.0000 + Sn Sn522 1.0 0.22396 0.82812 0.41005 1.0000 + Sn Sn523 1.0 0.19271 0.85937 0.41005 1.0000 + Sn Sn524 1.0 0.16146 0.89062 0.41005 1.0000 + Sn Sn525 1.0 0.13021 0.92187 0.41005 1.0000 + Sn Sn526 1.0 0.09896 0.95312 0.41005 1.0000 + Sn Sn527 1.0 0.06771 0.98437 0.41005 1.0000 + Sn Sn528 1.0 0.03646 0.01562 0.41005 1.0000 + Sn Sn529 1.0 0.53646 0.57812 0.41005 1.0000 + Sn Sn530 1.0 0.50521 0.60937 0.41005 1.0000 + Sn Sn531 1.0 0.47396 0.64062 0.41005 1.0000 + Sn Sn532 1.0 0.44271 0.67187 0.41005 1.0000 + Sn Sn533 1.0 0.41146 0.70312 0.41005 1.0000 + Sn Sn534 1.0 0.38021 0.73437 0.41005 1.0000 + Sn Sn535 1.0 0.34896 0.76562 0.41005 1.0000 + Sn Sn536 1.0 0.31771 0.79687 0.41005 1.0000 + Sn Sn537 1.0 0.28646 0.82812 0.41005 1.0000 + Sn Sn538 1.0 0.25521 0.85937 0.41005 1.0000 + Sn Sn539 1.0 0.22396 0.89062 0.41005 1.0000 + Sn Sn540 1.0 0.19271 0.92187 0.41005 1.0000 + Sn Sn541 1.0 0.16146 0.95312 0.41005 1.0000 + Sn Sn542 1.0 0.13021 0.98437 0.41005 1.0000 + Sn Sn543 1.0 0.09896 0.01562 0.41005 1.0000 + Sn Sn544 1.0 0.06771 0.04687 0.41005 1.0000 + Sn Sn545 1.0 0.56771 0.60937 0.41005 1.0000 + Sn Sn546 1.0 0.53646 0.64062 0.41005 1.0000 + Sn Sn547 1.0 0.50521 0.67187 0.41005 1.0000 + Sn Sn548 1.0 0.47396 0.70312 0.41005 1.0000 + Sn Sn549 1.0 0.44271 0.73437 0.41005 1.0000 + Sn Sn550 1.0 0.41146 0.76562 0.41005 1.0000 + Sn Sn551 1.0 0.38021 0.79687 0.41005 1.0000 + Sn Sn552 1.0 0.34896 0.82812 0.41005 1.0000 + Sn Sn553 1.0 0.31771 0.85937 0.41005 1.0000 + Sn Sn554 1.0 0.28646 0.89062 0.41005 1.0000 + Sn Sn555 1.0 0.25521 0.92187 0.41005 1.0000 + Sn Sn556 1.0 0.22396 0.95312 0.41005 1.0000 + Sn Sn557 1.0 0.19271 0.98437 0.41005 1.0000 + Sn Sn558 1.0 0.16146 0.01562 0.41005 1.0000 + Sn Sn559 1.0 0.13021 0.04687 0.41005 1.0000 + Sn Sn560 1.0 0.09896 0.07812 0.41005 1.0000 + Sn Sn561 1.0 0.59896 0.64062 0.41005 1.0000 + Sn Sn562 1.0 0.56771 0.67187 0.41005 1.0000 + Sn Sn563 1.0 0.53646 0.70312 0.41005 1.0000 + Sn Sn564 1.0 0.50521 0.73437 0.41005 1.0000 + Sn Sn565 1.0 0.47396 0.76562 0.41005 1.0000 + Sn Sn566 1.0 0.44271 0.79687 0.41005 1.0000 + Sn Sn567 1.0 0.41146 0.82812 0.41005 1.0000 + Sn Sn568 1.0 0.38021 0.85937 0.41005 1.0000 + Sn Sn569 1.0 0.34896 0.89062 0.41005 1.0000 + Sn Sn570 1.0 0.31771 0.92187 0.41005 1.0000 + Sn Sn571 1.0 0.28646 0.95312 0.41005 1.0000 + Sn Sn572 1.0 0.25521 0.98437 0.41005 1.0000 + Sn Sn573 1.0 0.22396 0.01562 0.41005 1.0000 + Sn Sn574 1.0 0.19271 0.04687 0.41005 1.0000 + Sn Sn575 1.0 0.16146 0.07812 0.41005 1.0000 + Sn Sn576 1.0 0.13021 0.10937 0.41005 1.0000 + Sn Sn577 1.0 0.63021 0.67187 0.41005 1.0000 + Sn Sn578 1.0 0.59896 0.70312 0.41005 1.0000 + Sn Sn579 1.0 0.56771 0.73437 0.41005 1.0000 + Sn Sn580 1.0 0.53646 0.76562 0.41005 1.0000 + Sn Sn581 1.0 0.50521 0.79687 0.41005 1.0000 + Sn Sn582 1.0 0.47396 0.82812 0.41005 1.0000 + Sn Sn583 1.0 0.44271 0.85937 0.41005 1.0000 + Sn Sn584 1.0 0.41146 0.89062 0.41005 1.0000 + Sn Sn585 1.0 0.38021 0.92187 0.41005 1.0000 + Sn Sn586 1.0 0.34896 0.95312 0.41005 1.0000 + Sn Sn587 1.0 0.31771 0.98437 0.41005 1.0000 + Sn Sn588 1.0 0.28646 0.01562 0.41005 1.0000 + Sn Sn589 1.0 0.25521 0.04687 0.41005 1.0000 + Sn Sn590 1.0 0.22396 0.07812 0.41005 1.0000 + Sn Sn591 1.0 0.19271 0.10937 0.41005 1.0000 + Sn Sn592 1.0 0.16146 0.14062 0.41005 1.0000 + Sn Sn593 1.0 0.66146 0.70312 0.41005 1.0000 + Sn Sn594 1.0 0.63021 0.73437 0.41005 1.0000 + Sn Sn595 1.0 0.59896 0.76562 0.41005 1.0000 + Sn Sn596 1.0 0.56771 0.79687 0.41005 1.0000 + Sn Sn597 1.0 0.53646 0.82812 0.41005 1.0000 + Sn Sn598 1.0 0.50521 0.85937 0.41005 1.0000 + Sn Sn599 1.0 0.47396 0.89062 0.41005 1.0000 + Sn Sn600 1.0 0.44271 0.92187 0.41005 1.0000 + Sn Sn601 1.0 0.41146 0.95312 0.41005 1.0000 + Sn Sn602 1.0 0.38021 0.98437 0.41005 1.0000 + Sn Sn603 1.0 0.34896 0.01562 0.41005 1.0000 + Sn Sn604 1.0 0.31771 0.04687 0.41005 1.0000 + Sn Sn605 1.0 0.28646 0.07812 0.41005 1.0000 + Sn Sn606 1.0 0.25521 0.10937 0.41005 1.0000 + Sn Sn607 1.0 0.22396 0.14062 0.41005 1.0000 + Sn Sn608 1.0 0.19271 0.17187 0.41005 1.0000 + Sn Sn609 1.0 0.69271 0.73437 0.41005 1.0000 + Sn Sn610 1.0 0.66146 0.76562 0.41005 1.0000 + Sn Sn611 1.0 0.63021 0.79687 0.41005 1.0000 + Sn Sn612 1.0 0.59896 0.82812 0.41005 1.0000 + Sn Sn613 1.0 0.56771 0.85937 0.41005 1.0000 + Sn Sn614 1.0 0.53646 0.89062 0.41005 1.0000 + Sn Sn615 1.0 0.50521 0.92187 0.41005 1.0000 + Sn Sn616 1.0 0.47396 0.95312 0.41005 1.0000 + Sn Sn617 1.0 0.44271 0.98437 0.41005 1.0000 + Sn Sn618 1.0 0.41146 0.01562 0.41005 1.0000 + Sn Sn619 1.0 0.38021 0.04687 0.41005 1.0000 + Sn Sn620 1.0 0.34896 0.07812 0.41005 1.0000 + Sn Sn621 1.0 0.31771 0.10937 0.41005 1.0000 + Sn Sn622 1.0 0.28646 0.14062 0.41005 1.0000 + Sn Sn623 1.0 0.25521 0.17187 0.41005 1.0000 + Sn Sn624 1.0 0.22396 0.20312 0.41005 1.0000 + Sn Sn625 1.0 0.72396 0.76562 0.41005 1.0000 + Sn Sn626 1.0 0.69271 0.79687 0.41005 1.0000 + Sn Sn627 1.0 0.66146 0.82812 0.41005 1.0000 + Sn Sn628 1.0 0.63021 0.85937 0.41005 1.0000 + Sn Sn629 1.0 0.59896 0.89062 0.41005 1.0000 + Sn Sn630 1.0 0.56771 0.92187 0.41005 1.0000 + Sn Sn631 1.0 0.53646 0.95312 0.41005 1.0000 + Sn Sn632 1.0 0.50521 0.98437 0.41005 1.0000 + Sn Sn633 1.0 0.47396 0.01562 0.41005 1.0000 + Sn Sn634 1.0 0.44271 0.04687 0.41005 1.0000 + Sn Sn635 1.0 0.41146 0.07812 0.41005 1.0000 + Sn Sn636 1.0 0.38021 0.10937 0.41005 1.0000 + Sn Sn637 1.0 0.34896 0.14062 0.41005 1.0000 + Sn Sn638 1.0 0.31771 0.17187 0.41005 1.0000 + Sn Sn639 1.0 0.28646 0.20312 0.41005 1.0000 + Sn Sn640 1.0 0.25521 0.23437 0.41005 1.0000 + Sn Sn641 1.0 0.75521 0.79687 0.41005 1.0000 + Sn Sn642 1.0 0.72396 0.82812 0.41005 1.0000 + Sn Sn643 1.0 0.69271 0.85937 0.41005 1.0000 + Sn Sn644 1.0 0.66146 0.89062 0.41005 1.0000 + Sn Sn645 1.0 0.63021 0.92187 0.41005 1.0000 + Sn Sn646 1.0 0.59896 0.95312 0.41005 1.0000 + Sn Sn647 1.0 0.56771 0.98437 0.41005 1.0000 + Sn Sn648 1.0 0.53646 0.01562 0.41005 1.0000 + Sn Sn649 1.0 0.50521 0.04687 0.41005 1.0000 + Sn Sn650 1.0 0.47396 0.07812 0.41005 1.0000 + Sn Sn651 1.0 0.44271 0.10937 0.41005 1.0000 + Sn Sn652 1.0 0.41146 0.14062 0.41005 1.0000 + Sn Sn653 1.0 0.38021 0.17187 0.41005 1.0000 + Sn Sn654 1.0 0.34896 0.20312 0.41005 1.0000 + Sn Sn655 1.0 0.31771 0.23437 0.41005 1.0000 + Sn Sn656 1.0 0.28646 0.26562 0.41005 1.0000 + Sn Sn657 1.0 0.78646 0.82812 0.41005 1.0000 + Sn Sn658 1.0 0.75521 0.85937 0.41005 1.0000 + Sn Sn659 1.0 0.72396 0.89062 0.41005 1.0000 + Sn Sn660 1.0 0.69271 0.92187 0.41005 1.0000 + Sn Sn661 1.0 0.66146 0.95312 0.41005 1.0000 + Sn Sn662 1.0 0.63021 0.98437 0.41005 1.0000 + Sn Sn663 1.0 0.59896 0.01562 0.41005 1.0000 + Sn Sn664 1.0 0.56771 0.04687 0.41005 1.0000 + Sn Sn665 1.0 0.53646 0.07812 0.41005 1.0000 + Sn Sn666 1.0 0.50521 0.10937 0.41005 1.0000 + Sn Sn667 1.0 0.47396 0.14062 0.41005 1.0000 + Sn Sn668 1.0 0.44271 0.17187 0.41005 1.0000 + Sn Sn669 1.0 0.41146 0.20312 0.41005 1.0000 + Sn Sn670 1.0 0.38021 0.23437 0.41005 1.0000 + Sn Sn671 1.0 0.34896 0.26562 0.41005 1.0000 + Sn Sn672 1.0 0.31771 0.29687 0.41005 1.0000 + Sn Sn673 1.0 0.81771 0.85937 0.41005 1.0000 + Sn Sn674 1.0 0.78646 0.89062 0.41005 1.0000 + Sn Sn675 1.0 0.75521 0.92187 0.41005 1.0000 + Sn Sn676 1.0 0.72396 0.95312 0.41005 1.0000 + Sn Sn677 1.0 0.69271 0.98437 0.41005 1.0000 + Sn Sn678 1.0 0.66146 0.01562 0.41005 1.0000 + Sn Sn679 1.0 0.63021 0.04687 0.41005 1.0000 + Sn Sn680 1.0 0.59896 0.07812 0.41005 1.0000 + Sn Sn681 1.0 0.56771 0.10937 0.41005 1.0000 + Sn Sn682 1.0 0.53646 0.14062 0.41005 1.0000 + Sn Sn683 1.0 0.50521 0.17187 0.41005 1.0000 + Sn Sn684 1.0 0.47396 0.20312 0.41005 1.0000 + Sn Sn685 1.0 0.44271 0.23437 0.41005 1.0000 + Sn Sn686 1.0 0.41146 0.26562 0.41005 1.0000 + Sn Sn687 1.0 0.38021 0.29687 0.41005 1.0000 + Sn Sn688 1.0 0.34896 0.32812 0.41005 1.0000 + Sn Sn689 1.0 0.84896 0.89062 0.41005 1.0000 + Sn Sn690 1.0 0.81771 0.92187 0.41005 1.0000 + Sn Sn691 1.0 0.78646 0.95312 0.41005 1.0000 + Sn Sn692 1.0 0.75521 0.98437 0.41005 1.0000 + Sn Sn693 1.0 0.72396 0.01562 0.41005 1.0000 + Sn Sn694 1.0 0.69271 0.04687 0.41005 1.0000 + Sn Sn695 1.0 0.66146 0.07812 0.41005 1.0000 + Sn Sn696 1.0 0.63021 0.10937 0.41005 1.0000 + Sn Sn697 1.0 0.59896 0.14062 0.41005 1.0000 + Sn Sn698 1.0 0.56771 0.17187 0.41005 1.0000 + Sn Sn699 1.0 0.53646 0.20312 0.41005 1.0000 + Sn Sn700 1.0 0.50521 0.23437 0.41005 1.0000 + Sn Sn701 1.0 0.47396 0.26562 0.41005 1.0000 + Sn Sn702 1.0 0.44271 0.29687 0.41005 1.0000 + Sn Sn703 1.0 0.41146 0.32812 0.41005 1.0000 + Sn Sn704 1.0 0.38021 0.35937 0.41005 1.0000 + Sn Sn705 1.0 0.88021 0.92187 0.41005 1.0000 + Sn Sn706 1.0 0.84896 0.95312 0.41005 1.0000 + Sn Sn707 1.0 0.81771 0.98437 0.41005 1.0000 + Sn Sn708 1.0 0.78646 0.01562 0.41005 1.0000 + Sn Sn709 1.0 0.75521 0.04687 0.41005 1.0000 + Sn Sn710 1.0 0.72396 0.07812 0.41005 1.0000 + Sn Sn711 1.0 0.69271 0.10937 0.41005 1.0000 + Sn Sn712 1.0 0.66146 0.14062 0.41005 1.0000 + Sn Sn713 1.0 0.63021 0.17187 0.41005 1.0000 + Sn Sn714 1.0 0.59896 0.20312 0.41005 1.0000 + Sn Sn715 1.0 0.56771 0.23437 0.41005 1.0000 + Sn Sn716 1.0 0.53646 0.26562 0.41005 1.0000 + Sn Sn717 1.0 0.50521 0.29687 0.41005 1.0000 + Sn Sn718 1.0 0.47396 0.32812 0.41005 1.0000 + Sn Sn719 1.0 0.44271 0.35937 0.41005 1.0000 + Sn Sn720 1.0 0.41146 0.39062 0.41005 1.0000 + Sn Sn721 1.0 0.91146 0.95312 0.41005 1.0000 + Sn Sn722 1.0 0.88021 0.98437 0.41005 1.0000 + Sn Sn723 1.0 0.84896 0.01562 0.41005 1.0000 + Sn Sn724 1.0 0.81771 0.04687 0.41005 1.0000 + Sn Sn725 1.0 0.78646 0.07812 0.41005 1.0000 + Sn Sn726 1.0 0.75521 0.10937 0.41005 1.0000 + Sn Sn727 1.0 0.72396 0.14062 0.41005 1.0000 + Sn Sn728 1.0 0.69271 0.17187 0.41005 1.0000 + Sn Sn729 1.0 0.66146 0.20312 0.41005 1.0000 + Sn Sn730 1.0 0.63021 0.23437 0.41005 1.0000 + Sn Sn731 1.0 0.59896 0.26562 0.41005 1.0000 + Sn Sn732 1.0 0.56771 0.29687 0.41005 1.0000 + Sn Sn733 1.0 0.53646 0.32812 0.41005 1.0000 + Sn Sn734 1.0 0.50521 0.35937 0.41005 1.0000 + Sn Sn735 1.0 0.47396 0.39062 0.41005 1.0000 + Sn Sn736 1.0 0.44271 0.42187 0.41005 1.0000 + Sn Sn737 1.0 0.94271 0.98437 0.41005 1.0000 + Sn Sn738 1.0 0.91146 0.01562 0.41005 1.0000 + Sn Sn739 1.0 0.88021 0.04687 0.41005 1.0000 + Sn Sn740 1.0 0.84896 0.07812 0.41005 1.0000 + Sn Sn741 1.0 0.81771 0.10937 0.41005 1.0000 + Sn Sn742 1.0 0.78646 0.14062 0.41005 1.0000 + Sn Sn743 1.0 0.75521 0.17187 0.41005 1.0000 + Sn Sn744 1.0 0.72396 0.20312 0.41005 1.0000 + Sn Sn745 1.0 0.69271 0.23437 0.41005 1.0000 + Sn Sn746 1.0 0.66146 0.26562 0.41005 1.0000 + Sn Sn747 1.0 0.63021 0.29687 0.41005 1.0000 + Sn Sn748 1.0 0.59896 0.32812 0.41005 1.0000 + Sn Sn749 1.0 0.56771 0.35937 0.41005 1.0000 + Sn Sn750 1.0 0.53646 0.39062 0.41005 1.0000 + Sn Sn751 1.0 0.50521 0.42187 0.41005 1.0000 + Sn Sn752 1.0 0.47396 0.45312 0.41005 1.0000 + Sn Sn753 1.0 0.97396 0.01562 0.41005 1.0000 + Sn Sn754 1.0 0.94271 0.04687 0.41005 1.0000 + Sn Sn755 1.0 0.91146 0.07812 0.41005 1.0000 + Sn Sn756 1.0 0.88021 0.10937 0.41005 1.0000 + Sn Sn757 1.0 0.84896 0.14062 0.41005 1.0000 + Sn Sn758 1.0 0.81771 0.17187 0.41005 1.0000 + Sn Sn759 1.0 0.78646 0.20312 0.41005 1.0000 + Sn Sn760 1.0 0.75521 0.23437 0.41005 1.0000 + Sn Sn761 1.0 0.72396 0.26562 0.41005 1.0000 + Sn Sn762 1.0 0.69271 0.29687 0.41005 1.0000 + Sn Sn763 1.0 0.66146 0.32812 0.41005 1.0000 + Sn Sn764 1.0 0.63021 0.35937 0.41005 1.0000 + Sn Sn765 1.0 0.59896 0.39062 0.41005 1.0000 + Sn Sn766 1.0 0.56771 0.42187 0.41005 1.0000 + Sn Sn767 1.0 0.53646 0.45312 0.41005 1.0000 + Sn Sn768 1.0 0.50521 0.48437 0.41005 1.0000 + Sn Sn769 1.0 0.49479 0.51563 0.58995 1.0000 + Sn Sn770 1.0 0.46354 0.54688 0.58995 1.0000 + Sn Sn771 1.0 0.43229 0.57813 0.58995 1.0000 + Sn Sn772 1.0 0.40104 0.60938 0.58995 1.0000 + Sn Sn773 1.0 0.36979 0.64063 0.58995 1.0000 + Sn Sn774 1.0 0.33854 0.67188 0.58995 1.0000 + Sn Sn775 1.0 0.30729 0.70313 0.58995 1.0000 + Sn Sn776 1.0 0.27604 0.73438 0.58995 1.0000 + Sn Sn777 1.0 0.24479 0.76563 0.58995 1.0000 + Sn Sn778 1.0 0.21354 0.79688 0.58995 1.0000 + Sn Sn779 1.0 0.18229 0.82813 0.58995 1.0000 + Sn Sn780 1.0 0.15104 0.85938 0.58995 1.0000 + Sn Sn781 1.0 0.11979 0.89063 0.58995 1.0000 + Sn Sn782 1.0 0.08854 0.92188 0.58995 1.0000 + Sn Sn783 1.0 0.05729 0.95313 0.58995 1.0000 + Sn Sn784 1.0 0.02604 0.98438 0.58995 1.0000 + Sn Sn785 1.0 0.52604 0.54688 0.58995 1.0000 + Sn Sn786 1.0 0.49479 0.57813 0.58995 1.0000 + Sn Sn787 1.0 0.46354 0.60938 0.58995 1.0000 + Sn Sn788 1.0 0.43229 0.64063 0.58995 1.0000 + Sn Sn789 1.0 0.40104 0.67188 0.58995 1.0000 + Sn Sn790 1.0 0.36979 0.70313 0.58995 1.0000 + Sn Sn791 1.0 0.33854 0.73438 0.58995 1.0000 + Sn Sn792 1.0 0.30729 0.76563 0.58995 1.0000 + Sn Sn793 1.0 0.27604 0.79688 0.58995 1.0000 + Sn Sn794 1.0 0.24479 0.82813 0.58995 1.0000 + Sn Sn795 1.0 0.21354 0.85938 0.58995 1.0000 + Sn Sn796 1.0 0.18229 0.89063 0.58995 1.0000 + Sn Sn797 1.0 0.15104 0.92188 0.58995 1.0000 + Sn Sn798 1.0 0.11979 0.95313 0.58995 1.0000 + Sn Sn799 1.0 0.08854 0.98438 0.58995 1.0000 + Sn Sn800 1.0 0.05729 0.01563 0.58995 1.0000 + Sn Sn801 1.0 0.55729 0.57813 0.58995 1.0000 + Sn Sn802 1.0 0.52604 0.60938 0.58995 1.0000 + Sn Sn803 1.0 0.49479 0.64063 0.58995 1.0000 + Sn Sn804 1.0 0.46354 0.67188 0.58995 1.0000 + Sn Sn805 1.0 0.43229 0.70313 0.58995 1.0000 + Sn Sn806 1.0 0.40104 0.73438 0.58995 1.0000 + Sn Sn807 1.0 0.36979 0.76563 0.58995 1.0000 + Sn Sn808 1.0 0.33854 0.79688 0.58995 1.0000 + Sn Sn809 1.0 0.30729 0.82813 0.58995 1.0000 + Sn Sn810 1.0 0.27604 0.85938 0.58995 1.0000 + Sn Sn811 1.0 0.24479 0.89063 0.58995 1.0000 + Sn Sn812 1.0 0.21354 0.92188 0.58995 1.0000 + Sn Sn813 1.0 0.18229 0.95313 0.58995 1.0000 + Sn Sn814 1.0 0.15104 0.98438 0.58995 1.0000 + Sn Sn815 1.0 0.11979 0.01563 0.58995 1.0000 + Sn Sn816 1.0 0.08854 0.04688 0.58995 1.0000 + Sn Sn817 1.0 0.58854 0.60938 0.58995 1.0000 + Sn Sn818 1.0 0.55729 0.64063 0.58995 1.0000 + Sn Sn819 1.0 0.52604 0.67188 0.58995 1.0000 + Sn Sn820 1.0 0.49479 0.70313 0.58995 1.0000 + Sn Sn821 1.0 0.46354 0.73438 0.58995 1.0000 + Sn Sn822 1.0 0.43229 0.76563 0.58995 1.0000 + Sn Sn823 1.0 0.40104 0.79688 0.58995 1.0000 + Sn Sn824 1.0 0.36979 0.82813 0.58995 1.0000 + Sn Sn825 1.0 0.33854 0.85938 0.58995 1.0000 + Sn Sn826 1.0 0.30729 0.89063 0.58995 1.0000 + Sn Sn827 1.0 0.27604 0.92188 0.58995 1.0000 + Sn Sn828 1.0 0.24479 0.95313 0.58995 1.0000 + Sn Sn829 1.0 0.21354 0.98438 0.58995 1.0000 + Sn Sn830 1.0 0.18229 0.01563 0.58995 1.0000 + Sn Sn831 1.0 0.15104 0.04688 0.58995 1.0000 + Sn Sn832 1.0 0.11979 0.07813 0.58995 1.0000 + Sn Sn833 1.0 0.61979 0.64063 0.58995 1.0000 + Sn Sn834 1.0 0.58854 0.67188 0.58995 1.0000 + Sn Sn835 1.0 0.55729 0.70313 0.58995 1.0000 + Sn Sn836 1.0 0.52604 0.73438 0.58995 1.0000 + Sn Sn837 1.0 0.49479 0.76563 0.58995 1.0000 + Sn Sn838 1.0 0.46354 0.79688 0.58995 1.0000 + Sn Sn839 1.0 0.43229 0.82813 0.58995 1.0000 + Sn Sn840 1.0 0.40104 0.85938 0.58995 1.0000 + Sn Sn841 1.0 0.36979 0.89063 0.58995 1.0000 + Sn Sn842 1.0 0.33854 0.92188 0.58995 1.0000 + Sn Sn843 1.0 0.30729 0.95313 0.58995 1.0000 + Sn Sn844 1.0 0.27604 0.98438 0.58995 1.0000 + Sn Sn845 1.0 0.24479 0.01563 0.58995 1.0000 + Sn Sn846 1.0 0.21354 0.04688 0.58995 1.0000 + Sn Sn847 1.0 0.18229 0.07813 0.58995 1.0000 + Sn Sn848 1.0 0.15104 0.10938 0.58995 1.0000 + Sn Sn849 1.0 0.65104 0.67188 0.58995 1.0000 + Sn Sn850 1.0 0.61979 0.70313 0.58995 1.0000 + Sn Sn851 1.0 0.58854 0.73438 0.58995 1.0000 + Sn Sn852 1.0 0.55729 0.76563 0.58995 1.0000 + Sn Sn853 1.0 0.52604 0.79688 0.58995 1.0000 + Sn Sn854 1.0 0.49479 0.82813 0.58995 1.0000 + Sn Sn855 1.0 0.46354 0.85938 0.58995 1.0000 + Sn Sn856 1.0 0.43229 0.89063 0.58995 1.0000 + Sn Sn857 1.0 0.40104 0.92188 0.58995 1.0000 + Sn Sn858 1.0 0.36979 0.95313 0.58995 1.0000 + Sn Sn859 1.0 0.33854 0.98438 0.58995 1.0000 + Sn Sn860 1.0 0.30729 0.01563 0.58995 1.0000 + Sn Sn861 1.0 0.27604 0.04688 0.58995 1.0000 + Sn Sn862 1.0 0.24479 0.07813 0.58995 1.0000 + Sn Sn863 1.0 0.21354 0.10938 0.58995 1.0000 + Sn Sn864 1.0 0.18229 0.14063 0.58995 1.0000 + Sn Sn865 1.0 0.68229 0.70313 0.58995 1.0000 + Sn Sn866 1.0 0.65104 0.73438 0.58995 1.0000 + Sn Sn867 1.0 0.61979 0.76563 0.58995 1.0000 + Sn Sn868 1.0 0.58854 0.79688 0.58995 1.0000 + Sn Sn869 1.0 0.55729 0.82813 0.58995 1.0000 + Sn Sn870 1.0 0.52604 0.85938 0.58995 1.0000 + Sn Sn871 1.0 0.49479 0.89063 0.58995 1.0000 + Sn Sn872 1.0 0.46354 0.92188 0.58995 1.0000 + Sn Sn873 1.0 0.43229 0.95313 0.58995 1.0000 + Sn Sn874 1.0 0.40104 0.98438 0.58995 1.0000 + Sn Sn875 1.0 0.36979 0.01563 0.58995 1.0000 + Sn Sn876 1.0 0.33854 0.04688 0.58995 1.0000 + Sn Sn877 1.0 0.30729 0.07813 0.58995 1.0000 + Sn Sn878 1.0 0.27604 0.10938 0.58995 1.0000 + Sn Sn879 1.0 0.24479 0.14063 0.58995 1.0000 + Sn Sn880 1.0 0.21354 0.17188 0.58995 1.0000 + Sn Sn881 1.0 0.71354 0.73438 0.58995 1.0000 + Sn Sn882 1.0 0.68229 0.76563 0.58995 1.0000 + Sn Sn883 1.0 0.65104 0.79688 0.58995 1.0000 + Sn Sn884 1.0 0.61979 0.82813 0.58995 1.0000 + Sn Sn885 1.0 0.58854 0.85938 0.58995 1.0000 + Sn Sn886 1.0 0.55729 0.89063 0.58995 1.0000 + Sn Sn887 1.0 0.52604 0.92188 0.58995 1.0000 + Sn Sn888 1.0 0.49479 0.95313 0.58995 1.0000 + Sn Sn889 1.0 0.46354 0.98438 0.58995 1.0000 + Sn Sn890 1.0 0.43229 0.01563 0.58995 1.0000 + Sn Sn891 1.0 0.40104 0.04688 0.58995 1.0000 + Sn Sn892 1.0 0.36979 0.07813 0.58995 1.0000 + Sn Sn893 1.0 0.33854 0.10938 0.58995 1.0000 + Sn Sn894 1.0 0.30729 0.14063 0.58995 1.0000 + Sn Sn895 1.0 0.27604 0.17188 0.58995 1.0000 + Sn Sn896 1.0 0.24479 0.20313 0.58995 1.0000 + Sn Sn897 1.0 0.74479 0.76563 0.58995 1.0000 + Sn Sn898 1.0 0.71354 0.79688 0.58995 1.0000 + Sn Sn899 1.0 0.68229 0.82813 0.58995 1.0000 + Sn Sn900 1.0 0.65104 0.85938 0.58995 1.0000 + Sn Sn901 1.0 0.61979 0.89063 0.58995 1.0000 + Sn Sn902 1.0 0.58854 0.92188 0.58995 1.0000 + Sn Sn903 1.0 0.55729 0.95313 0.58995 1.0000 + Sn Sn904 1.0 0.52604 0.98438 0.58995 1.0000 + Sn Sn905 1.0 0.49479 0.01563 0.58995 1.0000 + Sn Sn906 1.0 0.46354 0.04688 0.58995 1.0000 + Sn Sn907 1.0 0.43229 0.07813 0.58995 1.0000 + Sn Sn908 1.0 0.40104 0.10938 0.58995 1.0000 + Sn Sn909 1.0 0.36979 0.14063 0.58995 1.0000 + Sn Sn910 1.0 0.33854 0.17188 0.58995 1.0000 + Sn Sn911 1.0 0.30729 0.20313 0.58995 1.0000 + Sn Sn912 1.0 0.27604 0.23438 0.58995 1.0000 + Sn Sn913 1.0 0.77604 0.79688 0.58995 1.0000 + Sn Sn914 1.0 0.74479 0.82813 0.58995 1.0000 + Sn Sn915 1.0 0.71354 0.85938 0.58995 1.0000 + Sn Sn916 1.0 0.68229 0.89063 0.58995 1.0000 + Sn Sn917 1.0 0.65104 0.92188 0.58995 1.0000 + Sn Sn918 1.0 0.61979 0.95313 0.58995 1.0000 + Sn Sn919 1.0 0.58854 0.98438 0.58995 1.0000 + Sn Sn920 1.0 0.55729 0.01563 0.58995 1.0000 + Sn Sn921 1.0 0.52604 0.04688 0.58995 1.0000 + Sn Sn922 1.0 0.49479 0.07813 0.58995 1.0000 + Sn Sn923 1.0 0.46354 0.10938 0.58995 1.0000 + Sn Sn924 1.0 0.43229 0.14063 0.58995 1.0000 + Sn Sn925 1.0 0.40104 0.17188 0.58995 1.0000 + Sn Sn926 1.0 0.36979 0.20313 0.58995 1.0000 + Sn Sn927 1.0 0.33854 0.23438 0.58995 1.0000 + Sn Sn928 1.0 0.30729 0.26563 0.58995 1.0000 + Sn Sn929 1.0 0.80729 0.82813 0.58995 1.0000 + Sn Sn930 1.0 0.77604 0.85938 0.58995 1.0000 + Sn Sn931 1.0 0.74479 0.89063 0.58995 1.0000 + Sn Sn932 1.0 0.71354 0.92188 0.58995 1.0000 + Sn Sn933 1.0 0.68229 0.95313 0.58995 1.0000 + Sn Sn934 1.0 0.65104 0.98438 0.58995 1.0000 + Sn Sn935 1.0 0.61979 0.01563 0.58995 1.0000 + Sn Sn936 1.0 0.58854 0.04688 0.58995 1.0000 + Sn Sn937 1.0 0.55729 0.07813 0.58995 1.0000 + Sn Sn938 1.0 0.52604 0.10938 0.58995 1.0000 + Sn Sn939 1.0 0.49479 0.14063 0.58995 1.0000 + Sn Sn940 1.0 0.46354 0.17188 0.58995 1.0000 + Sn Sn941 1.0 0.43229 0.20313 0.58995 1.0000 + Sn Sn942 1.0 0.40104 0.23438 0.58995 1.0000 + Sn Sn943 1.0 0.36979 0.26563 0.58995 1.0000 + Sn Sn944 1.0 0.33854 0.29688 0.58995 1.0000 + Sn Sn945 1.0 0.83854 0.85938 0.58995 1.0000 + Sn Sn946 1.0 0.80729 0.89063 0.58995 1.0000 + Sn Sn947 1.0 0.77604 0.92188 0.58995 1.0000 + Sn Sn948 1.0 0.74479 0.95313 0.58995 1.0000 + Sn Sn949 1.0 0.71354 0.98438 0.58995 1.0000 + Sn Sn950 1.0 0.68229 0.01563 0.58995 1.0000 + Sn Sn951 1.0 0.65104 0.04688 0.58995 1.0000 + Sn Sn952 1.0 0.61979 0.07813 0.58995 1.0000 + Sn Sn953 1.0 0.58854 0.10938 0.58995 1.0000 + Sn Sn954 1.0 0.55729 0.14063 0.58995 1.0000 + Sn Sn955 1.0 0.52604 0.17188 0.58995 1.0000 + Sn Sn956 1.0 0.49479 0.20313 0.58995 1.0000 + Sn Sn957 1.0 0.46354 0.23438 0.58995 1.0000 + Sn Sn958 1.0 0.43229 0.26563 0.58995 1.0000 + Sn Sn959 1.0 0.40104 0.29688 0.58995 1.0000 + Sn Sn960 1.0 0.36979 0.32813 0.58995 1.0000 + Sn Sn961 1.0 0.86979 0.89063 0.58995 1.0000 + Sn Sn962 1.0 0.83854 0.92188 0.58995 1.0000 + Sn Sn963 1.0 0.80729 0.95313 0.58995 1.0000 + Sn Sn964 1.0 0.77604 0.98438 0.58995 1.0000 + Sn Sn965 1.0 0.74479 0.01563 0.58995 1.0000 + Sn Sn966 1.0 0.71354 0.04688 0.58995 1.0000 + Sn Sn967 1.0 0.68229 0.07813 0.58995 1.0000 + Sn Sn968 1.0 0.65104 0.10938 0.58995 1.0000 + Sn Sn969 1.0 0.61979 0.14063 0.58995 1.0000 + Sn Sn970 1.0 0.58854 0.17188 0.58995 1.0000 + Sn Sn971 1.0 0.55729 0.20313 0.58995 1.0000 + Sn Sn972 1.0 0.52604 0.23438 0.58995 1.0000 + Sn Sn973 1.0 0.49479 0.26563 0.58995 1.0000 + Sn Sn974 1.0 0.46354 0.29688 0.58995 1.0000 + Sn Sn975 1.0 0.43229 0.32813 0.58995 1.0000 + Sn Sn976 1.0 0.40104 0.35938 0.58995 1.0000 + Sn Sn977 1.0 0.90104 0.92188 0.58995 1.0000 + Sn Sn978 1.0 0.86979 0.95313 0.58995 1.0000 + Sn Sn979 1.0 0.83854 0.98438 0.58995 1.0000 + Sn Sn980 1.0 0.80729 0.01563 0.58995 1.0000 + Sn Sn981 1.0 0.77604 0.04688 0.58995 1.0000 + Sn Sn982 1.0 0.74479 0.07813 0.58995 1.0000 + Sn Sn983 1.0 0.71354 0.10938 0.58995 1.0000 + Sn Sn984 1.0 0.68229 0.14063 0.58995 1.0000 + Sn Sn985 1.0 0.65104 0.17188 0.58995 1.0000 + Sn Sn986 1.0 0.61979 0.20313 0.58995 1.0000 + Sn Sn987 1.0 0.58854 0.23438 0.58995 1.0000 + Sn Sn988 1.0 0.55729 0.26563 0.58995 1.0000 + Sn Sn989 1.0 0.52604 0.29688 0.58995 1.0000 + Sn Sn990 1.0 0.49479 0.32813 0.58995 1.0000 + Sn Sn991 1.0 0.46354 0.35938 0.58995 1.0000 + Sn Sn992 1.0 0.43229 0.39063 0.58995 1.0000 + Sn Sn993 1.0 0.93229 0.95313 0.58995 1.0000 + Sn Sn994 1.0 0.90104 0.98438 0.58995 1.0000 + Sn Sn995 1.0 0.86979 0.01563 0.58995 1.0000 + Sn Sn996 1.0 0.83854 0.04688 0.58995 1.0000 + Sn Sn997 1.0 0.80729 0.07813 0.58995 1.0000 + Sn Sn998 1.0 0.77604 0.10938 0.58995 1.0000 + Sn Sn999 1.0 0.74479 0.14063 0.58995 1.0000 + Sn Sn1000 1.0 0.71354 0.17188 0.58995 1.0000 + Sn Sn1001 1.0 0.68229 0.20313 0.58995 1.0000 + Sn Sn1002 1.0 0.65104 0.23438 0.58995 1.0000 + Sn Sn1003 1.0 0.61979 0.26563 0.58995 1.0000 + Sn Sn1004 1.0 0.58854 0.29688 0.58995 1.0000 + Sn Sn1005 1.0 0.55729 0.32813 0.58995 1.0000 + Sn Sn1006 1.0 0.52604 0.35938 0.58995 1.0000 + Sn Sn1007 1.0 0.49479 0.39063 0.58995 1.0000 + Sn Sn1008 1.0 0.46354 0.42188 0.58995 1.0000 + Sn Sn1009 1.0 0.96354 0.98438 0.58995 1.0000 + Sn Sn1010 1.0 0.93229 0.01563 0.58995 1.0000 + Sn Sn1011 1.0 0.90104 0.04688 0.58995 1.0000 + Sn Sn1012 1.0 0.86979 0.07813 0.58995 1.0000 + Sn Sn1013 1.0 0.83854 0.10938 0.58995 1.0000 + Sn Sn1014 1.0 0.80729 0.14063 0.58995 1.0000 + Sn Sn1015 1.0 0.77604 0.17188 0.58995 1.0000 + Sn Sn1016 1.0 0.74479 0.20313 0.58995 1.0000 + Sn Sn1017 1.0 0.71354 0.23438 0.58995 1.0000 + Sn Sn1018 1.0 0.68229 0.26563 0.58995 1.0000 + Sn Sn1019 1.0 0.65104 0.29688 0.58995 1.0000 + Sn Sn1020 1.0 0.61979 0.32813 0.58995 1.0000 + Sn Sn1021 1.0 0.58854 0.35938 0.58995 1.0000 + Sn Sn1022 1.0 0.55729 0.39063 0.58995 1.0000 + Sn Sn1023 1.0 0.52604 0.42188 0.58995 1.0000 + Sn Sn1024 1.0 0.49479 0.45313 0.58995 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5942_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5942_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..4a0ff9f10a89b325c63827109f02cc9ffec59dc2 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5942_supercell_16x16x1.cif @@ -0,0 +1,537 @@ +data_image0 +_chemical_formula_structural Se512 +_chemical_formula_sum "Se512" +_cell_length_a 42.4643 +_cell_length_b 84.5403 +_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 + Se Se1 1.0 0.03108 0.01562 0.50000 1.0000 + Se Se2 1.0 0.03108 0.07812 0.50000 1.0000 + Se Se3 1.0 0.03108 0.14062 0.50000 1.0000 + Se Se4 1.0 0.03108 0.20312 0.50000 1.0000 + Se Se5 1.0 0.03108 0.26562 0.50000 1.0000 + Se Se6 1.0 0.03108 0.32812 0.50000 1.0000 + Se Se7 1.0 0.03108 0.39062 0.50000 1.0000 + Se Se8 1.0 0.03108 0.45312 0.50000 1.0000 + Se Se9 1.0 0.03108 0.51562 0.50000 1.0000 + Se Se10 1.0 0.03108 0.57812 0.50000 1.0000 + Se Se11 1.0 0.03108 0.64062 0.50000 1.0000 + Se Se12 1.0 0.03108 0.70312 0.50000 1.0000 + Se Se13 1.0 0.03108 0.76562 0.50000 1.0000 + Se Se14 1.0 0.03108 0.82812 0.50000 1.0000 + Se Se15 1.0 0.03108 0.89062 0.50000 1.0000 + Se Se16 1.0 0.03108 0.95312 0.50000 1.0000 + Se Se17 1.0 0.09358 0.01562 0.50000 1.0000 + Se Se18 1.0 0.09358 0.07812 0.50000 1.0000 + Se Se19 1.0 0.09358 0.14062 0.50000 1.0000 + Se Se20 1.0 0.09358 0.20312 0.50000 1.0000 + Se Se21 1.0 0.09358 0.26562 0.50000 1.0000 + Se Se22 1.0 0.09358 0.32812 0.50000 1.0000 + Se Se23 1.0 0.09358 0.39062 0.50000 1.0000 + Se Se24 1.0 0.09358 0.45312 0.50000 1.0000 + Se Se25 1.0 0.09358 0.51562 0.50000 1.0000 + Se Se26 1.0 0.09358 0.57812 0.50000 1.0000 + Se Se27 1.0 0.09358 0.64062 0.50000 1.0000 + Se Se28 1.0 0.09358 0.70312 0.50000 1.0000 + Se Se29 1.0 0.09358 0.76562 0.50000 1.0000 + Se Se30 1.0 0.09358 0.82812 0.50000 1.0000 + Se Se31 1.0 0.09358 0.89062 0.50000 1.0000 + Se Se32 1.0 0.09358 0.95312 0.50000 1.0000 + Se Se33 1.0 0.15608 0.01562 0.50000 1.0000 + Se Se34 1.0 0.15608 0.07812 0.50000 1.0000 + Se Se35 1.0 0.15608 0.14062 0.50000 1.0000 + Se Se36 1.0 0.15608 0.20312 0.50000 1.0000 + Se Se37 1.0 0.15608 0.26562 0.50000 1.0000 + Se Se38 1.0 0.15608 0.32812 0.50000 1.0000 + Se Se39 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0.53142 0.17188 0.50000 1.0000 + Se Se388 1.0 0.53142 0.23438 0.50000 1.0000 + Se Se389 1.0 0.53142 0.29688 0.50000 1.0000 + Se Se390 1.0 0.53142 0.35938 0.50000 1.0000 + Se Se391 1.0 0.53142 0.42188 0.50000 1.0000 + Se Se392 1.0 0.53142 0.48437 0.50000 1.0000 + Se Se393 1.0 0.53142 0.54688 0.50000 1.0000 + Se Se394 1.0 0.53142 0.60938 0.50000 1.0000 + Se Se395 1.0 0.53142 0.67188 0.50000 1.0000 + Se Se396 1.0 0.53142 0.73437 0.50000 1.0000 + Se Se397 1.0 0.53142 0.79688 0.50000 1.0000 + Se Se398 1.0 0.53142 0.85937 0.50000 1.0000 + Se Se399 1.0 0.53142 0.92187 0.50000 1.0000 + Se Se400 1.0 0.53142 0.98438 0.50000 1.0000 + Se Se401 1.0 0.59392 0.04688 0.50000 1.0000 + Se Se402 1.0 0.59392 0.10938 0.50000 1.0000 + Se Se403 1.0 0.59392 0.17188 0.50000 1.0000 + Se Se404 1.0 0.59392 0.23438 0.50000 1.0000 + Se Se405 1.0 0.59392 0.29688 0.50000 1.0000 + Se Se406 1.0 0.59392 0.35938 0.50000 1.0000 + Se Se407 1.0 0.59392 0.42188 0.50000 1.0000 + Se Se408 1.0 0.59392 0.48437 0.50000 1.0000 + Se Se409 1.0 0.59392 0.54688 0.50000 1.0000 + Se Se410 1.0 0.59392 0.60938 0.50000 1.0000 + Se Se411 1.0 0.59392 0.67188 0.50000 1.0000 + Se Se412 1.0 0.59392 0.73437 0.50000 1.0000 + Se Se413 1.0 0.59392 0.79688 0.50000 1.0000 + Se Se414 1.0 0.59392 0.85937 0.50000 1.0000 + Se Se415 1.0 0.59392 0.92187 0.50000 1.0000 + Se Se416 1.0 0.59392 0.98438 0.50000 1.0000 + Se Se417 1.0 0.65642 0.04688 0.50000 1.0000 + Se Se418 1.0 0.65642 0.10938 0.50000 1.0000 + Se Se419 1.0 0.65642 0.17188 0.50000 1.0000 + Se Se420 1.0 0.65642 0.23438 0.50000 1.0000 + Se Se421 1.0 0.65642 0.29688 0.50000 1.0000 + Se Se422 1.0 0.65642 0.35938 0.50000 1.0000 + Se Se423 1.0 0.65642 0.42188 0.50000 1.0000 + Se Se424 1.0 0.65642 0.48437 0.50000 1.0000 + Se Se425 1.0 0.65642 0.54688 0.50000 1.0000 + Se Se426 1.0 0.65642 0.60938 0.50000 1.0000 + Se Se427 1.0 0.65642 0.67188 0.50000 1.0000 + Se Se428 1.0 0.65642 0.73437 0.50000 1.0000 + Se Se429 1.0 0.65642 0.79688 0.50000 1.0000 + Se Se430 1.0 0.65642 0.85937 0.50000 1.0000 + Se Se431 1.0 0.65642 0.92187 0.50000 1.0000 + Se Se432 1.0 0.65642 0.98438 0.50000 1.0000 + Se Se433 1.0 0.71892 0.04688 0.50000 1.0000 + Se Se434 1.0 0.71892 0.10938 0.50000 1.0000 + Se Se435 1.0 0.71892 0.17188 0.50000 1.0000 + Se Se436 1.0 0.71892 0.23438 0.50000 1.0000 + Se Se437 1.0 0.71892 0.29688 0.50000 1.0000 + Se Se438 1.0 0.71892 0.35938 0.50000 1.0000 + Se Se439 1.0 0.71892 0.42188 0.50000 1.0000 + Se Se440 1.0 0.71892 0.48437 0.50000 1.0000 + Se Se441 1.0 0.71892 0.54688 0.50000 1.0000 + Se Se442 1.0 0.71892 0.60938 0.50000 1.0000 + Se Se443 1.0 0.71892 0.67188 0.50000 1.0000 + Se Se444 1.0 0.71892 0.73437 0.50000 1.0000 + Se Se445 1.0 0.71892 0.79688 0.50000 1.0000 + Se Se446 1.0 0.71892 0.85937 0.50000 1.0000 + Se Se447 1.0 0.71892 0.92187 0.50000 1.0000 + Se Se448 1.0 0.71892 0.98438 0.50000 1.0000 + Se Se449 1.0 0.78142 0.04688 0.50000 1.0000 + Se Se450 1.0 0.78142 0.10938 0.50000 1.0000 + Se Se451 1.0 0.78142 0.17188 0.50000 1.0000 + Se Se452 1.0 0.78142 0.23438 0.50000 1.0000 + Se Se453 1.0 0.78142 0.29688 0.50000 1.0000 + Se Se454 1.0 0.78142 0.35938 0.50000 1.0000 + Se Se455 1.0 0.78142 0.42188 0.50000 1.0000 + Se Se456 1.0 0.78142 0.48437 0.50000 1.0000 + Se Se457 1.0 0.78142 0.54688 0.50000 1.0000 + Se Se458 1.0 0.78142 0.60938 0.50000 1.0000 + Se Se459 1.0 0.78142 0.67188 0.50000 1.0000 + Se Se460 1.0 0.78142 0.73437 0.50000 1.0000 + Se Se461 1.0 0.78142 0.79688 0.50000 1.0000 + Se Se462 1.0 0.78142 0.85937 0.50000 1.0000 + Se Se463 1.0 0.78142 0.92187 0.50000 1.0000 + Se Se464 1.0 0.78142 0.98438 0.50000 1.0000 + Se Se465 1.0 0.84392 0.04688 0.50000 1.0000 + Se Se466 1.0 0.84392 0.10938 0.50000 1.0000 + Se Se467 1.0 0.84392 0.17188 0.50000 1.0000 + Se Se468 1.0 0.84392 0.23438 0.50000 1.0000 + Se Se469 1.0 0.84392 0.29688 0.50000 1.0000 + Se Se470 1.0 0.84392 0.35938 0.50000 1.0000 + Se Se471 1.0 0.84392 0.42188 0.50000 1.0000 + Se Se472 1.0 0.84392 0.48437 0.50000 1.0000 + Se Se473 1.0 0.84392 0.54688 0.50000 1.0000 + Se Se474 1.0 0.84392 0.60938 0.50000 1.0000 + Se Se475 1.0 0.84392 0.67188 0.50000 1.0000 + Se Se476 1.0 0.84392 0.73437 0.50000 1.0000 + Se Se477 1.0 0.84392 0.79688 0.50000 1.0000 + Se Se478 1.0 0.84392 0.85937 0.50000 1.0000 + Se Se479 1.0 0.84392 0.92187 0.50000 1.0000 + Se Se480 1.0 0.84392 0.98438 0.50000 1.0000 + Se Se481 1.0 0.90642 0.04688 0.50000 1.0000 + Se Se482 1.0 0.90642 0.10938 0.50000 1.0000 + Se Se483 1.0 0.90642 0.17188 0.50000 1.0000 + Se Se484 1.0 0.90642 0.23438 0.50000 1.0000 + Se Se485 1.0 0.90642 0.29688 0.50000 1.0000 + Se Se486 1.0 0.90642 0.35938 0.50000 1.0000 + Se Se487 1.0 0.90642 0.42188 0.50000 1.0000 + Se Se488 1.0 0.90642 0.48437 0.50000 1.0000 + Se Se489 1.0 0.90642 0.54688 0.50000 1.0000 + Se Se490 1.0 0.90642 0.60938 0.50000 1.0000 + Se Se491 1.0 0.90642 0.67188 0.50000 1.0000 + Se Se492 1.0 0.90642 0.73437 0.50000 1.0000 + Se Se493 1.0 0.90642 0.79688 0.50000 1.0000 + Se Se494 1.0 0.90642 0.85937 0.50000 1.0000 + Se Se495 1.0 0.90642 0.92187 0.50000 1.0000 + Se Se496 1.0 0.90642 0.98438 0.50000 1.0000 + Se Se497 1.0 0.96892 0.04688 0.50000 1.0000 + Se Se498 1.0 0.96892 0.10938 0.50000 1.0000 + Se Se499 1.0 0.96892 0.17188 0.50000 1.0000 + Se Se500 1.0 0.96892 0.23438 0.50000 1.0000 + Se Se501 1.0 0.96892 0.29688 0.50000 1.0000 + Se Se502 1.0 0.96892 0.35938 0.50000 1.0000 + Se Se503 1.0 0.96892 0.42188 0.50000 1.0000 + Se Se504 1.0 0.96892 0.48437 0.50000 1.0000 + Se Se505 1.0 0.96892 0.54688 0.50000 1.0000 + Se Se506 1.0 0.96892 0.60938 0.50000 1.0000 + Se Se507 1.0 0.96892 0.67188 0.50000 1.0000 + Se Se508 1.0 0.96892 0.73437 0.50000 1.0000 + Se Se509 1.0 0.96892 0.79688 0.50000 1.0000 + Se Se510 1.0 0.96892 0.85937 0.50000 1.0000 + Se Se511 1.0 0.96892 0.92187 0.50000 1.0000 + Se Se512 1.0 0.96892 0.98438 0.50000 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5943_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5943_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..8b63e6698bc34e30a4accf3c8c70f52bbcd2da92 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5943_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural Pb1024 +_chemical_formula_sum "Pb1024" +_cell_length_a 135.829 +_cell_length_b 78.7584 +_cell_length_c 4.93503 +_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 + Pb Pb1 1.0 0.00518 0.04696 0.40527 1.0000 + Pb Pb2 1.0 0.97393 0.07821 0.40527 1.0000 + Pb Pb3 1.0 0.94268 0.10946 0.40527 1.0000 + Pb Pb4 1.0 0.91143 0.14071 0.40527 1.0000 + Pb Pb5 1.0 0.88018 0.17196 0.40527 1.0000 + Pb Pb6 1.0 0.84893 0.20321 0.40527 1.0000 + Pb Pb7 1.0 0.81768 0.23446 0.40527 1.0000 + Pb Pb8 1.0 0.78643 0.26571 0.40527 1.0000 + Pb Pb9 1.0 0.75518 0.29696 0.40527 1.0000 + Pb Pb10 1.0 0.72393 0.32821 0.40527 1.0000 + Pb Pb11 1.0 0.69268 0.35946 0.40527 1.0000 + Pb Pb12 1.0 0.66143 0.39071 0.40527 1.0000 + Pb Pb13 1.0 0.63018 0.42196 0.40527 1.0000 + Pb Pb14 1.0 0.59893 0.45321 0.40527 1.0000 + Pb Pb15 1.0 0.56768 0.48446 0.40527 1.0000 + Pb Pb16 1.0 0.53643 0.51571 0.40527 1.0000 + Pb Pb17 1.0 0.03643 0.07821 0.40527 1.0000 + Pb Pb18 1.0 0.00518 0.10946 0.40527 1.0000 + Pb Pb19 1.0 0.97393 0.14071 0.40527 1.0000 + Pb Pb20 1.0 0.94268 0.17196 0.40527 1.0000 + Pb Pb21 1.0 0.91143 0.20321 0.40527 1.0000 + Pb Pb22 1.0 0.88018 0.23446 0.40527 1.0000 + Pb Pb23 1.0 0.84893 0.26571 0.40527 1.0000 + Pb Pb24 1.0 0.81768 0.29696 0.40527 1.0000 + Pb Pb25 1.0 0.78643 0.32821 0.40527 1.0000 + Pb Pb26 1.0 0.75518 0.35946 0.40527 1.0000 + Pb Pb27 1.0 0.72393 0.39071 0.40527 1.0000 + Pb Pb28 1.0 0.69268 0.42196 0.40527 1.0000 + Pb Pb29 1.0 0.66143 0.45321 0.40527 1.0000 + Pb Pb30 1.0 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0.36982 0.70304 0.59473 1.0000 + Pb Pb791 1.0 0.33857 0.73429 0.59473 1.0000 + Pb Pb792 1.0 0.30732 0.76554 0.59473 1.0000 + Pb Pb793 1.0 0.27607 0.79679 0.59473 1.0000 + Pb Pb794 1.0 0.24482 0.82804 0.59473 1.0000 + Pb Pb795 1.0 0.21357 0.85929 0.59473 1.0000 + Pb Pb796 1.0 0.18232 0.89054 0.59473 1.0000 + Pb Pb797 1.0 0.15107 0.92179 0.59473 1.0000 + Pb Pb798 1.0 0.11982 0.95304 0.59473 1.0000 + Pb Pb799 1.0 0.08857 0.98429 0.59473 1.0000 + Pb Pb800 1.0 0.05732 0.01554 0.59473 1.0000 + Pb Pb801 1.0 0.55732 0.57804 0.59473 1.0000 + Pb Pb802 1.0 0.52607 0.60929 0.59473 1.0000 + Pb Pb803 1.0 0.49482 0.64054 0.59473 1.0000 + Pb Pb804 1.0 0.46357 0.67179 0.59473 1.0000 + Pb Pb805 1.0 0.43232 0.70304 0.59473 1.0000 + Pb Pb806 1.0 0.40107 0.73429 0.59473 1.0000 + Pb Pb807 1.0 0.36982 0.76554 0.59473 1.0000 + Pb Pb808 1.0 0.33857 0.79679 0.59473 1.0000 + Pb Pb809 1.0 0.30732 0.82804 0.59473 1.0000 + Pb Pb810 1.0 0.27607 0.85929 0.59473 1.0000 + Pb Pb811 1.0 0.24482 0.89054 0.59473 1.0000 + Pb Pb812 1.0 0.21357 0.92179 0.59473 1.0000 + Pb Pb813 1.0 0.18232 0.95304 0.59473 1.0000 + Pb Pb814 1.0 0.15107 0.98429 0.59473 1.0000 + Pb Pb815 1.0 0.11982 0.01554 0.59473 1.0000 + Pb Pb816 1.0 0.08857 0.04679 0.59473 1.0000 + Pb Pb817 1.0 0.58857 0.60929 0.59473 1.0000 + Pb Pb818 1.0 0.55732 0.64054 0.59473 1.0000 + Pb Pb819 1.0 0.52607 0.67179 0.59473 1.0000 + Pb Pb820 1.0 0.49482 0.70304 0.59473 1.0000 + Pb Pb821 1.0 0.46357 0.73429 0.59473 1.0000 + Pb Pb822 1.0 0.43232 0.76554 0.59473 1.0000 + Pb Pb823 1.0 0.40107 0.79679 0.59473 1.0000 + Pb Pb824 1.0 0.36982 0.82804 0.59473 1.0000 + Pb Pb825 1.0 0.33857 0.85929 0.59473 1.0000 + Pb Pb826 1.0 0.30732 0.89054 0.59473 1.0000 + Pb Pb827 1.0 0.27607 0.92179 0.59473 1.0000 + Pb Pb828 1.0 0.24482 0.95304 0.59473 1.0000 + Pb Pb829 1.0 0.21357 0.98429 0.59473 1.0000 + Pb Pb830 1.0 0.18232 0.01554 0.59473 1.0000 + Pb Pb831 1.0 0.15107 0.04679 0.59473 1.0000 + Pb Pb832 1.0 0.11982 0.07804 0.59473 1.0000 + Pb Pb833 1.0 0.61982 0.64054 0.59473 1.0000 + Pb Pb834 1.0 0.58857 0.67179 0.59473 1.0000 + Pb Pb835 1.0 0.55732 0.70304 0.59473 1.0000 + Pb Pb836 1.0 0.52607 0.73429 0.59473 1.0000 + Pb Pb837 1.0 0.49482 0.76554 0.59473 1.0000 + Pb Pb838 1.0 0.46357 0.79679 0.59473 1.0000 + Pb Pb839 1.0 0.43232 0.82804 0.59473 1.0000 + Pb Pb840 1.0 0.40107 0.85929 0.59473 1.0000 + Pb Pb841 1.0 0.36982 0.89054 0.59473 1.0000 + Pb Pb842 1.0 0.33857 0.92179 0.59473 1.0000 + Pb Pb843 1.0 0.30732 0.95304 0.59473 1.0000 + Pb Pb844 1.0 0.27607 0.98429 0.59473 1.0000 + Pb Pb845 1.0 0.24482 0.01554 0.59473 1.0000 + Pb Pb846 1.0 0.21357 0.04679 0.59473 1.0000 + Pb Pb847 1.0 0.18232 0.07804 0.59473 1.0000 + Pb Pb848 1.0 0.15107 0.10929 0.59473 1.0000 + Pb Pb849 1.0 0.65107 0.67179 0.59473 1.0000 + Pb Pb850 1.0 0.61982 0.70304 0.59473 1.0000 + Pb Pb851 1.0 0.58857 0.73429 0.59473 1.0000 + Pb Pb852 1.0 0.55732 0.76554 0.59473 1.0000 + Pb Pb853 1.0 0.52607 0.79679 0.59473 1.0000 + Pb Pb854 1.0 0.49482 0.82804 0.59473 1.0000 + Pb Pb855 1.0 0.46357 0.85929 0.59473 1.0000 + Pb Pb856 1.0 0.43232 0.89054 0.59473 1.0000 + Pb Pb857 1.0 0.40107 0.92179 0.59473 1.0000 + Pb Pb858 1.0 0.36982 0.95304 0.59473 1.0000 + Pb Pb859 1.0 0.33857 0.98429 0.59473 1.0000 + Pb Pb860 1.0 0.30732 0.01554 0.59473 1.0000 + Pb Pb861 1.0 0.27607 0.04679 0.59473 1.0000 + Pb Pb862 1.0 0.24482 0.07804 0.59473 1.0000 + Pb Pb863 1.0 0.21357 0.10929 0.59473 1.0000 + Pb Pb864 1.0 0.18232 0.14054 0.59473 1.0000 + Pb Pb865 1.0 0.68232 0.70304 0.59473 1.0000 + Pb Pb866 1.0 0.65107 0.73429 0.59473 1.0000 + Pb Pb867 1.0 0.61982 0.76554 0.59473 1.0000 + Pb Pb868 1.0 0.58857 0.79679 0.59473 1.0000 + Pb Pb869 1.0 0.55732 0.82804 0.59473 1.0000 + Pb Pb870 1.0 0.52607 0.85929 0.59473 1.0000 + Pb Pb871 1.0 0.49482 0.89054 0.59473 1.0000 + Pb Pb872 1.0 0.46357 0.92179 0.59473 1.0000 + Pb Pb873 1.0 0.43232 0.95304 0.59473 1.0000 + Pb Pb874 1.0 0.40107 0.98429 0.59473 1.0000 + Pb Pb875 1.0 0.36982 0.01554 0.59473 1.0000 + Pb Pb876 1.0 0.33857 0.04679 0.59473 1.0000 + Pb Pb877 1.0 0.30732 0.07804 0.59473 1.0000 + Pb Pb878 1.0 0.27607 0.10929 0.59473 1.0000 + Pb Pb879 1.0 0.24482 0.14054 0.59473 1.0000 + Pb Pb880 1.0 0.21357 0.17179 0.59473 1.0000 + Pb Pb881 1.0 0.71357 0.73429 0.59473 1.0000 + Pb Pb882 1.0 0.68232 0.76554 0.59473 1.0000 + Pb Pb883 1.0 0.65107 0.79679 0.59473 1.0000 + Pb Pb884 1.0 0.61982 0.82804 0.59473 1.0000 + Pb Pb885 1.0 0.58857 0.85929 0.59473 1.0000 + Pb Pb886 1.0 0.55732 0.89054 0.59473 1.0000 + Pb Pb887 1.0 0.52607 0.92179 0.59473 1.0000 + Pb Pb888 1.0 0.49482 0.95304 0.59473 1.0000 + Pb Pb889 1.0 0.46357 0.98429 0.59473 1.0000 + Pb Pb890 1.0 0.43232 0.01554 0.59473 1.0000 + Pb Pb891 1.0 0.40107 0.04679 0.59473 1.0000 + Pb Pb892 1.0 0.36982 0.07804 0.59473 1.0000 + Pb Pb893 1.0 0.33857 0.10929 0.59473 1.0000 + Pb Pb894 1.0 0.30732 0.14054 0.59473 1.0000 + Pb Pb895 1.0 0.27607 0.17179 0.59473 1.0000 + Pb Pb896 1.0 0.24482 0.20304 0.59473 1.0000 + Pb Pb897 1.0 0.74482 0.76554 0.59473 1.0000 + Pb Pb898 1.0 0.71357 0.79679 0.59473 1.0000 + Pb Pb899 1.0 0.68232 0.82804 0.59473 1.0000 + Pb Pb900 1.0 0.65107 0.85929 0.59473 1.0000 + Pb Pb901 1.0 0.61982 0.89054 0.59473 1.0000 + Pb Pb902 1.0 0.58857 0.92179 0.59473 1.0000 + Pb Pb903 1.0 0.55732 0.95304 0.59473 1.0000 + Pb Pb904 1.0 0.52607 0.98429 0.59473 1.0000 + Pb Pb905 1.0 0.49482 0.01554 0.59473 1.0000 + Pb Pb906 1.0 0.46357 0.04679 0.59473 1.0000 + Pb Pb907 1.0 0.43232 0.07804 0.59473 1.0000 + Pb Pb908 1.0 0.40107 0.10929 0.59473 1.0000 + Pb Pb909 1.0 0.36982 0.14054 0.59473 1.0000 + Pb Pb910 1.0 0.33857 0.17179 0.59473 1.0000 + Pb Pb911 1.0 0.30732 0.20304 0.59473 1.0000 + Pb Pb912 1.0 0.27607 0.23429 0.59473 1.0000 + Pb Pb913 1.0 0.77607 0.79679 0.59473 1.0000 + Pb Pb914 1.0 0.74482 0.82804 0.59473 1.0000 + Pb Pb915 1.0 0.71357 0.85929 0.59473 1.0000 + Pb Pb916 1.0 0.68232 0.89054 0.59473 1.0000 + Pb Pb917 1.0 0.65107 0.92179 0.59473 1.0000 + Pb Pb918 1.0 0.61982 0.95304 0.59473 1.0000 + Pb Pb919 1.0 0.58857 0.98429 0.59473 1.0000 + Pb Pb920 1.0 0.55732 0.01554 0.59473 1.0000 + Pb Pb921 1.0 0.52607 0.04679 0.59473 1.0000 + Pb Pb922 1.0 0.49482 0.07804 0.59473 1.0000 + Pb Pb923 1.0 0.46357 0.10929 0.59473 1.0000 + Pb Pb924 1.0 0.43232 0.14054 0.59473 1.0000 + Pb Pb925 1.0 0.40107 0.17179 0.59473 1.0000 + Pb Pb926 1.0 0.36982 0.20304 0.59473 1.0000 + Pb Pb927 1.0 0.33857 0.23429 0.59473 1.0000 + Pb Pb928 1.0 0.30732 0.26554 0.59473 1.0000 + Pb Pb929 1.0 0.80732 0.82804 0.59473 1.0000 + Pb Pb930 1.0 0.77607 0.85929 0.59473 1.0000 + Pb Pb931 1.0 0.74482 0.89054 0.59473 1.0000 + Pb Pb932 1.0 0.71357 0.92179 0.59473 1.0000 + Pb Pb933 1.0 0.68232 0.95304 0.59473 1.0000 + Pb Pb934 1.0 0.65107 0.98429 0.59473 1.0000 + Pb Pb935 1.0 0.61982 0.01554 0.59473 1.0000 + Pb Pb936 1.0 0.58857 0.04679 0.59473 1.0000 + Pb Pb937 1.0 0.55732 0.07804 0.59473 1.0000 + Pb Pb938 1.0 0.52607 0.10929 0.59473 1.0000 + Pb Pb939 1.0 0.49482 0.14054 0.59473 1.0000 + Pb Pb940 1.0 0.46357 0.17179 0.59473 1.0000 + Pb Pb941 1.0 0.43232 0.20304 0.59473 1.0000 + Pb Pb942 1.0 0.40107 0.23429 0.59473 1.0000 + Pb Pb943 1.0 0.36982 0.26554 0.59473 1.0000 + Pb Pb944 1.0 0.33857 0.29679 0.59473 1.0000 + Pb Pb945 1.0 0.83857 0.85929 0.59473 1.0000 + Pb Pb946 1.0 0.80732 0.89054 0.59473 1.0000 + Pb Pb947 1.0 0.77607 0.92179 0.59473 1.0000 + Pb Pb948 1.0 0.74482 0.95304 0.59473 1.0000 + Pb Pb949 1.0 0.71357 0.98429 0.59473 1.0000 + Pb Pb950 1.0 0.68232 0.01554 0.59473 1.0000 + Pb Pb951 1.0 0.65107 0.04679 0.59473 1.0000 + Pb Pb952 1.0 0.61982 0.07804 0.59473 1.0000 + Pb Pb953 1.0 0.58857 0.10929 0.59473 1.0000 + Pb Pb954 1.0 0.55732 0.14054 0.59473 1.0000 + Pb Pb955 1.0 0.52607 0.17179 0.59473 1.0000 + Pb Pb956 1.0 0.49482 0.20304 0.59473 1.0000 + Pb Pb957 1.0 0.46357 0.23429 0.59473 1.0000 + Pb Pb958 1.0 0.43232 0.26554 0.59473 1.0000 + Pb Pb959 1.0 0.40107 0.29679 0.59473 1.0000 + Pb Pb960 1.0 0.36982 0.32804 0.59473 1.0000 + Pb Pb961 1.0 0.86982 0.89054 0.59473 1.0000 + Pb Pb962 1.0 0.83857 0.92179 0.59473 1.0000 + Pb Pb963 1.0 0.80732 0.95304 0.59473 1.0000 + Pb Pb964 1.0 0.77607 0.98429 0.59473 1.0000 + Pb Pb965 1.0 0.74482 0.01554 0.59473 1.0000 + Pb Pb966 1.0 0.71357 0.04679 0.59473 1.0000 + Pb Pb967 1.0 0.68232 0.07804 0.59473 1.0000 + Pb Pb968 1.0 0.65107 0.10929 0.59473 1.0000 + Pb Pb969 1.0 0.61982 0.14054 0.59473 1.0000 + Pb Pb970 1.0 0.58857 0.17179 0.59473 1.0000 + Pb Pb971 1.0 0.55732 0.20304 0.59473 1.0000 + Pb Pb972 1.0 0.52607 0.23429 0.59473 1.0000 + Pb Pb973 1.0 0.49482 0.26554 0.59473 1.0000 + Pb Pb974 1.0 0.46357 0.29679 0.59473 1.0000 + Pb Pb975 1.0 0.43232 0.32804 0.59473 1.0000 + Pb Pb976 1.0 0.40107 0.35929 0.59473 1.0000 + Pb Pb977 1.0 0.90107 0.92179 0.59473 1.0000 + Pb Pb978 1.0 0.86982 0.95304 0.59473 1.0000 + Pb Pb979 1.0 0.83857 0.98429 0.59473 1.0000 + Pb Pb980 1.0 0.80732 0.01554 0.59473 1.0000 + Pb Pb981 1.0 0.77607 0.04679 0.59473 1.0000 + Pb Pb982 1.0 0.74482 0.07804 0.59473 1.0000 + Pb Pb983 1.0 0.71357 0.10929 0.59473 1.0000 + Pb Pb984 1.0 0.68232 0.14054 0.59473 1.0000 + Pb Pb985 1.0 0.65107 0.17179 0.59473 1.0000 + Pb Pb986 1.0 0.61982 0.20304 0.59473 1.0000 + Pb Pb987 1.0 0.58857 0.23429 0.59473 1.0000 + Pb Pb988 1.0 0.55732 0.26554 0.59473 1.0000 + Pb Pb989 1.0 0.52607 0.29679 0.59473 1.0000 + Pb Pb990 1.0 0.49482 0.32804 0.59473 1.0000 + Pb Pb991 1.0 0.46357 0.35929 0.59473 1.0000 + Pb Pb992 1.0 0.43232 0.39054 0.59473 1.0000 + Pb Pb993 1.0 0.93232 0.95304 0.59473 1.0000 + Pb Pb994 1.0 0.90107 0.98429 0.59473 1.0000 + Pb Pb995 1.0 0.86982 0.01554 0.59473 1.0000 + Pb Pb996 1.0 0.83857 0.04679 0.59473 1.0000 + Pb Pb997 1.0 0.80732 0.07804 0.59473 1.0000 + Pb Pb998 1.0 0.77607 0.10929 0.59473 1.0000 + Pb Pb999 1.0 0.74482 0.14054 0.59473 1.0000 + Pb Pb1000 1.0 0.71357 0.17179 0.59473 1.0000 + Pb Pb1001 1.0 0.68232 0.20304 0.59473 1.0000 + Pb Pb1002 1.0 0.65107 0.23429 0.59473 1.0000 + Pb Pb1003 1.0 0.61982 0.26554 0.59473 1.0000 + Pb Pb1004 1.0 0.58857 0.29679 0.59473 1.0000 + Pb Pb1005 1.0 0.55732 0.32804 0.59473 1.0000 + Pb Pb1006 1.0 0.52607 0.35929 0.59473 1.0000 + Pb Pb1007 1.0 0.49482 0.39054 0.59473 1.0000 + Pb Pb1008 1.0 0.46357 0.42179 0.59473 1.0000 + Pb Pb1009 1.0 0.96357 0.98429 0.59473 1.0000 + Pb Pb1010 1.0 0.93232 0.01554 0.59473 1.0000 + Pb Pb1011 1.0 0.90107 0.04679 0.59473 1.0000 + Pb Pb1012 1.0 0.86982 0.07804 0.59473 1.0000 + Pb Pb1013 1.0 0.83857 0.10929 0.59473 1.0000 + Pb Pb1014 1.0 0.80732 0.14054 0.59473 1.0000 + Pb Pb1015 1.0 0.77607 0.17179 0.59473 1.0000 + Pb Pb1016 1.0 0.74482 0.20304 0.59473 1.0000 + Pb Pb1017 1.0 0.71357 0.23429 0.59473 1.0000 + Pb Pb1018 1.0 0.68232 0.26554 0.59473 1.0000 + Pb Pb1019 1.0 0.65107 0.29679 0.59473 1.0000 + Pb Pb1020 1.0 0.61982 0.32804 0.59473 1.0000 + Pb Pb1021 1.0 0.58857 0.35929 0.59473 1.0000 + Pb Pb1022 1.0 0.55732 0.39054 0.59473 1.0000 + Pb Pb1023 1.0 0.52607 0.42179 0.59473 1.0000 + Pb Pb1024 1.0 0.49482 0.45304 0.59473 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5946_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5946_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..d70db37f784c41f2018b33a82683090c45077c2d --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5946_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural N1024 +_chemical_formula_sum "N1024" +_cell_length_a 63.56 +_cell_length_b 36.696 +_cell_length_c 4.68384 +_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 + N N1 1.0 0.02083 0.00000 0.57300 1.0000 + N N2 1.0 0.05208 0.03125 0.57300 1.0000 + N N3 1.0 0.08333 0.06250 0.57300 1.0000 + N N4 1.0 0.11458 0.09375 0.57300 1.0000 + N N5 1.0 0.14583 0.12500 0.57300 1.0000 + N N6 1.0 0.17708 0.15625 0.57300 1.0000 + N N7 1.0 0.20833 0.18750 0.57300 1.0000 + N N8 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0.81250 0.01562 0.29159 1.0000 + In In466 1.0 0.81250 0.07812 0.29159 1.0000 + In In467 1.0 0.81250 0.14062 0.29159 1.0000 + In In468 1.0 0.81250 0.20312 0.29159 1.0000 + In In469 1.0 0.81250 0.26562 0.29159 1.0000 + In In470 1.0 0.81250 0.32812 0.29159 1.0000 + In In471 1.0 0.81250 0.39062 0.29159 1.0000 + In In472 1.0 0.81250 0.45312 0.29159 1.0000 + In In473 1.0 0.81250 0.51562 0.29159 1.0000 + In In474 1.0 0.81250 0.57812 0.29159 1.0000 + In In475 1.0 0.81250 0.64062 0.29159 1.0000 + In In476 1.0 0.81250 0.70312 0.29159 1.0000 + In In477 1.0 0.81250 0.76562 0.29159 1.0000 + In In478 1.0 0.81250 0.82812 0.29159 1.0000 + In In479 1.0 0.81250 0.89062 0.29159 1.0000 + In In480 1.0 0.81250 0.95312 0.29159 1.0000 + In In481 1.0 0.87500 0.01562 0.29159 1.0000 + In In482 1.0 0.87500 0.07812 0.29159 1.0000 + In In483 1.0 0.87500 0.14062 0.29159 1.0000 + In In484 1.0 0.87500 0.20312 0.29159 1.0000 + In In485 1.0 0.87500 0.26562 0.29159 1.0000 + In In486 1.0 0.87500 0.32812 0.29159 1.0000 + In In487 1.0 0.87500 0.39062 0.29159 1.0000 + In In488 1.0 0.87500 0.45312 0.29159 1.0000 + In In489 1.0 0.87500 0.51562 0.29159 1.0000 + In In490 1.0 0.87500 0.57812 0.29159 1.0000 + In In491 1.0 0.87500 0.64062 0.29159 1.0000 + In In492 1.0 0.87500 0.70312 0.29159 1.0000 + In In493 1.0 0.87500 0.76562 0.29159 1.0000 + In In494 1.0 0.87500 0.82812 0.29159 1.0000 + In In495 1.0 0.87500 0.89062 0.29159 1.0000 + In In496 1.0 0.87500 0.95312 0.29159 1.0000 + In In497 1.0 0.93750 0.01562 0.29159 1.0000 + In In498 1.0 0.93750 0.07812 0.29159 1.0000 + In In499 1.0 0.93750 0.14062 0.29159 1.0000 + In In500 1.0 0.93750 0.20312 0.29159 1.0000 + In In501 1.0 0.93750 0.26562 0.29159 1.0000 + In In502 1.0 0.93750 0.32812 0.29159 1.0000 + In In503 1.0 0.93750 0.39062 0.29159 1.0000 + In In504 1.0 0.93750 0.45312 0.29159 1.0000 + In In505 1.0 0.93750 0.51562 0.29159 1.0000 + In In506 1.0 0.93750 0.57812 0.29159 1.0000 + In In507 1.0 0.93750 0.64062 0.29159 1.0000 + In In508 1.0 0.93750 0.70312 0.29159 1.0000 + In In509 1.0 0.93750 0.76562 0.29159 1.0000 + In In510 1.0 0.93750 0.82812 0.29159 1.0000 + In In511 1.0 0.93750 0.89062 0.29159 1.0000 + In In512 1.0 0.93750 0.95312 0.29159 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5950_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5950_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..c2666d6b014e966ec44002e8f0d1a8e983b0b170 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5950_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural Sn1024 +_chemical_formula_sum "Sn1024" +_cell_length_a 93.4392 +_cell_length_b 53.9472 +_cell_length_c 6.57355 +_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 0.04167 0.00000 0.69575 1.0000 + Sn Sn2 1.0 0.07292 0.03125 0.69575 1.0000 + Sn Sn3 1.0 0.10417 0.06250 0.69575 1.0000 + Sn Sn4 1.0 0.13542 0.09375 0.69575 1.0000 + Sn Sn5 1.0 0.16667 0.12500 0.69575 1.0000 + Sn Sn6 1.0 0.19792 0.15625 0.69575 1.0000 + Sn Sn7 1.0 0.22917 0.18750 0.69575 1.0000 + Sn Sn8 1.0 0.26042 0.21875 0.69575 1.0000 + Sn Sn9 1.0 0.29167 0.25000 0.69575 1.0000 + Sn Sn10 1.0 0.32292 0.28125 0.69575 1.0000 + Sn Sn11 1.0 0.35417 0.31250 0.69575 1.0000 + Sn Sn12 1.0 0.38542 0.34375 0.69575 1.0000 + Sn Sn13 1.0 0.41667 0.37500 0.69575 1.0000 + Sn Sn14 1.0 0.44792 0.40625 0.69575 1.0000 + Sn Sn15 1.0 0.47917 0.43750 0.69575 1.0000 + Sn Sn16 1.0 0.51042 0.46875 0.69575 1.0000 + Sn Sn17 1.0 0.07292 0.96875 0.69575 1.0000 + Sn Sn18 1.0 0.10417 0.00000 0.69575 1.0000 + Sn Sn19 1.0 0.13542 0.03125 0.69575 1.0000 + Sn Sn20 1.0 0.16667 0.06250 0.69575 1.0000 + Sn Sn21 1.0 0.19792 0.09375 0.69575 1.0000 + Sn Sn22 1.0 0.22917 0.12500 0.69575 1.0000 + Sn Sn23 1.0 0.26042 0.15625 0.69575 1.0000 + Sn Sn24 1.0 0.29167 0.18750 0.69575 1.0000 + Sn Sn25 1.0 0.32292 0.21875 0.69575 1.0000 + Sn Sn26 1.0 0.35417 0.25000 0.69575 1.0000 + Sn Sn27 1.0 0.38542 0.28125 0.69575 1.0000 + Sn Sn28 1.0 0.41667 0.31250 0.69575 1.0000 + Sn Sn29 1.0 0.44792 0.34375 0.69575 1.0000 + Sn Sn30 1.0 0.47917 0.37500 0.69575 1.0000 + Sn Sn31 1.0 0.51042 0.40625 0.69575 1.0000 + Sn Sn32 1.0 0.54167 0.43750 0.69575 1.0000 + Sn Sn33 1.0 0.10417 0.93750 0.69575 1.0000 + Sn Sn34 1.0 0.13542 0.96875 0.69575 1.0000 + Sn Sn35 1.0 0.16667 0.00000 0.69575 1.0000 + Sn Sn36 1.0 0.19792 0.03125 0.69575 1.0000 + Sn Sn37 1.0 0.22917 0.06250 0.69575 1.0000 + Sn Sn38 1.0 0.26042 0.09375 0.69575 1.0000 + Sn Sn39 1.0 0.29167 0.12500 0.69575 1.0000 + Sn Sn40 1.0 0.32292 0.15625 0.69575 1.0000 + Sn Sn41 1.0 0.35417 0.18750 0.69575 1.0000 + Sn Sn42 1.0 0.38542 0.21875 0.69575 1.0000 + Sn Sn43 1.0 0.41667 0.25000 0.69575 1.0000 + Sn Sn44 1.0 0.44792 0.28125 0.69575 1.0000 + Sn Sn45 1.0 0.47917 0.31250 0.69575 1.0000 + Sn Sn46 1.0 0.51042 0.34375 0.69575 1.0000 + Sn Sn47 1.0 0.54167 0.37500 0.69575 1.0000 + Sn Sn48 1.0 0.57292 0.40625 0.69575 1.0000 + Sn Sn49 1.0 0.13542 0.90625 0.69575 1.0000 + Sn Sn50 1.0 0.16667 0.93750 0.69575 1.0000 + Sn Sn51 1.0 0.19792 0.96875 0.69575 1.0000 + Sn Sn52 1.0 0.22917 0.00000 0.69575 1.0000 + Sn Sn53 1.0 0.26042 0.03125 0.69575 1.0000 + Sn Sn54 1.0 0.29167 0.06250 0.69575 1.0000 + Sn Sn55 1.0 0.32292 0.09375 0.69575 1.0000 + Sn Sn56 1.0 0.35417 0.12500 0.69575 1.0000 + Sn Sn57 1.0 0.38542 0.15625 0.69575 1.0000 + Sn Sn58 1.0 0.41667 0.18750 0.69575 1.0000 + Sn Sn59 1.0 0.44792 0.21875 0.69575 1.0000 + Sn Sn60 1.0 0.47917 0.25000 0.69575 1.0000 + Sn Sn61 1.0 0.51042 0.28125 0.69575 1.0000 + Sn Sn62 1.0 0.54167 0.31250 0.69575 1.0000 + Sn Sn63 1.0 0.57292 0.34375 0.69575 1.0000 + Sn Sn64 1.0 0.60417 0.37500 0.69575 1.0000 + Sn Sn65 1.0 0.16667 0.87500 0.69575 1.0000 + Sn Sn66 1.0 0.19792 0.90625 0.69575 1.0000 + Sn Sn67 1.0 0.22917 0.93750 0.69575 1.0000 + Sn Sn68 1.0 0.26042 0.96875 0.69575 1.0000 + Sn Sn69 1.0 0.29167 0.00000 0.69575 1.0000 + Sn Sn70 1.0 0.32292 0.03125 0.69575 1.0000 + Sn Sn71 1.0 0.35417 0.06250 0.69575 1.0000 + Sn Sn72 1.0 0.38542 0.09375 0.69575 1.0000 + Sn Sn73 1.0 0.41667 0.12500 0.69575 1.0000 + Sn Sn74 1.0 0.44792 0.15625 0.69575 1.0000 + Sn Sn75 1.0 0.47917 0.18750 0.69575 1.0000 + Sn Sn76 1.0 0.51042 0.21875 0.69575 1.0000 + Sn Sn77 1.0 0.54167 0.25000 0.69575 1.0000 + Sn Sn78 1.0 0.57292 0.28125 0.69575 1.0000 + Sn Sn79 1.0 0.60417 0.31250 0.69575 1.0000 + Sn Sn80 1.0 0.63542 0.34375 0.69575 1.0000 + Sn Sn81 1.0 0.19792 0.84375 0.69575 1.0000 + Sn Sn82 1.0 0.22917 0.87500 0.69575 1.0000 + Sn Sn83 1.0 0.26042 0.90625 0.69575 1.0000 + Sn Sn84 1.0 0.29167 0.93750 0.69575 1.0000 + Sn Sn85 1.0 0.32292 0.96875 0.69575 1.0000 + Sn Sn86 1.0 0.35417 0.00000 0.69575 1.0000 + Sn Sn87 1.0 0.38542 0.03125 0.69575 1.0000 + Sn Sn88 1.0 0.41667 0.06250 0.69575 1.0000 + Sn Sn89 1.0 0.44792 0.09375 0.69575 1.0000 + Sn Sn90 1.0 0.47917 0.12500 0.69575 1.0000 + Sn Sn91 1.0 0.51042 0.15625 0.69575 1.0000 + Sn Sn92 1.0 0.54167 0.18750 0.69575 1.0000 + Sn Sn93 1.0 0.57292 0.21875 0.69575 1.0000 + Sn Sn94 1.0 0.60417 0.25000 0.69575 1.0000 + Sn Sn95 1.0 0.63542 0.28125 0.69575 1.0000 + Sn Sn96 1.0 0.66667 0.31250 0.69575 1.0000 + Sn Sn97 1.0 0.22917 0.81250 0.69575 1.0000 + Sn Sn98 1.0 0.26042 0.84375 0.69575 1.0000 + Sn Sn99 1.0 0.29167 0.87500 0.69575 1.0000 + Sn Sn100 1.0 0.32292 0.90625 0.69575 1.0000 + Sn Sn101 1.0 0.35417 0.93750 0.69575 1.0000 + Sn Sn102 1.0 0.38542 0.96875 0.69575 1.0000 + Sn Sn103 1.0 0.41667 0.00000 0.69575 1.0000 + Sn Sn104 1.0 0.44792 0.03125 0.69575 1.0000 + Sn Sn105 1.0 0.47917 0.06250 0.69575 1.0000 + Sn Sn106 1.0 0.51042 0.09375 0.69575 1.0000 + Sn Sn107 1.0 0.54167 0.12500 0.69575 1.0000 + Sn Sn108 1.0 0.57292 0.15625 0.69575 1.0000 + Sn Sn109 1.0 0.60417 0.18750 0.69575 1.0000 + Sn Sn110 1.0 0.63542 0.21875 0.69575 1.0000 + Sn Sn111 1.0 0.66667 0.25000 0.69575 1.0000 + Sn Sn112 1.0 0.69792 0.28125 0.69575 1.0000 + Sn Sn113 1.0 0.26042 0.78125 0.69575 1.0000 + Sn Sn114 1.0 0.29167 0.81250 0.69575 1.0000 + Sn Sn115 1.0 0.32292 0.84375 0.69575 1.0000 + Sn Sn116 1.0 0.35417 0.87500 0.69575 1.0000 + Sn Sn117 1.0 0.38542 0.90625 0.69575 1.0000 + Sn Sn118 1.0 0.41667 0.93750 0.69575 1.0000 + Sn Sn119 1.0 0.44792 0.96875 0.69575 1.0000 + Sn Sn120 1.0 0.47917 0.00000 0.69575 1.0000 + Sn Sn121 1.0 0.51042 0.03125 0.69575 1.0000 + Sn Sn122 1.0 0.54167 0.06250 0.69575 1.0000 + Sn Sn123 1.0 0.57292 0.09375 0.69575 1.0000 + Sn Sn124 1.0 0.60417 0.12500 0.69575 1.0000 + Sn Sn125 1.0 0.63542 0.15625 0.69575 1.0000 + Sn Sn126 1.0 0.66667 0.18750 0.69575 1.0000 + Sn Sn127 1.0 0.69792 0.21875 0.69575 1.0000 + Sn Sn128 1.0 0.72917 0.25000 0.69575 1.0000 + Sn Sn129 1.0 0.29167 0.75000 0.69575 1.0000 + Sn Sn130 1.0 0.32292 0.78125 0.69575 1.0000 + Sn Sn131 1.0 0.35417 0.81250 0.69575 1.0000 + Sn Sn132 1.0 0.38542 0.84375 0.69575 1.0000 + Sn Sn133 1.0 0.41667 0.87500 0.69575 1.0000 + Sn Sn134 1.0 0.44792 0.90625 0.69575 1.0000 + Sn Sn135 1.0 0.47917 0.93750 0.69575 1.0000 + Sn Sn136 1.0 0.51042 0.96875 0.69575 1.0000 + Sn Sn137 1.0 0.54167 0.00000 0.69575 1.0000 + Sn Sn138 1.0 0.57292 0.03125 0.69575 1.0000 + Sn Sn139 1.0 0.60417 0.06250 0.69575 1.0000 + Sn Sn140 1.0 0.63542 0.09375 0.69575 1.0000 + Sn Sn141 1.0 0.66667 0.12500 0.69575 1.0000 + Sn Sn142 1.0 0.69792 0.15625 0.69575 1.0000 + Sn Sn143 1.0 0.72917 0.18750 0.69575 1.0000 + Sn Sn144 1.0 0.76042 0.21875 0.69575 1.0000 + Sn Sn145 1.0 0.32292 0.71875 0.69575 1.0000 + Sn Sn146 1.0 0.35417 0.75000 0.69575 1.0000 + Sn Sn147 1.0 0.38542 0.78125 0.69575 1.0000 + Sn Sn148 1.0 0.41667 0.81250 0.69575 1.0000 + Sn Sn149 1.0 0.44792 0.84375 0.69575 1.0000 + Sn Sn150 1.0 0.47917 0.87500 0.69575 1.0000 + Sn Sn151 1.0 0.51042 0.90625 0.69575 1.0000 + Sn Sn152 1.0 0.54167 0.93750 0.69575 1.0000 + Sn Sn153 1.0 0.57292 0.96875 0.69575 1.0000 + Sn Sn154 1.0 0.60417 0.00000 0.69575 1.0000 + Sn Sn155 1.0 0.63542 0.03125 0.69575 1.0000 + Sn Sn156 1.0 0.66667 0.06250 0.69575 1.0000 + Sn Sn157 1.0 0.69792 0.09375 0.69575 1.0000 + Sn Sn158 1.0 0.72917 0.12500 0.69575 1.0000 + Sn Sn159 1.0 0.76042 0.15625 0.69575 1.0000 + Sn Sn160 1.0 0.79167 0.18750 0.69575 1.0000 + Sn Sn161 1.0 0.35417 0.68750 0.69575 1.0000 + Sn Sn162 1.0 0.38542 0.71875 0.69575 1.0000 + Sn Sn163 1.0 0.41667 0.75000 0.69575 1.0000 + Sn Sn164 1.0 0.44792 0.78125 0.69575 1.0000 + Sn Sn165 1.0 0.47917 0.81250 0.69575 1.0000 + Sn Sn166 1.0 0.51042 0.84375 0.69575 1.0000 + Sn Sn167 1.0 0.54167 0.87500 0.69575 1.0000 + Sn Sn168 1.0 0.57292 0.90625 0.69575 1.0000 + Sn Sn169 1.0 0.60417 0.93750 0.69575 1.0000 + Sn Sn170 1.0 0.63542 0.96875 0.69575 1.0000 + Sn Sn171 1.0 0.66667 1.00000 0.69575 1.0000 + Sn Sn172 1.0 0.69792 0.03125 0.69575 1.0000 + Sn Sn173 1.0 0.72917 0.06250 0.69575 1.0000 + Sn Sn174 1.0 0.76042 0.09375 0.69575 1.0000 + Sn Sn175 1.0 0.79167 0.12500 0.69575 1.0000 + Sn Sn176 1.0 0.82292 0.15625 0.69575 1.0000 + Sn Sn177 1.0 0.38542 0.65625 0.69575 1.0000 + Sn Sn178 1.0 0.41667 0.68750 0.69575 1.0000 + Sn Sn179 1.0 0.44792 0.71875 0.69575 1.0000 + Sn Sn180 1.0 0.47917 0.75000 0.69575 1.0000 + Sn Sn181 1.0 0.51042 0.78125 0.69575 1.0000 + Sn Sn182 1.0 0.54167 0.81250 0.69575 1.0000 + Sn Sn183 1.0 0.57292 0.84375 0.69575 1.0000 + Sn Sn184 1.0 0.60417 0.87500 0.69575 1.0000 + Sn Sn185 1.0 0.63542 0.90625 0.69575 1.0000 + Sn Sn186 1.0 0.66667 0.93750 0.69575 1.0000 + Sn Sn187 1.0 0.69792 0.96875 0.69575 1.0000 + Sn Sn188 1.0 0.72917 1.00000 0.69575 1.0000 + Sn Sn189 1.0 0.76042 0.03125 0.69575 1.0000 + Sn Sn190 1.0 0.79167 0.06250 0.69575 1.0000 + Sn Sn191 1.0 0.82292 0.09375 0.69575 1.0000 + Sn Sn192 1.0 0.85417 0.12500 0.69575 1.0000 + Sn Sn193 1.0 0.41667 0.62500 0.69575 1.0000 + Sn Sn194 1.0 0.44792 0.65625 0.69575 1.0000 + Sn Sn195 1.0 0.47917 0.68750 0.69575 1.0000 + Sn Sn196 1.0 0.51042 0.71875 0.69575 1.0000 + Sn Sn197 1.0 0.54167 0.75000 0.69575 1.0000 + Sn Sn198 1.0 0.57292 0.78125 0.69575 1.0000 + Sn Sn199 1.0 0.60417 0.81250 0.69575 1.0000 + Sn Sn200 1.0 0.63542 0.84375 0.69575 1.0000 + Sn Sn201 1.0 0.66667 0.87500 0.69575 1.0000 + Sn Sn202 1.0 0.69792 0.90625 0.69575 1.0000 + Sn Sn203 1.0 0.72917 0.93750 0.69575 1.0000 + Sn Sn204 1.0 0.76042 0.96875 0.69575 1.0000 + Sn Sn205 1.0 0.79167 1.00000 0.69575 1.0000 + Sn Sn206 1.0 0.82292 0.03125 0.69575 1.0000 + Sn Sn207 1.0 0.85417 0.06250 0.69575 1.0000 + Sn Sn208 1.0 0.88542 0.09375 0.69575 1.0000 + Sn Sn209 1.0 0.44792 0.59375 0.69575 1.0000 + Sn Sn210 1.0 0.47917 0.62500 0.69575 1.0000 + Sn Sn211 1.0 0.51042 0.65625 0.69575 1.0000 + Sn Sn212 1.0 0.54167 0.68750 0.69575 1.0000 + Sn Sn213 1.0 0.57292 0.71875 0.69575 1.0000 + Sn Sn214 1.0 0.60417 0.75000 0.69575 1.0000 + Sn Sn215 1.0 0.63542 0.78125 0.69575 1.0000 + Sn Sn216 1.0 0.66667 0.81250 0.69575 1.0000 + Sn Sn217 1.0 0.69792 0.84375 0.69575 1.0000 + Sn Sn218 1.0 0.72917 0.87500 0.69575 1.0000 + Sn Sn219 1.0 0.76042 0.90625 0.69575 1.0000 + Sn Sn220 1.0 0.79167 0.93750 0.69575 1.0000 + Sn Sn221 1.0 0.82292 0.96875 0.69575 1.0000 + Sn Sn222 1.0 0.85417 0.00000 0.69575 1.0000 + Sn Sn223 1.0 0.88542 0.03125 0.69575 1.0000 + Sn Sn224 1.0 0.91667 0.06250 0.69575 1.0000 + Sn Sn225 1.0 0.47917 0.56250 0.69575 1.0000 + Sn Sn226 1.0 0.51042 0.59375 0.69575 1.0000 + Sn Sn227 1.0 0.54167 0.62500 0.69575 1.0000 + Sn Sn228 1.0 0.57292 0.65625 0.69575 1.0000 + Sn Sn229 1.0 0.60417 0.68750 0.69575 1.0000 + Sn Sn230 1.0 0.63542 0.71875 0.69575 1.0000 + Sn Sn231 1.0 0.66667 0.75000 0.69575 1.0000 + Sn Sn232 1.0 0.69792 0.78125 0.69575 1.0000 + Sn Sn233 1.0 0.72917 0.81250 0.69575 1.0000 + Sn Sn234 1.0 0.76042 0.84375 0.69575 1.0000 + Sn Sn235 1.0 0.79167 0.87500 0.69575 1.0000 + Sn Sn236 1.0 0.82292 0.90625 0.69575 1.0000 + Sn Sn237 1.0 0.85417 0.93750 0.69575 1.0000 + Sn Sn238 1.0 0.88542 0.96875 0.69575 1.0000 + Sn Sn239 1.0 0.91667 1.00000 0.69575 1.0000 + Sn Sn240 1.0 0.94792 0.03125 0.69575 1.0000 + Sn Sn241 1.0 0.51042 0.53125 0.69575 1.0000 + Sn Sn242 1.0 0.54167 0.56250 0.69575 1.0000 + Sn Sn243 1.0 0.57292 0.59375 0.69575 1.0000 + Sn Sn244 1.0 0.60417 0.62500 0.69575 1.0000 + Sn Sn245 1.0 0.63542 0.65625 0.69575 1.0000 + Sn Sn246 1.0 0.66667 0.68750 0.69575 1.0000 + Sn Sn247 1.0 0.69792 0.71875 0.69575 1.0000 + Sn Sn248 1.0 0.72917 0.75000 0.69575 1.0000 + Sn Sn249 1.0 0.76042 0.78125 0.69575 1.0000 + Sn Sn250 1.0 0.79167 0.81250 0.69575 1.0000 + Sn Sn251 1.0 0.82292 0.84375 0.69575 1.0000 + Sn Sn252 1.0 0.85417 0.87500 0.69575 1.0000 + Sn Sn253 1.0 0.88542 0.90625 0.69575 1.0000 + Sn Sn254 1.0 0.91667 0.93750 0.69575 1.0000 + Sn Sn255 1.0 0.94792 0.96875 0.69575 1.0000 + Sn Sn256 1.0 0.97917 0.00000 0.69575 1.0000 + Sn Sn257 1.0 0.02083 0.00000 0.30425 1.0000 + Sn Sn258 1.0 0.05208 0.03125 0.30425 1.0000 + Sn Sn259 1.0 0.08333 0.06250 0.30425 1.0000 + Sn Sn260 1.0 0.11458 0.09375 0.30425 1.0000 + Sn Sn261 1.0 0.14583 0.12500 0.30425 1.0000 + Sn Sn262 1.0 0.17708 0.15625 0.30425 1.0000 + Sn Sn263 1.0 0.20833 0.18750 0.30425 1.0000 + Sn Sn264 1.0 0.23958 0.21875 0.30425 1.0000 + Sn Sn265 1.0 0.27083 0.25000 0.30425 1.0000 + Sn Sn266 1.0 0.30208 0.28125 0.30425 1.0000 + Sn Sn267 1.0 0.33333 0.31250 0.30425 1.0000 + Sn Sn268 1.0 0.36458 0.34375 0.30425 1.0000 + Sn Sn269 1.0 0.39583 0.37500 0.30425 1.0000 + Sn Sn270 1.0 0.42708 0.40625 0.30425 1.0000 + Sn Sn271 1.0 0.45833 0.43750 0.30425 1.0000 + Sn Sn272 1.0 0.48958 0.46875 0.30425 1.0000 + Sn Sn273 1.0 0.05208 0.96875 0.30425 1.0000 + Sn Sn274 1.0 0.08333 0.00000 0.30425 1.0000 + Sn Sn275 1.0 0.11458 0.03125 0.30425 1.0000 + Sn Sn276 1.0 0.14583 0.06250 0.30425 1.0000 + Sn Sn277 1.0 0.17708 0.09375 0.30425 1.0000 + Sn Sn278 1.0 0.20833 0.12500 0.30425 1.0000 + Sn Sn279 1.0 0.23958 0.15625 0.30425 1.0000 + Sn Sn280 1.0 0.27083 0.18750 0.30425 1.0000 + Sn Sn281 1.0 0.30208 0.21875 0.30425 1.0000 + Sn Sn282 1.0 0.33333 0.25000 0.30425 1.0000 + Sn Sn283 1.0 0.36458 0.28125 0.30425 1.0000 + Sn Sn284 1.0 0.39583 0.31250 0.30425 1.0000 + Sn Sn285 1.0 0.42708 0.34375 0.30425 1.0000 + Sn Sn286 1.0 0.45833 0.37500 0.30425 1.0000 + Sn Sn287 1.0 0.48958 0.40625 0.30425 1.0000 + Sn Sn288 1.0 0.52083 0.43750 0.30425 1.0000 + Sn Sn289 1.0 0.08333 0.93750 0.30425 1.0000 + Sn Sn290 1.0 0.11458 0.96875 0.30425 1.0000 + Sn Sn291 1.0 0.14583 0.00000 0.30425 1.0000 + Sn Sn292 1.0 0.17708 0.03125 0.30425 1.0000 + Sn Sn293 1.0 0.20833 0.06250 0.30425 1.0000 + Sn Sn294 1.0 0.23958 0.09375 0.30425 1.0000 + Sn Sn295 1.0 0.27083 0.12500 0.30425 1.0000 + Sn Sn296 1.0 0.30208 0.15625 0.30425 1.0000 + Sn Sn297 1.0 0.33333 0.18750 0.30425 1.0000 + Sn Sn298 1.0 0.36458 0.21875 0.30425 1.0000 + Sn Sn299 1.0 0.39583 0.25000 0.30425 1.0000 + Sn Sn300 1.0 0.42708 0.28125 0.30425 1.0000 + Sn Sn301 1.0 0.45833 0.31250 0.30425 1.0000 + Sn Sn302 1.0 0.48958 0.34375 0.30425 1.0000 + Sn Sn303 1.0 0.52083 0.37500 0.30425 1.0000 + Sn Sn304 1.0 0.55208 0.40625 0.30425 1.0000 + Sn Sn305 1.0 0.11458 0.90625 0.30425 1.0000 + Sn Sn306 1.0 0.14583 0.93750 0.30425 1.0000 + Sn Sn307 1.0 0.17708 0.96875 0.30425 1.0000 + Sn Sn308 1.0 0.20833 0.00000 0.30425 1.0000 + Sn Sn309 1.0 0.23958 0.03125 0.30425 1.0000 + Sn Sn310 1.0 0.27083 0.06250 0.30425 1.0000 + Sn Sn311 1.0 0.30208 0.09375 0.30425 1.0000 + Sn Sn312 1.0 0.33333 0.12500 0.30425 1.0000 + Sn Sn313 1.0 0.36458 0.15625 0.30425 1.0000 + Sn Sn314 1.0 0.39583 0.18750 0.30425 1.0000 + Sn Sn315 1.0 0.42708 0.21875 0.30425 1.0000 + Sn Sn316 1.0 0.45833 0.25000 0.30425 1.0000 + Sn Sn317 1.0 0.48958 0.28125 0.30425 1.0000 + Sn Sn318 1.0 0.52083 0.31250 0.30425 1.0000 + Sn Sn319 1.0 0.55208 0.34375 0.30425 1.0000 + Sn Sn320 1.0 0.58333 0.37500 0.30425 1.0000 + Sn Sn321 1.0 0.14583 0.87500 0.30425 1.0000 + Sn Sn322 1.0 0.17708 0.90625 0.30425 1.0000 + Sn Sn323 1.0 0.20833 0.93750 0.30425 1.0000 + Sn Sn324 1.0 0.23958 0.96875 0.30425 1.0000 + Sn Sn325 1.0 0.27083 0.00000 0.30425 1.0000 + Sn Sn326 1.0 0.30208 0.03125 0.30425 1.0000 + Sn Sn327 1.0 0.33333 0.06250 0.30425 1.0000 + Sn Sn328 1.0 0.36458 0.09375 0.30425 1.0000 + Sn Sn329 1.0 0.39583 0.12500 0.30425 1.0000 + Sn Sn330 1.0 0.42708 0.15625 0.30425 1.0000 + Sn Sn331 1.0 0.45833 0.18750 0.30425 1.0000 + Sn Sn332 1.0 0.48958 0.21875 0.30425 1.0000 + Sn Sn333 1.0 0.52083 0.25000 0.30425 1.0000 + Sn Sn334 1.0 0.55208 0.28125 0.30425 1.0000 + Sn Sn335 1.0 0.58333 0.31250 0.30425 1.0000 + Sn Sn336 1.0 0.61458 0.34375 0.30425 1.0000 + Sn Sn337 1.0 0.17708 0.84375 0.30425 1.0000 + Sn Sn338 1.0 0.20833 0.87500 0.30425 1.0000 + Sn Sn339 1.0 0.23958 0.90625 0.30425 1.0000 + Sn Sn340 1.0 0.27083 0.93750 0.30425 1.0000 + Sn Sn341 1.0 0.30208 0.96875 0.30425 1.0000 + Sn Sn342 1.0 0.33333 0.00000 0.30425 1.0000 + Sn Sn343 1.0 0.36458 0.03125 0.30425 1.0000 + Sn Sn344 1.0 0.39583 0.06250 0.30425 1.0000 + Sn Sn345 1.0 0.42708 0.09375 0.30425 1.0000 + Sn Sn346 1.0 0.45833 0.12500 0.30425 1.0000 + Sn Sn347 1.0 0.48958 0.15625 0.30425 1.0000 + Sn Sn348 1.0 0.52083 0.18750 0.30425 1.0000 + Sn Sn349 1.0 0.55208 0.21875 0.30425 1.0000 + Sn Sn350 1.0 0.58333 0.25000 0.30425 1.0000 + Sn Sn351 1.0 0.61458 0.28125 0.30425 1.0000 + Sn Sn352 1.0 0.64583 0.31250 0.30425 1.0000 + Sn Sn353 1.0 0.20833 0.81250 0.30425 1.0000 + Sn Sn354 1.0 0.23958 0.84375 0.30425 1.0000 + Sn Sn355 1.0 0.27083 0.87500 0.30425 1.0000 + Sn Sn356 1.0 0.30208 0.90625 0.30425 1.0000 + Sn Sn357 1.0 0.33333 0.93750 0.30425 1.0000 + Sn Sn358 1.0 0.36458 0.96875 0.30425 1.0000 + Sn Sn359 1.0 0.39583 0.00000 0.30425 1.0000 + Sn Sn360 1.0 0.42708 0.03125 0.30425 1.0000 + Sn Sn361 1.0 0.45833 0.06250 0.30425 1.0000 + Sn Sn362 1.0 0.48958 0.09375 0.30425 1.0000 + Sn Sn363 1.0 0.52083 0.12500 0.30425 1.0000 + Sn Sn364 1.0 0.55208 0.15625 0.30425 1.0000 + Sn Sn365 1.0 0.58333 0.18750 0.30425 1.0000 + Sn Sn366 1.0 0.61458 0.21875 0.30425 1.0000 + Sn Sn367 1.0 0.64583 0.25000 0.30425 1.0000 + Sn Sn368 1.0 0.67708 0.28125 0.30425 1.0000 + Sn Sn369 1.0 0.23958 0.78125 0.30425 1.0000 + Sn Sn370 1.0 0.27083 0.81250 0.30425 1.0000 + Sn Sn371 1.0 0.30208 0.84375 0.30425 1.0000 + Sn Sn372 1.0 0.33333 0.87500 0.30425 1.0000 + Sn Sn373 1.0 0.36458 0.90625 0.30425 1.0000 + Sn Sn374 1.0 0.39583 0.93750 0.30425 1.0000 + Sn Sn375 1.0 0.42708 0.96875 0.30425 1.0000 + Sn Sn376 1.0 0.45833 0.00000 0.30425 1.0000 + Sn Sn377 1.0 0.48958 0.03125 0.30425 1.0000 + Sn Sn378 1.0 0.52083 0.06250 0.30425 1.0000 + Sn Sn379 1.0 0.55208 0.09375 0.30425 1.0000 + Sn Sn380 1.0 0.58333 0.12500 0.30425 1.0000 + Sn Sn381 1.0 0.61458 0.15625 0.30425 1.0000 + Sn Sn382 1.0 0.64583 0.18750 0.30425 1.0000 + Sn Sn383 1.0 0.67708 0.21875 0.30425 1.0000 + Sn Sn384 1.0 0.70833 0.25000 0.30425 1.0000 + Sn Sn385 1.0 0.27083 0.75000 0.30425 1.0000 + Sn Sn386 1.0 0.30208 0.78125 0.30425 1.0000 + Sn Sn387 1.0 0.33333 0.81250 0.30425 1.0000 + Sn Sn388 1.0 0.36458 0.84375 0.30425 1.0000 + Sn Sn389 1.0 0.39583 0.87500 0.30425 1.0000 + Sn Sn390 1.0 0.42708 0.90625 0.30425 1.0000 + Sn Sn391 1.0 0.45833 0.93750 0.30425 1.0000 + Sn Sn392 1.0 0.48958 0.96875 0.30425 1.0000 + Sn Sn393 1.0 0.52083 0.00000 0.30425 1.0000 + Sn Sn394 1.0 0.55208 0.03125 0.30425 1.0000 + Sn Sn395 1.0 0.58333 0.06250 0.30425 1.0000 + Sn Sn396 1.0 0.61458 0.09375 0.30425 1.0000 + Sn Sn397 1.0 0.64583 0.12500 0.30425 1.0000 + Sn Sn398 1.0 0.67708 0.15625 0.30425 1.0000 + Sn Sn399 1.0 0.70833 0.18750 0.30425 1.0000 + Sn Sn400 1.0 0.73958 0.21875 0.30425 1.0000 + Sn Sn401 1.0 0.30208 0.71875 0.30425 1.0000 + Sn Sn402 1.0 0.33333 0.75000 0.30425 1.0000 + Sn Sn403 1.0 0.36458 0.78125 0.30425 1.0000 + Sn Sn404 1.0 0.39583 0.81250 0.30425 1.0000 + Sn Sn405 1.0 0.42708 0.84375 0.30425 1.0000 + Sn Sn406 1.0 0.45833 0.87500 0.30425 1.0000 + Sn Sn407 1.0 0.48958 0.90625 0.30425 1.0000 + Sn Sn408 1.0 0.52083 0.93750 0.30425 1.0000 + Sn Sn409 1.0 0.55208 0.96875 0.30425 1.0000 + Sn Sn410 1.0 0.58333 0.00000 0.30425 1.0000 + Sn Sn411 1.0 0.61458 0.03125 0.30425 1.0000 + Sn Sn412 1.0 0.64583 0.06250 0.30425 1.0000 + Sn Sn413 1.0 0.67708 0.09375 0.30425 1.0000 + Sn Sn414 1.0 0.70833 0.12500 0.30425 1.0000 + Sn Sn415 1.0 0.73958 0.15625 0.30425 1.0000 + Sn Sn416 1.0 0.77083 0.18750 0.30425 1.0000 + Sn Sn417 1.0 0.33333 0.68750 0.30425 1.0000 + Sn Sn418 1.0 0.36458 0.71875 0.30425 1.0000 + Sn Sn419 1.0 0.39583 0.75000 0.30425 1.0000 + Sn Sn420 1.0 0.42708 0.78125 0.30425 1.0000 + Sn Sn421 1.0 0.45833 0.81250 0.30425 1.0000 + Sn Sn422 1.0 0.48958 0.84375 0.30425 1.0000 + Sn Sn423 1.0 0.52083 0.87500 0.30425 1.0000 + Sn Sn424 1.0 0.55208 0.90625 0.30425 1.0000 + Sn Sn425 1.0 0.58333 0.93750 0.30425 1.0000 + Sn Sn426 1.0 0.61458 0.96875 0.30425 1.0000 + Sn Sn427 1.0 0.64583 0.00000 0.30425 1.0000 + Sn Sn428 1.0 0.67708 0.03125 0.30425 1.0000 + Sn Sn429 1.0 0.70833 0.06250 0.30425 1.0000 + Sn Sn430 1.0 0.73958 0.09375 0.30425 1.0000 + Sn Sn431 1.0 0.77083 0.12500 0.30425 1.0000 + Sn Sn432 1.0 0.80208 0.15625 0.30425 1.0000 + Sn Sn433 1.0 0.36458 0.65625 0.30425 1.0000 + Sn Sn434 1.0 0.39583 0.68750 0.30425 1.0000 + Sn Sn435 1.0 0.42708 0.71875 0.30425 1.0000 + Sn Sn436 1.0 0.45833 0.75000 0.30425 1.0000 + Sn Sn437 1.0 0.48958 0.78125 0.30425 1.0000 + Sn Sn438 1.0 0.52083 0.81250 0.30425 1.0000 + Sn Sn439 1.0 0.55208 0.84375 0.30425 1.0000 + Sn Sn440 1.0 0.58333 0.87500 0.30425 1.0000 + Sn Sn441 1.0 0.61458 0.90625 0.30425 1.0000 + Sn Sn442 1.0 0.64583 0.93750 0.30425 1.0000 + Sn Sn443 1.0 0.67708 0.96875 0.30425 1.0000 + Sn Sn444 1.0 0.70833 1.00000 0.30425 1.0000 + Sn Sn445 1.0 0.73958 0.03125 0.30425 1.0000 + Sn Sn446 1.0 0.77083 0.06250 0.30425 1.0000 + Sn Sn447 1.0 0.80208 0.09375 0.30425 1.0000 + Sn Sn448 1.0 0.83333 0.12500 0.30425 1.0000 + Sn Sn449 1.0 0.39583 0.62500 0.30425 1.0000 + Sn Sn450 1.0 0.42708 0.65625 0.30425 1.0000 + Sn Sn451 1.0 0.45833 0.68750 0.30425 1.0000 + Sn Sn452 1.0 0.48958 0.71875 0.30425 1.0000 + Sn Sn453 1.0 0.52083 0.75000 0.30425 1.0000 + Sn Sn454 1.0 0.55208 0.78125 0.30425 1.0000 + Sn Sn455 1.0 0.58333 0.81250 0.30425 1.0000 + Sn Sn456 1.0 0.61458 0.84375 0.30425 1.0000 + Sn Sn457 1.0 0.64583 0.87500 0.30425 1.0000 + Sn Sn458 1.0 0.67708 0.90625 0.30425 1.0000 + Sn Sn459 1.0 0.70833 0.93750 0.30425 1.0000 + Sn Sn460 1.0 0.73958 0.96875 0.30425 1.0000 + Sn Sn461 1.0 0.77083 0.00000 0.30425 1.0000 + Sn Sn462 1.0 0.80208 0.03125 0.30425 1.0000 + Sn Sn463 1.0 0.83333 0.06250 0.30425 1.0000 + Sn Sn464 1.0 0.86458 0.09375 0.30425 1.0000 + Sn Sn465 1.0 0.42708 0.59375 0.30425 1.0000 + Sn Sn466 1.0 0.45833 0.62500 0.30425 1.0000 + Sn Sn467 1.0 0.48958 0.65625 0.30425 1.0000 + Sn Sn468 1.0 0.52083 0.68750 0.30425 1.0000 + Sn Sn469 1.0 0.55208 0.71875 0.30425 1.0000 + Sn Sn470 1.0 0.58333 0.75000 0.30425 1.0000 + Sn Sn471 1.0 0.61458 0.78125 0.30425 1.0000 + Sn Sn472 1.0 0.64583 0.81250 0.30425 1.0000 + Sn Sn473 1.0 0.67708 0.84375 0.30425 1.0000 + Sn Sn474 1.0 0.70833 0.87500 0.30425 1.0000 + Sn Sn475 1.0 0.73958 0.90625 0.30425 1.0000 + Sn Sn476 1.0 0.77083 0.93750 0.30425 1.0000 + Sn Sn477 1.0 0.80208 0.96875 0.30425 1.0000 + Sn Sn478 1.0 0.83333 1.00000 0.30425 1.0000 + Sn Sn479 1.0 0.86458 0.03125 0.30425 1.0000 + Sn Sn480 1.0 0.89583 0.06250 0.30425 1.0000 + Sn Sn481 1.0 0.45833 0.56250 0.30425 1.0000 + Sn Sn482 1.0 0.48958 0.59375 0.30425 1.0000 + Sn Sn483 1.0 0.52083 0.62500 0.30425 1.0000 + Sn Sn484 1.0 0.55208 0.65625 0.30425 1.0000 + Sn Sn485 1.0 0.58333 0.68750 0.30425 1.0000 + Sn Sn486 1.0 0.61458 0.71875 0.30425 1.0000 + Sn Sn487 1.0 0.64583 0.75000 0.30425 1.0000 + Sn Sn488 1.0 0.67708 0.78125 0.30425 1.0000 + Sn Sn489 1.0 0.70833 0.81250 0.30425 1.0000 + Sn Sn490 1.0 0.73958 0.84375 0.30425 1.0000 + Sn Sn491 1.0 0.77083 0.87500 0.30425 1.0000 + Sn Sn492 1.0 0.80208 0.90625 0.30425 1.0000 + Sn Sn493 1.0 0.83333 0.93750 0.30425 1.0000 + Sn Sn494 1.0 0.86458 0.96875 0.30425 1.0000 + Sn Sn495 1.0 0.89583 1.00000 0.30425 1.0000 + Sn Sn496 1.0 0.92708 0.03125 0.30425 1.0000 + Sn Sn497 1.0 0.48958 0.53125 0.30425 1.0000 + Sn Sn498 1.0 0.52083 0.56250 0.30425 1.0000 + Sn Sn499 1.0 0.55208 0.59375 0.30425 1.0000 + Sn Sn500 1.0 0.58333 0.62500 0.30425 1.0000 + Sn Sn501 1.0 0.61458 0.65625 0.30425 1.0000 + Sn Sn502 1.0 0.64583 0.68750 0.30425 1.0000 + Sn Sn503 1.0 0.67708 0.71875 0.30425 1.0000 + Sn Sn504 1.0 0.70833 0.75000 0.30425 1.0000 + Sn Sn505 1.0 0.73958 0.78125 0.30425 1.0000 + Sn Sn506 1.0 0.77083 0.81250 0.30425 1.0000 + Sn Sn507 1.0 0.80208 0.84375 0.30425 1.0000 + Sn Sn508 1.0 0.83333 0.87500 0.30425 1.0000 + Sn Sn509 1.0 0.86458 0.90625 0.30425 1.0000 + Sn Sn510 1.0 0.89583 0.93750 0.30425 1.0000 + Sn Sn511 1.0 0.92708 0.96875 0.30425 1.0000 + Sn Sn512 1.0 0.95833 1.00000 0.30425 1.0000 + Sn Sn513 1.0 0.54167 0.50000 0.69575 1.0000 + Sn Sn514 1.0 0.57292 0.53125 0.69575 1.0000 + Sn Sn515 1.0 0.60417 0.56250 0.69575 1.0000 + Sn Sn516 1.0 0.63542 0.59375 0.69575 1.0000 + Sn Sn517 1.0 0.66667 0.62500 0.69575 1.0000 + Sn Sn518 1.0 0.69792 0.65625 0.69575 1.0000 + Sn Sn519 1.0 0.72917 0.68750 0.69575 1.0000 + Sn Sn520 1.0 0.76042 0.71875 0.69575 1.0000 + Sn Sn521 1.0 0.79167 0.75000 0.69575 1.0000 + Sn Sn522 1.0 0.82292 0.78125 0.69575 1.0000 + Sn Sn523 1.0 0.85417 0.81250 0.69575 1.0000 + Sn Sn524 1.0 0.88542 0.84375 0.69575 1.0000 + Sn Sn525 1.0 0.91667 0.87500 0.69575 1.0000 + Sn Sn526 1.0 0.94792 0.90625 0.69575 1.0000 + Sn Sn527 1.0 0.97917 0.93750 0.69575 1.0000 + Sn Sn528 1.0 0.01042 0.96875 0.69575 1.0000 + Sn Sn529 1.0 0.57292 0.46875 0.69575 1.0000 + Sn Sn530 1.0 0.60417 0.50000 0.69575 1.0000 + Sn Sn531 1.0 0.63542 0.53125 0.69575 1.0000 + Sn Sn532 1.0 0.66667 0.56250 0.69575 1.0000 + Sn Sn533 1.0 0.69792 0.59375 0.69575 1.0000 + Sn Sn534 1.0 0.72917 0.62500 0.69575 1.0000 + Sn Sn535 1.0 0.76042 0.65625 0.69575 1.0000 + Sn Sn536 1.0 0.79167 0.68750 0.69575 1.0000 + Sn Sn537 1.0 0.82292 0.71875 0.69575 1.0000 + Sn Sn538 1.0 0.85417 0.75000 0.69575 1.0000 + Sn Sn539 1.0 0.88542 0.78125 0.69575 1.0000 + Sn Sn540 1.0 0.91667 0.81250 0.69575 1.0000 + Sn Sn541 1.0 0.94792 0.84375 0.69575 1.0000 + Sn Sn542 1.0 0.97917 0.87500 0.69575 1.0000 + Sn Sn543 1.0 0.01042 0.90625 0.69575 1.0000 + Sn Sn544 1.0 0.04167 0.93750 0.69575 1.0000 + Sn Sn545 1.0 0.60417 0.43750 0.69575 1.0000 + Sn Sn546 1.0 0.63542 0.46875 0.69575 1.0000 + Sn Sn547 1.0 0.66667 0.50000 0.69575 1.0000 + Sn Sn548 1.0 0.69792 0.53125 0.69575 1.0000 + Sn Sn549 1.0 0.72917 0.56250 0.69575 1.0000 + Sn Sn550 1.0 0.76042 0.59375 0.69575 1.0000 + Sn Sn551 1.0 0.79167 0.62500 0.69575 1.0000 + Sn Sn552 1.0 0.82292 0.65625 0.69575 1.0000 + Sn Sn553 1.0 0.85417 0.68750 0.69575 1.0000 + Sn Sn554 1.0 0.88542 0.71875 0.69575 1.0000 + Sn Sn555 1.0 0.91667 0.75000 0.69575 1.0000 + Sn Sn556 1.0 0.94792 0.78125 0.69575 1.0000 + Sn Sn557 1.0 0.97917 0.81250 0.69575 1.0000 + Sn Sn558 1.0 0.01042 0.84375 0.69575 1.0000 + Sn Sn559 1.0 0.04167 0.87500 0.69575 1.0000 + Sn Sn560 1.0 0.07292 0.90625 0.69575 1.0000 + Sn Sn561 1.0 0.63542 0.40625 0.69575 1.0000 + Sn Sn562 1.0 0.66667 0.43750 0.69575 1.0000 + Sn Sn563 1.0 0.69792 0.46875 0.69575 1.0000 + Sn Sn564 1.0 0.72917 0.50000 0.69575 1.0000 + Sn Sn565 1.0 0.76042 0.53125 0.69575 1.0000 + Sn Sn566 1.0 0.79167 0.56250 0.69575 1.0000 + Sn Sn567 1.0 0.82292 0.59375 0.69575 1.0000 + Sn Sn568 1.0 0.85417 0.62500 0.69575 1.0000 + Sn Sn569 1.0 0.88542 0.65625 0.69575 1.0000 + Sn Sn570 1.0 0.91667 0.68750 0.69575 1.0000 + Sn Sn571 1.0 0.94792 0.71875 0.69575 1.0000 + Sn Sn572 1.0 0.97917 0.75000 0.69575 1.0000 + Sn Sn573 1.0 0.01042 0.78125 0.69575 1.0000 + Sn Sn574 1.0 0.04167 0.81250 0.69575 1.0000 + Sn Sn575 1.0 0.07292 0.84375 0.69575 1.0000 + Sn Sn576 1.0 0.10417 0.87500 0.69575 1.0000 + Sn Sn577 1.0 0.66667 0.37500 0.69575 1.0000 + Sn Sn578 1.0 0.69792 0.40625 0.69575 1.0000 + Sn Sn579 1.0 0.72917 0.43750 0.69575 1.0000 + Sn Sn580 1.0 0.76042 0.46875 0.69575 1.0000 + Sn Sn581 1.0 0.79167 0.50000 0.69575 1.0000 + Sn Sn582 1.0 0.82292 0.53125 0.69575 1.0000 + Sn Sn583 1.0 0.85417 0.56250 0.69575 1.0000 + Sn Sn584 1.0 0.88542 0.59375 0.69575 1.0000 + Sn Sn585 1.0 0.91667 0.62500 0.69575 1.0000 + Sn Sn586 1.0 0.94792 0.65625 0.69575 1.0000 + Sn Sn587 1.0 0.97917 0.68750 0.69575 1.0000 + Sn Sn588 1.0 0.01042 0.71875 0.69575 1.0000 + Sn Sn589 1.0 0.04167 0.75000 0.69575 1.0000 + Sn Sn590 1.0 0.07292 0.78125 0.69575 1.0000 + Sn Sn591 1.0 0.10417 0.81250 0.69575 1.0000 + Sn Sn592 1.0 0.13542 0.84375 0.69575 1.0000 + Sn Sn593 1.0 0.69792 0.34375 0.69575 1.0000 + Sn Sn594 1.0 0.72917 0.37500 0.69575 1.0000 + Sn Sn595 1.0 0.76042 0.40625 0.69575 1.0000 + Sn Sn596 1.0 0.79167 0.43750 0.69575 1.0000 + Sn Sn597 1.0 0.82292 0.46875 0.69575 1.0000 + Sn Sn598 1.0 0.85417 0.50000 0.69575 1.0000 + Sn Sn599 1.0 0.88542 0.53125 0.69575 1.0000 + Sn Sn600 1.0 0.91667 0.56250 0.69575 1.0000 + Sn Sn601 1.0 0.94792 0.59375 0.69575 1.0000 + Sn Sn602 1.0 0.97917 0.62500 0.69575 1.0000 + Sn Sn603 1.0 0.01042 0.65625 0.69575 1.0000 + Sn Sn604 1.0 0.04167 0.68750 0.69575 1.0000 + Sn Sn605 1.0 0.07292 0.71875 0.69575 1.0000 + Sn Sn606 1.0 0.10417 0.75000 0.69575 1.0000 + Sn Sn607 1.0 0.13542 0.78125 0.69575 1.0000 + Sn Sn608 1.0 0.16667 0.81250 0.69575 1.0000 + Sn Sn609 1.0 0.72917 0.31250 0.69575 1.0000 + Sn Sn610 1.0 0.76042 0.34375 0.69575 1.0000 + Sn Sn611 1.0 0.79167 0.37500 0.69575 1.0000 + Sn Sn612 1.0 0.82292 0.40625 0.69575 1.0000 + Sn Sn613 1.0 0.85417 0.43750 0.69575 1.0000 + Sn Sn614 1.0 0.88542 0.46875 0.69575 1.0000 + Sn Sn615 1.0 0.91667 0.50000 0.69575 1.0000 + Sn Sn616 1.0 0.94792 0.53125 0.69575 1.0000 + Sn Sn617 1.0 0.97917 0.56250 0.69575 1.0000 + Sn Sn618 1.0 0.01042 0.59375 0.69575 1.0000 + Sn Sn619 1.0 0.04167 0.62500 0.69575 1.0000 + Sn Sn620 1.0 0.07292 0.65625 0.69575 1.0000 + Sn Sn621 1.0 0.10417 0.68750 0.69575 1.0000 + Sn Sn622 1.0 0.13542 0.71875 0.69575 1.0000 + Sn Sn623 1.0 0.16667 0.75000 0.69575 1.0000 + Sn Sn624 1.0 0.19792 0.78125 0.69575 1.0000 + Sn Sn625 1.0 0.76042 0.28125 0.69575 1.0000 + Sn Sn626 1.0 0.79167 0.31250 0.69575 1.0000 + Sn Sn627 1.0 0.82292 0.34375 0.69575 1.0000 + Sn Sn628 1.0 0.85417 0.37500 0.69575 1.0000 + Sn Sn629 1.0 0.88542 0.40625 0.69575 1.0000 + Sn Sn630 1.0 0.91667 0.43750 0.69575 1.0000 + Sn Sn631 1.0 0.94792 0.46875 0.69575 1.0000 + Sn Sn632 1.0 0.97917 0.50000 0.69575 1.0000 + Sn Sn633 1.0 0.01042 0.53125 0.69575 1.0000 + Sn Sn634 1.0 0.04167 0.56250 0.69575 1.0000 + Sn Sn635 1.0 0.07292 0.59375 0.69575 1.0000 + Sn Sn636 1.0 0.10417 0.62500 0.69575 1.0000 + Sn Sn637 1.0 0.13542 0.65625 0.69575 1.0000 + Sn Sn638 1.0 0.16667 0.68750 0.69575 1.0000 + Sn Sn639 1.0 0.19792 0.71875 0.69575 1.0000 + Sn Sn640 1.0 0.22917 0.75000 0.69575 1.0000 + Sn Sn641 1.0 0.79167 0.25000 0.69575 1.0000 + Sn Sn642 1.0 0.82292 0.28125 0.69575 1.0000 + Sn Sn643 1.0 0.85417 0.31250 0.69575 1.0000 + Sn Sn644 1.0 0.88542 0.34375 0.69575 1.0000 + Sn Sn645 1.0 0.91667 0.37500 0.69575 1.0000 + Sn Sn646 1.0 0.94792 0.40625 0.69575 1.0000 + Sn Sn647 1.0 0.97917 0.43750 0.69575 1.0000 + Sn Sn648 1.0 0.01042 0.46875 0.69575 1.0000 + Sn Sn649 1.0 0.04167 0.50000 0.69575 1.0000 + Sn Sn650 1.0 0.07292 0.53125 0.69575 1.0000 + Sn Sn651 1.0 0.10417 0.56250 0.69575 1.0000 + Sn Sn652 1.0 0.13542 0.59375 0.69575 1.0000 + Sn Sn653 1.0 0.16667 0.62500 0.69575 1.0000 + Sn Sn654 1.0 0.19792 0.65625 0.69575 1.0000 + Sn Sn655 1.0 0.22917 0.68750 0.69575 1.0000 + Sn Sn656 1.0 0.26042 0.71875 0.69575 1.0000 + Sn Sn657 1.0 0.82292 0.21875 0.69575 1.0000 + Sn Sn658 1.0 0.85417 0.25000 0.69575 1.0000 + Sn Sn659 1.0 0.88542 0.28125 0.69575 1.0000 + Sn Sn660 1.0 0.91667 0.31250 0.69575 1.0000 + Sn Sn661 1.0 0.94792 0.34375 0.69575 1.0000 + Sn Sn662 1.0 0.97917 0.37500 0.69575 1.0000 + Sn Sn663 1.0 0.01042 0.40625 0.69575 1.0000 + Sn Sn664 1.0 0.04167 0.43750 0.69575 1.0000 + Sn Sn665 1.0 0.07292 0.46875 0.69575 1.0000 + Sn Sn666 1.0 0.10417 0.50000 0.69575 1.0000 + Sn Sn667 1.0 0.13542 0.53125 0.69575 1.0000 + Sn Sn668 1.0 0.16667 0.56250 0.69575 1.0000 + Sn Sn669 1.0 0.19792 0.59375 0.69575 1.0000 + Sn Sn670 1.0 0.22917 0.62500 0.69575 1.0000 + Sn Sn671 1.0 0.26042 0.65625 0.69575 1.0000 + Sn Sn672 1.0 0.29167 0.68750 0.69575 1.0000 + Sn Sn673 1.0 0.85417 0.18750 0.69575 1.0000 + Sn Sn674 1.0 0.88542 0.21875 0.69575 1.0000 + Sn Sn675 1.0 0.91667 0.25000 0.69575 1.0000 + Sn Sn676 1.0 0.94792 0.28125 0.69575 1.0000 + Sn Sn677 1.0 0.97917 0.31250 0.69575 1.0000 + Sn Sn678 1.0 0.01042 0.34375 0.69575 1.0000 + Sn Sn679 1.0 0.04167 0.37500 0.69575 1.0000 + Sn Sn680 1.0 0.07292 0.40625 0.69575 1.0000 + Sn Sn681 1.0 0.10417 0.43750 0.69575 1.0000 + Sn Sn682 1.0 0.13542 0.46875 0.69575 1.0000 + Sn Sn683 1.0 0.16667 0.50000 0.69575 1.0000 + Sn Sn684 1.0 0.19792 0.53125 0.69575 1.0000 + Sn Sn685 1.0 0.22917 0.56250 0.69575 1.0000 + Sn Sn686 1.0 0.26042 0.59375 0.69575 1.0000 + Sn Sn687 1.0 0.29167 0.62500 0.69575 1.0000 + Sn Sn688 1.0 0.32292 0.65625 0.69575 1.0000 + Sn Sn689 1.0 0.88542 0.15625 0.69575 1.0000 + Sn Sn690 1.0 0.91667 0.18750 0.69575 1.0000 + Sn Sn691 1.0 0.94792 0.21875 0.69575 1.0000 + Sn Sn692 1.0 0.97917 0.25000 0.69575 1.0000 + Sn Sn693 1.0 0.01042 0.28125 0.69575 1.0000 + Sn Sn694 1.0 0.04167 0.31250 0.69575 1.0000 + Sn Sn695 1.0 0.07292 0.34375 0.69575 1.0000 + Sn Sn696 1.0 0.10417 0.37500 0.69575 1.0000 + Sn Sn697 1.0 0.13542 0.40625 0.69575 1.0000 + Sn Sn698 1.0 0.16667 0.43750 0.69575 1.0000 + Sn Sn699 1.0 0.19792 0.46875 0.69575 1.0000 + Sn Sn700 1.0 0.22917 0.50000 0.69575 1.0000 + Sn Sn701 1.0 0.26042 0.53125 0.69575 1.0000 + Sn Sn702 1.0 0.29167 0.56250 0.69575 1.0000 + Sn Sn703 1.0 0.32292 0.59375 0.69575 1.0000 + Sn Sn704 1.0 0.35417 0.62500 0.69575 1.0000 + Sn Sn705 1.0 0.91667 0.12500 0.69575 1.0000 + Sn Sn706 1.0 0.94792 0.15625 0.69575 1.0000 + Sn Sn707 1.0 0.97917 0.18750 0.69575 1.0000 + Sn Sn708 1.0 0.01042 0.21875 0.69575 1.0000 + Sn Sn709 1.0 0.04167 0.25000 0.69575 1.0000 + Sn Sn710 1.0 0.07292 0.28125 0.69575 1.0000 + Sn Sn711 1.0 0.10417 0.31250 0.69575 1.0000 + Sn Sn712 1.0 0.13542 0.34375 0.69575 1.0000 + Sn Sn713 1.0 0.16667 0.37500 0.69575 1.0000 + Sn Sn714 1.0 0.19792 0.40625 0.69575 1.0000 + Sn Sn715 1.0 0.22917 0.43750 0.69575 1.0000 + Sn Sn716 1.0 0.26042 0.46875 0.69575 1.0000 + Sn Sn717 1.0 0.29167 0.50000 0.69575 1.0000 + Sn Sn718 1.0 0.32292 0.53125 0.69575 1.0000 + Sn Sn719 1.0 0.35417 0.56250 0.69575 1.0000 + Sn Sn720 1.0 0.38542 0.59375 0.69575 1.0000 + Sn Sn721 1.0 0.94792 0.09375 0.69575 1.0000 + Sn Sn722 1.0 0.97917 0.12500 0.69575 1.0000 + Sn Sn723 1.0 0.01042 0.15625 0.69575 1.0000 + Sn Sn724 1.0 0.04167 0.18750 0.69575 1.0000 + Sn Sn725 1.0 0.07292 0.21875 0.69575 1.0000 + Sn Sn726 1.0 0.10417 0.25000 0.69575 1.0000 + Sn Sn727 1.0 0.13542 0.28125 0.69575 1.0000 + Sn Sn728 1.0 0.16667 0.31250 0.69575 1.0000 + Sn Sn729 1.0 0.19792 0.34375 0.69575 1.0000 + Sn Sn730 1.0 0.22917 0.37500 0.69575 1.0000 + Sn Sn731 1.0 0.26042 0.40625 0.69575 1.0000 + Sn Sn732 1.0 0.29167 0.43750 0.69575 1.0000 + Sn Sn733 1.0 0.32292 0.46875 0.69575 1.0000 + Sn Sn734 1.0 0.35417 0.50000 0.69575 1.0000 + Sn Sn735 1.0 0.38542 0.53125 0.69575 1.0000 + Sn Sn736 1.0 0.41667 0.56250 0.69575 1.0000 + Sn Sn737 1.0 0.97917 0.06250 0.69575 1.0000 + Sn Sn738 1.0 0.01042 0.09375 0.69575 1.0000 + Sn Sn739 1.0 0.04167 0.12500 0.69575 1.0000 + Sn Sn740 1.0 0.07292 0.15625 0.69575 1.0000 + Sn Sn741 1.0 0.10417 0.18750 0.69575 1.0000 + Sn Sn742 1.0 0.13542 0.21875 0.69575 1.0000 + Sn Sn743 1.0 0.16667 0.25000 0.69575 1.0000 + Sn Sn744 1.0 0.19792 0.28125 0.69575 1.0000 + Sn Sn745 1.0 0.22917 0.31250 0.69575 1.0000 + Sn Sn746 1.0 0.26042 0.34375 0.69575 1.0000 + Sn Sn747 1.0 0.29167 0.37500 0.69575 1.0000 + Sn Sn748 1.0 0.32292 0.40625 0.69575 1.0000 + Sn Sn749 1.0 0.35417 0.43750 0.69575 1.0000 + Sn Sn750 1.0 0.38542 0.46875 0.69575 1.0000 + Sn Sn751 1.0 0.41667 0.50000 0.69575 1.0000 + Sn Sn752 1.0 0.44792 0.53125 0.69575 1.0000 + Sn Sn753 1.0 0.01042 0.03125 0.69575 1.0000 + Sn Sn754 1.0 0.04167 0.06250 0.69575 1.0000 + Sn Sn755 1.0 0.07292 0.09375 0.69575 1.0000 + Sn Sn756 1.0 0.10417 0.12500 0.69575 1.0000 + Sn Sn757 1.0 0.13542 0.15625 0.69575 1.0000 + Sn Sn758 1.0 0.16667 0.18750 0.69575 1.0000 + Sn Sn759 1.0 0.19792 0.21875 0.69575 1.0000 + Sn Sn760 1.0 0.22917 0.25000 0.69575 1.0000 + Sn Sn761 1.0 0.26042 0.28125 0.69575 1.0000 + Sn Sn762 1.0 0.29167 0.31250 0.69575 1.0000 + Sn Sn763 1.0 0.32292 0.34375 0.69575 1.0000 + Sn Sn764 1.0 0.35417 0.37500 0.69575 1.0000 + Sn Sn765 1.0 0.38542 0.40625 0.69575 1.0000 + Sn Sn766 1.0 0.41667 0.43750 0.69575 1.0000 + Sn Sn767 1.0 0.44792 0.46875 0.69575 1.0000 + Sn Sn768 1.0 0.47917 0.50000 0.69575 1.0000 + Sn Sn769 1.0 0.52083 0.50000 0.30425 1.0000 + Sn Sn770 1.0 0.55208 0.53125 0.30425 1.0000 + Sn Sn771 1.0 0.58333 0.56250 0.30425 1.0000 + Sn Sn772 1.0 0.61458 0.59375 0.30425 1.0000 + Sn Sn773 1.0 0.64583 0.62500 0.30425 1.0000 + Sn Sn774 1.0 0.67708 0.65625 0.30425 1.0000 + Sn Sn775 1.0 0.70833 0.68750 0.30425 1.0000 + Sn Sn776 1.0 0.73958 0.71875 0.30425 1.0000 + Sn Sn777 1.0 0.77083 0.75000 0.30425 1.0000 + Sn Sn778 1.0 0.80208 0.78125 0.30425 1.0000 + Sn Sn779 1.0 0.83333 0.81250 0.30425 1.0000 + Sn Sn780 1.0 0.86458 0.84375 0.30425 1.0000 + Sn Sn781 1.0 0.89583 0.87500 0.30425 1.0000 + Sn Sn782 1.0 0.92708 0.90625 0.30425 1.0000 + Sn Sn783 1.0 0.95833 0.93750 0.30425 1.0000 + Sn Sn784 1.0 0.98958 0.96875 0.30425 1.0000 + Sn Sn785 1.0 0.55208 0.46875 0.30425 1.0000 + Sn Sn786 1.0 0.58333 0.50000 0.30425 1.0000 + Sn Sn787 1.0 0.61458 0.53125 0.30425 1.0000 + Sn Sn788 1.0 0.64583 0.56250 0.30425 1.0000 + Sn Sn789 1.0 0.67708 0.59375 0.30425 1.0000 + Sn Sn790 1.0 0.70833 0.62500 0.30425 1.0000 + Sn Sn791 1.0 0.73958 0.65625 0.30425 1.0000 + Sn Sn792 1.0 0.77083 0.68750 0.30425 1.0000 + Sn Sn793 1.0 0.80208 0.71875 0.30425 1.0000 + Sn Sn794 1.0 0.83333 0.75000 0.30425 1.0000 + Sn Sn795 1.0 0.86458 0.78125 0.30425 1.0000 + Sn Sn796 1.0 0.89583 0.81250 0.30425 1.0000 + Sn Sn797 1.0 0.92708 0.84375 0.30425 1.0000 + Sn Sn798 1.0 0.95833 0.87500 0.30425 1.0000 + Sn Sn799 1.0 0.98958 0.90625 0.30425 1.0000 + Sn Sn800 1.0 0.02083 0.93750 0.30425 1.0000 + Sn Sn801 1.0 0.58333 0.43750 0.30425 1.0000 + Sn Sn802 1.0 0.61458 0.46875 0.30425 1.0000 + Sn Sn803 1.0 0.64583 0.50000 0.30425 1.0000 + Sn Sn804 1.0 0.67708 0.53125 0.30425 1.0000 + Sn Sn805 1.0 0.70833 0.56250 0.30425 1.0000 + Sn Sn806 1.0 0.73958 0.59375 0.30425 1.0000 + Sn Sn807 1.0 0.77083 0.62500 0.30425 1.0000 + Sn Sn808 1.0 0.80208 0.65625 0.30425 1.0000 + Sn Sn809 1.0 0.83333 0.68750 0.30425 1.0000 + Sn Sn810 1.0 0.86458 0.71875 0.30425 1.0000 + Sn Sn811 1.0 0.89583 0.75000 0.30425 1.0000 + Sn Sn812 1.0 0.92708 0.78125 0.30425 1.0000 + Sn Sn813 1.0 0.95833 0.81250 0.30425 1.0000 + Sn Sn814 1.0 0.98958 0.84375 0.30425 1.0000 + Sn Sn815 1.0 0.02083 0.87500 0.30425 1.0000 + Sn Sn816 1.0 0.05208 0.90625 0.30425 1.0000 + Sn Sn817 1.0 0.61458 0.40625 0.30425 1.0000 + Sn Sn818 1.0 0.64583 0.43750 0.30425 1.0000 + Sn Sn819 1.0 0.67708 0.46875 0.30425 1.0000 + Sn Sn820 1.0 0.70833 0.50000 0.30425 1.0000 + Sn Sn821 1.0 0.73958 0.53125 0.30425 1.0000 + Sn Sn822 1.0 0.77083 0.56250 0.30425 1.0000 + Sn Sn823 1.0 0.80208 0.59375 0.30425 1.0000 + Sn Sn824 1.0 0.83333 0.62500 0.30425 1.0000 + Sn Sn825 1.0 0.86458 0.65625 0.30425 1.0000 + Sn Sn826 1.0 0.89583 0.68750 0.30425 1.0000 + Sn Sn827 1.0 0.92708 0.71875 0.30425 1.0000 + Sn Sn828 1.0 0.95833 0.75000 0.30425 1.0000 + Sn Sn829 1.0 0.98958 0.78125 0.30425 1.0000 + Sn Sn830 1.0 0.02083 0.81250 0.30425 1.0000 + Sn Sn831 1.0 0.05208 0.84375 0.30425 1.0000 + Sn Sn832 1.0 0.08333 0.87500 0.30425 1.0000 + Sn Sn833 1.0 0.64583 0.37500 0.30425 1.0000 + Sn Sn834 1.0 0.67708 0.40625 0.30425 1.0000 + Sn Sn835 1.0 0.70833 0.43750 0.30425 1.0000 + Sn Sn836 1.0 0.73958 0.46875 0.30425 1.0000 + Sn Sn837 1.0 0.77083 0.50000 0.30425 1.0000 + Sn Sn838 1.0 0.80208 0.53125 0.30425 1.0000 + Sn Sn839 1.0 0.83333 0.56250 0.30425 1.0000 + Sn Sn840 1.0 0.86458 0.59375 0.30425 1.0000 + Sn Sn841 1.0 0.89583 0.62500 0.30425 1.0000 + Sn Sn842 1.0 0.92708 0.65625 0.30425 1.0000 + Sn Sn843 1.0 0.95833 0.68750 0.30425 1.0000 + Sn Sn844 1.0 0.98958 0.71875 0.30425 1.0000 + Sn Sn845 1.0 0.02083 0.75000 0.30425 1.0000 + Sn Sn846 1.0 0.05208 0.78125 0.30425 1.0000 + Sn Sn847 1.0 0.08333 0.81250 0.30425 1.0000 + Sn Sn848 1.0 0.11458 0.84375 0.30425 1.0000 + Sn Sn849 1.0 0.67708 0.34375 0.30425 1.0000 + Sn Sn850 1.0 0.70833 0.37500 0.30425 1.0000 + Sn Sn851 1.0 0.73958 0.40625 0.30425 1.0000 + Sn Sn852 1.0 0.77083 0.43750 0.30425 1.0000 + Sn Sn853 1.0 0.80208 0.46875 0.30425 1.0000 + Sn Sn854 1.0 0.83333 0.50000 0.30425 1.0000 + Sn Sn855 1.0 0.86458 0.53125 0.30425 1.0000 + Sn Sn856 1.0 0.89583 0.56250 0.30425 1.0000 + Sn Sn857 1.0 0.92708 0.59375 0.30425 1.0000 + Sn Sn858 1.0 0.95833 0.62500 0.30425 1.0000 + Sn Sn859 1.0 0.98958 0.65625 0.30425 1.0000 + Sn Sn860 1.0 0.02083 0.68750 0.30425 1.0000 + Sn Sn861 1.0 0.05208 0.71875 0.30425 1.0000 + Sn Sn862 1.0 0.08333 0.75000 0.30425 1.0000 + Sn Sn863 1.0 0.11458 0.78125 0.30425 1.0000 + Sn Sn864 1.0 0.14583 0.81250 0.30425 1.0000 + Sn Sn865 1.0 0.70833 0.31250 0.30425 1.0000 + Sn Sn866 1.0 0.73958 0.34375 0.30425 1.0000 + Sn Sn867 1.0 0.77083 0.37500 0.30425 1.0000 + Sn Sn868 1.0 0.80208 0.40625 0.30425 1.0000 + Sn Sn869 1.0 0.83333 0.43750 0.30425 1.0000 + Sn Sn870 1.0 0.86458 0.46875 0.30425 1.0000 + Sn Sn871 1.0 0.89583 0.50000 0.30425 1.0000 + Sn Sn872 1.0 0.92708 0.53125 0.30425 1.0000 + Sn Sn873 1.0 0.95833 0.56250 0.30425 1.0000 + Sn Sn874 1.0 0.98958 0.59375 0.30425 1.0000 + Sn Sn875 1.0 0.02083 0.62500 0.30425 1.0000 + Sn Sn876 1.0 0.05208 0.65625 0.30425 1.0000 + Sn Sn877 1.0 0.08333 0.68750 0.30425 1.0000 + Sn Sn878 1.0 0.11458 0.71875 0.30425 1.0000 + Sn Sn879 1.0 0.14583 0.75000 0.30425 1.0000 + Sn Sn880 1.0 0.17708 0.78125 0.30425 1.0000 + Sn Sn881 1.0 0.73958 0.28125 0.30425 1.0000 + Sn Sn882 1.0 0.77083 0.31250 0.30425 1.0000 + Sn Sn883 1.0 0.80208 0.34375 0.30425 1.0000 + Sn Sn884 1.0 0.83333 0.37500 0.30425 1.0000 + Sn Sn885 1.0 0.86458 0.40625 0.30425 1.0000 + Sn Sn886 1.0 0.89583 0.43750 0.30425 1.0000 + Sn Sn887 1.0 0.92708 0.46875 0.30425 1.0000 + Sn Sn888 1.0 0.95833 0.50000 0.30425 1.0000 + Sn Sn889 1.0 0.98958 0.53125 0.30425 1.0000 + Sn Sn890 1.0 0.02083 0.56250 0.30425 1.0000 + Sn Sn891 1.0 0.05208 0.59375 0.30425 1.0000 + Sn Sn892 1.0 0.08333 0.62500 0.30425 1.0000 + Sn Sn893 1.0 0.11458 0.65625 0.30425 1.0000 + Sn Sn894 1.0 0.14583 0.68750 0.30425 1.0000 + Sn Sn895 1.0 0.17708 0.71875 0.30425 1.0000 + Sn Sn896 1.0 0.20833 0.75000 0.30425 1.0000 + Sn Sn897 1.0 0.77083 0.25000 0.30425 1.0000 + Sn Sn898 1.0 0.80208 0.28125 0.30425 1.0000 + Sn Sn899 1.0 0.83333 0.31250 0.30425 1.0000 + Sn Sn900 1.0 0.86458 0.34375 0.30425 1.0000 + Sn Sn901 1.0 0.89583 0.37500 0.30425 1.0000 + Sn Sn902 1.0 0.92708 0.40625 0.30425 1.0000 + Sn Sn903 1.0 0.95833 0.43750 0.30425 1.0000 + Sn Sn904 1.0 0.98958 0.46875 0.30425 1.0000 + Sn Sn905 1.0 0.02083 0.50000 0.30425 1.0000 + Sn Sn906 1.0 0.05208 0.53125 0.30425 1.0000 + Sn Sn907 1.0 0.08333 0.56250 0.30425 1.0000 + Sn Sn908 1.0 0.11458 0.59375 0.30425 1.0000 + Sn Sn909 1.0 0.14583 0.62500 0.30425 1.0000 + Sn Sn910 1.0 0.17708 0.65625 0.30425 1.0000 + Sn Sn911 1.0 0.20833 0.68750 0.30425 1.0000 + Sn Sn912 1.0 0.23958 0.71875 0.30425 1.0000 + Sn Sn913 1.0 0.80208 0.21875 0.30425 1.0000 + Sn Sn914 1.0 0.83333 0.25000 0.30425 1.0000 + Sn Sn915 1.0 0.86458 0.28125 0.30425 1.0000 + Sn Sn916 1.0 0.89583 0.31250 0.30425 1.0000 + Sn Sn917 1.0 0.92708 0.34375 0.30425 1.0000 + Sn Sn918 1.0 0.95833 0.37500 0.30425 1.0000 + Sn Sn919 1.0 0.98958 0.40625 0.30425 1.0000 + Sn Sn920 1.0 0.02083 0.43750 0.30425 1.0000 + Sn Sn921 1.0 0.05208 0.46875 0.30425 1.0000 + Sn Sn922 1.0 0.08333 0.50000 0.30425 1.0000 + Sn Sn923 1.0 0.11458 0.53125 0.30425 1.0000 + Sn Sn924 1.0 0.14583 0.56250 0.30425 1.0000 + Sn Sn925 1.0 0.17708 0.59375 0.30425 1.0000 + Sn Sn926 1.0 0.20833 0.62500 0.30425 1.0000 + Sn Sn927 1.0 0.23958 0.65625 0.30425 1.0000 + Sn Sn928 1.0 0.27083 0.68750 0.30425 1.0000 + Sn Sn929 1.0 0.83333 0.18750 0.30425 1.0000 + Sn Sn930 1.0 0.86458 0.21875 0.30425 1.0000 + Sn Sn931 1.0 0.89583 0.25000 0.30425 1.0000 + Sn Sn932 1.0 0.92708 0.28125 0.30425 1.0000 + Sn Sn933 1.0 0.95833 0.31250 0.30425 1.0000 + Sn Sn934 1.0 0.98958 0.34375 0.30425 1.0000 + Sn Sn935 1.0 0.02083 0.37500 0.30425 1.0000 + Sn Sn936 1.0 0.05208 0.40625 0.30425 1.0000 + Sn Sn937 1.0 0.08333 0.43750 0.30425 1.0000 + Sn Sn938 1.0 0.11458 0.46875 0.30425 1.0000 + Sn Sn939 1.0 0.14583 0.50000 0.30425 1.0000 + Sn Sn940 1.0 0.17708 0.53125 0.30425 1.0000 + Sn Sn941 1.0 0.20833 0.56250 0.30425 1.0000 + Sn Sn942 1.0 0.23958 0.59375 0.30425 1.0000 + Sn Sn943 1.0 0.27083 0.62500 0.30425 1.0000 + Sn Sn944 1.0 0.30208 0.65625 0.30425 1.0000 + Sn Sn945 1.0 0.86458 0.15625 0.30425 1.0000 + Sn Sn946 1.0 0.89583 0.18750 0.30425 1.0000 + Sn Sn947 1.0 0.92708 0.21875 0.30425 1.0000 + Sn Sn948 1.0 0.95833 0.25000 0.30425 1.0000 + Sn Sn949 1.0 0.98958 0.28125 0.30425 1.0000 + Sn Sn950 1.0 0.02083 0.31250 0.30425 1.0000 + Sn Sn951 1.0 0.05208 0.34375 0.30425 1.0000 + Sn Sn952 1.0 0.08333 0.37500 0.30425 1.0000 + Sn Sn953 1.0 0.11458 0.40625 0.30425 1.0000 + Sn Sn954 1.0 0.14583 0.43750 0.30425 1.0000 + Sn Sn955 1.0 0.17708 0.46875 0.30425 1.0000 + Sn Sn956 1.0 0.20833 0.50000 0.30425 1.0000 + Sn Sn957 1.0 0.23958 0.53125 0.30425 1.0000 + Sn Sn958 1.0 0.27083 0.56250 0.30425 1.0000 + Sn Sn959 1.0 0.30208 0.59375 0.30425 1.0000 + Sn Sn960 1.0 0.33333 0.62500 0.30425 1.0000 + Sn Sn961 1.0 0.89583 0.12500 0.30425 1.0000 + Sn Sn962 1.0 0.92708 0.15625 0.30425 1.0000 + Sn Sn963 1.0 0.95833 0.18750 0.30425 1.0000 + Sn Sn964 1.0 0.98958 0.21875 0.30425 1.0000 + Sn Sn965 1.0 0.02083 0.25000 0.30425 1.0000 + Sn Sn966 1.0 0.05208 0.28125 0.30425 1.0000 + Sn Sn967 1.0 0.08333 0.31250 0.30425 1.0000 + Sn Sn968 1.0 0.11458 0.34375 0.30425 1.0000 + Sn Sn969 1.0 0.14583 0.37500 0.30425 1.0000 + Sn Sn970 1.0 0.17708 0.40625 0.30425 1.0000 + Sn Sn971 1.0 0.20833 0.43750 0.30425 1.0000 + Sn Sn972 1.0 0.23958 0.46875 0.30425 1.0000 + Sn Sn973 1.0 0.27083 0.50000 0.30425 1.0000 + Sn Sn974 1.0 0.30208 0.53125 0.30425 1.0000 + Sn Sn975 1.0 0.33333 0.56250 0.30425 1.0000 + Sn Sn976 1.0 0.36458 0.59375 0.30425 1.0000 + Sn Sn977 1.0 0.92708 0.09375 0.30425 1.0000 + Sn Sn978 1.0 0.95833 0.12500 0.30425 1.0000 + Sn Sn979 1.0 0.98958 0.15625 0.30425 1.0000 + Sn Sn980 1.0 0.02083 0.18750 0.30425 1.0000 + Sn Sn981 1.0 0.05208 0.21875 0.30425 1.0000 + Sn Sn982 1.0 0.08333 0.25000 0.30425 1.0000 + Sn Sn983 1.0 0.11458 0.28125 0.30425 1.0000 + Sn Sn984 1.0 0.14583 0.31250 0.30425 1.0000 + Sn Sn985 1.0 0.17708 0.34375 0.30425 1.0000 + Sn Sn986 1.0 0.20833 0.37500 0.30425 1.0000 + Sn Sn987 1.0 0.23958 0.40625 0.30425 1.0000 + Sn Sn988 1.0 0.27083 0.43750 0.30425 1.0000 + Sn Sn989 1.0 0.30208 0.46875 0.30425 1.0000 + Sn Sn990 1.0 0.33333 0.50000 0.30425 1.0000 + Sn Sn991 1.0 0.36458 0.53125 0.30425 1.0000 + Sn Sn992 1.0 0.39583 0.56250 0.30425 1.0000 + Sn Sn993 1.0 0.95833 0.06250 0.30425 1.0000 + Sn Sn994 1.0 0.98958 0.09375 0.30425 1.0000 + Sn Sn995 1.0 0.02083 0.12500 0.30425 1.0000 + Sn Sn996 1.0 0.05208 0.15625 0.30425 1.0000 + Sn Sn997 1.0 0.08333 0.18750 0.30425 1.0000 + Sn Sn998 1.0 0.11458 0.21875 0.30425 1.0000 + Sn Sn999 1.0 0.14583 0.25000 0.30425 1.0000 + Sn Sn1000 1.0 0.17708 0.28125 0.30425 1.0000 + Sn Sn1001 1.0 0.20833 0.31250 0.30425 1.0000 + Sn Sn1002 1.0 0.23958 0.34375 0.30425 1.0000 + Sn Sn1003 1.0 0.27083 0.37500 0.30425 1.0000 + Sn Sn1004 1.0 0.30208 0.40625 0.30425 1.0000 + Sn Sn1005 1.0 0.33333 0.43750 0.30425 1.0000 + Sn Sn1006 1.0 0.36458 0.46875 0.30425 1.0000 + Sn Sn1007 1.0 0.39583 0.50000 0.30425 1.0000 + Sn Sn1008 1.0 0.42708 0.53125 0.30425 1.0000 + Sn Sn1009 1.0 0.98958 0.03125 0.30425 1.0000 + Sn Sn1010 1.0 0.02083 0.06250 0.30425 1.0000 + Sn Sn1011 1.0 0.05208 0.09375 0.30425 1.0000 + Sn Sn1012 1.0 0.08333 0.12500 0.30425 1.0000 + Sn Sn1013 1.0 0.11458 0.15625 0.30425 1.0000 + Sn Sn1014 1.0 0.14583 0.18750 0.30425 1.0000 + Sn Sn1015 1.0 0.17708 0.21875 0.30425 1.0000 + Sn Sn1016 1.0 0.20833 0.25000 0.30425 1.0000 + Sn Sn1017 1.0 0.23958 0.28125 0.30425 1.0000 + Sn Sn1018 1.0 0.27083 0.31250 0.30425 1.0000 + Sn Sn1019 1.0 0.30208 0.34375 0.30425 1.0000 + Sn Sn1020 1.0 0.33333 0.37500 0.30425 1.0000 + Sn Sn1021 1.0 0.36458 0.40625 0.30425 1.0000 + Sn Sn1022 1.0 0.39583 0.43750 0.30425 1.0000 + Sn Sn1023 1.0 0.42708 0.46875 0.30425 1.0000 + Sn Sn1024 1.0 0.45833 0.50000 0.30425 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5952_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5952_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..0bd08d5c4c28ea89eb09c9106f3768de85d7b722 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5952_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural Pd1024 +_chemical_formula_sum "Pd1024" +_cell_length_a 43.1445 +_cell_length_b 74.6225 +_cell_length_c 6.36923 +_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 + Pd Pd1 1.0 0.04687 0.03650 0.31460 1.0000 + Pd Pd2 1.0 0.04687 0.09900 0.31460 1.0000 + Pd Pd3 1.0 0.04687 0.16150 0.31460 1.0000 + Pd Pd4 1.0 0.04687 0.22400 0.31460 1.0000 + Pd Pd5 1.0 0.04687 0.28650 0.31460 1.0000 + Pd Pd6 1.0 0.04687 0.34900 0.31460 1.0000 + Pd Pd7 1.0 0.04687 0.41150 0.31460 1.0000 + Pd Pd8 1.0 0.04687 0.47400 0.31460 1.0000 + Pd Pd9 1.0 0.04687 0.53650 0.31460 1.0000 + Pd Pd10 1.0 0.04687 0.59900 0.31460 1.0000 + Pd Pd11 1.0 0.04687 0.66150 0.31460 1.0000 + Pd Pd12 1.0 0.04687 0.72400 0.31460 1.0000 + Pd Pd13 1.0 0.04687 0.78650 0.31460 1.0000 + Pd Pd14 1.0 0.04687 0.84900 0.31460 1.0000 + Pd Pd15 1.0 0.04687 0.91150 0.31460 1.0000 + Pd Pd16 1.0 0.04687 0.97400 0.31460 1.0000 + Pd Pd17 1.0 0.10937 0.03650 0.31460 1.0000 + Pd Pd18 1.0 0.10937 0.09900 0.31460 1.0000 + Pd Pd19 1.0 0.10937 0.16150 0.31460 1.0000 + Pd Pd20 1.0 0.10937 0.22400 0.31460 1.0000 + Pd Pd21 1.0 0.10937 0.28650 0.31460 1.0000 + Pd Pd22 1.0 0.10937 0.34900 0.31460 1.0000 + Pd Pd23 1.0 0.10937 0.41150 0.31460 1.0000 + Pd Pd24 1.0 0.10937 0.47400 0.31460 1.0000 + Pd Pd25 1.0 0.10937 0.53650 0.31460 1.0000 + Pd Pd26 1.0 0.10937 0.59900 0.31460 1.0000 + Pd Pd27 1.0 0.10937 0.66150 0.31460 1.0000 + Pd Pd28 1.0 0.10937 0.72400 0.31460 1.0000 + Pd Pd29 1.0 0.10937 0.78650 0.31460 1.0000 + Pd Pd30 1.0 0.10937 0.84900 0.31460 1.0000 + Pd Pd31 1.0 0.10937 0.91150 0.31460 1.0000 + Pd Pd32 1.0 0.10937 0.97400 0.31460 1.0000 + Pd Pd33 1.0 0.17187 0.03650 0.31460 1.0000 + Pd Pd34 1.0 0.17187 0.09900 0.31460 1.0000 + Pd Pd35 1.0 0.17187 0.16150 0.31460 1.0000 + Pd Pd36 1.0 0.17187 0.22400 0.31460 1.0000 + Pd Pd37 1.0 0.17187 0.28650 0.31460 1.0000 + Pd Pd38 1.0 0.17187 0.34900 0.31460 1.0000 + Pd Pd39 1.0 0.17187 0.41150 0.31460 1.0000 + Pd Pd40 1.0 0.17187 0.47400 0.31460 1.0000 + Pd Pd41 1.0 0.17187 0.53650 0.31460 1.0000 + Pd Pd42 1.0 0.17187 0.59900 0.31460 1.0000 + Pd Pd43 1.0 0.17187 0.66150 0.31460 1.0000 + Pd Pd44 1.0 0.17187 0.72400 0.31460 1.0000 + Pd Pd45 1.0 0.17187 0.78650 0.31460 1.0000 + Pd Pd46 1.0 0.17187 0.84900 0.31460 1.0000 + Pd Pd47 1.0 0.17187 0.91150 0.31460 1.0000 + Pd Pd48 1.0 0.17187 0.97400 0.31460 1.0000 + Pd Pd49 1.0 0.23437 0.03650 0.31460 1.0000 + Pd Pd50 1.0 0.23437 0.09900 0.31460 1.0000 + Pd Pd51 1.0 0.23437 0.16150 0.31460 1.0000 + Pd Pd52 1.0 0.23437 0.22400 0.31460 1.0000 + Pd Pd53 1.0 0.23437 0.28650 0.31460 1.0000 + Pd Pd54 1.0 0.23437 0.34900 0.31460 1.0000 + Pd Pd55 1.0 0.23437 0.41150 0.31460 1.0000 + Pd Pd56 1.0 0.23437 0.47400 0.31460 1.0000 + Pd Pd57 1.0 0.23437 0.53650 0.31460 1.0000 + Pd Pd58 1.0 0.23437 0.59900 0.31460 1.0000 + Pd Pd59 1.0 0.23437 0.66150 0.31460 1.0000 + Pd Pd60 1.0 0.23437 0.72400 0.31460 1.0000 + Pd Pd61 1.0 0.23437 0.78650 0.31460 1.0000 + Pd Pd62 1.0 0.23437 0.84900 0.31460 1.0000 + Pd Pd63 1.0 0.23437 0.91150 0.31460 1.0000 + Pd Pd64 1.0 0.23437 0.97400 0.31460 1.0000 + Pd Pd65 1.0 0.29687 0.03650 0.31460 1.0000 + Pd Pd66 1.0 0.29687 0.09900 0.31460 1.0000 + Pd Pd67 1.0 0.29687 0.16150 0.31460 1.0000 + Pd Pd68 1.0 0.29687 0.22400 0.31460 1.0000 + Pd Pd69 1.0 0.29687 0.28650 0.31460 1.0000 + Pd Pd70 1.0 0.29687 0.34900 0.31460 1.0000 + Pd Pd71 1.0 0.29687 0.41150 0.31460 1.0000 + Pd Pd72 1.0 0.29687 0.47400 0.31460 1.0000 + Pd Pd73 1.0 0.29687 0.53650 0.31460 1.0000 + Pd Pd74 1.0 0.29687 0.59900 0.31460 1.0000 + Pd Pd75 1.0 0.29687 0.66150 0.31460 1.0000 + Pd Pd76 1.0 0.29687 0.72400 0.31460 1.0000 + Pd Pd77 1.0 0.29687 0.78650 0.31460 1.0000 + Pd Pd78 1.0 0.29687 0.84900 0.31460 1.0000 + Pd Pd79 1.0 0.29687 0.91150 0.31460 1.0000 + Pd Pd80 1.0 0.29687 0.97400 0.31460 1.0000 + Pd Pd81 1.0 0.35937 0.03650 0.31460 1.0000 + Pd Pd82 1.0 0.35937 0.09900 0.31460 1.0000 + Pd Pd83 1.0 0.35937 0.16150 0.31460 1.0000 + Pd Pd84 1.0 0.35937 0.22400 0.31460 1.0000 + Pd Pd85 1.0 0.35937 0.28650 0.31460 1.0000 + Pd Pd86 1.0 0.35937 0.34900 0.31460 1.0000 + Pd Pd87 1.0 0.35937 0.41150 0.31460 1.0000 + Pd Pd88 1.0 0.35937 0.47400 0.31460 1.0000 + Pd Pd89 1.0 0.35937 0.53650 0.31460 1.0000 + Pd Pd90 1.0 0.35937 0.59900 0.31460 1.0000 + Pd Pd91 1.0 0.35937 0.66150 0.31460 1.0000 + Pd Pd92 1.0 0.35937 0.72400 0.31460 1.0000 + Pd Pd93 1.0 0.35937 0.78650 0.31460 1.0000 + Pd Pd94 1.0 0.35937 0.84900 0.31460 1.0000 + Pd Pd95 1.0 0.35937 0.91150 0.31460 1.0000 + Pd Pd96 1.0 0.35937 0.97400 0.31460 1.0000 + Pd Pd97 1.0 0.42187 0.03650 0.31460 1.0000 + Pd Pd98 1.0 0.42187 0.09900 0.31460 1.0000 + Pd Pd99 1.0 0.42187 0.16150 0.31460 1.0000 + Pd Pd100 1.0 0.42187 0.22400 0.31460 1.0000 + Pd Pd101 1.0 0.42187 0.28650 0.31460 1.0000 + Pd Pd102 1.0 0.42187 0.34900 0.31460 1.0000 + Pd Pd103 1.0 0.42187 0.41150 0.31460 1.0000 + Pd Pd104 1.0 0.42187 0.47400 0.31460 1.0000 + Pd Pd105 1.0 0.42187 0.53650 0.31460 1.0000 + Pd Pd106 1.0 0.42187 0.59900 0.31460 1.0000 + Pd Pd107 1.0 0.42187 0.66150 0.31460 1.0000 + Pd Pd108 1.0 0.42187 0.72400 0.31460 1.0000 + Pd Pd109 1.0 0.42187 0.78650 0.31460 1.0000 + Pd Pd110 1.0 0.42187 0.84900 0.31460 1.0000 + Pd Pd111 1.0 0.42187 0.91150 0.31460 1.0000 + Pd Pd112 1.0 0.42187 0.97400 0.31460 1.0000 + Pd Pd113 1.0 0.48437 0.03650 0.31460 1.0000 + Pd Pd114 1.0 0.48437 0.09900 0.31460 1.0000 + Pd Pd115 1.0 0.48437 0.16150 0.31460 1.0000 + Pd Pd116 1.0 0.48437 0.22400 0.31460 1.0000 + Pd Pd117 1.0 0.48437 0.28650 0.31460 1.0000 + Pd Pd118 1.0 0.48437 0.34900 0.31460 1.0000 + Pd Pd119 1.0 0.48437 0.41150 0.31460 1.0000 + Pd Pd120 1.0 0.48437 0.47400 0.31460 1.0000 + Pd Pd121 1.0 0.48437 0.53650 0.31460 1.0000 + Pd Pd122 1.0 0.48437 0.59900 0.31460 1.0000 + Pd Pd123 1.0 0.48437 0.66150 0.31460 1.0000 + Pd Pd124 1.0 0.48437 0.72400 0.31460 1.0000 + Pd Pd125 1.0 0.48437 0.78650 0.31460 1.0000 + Pd Pd126 1.0 0.48437 0.84900 0.31460 1.0000 + Pd Pd127 1.0 0.48437 0.91150 0.31460 1.0000 + Pd Pd128 1.0 0.48437 0.97400 0.31460 1.0000 + Pd Pd129 1.0 0.54687 0.03650 0.31460 1.0000 + Pd Pd130 1.0 0.54687 0.09900 0.31460 1.0000 + Pd Pd131 1.0 0.54687 0.16150 0.31460 1.0000 + Pd Pd132 1.0 0.54687 0.22400 0.31460 1.0000 + Pd Pd133 1.0 0.54687 0.28650 0.31460 1.0000 + Pd Pd134 1.0 0.54687 0.34900 0.31460 1.0000 + Pd Pd135 1.0 0.54687 0.41150 0.31460 1.0000 + Pd Pd136 1.0 0.54687 0.47400 0.31460 1.0000 + Pd Pd137 1.0 0.54687 0.53650 0.31460 1.0000 + Pd Pd138 1.0 0.54687 0.59900 0.31460 1.0000 + Pd Pd139 1.0 0.54687 0.66150 0.31460 1.0000 + Pd Pd140 1.0 0.54687 0.72400 0.31460 1.0000 + Pd Pd141 1.0 0.54687 0.78650 0.31460 1.0000 + Pd Pd142 1.0 0.54687 0.84900 0.31460 1.0000 + Pd Pd143 1.0 0.54687 0.91150 0.31460 1.0000 + Pd Pd144 1.0 0.54687 0.97400 0.31460 1.0000 + Pd Pd145 1.0 0.60937 0.03650 0.31460 1.0000 + Pd Pd146 1.0 0.60937 0.09900 0.31460 1.0000 + Pd Pd147 1.0 0.60937 0.16150 0.31460 1.0000 + Pd Pd148 1.0 0.60937 0.22400 0.31460 1.0000 + Pd Pd149 1.0 0.60937 0.28650 0.31460 1.0000 + Pd Pd150 1.0 0.60937 0.34900 0.31460 1.0000 + Pd Pd151 1.0 0.60937 0.41150 0.31460 1.0000 + Pd Pd152 1.0 0.60937 0.47400 0.31460 1.0000 + Pd Pd153 1.0 0.60937 0.53650 0.31460 1.0000 + Pd Pd154 1.0 0.60937 0.59900 0.31460 1.0000 + Pd Pd155 1.0 0.60937 0.66150 0.31460 1.0000 + Pd Pd156 1.0 0.60937 0.72400 0.31460 1.0000 + Pd Pd157 1.0 0.60937 0.78650 0.31460 1.0000 + Pd Pd158 1.0 0.60937 0.84900 0.31460 1.0000 + Pd Pd159 1.0 0.60937 0.91150 0.31460 1.0000 + Pd Pd160 1.0 0.60937 0.97400 0.31460 1.0000 + Pd Pd161 1.0 0.67187 0.03650 0.31460 1.0000 + Pd Pd162 1.0 0.67187 0.09900 0.31460 1.0000 + Pd Pd163 1.0 0.67187 0.16150 0.31460 1.0000 + Pd Pd164 1.0 0.67187 0.22400 0.31460 1.0000 + Pd Pd165 1.0 0.67187 0.28650 0.31460 1.0000 + Pd Pd166 1.0 0.67187 0.34900 0.31460 1.0000 + Pd Pd167 1.0 0.67187 0.41150 0.31460 1.0000 + Pd Pd168 1.0 0.67187 0.47400 0.31460 1.0000 + Pd Pd169 1.0 0.67187 0.53650 0.31460 1.0000 + Pd Pd170 1.0 0.67187 0.59900 0.31460 1.0000 + Pd Pd171 1.0 0.67187 0.66150 0.31460 1.0000 + Pd Pd172 1.0 0.67187 0.72400 0.31460 1.0000 + Pd Pd173 1.0 0.67187 0.78650 0.31460 1.0000 + Pd Pd174 1.0 0.67187 0.84900 0.31460 1.0000 + Pd Pd175 1.0 0.67187 0.91150 0.31460 1.0000 + Pd Pd176 1.0 0.67187 0.97400 0.31460 1.0000 + Pd Pd177 1.0 0.73437 0.03650 0.31460 1.0000 + Pd Pd178 1.0 0.73437 0.09900 0.31460 1.0000 + Pd Pd179 1.0 0.73437 0.16150 0.31460 1.0000 + Pd Pd180 1.0 0.73437 0.22400 0.31460 1.0000 + Pd Pd181 1.0 0.73437 0.28650 0.31460 1.0000 + Pd Pd182 1.0 0.73437 0.34900 0.31460 1.0000 + Pd Pd183 1.0 0.73437 0.41150 0.31460 1.0000 + Pd Pd184 1.0 0.73437 0.47400 0.31460 1.0000 + Pd Pd185 1.0 0.73437 0.53650 0.31460 1.0000 + Pd Pd186 1.0 0.73437 0.59900 0.31460 1.0000 + Pd Pd187 1.0 0.73437 0.66150 0.31460 1.0000 + Pd Pd188 1.0 0.73437 0.72400 0.31460 1.0000 + Pd Pd189 1.0 0.73437 0.78650 0.31460 1.0000 + Pd Pd190 1.0 0.73437 0.84900 0.31460 1.0000 + Pd Pd191 1.0 0.73437 0.91150 0.31460 1.0000 + Pd Pd192 1.0 0.73437 0.97400 0.31460 1.0000 + Pd Pd193 1.0 0.79687 0.03650 0.31460 1.0000 + Pd Pd194 1.0 0.79687 0.09900 0.31460 1.0000 + Pd Pd195 1.0 0.79687 0.16150 0.31460 1.0000 + Pd Pd196 1.0 0.79687 0.22400 0.31460 1.0000 + Pd Pd197 1.0 0.79687 0.28650 0.31460 1.0000 + Pd Pd198 1.0 0.79687 0.34900 0.31460 1.0000 + Pd Pd199 1.0 0.79687 0.41150 0.31460 1.0000 + Pd Pd200 1.0 0.79687 0.47400 0.31460 1.0000 + Pd Pd201 1.0 0.79687 0.53650 0.31460 1.0000 + Pd Pd202 1.0 0.79687 0.59900 0.31460 1.0000 + Pd Pd203 1.0 0.79687 0.66150 0.31460 1.0000 + Pd Pd204 1.0 0.79687 0.72400 0.31460 1.0000 + Pd Pd205 1.0 0.79687 0.78650 0.31460 1.0000 + Pd Pd206 1.0 0.79687 0.84900 0.31460 1.0000 + Pd Pd207 1.0 0.79687 0.91150 0.31460 1.0000 + Pd Pd208 1.0 0.79687 0.97400 0.31460 1.0000 + Pd Pd209 1.0 0.85937 0.03650 0.31460 1.0000 + Pd Pd210 1.0 0.85937 0.09900 0.31460 1.0000 + Pd Pd211 1.0 0.85937 0.16150 0.31460 1.0000 + Pd Pd212 1.0 0.85937 0.22400 0.31460 1.0000 + Pd Pd213 1.0 0.85937 0.28650 0.31460 1.0000 + Pd Pd214 1.0 0.85937 0.34900 0.31460 1.0000 + Pd Pd215 1.0 0.85937 0.41150 0.31460 1.0000 + Pd Pd216 1.0 0.85937 0.47400 0.31460 1.0000 + Pd Pd217 1.0 0.85937 0.53650 0.31460 1.0000 + Pd Pd218 1.0 0.85937 0.59900 0.31460 1.0000 + Pd Pd219 1.0 0.85937 0.66150 0.31460 1.0000 + Pd Pd220 1.0 0.85937 0.72400 0.31460 1.0000 + Pd Pd221 1.0 0.85937 0.78650 0.31460 1.0000 + Pd Pd222 1.0 0.85937 0.84900 0.31460 1.0000 + Pd Pd223 1.0 0.85937 0.91150 0.31460 1.0000 + Pd Pd224 1.0 0.85937 0.97400 0.31460 1.0000 + Pd Pd225 1.0 0.92187 0.03650 0.31460 1.0000 + Pd Pd226 1.0 0.92187 0.09900 0.31460 1.0000 + Pd Pd227 1.0 0.92187 0.16150 0.31460 1.0000 + Pd Pd228 1.0 0.92187 0.22400 0.31460 1.0000 + Pd Pd229 1.0 0.92187 0.28650 0.31460 1.0000 + Pd Pd230 1.0 0.92187 0.34900 0.31460 1.0000 + Pd Pd231 1.0 0.92187 0.41150 0.31460 1.0000 + Pd Pd232 1.0 0.92187 0.47400 0.31460 1.0000 + Pd Pd233 1.0 0.92187 0.53650 0.31460 1.0000 + Pd Pd234 1.0 0.92187 0.59900 0.31460 1.0000 + Pd Pd235 1.0 0.92187 0.66150 0.31460 1.0000 + Pd Pd236 1.0 0.92187 0.72400 0.31460 1.0000 + Pd Pd237 1.0 0.92187 0.78650 0.31460 1.0000 + Pd Pd238 1.0 0.92187 0.84900 0.31460 1.0000 + Pd Pd239 1.0 0.92187 0.91150 0.31460 1.0000 + Pd Pd240 1.0 0.92187 0.97400 0.31460 1.0000 + Pd Pd241 1.0 0.98437 0.03650 0.31460 1.0000 + Pd Pd242 1.0 0.98437 0.09900 0.31460 1.0000 + Pd Pd243 1.0 0.98437 0.16150 0.31460 1.0000 + Pd Pd244 1.0 0.98437 0.22400 0.31460 1.0000 + Pd Pd245 1.0 0.98437 0.28650 0.31460 1.0000 + Pd Pd246 1.0 0.98437 0.34900 0.31460 1.0000 + Pd Pd247 1.0 0.98437 0.41150 0.31460 1.0000 + Pd Pd248 1.0 0.98437 0.47400 0.31460 1.0000 + Pd Pd249 1.0 0.98437 0.53650 0.31460 1.0000 + Pd Pd250 1.0 0.98437 0.59900 0.31460 1.0000 + Pd Pd251 1.0 0.98437 0.66150 0.31460 1.0000 + Pd Pd252 1.0 0.98437 0.72400 0.31460 1.0000 + Pd Pd253 1.0 0.98437 0.78650 0.31460 1.0000 + Pd Pd254 1.0 0.98437 0.84900 0.31460 1.0000 + Pd Pd255 1.0 0.98437 0.91150 0.31460 1.0000 + Pd Pd256 1.0 0.98437 0.97400 0.31460 1.0000 + Pd Pd257 1.0 0.01563 0.02600 0.68540 1.0000 + Pd Pd258 1.0 0.01563 0.08850 0.68540 1.0000 + Pd Pd259 1.0 0.01563 0.15100 0.68540 1.0000 + Pd Pd260 1.0 0.01563 0.21350 0.68540 1.0000 + Pd Pd261 1.0 0.01563 0.27600 0.68540 1.0000 + Pd Pd262 1.0 0.01563 0.33850 0.68540 1.0000 + Pd Pd263 1.0 0.01563 0.40100 0.68540 1.0000 + Pd Pd264 1.0 0.01563 0.46350 0.68540 1.0000 + Pd Pd265 1.0 0.01563 0.52600 0.68540 1.0000 + Pd Pd266 1.0 0.01563 0.58850 0.68540 1.0000 + Pd Pd267 1.0 0.01563 0.65100 0.68540 1.0000 + Pd Pd268 1.0 0.01563 0.71350 0.68540 1.0000 + Pd Pd269 1.0 0.01563 0.77600 0.68540 1.0000 + Pd Pd270 1.0 0.01563 0.83850 0.68540 1.0000 + Pd Pd271 1.0 0.01563 0.90100 0.68540 1.0000 + Pd Pd272 1.0 0.01563 0.96350 0.68540 1.0000 + Pd Pd273 1.0 0.07813 0.02600 0.68540 1.0000 + Pd Pd274 1.0 0.07813 0.08850 0.68540 1.0000 + Pd Pd275 1.0 0.07813 0.15100 0.68540 1.0000 + Pd Pd276 1.0 0.07813 0.21350 0.68540 1.0000 + Pd Pd277 1.0 0.07813 0.27600 0.68540 1.0000 + Pd Pd278 1.0 0.07813 0.33850 0.68540 1.0000 + Pd Pd279 1.0 0.07813 0.40100 0.68540 1.0000 + Pd Pd280 1.0 0.07813 0.46350 0.68540 1.0000 + Pd Pd281 1.0 0.07813 0.52600 0.68540 1.0000 + Pd Pd282 1.0 0.07813 0.58850 0.68540 1.0000 + Pd Pd283 1.0 0.07813 0.65100 0.68540 1.0000 + Pd Pd284 1.0 0.07813 0.71350 0.68540 1.0000 + Pd Pd285 1.0 0.07813 0.77600 0.68540 1.0000 + Pd Pd286 1.0 0.07813 0.83850 0.68540 1.0000 + Pd Pd287 1.0 0.07813 0.90100 0.68540 1.0000 + Pd Pd288 1.0 0.07813 0.96350 0.68540 1.0000 + Pd Pd289 1.0 0.14063 0.02600 0.68540 1.0000 + Pd Pd290 1.0 0.14063 0.08850 0.68540 1.0000 + Pd Pd291 1.0 0.14063 0.15100 0.68540 1.0000 + Pd Pd292 1.0 0.14063 0.21350 0.68540 1.0000 + Pd Pd293 1.0 0.14063 0.27600 0.68540 1.0000 + Pd Pd294 1.0 0.14063 0.33850 0.68540 1.0000 + Pd Pd295 1.0 0.14063 0.40100 0.68540 1.0000 + Pd Pd296 1.0 0.14063 0.46350 0.68540 1.0000 + Pd Pd297 1.0 0.14063 0.52600 0.68540 1.0000 + Pd Pd298 1.0 0.14063 0.58850 0.68540 1.0000 + Pd Pd299 1.0 0.14063 0.65100 0.68540 1.0000 + Pd Pd300 1.0 0.14063 0.71350 0.68540 1.0000 + Pd Pd301 1.0 0.14063 0.77600 0.68540 1.0000 + Pd Pd302 1.0 0.14063 0.83850 0.68540 1.0000 + Pd Pd303 1.0 0.14063 0.90100 0.68540 1.0000 + Pd Pd304 1.0 0.14063 0.96350 0.68540 1.0000 + Pd Pd305 1.0 0.20313 0.02600 0.68540 1.0000 + Pd Pd306 1.0 0.20313 0.08850 0.68540 1.0000 + Pd Pd307 1.0 0.20313 0.15100 0.68540 1.0000 + Pd Pd308 1.0 0.20313 0.21350 0.68540 1.0000 + Pd Pd309 1.0 0.20313 0.27600 0.68540 1.0000 + Pd Pd310 1.0 0.20313 0.33850 0.68540 1.0000 + Pd Pd311 1.0 0.20313 0.40100 0.68540 1.0000 + Pd Pd312 1.0 0.20313 0.46350 0.68540 1.0000 + Pd Pd313 1.0 0.20313 0.52600 0.68540 1.0000 + Pd Pd314 1.0 0.20313 0.58850 0.68540 1.0000 + Pd Pd315 1.0 0.20313 0.65100 0.68540 1.0000 + Pd Pd316 1.0 0.20313 0.71350 0.68540 1.0000 + Pd Pd317 1.0 0.20313 0.77600 0.68540 1.0000 + Pd Pd318 1.0 0.20313 0.83850 0.68540 1.0000 + Pd Pd319 1.0 0.20313 0.90100 0.68540 1.0000 + Pd Pd320 1.0 0.20313 0.96350 0.68540 1.0000 + Pd Pd321 1.0 0.26563 0.02600 0.68540 1.0000 + Pd Pd322 1.0 0.26563 0.08850 0.68540 1.0000 + Pd Pd323 1.0 0.26563 0.15100 0.68540 1.0000 + Pd Pd324 1.0 0.26563 0.21350 0.68540 1.0000 + Pd Pd325 1.0 0.26563 0.27600 0.68540 1.0000 + Pd Pd326 1.0 0.26563 0.33850 0.68540 1.0000 + Pd Pd327 1.0 0.26563 0.40100 0.68540 1.0000 + Pd Pd328 1.0 0.26563 0.46350 0.68540 1.0000 + Pd Pd329 1.0 0.26563 0.52600 0.68540 1.0000 + Pd Pd330 1.0 0.26563 0.58850 0.68540 1.0000 + Pd Pd331 1.0 0.26563 0.65100 0.68540 1.0000 + Pd Pd332 1.0 0.26563 0.71350 0.68540 1.0000 + Pd Pd333 1.0 0.26563 0.77600 0.68540 1.0000 + Pd Pd334 1.0 0.26563 0.83850 0.68540 1.0000 + Pd Pd335 1.0 0.26563 0.90100 0.68540 1.0000 + Pd Pd336 1.0 0.26563 0.96350 0.68540 1.0000 + Pd Pd337 1.0 0.32813 0.02600 0.68540 1.0000 + Pd Pd338 1.0 0.32813 0.08850 0.68540 1.0000 + Pd Pd339 1.0 0.32813 0.15100 0.68540 1.0000 + Pd Pd340 1.0 0.32813 0.21350 0.68540 1.0000 + Pd Pd341 1.0 0.32813 0.27600 0.68540 1.0000 + Pd Pd342 1.0 0.32813 0.33850 0.68540 1.0000 + Pd Pd343 1.0 0.32813 0.40100 0.68540 1.0000 + Pd Pd344 1.0 0.32813 0.46350 0.68540 1.0000 + Pd Pd345 1.0 0.32813 0.52600 0.68540 1.0000 + Pd Pd346 1.0 0.32813 0.58850 0.68540 1.0000 + Pd Pd347 1.0 0.32813 0.65100 0.68540 1.0000 + Pd Pd348 1.0 0.32813 0.71350 0.68540 1.0000 + Pd Pd349 1.0 0.32813 0.77600 0.68540 1.0000 + Pd Pd350 1.0 0.32813 0.83850 0.68540 1.0000 + Pd Pd351 1.0 0.32813 0.90100 0.68540 1.0000 + Pd Pd352 1.0 0.32813 0.96350 0.68540 1.0000 + Pd Pd353 1.0 0.39063 0.02600 0.68540 1.0000 + Pd Pd354 1.0 0.39063 0.08850 0.68540 1.0000 + Pd Pd355 1.0 0.39063 0.15100 0.68540 1.0000 + Pd Pd356 1.0 0.39063 0.21350 0.68540 1.0000 + Pd Pd357 1.0 0.39063 0.27600 0.68540 1.0000 + Pd Pd358 1.0 0.39063 0.33850 0.68540 1.0000 + Pd Pd359 1.0 0.39063 0.40100 0.68540 1.0000 + Pd Pd360 1.0 0.39063 0.46350 0.68540 1.0000 + Pd Pd361 1.0 0.39063 0.52600 0.68540 1.0000 + Pd Pd362 1.0 0.39063 0.58850 0.68540 1.0000 + Pd Pd363 1.0 0.39063 0.65100 0.68540 1.0000 + Pd Pd364 1.0 0.39063 0.71350 0.68540 1.0000 + Pd Pd365 1.0 0.39063 0.77600 0.68540 1.0000 + Pd Pd366 1.0 0.39063 0.83850 0.68540 1.0000 + Pd Pd367 1.0 0.39063 0.90100 0.68540 1.0000 + Pd Pd368 1.0 0.39063 0.96350 0.68540 1.0000 + Pd Pd369 1.0 0.45313 0.02600 0.68540 1.0000 + Pd Pd370 1.0 0.45313 0.08850 0.68540 1.0000 + Pd Pd371 1.0 0.45313 0.15100 0.68540 1.0000 + Pd Pd372 1.0 0.45313 0.21350 0.68540 1.0000 + Pd Pd373 1.0 0.45313 0.27600 0.68540 1.0000 + Pd Pd374 1.0 0.45313 0.33850 0.68540 1.0000 + Pd Pd375 1.0 0.45313 0.40100 0.68540 1.0000 + Pd Pd376 1.0 0.45313 0.46350 0.68540 1.0000 + Pd Pd377 1.0 0.45313 0.52600 0.68540 1.0000 + Pd Pd378 1.0 0.45313 0.58850 0.68540 1.0000 + Pd Pd379 1.0 0.45313 0.65100 0.68540 1.0000 + Pd Pd380 1.0 0.45313 0.71350 0.68540 1.0000 + Pd Pd381 1.0 0.45313 0.77600 0.68540 1.0000 + Pd Pd382 1.0 0.45313 0.83850 0.68540 1.0000 + Pd Pd383 1.0 0.45313 0.90100 0.68540 1.0000 + Pd Pd384 1.0 0.45313 0.96350 0.68540 1.0000 + Pd Pd385 1.0 0.51563 0.02600 0.68540 1.0000 + Pd Pd386 1.0 0.51563 0.08850 0.68540 1.0000 + Pd Pd387 1.0 0.51563 0.15100 0.68540 1.0000 + Pd Pd388 1.0 0.51563 0.21350 0.68540 1.0000 + Pd Pd389 1.0 0.51563 0.27600 0.68540 1.0000 + Pd Pd390 1.0 0.51563 0.33850 0.68540 1.0000 + Pd Pd391 1.0 0.51563 0.40100 0.68540 1.0000 + Pd Pd392 1.0 0.51563 0.46350 0.68540 1.0000 + Pd Pd393 1.0 0.51563 0.52600 0.68540 1.0000 + Pd Pd394 1.0 0.51563 0.58850 0.68540 1.0000 + Pd Pd395 1.0 0.51563 0.65100 0.68540 1.0000 + Pd Pd396 1.0 0.51563 0.71350 0.68540 1.0000 + Pd Pd397 1.0 0.51563 0.77600 0.68540 1.0000 + Pd Pd398 1.0 0.51563 0.83850 0.68540 1.0000 + Pd Pd399 1.0 0.51563 0.90100 0.68540 1.0000 + Pd Pd400 1.0 0.51563 0.96350 0.68540 1.0000 + Pd Pd401 1.0 0.57813 0.02600 0.68540 1.0000 + Pd Pd402 1.0 0.57813 0.08850 0.68540 1.0000 + Pd Pd403 1.0 0.57813 0.15100 0.68540 1.0000 + Pd Pd404 1.0 0.57813 0.21350 0.68540 1.0000 + Pd Pd405 1.0 0.57813 0.27600 0.68540 1.0000 + Pd Pd406 1.0 0.57813 0.33850 0.68540 1.0000 + Pd Pd407 1.0 0.57813 0.40100 0.68540 1.0000 + Pd Pd408 1.0 0.57813 0.46350 0.68540 1.0000 + Pd Pd409 1.0 0.57813 0.52600 0.68540 1.0000 + Pd Pd410 1.0 0.57813 0.58850 0.68540 1.0000 + Pd Pd411 1.0 0.57813 0.65100 0.68540 1.0000 + Pd Pd412 1.0 0.57813 0.71350 0.68540 1.0000 + Pd Pd413 1.0 0.57813 0.77600 0.68540 1.0000 + Pd Pd414 1.0 0.57813 0.83850 0.68540 1.0000 + Pd Pd415 1.0 0.57813 0.90100 0.68540 1.0000 + Pd Pd416 1.0 0.57813 0.96350 0.68540 1.0000 + Pd Pd417 1.0 0.64063 0.02600 0.68540 1.0000 + Pd Pd418 1.0 0.64063 0.08850 0.68540 1.0000 + Pd Pd419 1.0 0.64063 0.15100 0.68540 1.0000 + Pd Pd420 1.0 0.64063 0.21350 0.68540 1.0000 + Pd Pd421 1.0 0.64063 0.27600 0.68540 1.0000 + Pd Pd422 1.0 0.64063 0.33850 0.68540 1.0000 + Pd Pd423 1.0 0.64063 0.40100 0.68540 1.0000 + Pd Pd424 1.0 0.64063 0.46350 0.68540 1.0000 + Pd Pd425 1.0 0.64063 0.52600 0.68540 1.0000 + Pd Pd426 1.0 0.64063 0.58850 0.68540 1.0000 + Pd Pd427 1.0 0.64063 0.65100 0.68540 1.0000 + Pd Pd428 1.0 0.64063 0.71350 0.68540 1.0000 + Pd Pd429 1.0 0.64063 0.77600 0.68540 1.0000 + Pd Pd430 1.0 0.64063 0.83850 0.68540 1.0000 + Pd Pd431 1.0 0.64063 0.90100 0.68540 1.0000 + Pd Pd432 1.0 0.64063 0.96350 0.68540 1.0000 + Pd Pd433 1.0 0.70313 0.02600 0.68540 1.0000 + Pd Pd434 1.0 0.70313 0.08850 0.68540 1.0000 + Pd Pd435 1.0 0.70313 0.15100 0.68540 1.0000 + Pd Pd436 1.0 0.70313 0.21350 0.68540 1.0000 + Pd Pd437 1.0 0.70313 0.27600 0.68540 1.0000 + Pd Pd438 1.0 0.70313 0.33850 0.68540 1.0000 + Pd Pd439 1.0 0.70313 0.40100 0.68540 1.0000 + Pd Pd440 1.0 0.70313 0.46350 0.68540 1.0000 + Pd Pd441 1.0 0.70313 0.52600 0.68540 1.0000 + Pd Pd442 1.0 0.70313 0.58850 0.68540 1.0000 + Pd Pd443 1.0 0.70313 0.65100 0.68540 1.0000 + Pd Pd444 1.0 0.70313 0.71350 0.68540 1.0000 + Pd Pd445 1.0 0.70313 0.77600 0.68540 1.0000 + Pd Pd446 1.0 0.70313 0.83850 0.68540 1.0000 + Pd Pd447 1.0 0.70313 0.90100 0.68540 1.0000 + Pd Pd448 1.0 0.70313 0.96350 0.68540 1.0000 + Pd Pd449 1.0 0.76563 0.02600 0.68540 1.0000 + Pd Pd450 1.0 0.76563 0.08850 0.68540 1.0000 + Pd Pd451 1.0 0.76563 0.15100 0.68540 1.0000 + Pd Pd452 1.0 0.76563 0.21350 0.68540 1.0000 + Pd Pd453 1.0 0.76563 0.27600 0.68540 1.0000 + Pd Pd454 1.0 0.76563 0.33850 0.68540 1.0000 + Pd Pd455 1.0 0.76563 0.40100 0.68540 1.0000 + Pd Pd456 1.0 0.76563 0.46350 0.68540 1.0000 + Pd Pd457 1.0 0.76563 0.52600 0.68540 1.0000 + Pd Pd458 1.0 0.76563 0.58850 0.68540 1.0000 + Pd Pd459 1.0 0.76563 0.65100 0.68540 1.0000 + Pd Pd460 1.0 0.76563 0.71350 0.68540 1.0000 + Pd Pd461 1.0 0.76563 0.77600 0.68540 1.0000 + Pd Pd462 1.0 0.76563 0.83850 0.68540 1.0000 + Pd Pd463 1.0 0.76563 0.90100 0.68540 1.0000 + Pd Pd464 1.0 0.76563 0.96350 0.68540 1.0000 + Pd Pd465 1.0 0.82813 0.02600 0.68540 1.0000 + Pd Pd466 1.0 0.82813 0.08850 0.68540 1.0000 + Pd Pd467 1.0 0.82813 0.15100 0.68540 1.0000 + Pd Pd468 1.0 0.82813 0.21350 0.68540 1.0000 + Pd Pd469 1.0 0.82813 0.27600 0.68540 1.0000 + Pd Pd470 1.0 0.82813 0.33850 0.68540 1.0000 + Pd Pd471 1.0 0.82813 0.40100 0.68540 1.0000 + Pd Pd472 1.0 0.82813 0.46350 0.68540 1.0000 + Pd Pd473 1.0 0.82813 0.52600 0.68540 1.0000 + Pd Pd474 1.0 0.82813 0.58850 0.68540 1.0000 + Pd Pd475 1.0 0.82813 0.65100 0.68540 1.0000 + Pd Pd476 1.0 0.82813 0.71350 0.68540 1.0000 + Pd Pd477 1.0 0.82813 0.77600 0.68540 1.0000 + Pd Pd478 1.0 0.82813 0.83850 0.68540 1.0000 + Pd Pd479 1.0 0.82813 0.90100 0.68540 1.0000 + Pd Pd480 1.0 0.82813 0.96350 0.68540 1.0000 + Pd Pd481 1.0 0.89063 0.02600 0.68540 1.0000 + Pd Pd482 1.0 0.89063 0.08850 0.68540 1.0000 + Pd Pd483 1.0 0.89063 0.15100 0.68540 1.0000 + Pd Pd484 1.0 0.89063 0.21350 0.68540 1.0000 + Pd Pd485 1.0 0.89063 0.27600 0.68540 1.0000 + Pd Pd486 1.0 0.89063 0.33850 0.68540 1.0000 + Pd Pd487 1.0 0.89063 0.40100 0.68540 1.0000 + Pd Pd488 1.0 0.89063 0.46350 0.68540 1.0000 + Pd Pd489 1.0 0.89063 0.52600 0.68540 1.0000 + Pd Pd490 1.0 0.89063 0.58850 0.68540 1.0000 + Pd Pd491 1.0 0.89063 0.65100 0.68540 1.0000 + Pd Pd492 1.0 0.89063 0.71350 0.68540 1.0000 + Pd Pd493 1.0 0.89063 0.77600 0.68540 1.0000 + Pd Pd494 1.0 0.89063 0.83850 0.68540 1.0000 + Pd Pd495 1.0 0.89063 0.90100 0.68540 1.0000 + Pd Pd496 1.0 0.89063 0.96350 0.68540 1.0000 + Pd Pd497 1.0 0.95313 0.02600 0.68540 1.0000 + Pd Pd498 1.0 0.95313 0.08850 0.68540 1.0000 + Pd Pd499 1.0 0.95313 0.15100 0.68540 1.0000 + Pd Pd500 1.0 0.95313 0.21350 0.68540 1.0000 + Pd Pd501 1.0 0.95313 0.27600 0.68540 1.0000 + Pd Pd502 1.0 0.95313 0.33850 0.68540 1.0000 + Pd Pd503 1.0 0.95313 0.40100 0.68540 1.0000 + Pd Pd504 1.0 0.95313 0.46350 0.68540 1.0000 + Pd Pd505 1.0 0.95313 0.52600 0.68540 1.0000 + Pd Pd506 1.0 0.95313 0.58850 0.68540 1.0000 + Pd Pd507 1.0 0.95313 0.65100 0.68540 1.0000 + Pd Pd508 1.0 0.95313 0.71350 0.68540 1.0000 + Pd Pd509 1.0 0.95313 0.77600 0.68540 1.0000 + Pd Pd510 1.0 0.95313 0.83850 0.68540 1.0000 + Pd Pd511 1.0 0.95313 0.90100 0.68540 1.0000 + Pd Pd512 1.0 0.95313 0.96350 0.68540 1.0000 + Pd Pd513 1.0 0.04688 0.05726 0.68599 1.0000 + Pd Pd514 1.0 0.04688 0.11976 0.68599 1.0000 + Pd Pd515 1.0 0.04688 0.18226 0.68599 1.0000 + Pd Pd516 1.0 0.04688 0.24476 0.68599 1.0000 + Pd Pd517 1.0 0.04688 0.30726 0.68599 1.0000 + Pd Pd518 1.0 0.04688 0.36976 0.68599 1.0000 + Pd Pd519 1.0 0.04688 0.43226 0.68599 1.0000 + Pd Pd520 1.0 0.04688 0.49476 0.68599 1.0000 + Pd Pd521 1.0 0.04688 0.55726 0.68599 1.0000 + Pd Pd522 1.0 0.04688 0.61976 0.68599 1.0000 + Pd Pd523 1.0 0.04688 0.68226 0.68599 1.0000 + Pd Pd524 1.0 0.04688 0.74476 0.68599 1.0000 + Pd Pd525 1.0 0.04688 0.80726 0.68599 1.0000 + Pd Pd526 1.0 0.04688 0.86976 0.68599 1.0000 + Pd Pd527 1.0 0.04688 0.93226 0.68599 1.0000 + Pd Pd528 1.0 0.04688 0.99476 0.68599 1.0000 + Pd Pd529 1.0 0.10938 0.05726 0.68599 1.0000 + Pd Pd530 1.0 0.10938 0.11976 0.68599 1.0000 + Pd Pd531 1.0 0.10938 0.18226 0.68599 1.0000 + Pd Pd532 1.0 0.10938 0.24476 0.68599 1.0000 + Pd Pd533 1.0 0.10938 0.30726 0.68599 1.0000 + Pd Pd534 1.0 0.10938 0.36976 0.68599 1.0000 + Pd Pd535 1.0 0.10938 0.43226 0.68599 1.0000 + Pd Pd536 1.0 0.10938 0.49476 0.68599 1.0000 + Pd Pd537 1.0 0.10938 0.55726 0.68599 1.0000 + Pd Pd538 1.0 0.10938 0.61976 0.68599 1.0000 + Pd Pd539 1.0 0.10938 0.68226 0.68599 1.0000 + Pd Pd540 1.0 0.10938 0.74476 0.68599 1.0000 + Pd Pd541 1.0 0.10938 0.80726 0.68599 1.0000 + Pd Pd542 1.0 0.10938 0.86976 0.68599 1.0000 + Pd Pd543 1.0 0.10938 0.93226 0.68599 1.0000 + Pd Pd544 1.0 0.10938 0.99476 0.68599 1.0000 + Pd Pd545 1.0 0.17188 0.05726 0.68599 1.0000 + Pd Pd546 1.0 0.17188 0.11976 0.68599 1.0000 + Pd Pd547 1.0 0.17188 0.18226 0.68599 1.0000 + Pd Pd548 1.0 0.17188 0.24476 0.68599 1.0000 + Pd Pd549 1.0 0.17188 0.30726 0.68599 1.0000 + Pd Pd550 1.0 0.17188 0.36976 0.68599 1.0000 + Pd Pd551 1.0 0.17188 0.43226 0.68599 1.0000 + Pd Pd552 1.0 0.17188 0.49476 0.68599 1.0000 + Pd Pd553 1.0 0.17188 0.55726 0.68599 1.0000 + Pd Pd554 1.0 0.17188 0.61976 0.68599 1.0000 + Pd Pd555 1.0 0.17188 0.68226 0.68599 1.0000 + Pd Pd556 1.0 0.17188 0.74476 0.68599 1.0000 + Pd Pd557 1.0 0.17188 0.80726 0.68599 1.0000 + Pd Pd558 1.0 0.17188 0.86976 0.68599 1.0000 + Pd Pd559 1.0 0.17188 0.93226 0.68599 1.0000 + Pd Pd560 1.0 0.17188 0.99476 0.68599 1.0000 + Pd Pd561 1.0 0.23438 0.05726 0.68599 1.0000 + Pd Pd562 1.0 0.23438 0.11976 0.68599 1.0000 + Pd Pd563 1.0 0.23438 0.18226 0.68599 1.0000 + Pd Pd564 1.0 0.23438 0.24476 0.68599 1.0000 + Pd Pd565 1.0 0.23438 0.30726 0.68599 1.0000 + Pd Pd566 1.0 0.23438 0.36976 0.68599 1.0000 + Pd Pd567 1.0 0.23438 0.43226 0.68599 1.0000 + Pd Pd568 1.0 0.23438 0.49476 0.68599 1.0000 + Pd Pd569 1.0 0.23438 0.55726 0.68599 1.0000 + Pd Pd570 1.0 0.23438 0.61976 0.68599 1.0000 + Pd Pd571 1.0 0.23438 0.68226 0.68599 1.0000 + Pd Pd572 1.0 0.23438 0.74476 0.68599 1.0000 + Pd Pd573 1.0 0.23438 0.80726 0.68599 1.0000 + Pd Pd574 1.0 0.23438 0.86976 0.68599 1.0000 + Pd Pd575 1.0 0.23438 0.93226 0.68599 1.0000 + Pd Pd576 1.0 0.23438 0.99476 0.68599 1.0000 + Pd Pd577 1.0 0.29688 0.05726 0.68599 1.0000 + Pd Pd578 1.0 0.29688 0.11976 0.68599 1.0000 + Pd Pd579 1.0 0.29688 0.18226 0.68599 1.0000 + Pd Pd580 1.0 0.29688 0.24476 0.68599 1.0000 + Pd Pd581 1.0 0.29688 0.30726 0.68599 1.0000 + Pd Pd582 1.0 0.29688 0.36976 0.68599 1.0000 + Pd Pd583 1.0 0.29688 0.43226 0.68599 1.0000 + Pd Pd584 1.0 0.29688 0.49476 0.68599 1.0000 + Pd Pd585 1.0 0.29688 0.55726 0.68599 1.0000 + Pd Pd586 1.0 0.29688 0.61976 0.68599 1.0000 + Pd Pd587 1.0 0.29688 0.68226 0.68599 1.0000 + Pd Pd588 1.0 0.29688 0.74476 0.68599 1.0000 + Pd Pd589 1.0 0.29688 0.80726 0.68599 1.0000 + Pd Pd590 1.0 0.29688 0.86976 0.68599 1.0000 + Pd Pd591 1.0 0.29688 0.93226 0.68599 1.0000 + Pd Pd592 1.0 0.29688 0.99476 0.68599 1.0000 + Pd Pd593 1.0 0.35938 0.05726 0.68599 1.0000 + Pd Pd594 1.0 0.35938 0.11976 0.68599 1.0000 + Pd Pd595 1.0 0.35938 0.18226 0.68599 1.0000 + Pd Pd596 1.0 0.35938 0.24476 0.68599 1.0000 + Pd Pd597 1.0 0.35938 0.30726 0.68599 1.0000 + Pd Pd598 1.0 0.35938 0.36976 0.68599 1.0000 + Pd Pd599 1.0 0.35938 0.43226 0.68599 1.0000 + Pd Pd600 1.0 0.35938 0.49476 0.68599 1.0000 + Pd Pd601 1.0 0.35938 0.55726 0.68599 1.0000 + Pd Pd602 1.0 0.35938 0.61976 0.68599 1.0000 + Pd Pd603 1.0 0.35938 0.68226 0.68599 1.0000 + Pd Pd604 1.0 0.35938 0.74476 0.68599 1.0000 + Pd Pd605 1.0 0.35938 0.80726 0.68599 1.0000 + Pd Pd606 1.0 0.35938 0.86976 0.68599 1.0000 + Pd Pd607 1.0 0.35938 0.93226 0.68599 1.0000 + Pd Pd608 1.0 0.35938 0.99476 0.68599 1.0000 + Pd Pd609 1.0 0.42188 0.05726 0.68599 1.0000 + Pd Pd610 1.0 0.42188 0.11976 0.68599 1.0000 + Pd Pd611 1.0 0.42188 0.18226 0.68599 1.0000 + Pd Pd612 1.0 0.42188 0.24476 0.68599 1.0000 + Pd Pd613 1.0 0.42188 0.30726 0.68599 1.0000 + Pd Pd614 1.0 0.42188 0.36976 0.68599 1.0000 + Pd Pd615 1.0 0.42188 0.43226 0.68599 1.0000 + Pd Pd616 1.0 0.42188 0.49476 0.68599 1.0000 + Pd Pd617 1.0 0.42188 0.55726 0.68599 1.0000 + Pd Pd618 1.0 0.42188 0.61976 0.68599 1.0000 + Pd Pd619 1.0 0.42188 0.68226 0.68599 1.0000 + Pd Pd620 1.0 0.42188 0.74476 0.68599 1.0000 + Pd Pd621 1.0 0.42188 0.80726 0.68599 1.0000 + Pd Pd622 1.0 0.42188 0.86976 0.68599 1.0000 + Pd Pd623 1.0 0.42188 0.93226 0.68599 1.0000 + Pd Pd624 1.0 0.42188 0.99476 0.68599 1.0000 + Pd Pd625 1.0 0.48438 0.05726 0.68599 1.0000 + Pd Pd626 1.0 0.48438 0.11976 0.68599 1.0000 + Pd Pd627 1.0 0.48438 0.18226 0.68599 1.0000 + Pd Pd628 1.0 0.48438 0.24476 0.68599 1.0000 + Pd Pd629 1.0 0.48438 0.30726 0.68599 1.0000 + Pd Pd630 1.0 0.48438 0.36976 0.68599 1.0000 + Pd Pd631 1.0 0.48438 0.43226 0.68599 1.0000 + Pd Pd632 1.0 0.48438 0.49476 0.68599 1.0000 + Pd Pd633 1.0 0.48438 0.55726 0.68599 1.0000 + Pd Pd634 1.0 0.48438 0.61976 0.68599 1.0000 + Pd Pd635 1.0 0.48438 0.68226 0.68599 1.0000 + Pd Pd636 1.0 0.48438 0.74476 0.68599 1.0000 + Pd Pd637 1.0 0.48438 0.80726 0.68599 1.0000 + Pd Pd638 1.0 0.48438 0.86976 0.68599 1.0000 + Pd Pd639 1.0 0.48438 0.93226 0.68599 1.0000 + Pd Pd640 1.0 0.48438 0.99476 0.68599 1.0000 + Pd Pd641 1.0 0.54688 0.05726 0.68599 1.0000 + Pd Pd642 1.0 0.54688 0.11976 0.68599 1.0000 + Pd Pd643 1.0 0.54688 0.18226 0.68599 1.0000 + Pd Pd644 1.0 0.54688 0.24476 0.68599 1.0000 + Pd Pd645 1.0 0.54688 0.30726 0.68599 1.0000 + Pd Pd646 1.0 0.54688 0.36976 0.68599 1.0000 + Pd Pd647 1.0 0.54688 0.43226 0.68599 1.0000 + Pd Pd648 1.0 0.54688 0.49476 0.68599 1.0000 + Pd Pd649 1.0 0.54688 0.55726 0.68599 1.0000 + Pd Pd650 1.0 0.54688 0.61976 0.68599 1.0000 + Pd Pd651 1.0 0.54688 0.68226 0.68599 1.0000 + Pd Pd652 1.0 0.54688 0.74476 0.68599 1.0000 + Pd Pd653 1.0 0.54688 0.80726 0.68599 1.0000 + Pd Pd654 1.0 0.54688 0.86976 0.68599 1.0000 + Pd Pd655 1.0 0.54688 0.93226 0.68599 1.0000 + Pd Pd656 1.0 0.54688 0.99476 0.68599 1.0000 + Pd Pd657 1.0 0.60938 0.05726 0.68599 1.0000 + Pd Pd658 1.0 0.60938 0.11976 0.68599 1.0000 + Pd Pd659 1.0 0.60938 0.18226 0.68599 1.0000 + Pd Pd660 1.0 0.60938 0.24476 0.68599 1.0000 + Pd Pd661 1.0 0.60938 0.30726 0.68599 1.0000 + Pd Pd662 1.0 0.60938 0.36976 0.68599 1.0000 + Pd Pd663 1.0 0.60938 0.43226 0.68599 1.0000 + Pd Pd664 1.0 0.60938 0.49476 0.68599 1.0000 + Pd Pd665 1.0 0.60938 0.55726 0.68599 1.0000 + Pd Pd666 1.0 0.60938 0.61976 0.68599 1.0000 + Pd Pd667 1.0 0.60938 0.68226 0.68599 1.0000 + Pd Pd668 1.0 0.60938 0.74476 0.68599 1.0000 + Pd Pd669 1.0 0.60938 0.80726 0.68599 1.0000 + Pd Pd670 1.0 0.60938 0.86976 0.68599 1.0000 + Pd Pd671 1.0 0.60938 0.93226 0.68599 1.0000 + Pd Pd672 1.0 0.60938 0.99476 0.68599 1.0000 + Pd Pd673 1.0 0.67188 0.05726 0.68599 1.0000 + Pd Pd674 1.0 0.67188 0.11976 0.68599 1.0000 + Pd Pd675 1.0 0.67188 0.18226 0.68599 1.0000 + Pd Pd676 1.0 0.67188 0.24476 0.68599 1.0000 + Pd Pd677 1.0 0.67188 0.30726 0.68599 1.0000 + Pd Pd678 1.0 0.67188 0.36976 0.68599 1.0000 + Pd Pd679 1.0 0.67188 0.43226 0.68599 1.0000 + Pd Pd680 1.0 0.67188 0.49476 0.68599 1.0000 + Pd Pd681 1.0 0.67188 0.55726 0.68599 1.0000 + Pd Pd682 1.0 0.67188 0.61976 0.68599 1.0000 + Pd Pd683 1.0 0.67188 0.68226 0.68599 1.0000 + Pd Pd684 1.0 0.67188 0.74476 0.68599 1.0000 + Pd Pd685 1.0 0.67188 0.80726 0.68599 1.0000 + Pd Pd686 1.0 0.67188 0.86976 0.68599 1.0000 + Pd Pd687 1.0 0.67188 0.93226 0.68599 1.0000 + Pd Pd688 1.0 0.67188 0.99476 0.68599 1.0000 + Pd Pd689 1.0 0.73438 0.05726 0.68599 1.0000 + Pd Pd690 1.0 0.73438 0.11976 0.68599 1.0000 + Pd Pd691 1.0 0.73438 0.18226 0.68599 1.0000 + Pd Pd692 1.0 0.73438 0.24476 0.68599 1.0000 + Pd Pd693 1.0 0.73438 0.30726 0.68599 1.0000 + Pd Pd694 1.0 0.73438 0.36976 0.68599 1.0000 + Pd Pd695 1.0 0.73438 0.43226 0.68599 1.0000 + Pd Pd696 1.0 0.73438 0.49476 0.68599 1.0000 + Pd Pd697 1.0 0.73438 0.55726 0.68599 1.0000 + Pd Pd698 1.0 0.73438 0.61976 0.68599 1.0000 + Pd Pd699 1.0 0.73438 0.68226 0.68599 1.0000 + Pd Pd700 1.0 0.73438 0.74476 0.68599 1.0000 + Pd Pd701 1.0 0.73438 0.80726 0.68599 1.0000 + Pd Pd702 1.0 0.73438 0.86976 0.68599 1.0000 + Pd Pd703 1.0 0.73438 0.93226 0.68599 1.0000 + Pd Pd704 1.0 0.73438 0.99476 0.68599 1.0000 + Pd Pd705 1.0 0.79688 0.05726 0.68599 1.0000 + Pd Pd706 1.0 0.79688 0.11976 0.68599 1.0000 + Pd Pd707 1.0 0.79688 0.18226 0.68599 1.0000 + Pd Pd708 1.0 0.79688 0.24476 0.68599 1.0000 + Pd Pd709 1.0 0.79688 0.30726 0.68599 1.0000 + Pd Pd710 1.0 0.79688 0.36976 0.68599 1.0000 + Pd Pd711 1.0 0.79688 0.43226 0.68599 1.0000 + Pd Pd712 1.0 0.79688 0.49476 0.68599 1.0000 + Pd Pd713 1.0 0.79688 0.55726 0.68599 1.0000 + Pd Pd714 1.0 0.79688 0.61976 0.68599 1.0000 + Pd Pd715 1.0 0.79688 0.68226 0.68599 1.0000 + Pd Pd716 1.0 0.79688 0.74476 0.68599 1.0000 + Pd Pd717 1.0 0.79688 0.80726 0.68599 1.0000 + Pd Pd718 1.0 0.79688 0.86976 0.68599 1.0000 + Pd Pd719 1.0 0.79688 0.93226 0.68599 1.0000 + Pd Pd720 1.0 0.79688 0.99476 0.68599 1.0000 + Pd Pd721 1.0 0.85938 0.05726 0.68599 1.0000 + Pd Pd722 1.0 0.85938 0.11976 0.68599 1.0000 + Pd Pd723 1.0 0.85938 0.18226 0.68599 1.0000 + Pd Pd724 1.0 0.85938 0.24476 0.68599 1.0000 + Pd Pd725 1.0 0.85938 0.30726 0.68599 1.0000 + Pd Pd726 1.0 0.85938 0.36976 0.68599 1.0000 + Pd Pd727 1.0 0.85938 0.43226 0.68599 1.0000 + Pd Pd728 1.0 0.85938 0.49476 0.68599 1.0000 + Pd Pd729 1.0 0.85938 0.55726 0.68599 1.0000 + Pd Pd730 1.0 0.85938 0.61976 0.68599 1.0000 + Pd Pd731 1.0 0.85938 0.68226 0.68599 1.0000 + Pd Pd732 1.0 0.85938 0.74476 0.68599 1.0000 + Pd Pd733 1.0 0.85938 0.80726 0.68599 1.0000 + Pd Pd734 1.0 0.85938 0.86976 0.68599 1.0000 + Pd Pd735 1.0 0.85938 0.93226 0.68599 1.0000 + Pd Pd736 1.0 0.85938 0.99476 0.68599 1.0000 + Pd Pd737 1.0 0.92188 0.05726 0.68599 1.0000 + Pd Pd738 1.0 0.92188 0.11976 0.68599 1.0000 + Pd Pd739 1.0 0.92188 0.18226 0.68599 1.0000 + Pd Pd740 1.0 0.92188 0.24476 0.68599 1.0000 + Pd Pd741 1.0 0.92188 0.30726 0.68599 1.0000 + Pd Pd742 1.0 0.92188 0.36976 0.68599 1.0000 + Pd Pd743 1.0 0.92188 0.43226 0.68599 1.0000 + Pd Pd744 1.0 0.92188 0.49476 0.68599 1.0000 + Pd Pd745 1.0 0.92188 0.55726 0.68599 1.0000 + Pd Pd746 1.0 0.92188 0.61976 0.68599 1.0000 + Pd Pd747 1.0 0.92188 0.68226 0.68599 1.0000 + Pd Pd748 1.0 0.92188 0.74476 0.68599 1.0000 + Pd Pd749 1.0 0.92188 0.80726 0.68599 1.0000 + Pd Pd750 1.0 0.92188 0.86976 0.68599 1.0000 + Pd Pd751 1.0 0.92188 0.93226 0.68599 1.0000 + Pd Pd752 1.0 0.92188 0.99476 0.68599 1.0000 + Pd Pd753 1.0 0.98438 0.05726 0.68599 1.0000 + Pd Pd754 1.0 0.98438 0.11976 0.68599 1.0000 + Pd Pd755 1.0 0.98438 0.18226 0.68599 1.0000 + Pd Pd756 1.0 0.98438 0.24476 0.68599 1.0000 + Pd Pd757 1.0 0.98438 0.30726 0.68599 1.0000 + Pd Pd758 1.0 0.98438 0.36976 0.68599 1.0000 + Pd Pd759 1.0 0.98438 0.43226 0.68599 1.0000 + Pd Pd760 1.0 0.98438 0.49476 0.68599 1.0000 + Pd Pd761 1.0 0.98438 0.55726 0.68599 1.0000 + Pd Pd762 1.0 0.98438 0.61976 0.68599 1.0000 + Pd Pd763 1.0 0.98438 0.68226 0.68599 1.0000 + Pd Pd764 1.0 0.98438 0.74476 0.68599 1.0000 + Pd Pd765 1.0 0.98438 0.80726 0.68599 1.0000 + Pd Pd766 1.0 0.98438 0.86976 0.68599 1.0000 + Pd Pd767 1.0 0.98438 0.93226 0.68599 1.0000 + Pd Pd768 1.0 0.98438 0.99476 0.68599 1.0000 + Pd Pd769 1.0 0.01562 0.00524 0.31401 1.0000 + Pd Pd770 1.0 0.01562 0.06774 0.31401 1.0000 + Pd Pd771 1.0 0.01562 0.13024 0.31401 1.0000 + Pd Pd772 1.0 0.01562 0.19274 0.31401 1.0000 + Pd Pd773 1.0 0.01562 0.25524 0.31401 1.0000 + Pd Pd774 1.0 0.01562 0.31774 0.31401 1.0000 + Pd Pd775 1.0 0.01562 0.38024 0.31401 1.0000 + Pd Pd776 1.0 0.01562 0.44274 0.31401 1.0000 + Pd Pd777 1.0 0.01562 0.50524 0.31401 1.0000 + Pd Pd778 1.0 0.01562 0.56774 0.31401 1.0000 + Pd Pd779 1.0 0.01562 0.63024 0.31401 1.0000 + Pd Pd780 1.0 0.01562 0.69274 0.31401 1.0000 + Pd Pd781 1.0 0.01562 0.75524 0.31401 1.0000 + Pd Pd782 1.0 0.01562 0.81774 0.31401 1.0000 + Pd Pd783 1.0 0.01562 0.88024 0.31401 1.0000 + Pd Pd784 1.0 0.01562 0.94274 0.31401 1.0000 + Pd Pd785 1.0 0.07812 0.00524 0.31401 1.0000 + Pd Pd786 1.0 0.07812 0.06774 0.31401 1.0000 + Pd Pd787 1.0 0.07812 0.13024 0.31401 1.0000 + Pd Pd788 1.0 0.07812 0.19274 0.31401 1.0000 + Pd Pd789 1.0 0.07812 0.25524 0.31401 1.0000 + Pd Pd790 1.0 0.07812 0.31774 0.31401 1.0000 + Pd Pd791 1.0 0.07812 0.38024 0.31401 1.0000 + Pd Pd792 1.0 0.07812 0.44274 0.31401 1.0000 + Pd Pd793 1.0 0.07812 0.50524 0.31401 1.0000 + Pd Pd794 1.0 0.07812 0.56774 0.31401 1.0000 + Pd Pd795 1.0 0.07812 0.63024 0.31401 1.0000 + Pd Pd796 1.0 0.07812 0.69274 0.31401 1.0000 + Pd Pd797 1.0 0.07812 0.75524 0.31401 1.0000 + Pd Pd798 1.0 0.07812 0.81774 0.31401 1.0000 + Pd Pd799 1.0 0.07812 0.88024 0.31401 1.0000 + Pd Pd800 1.0 0.07812 0.94274 0.31401 1.0000 + Pd Pd801 1.0 0.14062 0.00524 0.31401 1.0000 + Pd Pd802 1.0 0.14062 0.06774 0.31401 1.0000 + Pd Pd803 1.0 0.14062 0.13024 0.31401 1.0000 + Pd Pd804 1.0 0.14062 0.19274 0.31401 1.0000 + Pd Pd805 1.0 0.14062 0.25524 0.31401 1.0000 + Pd Pd806 1.0 0.14062 0.31774 0.31401 1.0000 + Pd Pd807 1.0 0.14062 0.38024 0.31401 1.0000 + Pd Pd808 1.0 0.14062 0.44274 0.31401 1.0000 + Pd Pd809 1.0 0.14062 0.50524 0.31401 1.0000 + Pd Pd810 1.0 0.14062 0.56774 0.31401 1.0000 + Pd Pd811 1.0 0.14062 0.63024 0.31401 1.0000 + Pd Pd812 1.0 0.14062 0.69274 0.31401 1.0000 + Pd Pd813 1.0 0.14062 0.75524 0.31401 1.0000 + Pd Pd814 1.0 0.14062 0.81774 0.31401 1.0000 + Pd Pd815 1.0 0.14062 0.88024 0.31401 1.0000 + Pd Pd816 1.0 0.14062 0.94274 0.31401 1.0000 + Pd Pd817 1.0 0.20312 0.00524 0.31401 1.0000 + Pd Pd818 1.0 0.20312 0.06774 0.31401 1.0000 + Pd Pd819 1.0 0.20312 0.13024 0.31401 1.0000 + Pd Pd820 1.0 0.20312 0.19274 0.31401 1.0000 + Pd Pd821 1.0 0.20312 0.25524 0.31401 1.0000 + Pd Pd822 1.0 0.20312 0.31774 0.31401 1.0000 + Pd Pd823 1.0 0.20312 0.38024 0.31401 1.0000 + Pd Pd824 1.0 0.20312 0.44274 0.31401 1.0000 + Pd Pd825 1.0 0.20312 0.50524 0.31401 1.0000 + Pd Pd826 1.0 0.20312 0.56774 0.31401 1.0000 + Pd Pd827 1.0 0.20312 0.63024 0.31401 1.0000 + Pd Pd828 1.0 0.20312 0.69274 0.31401 1.0000 + Pd Pd829 1.0 0.20312 0.75524 0.31401 1.0000 + Pd Pd830 1.0 0.20312 0.81774 0.31401 1.0000 + Pd Pd831 1.0 0.20312 0.88024 0.31401 1.0000 + Pd Pd832 1.0 0.20312 0.94274 0.31401 1.0000 + Pd Pd833 1.0 0.26562 0.00524 0.31401 1.0000 + Pd Pd834 1.0 0.26562 0.06774 0.31401 1.0000 + Pd Pd835 1.0 0.26562 0.13024 0.31401 1.0000 + Pd Pd836 1.0 0.26562 0.19274 0.31401 1.0000 + Pd Pd837 1.0 0.26562 0.25524 0.31401 1.0000 + Pd Pd838 1.0 0.26562 0.31774 0.31401 1.0000 + Pd Pd839 1.0 0.26562 0.38024 0.31401 1.0000 + Pd Pd840 1.0 0.26562 0.44274 0.31401 1.0000 + Pd Pd841 1.0 0.26562 0.50524 0.31401 1.0000 + Pd Pd842 1.0 0.26562 0.56774 0.31401 1.0000 + Pd Pd843 1.0 0.26562 0.63024 0.31401 1.0000 + Pd Pd844 1.0 0.26562 0.69274 0.31401 1.0000 + Pd Pd845 1.0 0.26562 0.75524 0.31401 1.0000 + Pd Pd846 1.0 0.26562 0.81774 0.31401 1.0000 + Pd Pd847 1.0 0.26562 0.88024 0.31401 1.0000 + Pd Pd848 1.0 0.26562 0.94274 0.31401 1.0000 + Pd Pd849 1.0 0.32812 0.00524 0.31401 1.0000 + Pd Pd850 1.0 0.32812 0.06774 0.31401 1.0000 + Pd Pd851 1.0 0.32812 0.13024 0.31401 1.0000 + Pd Pd852 1.0 0.32812 0.19274 0.31401 1.0000 + Pd Pd853 1.0 0.32812 0.25524 0.31401 1.0000 + Pd Pd854 1.0 0.32812 0.31774 0.31401 1.0000 + Pd Pd855 1.0 0.32812 0.38024 0.31401 1.0000 + Pd Pd856 1.0 0.32812 0.44274 0.31401 1.0000 + Pd Pd857 1.0 0.32812 0.50524 0.31401 1.0000 + Pd Pd858 1.0 0.32812 0.56774 0.31401 1.0000 + Pd Pd859 1.0 0.32812 0.63024 0.31401 1.0000 + Pd Pd860 1.0 0.32812 0.69274 0.31401 1.0000 + Pd Pd861 1.0 0.32812 0.75524 0.31401 1.0000 + Pd Pd862 1.0 0.32812 0.81774 0.31401 1.0000 + Pd Pd863 1.0 0.32812 0.88024 0.31401 1.0000 + Pd Pd864 1.0 0.32812 0.94274 0.31401 1.0000 + Pd Pd865 1.0 0.39062 0.00524 0.31401 1.0000 + Pd Pd866 1.0 0.39062 0.06774 0.31401 1.0000 + Pd Pd867 1.0 0.39062 0.13024 0.31401 1.0000 + Pd Pd868 1.0 0.39062 0.19274 0.31401 1.0000 + Pd Pd869 1.0 0.39062 0.25524 0.31401 1.0000 + Pd Pd870 1.0 0.39062 0.31774 0.31401 1.0000 + Pd Pd871 1.0 0.39062 0.38024 0.31401 1.0000 + Pd Pd872 1.0 0.39062 0.44274 0.31401 1.0000 + Pd Pd873 1.0 0.39062 0.50524 0.31401 1.0000 + Pd Pd874 1.0 0.39062 0.56774 0.31401 1.0000 + Pd Pd875 1.0 0.39062 0.63024 0.31401 1.0000 + Pd Pd876 1.0 0.39062 0.69274 0.31401 1.0000 + Pd Pd877 1.0 0.39062 0.75524 0.31401 1.0000 + Pd Pd878 1.0 0.39062 0.81774 0.31401 1.0000 + Pd Pd879 1.0 0.39062 0.88024 0.31401 1.0000 + Pd Pd880 1.0 0.39062 0.94274 0.31401 1.0000 + Pd Pd881 1.0 0.45312 0.00524 0.31401 1.0000 + Pd Pd882 1.0 0.45312 0.06774 0.31401 1.0000 + Pd Pd883 1.0 0.45312 0.13024 0.31401 1.0000 + Pd Pd884 1.0 0.45312 0.19274 0.31401 1.0000 + Pd Pd885 1.0 0.45312 0.25524 0.31401 1.0000 + Pd Pd886 1.0 0.45312 0.31774 0.31401 1.0000 + Pd Pd887 1.0 0.45312 0.38024 0.31401 1.0000 + Pd Pd888 1.0 0.45312 0.44274 0.31401 1.0000 + Pd Pd889 1.0 0.45312 0.50524 0.31401 1.0000 + Pd Pd890 1.0 0.45312 0.56774 0.31401 1.0000 + Pd Pd891 1.0 0.45312 0.63024 0.31401 1.0000 + Pd Pd892 1.0 0.45312 0.69274 0.31401 1.0000 + Pd Pd893 1.0 0.45312 0.75524 0.31401 1.0000 + Pd Pd894 1.0 0.45312 0.81774 0.31401 1.0000 + Pd Pd895 1.0 0.45312 0.88024 0.31401 1.0000 + Pd Pd896 1.0 0.45312 0.94274 0.31401 1.0000 + Pd Pd897 1.0 0.51562 0.00524 0.31401 1.0000 + Pd Pd898 1.0 0.51562 0.06774 0.31401 1.0000 + Pd Pd899 1.0 0.51562 0.13024 0.31401 1.0000 + Pd Pd900 1.0 0.51562 0.19274 0.31401 1.0000 + Pd Pd901 1.0 0.51562 0.25524 0.31401 1.0000 + Pd Pd902 1.0 0.51562 0.31774 0.31401 1.0000 + Pd Pd903 1.0 0.51562 0.38024 0.31401 1.0000 + Pd Pd904 1.0 0.51562 0.44274 0.31401 1.0000 + Pd Pd905 1.0 0.51562 0.50524 0.31401 1.0000 + Pd Pd906 1.0 0.51562 0.56774 0.31401 1.0000 + Pd Pd907 1.0 0.51562 0.63024 0.31401 1.0000 + Pd Pd908 1.0 0.51562 0.69274 0.31401 1.0000 + Pd Pd909 1.0 0.51562 0.75524 0.31401 1.0000 + Pd Pd910 1.0 0.51562 0.81774 0.31401 1.0000 + Pd Pd911 1.0 0.51562 0.88024 0.31401 1.0000 + Pd Pd912 1.0 0.51562 0.94274 0.31401 1.0000 + Pd Pd913 1.0 0.57812 0.00524 0.31401 1.0000 + Pd Pd914 1.0 0.57812 0.06774 0.31401 1.0000 + Pd Pd915 1.0 0.57812 0.13024 0.31401 1.0000 + Pd Pd916 1.0 0.57812 0.19274 0.31401 1.0000 + Pd Pd917 1.0 0.57812 0.25524 0.31401 1.0000 + Pd Pd918 1.0 0.57812 0.31774 0.31401 1.0000 + Pd Pd919 1.0 0.57812 0.38024 0.31401 1.0000 + Pd Pd920 1.0 0.57812 0.44274 0.31401 1.0000 + Pd Pd921 1.0 0.57812 0.50524 0.31401 1.0000 + Pd Pd922 1.0 0.57812 0.56774 0.31401 1.0000 + Pd Pd923 1.0 0.57812 0.63024 0.31401 1.0000 + Pd Pd924 1.0 0.57812 0.69274 0.31401 1.0000 + Pd Pd925 1.0 0.57812 0.75524 0.31401 1.0000 + Pd Pd926 1.0 0.57812 0.81774 0.31401 1.0000 + Pd Pd927 1.0 0.57812 0.88024 0.31401 1.0000 + Pd Pd928 1.0 0.57812 0.94274 0.31401 1.0000 + Pd Pd929 1.0 0.64062 0.00524 0.31401 1.0000 + Pd Pd930 1.0 0.64062 0.06774 0.31401 1.0000 + Pd Pd931 1.0 0.64062 0.13024 0.31401 1.0000 + Pd Pd932 1.0 0.64062 0.19274 0.31401 1.0000 + Pd Pd933 1.0 0.64062 0.25524 0.31401 1.0000 + Pd Pd934 1.0 0.64062 0.31774 0.31401 1.0000 + Pd Pd935 1.0 0.64062 0.38024 0.31401 1.0000 + Pd Pd936 1.0 0.64062 0.44274 0.31401 1.0000 + Pd Pd937 1.0 0.64062 0.50524 0.31401 1.0000 + Pd Pd938 1.0 0.64062 0.56774 0.31401 1.0000 + Pd Pd939 1.0 0.64062 0.63024 0.31401 1.0000 + Pd Pd940 1.0 0.64062 0.69274 0.31401 1.0000 + Pd Pd941 1.0 0.64062 0.75524 0.31401 1.0000 + Pd Pd942 1.0 0.64062 0.81774 0.31401 1.0000 + Pd Pd943 1.0 0.64062 0.88024 0.31401 1.0000 + Pd Pd944 1.0 0.64062 0.94274 0.31401 1.0000 + Pd Pd945 1.0 0.70312 0.00524 0.31401 1.0000 + Pd Pd946 1.0 0.70312 0.06774 0.31401 1.0000 + Pd Pd947 1.0 0.70312 0.13024 0.31401 1.0000 + Pd Pd948 1.0 0.70312 0.19274 0.31401 1.0000 + Pd Pd949 1.0 0.70312 0.25524 0.31401 1.0000 + Pd Pd950 1.0 0.70312 0.31774 0.31401 1.0000 + Pd Pd951 1.0 0.70312 0.38024 0.31401 1.0000 + Pd Pd952 1.0 0.70312 0.44274 0.31401 1.0000 + Pd Pd953 1.0 0.70312 0.50524 0.31401 1.0000 + Pd Pd954 1.0 0.70312 0.56774 0.31401 1.0000 + Pd Pd955 1.0 0.70312 0.63024 0.31401 1.0000 + Pd Pd956 1.0 0.70312 0.69274 0.31401 1.0000 + Pd Pd957 1.0 0.70312 0.75524 0.31401 1.0000 + Pd Pd958 1.0 0.70312 0.81774 0.31401 1.0000 + Pd Pd959 1.0 0.70312 0.88024 0.31401 1.0000 + Pd Pd960 1.0 0.70312 0.94274 0.31401 1.0000 + Pd Pd961 1.0 0.76562 0.00524 0.31401 1.0000 + Pd Pd962 1.0 0.76562 0.06774 0.31401 1.0000 + Pd Pd963 1.0 0.76562 0.13024 0.31401 1.0000 + Pd Pd964 1.0 0.76562 0.19274 0.31401 1.0000 + Pd Pd965 1.0 0.76562 0.25524 0.31401 1.0000 + Pd Pd966 1.0 0.76562 0.31774 0.31401 1.0000 + Pd Pd967 1.0 0.76562 0.38024 0.31401 1.0000 + Pd Pd968 1.0 0.76562 0.44274 0.31401 1.0000 + Pd Pd969 1.0 0.76562 0.50524 0.31401 1.0000 + Pd Pd970 1.0 0.76562 0.56774 0.31401 1.0000 + Pd Pd971 1.0 0.76562 0.63024 0.31401 1.0000 + Pd Pd972 1.0 0.76562 0.69274 0.31401 1.0000 + Pd Pd973 1.0 0.76562 0.75524 0.31401 1.0000 + Pd Pd974 1.0 0.76562 0.81774 0.31401 1.0000 + Pd Pd975 1.0 0.76562 0.88024 0.31401 1.0000 + Pd Pd976 1.0 0.76562 0.94274 0.31401 1.0000 + Pd Pd977 1.0 0.82812 0.00524 0.31401 1.0000 + Pd Pd978 1.0 0.82812 0.06774 0.31401 1.0000 + Pd Pd979 1.0 0.82812 0.13024 0.31401 1.0000 + Pd Pd980 1.0 0.82812 0.19274 0.31401 1.0000 + Pd Pd981 1.0 0.82812 0.25524 0.31401 1.0000 + Pd Pd982 1.0 0.82812 0.31774 0.31401 1.0000 + Pd Pd983 1.0 0.82812 0.38024 0.31401 1.0000 + Pd Pd984 1.0 0.82812 0.44274 0.31401 1.0000 + Pd Pd985 1.0 0.82812 0.50524 0.31401 1.0000 + Pd Pd986 1.0 0.82812 0.56774 0.31401 1.0000 + Pd Pd987 1.0 0.82812 0.63024 0.31401 1.0000 + Pd Pd988 1.0 0.82812 0.69274 0.31401 1.0000 + Pd Pd989 1.0 0.82812 0.75524 0.31401 1.0000 + Pd Pd990 1.0 0.82812 0.81774 0.31401 1.0000 + Pd Pd991 1.0 0.82812 0.88024 0.31401 1.0000 + Pd Pd992 1.0 0.82812 0.94274 0.31401 1.0000 + Pd Pd993 1.0 0.89062 0.00524 0.31401 1.0000 + Pd Pd994 1.0 0.89062 0.06774 0.31401 1.0000 + Pd Pd995 1.0 0.89062 0.13024 0.31401 1.0000 + Pd Pd996 1.0 0.89062 0.19274 0.31401 1.0000 + Pd Pd997 1.0 0.89062 0.25524 0.31401 1.0000 + Pd Pd998 1.0 0.89062 0.31774 0.31401 1.0000 + Pd Pd999 1.0 0.89062 0.38024 0.31401 1.0000 + Pd Pd1000 1.0 0.89062 0.44274 0.31401 1.0000 + Pd Pd1001 1.0 0.89062 0.50524 0.31401 1.0000 + Pd Pd1002 1.0 0.89062 0.56774 0.31401 1.0000 + Pd Pd1003 1.0 0.89062 0.63024 0.31401 1.0000 + Pd Pd1004 1.0 0.89062 0.69274 0.31401 1.0000 + Pd Pd1005 1.0 0.89062 0.75524 0.31401 1.0000 + Pd Pd1006 1.0 0.89062 0.81774 0.31401 1.0000 + Pd Pd1007 1.0 0.89062 0.88024 0.31401 1.0000 + Pd Pd1008 1.0 0.89062 0.94274 0.31401 1.0000 + Pd Pd1009 1.0 0.95312 0.00524 0.31401 1.0000 + Pd Pd1010 1.0 0.95312 0.06774 0.31401 1.0000 + Pd Pd1011 1.0 0.95312 0.13024 0.31401 1.0000 + Pd Pd1012 1.0 0.95312 0.19274 0.31401 1.0000 + Pd Pd1013 1.0 0.95312 0.25524 0.31401 1.0000 + Pd Pd1014 1.0 0.95312 0.31774 0.31401 1.0000 + Pd Pd1015 1.0 0.95312 0.38024 0.31401 1.0000 + Pd Pd1016 1.0 0.95312 0.44274 0.31401 1.0000 + Pd Pd1017 1.0 0.95312 0.50524 0.31401 1.0000 + Pd Pd1018 1.0 0.95312 0.56774 0.31401 1.0000 + Pd Pd1019 1.0 0.95312 0.63024 0.31401 1.0000 + Pd Pd1020 1.0 0.95312 0.69274 0.31401 1.0000 + Pd Pd1021 1.0 0.95312 0.75524 0.31401 1.0000 + Pd Pd1022 1.0 0.95312 0.81774 0.31401 1.0000 + Pd Pd1023 1.0 0.95312 0.88024 0.31401 1.0000 + Pd Pd1024 1.0 0.95312 0.94274 0.31401 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5957_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5957_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..96f9ad30fd474d5d03497aac76a45e5cee55f5b8 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5957_supercell_16x16x1.cif @@ -0,0 +1,537 @@ +data_image0 +_chemical_formula_structural S512 +_chemical_formula_sum "S512" +_cell_length_a 49.3449 +_cell_length_b 61.8053 +_cell_length_c 5.21612 +_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 + S S1 1.0 0.06247 0.01190 0.38343 1.0000 + S S2 1.0 0.06247 0.07440 0.38343 1.0000 + S S3 1.0 0.06247 0.13690 0.38343 1.0000 + S S4 1.0 0.06247 0.19940 0.38343 1.0000 + S S5 1.0 0.06247 0.26190 0.38343 1.0000 + S S6 1.0 0.06247 0.32440 0.38343 1.0000 + S S7 1.0 0.06247 0.38690 0.38343 1.0000 + S S8 1.0 0.06247 0.44940 0.38343 1.0000 + S S9 1.0 0.06247 0.51190 0.38343 1.0000 + S S10 1.0 0.06247 0.57440 0.38343 1.0000 + S S11 1.0 0.06247 0.63690 0.38343 1.0000 + S S12 1.0 0.06247 0.69940 0.38343 1.0000 + S S13 1.0 0.06247 0.76190 0.38343 1.0000 + S S14 1.0 0.06247 0.82440 0.38343 1.0000 + S S15 1.0 0.06247 0.88690 0.38343 1.0000 + S S16 1.0 0.06247 0.94940 0.38343 1.0000 + S S17 1.0 0.12497 0.01190 0.38343 1.0000 + S S18 1.0 0.12497 0.07440 0.38343 1.0000 + S S19 1.0 0.12497 0.13690 0.38343 1.0000 + S S20 1.0 0.12497 0.19940 0.38343 1.0000 + S S21 1.0 0.12497 0.26190 0.38343 1.0000 + S S22 1.0 0.12497 0.32440 0.38343 1.0000 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0.41254 1.0000 + P P1015 1.0 0.95312 0.38865 0.41254 1.0000 + P P1016 1.0 0.95312 0.45115 0.41254 1.0000 + P P1017 1.0 0.95312 0.51365 0.41254 1.0000 + P P1018 1.0 0.95312 0.57615 0.41254 1.0000 + P P1019 1.0 0.95312 0.63865 0.41254 1.0000 + P P1020 1.0 0.95312 0.70115 0.41254 1.0000 + P P1021 1.0 0.95312 0.76365 0.41254 1.0000 + P P1022 1.0 0.95312 0.82615 0.41254 1.0000 + P P1023 1.0 0.95312 0.88865 0.41254 1.0000 + P P1024 1.0 0.95312 0.95115 0.41254 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-595_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-595_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..ac130a3d18464eb17af91f26c5176f07796d5e67 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-595_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Zn256F512Zn256F512 +_chemical_formula_sum "Zn512 F1024" +_cell_length_a 87.5119 +_cell_length_b 50.525 +_cell_length_c 5.97574 +_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 0.00000 0.00000 0.49989 1.0000 + Zn Zn2 1.0 0.96875 0.03125 0.49989 1.0000 + Zn Zn3 1.0 0.93750 0.06250 0.49989 1.0000 + Zn Zn4 1.0 0.90625 0.09375 0.49989 1.0000 + Zn Zn5 1.0 0.87500 0.12500 0.49989 1.0000 + Zn Zn6 1.0 0.34375 0.65625 0.49989 1.0000 + Zn Zn7 1.0 0.81250 0.18750 0.49989 1.0000 + Zn Zn8 1.0 0.78125 0.21875 0.49989 1.0000 + Zn Zn9 1.0 0.75000 0.25000 0.49989 1.0000 + Zn Zn10 1.0 0.71875 0.28125 0.49989 1.0000 + Zn Zn11 1.0 0.68750 0.31250 0.49989 1.0000 + Zn Zn12 1.0 0.65625 0.34375 0.49989 1.0000 + Zn Zn13 1.0 0.62500 0.37500 0.49989 1.0000 + Zn Zn14 1.0 0.59375 0.40625 0.49989 1.0000 + Zn Zn15 1.0 0.56250 0.43750 0.49989 1.0000 + Zn Zn16 1.0 0.53125 0.46875 0.49989 1.0000 + Zn Zn17 1.0 0.03125 0.03125 0.49989 1.0000 + Zn Zn18 1.0 0.00000 0.06250 0.49989 1.0000 + Zn Zn19 1.0 0.96875 0.09375 0.49989 1.0000 + Zn Zn20 1.0 0.93750 0.12500 0.49989 1.0000 + Zn Zn21 1.0 0.90625 0.15625 0.49989 1.0000 + Zn Zn22 1.0 0.87500 0.18750 0.49989 1.0000 + Zn Zn23 1.0 0.84375 0.21875 0.49989 1.0000 + Zn Zn24 1.0 0.81250 0.25000 0.49989 1.0000 + Zn Zn25 1.0 0.78125 0.28125 0.49989 1.0000 + Zn Zn26 1.0 0.75000 0.31250 0.49989 1.0000 + Zn Zn27 1.0 0.71875 0.34375 0.49989 1.0000 + Zn Zn28 1.0 0.68750 0.37500 0.49989 1.0000 + Zn Zn29 1.0 0.65625 0.40625 0.49989 1.0000 + Zn Zn30 1.0 0.62500 0.43750 0.49989 1.0000 + Zn Zn31 1.0 0.59375 0.46875 0.49989 1.0000 + Zn Zn32 1.0 0.56250 0.50000 0.49989 1.0000 + Zn Zn33 1.0 0.06250 0.06250 0.49989 1.0000 + Zn Zn34 1.0 0.03125 0.09375 0.49989 1.0000 + Zn Zn35 1.0 0.00000 0.12500 0.49989 1.0000 + Zn Zn36 1.0 0.96875 0.15625 0.49989 1.0000 + Zn Zn37 1.0 0.93750 0.18750 0.49989 1.0000 + Zn Zn38 1.0 0.90625 0.21875 0.49989 1.0000 + Zn Zn39 1.0 0.87500 0.25000 0.49989 1.0000 + Zn Zn40 1.0 0.84375 0.28125 0.49989 1.0000 + Zn Zn41 1.0 0.81250 0.31250 0.49989 1.0000 + Zn Zn42 1.0 0.78125 0.34375 0.49989 1.0000 + Zn Zn43 1.0 0.75000 0.37500 0.49989 1.0000 + Zn Zn44 1.0 0.71875 0.40625 0.49989 1.0000 + Zn Zn45 1.0 0.68750 0.43750 0.49989 1.0000 + Zn Zn46 1.0 0.65625 0.46875 0.49989 1.0000 + Zn Zn47 1.0 0.62500 0.50000 0.49989 1.0000 + Zn Zn48 1.0 0.59375 0.53125 0.49989 1.0000 + Zn Zn49 1.0 0.09375 0.09375 0.49989 1.0000 + Zn Zn50 1.0 0.06250 0.12500 0.49989 1.0000 + Zn Zn51 1.0 0.03125 0.15625 0.49989 1.0000 + Zn Zn52 1.0 0.00000 0.18750 0.49989 1.0000 + Zn Zn53 1.0 0.96875 0.21875 0.49989 1.0000 + Zn Zn54 1.0 0.93750 0.25000 0.49989 1.0000 + Zn Zn55 1.0 0.90625 0.28125 0.49989 1.0000 + Zn Zn56 1.0 0.87500 0.31250 0.49989 1.0000 + Zn Zn57 1.0 0.84375 0.34375 0.49989 1.0000 + Zn Zn58 1.0 0.81250 0.37500 0.49989 1.0000 + Zn Zn59 1.0 0.78125 0.40625 0.49989 1.0000 + Zn Zn60 1.0 0.75000 0.43750 0.49989 1.0000 + Zn Zn61 1.0 0.71875 0.46875 0.49989 1.0000 + Zn Zn62 1.0 0.68750 0.50000 0.49989 1.0000 + Zn Zn63 1.0 0.65625 0.53125 0.49989 1.0000 + Zn Zn64 1.0 0.62500 0.56250 0.49989 1.0000 + Zn Zn65 1.0 0.12500 0.12500 0.49989 1.0000 + Zn Zn66 1.0 0.09375 0.15625 0.49989 1.0000 + Zn Zn67 1.0 0.06250 0.18750 0.49989 1.0000 + Zn Zn68 1.0 0.03125 0.21875 0.49989 1.0000 + Zn Zn69 1.0 0.00000 0.25000 0.49989 1.0000 + Zn Zn70 1.0 0.96875 0.28125 0.49989 1.0000 + Zn Zn71 1.0 0.93750 0.31250 0.49989 1.0000 + Zn Zn72 1.0 0.90625 0.34375 0.49989 1.0000 + Zn Zn73 1.0 0.87500 0.37500 0.49989 1.0000 + Zn Zn74 1.0 0.84375 0.40625 0.49989 1.0000 + Zn Zn75 1.0 0.81250 0.43750 0.49989 1.0000 + Zn Zn76 1.0 0.78125 0.46875 0.49989 1.0000 + Zn Zn77 1.0 0.75000 0.50000 0.49989 1.0000 + Zn Zn78 1.0 0.71875 0.53125 0.49989 1.0000 + Zn Zn79 1.0 0.68750 0.56250 0.49989 1.0000 + Zn Zn80 1.0 0.65625 0.59375 0.49989 1.0000 + Zn Zn81 1.0 0.15625 0.15625 0.49989 1.0000 + Zn Zn82 1.0 0.12500 0.18750 0.49989 1.0000 + Zn Zn83 1.0 0.09375 0.21875 0.49989 1.0000 + Zn Zn84 1.0 0.06250 0.25000 0.49989 1.0000 + Zn Zn85 1.0 0.03125 0.28125 0.49989 1.0000 + Zn Zn86 1.0 0.00000 0.31250 0.49989 1.0000 + Zn Zn87 1.0 0.96875 0.34375 0.49989 1.0000 + Zn Zn88 1.0 0.93750 0.37500 0.49989 1.0000 + Zn Zn89 1.0 0.90625 0.40625 0.49989 1.0000 + Zn Zn90 1.0 0.87500 0.43750 0.49989 1.0000 + Zn Zn91 1.0 0.84375 0.46875 0.49989 1.0000 + Zn Zn92 1.0 0.81250 0.50000 0.49989 1.0000 + Zn Zn93 1.0 0.78125 0.53125 0.49989 1.0000 + Zn Zn94 1.0 0.75000 0.56250 0.49989 1.0000 + Zn Zn95 1.0 0.71875 0.59375 0.49989 1.0000 + Zn Zn96 1.0 0.68750 0.62500 0.49989 1.0000 + Zn Zn97 1.0 0.18750 0.18750 0.49989 1.0000 + Zn Zn98 1.0 0.15625 0.21875 0.49989 1.0000 + Zn Zn99 1.0 0.12500 0.25000 0.49989 1.0000 + Zn Zn100 1.0 0.09375 0.28125 0.49989 1.0000 + Zn Zn101 1.0 0.06250 0.31250 0.49989 1.0000 + Zn Zn102 1.0 0.03125 0.34375 0.49989 1.0000 + Zn Zn103 1.0 0.00000 0.37500 0.49989 1.0000 + Zn Zn104 1.0 0.96875 0.40625 0.49989 1.0000 + Zn Zn105 1.0 0.93750 0.43750 0.49989 1.0000 + Zn Zn106 1.0 0.90625 0.46875 0.49989 1.0000 + Zn Zn107 1.0 0.87500 0.50000 0.49989 1.0000 + Zn Zn108 1.0 0.84375 0.53125 0.49989 1.0000 + Zn Zn109 1.0 0.81250 0.56250 0.49989 1.0000 + Zn Zn110 1.0 0.78125 0.59375 0.49989 1.0000 + Zn Zn111 1.0 0.75000 0.62500 0.49989 1.0000 + Zn Zn112 1.0 0.71875 0.65625 0.49989 1.0000 + Zn Zn113 1.0 0.21875 0.21875 0.49989 1.0000 + Zn Zn114 1.0 0.18750 0.25000 0.49989 1.0000 + Zn Zn115 1.0 0.15625 0.28125 0.49989 1.0000 + Zn Zn116 1.0 0.12500 0.31250 0.49989 1.0000 + Zn Zn117 1.0 0.09375 0.34375 0.49989 1.0000 + Zn Zn118 1.0 0.06250 0.37500 0.49989 1.0000 + Zn Zn119 1.0 0.03125 0.40625 0.49989 1.0000 + Zn Zn120 1.0 0.00000 0.43750 0.49989 1.0000 + Zn Zn121 1.0 0.96875 0.46875 0.49989 1.0000 + Zn Zn122 1.0 0.93750 0.50000 0.49989 1.0000 + Zn Zn123 1.0 0.90625 0.53125 0.49989 1.0000 + Zn Zn124 1.0 0.87500 0.56250 0.49989 1.0000 + Zn Zn125 1.0 0.84375 0.59375 0.49989 1.0000 + Zn Zn126 1.0 0.81250 0.62500 0.49989 1.0000 + Zn Zn127 1.0 0.78125 0.65625 0.49989 1.0000 + Zn Zn128 1.0 0.75000 0.68750 0.49989 1.0000 + Zn Zn129 1.0 0.25000 0.25000 0.49989 1.0000 + Zn Zn130 1.0 0.21875 0.28125 0.49989 1.0000 + Zn Zn131 1.0 0.18750 0.31250 0.49989 1.0000 + Zn Zn132 1.0 0.15625 0.34375 0.49989 1.0000 + Zn Zn133 1.0 0.12500 0.37500 0.49989 1.0000 + Zn Zn134 1.0 0.09375 0.40625 0.49989 1.0000 + Zn Zn135 1.0 0.06250 0.43750 0.49989 1.0000 + Zn Zn136 1.0 0.03125 0.46875 0.49989 1.0000 + Zn Zn137 1.0 0.00000 0.50000 0.49989 1.0000 + Zn Zn138 1.0 0.96875 0.53125 0.49989 1.0000 + Zn Zn139 1.0 0.93750 0.56250 0.49989 1.0000 + Zn Zn140 1.0 0.90625 0.59375 0.49989 1.0000 + Zn Zn141 1.0 0.87500 0.62500 0.49989 1.0000 + Zn Zn142 1.0 0.84375 0.65625 0.49989 1.0000 + Zn Zn143 1.0 0.81250 0.68750 0.49989 1.0000 + Zn Zn144 1.0 0.78125 0.71875 0.49989 1.0000 + Zn Zn145 1.0 0.28125 0.28125 0.49989 1.0000 + Zn Zn146 1.0 0.25000 0.31250 0.49989 1.0000 + Zn Zn147 1.0 0.21875 0.34375 0.49989 1.0000 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0.49989 1.0000 + Zn Zn170 1.0 0.03125 0.59375 0.49989 1.0000 + Zn Zn171 1.0 0.00000 0.62500 0.49989 1.0000 + Zn Zn172 1.0 0.96875 0.65625 0.49989 1.0000 + Zn Zn173 1.0 0.93750 0.68750 0.49989 1.0000 + Zn Zn174 1.0 0.90625 0.71875 0.49989 1.0000 + Zn Zn175 1.0 0.87500 0.75000 0.49989 1.0000 + Zn Zn176 1.0 0.84375 0.78125 0.49989 1.0000 + Zn Zn177 1.0 0.34375 0.34375 0.49989 1.0000 + Zn Zn178 1.0 0.31250 0.37500 0.49989 1.0000 + Zn Zn179 1.0 0.28125 0.40625 0.49989 1.0000 + Zn Zn180 1.0 0.25000 0.43750 0.49989 1.0000 + Zn Zn181 1.0 0.21875 0.46875 0.49989 1.0000 + Zn Zn182 1.0 0.18750 0.50000 0.49989 1.0000 + Zn Zn183 1.0 0.15625 0.53125 0.49989 1.0000 + Zn Zn184 1.0 0.12500 0.56250 0.49989 1.0000 + Zn Zn185 1.0 0.09375 0.59375 0.49989 1.0000 + Zn Zn186 1.0 0.06250 0.62500 0.49989 1.0000 + Zn Zn187 1.0 0.03125 0.65625 0.49989 1.0000 + Zn Zn188 1.0 0.00000 0.68750 0.49989 1.0000 + Zn Zn189 1.0 0.96875 0.71875 0.49989 1.0000 + Zn Zn190 1.0 0.93750 0.75000 0.49989 1.0000 + Zn Zn191 1.0 0.90625 0.78125 0.49989 1.0000 + Zn Zn192 1.0 0.87500 0.81250 0.49989 1.0000 + Zn Zn193 1.0 0.37500 0.37500 0.49989 1.0000 + Zn Zn194 1.0 0.34375 0.40625 0.49989 1.0000 + Zn Zn195 1.0 0.31250 0.43750 0.49989 1.0000 + Zn Zn196 1.0 0.28125 0.46875 0.49989 1.0000 + Zn Zn197 1.0 0.25000 0.50000 0.49989 1.0000 + Zn Zn198 1.0 0.21875 0.53125 0.49989 1.0000 + Zn Zn199 1.0 0.18750 0.56250 0.49989 1.0000 + Zn Zn200 1.0 0.15625 0.59375 0.49989 1.0000 + Zn Zn201 1.0 0.12500 0.62500 0.49989 1.0000 + Zn Zn202 1.0 0.09375 0.65625 0.49989 1.0000 + Zn Zn203 1.0 0.06250 0.68750 0.49989 1.0000 + Zn Zn204 1.0 0.03125 0.71875 0.49989 1.0000 + Zn Zn205 1.0 0.00000 0.75000 0.49989 1.0000 + Zn Zn206 1.0 0.96875 0.78125 0.49989 1.0000 + Zn Zn207 1.0 0.93750 0.81250 0.49989 1.0000 + Zn Zn208 1.0 0.90625 0.84375 0.49989 1.0000 + Zn Zn209 1.0 0.40625 0.40625 0.49989 1.0000 + Zn Zn210 1.0 0.37500 0.43750 0.49989 1.0000 + Zn Zn211 1.0 0.34375 0.46875 0.49989 1.0000 + Zn Zn212 1.0 0.31250 0.50000 0.49989 1.0000 + Zn Zn213 1.0 0.28125 0.53125 0.49989 1.0000 + Zn Zn214 1.0 0.25000 0.56250 0.49989 1.0000 + Zn Zn215 1.0 0.21875 0.59375 0.49989 1.0000 + Zn Zn216 1.0 0.18750 0.62500 0.49989 1.0000 + Zn Zn217 1.0 0.15625 0.65625 0.49989 1.0000 + Zn Zn218 1.0 0.12500 0.68750 0.49989 1.0000 + Zn Zn219 1.0 0.09375 0.71875 0.49989 1.0000 + Zn Zn220 1.0 0.06250 0.75000 0.49989 1.0000 + Zn Zn221 1.0 0.03125 0.78125 0.49989 1.0000 + Zn Zn222 1.0 0.00000 0.81250 0.49989 1.0000 + Zn Zn223 1.0 0.96875 0.84375 0.49989 1.0000 + Zn Zn224 1.0 0.93750 0.87500 0.49989 1.0000 + Zn Zn225 1.0 0.43750 0.43750 0.49989 1.0000 + Zn Zn226 1.0 0.40625 0.46875 0.49989 1.0000 + Zn Zn227 1.0 0.37500 0.50000 0.49989 1.0000 + Zn Zn228 1.0 0.34375 0.53125 0.49989 1.0000 + Zn Zn229 1.0 0.31250 0.56250 0.49989 1.0000 + Zn Zn230 1.0 0.28125 0.59375 0.49989 1.0000 + Zn Zn231 1.0 0.25000 0.62500 0.49989 1.0000 + Zn Zn232 1.0 0.21875 0.65625 0.49989 1.0000 + Zn Zn233 1.0 0.18750 0.68750 0.49989 1.0000 + Zn Zn234 1.0 0.15625 0.71875 0.49989 1.0000 + Zn Zn235 1.0 0.12500 0.75000 0.49989 1.0000 + Zn Zn236 1.0 0.09375 0.78125 0.49989 1.0000 + Zn Zn237 1.0 0.06250 0.81250 0.49989 1.0000 + Zn Zn238 1.0 0.03125 0.84375 0.49989 1.0000 + Zn Zn239 1.0 1.00000 0.87500 0.49989 1.0000 + Zn Zn240 1.0 0.96875 0.90625 0.49989 1.0000 + Zn Zn241 1.0 0.46875 0.46875 0.49989 1.0000 + Zn Zn242 1.0 0.43750 0.50000 0.49989 1.0000 + Zn Zn243 1.0 0.40625 0.53125 0.49989 1.0000 + Zn Zn244 1.0 0.37500 0.56250 0.49989 1.0000 + Zn Zn245 1.0 0.34375 0.59375 0.49989 1.0000 + Zn Zn246 1.0 0.31250 0.62500 0.49989 1.0000 + Zn Zn247 1.0 0.28125 0.65625 0.49989 1.0000 + Zn Zn248 1.0 0.25000 0.68750 0.49989 1.0000 + Zn Zn249 1.0 0.21875 0.71875 0.49989 1.0000 + Zn Zn250 1.0 0.18750 0.75000 0.49989 1.0000 + Zn Zn251 1.0 0.15625 0.78125 0.49989 1.0000 + Zn Zn252 1.0 0.12500 0.81250 0.49989 1.0000 + Zn Zn253 1.0 0.09375 0.84375 0.49989 1.0000 + Zn Zn254 1.0 0.06250 0.87500 0.49989 1.0000 + Zn Zn255 1.0 0.03125 0.90625 0.49989 1.0000 + Zn Zn256 1.0 1.00000 0.93750 0.49989 1.0000 + F F1 1.0 0.98958 0.03125 0.66531 1.0000 + F F2 1.0 0.95833 0.06250 0.66531 1.0000 + F F3 1.0 0.92708 0.09375 0.66531 1.0000 + F F4 1.0 0.89583 0.12500 0.66531 1.0000 + F F5 1.0 0.86458 0.15625 0.66531 1.0000 + F F6 1.0 0.83333 0.18750 0.66531 1.0000 + F F7 1.0 0.80208 0.21875 0.66531 1.0000 + F F8 1.0 0.77083 0.25000 0.66531 1.0000 + F F9 1.0 0.73958 0.28125 0.66531 1.0000 + F F10 1.0 0.70833 0.31250 0.66531 1.0000 + F F11 1.0 0.67708 0.34375 0.66531 1.0000 + F F12 1.0 0.64583 0.37500 0.66531 1.0000 + F F13 1.0 0.61458 0.40625 0.66531 1.0000 + F F14 1.0 0.58333 0.43750 0.66531 1.0000 + F F15 1.0 0.55208 0.46875 0.66531 1.0000 + F F16 1.0 0.52083 0.50000 0.66531 1.0000 + F F17 1.0 0.02083 0.06250 0.66531 1.0000 + F F18 1.0 0.98958 0.09375 0.66531 1.0000 + F F19 1.0 0.95833 0.12500 0.66531 1.0000 + F F20 1.0 0.92708 0.15625 0.66531 1.0000 + F F21 1.0 0.89583 0.18750 0.66531 1.0000 + F F22 1.0 0.86458 0.21875 0.66531 1.0000 + F F23 1.0 0.83333 0.25000 0.66531 1.0000 + F F24 1.0 0.80208 0.28125 0.66531 1.0000 + F F25 1.0 0.77083 0.31250 0.66531 1.0000 + F F26 1.0 0.73958 0.34375 0.66531 1.0000 + F F27 1.0 0.70833 0.37500 0.66531 1.0000 + F F28 1.0 0.67708 0.40625 0.66531 1.0000 + F F29 1.0 0.64583 0.43750 0.66531 1.0000 + F F30 1.0 0.61458 0.46875 0.66531 1.0000 + F F31 1.0 0.58333 0.50000 0.66531 1.0000 + F F32 1.0 0.55208 0.53125 0.66531 1.0000 + F F33 1.0 0.05208 0.09375 0.66531 1.0000 + F F34 1.0 0.02083 0.12500 0.66531 1.0000 + F F35 1.0 0.98958 0.15625 0.66531 1.0000 + F F36 1.0 0.95833 0.18750 0.66531 1.0000 + F F37 1.0 0.92708 0.21875 0.66531 1.0000 + F F38 1.0 0.89583 0.25000 0.66531 1.0000 + F F39 1.0 0.86458 0.28125 0.66531 1.0000 + F F40 1.0 0.83333 0.31250 0.66531 1.0000 + F F41 1.0 0.80208 0.34375 0.66531 1.0000 + F F42 1.0 0.77083 0.37500 0.66531 1.0000 + F F43 1.0 0.73958 0.40625 0.66531 1.0000 + F F44 1.0 0.70833 0.43750 0.66531 1.0000 + F F45 1.0 0.67708 0.46875 0.66531 1.0000 + F F46 1.0 0.64583 0.50000 0.66531 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1.0000 + F F411 1.0 0.97917 0.62500 0.33469 1.0000 + F F412 1.0 0.94792 0.65625 0.33469 1.0000 + F F413 1.0 0.91667 0.68750 0.33469 1.0000 + F F414 1.0 0.88542 0.71875 0.33469 1.0000 + F F415 1.0 0.85417 0.75000 0.33469 1.0000 + F F416 1.0 0.82292 0.78125 0.33469 1.0000 + F F417 1.0 0.32292 0.34375 0.33469 1.0000 + F F418 1.0 0.29167 0.37500 0.33469 1.0000 + F F419 1.0 0.26042 0.40625 0.33469 1.0000 + F F420 1.0 0.22917 0.43750 0.33469 1.0000 + F F421 1.0 0.19792 0.46875 0.33469 1.0000 + F F422 1.0 0.16667 0.50000 0.33469 1.0000 + F F423 1.0 0.13542 0.53125 0.33469 1.0000 + F F424 1.0 0.10417 0.56250 0.33469 1.0000 + F F425 1.0 0.07292 0.59375 0.33469 1.0000 + F F426 1.0 0.04167 0.62500 0.33469 1.0000 + F F427 1.0 0.01042 0.65625 0.33469 1.0000 + F F428 1.0 0.97917 0.68750 0.33469 1.0000 + F F429 1.0 0.94792 0.71875 0.33469 1.0000 + F F430 1.0 0.91667 0.75000 0.33469 1.0000 + F F431 1.0 0.88542 0.78125 0.33469 1.0000 + F F432 1.0 0.85417 0.81250 0.33469 1.0000 + F F433 1.0 0.35417 0.37500 0.33469 1.0000 + F F434 1.0 0.32292 0.40625 0.33469 1.0000 + F F435 1.0 0.29167 0.43750 0.33469 1.0000 + F F436 1.0 0.26042 0.46875 0.33469 1.0000 + F F437 1.0 0.22917 0.50000 0.33469 1.0000 + F F438 1.0 0.19792 0.53125 0.33469 1.0000 + F F439 1.0 0.16667 0.56250 0.33469 1.0000 + F F440 1.0 0.13542 0.59375 0.33469 1.0000 + F F441 1.0 0.10417 0.62500 0.33469 1.0000 + F F442 1.0 0.07292 0.65625 0.33469 1.0000 + F F443 1.0 0.04167 0.68750 0.33469 1.0000 + F F444 1.0 0.01042 0.71875 0.33469 1.0000 + F F445 1.0 0.97917 0.75000 0.33469 1.0000 + F F446 1.0 0.94792 0.78125 0.33469 1.0000 + F F447 1.0 0.91667 0.81250 0.33469 1.0000 + F F448 1.0 0.88542 0.84375 0.33469 1.0000 + F F449 1.0 0.38542 0.40625 0.33469 1.0000 + F F450 1.0 0.35417 0.43750 0.33469 1.0000 + F F451 1.0 0.32292 0.46875 0.33469 1.0000 + F F452 1.0 0.29167 0.50000 0.33469 1.0000 + F F453 1.0 0.26042 0.53125 0.33469 1.0000 + F F454 1.0 0.22917 0.56250 0.33469 1.0000 + F F455 1.0 0.19792 0.59375 0.33469 1.0000 + F F456 1.0 0.16667 0.62500 0.33469 1.0000 + F F457 1.0 0.13542 0.65625 0.33469 1.0000 + F F458 1.0 0.10417 0.68750 0.33469 1.0000 + F F459 1.0 0.07292 0.71875 0.33469 1.0000 + F F460 1.0 0.04167 0.75000 0.33469 1.0000 + F F461 1.0 0.01042 0.78125 0.33469 1.0000 + F F462 1.0 0.97917 0.81250 0.33469 1.0000 + F F463 1.0 0.94792 0.84375 0.33469 1.0000 + F F464 1.0 0.91667 0.87500 0.33469 1.0000 + F F465 1.0 0.41667 0.43750 0.33469 1.0000 + F F466 1.0 0.38542 0.46875 0.33469 1.0000 + F F467 1.0 0.35417 0.50000 0.33469 1.0000 + F F468 1.0 0.32292 0.53125 0.33469 1.0000 + F F469 1.0 0.29167 0.56250 0.33469 1.0000 + F F470 1.0 0.26042 0.59375 0.33469 1.0000 + F F471 1.0 0.22917 0.62500 0.33469 1.0000 + F F472 1.0 0.19792 0.65625 0.33469 1.0000 + F F473 1.0 0.16667 0.68750 0.33469 1.0000 + F F474 1.0 0.13542 0.71875 0.33469 1.0000 + F F475 1.0 0.10417 0.75000 0.33469 1.0000 + F F476 1.0 0.07292 0.78125 0.33469 1.0000 + F F477 1.0 0.04167 0.81250 0.33469 1.0000 + F F478 1.0 0.01042 0.84375 0.33469 1.0000 + F F479 1.0 0.97917 0.87500 0.33469 1.0000 + F F480 1.0 0.94792 0.90625 0.33469 1.0000 + F F481 1.0 0.44792 0.46875 0.33469 1.0000 + F F482 1.0 0.41667 0.50000 0.33469 1.0000 + F F483 1.0 0.38542 0.53125 0.33469 1.0000 + F F484 1.0 0.35417 0.56250 0.33469 1.0000 + F F485 1.0 0.32292 0.59375 0.33469 1.0000 + F F486 1.0 0.29167 0.62500 0.33469 1.0000 + F F487 1.0 0.26042 0.65625 0.33469 1.0000 + F F488 1.0 0.22917 0.68750 0.33469 1.0000 + F F489 1.0 0.19792 0.71875 0.33469 1.0000 + F F490 1.0 0.16667 0.75000 0.33469 1.0000 + F F491 1.0 0.13542 0.78125 0.33469 1.0000 + F F492 1.0 0.10417 0.81250 0.33469 1.0000 + F F493 1.0 0.07292 0.84375 0.33469 1.0000 + F F494 1.0 0.04167 0.87500 0.33469 1.0000 + F F495 1.0 0.01042 0.90625 0.33469 1.0000 + F F496 1.0 0.97917 0.93750 0.33469 1.0000 + F F497 1.0 0.47917 0.50000 0.33469 1.0000 + F F498 1.0 0.44792 0.53125 0.33469 1.0000 + F F499 1.0 0.41667 0.56250 0.33469 1.0000 + F F500 1.0 0.38542 0.59375 0.33469 1.0000 + F F501 1.0 0.35417 0.62500 0.33469 1.0000 + F F502 1.0 0.32292 0.65625 0.33469 1.0000 + F F503 1.0 0.29167 0.68750 0.33469 1.0000 + F F504 1.0 0.26042 0.71875 0.33469 1.0000 + F F505 1.0 0.22917 0.75000 0.33469 1.0000 + F F506 1.0 0.19792 0.78125 0.33469 1.0000 + F F507 1.0 0.16667 0.81250 0.33469 1.0000 + F F508 1.0 0.13542 0.84375 0.33469 1.0000 + F F509 1.0 0.10417 0.87500 0.33469 1.0000 + F F510 1.0 0.07292 0.90625 0.33469 1.0000 + F F511 1.0 0.04167 0.93750 0.33469 1.0000 + F F512 1.0 0.01042 0.96875 0.33469 1.0000 + Zn Zn257 1.0 0.50000 0.50000 0.49989 1.0000 + Zn Zn258 1.0 0.46875 0.53125 0.49989 1.0000 + Zn Zn259 1.0 0.43750 0.56250 0.49989 1.0000 + Zn Zn260 1.0 0.40625 0.59375 0.49989 1.0000 + Zn Zn261 1.0 0.37500 0.62500 0.49989 1.0000 + Zn Zn262 1.0 0.84375 0.15625 0.49989 1.0000 + Zn Zn263 1.0 0.31250 0.68750 0.49989 1.0000 + Zn Zn264 1.0 0.28125 0.71875 0.49989 1.0000 + Zn Zn265 1.0 0.25000 0.75000 0.49989 1.0000 + Zn Zn266 1.0 0.21875 0.78125 0.49989 1.0000 + Zn Zn267 1.0 0.18750 0.81250 0.49989 1.0000 + Zn Zn268 1.0 0.15625 0.84375 0.49989 1.0000 + Zn Zn269 1.0 0.12500 0.87500 0.49989 1.0000 + Zn Zn270 1.0 0.09375 0.90625 0.49989 1.0000 + Zn Zn271 1.0 0.06250 0.93750 0.49989 1.0000 + Zn Zn272 1.0 0.03125 0.96875 0.49989 1.0000 + Zn Zn273 1.0 0.53125 0.53125 0.49989 1.0000 + Zn Zn274 1.0 0.50000 0.56250 0.49989 1.0000 + Zn Zn275 1.0 0.46875 0.59375 0.49989 1.0000 + Zn Zn276 1.0 0.43750 0.62500 0.49989 1.0000 + Zn Zn277 1.0 0.40625 0.65625 0.49989 1.0000 + Zn Zn278 1.0 0.37500 0.68750 0.49989 1.0000 + Zn Zn279 1.0 0.34375 0.71875 0.49989 1.0000 + Zn Zn280 1.0 0.31250 0.75000 0.49989 1.0000 + Zn Zn281 1.0 0.28125 0.78125 0.49989 1.0000 + Zn Zn282 1.0 0.25000 0.81250 0.49989 1.0000 + Zn Zn283 1.0 0.21875 0.84375 0.49989 1.0000 + Zn Zn284 1.0 0.18750 0.87500 0.49989 1.0000 + Zn Zn285 1.0 0.15625 0.90625 0.49989 1.0000 + Zn Zn286 1.0 0.12500 0.93750 0.49989 1.0000 + Zn Zn287 1.0 0.09375 0.96875 0.49989 1.0000 + Zn Zn288 1.0 0.06250 0.00000 0.49989 1.0000 + Zn Zn289 1.0 0.56250 0.56250 0.49989 1.0000 + Zn Zn290 1.0 0.53125 0.59375 0.49989 1.0000 + Zn Zn291 1.0 0.50000 0.62500 0.49989 1.0000 + Zn Zn292 1.0 0.46875 0.65625 0.49989 1.0000 + Zn Zn293 1.0 0.43750 0.68750 0.49989 1.0000 + Zn Zn294 1.0 0.40625 0.71875 0.49989 1.0000 + Zn Zn295 1.0 0.37500 0.75000 0.49989 1.0000 + Zn Zn296 1.0 0.34375 0.78125 0.49989 1.0000 + Zn Zn297 1.0 0.31250 0.81250 0.49989 1.0000 + Zn Zn298 1.0 0.28125 0.84375 0.49989 1.0000 + Zn Zn299 1.0 0.25000 0.87500 0.49989 1.0000 + Zn Zn300 1.0 0.21875 0.90625 0.49989 1.0000 + Zn Zn301 1.0 0.18750 0.93750 0.49989 1.0000 + Zn Zn302 1.0 0.15625 0.96875 0.49989 1.0000 + Zn Zn303 1.0 0.12500 0.00000 0.49989 1.0000 + Zn Zn304 1.0 0.09375 0.03125 0.49989 1.0000 + Zn Zn305 1.0 0.59375 0.59375 0.49989 1.0000 + Zn Zn306 1.0 0.56250 0.62500 0.49989 1.0000 + Zn Zn307 1.0 0.53125 0.65625 0.49989 1.0000 + Zn Zn308 1.0 0.50000 0.68750 0.49989 1.0000 + Zn Zn309 1.0 0.46875 0.71875 0.49989 1.0000 + Zn Zn310 1.0 0.43750 0.75000 0.49989 1.0000 + Zn Zn311 1.0 0.40625 0.78125 0.49989 1.0000 + Zn Zn312 1.0 0.37500 0.81250 0.49989 1.0000 + Zn Zn313 1.0 0.34375 0.84375 0.49989 1.0000 + Zn Zn314 1.0 0.31250 0.87500 0.49989 1.0000 + Zn Zn315 1.0 0.28125 0.90625 0.49989 1.0000 + Zn Zn316 1.0 0.25000 0.93750 0.49989 1.0000 + Zn Zn317 1.0 0.21875 0.96875 0.49989 1.0000 + Zn Zn318 1.0 0.18750 0.00000 0.49989 1.0000 + Zn Zn319 1.0 0.15625 0.03125 0.49989 1.0000 + Zn Zn320 1.0 0.12500 0.06250 0.49989 1.0000 + Zn Zn321 1.0 0.62500 0.62500 0.49989 1.0000 + Zn Zn322 1.0 0.59375 0.65625 0.49989 1.0000 + Zn Zn323 1.0 0.56250 0.68750 0.49989 1.0000 + Zn Zn324 1.0 0.53125 0.71875 0.49989 1.0000 + Zn Zn325 1.0 0.50000 0.75000 0.49989 1.0000 + Zn Zn326 1.0 0.46875 0.78125 0.49989 1.0000 + Zn Zn327 1.0 0.43750 0.81250 0.49989 1.0000 + Zn Zn328 1.0 0.40625 0.84375 0.49989 1.0000 + Zn Zn329 1.0 0.37500 0.87500 0.49989 1.0000 + Zn Zn330 1.0 0.34375 0.90625 0.49989 1.0000 + Zn Zn331 1.0 0.31250 0.93750 0.49989 1.0000 + Zn Zn332 1.0 0.28125 0.96875 0.49989 1.0000 + Zn Zn333 1.0 0.25000 0.00000 0.49989 1.0000 + Zn Zn334 1.0 0.21875 0.03125 0.49989 1.0000 + Zn Zn335 1.0 0.18750 0.06250 0.49989 1.0000 + Zn Zn336 1.0 0.15625 0.09375 0.49989 1.0000 + Zn Zn337 1.0 0.65625 0.65625 0.49989 1.0000 + Zn Zn338 1.0 0.62500 0.68750 0.49989 1.0000 + Zn Zn339 1.0 0.59375 0.71875 0.49989 1.0000 + Zn Zn340 1.0 0.56250 0.75000 0.49989 1.0000 + Zn Zn341 1.0 0.53125 0.78125 0.49989 1.0000 + Zn Zn342 1.0 0.50000 0.81250 0.49989 1.0000 + Zn Zn343 1.0 0.46875 0.84375 0.49989 1.0000 + Zn Zn344 1.0 0.43750 0.87500 0.49989 1.0000 + Zn Zn345 1.0 0.40625 0.90625 0.49989 1.0000 + Zn Zn346 1.0 0.37500 0.93750 0.49989 1.0000 + Zn Zn347 1.0 0.34375 0.96875 0.49989 1.0000 + Zn Zn348 1.0 0.31250 0.00000 0.49989 1.0000 + Zn Zn349 1.0 0.28125 0.03125 0.49989 1.0000 + Zn Zn350 1.0 0.25000 0.06250 0.49989 1.0000 + Zn Zn351 1.0 0.21875 0.09375 0.49989 1.0000 + Zn Zn352 1.0 0.18750 0.12500 0.49989 1.0000 + Zn Zn353 1.0 0.68750 0.68750 0.49989 1.0000 + Zn Zn354 1.0 0.65625 0.71875 0.49989 1.0000 + Zn Zn355 1.0 0.62500 0.75000 0.49989 1.0000 + Zn Zn356 1.0 0.59375 0.78125 0.49989 1.0000 + Zn Zn357 1.0 0.56250 0.81250 0.49989 1.0000 + Zn Zn358 1.0 0.53125 0.84375 0.49989 1.0000 + Zn Zn359 1.0 0.50000 0.87500 0.49989 1.0000 + Zn Zn360 1.0 0.46875 0.90625 0.49989 1.0000 + Zn Zn361 1.0 0.43750 0.93750 0.49989 1.0000 + Zn Zn362 1.0 0.40625 0.96875 0.49989 1.0000 + Zn Zn363 1.0 0.37500 0.00000 0.49989 1.0000 + Zn Zn364 1.0 0.34375 0.03125 0.49989 1.0000 + Zn Zn365 1.0 0.31250 0.06250 0.49989 1.0000 + Zn Zn366 1.0 0.28125 0.09375 0.49989 1.0000 + Zn Zn367 1.0 0.25000 0.12500 0.49989 1.0000 + Zn Zn368 1.0 0.21875 0.15625 0.49989 1.0000 + Zn Zn369 1.0 0.71875 0.71875 0.49989 1.0000 + Zn Zn370 1.0 0.68750 0.75000 0.49989 1.0000 + Zn Zn371 1.0 0.65625 0.78125 0.49989 1.0000 + Zn Zn372 1.0 0.62500 0.81250 0.49989 1.0000 + Zn Zn373 1.0 0.59375 0.84375 0.49989 1.0000 + Zn Zn374 1.0 0.56250 0.87500 0.49989 1.0000 + Zn Zn375 1.0 0.53125 0.90625 0.49989 1.0000 + Zn Zn376 1.0 0.50000 0.93750 0.49989 1.0000 + Zn Zn377 1.0 0.46875 0.96875 0.49989 1.0000 + Zn Zn378 1.0 0.43750 0.00000 0.49989 1.0000 + Zn Zn379 1.0 0.40625 0.03125 0.49989 1.0000 + Zn Zn380 1.0 0.37500 0.06250 0.49989 1.0000 + Zn Zn381 1.0 0.34375 0.09375 0.49989 1.0000 + Zn Zn382 1.0 0.31250 0.12500 0.49989 1.0000 + Zn Zn383 1.0 0.28125 0.15625 0.49989 1.0000 + Zn Zn384 1.0 0.25000 0.18750 0.49989 1.0000 + Zn Zn385 1.0 0.75000 0.75000 0.49989 1.0000 + Zn Zn386 1.0 0.71875 0.78125 0.49989 1.0000 + Zn Zn387 1.0 0.68750 0.81250 0.49989 1.0000 + Zn Zn388 1.0 0.65625 0.84375 0.49989 1.0000 + Zn Zn389 1.0 0.62500 0.87500 0.49989 1.0000 + Zn Zn390 1.0 0.59375 0.90625 0.49989 1.0000 + Zn Zn391 1.0 0.56250 0.93750 0.49989 1.0000 + Zn Zn392 1.0 0.53125 0.96875 0.49989 1.0000 + Zn Zn393 1.0 0.50000 0.00000 0.49989 1.0000 + Zn Zn394 1.0 0.46875 0.03125 0.49989 1.0000 + Zn Zn395 1.0 0.43750 0.06250 0.49989 1.0000 + Zn Zn396 1.0 0.40625 0.09375 0.49989 1.0000 + Zn Zn397 1.0 0.37500 0.12500 0.49989 1.0000 + Zn Zn398 1.0 0.34375 0.15625 0.49989 1.0000 + Zn Zn399 1.0 0.31250 0.18750 0.49989 1.0000 + Zn Zn400 1.0 0.28125 0.21875 0.49989 1.0000 + Zn Zn401 1.0 0.78125 0.78125 0.49989 1.0000 + Zn Zn402 1.0 0.75000 0.81250 0.49989 1.0000 + Zn Zn403 1.0 0.71875 0.84375 0.49989 1.0000 + Zn Zn404 1.0 0.68750 0.87500 0.49989 1.0000 + Zn Zn405 1.0 0.65625 0.90625 0.49989 1.0000 + Zn Zn406 1.0 0.62500 0.93750 0.49989 1.0000 + Zn Zn407 1.0 0.59375 0.96875 0.49989 1.0000 + Zn Zn408 1.0 0.56250 0.00000 0.49989 1.0000 + Zn Zn409 1.0 0.53125 0.03125 0.49989 1.0000 + Zn Zn410 1.0 0.50000 0.06250 0.49989 1.0000 + Zn Zn411 1.0 0.46875 0.09375 0.49989 1.0000 + Zn Zn412 1.0 0.43750 0.12500 0.49989 1.0000 + Zn Zn413 1.0 0.40625 0.15625 0.49989 1.0000 + Zn Zn414 1.0 0.37500 0.18750 0.49989 1.0000 + Zn Zn415 1.0 0.34375 0.21875 0.49989 1.0000 + Zn Zn416 1.0 0.31250 0.25000 0.49989 1.0000 + Zn Zn417 1.0 0.81250 0.81250 0.49989 1.0000 + Zn Zn418 1.0 0.78125 0.84375 0.49989 1.0000 + Zn Zn419 1.0 0.75000 0.87500 0.49989 1.0000 + Zn Zn420 1.0 0.71875 0.90625 0.49989 1.0000 + Zn Zn421 1.0 0.68750 0.93750 0.49989 1.0000 + Zn Zn422 1.0 0.65625 0.96875 0.49989 1.0000 + Zn Zn423 1.0 0.62500 0.00000 0.49989 1.0000 + Zn Zn424 1.0 0.59375 0.03125 0.49989 1.0000 + Zn Zn425 1.0 0.56250 0.06250 0.49989 1.0000 + Zn Zn426 1.0 0.53125 0.09375 0.49989 1.0000 + Zn Zn427 1.0 0.50000 0.12500 0.49989 1.0000 + Zn Zn428 1.0 0.46875 0.15625 0.49989 1.0000 + Zn Zn429 1.0 0.43750 0.18750 0.49989 1.0000 + Zn Zn430 1.0 0.40625 0.21875 0.49989 1.0000 + Zn Zn431 1.0 0.37500 0.25000 0.49989 1.0000 + Zn Zn432 1.0 0.34375 0.28125 0.49989 1.0000 + Zn Zn433 1.0 0.84375 0.84375 0.49989 1.0000 + Zn Zn434 1.0 0.81250 0.87500 0.49989 1.0000 + Zn Zn435 1.0 0.78125 0.90625 0.49989 1.0000 + Zn Zn436 1.0 0.75000 0.93750 0.49989 1.0000 + Zn Zn437 1.0 0.71875 0.96875 0.49989 1.0000 + Zn Zn438 1.0 0.68750 0.00000 0.49989 1.0000 + Zn Zn439 1.0 0.65625 0.03125 0.49989 1.0000 + Zn Zn440 1.0 0.62500 0.06250 0.49989 1.0000 + Zn Zn441 1.0 0.59375 0.09375 0.49989 1.0000 + Zn Zn442 1.0 0.56250 0.12500 0.49989 1.0000 + Zn Zn443 1.0 0.53125 0.15625 0.49989 1.0000 + Zn Zn444 1.0 0.50000 0.18750 0.49989 1.0000 + Zn Zn445 1.0 0.46875 0.21875 0.49989 1.0000 + Zn Zn446 1.0 0.43750 0.25000 0.49989 1.0000 + Zn Zn447 1.0 0.40625 0.28125 0.49989 1.0000 + Zn Zn448 1.0 0.37500 0.31250 0.49989 1.0000 + Zn Zn449 1.0 0.87500 0.87500 0.49989 1.0000 + Zn Zn450 1.0 0.84375 0.90625 0.49989 1.0000 + Zn Zn451 1.0 0.81250 0.93750 0.49989 1.0000 + Zn Zn452 1.0 0.78125 0.96875 0.49989 1.0000 + Zn Zn453 1.0 0.75000 0.00000 0.49989 1.0000 + Zn Zn454 1.0 0.71875 0.03125 0.49989 1.0000 + Zn Zn455 1.0 0.68750 0.06250 0.49989 1.0000 + Zn Zn456 1.0 0.65625 0.09375 0.49989 1.0000 + Zn Zn457 1.0 0.62500 0.12500 0.49989 1.0000 + Zn Zn458 1.0 0.59375 0.15625 0.49989 1.0000 + Zn Zn459 1.0 0.56250 0.18750 0.49989 1.0000 + Zn Zn460 1.0 0.53125 0.21875 0.49989 1.0000 + Zn Zn461 1.0 0.50000 0.25000 0.49989 1.0000 + Zn Zn462 1.0 0.46875 0.28125 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b/tier2/cif_file/orthogonal_2dm-5961_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..36ee27caeb95b7dc8b3af5323f3b751ee2192c83 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5961_supercell_16x16x1.cif @@ -0,0 +1,537 @@ +data_image0 +_chemical_formula_structural Ba512 +_chemical_formula_sum "Ba512" +_cell_length_a 94.8931 +_cell_length_b 94.8931 +_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 + Ba Ba1 1.0 0.01572 0.04678 0.50000 1.0000 + Ba Ba2 1.0 0.01572 0.10928 0.50000 1.0000 + Ba Ba3 1.0 0.01572 0.17178 0.50000 1.0000 + Ba Ba4 1.0 0.01572 0.23428 0.50000 1.0000 + Ba Ba5 1.0 0.01572 0.29678 0.50000 1.0000 + Ba Ba6 1.0 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+_chemical_formula_sum "Si1024" +_cell_length_a 77.0888 +_cell_length_b 44.5072 +_cell_length_c 6.09557 +_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 0.04167 0.00000 0.67189 1.0000 + Si Si2 1.0 0.07292 0.03125 0.67189 1.0000 + Si Si3 1.0 0.10417 0.06250 0.67189 1.0000 + Si Si4 1.0 0.13542 0.09375 0.67189 1.0000 + Si Si5 1.0 0.16667 0.12500 0.67189 1.0000 + Si Si6 1.0 0.19792 0.15625 0.67189 1.0000 + Si Si7 1.0 0.22917 0.18750 0.67189 1.0000 + Si Si8 1.0 0.26042 0.21875 0.67189 1.0000 + Si Si9 1.0 0.29167 0.25000 0.67189 1.0000 + Si Si10 1.0 0.32292 0.28125 0.67189 1.0000 + Si Si11 1.0 0.35417 0.31250 0.67189 1.0000 + Si Si12 1.0 0.38542 0.34375 0.67189 1.0000 + Si Si13 1.0 0.41667 0.37500 0.67189 1.0000 + Si Si14 1.0 0.44792 0.40625 0.67189 1.0000 + Si Si15 1.0 0.47917 0.43750 0.67189 1.0000 + Si Si16 1.0 0.51042 0.46875 0.67189 1.0000 + Si Si17 1.0 0.07292 0.96875 0.67189 1.0000 + Si Si18 1.0 0.10417 0.00000 0.67189 1.0000 + Si Si19 1.0 0.13542 0.03125 0.67189 1.0000 + Si Si20 1.0 0.16667 0.06250 0.67189 1.0000 + Si Si21 1.0 0.19792 0.09375 0.67189 1.0000 + Si Si22 1.0 0.22917 0.12500 0.67189 1.0000 + Si Si23 1.0 0.26042 0.15625 0.67189 1.0000 + Si Si24 1.0 0.29167 0.18750 0.67189 1.0000 + Si Si25 1.0 0.32292 0.21875 0.67189 1.0000 + Si Si26 1.0 0.35417 0.25000 0.67189 1.0000 + Si Si27 1.0 0.38542 0.28125 0.67189 1.0000 + Si Si28 1.0 0.41667 0.31250 0.67189 1.0000 + Si Si29 1.0 0.44792 0.34375 0.67189 1.0000 + Si Si30 1.0 0.47917 0.37500 0.67189 1.0000 + Si Si31 1.0 0.51042 0.40625 0.67189 1.0000 + Si Si32 1.0 0.54167 0.43750 0.67189 1.0000 + Si Si33 1.0 0.10417 0.93750 0.67189 1.0000 + Si Si34 1.0 0.13542 0.96875 0.67189 1.0000 + Si Si35 1.0 0.16667 0.00000 0.67189 1.0000 + Si Si36 1.0 0.19792 0.03125 0.67189 1.0000 + Si Si37 1.0 0.22917 0.06250 0.67189 1.0000 + Si Si38 1.0 0.26042 0.09375 0.67189 1.0000 + Si Si39 1.0 0.29167 0.12500 0.67189 1.0000 + Si Si40 1.0 0.32292 0.15625 0.67189 1.0000 + Si Si41 1.0 0.35417 0.18750 0.67189 1.0000 + Si Si42 1.0 0.38542 0.21875 0.67189 1.0000 + Si Si43 1.0 0.41667 0.25000 0.67189 1.0000 + Si Si44 1.0 0.44792 0.28125 0.67189 1.0000 + Si Si45 1.0 0.47917 0.31250 0.67189 1.0000 + Si Si46 1.0 0.51042 0.34375 0.67189 1.0000 + Si Si47 1.0 0.54167 0.37500 0.67189 1.0000 + Si Si48 1.0 0.57292 0.40625 0.67189 1.0000 + Si Si49 1.0 0.13542 0.90625 0.67189 1.0000 + Si Si50 1.0 0.16667 0.93750 0.67189 1.0000 + Si Si51 1.0 0.19792 0.96875 0.67189 1.0000 + Si Si52 1.0 0.22917 0.00000 0.67189 1.0000 + Si Si53 1.0 0.26042 0.03125 0.67189 1.0000 + Si Si54 1.0 0.29167 0.06250 0.67189 1.0000 + Si Si55 1.0 0.32292 0.09375 0.67189 1.0000 + Si Si56 1.0 0.35417 0.12500 0.67189 1.0000 + Si Si57 1.0 0.38542 0.15625 0.67189 1.0000 + Si Si58 1.0 0.41667 0.18750 0.67189 1.0000 + Si Si59 1.0 0.44792 0.21875 0.67189 1.0000 + Si Si60 1.0 0.47917 0.25000 0.67189 1.0000 + Si Si61 1.0 0.51042 0.28125 0.67189 1.0000 + Si Si62 1.0 0.54167 0.31250 0.67189 1.0000 + Si Si63 1.0 0.57292 0.34375 0.67189 1.0000 + Si Si64 1.0 0.60417 0.37500 0.67189 1.0000 + Si Si65 1.0 0.16667 0.87500 0.67189 1.0000 + Si Si66 1.0 0.19792 0.90625 0.67189 1.0000 + Si Si67 1.0 0.22917 0.93750 0.67189 1.0000 + Si Si68 1.0 0.26042 0.96875 0.67189 1.0000 + Si Si69 1.0 0.29167 0.00000 0.67189 1.0000 + Si Si70 1.0 0.32292 0.03125 0.67189 1.0000 + Si Si71 1.0 0.35417 0.06250 0.67189 1.0000 + Si Si72 1.0 0.38542 0.09375 0.67189 1.0000 + Si Si73 1.0 0.41667 0.12500 0.67189 1.0000 + Si Si74 1.0 0.44792 0.15625 0.67189 1.0000 + Si Si75 1.0 0.47917 0.18750 0.67189 1.0000 + Si Si76 1.0 0.51042 0.21875 0.67189 1.0000 + Si Si77 1.0 0.54167 0.25000 0.67189 1.0000 + Si Si78 1.0 0.57292 0.28125 0.67189 1.0000 + Si Si79 1.0 0.60417 0.31250 0.67189 1.0000 + Si Si80 1.0 0.63542 0.34375 0.67189 1.0000 + Si Si81 1.0 0.19792 0.84375 0.67189 1.0000 + Si Si82 1.0 0.22917 0.87500 0.67189 1.0000 + Si Si83 1.0 0.26042 0.90625 0.67189 1.0000 + Si Si84 1.0 0.29167 0.93750 0.67189 1.0000 + Si Si85 1.0 0.32292 0.96875 0.67189 1.0000 + Si Si86 1.0 0.35417 0.00000 0.67189 1.0000 + Si Si87 1.0 0.38542 0.03125 0.67189 1.0000 + Si Si88 1.0 0.41667 0.06250 0.67189 1.0000 + Si Si89 1.0 0.44792 0.09375 0.67189 1.0000 + Si Si90 1.0 0.47917 0.12500 0.67189 1.0000 + Si Si91 1.0 0.51042 0.15625 0.67189 1.0000 + Si Si92 1.0 0.54167 0.18750 0.67189 1.0000 + Si Si93 1.0 0.57292 0.21875 0.67189 1.0000 + Si Si94 1.0 0.60417 0.25000 0.67189 1.0000 + Si Si95 1.0 0.63542 0.28125 0.67189 1.0000 + Si Si96 1.0 0.66667 0.31250 0.67189 1.0000 + Si Si97 1.0 0.22917 0.81250 0.67189 1.0000 + Si Si98 1.0 0.26042 0.84375 0.67189 1.0000 + Si Si99 1.0 0.29167 0.87500 0.67189 1.0000 + Si Si100 1.0 0.32292 0.90625 0.67189 1.0000 + Si Si101 1.0 0.35417 0.93750 0.67189 1.0000 + Si Si102 1.0 0.38542 0.96875 0.67189 1.0000 + Si Si103 1.0 0.41667 0.00000 0.67189 1.0000 + Si Si104 1.0 0.44792 0.03125 0.67189 1.0000 + Si Si105 1.0 0.47917 0.06250 0.67189 1.0000 + Si Si106 1.0 0.51042 0.09375 0.67189 1.0000 + Si Si107 1.0 0.54167 0.12500 0.67189 1.0000 + Si Si108 1.0 0.57292 0.15625 0.67189 1.0000 + Si Si109 1.0 0.60417 0.18750 0.67189 1.0000 + Si Si110 1.0 0.63542 0.21875 0.67189 1.0000 + Si Si111 1.0 0.66667 0.25000 0.67189 1.0000 + Si Si112 1.0 0.69792 0.28125 0.67189 1.0000 + Si Si113 1.0 0.26042 0.78125 0.67189 1.0000 + Si Si114 1.0 0.29167 0.81250 0.67189 1.0000 + Si Si115 1.0 0.32292 0.84375 0.67189 1.0000 + Si Si116 1.0 0.35417 0.87500 0.67189 1.0000 + Si Si117 1.0 0.38542 0.90625 0.67189 1.0000 + Si Si118 1.0 0.41667 0.93750 0.67189 1.0000 + Si Si119 1.0 0.44792 0.96875 0.67189 1.0000 + Si Si120 1.0 0.47917 0.00000 0.67189 1.0000 + Si Si121 1.0 0.51042 0.03125 0.67189 1.0000 + Si Si122 1.0 0.54167 0.06250 0.67189 1.0000 + Si Si123 1.0 0.57292 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1.0 0.32292 0.71875 0.67189 1.0000 + Si Si146 1.0 0.35417 0.75000 0.67189 1.0000 + Si Si147 1.0 0.38542 0.78125 0.67189 1.0000 + Si Si148 1.0 0.41667 0.81250 0.67189 1.0000 + Si Si149 1.0 0.44792 0.84375 0.67189 1.0000 + Si Si150 1.0 0.47917 0.87500 0.67189 1.0000 + Si Si151 1.0 0.51042 0.90625 0.67189 1.0000 + Si Si152 1.0 0.54167 0.93750 0.67189 1.0000 + Si Si153 1.0 0.57292 0.96875 0.67189 1.0000 + Si Si154 1.0 0.60417 0.00000 0.67189 1.0000 + Si Si155 1.0 0.63542 0.03125 0.67189 1.0000 + Si Si156 1.0 0.66667 0.06250 0.67189 1.0000 + Si Si157 1.0 0.69792 0.09375 0.67189 1.0000 + Si Si158 1.0 0.72917 0.12500 0.67189 1.0000 + Si Si159 1.0 0.76042 0.15625 0.67189 1.0000 + Si Si160 1.0 0.79167 0.18750 0.67189 1.0000 + Si Si161 1.0 0.35417 0.68750 0.67189 1.0000 + Si Si162 1.0 0.38542 0.71875 0.67189 1.0000 + Si Si163 1.0 0.41667 0.75000 0.67189 1.0000 + Si Si164 1.0 0.44792 0.78125 0.67189 1.0000 + Si Si165 1.0 0.47917 0.81250 0.67189 1.0000 + Si Si166 1.0 0.51042 0.84375 0.67189 1.0000 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0.67189 1.0000 + Si Si189 1.0 0.76042 0.03125 0.67189 1.0000 + Si Si190 1.0 0.79167 0.06250 0.67189 1.0000 + Si Si191 1.0 0.82292 0.09375 0.67189 1.0000 + Si Si192 1.0 0.85417 0.12500 0.67189 1.0000 + Si Si193 1.0 0.41667 0.62500 0.67189 1.0000 + Si Si194 1.0 0.44792 0.65625 0.67189 1.0000 + Si Si195 1.0 0.47917 0.68750 0.67189 1.0000 + Si Si196 1.0 0.51042 0.71875 0.67189 1.0000 + Si Si197 1.0 0.54167 0.75000 0.67189 1.0000 + Si Si198 1.0 0.57292 0.78125 0.67189 1.0000 + Si Si199 1.0 0.60417 0.81250 0.67189 1.0000 + Si Si200 1.0 0.63542 0.84375 0.67189 1.0000 + Si Si201 1.0 0.66667 0.87500 0.67189 1.0000 + Si Si202 1.0 0.69792 0.90625 0.67189 1.0000 + Si Si203 1.0 0.72917 0.93750 0.67189 1.0000 + Si Si204 1.0 0.76042 0.96875 0.67189 1.0000 + Si Si205 1.0 0.79167 0.00000 0.67189 1.0000 + Si Si206 1.0 0.82292 0.03125 0.67189 1.0000 + Si Si207 1.0 0.85417 0.06250 0.67189 1.0000 + Si Si208 1.0 0.88542 0.09375 0.67189 1.0000 + Si Si209 1.0 0.44792 0.59375 0.67189 1.0000 + Si Si210 1.0 0.47917 0.62500 0.67189 1.0000 + Si Si211 1.0 0.51042 0.65625 0.67189 1.0000 + Si Si212 1.0 0.54167 0.68750 0.67189 1.0000 + Si Si213 1.0 0.57292 0.71875 0.67189 1.0000 + Si Si214 1.0 0.60417 0.75000 0.67189 1.0000 + Si Si215 1.0 0.63542 0.78125 0.67189 1.0000 + Si Si216 1.0 0.66667 0.81250 0.67189 1.0000 + Si Si217 1.0 0.69792 0.84375 0.67189 1.0000 + Si Si218 1.0 0.72917 0.87500 0.67189 1.0000 + Si Si219 1.0 0.76042 0.90625 0.67189 1.0000 + Si Si220 1.0 0.79167 0.93750 0.67189 1.0000 + Si Si221 1.0 0.82292 0.96875 0.67189 1.0000 + Si Si222 1.0 0.85417 0.00000 0.67189 1.0000 + Si Si223 1.0 0.88542 0.03125 0.67189 1.0000 + Si Si224 1.0 0.91667 0.06250 0.67189 1.0000 + Si Si225 1.0 0.47917 0.56250 0.67189 1.0000 + Si Si226 1.0 0.51042 0.59375 0.67189 1.0000 + Si Si227 1.0 0.54167 0.62500 0.67189 1.0000 + Si Si228 1.0 0.57292 0.65625 0.67189 1.0000 + Si Si229 1.0 0.60417 0.68750 0.67189 1.0000 + Si Si230 1.0 0.63542 0.71875 0.67189 1.0000 + Si Si231 1.0 0.66667 0.75000 0.67189 1.0000 + Si Si232 1.0 0.69792 0.78125 0.67189 1.0000 + Si Si233 1.0 0.72917 0.81250 0.67189 1.0000 + Si Si234 1.0 0.76042 0.84375 0.67189 1.0000 + Si Si235 1.0 0.79167 0.87500 0.67189 1.0000 + Si Si236 1.0 0.82292 0.90625 0.67189 1.0000 + Si Si237 1.0 0.85417 0.93750 0.67189 1.0000 + Si Si238 1.0 0.88542 0.96875 0.67189 1.0000 + Si Si239 1.0 0.91667 0.00000 0.67189 1.0000 + Si Si240 1.0 0.94792 0.03125 0.67189 1.0000 + Si Si241 1.0 0.51042 0.53125 0.67189 1.0000 + Si Si242 1.0 0.54167 0.56250 0.67189 1.0000 + Si Si243 1.0 0.57292 0.59375 0.67189 1.0000 + Si Si244 1.0 0.60417 0.62500 0.67189 1.0000 + Si Si245 1.0 0.63542 0.65625 0.67189 1.0000 + Si Si246 1.0 0.66667 0.68750 0.67189 1.0000 + Si Si247 1.0 0.69792 0.71875 0.67189 1.0000 + Si Si248 1.0 0.72917 0.75000 0.67189 1.0000 + Si Si249 1.0 0.76042 0.78125 0.67189 1.0000 + Si Si250 1.0 0.79167 0.81250 0.67189 1.0000 + Si Si251 1.0 0.82292 0.84375 0.67189 1.0000 + Si Si252 1.0 0.85417 0.87500 0.67189 1.0000 + Si Si253 1.0 0.88542 0.90625 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0.11458 0.03125 0.32811 1.0000 + Si Si276 1.0 0.14583 0.06250 0.32811 1.0000 + Si Si277 1.0 0.17708 0.09375 0.32811 1.0000 + Si Si278 1.0 0.20833 0.12500 0.32811 1.0000 + Si Si279 1.0 0.23958 0.15625 0.32811 1.0000 + Si Si280 1.0 0.27083 0.18750 0.32811 1.0000 + Si Si281 1.0 0.30208 0.21875 0.32811 1.0000 + Si Si282 1.0 0.33333 0.25000 0.32811 1.0000 + Si Si283 1.0 0.36458 0.28125 0.32811 1.0000 + Si Si284 1.0 0.39583 0.31250 0.32811 1.0000 + Si Si285 1.0 0.42708 0.34375 0.32811 1.0000 + Si Si286 1.0 0.45833 0.37500 0.32811 1.0000 + Si Si287 1.0 0.48958 0.40625 0.32811 1.0000 + Si Si288 1.0 0.52083 0.43750 0.32811 1.0000 + Si Si289 1.0 0.08333 0.93750 0.32811 1.0000 + Si Si290 1.0 0.11458 0.96875 0.32811 1.0000 + Si Si291 1.0 0.14583 0.00000 0.32811 1.0000 + Si Si292 1.0 0.17708 0.03125 0.32811 1.0000 + Si Si293 1.0 0.20833 0.06250 0.32811 1.0000 + Si Si294 1.0 0.23958 0.09375 0.32811 1.0000 + Si Si295 1.0 0.27083 0.12500 0.32811 1.0000 + Si Si296 1.0 0.30208 0.15625 0.32811 1.0000 + Si Si297 1.0 0.33333 0.18750 0.32811 1.0000 + Si Si298 1.0 0.36458 0.21875 0.32811 1.0000 + Si Si299 1.0 0.39583 0.25000 0.32811 1.0000 + Si Si300 1.0 0.42708 0.28125 0.32811 1.0000 + Si Si301 1.0 0.45833 0.31250 0.32811 1.0000 + Si Si302 1.0 0.48958 0.34375 0.32811 1.0000 + Si Si303 1.0 0.52083 0.37500 0.32811 1.0000 + Si Si304 1.0 0.55208 0.40625 0.32811 1.0000 + Si Si305 1.0 0.11458 0.90625 0.32811 1.0000 + Si Si306 1.0 0.14583 0.93750 0.32811 1.0000 + Si Si307 1.0 0.17708 0.96875 0.32811 1.0000 + Si Si308 1.0 0.20833 0.00000 0.32811 1.0000 + Si Si309 1.0 0.23958 0.03125 0.32811 1.0000 + Si Si310 1.0 0.27083 0.06250 0.32811 1.0000 + Si Si311 1.0 0.30208 0.09375 0.32811 1.0000 + Si Si312 1.0 0.33333 0.12500 0.32811 1.0000 + Si Si313 1.0 0.36458 0.15625 0.32811 1.0000 + Si Si314 1.0 0.39583 0.18750 0.32811 1.0000 + Si Si315 1.0 0.42708 0.21875 0.32811 1.0000 + Si Si316 1.0 0.45833 0.25000 0.32811 1.0000 + Si Si317 1.0 0.48958 0.28125 0.32811 1.0000 + Si Si318 1.0 0.52083 0.31250 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0.27083 0.93750 0.32811 1.0000 + Si Si341 1.0 0.30208 0.96875 0.32811 1.0000 + Si Si342 1.0 0.33333 0.00000 0.32811 1.0000 + Si Si343 1.0 0.36458 0.03125 0.32811 1.0000 + Si Si344 1.0 0.39583 0.06250 0.32811 1.0000 + Si Si345 1.0 0.42708 0.09375 0.32811 1.0000 + Si Si346 1.0 0.45833 0.12500 0.32811 1.0000 + Si Si347 1.0 0.48958 0.15625 0.32811 1.0000 + Si Si348 1.0 0.52083 0.18750 0.32811 1.0000 + Si Si349 1.0 0.55208 0.21875 0.32811 1.0000 + Si Si350 1.0 0.58333 0.25000 0.32811 1.0000 + Si Si351 1.0 0.61458 0.28125 0.32811 1.0000 + Si Si352 1.0 0.64583 0.31250 0.32811 1.0000 + Si Si353 1.0 0.20833 0.81250 0.32811 1.0000 + Si Si354 1.0 0.23958 0.84375 0.32811 1.0000 + Si Si355 1.0 0.27083 0.87500 0.32811 1.0000 + Si Si356 1.0 0.30208 0.90625 0.32811 1.0000 + Si Si357 1.0 0.33333 0.93750 0.32811 1.0000 + Si Si358 1.0 0.36458 0.96875 0.32811 1.0000 + Si Si359 1.0 0.39583 0.00000 0.32811 1.0000 + Si Si360 1.0 0.42708 0.03125 0.32811 1.0000 + Si Si361 1.0 0.45833 0.06250 0.32811 1.0000 + Si Si362 1.0 0.48958 0.09375 0.32811 1.0000 + Si Si363 1.0 0.52083 0.12500 0.32811 1.0000 + Si Si364 1.0 0.55208 0.15625 0.32811 1.0000 + Si Si365 1.0 0.58333 0.18750 0.32811 1.0000 + Si Si366 1.0 0.61458 0.21875 0.32811 1.0000 + Si Si367 1.0 0.64583 0.25000 0.32811 1.0000 + Si Si368 1.0 0.67708 0.28125 0.32811 1.0000 + Si Si369 1.0 0.23958 0.78125 0.32811 1.0000 + Si Si370 1.0 0.27083 0.81250 0.32811 1.0000 + Si Si371 1.0 0.30208 0.84375 0.32811 1.0000 + Si Si372 1.0 0.33333 0.87500 0.32811 1.0000 + Si Si373 1.0 0.36458 0.90625 0.32811 1.0000 + Si Si374 1.0 0.39583 0.93750 0.32811 1.0000 + Si Si375 1.0 0.42708 0.96875 0.32811 1.0000 + Si Si376 1.0 0.45833 1.00000 0.32811 1.0000 + Si Si377 1.0 0.48958 0.03125 0.32811 1.0000 + Si Si378 1.0 0.52083 0.06250 0.32811 1.0000 + Si Si379 1.0 0.55208 0.09375 0.32811 1.0000 + Si Si380 1.0 0.58333 0.12500 0.32811 1.0000 + Si Si381 1.0 0.61458 0.15625 0.32811 1.0000 + Si Si382 1.0 0.64583 0.18750 0.32811 1.0000 + Si Si383 1.0 0.67708 0.21875 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0.42708 0.84375 0.32811 1.0000 + Si Si406 1.0 0.45833 0.87500 0.32811 1.0000 + Si Si407 1.0 0.48958 0.90625 0.32811 1.0000 + Si Si408 1.0 0.52083 0.93750 0.32811 1.0000 + Si Si409 1.0 0.55208 0.96875 0.32811 1.0000 + Si Si410 1.0 0.58333 0.00000 0.32811 1.0000 + Si Si411 1.0 0.61458 0.03125 0.32811 1.0000 + Si Si412 1.0 0.64583 0.06250 0.32811 1.0000 + Si Si413 1.0 0.67708 0.09375 0.32811 1.0000 + Si Si414 1.0 0.70833 0.12500 0.32811 1.0000 + Si Si415 1.0 0.73958 0.15625 0.32811 1.0000 + Si Si416 1.0 0.77083 0.18750 0.32811 1.0000 + Si Si417 1.0 0.33333 0.68750 0.32811 1.0000 + Si Si418 1.0 0.36458 0.71875 0.32811 1.0000 + Si Si419 1.0 0.39583 0.75000 0.32811 1.0000 + Si Si420 1.0 0.42708 0.78125 0.32811 1.0000 + Si Si421 1.0 0.45833 0.81250 0.32811 1.0000 + Si Si422 1.0 0.48958 0.84375 0.32811 1.0000 + Si Si423 1.0 0.52083 0.87500 0.32811 1.0000 + Si Si424 1.0 0.55208 0.90625 0.32811 1.0000 + Si Si425 1.0 0.58333 0.93750 0.32811 1.0000 + Si Si426 1.0 0.61458 0.96875 0.32811 1.0000 + Si Si427 1.0 0.64583 0.00000 0.32811 1.0000 + Si Si428 1.0 0.67708 0.03125 0.32811 1.0000 + Si Si429 1.0 0.70833 0.06250 0.32811 1.0000 + Si Si430 1.0 0.73958 0.09375 0.32811 1.0000 + Si Si431 1.0 0.77083 0.12500 0.32811 1.0000 + Si Si432 1.0 0.80208 0.15625 0.32811 1.0000 + Si Si433 1.0 0.36458 0.65625 0.32811 1.0000 + Si Si434 1.0 0.39583 0.68750 0.32811 1.0000 + Si Si435 1.0 0.42708 0.71875 0.32811 1.0000 + Si Si436 1.0 0.45833 0.75000 0.32811 1.0000 + Si Si437 1.0 0.48958 0.78125 0.32811 1.0000 + Si Si438 1.0 0.52083 0.81250 0.32811 1.0000 + Si Si439 1.0 0.55208 0.84375 0.32811 1.0000 + Si Si440 1.0 0.58333 0.87500 0.32811 1.0000 + Si Si441 1.0 0.61458 0.90625 0.32811 1.0000 + Si Si442 1.0 0.64583 0.93750 0.32811 1.0000 + Si Si443 1.0 0.67708 0.96875 0.32811 1.0000 + Si Si444 1.0 0.70833 1.00000 0.32811 1.0000 + Si Si445 1.0 0.73958 0.03125 0.32811 1.0000 + Si Si446 1.0 0.77083 0.06250 0.32811 1.0000 + Si Si447 1.0 0.80208 0.09375 0.32811 1.0000 + Si Si448 1.0 0.83333 0.12500 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0.58333 0.75000 0.32811 1.0000 + Si Si471 1.0 0.61458 0.78125 0.32811 1.0000 + Si Si472 1.0 0.64583 0.81250 0.32811 1.0000 + Si Si473 1.0 0.67708 0.84375 0.32811 1.0000 + Si Si474 1.0 0.70833 0.87500 0.32811 1.0000 + Si Si475 1.0 0.73958 0.90625 0.32811 1.0000 + Si Si476 1.0 0.77083 0.93750 0.32811 1.0000 + Si Si477 1.0 0.80208 0.96875 0.32811 1.0000 + Si Si478 1.0 0.83333 0.00000 0.32811 1.0000 + Si Si479 1.0 0.86458 0.03125 0.32811 1.0000 + Si Si480 1.0 0.89583 0.06250 0.32811 1.0000 + Si Si481 1.0 0.45833 0.56250 0.32811 1.0000 + Si Si482 1.0 0.48958 0.59375 0.32811 1.0000 + Si Si483 1.0 0.52083 0.62500 0.32811 1.0000 + Si Si484 1.0 0.55208 0.65625 0.32811 1.0000 + Si Si485 1.0 0.58333 0.68750 0.32811 1.0000 + Si Si486 1.0 0.61458 0.71875 0.32811 1.0000 + Si Si487 1.0 0.64583 0.75000 0.32811 1.0000 + Si Si488 1.0 0.67708 0.78125 0.32811 1.0000 + Si Si489 1.0 0.70833 0.81250 0.32811 1.0000 + Si Si490 1.0 0.73958 0.84375 0.32811 1.0000 + Si Si491 1.0 0.77083 0.87500 0.32811 1.0000 + Si Si492 1.0 0.80208 0.90625 0.32811 1.0000 + Si Si493 1.0 0.83333 0.93750 0.32811 1.0000 + Si Si494 1.0 0.86458 0.96875 0.32811 1.0000 + Si Si495 1.0 0.89583 0.00000 0.32811 1.0000 + Si Si496 1.0 0.92708 0.03125 0.32811 1.0000 + Si Si497 1.0 0.48958 0.53125 0.32811 1.0000 + Si Si498 1.0 0.52083 0.56250 0.32811 1.0000 + Si Si499 1.0 0.55208 0.59375 0.32811 1.0000 + Si Si500 1.0 0.58333 0.62500 0.32811 1.0000 + Si Si501 1.0 0.61458 0.65625 0.32811 1.0000 + Si Si502 1.0 0.64583 0.68750 0.32811 1.0000 + Si Si503 1.0 0.67708 0.71875 0.32811 1.0000 + Si Si504 1.0 0.70833 0.75000 0.32811 1.0000 + Si Si505 1.0 0.73958 0.78125 0.32811 1.0000 + Si Si506 1.0 0.77083 0.81250 0.32811 1.0000 + Si Si507 1.0 0.80208 0.84375 0.32811 1.0000 + Si Si508 1.0 0.83333 0.87500 0.32811 1.0000 + Si Si509 1.0 0.86458 0.90625 0.32811 1.0000 + Si Si510 1.0 0.89583 0.93750 0.32811 1.0000 + Si Si511 1.0 0.92708 0.96875 0.32811 1.0000 + Si Si512 1.0 0.95833 0.00000 0.32811 1.0000 + Si Si513 1.0 0.54167 0.50000 0.67189 1.0000 + Si Si514 1.0 0.57292 0.53125 0.67189 1.0000 + Si Si515 1.0 0.60417 0.56250 0.67189 1.0000 + Si Si516 1.0 0.63542 0.59375 0.67189 1.0000 + Si Si517 1.0 0.66667 0.62500 0.67189 1.0000 + Si Si518 1.0 0.69792 0.65625 0.67189 1.0000 + Si Si519 1.0 0.72917 0.68750 0.67189 1.0000 + Si Si520 1.0 0.76042 0.71875 0.67189 1.0000 + Si Si521 1.0 0.79167 0.75000 0.67189 1.0000 + Si Si522 1.0 0.82292 0.78125 0.67189 1.0000 + Si Si523 1.0 0.85417 0.81250 0.67189 1.0000 + Si Si524 1.0 0.88542 0.84375 0.67189 1.0000 + Si Si525 1.0 0.91667 0.87500 0.67189 1.0000 + Si Si526 1.0 0.94792 0.90625 0.67189 1.0000 + Si Si527 1.0 0.97917 0.93750 0.67189 1.0000 + Si Si528 1.0 0.01042 0.96875 0.67189 1.0000 + Si Si529 1.0 0.57292 0.46875 0.67189 1.0000 + Si Si530 1.0 0.60417 0.50000 0.67189 1.0000 + Si Si531 1.0 0.63542 0.53125 0.67189 1.0000 + Si Si532 1.0 0.66667 0.56250 0.67189 1.0000 + Si Si533 1.0 0.69792 0.59375 0.67189 1.0000 + Si Si534 1.0 0.72917 0.62500 0.67189 1.0000 + Si Si535 1.0 0.76042 0.65625 0.67189 1.0000 + Si Si536 1.0 0.79167 0.68750 0.67189 1.0000 + Si Si537 1.0 0.82292 0.71875 0.67189 1.0000 + Si Si538 1.0 0.85417 0.75000 0.67189 1.0000 + Si Si539 1.0 0.88542 0.78125 0.67189 1.0000 + Si Si540 1.0 0.91667 0.81250 0.67189 1.0000 + Si Si541 1.0 0.94792 0.84375 0.67189 1.0000 + Si Si542 1.0 0.97917 0.87500 0.67189 1.0000 + Si Si543 1.0 0.01042 0.90625 0.67189 1.0000 + Si Si544 1.0 0.04167 0.93750 0.67189 1.0000 + Si Si545 1.0 0.60417 0.43750 0.67189 1.0000 + Si Si546 1.0 0.63542 0.46875 0.67189 1.0000 + Si Si547 1.0 0.66667 0.50000 0.67189 1.0000 + Si Si548 1.0 0.69792 0.53125 0.67189 1.0000 + Si Si549 1.0 0.72917 0.56250 0.67189 1.0000 + Si Si550 1.0 0.76042 0.59375 0.67189 1.0000 + Si Si551 1.0 0.79167 0.62500 0.67189 1.0000 + Si Si552 1.0 0.82292 0.65625 0.67189 1.0000 + Si Si553 1.0 0.85417 0.68750 0.67189 1.0000 + Si Si554 1.0 0.88542 0.71875 0.67189 1.0000 + Si Si555 1.0 0.91667 0.75000 0.67189 1.0000 + Si Si556 1.0 0.94792 0.78125 0.67189 1.0000 + Si Si557 1.0 0.97917 0.81250 0.67189 1.0000 + Si Si558 1.0 0.01042 0.84375 0.67189 1.0000 + Si Si559 1.0 0.04167 0.87500 0.67189 1.0000 + Si Si560 1.0 0.07292 0.90625 0.67189 1.0000 + Si Si561 1.0 0.63542 0.40625 0.67189 1.0000 + Si Si562 1.0 0.66667 0.43750 0.67189 1.0000 + Si Si563 1.0 0.69792 0.46875 0.67189 1.0000 + Si Si564 1.0 0.72917 0.50000 0.67189 1.0000 + Si Si565 1.0 0.76042 0.53125 0.67189 1.0000 + Si Si566 1.0 0.79167 0.56250 0.67189 1.0000 + Si Si567 1.0 0.82292 0.59375 0.67189 1.0000 + Si Si568 1.0 0.85417 0.62500 0.67189 1.0000 + Si Si569 1.0 0.88542 0.65625 0.67189 1.0000 + Si Si570 1.0 0.91667 0.68750 0.67189 1.0000 + Si Si571 1.0 0.94792 0.71875 0.67189 1.0000 + Si Si572 1.0 0.97917 0.75000 0.67189 1.0000 + Si Si573 1.0 0.01042 0.78125 0.67189 1.0000 + Si Si574 1.0 0.04167 0.81250 0.67189 1.0000 + Si Si575 1.0 0.07292 0.84375 0.67189 1.0000 + Si Si576 1.0 0.10417 0.87500 0.67189 1.0000 + Si Si577 1.0 0.66667 0.37500 0.67189 1.0000 + Si Si578 1.0 0.69792 0.40625 0.67189 1.0000 + Si Si579 1.0 0.72917 0.43750 0.67189 1.0000 + Si Si580 1.0 0.76042 0.46875 0.67189 1.0000 + Si Si581 1.0 0.79167 0.50000 0.67189 1.0000 + Si Si582 1.0 0.82292 0.53125 0.67189 1.0000 + Si Si583 1.0 0.85417 0.56250 0.67189 1.0000 + Si Si584 1.0 0.88542 0.59375 0.67189 1.0000 + Si Si585 1.0 0.91667 0.62500 0.67189 1.0000 + Si Si586 1.0 0.94792 0.65625 0.67189 1.0000 + Si Si587 1.0 0.97917 0.68750 0.67189 1.0000 + Si Si588 1.0 0.01042 0.71875 0.67189 1.0000 + Si Si589 1.0 0.04167 0.75000 0.67189 1.0000 + Si Si590 1.0 0.07292 0.78125 0.67189 1.0000 + Si Si591 1.0 0.10417 0.81250 0.67189 1.0000 + Si Si592 1.0 0.13542 0.84375 0.67189 1.0000 + Si Si593 1.0 0.69792 0.34375 0.67189 1.0000 + Si Si594 1.0 0.72917 0.37500 0.67189 1.0000 + Si Si595 1.0 0.76042 0.40625 0.67189 1.0000 + Si Si596 1.0 0.79167 0.43750 0.67189 1.0000 + Si Si597 1.0 0.82292 0.46875 0.67189 1.0000 + Si Si598 1.0 0.85417 0.50000 0.67189 1.0000 + Si Si599 1.0 0.88542 0.53125 0.67189 1.0000 + Si Si600 1.0 0.91667 0.56250 0.67189 1.0000 + Si Si601 1.0 0.94792 0.59375 0.67189 1.0000 + Si Si602 1.0 0.97917 0.62500 0.67189 1.0000 + Si Si603 1.0 0.01042 0.65625 0.67189 1.0000 + Si Si604 1.0 0.04167 0.68750 0.67189 1.0000 + Si Si605 1.0 0.07292 0.71875 0.67189 1.0000 + Si Si606 1.0 0.10417 0.75000 0.67189 1.0000 + Si Si607 1.0 0.13542 0.78125 0.67189 1.0000 + Si Si608 1.0 0.16667 0.81250 0.67189 1.0000 + Si Si609 1.0 0.72917 0.31250 0.67189 1.0000 + Si Si610 1.0 0.76042 0.34375 0.67189 1.0000 + Si Si611 1.0 0.79167 0.37500 0.67189 1.0000 + Si Si612 1.0 0.82292 0.40625 0.67189 1.0000 + Si Si613 1.0 0.85417 0.43750 0.67189 1.0000 + Si Si614 1.0 0.88542 0.46875 0.67189 1.0000 + Si Si615 1.0 0.91667 0.50000 0.67189 1.0000 + Si Si616 1.0 0.94792 0.53125 0.67189 1.0000 + Si Si617 1.0 0.97917 0.56250 0.67189 1.0000 + Si Si618 1.0 0.01042 0.59375 0.67189 1.0000 + Si Si619 1.0 0.04167 0.62500 0.67189 1.0000 + Si Si620 1.0 0.07292 0.65625 0.67189 1.0000 + Si Si621 1.0 0.10417 0.68750 0.67189 1.0000 + Si Si622 1.0 0.13542 0.71875 0.67189 1.0000 + Si Si623 1.0 0.16667 0.75000 0.67189 1.0000 + Si Si624 1.0 0.19792 0.78125 0.67189 1.0000 + Si Si625 1.0 0.76042 0.28125 0.67189 1.0000 + Si Si626 1.0 0.79167 0.31250 0.67189 1.0000 + Si Si627 1.0 0.82292 0.34375 0.67189 1.0000 + Si Si628 1.0 0.85417 0.37500 0.67189 1.0000 + Si Si629 1.0 0.88542 0.40625 0.67189 1.0000 + Si Si630 1.0 0.91667 0.43750 0.67189 1.0000 + Si Si631 1.0 0.94792 0.46875 0.67189 1.0000 + Si Si632 1.0 0.97917 0.50000 0.67189 1.0000 + Si Si633 1.0 0.01042 0.53125 0.67189 1.0000 + Si Si634 1.0 0.04167 0.56250 0.67189 1.0000 + Si Si635 1.0 0.07292 0.59375 0.67189 1.0000 + Si Si636 1.0 0.10417 0.62500 0.67189 1.0000 + Si Si637 1.0 0.13542 0.65625 0.67189 1.0000 + Si Si638 1.0 0.16667 0.68750 0.67189 1.0000 + Si Si639 1.0 0.19792 0.71875 0.67189 1.0000 + Si Si640 1.0 0.22917 0.75000 0.67189 1.0000 + Si Si641 1.0 0.79167 0.25000 0.67189 1.0000 + Si Si642 1.0 0.82292 0.28125 0.67189 1.0000 + Si Si643 1.0 0.85417 0.31250 0.67189 1.0000 + Si Si644 1.0 0.88542 0.34375 0.67189 1.0000 + Si Si645 1.0 0.91667 0.37500 0.67189 1.0000 + Si Si646 1.0 0.94792 0.40625 0.67189 1.0000 + Si Si647 1.0 0.97917 0.43750 0.67189 1.0000 + Si Si648 1.0 0.01042 0.46875 0.67189 1.0000 + Si Si649 1.0 0.04167 0.50000 0.67189 1.0000 + Si Si650 1.0 0.07292 0.53125 0.67189 1.0000 + Si Si651 1.0 0.10417 0.56250 0.67189 1.0000 + Si Si652 1.0 0.13542 0.59375 0.67189 1.0000 + Si Si653 1.0 0.16667 0.62500 0.67189 1.0000 + Si Si654 1.0 0.19792 0.65625 0.67189 1.0000 + Si Si655 1.0 0.22917 0.68750 0.67189 1.0000 + Si Si656 1.0 0.26042 0.71875 0.67189 1.0000 + Si Si657 1.0 0.82292 0.21875 0.67189 1.0000 + Si Si658 1.0 0.85417 0.25000 0.67189 1.0000 + Si Si659 1.0 0.88542 0.28125 0.67189 1.0000 + Si Si660 1.0 0.91667 0.31250 0.67189 1.0000 + Si Si661 1.0 0.94792 0.34375 0.67189 1.0000 + Si Si662 1.0 0.97917 0.37500 0.67189 1.0000 + Si Si663 1.0 0.01042 0.40625 0.67189 1.0000 + Si Si664 1.0 0.04167 0.43750 0.67189 1.0000 + Si Si665 1.0 0.07292 0.46875 0.67189 1.0000 + Si Si666 1.0 0.10417 0.50000 0.67189 1.0000 + Si Si667 1.0 0.13542 0.53125 0.67189 1.0000 + Si Si668 1.0 0.16667 0.56250 0.67189 1.0000 + Si Si669 1.0 0.19792 0.59375 0.67189 1.0000 + Si Si670 1.0 0.22917 0.62500 0.67189 1.0000 + Si Si671 1.0 0.26042 0.65625 0.67189 1.0000 + Si Si672 1.0 0.29167 0.68750 0.67189 1.0000 + Si Si673 1.0 0.85417 0.18750 0.67189 1.0000 + Si Si674 1.0 0.88542 0.21875 0.67189 1.0000 + Si Si675 1.0 0.91667 0.25000 0.67189 1.0000 + Si Si676 1.0 0.94792 0.28125 0.67189 1.0000 + Si Si677 1.0 0.97917 0.31250 0.67189 1.0000 + Si Si678 1.0 0.01042 0.34375 0.67189 1.0000 + Si Si679 1.0 0.04167 0.37500 0.67189 1.0000 + Si Si680 1.0 0.07292 0.40625 0.67189 1.0000 + Si Si681 1.0 0.10417 0.43750 0.67189 1.0000 + Si Si682 1.0 0.13542 0.46875 0.67189 1.0000 + Si Si683 1.0 0.16667 0.50000 0.67189 1.0000 + Si Si684 1.0 0.19792 0.53125 0.67189 1.0000 + Si Si685 1.0 0.22917 0.56250 0.67189 1.0000 + Si Si686 1.0 0.26042 0.59375 0.67189 1.0000 + Si Si687 1.0 0.29167 0.62500 0.67189 1.0000 + Si Si688 1.0 0.32292 0.65625 0.67189 1.0000 + Si Si689 1.0 0.88542 0.15625 0.67189 1.0000 + Si Si690 1.0 0.91667 0.18750 0.67189 1.0000 + Si Si691 1.0 0.94792 0.21875 0.67189 1.0000 + Si Si692 1.0 0.97917 0.25000 0.67189 1.0000 + Si Si693 1.0 0.01042 0.28125 0.67189 1.0000 + Si Si694 1.0 0.04167 0.31250 0.67189 1.0000 + Si Si695 1.0 0.07292 0.34375 0.67189 1.0000 + Si Si696 1.0 0.10417 0.37500 0.67189 1.0000 + Si Si697 1.0 0.13542 0.40625 0.67189 1.0000 + Si Si698 1.0 0.16667 0.43750 0.67189 1.0000 + Si Si699 1.0 0.19792 0.46875 0.67189 1.0000 + Si Si700 1.0 0.22917 0.50000 0.67189 1.0000 + Si Si701 1.0 0.26042 0.53125 0.67189 1.0000 + Si Si702 1.0 0.29167 0.56250 0.67189 1.0000 + Si Si703 1.0 0.32292 0.59375 0.67189 1.0000 + Si Si704 1.0 0.35417 0.62500 0.67189 1.0000 + Si Si705 1.0 0.91667 0.12500 0.67189 1.0000 + Si Si706 1.0 0.94792 0.15625 0.67189 1.0000 + Si Si707 1.0 0.97917 0.18750 0.67189 1.0000 + Si Si708 1.0 0.01042 0.21875 0.67189 1.0000 + Si Si709 1.0 0.04167 0.25000 0.67189 1.0000 + Si Si710 1.0 0.07292 0.28125 0.67189 1.0000 + Si Si711 1.0 0.10417 0.31250 0.67189 1.0000 + Si Si712 1.0 0.13542 0.34375 0.67189 1.0000 + Si Si713 1.0 0.16667 0.37500 0.67189 1.0000 + Si Si714 1.0 0.19792 0.40625 0.67189 1.0000 + Si Si715 1.0 0.22917 0.43750 0.67189 1.0000 + Si Si716 1.0 0.26042 0.46875 0.67189 1.0000 + Si Si717 1.0 0.29167 0.50000 0.67189 1.0000 + Si Si718 1.0 0.32292 0.53125 0.67189 1.0000 + Si Si719 1.0 0.35417 0.56250 0.67189 1.0000 + Si Si720 1.0 0.38542 0.59375 0.67189 1.0000 + Si Si721 1.0 0.94792 0.09375 0.67189 1.0000 + Si Si722 1.0 0.97917 0.12500 0.67189 1.0000 + Si Si723 1.0 0.01042 0.15625 0.67189 1.0000 + Si Si724 1.0 0.04167 0.18750 0.67189 1.0000 + Si Si725 1.0 0.07292 0.21875 0.67189 1.0000 + Si Si726 1.0 0.10417 0.25000 0.67189 1.0000 + Si Si727 1.0 0.13542 0.28125 0.67189 1.0000 + Si Si728 1.0 0.16667 0.31250 0.67189 1.0000 + Si Si729 1.0 0.19792 0.34375 0.67189 1.0000 + Si Si730 1.0 0.22917 0.37500 0.67189 1.0000 + Si Si731 1.0 0.26042 0.40625 0.67189 1.0000 + Si Si732 1.0 0.29167 0.43750 0.67189 1.0000 + Si Si733 1.0 0.32292 0.46875 0.67189 1.0000 + Si Si734 1.0 0.35417 0.50000 0.67189 1.0000 + Si Si735 1.0 0.38542 0.53125 0.67189 1.0000 + Si Si736 1.0 0.41667 0.56250 0.67189 1.0000 + Si Si737 1.0 0.97917 0.06250 0.67189 1.0000 + Si Si738 1.0 0.01042 0.09375 0.67189 1.0000 + Si Si739 1.0 0.04167 0.12500 0.67189 1.0000 + Si Si740 1.0 0.07292 0.15625 0.67189 1.0000 + Si Si741 1.0 0.10417 0.18750 0.67189 1.0000 + Si Si742 1.0 0.13542 0.21875 0.67189 1.0000 + Si Si743 1.0 0.16667 0.25000 0.67189 1.0000 + Si Si744 1.0 0.19792 0.28125 0.67189 1.0000 + Si Si745 1.0 0.22917 0.31250 0.67189 1.0000 + Si Si746 1.0 0.26042 0.34375 0.67189 1.0000 + Si Si747 1.0 0.29167 0.37500 0.67189 1.0000 + Si Si748 1.0 0.32292 0.40625 0.67189 1.0000 + Si Si749 1.0 0.35417 0.43750 0.67189 1.0000 + Si Si750 1.0 0.38542 0.46875 0.67189 1.0000 + Si Si751 1.0 0.41667 0.50000 0.67189 1.0000 + Si Si752 1.0 0.44792 0.53125 0.67189 1.0000 + Si Si753 1.0 0.01042 0.03125 0.67189 1.0000 + Si Si754 1.0 0.04167 0.06250 0.67189 1.0000 + Si Si755 1.0 0.07292 0.09375 0.67189 1.0000 + Si Si756 1.0 0.10417 0.12500 0.67189 1.0000 + Si Si757 1.0 0.13542 0.15625 0.67189 1.0000 + Si Si758 1.0 0.16667 0.18750 0.67189 1.0000 + Si Si759 1.0 0.19792 0.21875 0.67189 1.0000 + Si Si760 1.0 0.22917 0.25000 0.67189 1.0000 + Si Si761 1.0 0.26042 0.28125 0.67189 1.0000 + Si Si762 1.0 0.29167 0.31250 0.67189 1.0000 + Si Si763 1.0 0.32292 0.34375 0.67189 1.0000 + Si Si764 1.0 0.35417 0.37500 0.67189 1.0000 + Si Si765 1.0 0.38542 0.40625 0.67189 1.0000 + Si Si766 1.0 0.41667 0.43750 0.67189 1.0000 + Si Si767 1.0 0.44792 0.46875 0.67189 1.0000 + Si Si768 1.0 0.47917 0.50000 0.67189 1.0000 + Si Si769 1.0 0.52083 0.50000 0.32811 1.0000 + Si Si770 1.0 0.55208 0.53125 0.32811 1.0000 + Si Si771 1.0 0.58333 0.56250 0.32811 1.0000 + Si Si772 1.0 0.61458 0.59375 0.32811 1.0000 + Si Si773 1.0 0.64583 0.62500 0.32811 1.0000 + Si Si774 1.0 0.67708 0.65625 0.32811 1.0000 + Si Si775 1.0 0.70833 0.68750 0.32811 1.0000 + Si Si776 1.0 0.73958 0.71875 0.32811 1.0000 + Si Si777 1.0 0.77083 0.75000 0.32811 1.0000 + Si Si778 1.0 0.80208 0.78125 0.32811 1.0000 + Si Si779 1.0 0.83333 0.81250 0.32811 1.0000 + Si Si780 1.0 0.86458 0.84375 0.32811 1.0000 + Si Si781 1.0 0.89583 0.87500 0.32811 1.0000 + Si Si782 1.0 0.92708 0.90625 0.32811 1.0000 + Si Si783 1.0 0.95833 0.93750 0.32811 1.0000 + Si Si784 1.0 0.98958 0.96875 0.32811 1.0000 + Si Si785 1.0 0.55208 0.46875 0.32811 1.0000 + Si Si786 1.0 0.58333 0.50000 0.32811 1.0000 + Si Si787 1.0 0.61458 0.53125 0.32811 1.0000 + Si Si788 1.0 0.64583 0.56250 0.32811 1.0000 + Si Si789 1.0 0.67708 0.59375 0.32811 1.0000 + Si Si790 1.0 0.70833 0.62500 0.32811 1.0000 + Si Si791 1.0 0.73958 0.65625 0.32811 1.0000 + Si Si792 1.0 0.77083 0.68750 0.32811 1.0000 + Si Si793 1.0 0.80208 0.71875 0.32811 1.0000 + Si Si794 1.0 0.83333 0.75000 0.32811 1.0000 + Si Si795 1.0 0.86458 0.78125 0.32811 1.0000 + Si Si796 1.0 0.89583 0.81250 0.32811 1.0000 + Si Si797 1.0 0.92708 0.84375 0.32811 1.0000 + Si Si798 1.0 0.95833 0.87500 0.32811 1.0000 + Si Si799 1.0 0.98958 0.90625 0.32811 1.0000 + Si Si800 1.0 0.02083 0.93750 0.32811 1.0000 + Si Si801 1.0 0.58333 0.43750 0.32811 1.0000 + Si Si802 1.0 0.61458 0.46875 0.32811 1.0000 + Si Si803 1.0 0.64583 0.50000 0.32811 1.0000 + Si Si804 1.0 0.67708 0.53125 0.32811 1.0000 + Si Si805 1.0 0.70833 0.56250 0.32811 1.0000 + Si Si806 1.0 0.73958 0.59375 0.32811 1.0000 + Si Si807 1.0 0.77083 0.62500 0.32811 1.0000 + Si Si808 1.0 0.80208 0.65625 0.32811 1.0000 + Si Si809 1.0 0.83333 0.68750 0.32811 1.0000 + Si Si810 1.0 0.86458 0.71875 0.32811 1.0000 + Si Si811 1.0 0.89583 0.75000 0.32811 1.0000 + Si Si812 1.0 0.92708 0.78125 0.32811 1.0000 + Si Si813 1.0 0.95833 0.81250 0.32811 1.0000 + Si Si814 1.0 0.98958 0.84375 0.32811 1.0000 + Si Si815 1.0 0.02083 0.87500 0.32811 1.0000 + Si Si816 1.0 0.05208 0.90625 0.32811 1.0000 + Si Si817 1.0 0.61458 0.40625 0.32811 1.0000 + Si Si818 1.0 0.64583 0.43750 0.32811 1.0000 + Si Si819 1.0 0.67708 0.46875 0.32811 1.0000 + Si Si820 1.0 0.70833 0.50000 0.32811 1.0000 + Si Si821 1.0 0.73958 0.53125 0.32811 1.0000 + Si Si822 1.0 0.77083 0.56250 0.32811 1.0000 + Si Si823 1.0 0.80208 0.59375 0.32811 1.0000 + Si Si824 1.0 0.83333 0.62500 0.32811 1.0000 + Si Si825 1.0 0.86458 0.65625 0.32811 1.0000 + Si Si826 1.0 0.89583 0.68750 0.32811 1.0000 + Si Si827 1.0 0.92708 0.71875 0.32811 1.0000 + Si Si828 1.0 0.95833 0.75000 0.32811 1.0000 + Si Si829 1.0 0.98958 0.78125 0.32811 1.0000 + Si Si830 1.0 0.02083 0.81250 0.32811 1.0000 + Si Si831 1.0 0.05208 0.84375 0.32811 1.0000 + Si Si832 1.0 0.08333 0.87500 0.32811 1.0000 + Si Si833 1.0 0.64583 0.37500 0.32811 1.0000 + Si Si834 1.0 0.67708 0.40625 0.32811 1.0000 + Si Si835 1.0 0.70833 0.43750 0.32811 1.0000 + Si Si836 1.0 0.73958 0.46875 0.32811 1.0000 + Si Si837 1.0 0.77083 0.50000 0.32811 1.0000 + Si Si838 1.0 0.80208 0.53125 0.32811 1.0000 + Si Si839 1.0 0.83333 0.56250 0.32811 1.0000 + Si Si840 1.0 0.86458 0.59375 0.32811 1.0000 + Si Si841 1.0 0.89583 0.62500 0.32811 1.0000 + Si Si842 1.0 0.92708 0.65625 0.32811 1.0000 + Si Si843 1.0 0.95833 0.68750 0.32811 1.0000 + Si Si844 1.0 0.98958 0.71875 0.32811 1.0000 + Si Si845 1.0 0.02083 0.75000 0.32811 1.0000 + Si Si846 1.0 0.05208 0.78125 0.32811 1.0000 + Si Si847 1.0 0.08333 0.81250 0.32811 1.0000 + Si Si848 1.0 0.11458 0.84375 0.32811 1.0000 + Si Si849 1.0 0.67708 0.34375 0.32811 1.0000 + Si Si850 1.0 0.70833 0.37500 0.32811 1.0000 + Si Si851 1.0 0.73958 0.40625 0.32811 1.0000 + Si Si852 1.0 0.77083 0.43750 0.32811 1.0000 + Si Si853 1.0 0.80208 0.46875 0.32811 1.0000 + Si Si854 1.0 0.83333 0.50000 0.32811 1.0000 + Si Si855 1.0 0.86458 0.53125 0.32811 1.0000 + Si Si856 1.0 0.89583 0.56250 0.32811 1.0000 + Si Si857 1.0 0.92708 0.59375 0.32811 1.0000 + Si Si858 1.0 0.95833 0.62500 0.32811 1.0000 + Si Si859 1.0 0.98958 0.65625 0.32811 1.0000 + Si Si860 1.0 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Si Si882 1.0 0.77083 0.31250 0.32811 1.0000 + Si Si883 1.0 0.80208 0.34375 0.32811 1.0000 + Si Si884 1.0 0.83333 0.37500 0.32811 1.0000 + Si Si885 1.0 0.86458 0.40625 0.32811 1.0000 + Si Si886 1.0 0.89583 0.43750 0.32811 1.0000 + Si Si887 1.0 0.92708 0.46875 0.32811 1.0000 + Si Si888 1.0 0.95833 0.50000 0.32811 1.0000 + Si Si889 1.0 0.98958 0.53125 0.32811 1.0000 + Si Si890 1.0 0.02083 0.56250 0.32811 1.0000 + Si Si891 1.0 0.05208 0.59375 0.32811 1.0000 + Si Si892 1.0 0.08333 0.62500 0.32811 1.0000 + Si Si893 1.0 0.11458 0.65625 0.32811 1.0000 + Si Si894 1.0 0.14583 0.68750 0.32811 1.0000 + Si Si895 1.0 0.17708 0.71875 0.32811 1.0000 + Si Si896 1.0 0.20833 0.75000 0.32811 1.0000 + Si Si897 1.0 0.77083 0.25000 0.32811 1.0000 + Si Si898 1.0 0.80208 0.28125 0.32811 1.0000 + Si Si899 1.0 0.83333 0.31250 0.32811 1.0000 + Si Si900 1.0 0.86458 0.34375 0.32811 1.0000 + Si Si901 1.0 0.89583 0.37500 0.32811 1.0000 + Si Si902 1.0 0.92708 0.40625 0.32811 1.0000 + Si Si903 1.0 0.95833 0.43750 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Si Si947 1.0 0.92708 0.21875 0.32811 1.0000 + Si Si948 1.0 0.95833 0.25000 0.32811 1.0000 + Si Si949 1.0 0.98958 0.28125 0.32811 1.0000 + Si Si950 1.0 0.02083 0.31250 0.32811 1.0000 + Si Si951 1.0 0.05208 0.34375 0.32811 1.0000 + Si Si952 1.0 0.08333 0.37500 0.32811 1.0000 + Si Si953 1.0 0.11458 0.40625 0.32811 1.0000 + Si Si954 1.0 0.14583 0.43750 0.32811 1.0000 + Si Si955 1.0 0.17708 0.46875 0.32811 1.0000 + Si Si956 1.0 0.20833 0.50000 0.32811 1.0000 + Si Si957 1.0 0.23958 0.53125 0.32811 1.0000 + Si Si958 1.0 0.27083 0.56250 0.32811 1.0000 + Si Si959 1.0 0.30208 0.59375 0.32811 1.0000 + Si Si960 1.0 0.33333 0.62500 0.32811 1.0000 + Si Si961 1.0 0.89583 0.12500 0.32811 1.0000 + Si Si962 1.0 0.92708 0.15625 0.32811 1.0000 + Si Si963 1.0 0.95833 0.18750 0.32811 1.0000 + Si Si964 1.0 0.98958 0.21875 0.32811 1.0000 + Si Si965 1.0 0.02083 0.25000 0.32811 1.0000 + Si Si966 1.0 0.05208 0.28125 0.32811 1.0000 + Si Si967 1.0 0.08333 0.31250 0.32811 1.0000 + Si Si968 1.0 0.11458 0.34375 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0.50000 1.0000 + S S446 1.0 0.71884 0.85937 0.50000 1.0000 + S S447 1.0 0.71884 0.92187 0.50000 1.0000 + S S448 1.0 0.71884 0.98437 0.50000 1.0000 + S S449 1.0 0.78134 0.04687 0.50000 1.0000 + S S450 1.0 0.78134 0.10937 0.50000 1.0000 + S S451 1.0 0.78134 0.17187 0.50000 1.0000 + S S452 1.0 0.78134 0.23437 0.50000 1.0000 + S S453 1.0 0.78134 0.29687 0.50000 1.0000 + S S454 1.0 0.78134 0.35937 0.50000 1.0000 + S S455 1.0 0.78134 0.42187 0.50000 1.0000 + S S456 1.0 0.78134 0.48437 0.50000 1.0000 + S S457 1.0 0.78134 0.54687 0.50000 1.0000 + S S458 1.0 0.78134 0.60937 0.50000 1.0000 + S S459 1.0 0.78134 0.67187 0.50000 1.0000 + S S460 1.0 0.78134 0.73437 0.50000 1.0000 + S S461 1.0 0.78134 0.79687 0.50000 1.0000 + S S462 1.0 0.78134 0.85937 0.50000 1.0000 + S S463 1.0 0.78134 0.92187 0.50000 1.0000 + S S464 1.0 0.78134 0.98437 0.50000 1.0000 + S S465 1.0 0.84384 0.04687 0.50000 1.0000 + S S466 1.0 0.84384 0.10937 0.50000 1.0000 + S S467 1.0 0.84384 0.17187 0.50000 1.0000 + S S468 1.0 0.84384 0.23437 0.50000 1.0000 + S S469 1.0 0.84384 0.29687 0.50000 1.0000 + S S470 1.0 0.84384 0.35937 0.50000 1.0000 + S S471 1.0 0.84384 0.42187 0.50000 1.0000 + S S472 1.0 0.84384 0.48437 0.50000 1.0000 + S S473 1.0 0.84384 0.54687 0.50000 1.0000 + S S474 1.0 0.84384 0.60937 0.50000 1.0000 + S S475 1.0 0.84384 0.67187 0.50000 1.0000 + S S476 1.0 0.84384 0.73437 0.50000 1.0000 + S S477 1.0 0.84384 0.79687 0.50000 1.0000 + S S478 1.0 0.84384 0.85937 0.50000 1.0000 + S S479 1.0 0.84384 0.92187 0.50000 1.0000 + S S480 1.0 0.84384 0.98437 0.50000 1.0000 + S S481 1.0 0.90634 0.04687 0.50000 1.0000 + S S482 1.0 0.90634 0.10937 0.50000 1.0000 + S S483 1.0 0.90634 0.17187 0.50000 1.0000 + S S484 1.0 0.90634 0.23437 0.50000 1.0000 + S S485 1.0 0.90634 0.29687 0.50000 1.0000 + S S486 1.0 0.90634 0.35937 0.50000 1.0000 + S S487 1.0 0.90634 0.42187 0.50000 1.0000 + S S488 1.0 0.90634 0.48437 0.50000 1.0000 + S S489 1.0 0.90634 0.54687 0.50000 1.0000 + S S490 1.0 0.90634 0.60937 0.50000 1.0000 + S S491 1.0 0.90634 0.67187 0.50000 1.0000 + S S492 1.0 0.90634 0.73437 0.50000 1.0000 + S S493 1.0 0.90634 0.79687 0.50000 1.0000 + S S494 1.0 0.90634 0.85937 0.50000 1.0000 + S S495 1.0 0.90634 0.92187 0.50000 1.0000 + S S496 1.0 0.90634 0.98437 0.50000 1.0000 + S S497 1.0 0.96884 0.04687 0.50000 1.0000 + S S498 1.0 0.96884 0.10937 0.50000 1.0000 + S S499 1.0 0.96884 0.17187 0.50000 1.0000 + S S500 1.0 0.96884 0.23437 0.50000 1.0000 + S S501 1.0 0.96884 0.29687 0.50000 1.0000 + S S502 1.0 0.96884 0.35937 0.50000 1.0000 + S S503 1.0 0.96884 0.42187 0.50000 1.0000 + S S504 1.0 0.96884 0.48437 0.50000 1.0000 + S S505 1.0 0.96884 0.54687 0.50000 1.0000 + S S506 1.0 0.96884 0.60937 0.50000 1.0000 + S S507 1.0 0.96884 0.67187 0.50000 1.0000 + S S508 1.0 0.96884 0.73437 0.50000 1.0000 + S S509 1.0 0.96884 0.79687 0.50000 1.0000 + S S510 1.0 0.96884 0.85937 0.50000 1.0000 + S S511 1.0 0.96884 0.92187 0.50000 1.0000 + S S512 1.0 0.96884 0.98437 0.50000 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5976_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5976_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..6644efe43e93486a2678067ad97563d15f6b1e5d --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5976_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural Pt1024 +_chemical_formula_sum "Pt1024" +_cell_length_a 43.1001 +_cell_length_b 74.6535 +_cell_length_c 6.42934 +_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 0.04688 0.03650 0.31168 1.0000 + Pt Pt2 1.0 0.04688 0.09900 0.31168 1.0000 + Pt Pt3 1.0 0.04688 0.16150 0.31168 1.0000 + Pt Pt4 1.0 0.04688 0.22400 0.31168 1.0000 + Pt Pt5 1.0 0.04688 0.28650 0.31168 1.0000 + Pt Pt6 1.0 0.04688 0.34900 0.31168 1.0000 + Pt Pt7 1.0 0.04688 0.41150 0.31168 1.0000 + Pt Pt8 1.0 0.04688 0.47400 0.31168 1.0000 + Pt Pt9 1.0 0.04688 0.53650 0.31168 1.0000 + Pt Pt10 1.0 0.04688 0.59900 0.31168 1.0000 + Pt Pt11 1.0 0.04688 0.66150 0.31168 1.0000 + Pt Pt12 1.0 0.04688 0.72400 0.31168 1.0000 + Pt Pt13 1.0 0.04688 0.78650 0.31168 1.0000 + Pt Pt14 1.0 0.04688 0.84900 0.31168 1.0000 + Pt Pt15 1.0 0.04688 0.91150 0.31168 1.0000 + Pt Pt16 1.0 0.04688 0.97400 0.31168 1.0000 + Pt Pt17 1.0 0.10938 0.03650 0.31168 1.0000 + Pt Pt18 1.0 0.10938 0.09900 0.31168 1.0000 + Pt Pt19 1.0 0.10938 0.16150 0.31168 1.0000 + Pt Pt20 1.0 0.10938 0.22400 0.31168 1.0000 + Pt Pt21 1.0 0.10938 0.28650 0.31168 1.0000 + Pt Pt22 1.0 0.10938 0.34900 0.31168 1.0000 + Pt Pt23 1.0 0.10938 0.41150 0.31168 1.0000 + Pt Pt24 1.0 0.10938 0.47400 0.31168 1.0000 + Pt Pt25 1.0 0.10938 0.53650 0.31168 1.0000 + Pt Pt26 1.0 0.10938 0.59900 0.31168 1.0000 + Pt Pt27 1.0 0.10938 0.66150 0.31168 1.0000 + Pt Pt28 1.0 0.10938 0.72400 0.31168 1.0000 + Pt Pt29 1.0 0.10938 0.78650 0.31168 1.0000 + Pt Pt30 1.0 0.10938 0.84900 0.31168 1.0000 + Pt Pt31 1.0 0.10938 0.91150 0.31168 1.0000 + Pt Pt32 1.0 0.10938 0.97400 0.31168 1.0000 + Pt Pt33 1.0 0.17188 0.03650 0.31168 1.0000 + Pt Pt34 1.0 0.17188 0.09900 0.31168 1.0000 + Pt Pt35 1.0 0.17188 0.16150 0.31168 1.0000 + Pt Pt36 1.0 0.17188 0.22400 0.31168 1.0000 + Pt Pt37 1.0 0.17188 0.28650 0.31168 1.0000 + Pt Pt38 1.0 0.17188 0.34900 0.31168 1.0000 + Pt Pt39 1.0 0.17188 0.41150 0.31168 1.0000 + Pt Pt40 1.0 0.17188 0.47400 0.31168 1.0000 + Pt Pt41 1.0 0.17188 0.53650 0.31168 1.0000 + Pt Pt42 1.0 0.17188 0.59900 0.31168 1.0000 + Pt Pt43 1.0 0.17188 0.66150 0.31168 1.0000 + Pt Pt44 1.0 0.17188 0.72400 0.31168 1.0000 + Pt Pt45 1.0 0.17188 0.78650 0.31168 1.0000 + Pt Pt46 1.0 0.17188 0.84900 0.31168 1.0000 + Pt Pt47 1.0 0.17188 0.91150 0.31168 1.0000 + Pt Pt48 1.0 0.17188 0.97400 0.31168 1.0000 + Pt Pt49 1.0 0.23438 0.03650 0.31168 1.0000 + Pt Pt50 1.0 0.23438 0.09900 0.31168 1.0000 + Pt Pt51 1.0 0.23438 0.16150 0.31168 1.0000 + Pt Pt52 1.0 0.23438 0.22400 0.31168 1.0000 + Pt Pt53 1.0 0.23438 0.28650 0.31168 1.0000 + Pt Pt54 1.0 0.23438 0.34900 0.31168 1.0000 + Pt Pt55 1.0 0.23438 0.41150 0.31168 1.0000 + Pt Pt56 1.0 0.23438 0.47400 0.31168 1.0000 + Pt Pt57 1.0 0.23438 0.53650 0.31168 1.0000 + Pt Pt58 1.0 0.23438 0.59900 0.31168 1.0000 + Pt Pt59 1.0 0.23438 0.66150 0.31168 1.0000 + Pt Pt60 1.0 0.23438 0.72400 0.31168 1.0000 + Pt Pt61 1.0 0.23438 0.78650 0.31168 1.0000 + Pt Pt62 1.0 0.23438 0.84900 0.31168 1.0000 + Pt Pt63 1.0 0.23438 0.91150 0.31168 1.0000 + Pt Pt64 1.0 0.23438 0.97400 0.31168 1.0000 + Pt Pt65 1.0 0.29688 0.03650 0.31168 1.0000 + Pt Pt66 1.0 0.29688 0.09900 0.31168 1.0000 + Pt Pt67 1.0 0.29688 0.16150 0.31168 1.0000 + Pt Pt68 1.0 0.29688 0.22400 0.31168 1.0000 + Pt Pt69 1.0 0.29688 0.28650 0.31168 1.0000 + Pt Pt70 1.0 0.29688 0.34900 0.31168 1.0000 + Pt Pt71 1.0 0.29688 0.41150 0.31168 1.0000 + Pt Pt72 1.0 0.29688 0.47400 0.31168 1.0000 + Pt Pt73 1.0 0.29688 0.53650 0.31168 1.0000 + Pt Pt74 1.0 0.29688 0.59900 0.31168 1.0000 + Pt Pt75 1.0 0.29688 0.66150 0.31168 1.0000 + Pt Pt76 1.0 0.29688 0.72400 0.31168 1.0000 + Pt Pt77 1.0 0.29688 0.78650 0.31168 1.0000 + Pt Pt78 1.0 0.29688 0.84900 0.31168 1.0000 + Pt Pt79 1.0 0.29688 0.91150 0.31168 1.0000 + Pt Pt80 1.0 0.29688 0.97400 0.31168 1.0000 + Pt Pt81 1.0 0.35938 0.03650 0.31168 1.0000 + Pt Pt82 1.0 0.35938 0.09900 0.31168 1.0000 + Pt Pt83 1.0 0.35938 0.16150 0.31168 1.0000 + Pt Pt84 1.0 0.35938 0.22400 0.31168 1.0000 + Pt Pt85 1.0 0.35938 0.28650 0.31168 1.0000 + Pt Pt86 1.0 0.35938 0.34900 0.31168 1.0000 + Pt Pt87 1.0 0.35938 0.41150 0.31168 1.0000 + Pt Pt88 1.0 0.35938 0.47400 0.31168 1.0000 + Pt Pt89 1.0 0.35938 0.53650 0.31168 1.0000 + Pt Pt90 1.0 0.35938 0.59900 0.31168 1.0000 + Pt Pt91 1.0 0.35938 0.66150 0.31168 1.0000 + Pt Pt92 1.0 0.35938 0.72400 0.31168 1.0000 + Pt Pt93 1.0 0.35938 0.78650 0.31168 1.0000 + Pt Pt94 1.0 0.35938 0.84900 0.31168 1.0000 + Pt Pt95 1.0 0.35938 0.91150 0.31168 1.0000 + Pt Pt96 1.0 0.35938 0.97400 0.31168 1.0000 + Pt Pt97 1.0 0.42188 0.03650 0.31168 1.0000 + Pt Pt98 1.0 0.42188 0.09900 0.31168 1.0000 + Pt Pt99 1.0 0.42188 0.16150 0.31168 1.0000 + Pt Pt100 1.0 0.42188 0.22400 0.31168 1.0000 + Pt Pt101 1.0 0.42188 0.28650 0.31168 1.0000 + Pt Pt102 1.0 0.42188 0.34900 0.31168 1.0000 + Pt Pt103 1.0 0.42188 0.41150 0.31168 1.0000 + Pt Pt104 1.0 0.42188 0.47400 0.31168 1.0000 + Pt Pt105 1.0 0.42188 0.53650 0.31168 1.0000 + Pt Pt106 1.0 0.42188 0.59900 0.31168 1.0000 + Pt Pt107 1.0 0.42188 0.66150 0.31168 1.0000 + Pt Pt108 1.0 0.42188 0.72400 0.31168 1.0000 + Pt Pt109 1.0 0.42188 0.78650 0.31168 1.0000 + Pt Pt110 1.0 0.42188 0.84900 0.31168 1.0000 + Pt Pt111 1.0 0.42188 0.91150 0.31168 1.0000 + Pt Pt112 1.0 0.42188 0.97400 0.31168 1.0000 + Pt Pt113 1.0 0.48438 0.03650 0.31168 1.0000 + Pt Pt114 1.0 0.48438 0.09900 0.31168 1.0000 + Pt Pt115 1.0 0.48438 0.16150 0.31168 1.0000 + Pt Pt116 1.0 0.48438 0.22400 0.31168 1.0000 + Pt Pt117 1.0 0.48438 0.28650 0.31168 1.0000 + Pt Pt118 1.0 0.48438 0.34900 0.31168 1.0000 + Pt Pt119 1.0 0.48438 0.41150 0.31168 1.0000 + Pt Pt120 1.0 0.48438 0.47400 0.31168 1.0000 + Pt Pt121 1.0 0.48438 0.53650 0.31168 1.0000 + Pt Pt122 1.0 0.48438 0.59900 0.31168 1.0000 + Pt Pt123 1.0 0.48438 0.66150 0.31168 1.0000 + Pt Pt124 1.0 0.48438 0.72400 0.31168 1.0000 + Pt Pt125 1.0 0.48438 0.78650 0.31168 1.0000 + Pt Pt126 1.0 0.48438 0.84900 0.31168 1.0000 + Pt Pt127 1.0 0.48438 0.91150 0.31168 1.0000 + Pt Pt128 1.0 0.48438 0.97400 0.31168 1.0000 + Pt Pt129 1.0 0.54688 0.03650 0.31168 1.0000 + Pt Pt130 1.0 0.54688 0.09900 0.31168 1.0000 + Pt Pt131 1.0 0.54688 0.16150 0.31168 1.0000 + Pt Pt132 1.0 0.54688 0.22400 0.31168 1.0000 + Pt Pt133 1.0 0.54688 0.28650 0.31168 1.0000 + Pt Pt134 1.0 0.54688 0.34900 0.31168 1.0000 + Pt Pt135 1.0 0.54688 0.41150 0.31168 1.0000 + Pt Pt136 1.0 0.54688 0.47400 0.31168 1.0000 + Pt Pt137 1.0 0.54688 0.53650 0.31168 1.0000 + Pt Pt138 1.0 0.54688 0.59900 0.31168 1.0000 + Pt Pt139 1.0 0.54688 0.66150 0.31168 1.0000 + Pt Pt140 1.0 0.54688 0.72400 0.31168 1.0000 + Pt Pt141 1.0 0.54688 0.78650 0.31168 1.0000 + Pt Pt142 1.0 0.54688 0.84900 0.31168 1.0000 + Pt Pt143 1.0 0.54688 0.91150 0.31168 1.0000 + Pt Pt144 1.0 0.54688 0.97400 0.31168 1.0000 + Pt Pt145 1.0 0.60938 0.03650 0.31168 1.0000 + Pt Pt146 1.0 0.60938 0.09900 0.31168 1.0000 + Pt Pt147 1.0 0.60938 0.16150 0.31168 1.0000 + Pt Pt148 1.0 0.60938 0.22400 0.31168 1.0000 + Pt Pt149 1.0 0.60938 0.28650 0.31168 1.0000 + Pt Pt150 1.0 0.60938 0.34900 0.31168 1.0000 + Pt Pt151 1.0 0.60938 0.41150 0.31168 1.0000 + Pt Pt152 1.0 0.60938 0.47400 0.31168 1.0000 + Pt Pt153 1.0 0.60938 0.53650 0.31168 1.0000 + Pt Pt154 1.0 0.60938 0.59900 0.31168 1.0000 + Pt Pt155 1.0 0.60938 0.66150 0.31168 1.0000 + Pt Pt156 1.0 0.60938 0.72400 0.31168 1.0000 + Pt Pt157 1.0 0.60938 0.78650 0.31168 1.0000 + Pt Pt158 1.0 0.60938 0.84900 0.31168 1.0000 + Pt Pt159 1.0 0.60938 0.91150 0.31168 1.0000 + Pt Pt160 1.0 0.60938 0.97400 0.31168 1.0000 + Pt Pt161 1.0 0.67188 0.03650 0.31168 1.0000 + Pt Pt162 1.0 0.67188 0.09900 0.31168 1.0000 + Pt Pt163 1.0 0.67188 0.16150 0.31168 1.0000 + Pt Pt164 1.0 0.67188 0.22400 0.31168 1.0000 + Pt Pt165 1.0 0.67188 0.28650 0.31168 1.0000 + Pt Pt166 1.0 0.67188 0.34900 0.31168 1.0000 + Pt Pt167 1.0 0.67188 0.41150 0.31168 1.0000 + Pt Pt168 1.0 0.67188 0.47400 0.31168 1.0000 + Pt Pt169 1.0 0.67188 0.53650 0.31168 1.0000 + Pt Pt170 1.0 0.67188 0.59900 0.31168 1.0000 + Pt Pt171 1.0 0.67188 0.66150 0.31168 1.0000 + Pt Pt172 1.0 0.67188 0.72400 0.31168 1.0000 + Pt Pt173 1.0 0.67188 0.78650 0.31168 1.0000 + Pt Pt174 1.0 0.67188 0.84900 0.31168 1.0000 + Pt Pt175 1.0 0.67188 0.91150 0.31168 1.0000 + Pt Pt176 1.0 0.67188 0.97400 0.31168 1.0000 + Pt Pt177 1.0 0.73438 0.03650 0.31168 1.0000 + Pt Pt178 1.0 0.73438 0.09900 0.31168 1.0000 + Pt Pt179 1.0 0.73438 0.16150 0.31168 1.0000 + Pt Pt180 1.0 0.73438 0.22400 0.31168 1.0000 + Pt Pt181 1.0 0.73438 0.28650 0.31168 1.0000 + Pt Pt182 1.0 0.73438 0.34900 0.31168 1.0000 + Pt Pt183 1.0 0.73438 0.41150 0.31168 1.0000 + Pt Pt184 1.0 0.73438 0.47400 0.31168 1.0000 + Pt Pt185 1.0 0.73438 0.53650 0.31168 1.0000 + Pt Pt186 1.0 0.73438 0.59900 0.31168 1.0000 + Pt Pt187 1.0 0.73438 0.66150 0.31168 1.0000 + Pt Pt188 1.0 0.73438 0.72400 0.31168 1.0000 + Pt Pt189 1.0 0.73438 0.78650 0.31168 1.0000 + Pt Pt190 1.0 0.73438 0.84900 0.31168 1.0000 + Pt Pt191 1.0 0.73438 0.91150 0.31168 1.0000 + Pt Pt192 1.0 0.73438 0.97400 0.31168 1.0000 + Pt Pt193 1.0 0.79688 0.03650 0.31168 1.0000 + Pt Pt194 1.0 0.79688 0.09900 0.31168 1.0000 + Pt Pt195 1.0 0.79688 0.16150 0.31168 1.0000 + Pt Pt196 1.0 0.79688 0.22400 0.31168 1.0000 + Pt Pt197 1.0 0.79688 0.28650 0.31168 1.0000 + Pt Pt198 1.0 0.79688 0.34900 0.31168 1.0000 + Pt Pt199 1.0 0.79688 0.41150 0.31168 1.0000 + Pt Pt200 1.0 0.79688 0.47400 0.31168 1.0000 + Pt Pt201 1.0 0.79688 0.53650 0.31168 1.0000 + Pt Pt202 1.0 0.79688 0.59900 0.31168 1.0000 + Pt Pt203 1.0 0.79688 0.66150 0.31168 1.0000 + Pt Pt204 1.0 0.79688 0.72400 0.31168 1.0000 + Pt Pt205 1.0 0.79688 0.78650 0.31168 1.0000 + Pt Pt206 1.0 0.79688 0.84900 0.31168 1.0000 + Pt Pt207 1.0 0.79688 0.91150 0.31168 1.0000 + Pt Pt208 1.0 0.79688 0.97400 0.31168 1.0000 + Pt Pt209 1.0 0.85938 0.03650 0.31168 1.0000 + Pt Pt210 1.0 0.85938 0.09900 0.31168 1.0000 + Pt Pt211 1.0 0.85938 0.16150 0.31168 1.0000 + Pt Pt212 1.0 0.85938 0.22400 0.31168 1.0000 + Pt Pt213 1.0 0.85938 0.28650 0.31168 1.0000 + Pt Pt214 1.0 0.85938 0.34900 0.31168 1.0000 + Pt Pt215 1.0 0.85938 0.41150 0.31168 1.0000 + Pt Pt216 1.0 0.85938 0.47400 0.31168 1.0000 + Pt Pt217 1.0 0.85938 0.53650 0.31168 1.0000 + Pt Pt218 1.0 0.85938 0.59900 0.31168 1.0000 + Pt Pt219 1.0 0.85938 0.66150 0.31168 1.0000 + Pt Pt220 1.0 0.85938 0.72400 0.31168 1.0000 + Pt Pt221 1.0 0.85938 0.78650 0.31168 1.0000 + Pt Pt222 1.0 0.85938 0.84900 0.31168 1.0000 + Pt Pt223 1.0 0.85938 0.91150 0.31168 1.0000 + Pt Pt224 1.0 0.85938 0.97400 0.31168 1.0000 + Pt Pt225 1.0 0.92188 0.03650 0.31168 1.0000 + Pt Pt226 1.0 0.92188 0.09900 0.31168 1.0000 + Pt Pt227 1.0 0.92188 0.16150 0.31168 1.0000 + Pt Pt228 1.0 0.92188 0.22400 0.31168 1.0000 + Pt Pt229 1.0 0.92188 0.28650 0.31168 1.0000 + Pt Pt230 1.0 0.92188 0.34900 0.31168 1.0000 + Pt Pt231 1.0 0.92188 0.41150 0.31168 1.0000 + Pt Pt232 1.0 0.92188 0.47400 0.31168 1.0000 + Pt Pt233 1.0 0.92188 0.53650 0.31168 1.0000 + Pt Pt234 1.0 0.92188 0.59900 0.31168 1.0000 + Pt Pt235 1.0 0.92188 0.66150 0.31168 1.0000 + Pt Pt236 1.0 0.92188 0.72400 0.31168 1.0000 + Pt Pt237 1.0 0.92188 0.78650 0.31168 1.0000 + Pt Pt238 1.0 0.92188 0.84900 0.31168 1.0000 + Pt Pt239 1.0 0.92188 0.91150 0.31168 1.0000 + Pt Pt240 1.0 0.92188 0.97400 0.31168 1.0000 + Pt Pt241 1.0 0.98438 0.03650 0.31168 1.0000 + Pt Pt242 1.0 0.98438 0.09900 0.31168 1.0000 + Pt Pt243 1.0 0.98438 0.16150 0.31168 1.0000 + Pt Pt244 1.0 0.98438 0.22400 0.31168 1.0000 + Pt Pt245 1.0 0.98438 0.28650 0.31168 1.0000 + Pt Pt246 1.0 0.98438 0.34900 0.31168 1.0000 + Pt Pt247 1.0 0.98438 0.41150 0.31168 1.0000 + Pt Pt248 1.0 0.98438 0.47400 0.31168 1.0000 + Pt Pt249 1.0 0.98438 0.53650 0.31168 1.0000 + Pt Pt250 1.0 0.98438 0.59900 0.31168 1.0000 + Pt Pt251 1.0 0.98438 0.66150 0.31168 1.0000 + Pt Pt252 1.0 0.98438 0.72400 0.31168 1.0000 + Pt Pt253 1.0 0.98438 0.78650 0.31168 1.0000 + Pt Pt254 1.0 0.98438 0.84900 0.31168 1.0000 + Pt Pt255 1.0 0.98438 0.91150 0.31168 1.0000 + Pt Pt256 1.0 0.98438 0.97400 0.31168 1.0000 + Pt Pt257 1.0 0.01562 0.02600 0.68832 1.0000 + Pt Pt258 1.0 0.01562 0.08850 0.68832 1.0000 + Pt Pt259 1.0 0.01562 0.15100 0.68832 1.0000 + Pt Pt260 1.0 0.01562 0.21350 0.68832 1.0000 + Pt Pt261 1.0 0.01562 0.27600 0.68832 1.0000 + Pt Pt262 1.0 0.01562 0.33850 0.68832 1.0000 + Pt Pt263 1.0 0.01562 0.40100 0.68832 1.0000 + Pt Pt264 1.0 0.01562 0.46350 0.68832 1.0000 + Pt Pt265 1.0 0.01562 0.52600 0.68832 1.0000 + Pt Pt266 1.0 0.01562 0.58850 0.68832 1.0000 + Pt Pt267 1.0 0.01562 0.65100 0.68832 1.0000 + Pt Pt268 1.0 0.01562 0.71350 0.68832 1.0000 + Pt Pt269 1.0 0.01562 0.77600 0.68832 1.0000 + Pt Pt270 1.0 0.01562 0.83850 0.68832 1.0000 + Pt Pt271 1.0 0.01562 0.90100 0.68832 1.0000 + Pt Pt272 1.0 0.01562 0.96350 0.68832 1.0000 + Pt Pt273 1.0 0.07812 0.02600 0.68832 1.0000 + Pt Pt274 1.0 0.07812 0.08850 0.68832 1.0000 + Pt Pt275 1.0 0.07812 0.15100 0.68832 1.0000 + Pt Pt276 1.0 0.07812 0.21350 0.68832 1.0000 + Pt Pt277 1.0 0.07812 0.27600 0.68832 1.0000 + Pt Pt278 1.0 0.07812 0.33850 0.68832 1.0000 + Pt Pt279 1.0 0.07812 0.40100 0.68832 1.0000 + Pt Pt280 1.0 0.07812 0.46350 0.68832 1.0000 + Pt Pt281 1.0 0.07812 0.52600 0.68832 1.0000 + Pt Pt282 1.0 0.07812 0.58850 0.68832 1.0000 + Pt Pt283 1.0 0.07812 0.65100 0.68832 1.0000 + Pt Pt284 1.0 0.07812 0.71350 0.68832 1.0000 + Pt Pt285 1.0 0.07812 0.77600 0.68832 1.0000 + Pt Pt286 1.0 0.07812 0.83850 0.68832 1.0000 + Pt Pt287 1.0 0.07812 0.90100 0.68832 1.0000 + Pt Pt288 1.0 0.07812 0.96350 0.68832 1.0000 + Pt Pt289 1.0 0.14062 0.02600 0.68832 1.0000 + Pt Pt290 1.0 0.14062 0.08850 0.68832 1.0000 + Pt Pt291 1.0 0.14062 0.15100 0.68832 1.0000 + Pt Pt292 1.0 0.14062 0.21350 0.68832 1.0000 + Pt Pt293 1.0 0.14062 0.27600 0.68832 1.0000 + Pt Pt294 1.0 0.14062 0.33850 0.68832 1.0000 + Pt Pt295 1.0 0.14062 0.40100 0.68832 1.0000 + Pt Pt296 1.0 0.14062 0.46350 0.68832 1.0000 + Pt Pt297 1.0 0.14062 0.52600 0.68832 1.0000 + Pt Pt298 1.0 0.14062 0.58850 0.68832 1.0000 + Pt Pt299 1.0 0.14062 0.65100 0.68832 1.0000 + Pt Pt300 1.0 0.14062 0.71350 0.68832 1.0000 + Pt Pt301 1.0 0.14062 0.77600 0.68832 1.0000 + Pt Pt302 1.0 0.14062 0.83850 0.68832 1.0000 + Pt Pt303 1.0 0.14062 0.90100 0.68832 1.0000 + Pt Pt304 1.0 0.14062 0.96350 0.68832 1.0000 + Pt Pt305 1.0 0.20312 0.02600 0.68832 1.0000 + Pt Pt306 1.0 0.20312 0.08850 0.68832 1.0000 + Pt Pt307 1.0 0.20312 0.15100 0.68832 1.0000 + Pt Pt308 1.0 0.20312 0.21350 0.68832 1.0000 + Pt Pt309 1.0 0.20312 0.27600 0.68832 1.0000 + Pt Pt310 1.0 0.20312 0.33850 0.68832 1.0000 + Pt Pt311 1.0 0.20312 0.40100 0.68832 1.0000 + Pt Pt312 1.0 0.20312 0.46350 0.68832 1.0000 + Pt Pt313 1.0 0.20312 0.52600 0.68832 1.0000 + Pt Pt314 1.0 0.20312 0.58850 0.68832 1.0000 + Pt Pt315 1.0 0.20312 0.65100 0.68832 1.0000 + Pt Pt316 1.0 0.20312 0.71350 0.68832 1.0000 + Pt Pt317 1.0 0.20312 0.77600 0.68832 1.0000 + Pt Pt318 1.0 0.20312 0.83850 0.68832 1.0000 + Pt Pt319 1.0 0.20312 0.90100 0.68832 1.0000 + Pt Pt320 1.0 0.20312 0.96350 0.68832 1.0000 + Pt Pt321 1.0 0.26562 0.02600 0.68832 1.0000 + Pt Pt322 1.0 0.26562 0.08850 0.68832 1.0000 + Pt Pt323 1.0 0.26562 0.15100 0.68832 1.0000 + Pt Pt324 1.0 0.26562 0.21350 0.68832 1.0000 + Pt Pt325 1.0 0.26562 0.27600 0.68832 1.0000 + Pt Pt326 1.0 0.26562 0.33850 0.68832 1.0000 + Pt Pt327 1.0 0.26562 0.40100 0.68832 1.0000 + Pt Pt328 1.0 0.26562 0.46350 0.68832 1.0000 + Pt Pt329 1.0 0.26562 0.52600 0.68832 1.0000 + Pt Pt330 1.0 0.26562 0.58850 0.68832 1.0000 + Pt Pt331 1.0 0.26562 0.65100 0.68832 1.0000 + Pt Pt332 1.0 0.26562 0.71350 0.68832 1.0000 + Pt Pt333 1.0 0.26562 0.77600 0.68832 1.0000 + Pt Pt334 1.0 0.26562 0.83850 0.68832 1.0000 + Pt Pt335 1.0 0.26562 0.90100 0.68832 1.0000 + Pt Pt336 1.0 0.26562 0.96350 0.68832 1.0000 + Pt Pt337 1.0 0.32812 0.02600 0.68832 1.0000 + Pt Pt338 1.0 0.32812 0.08850 0.68832 1.0000 + Pt Pt339 1.0 0.32812 0.15100 0.68832 1.0000 + Pt Pt340 1.0 0.32812 0.21350 0.68832 1.0000 + Pt Pt341 1.0 0.32812 0.27600 0.68832 1.0000 + Pt Pt342 1.0 0.32812 0.33850 0.68832 1.0000 + Pt Pt343 1.0 0.32812 0.40100 0.68832 1.0000 + Pt Pt344 1.0 0.32812 0.46350 0.68832 1.0000 + Pt Pt345 1.0 0.32812 0.52600 0.68832 1.0000 + Pt Pt346 1.0 0.32812 0.58850 0.68832 1.0000 + Pt Pt347 1.0 0.32812 0.65100 0.68832 1.0000 + Pt Pt348 1.0 0.32812 0.71350 0.68832 1.0000 + Pt Pt349 1.0 0.32812 0.77600 0.68832 1.0000 + Pt Pt350 1.0 0.32812 0.83850 0.68832 1.0000 + Pt Pt351 1.0 0.32812 0.90100 0.68832 1.0000 + Pt Pt352 1.0 0.32812 0.96350 0.68832 1.0000 + Pt Pt353 1.0 0.39062 0.02600 0.68832 1.0000 + Pt Pt354 1.0 0.39062 0.08850 0.68832 1.0000 + Pt Pt355 1.0 0.39062 0.15100 0.68832 1.0000 + Pt Pt356 1.0 0.39062 0.21350 0.68832 1.0000 + Pt Pt357 1.0 0.39062 0.27600 0.68832 1.0000 + Pt Pt358 1.0 0.39062 0.33850 0.68832 1.0000 + Pt Pt359 1.0 0.39062 0.40100 0.68832 1.0000 + Pt Pt360 1.0 0.39062 0.46350 0.68832 1.0000 + Pt Pt361 1.0 0.39062 0.52600 0.68832 1.0000 + Pt Pt362 1.0 0.39062 0.58850 0.68832 1.0000 + Pt Pt363 1.0 0.39062 0.65100 0.68832 1.0000 + Pt Pt364 1.0 0.39062 0.71350 0.68832 1.0000 + Pt Pt365 1.0 0.39062 0.77600 0.68832 1.0000 + Pt Pt366 1.0 0.39062 0.83850 0.68832 1.0000 + Pt Pt367 1.0 0.39062 0.90100 0.68832 1.0000 + Pt Pt368 1.0 0.39062 0.96350 0.68832 1.0000 + Pt Pt369 1.0 0.45312 0.02600 0.68832 1.0000 + Pt Pt370 1.0 0.45312 0.08850 0.68832 1.0000 + Pt Pt371 1.0 0.45312 0.15100 0.68832 1.0000 + Pt Pt372 1.0 0.45312 0.21350 0.68832 1.0000 + Pt Pt373 1.0 0.45312 0.27600 0.68832 1.0000 + Pt Pt374 1.0 0.45312 0.33850 0.68832 1.0000 + Pt Pt375 1.0 0.45312 0.40100 0.68832 1.0000 + Pt Pt376 1.0 0.45312 0.46350 0.68832 1.0000 + Pt Pt377 1.0 0.45312 0.52600 0.68832 1.0000 + Pt Pt378 1.0 0.45312 0.58850 0.68832 1.0000 + Pt Pt379 1.0 0.45312 0.65100 0.68832 1.0000 + Pt Pt380 1.0 0.45312 0.71350 0.68832 1.0000 + Pt Pt381 1.0 0.45312 0.77600 0.68832 1.0000 + Pt Pt382 1.0 0.45312 0.83850 0.68832 1.0000 + Pt Pt383 1.0 0.45312 0.90100 0.68832 1.0000 + Pt Pt384 1.0 0.45312 0.96350 0.68832 1.0000 + Pt Pt385 1.0 0.51562 0.02600 0.68832 1.0000 + Pt Pt386 1.0 0.51562 0.08850 0.68832 1.0000 + Pt Pt387 1.0 0.51562 0.15100 0.68832 1.0000 + Pt Pt388 1.0 0.51562 0.21350 0.68832 1.0000 + Pt Pt389 1.0 0.51562 0.27600 0.68832 1.0000 + Pt Pt390 1.0 0.51562 0.33850 0.68832 1.0000 + Pt Pt391 1.0 0.51562 0.40100 0.68832 1.0000 + Pt Pt392 1.0 0.51562 0.46350 0.68832 1.0000 + Pt Pt393 1.0 0.51562 0.52600 0.68832 1.0000 + Pt Pt394 1.0 0.51562 0.58850 0.68832 1.0000 + Pt Pt395 1.0 0.51562 0.65100 0.68832 1.0000 + Pt Pt396 1.0 0.51562 0.71350 0.68832 1.0000 + Pt Pt397 1.0 0.51562 0.77600 0.68832 1.0000 + Pt Pt398 1.0 0.51562 0.83850 0.68832 1.0000 + Pt Pt399 1.0 0.51562 0.90100 0.68832 1.0000 + Pt Pt400 1.0 0.51562 0.96350 0.68832 1.0000 + Pt Pt401 1.0 0.57812 0.02600 0.68832 1.0000 + Pt Pt402 1.0 0.57812 0.08850 0.68832 1.0000 + Pt Pt403 1.0 0.57812 0.15100 0.68832 1.0000 + Pt Pt404 1.0 0.57812 0.21350 0.68832 1.0000 + Pt Pt405 1.0 0.57812 0.27600 0.68832 1.0000 + Pt Pt406 1.0 0.57812 0.33850 0.68832 1.0000 + Pt Pt407 1.0 0.57812 0.40100 0.68832 1.0000 + Pt Pt408 1.0 0.57812 0.46350 0.68832 1.0000 + Pt Pt409 1.0 0.57812 0.52600 0.68832 1.0000 + Pt Pt410 1.0 0.57812 0.58850 0.68832 1.0000 + Pt Pt411 1.0 0.57812 0.65100 0.68832 1.0000 + Pt Pt412 1.0 0.57812 0.71350 0.68832 1.0000 + Pt Pt413 1.0 0.57812 0.77600 0.68832 1.0000 + Pt Pt414 1.0 0.57812 0.83850 0.68832 1.0000 + Pt Pt415 1.0 0.57812 0.90100 0.68832 1.0000 + Pt Pt416 1.0 0.57812 0.96350 0.68832 1.0000 + Pt Pt417 1.0 0.64062 0.02600 0.68832 1.0000 + Pt Pt418 1.0 0.64062 0.08850 0.68832 1.0000 + Pt Pt419 1.0 0.64062 0.15100 0.68832 1.0000 + Pt Pt420 1.0 0.64062 0.21350 0.68832 1.0000 + Pt Pt421 1.0 0.64062 0.27600 0.68832 1.0000 + Pt Pt422 1.0 0.64062 0.33850 0.68832 1.0000 + Pt Pt423 1.0 0.64062 0.40100 0.68832 1.0000 + Pt Pt424 1.0 0.64062 0.46350 0.68832 1.0000 + Pt Pt425 1.0 0.64062 0.52600 0.68832 1.0000 + Pt Pt426 1.0 0.64062 0.58850 0.68832 1.0000 + Pt Pt427 1.0 0.64062 0.65100 0.68832 1.0000 + Pt Pt428 1.0 0.64062 0.71350 0.68832 1.0000 + Pt Pt429 1.0 0.64062 0.77600 0.68832 1.0000 + Pt Pt430 1.0 0.64062 0.83850 0.68832 1.0000 + Pt Pt431 1.0 0.64062 0.90100 0.68832 1.0000 + Pt Pt432 1.0 0.64062 0.96350 0.68832 1.0000 + Pt Pt433 1.0 0.70312 0.02600 0.68832 1.0000 + Pt Pt434 1.0 0.70312 0.08850 0.68832 1.0000 + Pt Pt435 1.0 0.70312 0.15100 0.68832 1.0000 + Pt Pt436 1.0 0.70312 0.21350 0.68832 1.0000 + Pt Pt437 1.0 0.70312 0.27600 0.68832 1.0000 + Pt Pt438 1.0 0.70312 0.33850 0.68832 1.0000 + Pt Pt439 1.0 0.70312 0.40100 0.68832 1.0000 + Pt Pt440 1.0 0.70312 0.46350 0.68832 1.0000 + Pt Pt441 1.0 0.70312 0.52600 0.68832 1.0000 + Pt Pt442 1.0 0.70312 0.58850 0.68832 1.0000 + Pt Pt443 1.0 0.70312 0.65100 0.68832 1.0000 + Pt Pt444 1.0 0.70312 0.71350 0.68832 1.0000 + Pt Pt445 1.0 0.70312 0.77600 0.68832 1.0000 + Pt Pt446 1.0 0.70312 0.83850 0.68832 1.0000 + Pt Pt447 1.0 0.70312 0.90100 0.68832 1.0000 + Pt Pt448 1.0 0.70312 0.96350 0.68832 1.0000 + Pt Pt449 1.0 0.76562 0.02600 0.68832 1.0000 + Pt Pt450 1.0 0.76562 0.08850 0.68832 1.0000 + Pt Pt451 1.0 0.76562 0.15100 0.68832 1.0000 + Pt Pt452 1.0 0.76562 0.21350 0.68832 1.0000 + Pt Pt453 1.0 0.76562 0.27600 0.68832 1.0000 + Pt Pt454 1.0 0.76562 0.33850 0.68832 1.0000 + Pt Pt455 1.0 0.76562 0.40100 0.68832 1.0000 + Pt Pt456 1.0 0.76562 0.46350 0.68832 1.0000 + Pt Pt457 1.0 0.76562 0.52600 0.68832 1.0000 + Pt Pt458 1.0 0.76562 0.58850 0.68832 1.0000 + Pt Pt459 1.0 0.76562 0.65100 0.68832 1.0000 + Pt Pt460 1.0 0.76562 0.71350 0.68832 1.0000 + Pt Pt461 1.0 0.76562 0.77600 0.68832 1.0000 + Pt Pt462 1.0 0.76562 0.83850 0.68832 1.0000 + Pt Pt463 1.0 0.76562 0.90100 0.68832 1.0000 + Pt Pt464 1.0 0.76562 0.96350 0.68832 1.0000 + Pt Pt465 1.0 0.82812 0.02600 0.68832 1.0000 + Pt Pt466 1.0 0.82812 0.08850 0.68832 1.0000 + Pt Pt467 1.0 0.82812 0.15100 0.68832 1.0000 + Pt Pt468 1.0 0.82812 0.21350 0.68832 1.0000 + Pt Pt469 1.0 0.82812 0.27600 0.68832 1.0000 + Pt Pt470 1.0 0.82812 0.33850 0.68832 1.0000 + Pt Pt471 1.0 0.82812 0.40100 0.68832 1.0000 + Pt Pt472 1.0 0.82812 0.46350 0.68832 1.0000 + Pt Pt473 1.0 0.82812 0.52600 0.68832 1.0000 + Pt Pt474 1.0 0.82812 0.58850 0.68832 1.0000 + Pt Pt475 1.0 0.82812 0.65100 0.68832 1.0000 + Pt Pt476 1.0 0.82812 0.71350 0.68832 1.0000 + Pt Pt477 1.0 0.82812 0.77600 0.68832 1.0000 + Pt Pt478 1.0 0.82812 0.83850 0.68832 1.0000 + Pt Pt479 1.0 0.82812 0.90100 0.68832 1.0000 + Pt Pt480 1.0 0.82812 0.96350 0.68832 1.0000 + Pt Pt481 1.0 0.89062 0.02600 0.68832 1.0000 + Pt Pt482 1.0 0.89062 0.08850 0.68832 1.0000 + Pt Pt483 1.0 0.89062 0.15100 0.68832 1.0000 + Pt Pt484 1.0 0.89062 0.21350 0.68832 1.0000 + Pt Pt485 1.0 0.89062 0.27600 0.68832 1.0000 + Pt Pt486 1.0 0.89062 0.33850 0.68832 1.0000 + Pt Pt487 1.0 0.89062 0.40100 0.68832 1.0000 + Pt Pt488 1.0 0.89062 0.46350 0.68832 1.0000 + Pt Pt489 1.0 0.89062 0.52600 0.68832 1.0000 + Pt Pt490 1.0 0.89062 0.58850 0.68832 1.0000 + Pt Pt491 1.0 0.89062 0.65100 0.68832 1.0000 + Pt Pt492 1.0 0.89062 0.71350 0.68832 1.0000 + Pt Pt493 1.0 0.89062 0.77600 0.68832 1.0000 + Pt Pt494 1.0 0.89062 0.83850 0.68832 1.0000 + Pt Pt495 1.0 0.89062 0.90100 0.68832 1.0000 + Pt Pt496 1.0 0.89062 0.96350 0.68832 1.0000 + Pt Pt497 1.0 0.95312 0.02600 0.68832 1.0000 + Pt Pt498 1.0 0.95312 0.08850 0.68832 1.0000 + Pt Pt499 1.0 0.95312 0.15100 0.68832 1.0000 + Pt Pt500 1.0 0.95312 0.21350 0.68832 1.0000 + Pt Pt501 1.0 0.95312 0.27600 0.68832 1.0000 + Pt Pt502 1.0 0.95312 0.33850 0.68832 1.0000 + Pt Pt503 1.0 0.95312 0.40100 0.68832 1.0000 + Pt Pt504 1.0 0.95312 0.46350 0.68832 1.0000 + Pt Pt505 1.0 0.95312 0.52600 0.68832 1.0000 + Pt Pt506 1.0 0.95312 0.58850 0.68832 1.0000 + Pt Pt507 1.0 0.95312 0.65100 0.68832 1.0000 + Pt Pt508 1.0 0.95312 0.71350 0.68832 1.0000 + Pt Pt509 1.0 0.95312 0.77600 0.68832 1.0000 + Pt Pt510 1.0 0.95312 0.83850 0.68832 1.0000 + Pt Pt511 1.0 0.95312 0.90100 0.68832 1.0000 + Pt Pt512 1.0 0.95312 0.96350 0.68832 1.0000 + Pt Pt513 1.0 0.04687 0.05725 0.68893 1.0000 + Pt Pt514 1.0 0.04687 0.11975 0.68893 1.0000 + Pt Pt515 1.0 0.04687 0.18225 0.68893 1.0000 + Pt Pt516 1.0 0.04687 0.24475 0.68893 1.0000 + Pt Pt517 1.0 0.04687 0.30725 0.68893 1.0000 + Pt Pt518 1.0 0.04687 0.36975 0.68893 1.0000 + Pt Pt519 1.0 0.04687 0.43225 0.68893 1.0000 + Pt Pt520 1.0 0.04687 0.49475 0.68893 1.0000 + Pt Pt521 1.0 0.04687 0.55725 0.68893 1.0000 + Pt Pt522 1.0 0.04687 0.61975 0.68893 1.0000 + Pt Pt523 1.0 0.04687 0.68225 0.68893 1.0000 + Pt Pt524 1.0 0.04687 0.74475 0.68893 1.0000 + Pt Pt525 1.0 0.04687 0.80725 0.68893 1.0000 + Pt Pt526 1.0 0.04687 0.86975 0.68893 1.0000 + Pt Pt527 1.0 0.04687 0.93225 0.68893 1.0000 + Pt Pt528 1.0 0.04687 0.99475 0.68893 1.0000 + Pt Pt529 1.0 0.10937 0.05725 0.68893 1.0000 + Pt Pt530 1.0 0.10937 0.11975 0.68893 1.0000 + Pt Pt531 1.0 0.10937 0.18225 0.68893 1.0000 + Pt Pt532 1.0 0.10937 0.24475 0.68893 1.0000 + Pt Pt533 1.0 0.10937 0.30725 0.68893 1.0000 + Pt Pt534 1.0 0.10937 0.36975 0.68893 1.0000 + Pt Pt535 1.0 0.10937 0.43225 0.68893 1.0000 + Pt Pt536 1.0 0.10937 0.49475 0.68893 1.0000 + Pt Pt537 1.0 0.10937 0.55725 0.68893 1.0000 + Pt Pt538 1.0 0.10937 0.61975 0.68893 1.0000 + Pt Pt539 1.0 0.10937 0.68225 0.68893 1.0000 + Pt Pt540 1.0 0.10937 0.74475 0.68893 1.0000 + Pt Pt541 1.0 0.10937 0.80725 0.68893 1.0000 + Pt Pt542 1.0 0.10937 0.86975 0.68893 1.0000 + Pt Pt543 1.0 0.10937 0.93225 0.68893 1.0000 + Pt Pt544 1.0 0.10937 0.99475 0.68893 1.0000 + Pt Pt545 1.0 0.17187 0.05725 0.68893 1.0000 + Pt Pt546 1.0 0.17187 0.11975 0.68893 1.0000 + Pt Pt547 1.0 0.17187 0.18225 0.68893 1.0000 + Pt Pt548 1.0 0.17187 0.24475 0.68893 1.0000 + Pt Pt549 1.0 0.17187 0.30725 0.68893 1.0000 + Pt Pt550 1.0 0.17187 0.36975 0.68893 1.0000 + Pt Pt551 1.0 0.17187 0.43225 0.68893 1.0000 + Pt Pt552 1.0 0.17187 0.49475 0.68893 1.0000 + Pt Pt553 1.0 0.17187 0.55725 0.68893 1.0000 + Pt Pt554 1.0 0.17187 0.61975 0.68893 1.0000 + Pt Pt555 1.0 0.17187 0.68225 0.68893 1.0000 + Pt Pt556 1.0 0.17187 0.74475 0.68893 1.0000 + Pt Pt557 1.0 0.17187 0.80725 0.68893 1.0000 + Pt Pt558 1.0 0.17187 0.86975 0.68893 1.0000 + Pt Pt559 1.0 0.17187 0.93225 0.68893 1.0000 + Pt Pt560 1.0 0.17187 0.99475 0.68893 1.0000 + Pt Pt561 1.0 0.23437 0.05725 0.68893 1.0000 + Pt Pt562 1.0 0.23437 0.11975 0.68893 1.0000 + Pt Pt563 1.0 0.23437 0.18225 0.68893 1.0000 + Pt Pt564 1.0 0.23437 0.24475 0.68893 1.0000 + Pt Pt565 1.0 0.23437 0.30725 0.68893 1.0000 + Pt Pt566 1.0 0.23437 0.36975 0.68893 1.0000 + Pt Pt567 1.0 0.23437 0.43225 0.68893 1.0000 + Pt Pt568 1.0 0.23437 0.49475 0.68893 1.0000 + Pt Pt569 1.0 0.23437 0.55725 0.68893 1.0000 + Pt Pt570 1.0 0.23437 0.61975 0.68893 1.0000 + Pt Pt571 1.0 0.23437 0.68225 0.68893 1.0000 + Pt Pt572 1.0 0.23437 0.74475 0.68893 1.0000 + Pt Pt573 1.0 0.23437 0.80725 0.68893 1.0000 + Pt Pt574 1.0 0.23437 0.86975 0.68893 1.0000 + Pt Pt575 1.0 0.23437 0.93225 0.68893 1.0000 + Pt Pt576 1.0 0.23437 0.99475 0.68893 1.0000 + Pt Pt577 1.0 0.29687 0.05725 0.68893 1.0000 + Pt Pt578 1.0 0.29687 0.11975 0.68893 1.0000 + Pt Pt579 1.0 0.29687 0.18225 0.68893 1.0000 + Pt Pt580 1.0 0.29687 0.24475 0.68893 1.0000 + Pt Pt581 1.0 0.29687 0.30725 0.68893 1.0000 + Pt Pt582 1.0 0.29687 0.36975 0.68893 1.0000 + Pt Pt583 1.0 0.29687 0.43225 0.68893 1.0000 + Pt Pt584 1.0 0.29687 0.49475 0.68893 1.0000 + Pt Pt585 1.0 0.29687 0.55725 0.68893 1.0000 + Pt Pt586 1.0 0.29687 0.61975 0.68893 1.0000 + Pt Pt587 1.0 0.29687 0.68225 0.68893 1.0000 + Pt Pt588 1.0 0.29687 0.74475 0.68893 1.0000 + Pt Pt589 1.0 0.29687 0.80725 0.68893 1.0000 + Pt Pt590 1.0 0.29687 0.86975 0.68893 1.0000 + Pt Pt591 1.0 0.29687 0.93225 0.68893 1.0000 + Pt Pt592 1.0 0.29687 0.99475 0.68893 1.0000 + Pt Pt593 1.0 0.35937 0.05725 0.68893 1.0000 + Pt Pt594 1.0 0.35937 0.11975 0.68893 1.0000 + Pt Pt595 1.0 0.35937 0.18225 0.68893 1.0000 + Pt Pt596 1.0 0.35937 0.24475 0.68893 1.0000 + Pt Pt597 1.0 0.35937 0.30725 0.68893 1.0000 + Pt Pt598 1.0 0.35937 0.36975 0.68893 1.0000 + Pt Pt599 1.0 0.35937 0.43225 0.68893 1.0000 + Pt Pt600 1.0 0.35937 0.49475 0.68893 1.0000 + Pt Pt601 1.0 0.35937 0.55725 0.68893 1.0000 + Pt Pt602 1.0 0.35937 0.61975 0.68893 1.0000 + Pt Pt603 1.0 0.35937 0.68225 0.68893 1.0000 + Pt Pt604 1.0 0.35937 0.74475 0.68893 1.0000 + Pt Pt605 1.0 0.35937 0.80725 0.68893 1.0000 + Pt Pt606 1.0 0.35937 0.86975 0.68893 1.0000 + Pt Pt607 1.0 0.35937 0.93225 0.68893 1.0000 + Pt Pt608 1.0 0.35937 0.99475 0.68893 1.0000 + Pt Pt609 1.0 0.42187 0.05725 0.68893 1.0000 + Pt Pt610 1.0 0.42187 0.11975 0.68893 1.0000 + Pt Pt611 1.0 0.42187 0.18225 0.68893 1.0000 + Pt Pt612 1.0 0.42187 0.24475 0.68893 1.0000 + Pt Pt613 1.0 0.42187 0.30725 0.68893 1.0000 + Pt Pt614 1.0 0.42187 0.36975 0.68893 1.0000 + Pt Pt615 1.0 0.42187 0.43225 0.68893 1.0000 + Pt Pt616 1.0 0.42187 0.49475 0.68893 1.0000 + Pt Pt617 1.0 0.42187 0.55725 0.68893 1.0000 + Pt Pt618 1.0 0.42187 0.61975 0.68893 1.0000 + Pt Pt619 1.0 0.42187 0.68225 0.68893 1.0000 + Pt Pt620 1.0 0.42187 0.74475 0.68893 1.0000 + Pt Pt621 1.0 0.42187 0.80725 0.68893 1.0000 + Pt Pt622 1.0 0.42187 0.86975 0.68893 1.0000 + Pt Pt623 1.0 0.42187 0.93225 0.68893 1.0000 + Pt Pt624 1.0 0.42187 0.99475 0.68893 1.0000 + Pt Pt625 1.0 0.48437 0.05725 0.68893 1.0000 + Pt Pt626 1.0 0.48437 0.11975 0.68893 1.0000 + Pt Pt627 1.0 0.48437 0.18225 0.68893 1.0000 + Pt Pt628 1.0 0.48437 0.24475 0.68893 1.0000 + Pt Pt629 1.0 0.48437 0.30725 0.68893 1.0000 + Pt Pt630 1.0 0.48437 0.36975 0.68893 1.0000 + Pt Pt631 1.0 0.48437 0.43225 0.68893 1.0000 + Pt Pt632 1.0 0.48437 0.49475 0.68893 1.0000 + Pt Pt633 1.0 0.48437 0.55725 0.68893 1.0000 + Pt Pt634 1.0 0.48437 0.61975 0.68893 1.0000 + Pt Pt635 1.0 0.48437 0.68225 0.68893 1.0000 + Pt Pt636 1.0 0.48437 0.74475 0.68893 1.0000 + Pt Pt637 1.0 0.48437 0.80725 0.68893 1.0000 + Pt Pt638 1.0 0.48437 0.86975 0.68893 1.0000 + Pt Pt639 1.0 0.48437 0.93225 0.68893 1.0000 + Pt Pt640 1.0 0.48437 0.99475 0.68893 1.0000 + Pt Pt641 1.0 0.54687 0.05725 0.68893 1.0000 + Pt Pt642 1.0 0.54687 0.11975 0.68893 1.0000 + Pt Pt643 1.0 0.54687 0.18225 0.68893 1.0000 + Pt Pt644 1.0 0.54687 0.24475 0.68893 1.0000 + Pt Pt645 1.0 0.54687 0.30725 0.68893 1.0000 + Pt Pt646 1.0 0.54687 0.36975 0.68893 1.0000 + Pt Pt647 1.0 0.54687 0.43225 0.68893 1.0000 + Pt Pt648 1.0 0.54687 0.49475 0.68893 1.0000 + Pt Pt649 1.0 0.54687 0.55725 0.68893 1.0000 + Pt Pt650 1.0 0.54687 0.61975 0.68893 1.0000 + Pt Pt651 1.0 0.54687 0.68225 0.68893 1.0000 + Pt Pt652 1.0 0.54687 0.74475 0.68893 1.0000 + Pt Pt653 1.0 0.54687 0.80725 0.68893 1.0000 + Pt Pt654 1.0 0.54687 0.86975 0.68893 1.0000 + Pt Pt655 1.0 0.54687 0.93225 0.68893 1.0000 + Pt Pt656 1.0 0.54687 0.99475 0.68893 1.0000 + Pt Pt657 1.0 0.60937 0.05725 0.68893 1.0000 + Pt Pt658 1.0 0.60937 0.11975 0.68893 1.0000 + Pt Pt659 1.0 0.60937 0.18225 0.68893 1.0000 + Pt Pt660 1.0 0.60937 0.24475 0.68893 1.0000 + Pt Pt661 1.0 0.60937 0.30725 0.68893 1.0000 + Pt Pt662 1.0 0.60937 0.36975 0.68893 1.0000 + Pt Pt663 1.0 0.60937 0.43225 0.68893 1.0000 + Pt Pt664 1.0 0.60937 0.49475 0.68893 1.0000 + Pt Pt665 1.0 0.60937 0.55725 0.68893 1.0000 + Pt Pt666 1.0 0.60937 0.61975 0.68893 1.0000 + Pt Pt667 1.0 0.60937 0.68225 0.68893 1.0000 + Pt Pt668 1.0 0.60937 0.74475 0.68893 1.0000 + Pt Pt669 1.0 0.60937 0.80725 0.68893 1.0000 + Pt Pt670 1.0 0.60937 0.86975 0.68893 1.0000 + Pt Pt671 1.0 0.60937 0.93225 0.68893 1.0000 + Pt Pt672 1.0 0.60937 0.99475 0.68893 1.0000 + Pt Pt673 1.0 0.67187 0.05725 0.68893 1.0000 + Pt Pt674 1.0 0.67187 0.11975 0.68893 1.0000 + Pt Pt675 1.0 0.67187 0.18225 0.68893 1.0000 + Pt Pt676 1.0 0.67187 0.24475 0.68893 1.0000 + Pt Pt677 1.0 0.67187 0.30725 0.68893 1.0000 + Pt Pt678 1.0 0.67187 0.36975 0.68893 1.0000 + Pt Pt679 1.0 0.67187 0.43225 0.68893 1.0000 + Pt Pt680 1.0 0.67187 0.49475 0.68893 1.0000 + Pt Pt681 1.0 0.67187 0.55725 0.68893 1.0000 + Pt Pt682 1.0 0.67187 0.61975 0.68893 1.0000 + Pt Pt683 1.0 0.67187 0.68225 0.68893 1.0000 + Pt Pt684 1.0 0.67187 0.74475 0.68893 1.0000 + Pt Pt685 1.0 0.67187 0.80725 0.68893 1.0000 + Pt Pt686 1.0 0.67187 0.86975 0.68893 1.0000 + Pt Pt687 1.0 0.67187 0.93225 0.68893 1.0000 + Pt Pt688 1.0 0.67187 0.99475 0.68893 1.0000 + Pt Pt689 1.0 0.73437 0.05725 0.68893 1.0000 + Pt Pt690 1.0 0.73437 0.11975 0.68893 1.0000 + Pt Pt691 1.0 0.73437 0.18225 0.68893 1.0000 + Pt Pt692 1.0 0.73437 0.24475 0.68893 1.0000 + Pt Pt693 1.0 0.73437 0.30725 0.68893 1.0000 + Pt Pt694 1.0 0.73437 0.36975 0.68893 1.0000 + Pt Pt695 1.0 0.73437 0.43225 0.68893 1.0000 + Pt Pt696 1.0 0.73437 0.49475 0.68893 1.0000 + Pt Pt697 1.0 0.73437 0.55725 0.68893 1.0000 + Pt Pt698 1.0 0.73437 0.61975 0.68893 1.0000 + Pt Pt699 1.0 0.73437 0.68225 0.68893 1.0000 + Pt Pt700 1.0 0.73437 0.74475 0.68893 1.0000 + Pt Pt701 1.0 0.73437 0.80725 0.68893 1.0000 + Pt Pt702 1.0 0.73437 0.86975 0.68893 1.0000 + Pt Pt703 1.0 0.73437 0.93225 0.68893 1.0000 + Pt Pt704 1.0 0.73437 0.99475 0.68893 1.0000 + Pt Pt705 1.0 0.79687 0.05725 0.68893 1.0000 + Pt Pt706 1.0 0.79687 0.11975 0.68893 1.0000 + Pt Pt707 1.0 0.79687 0.18225 0.68893 1.0000 + Pt Pt708 1.0 0.79687 0.24475 0.68893 1.0000 + Pt Pt709 1.0 0.79687 0.30725 0.68893 1.0000 + Pt Pt710 1.0 0.79687 0.36975 0.68893 1.0000 + Pt Pt711 1.0 0.79687 0.43225 0.68893 1.0000 + Pt Pt712 1.0 0.79687 0.49475 0.68893 1.0000 + Pt Pt713 1.0 0.79687 0.55725 0.68893 1.0000 + Pt Pt714 1.0 0.79687 0.61975 0.68893 1.0000 + Pt Pt715 1.0 0.79687 0.68225 0.68893 1.0000 + Pt Pt716 1.0 0.79687 0.74475 0.68893 1.0000 + Pt Pt717 1.0 0.79687 0.80725 0.68893 1.0000 + Pt Pt718 1.0 0.79687 0.86975 0.68893 1.0000 + Pt Pt719 1.0 0.79687 0.93225 0.68893 1.0000 + Pt Pt720 1.0 0.79687 0.99475 0.68893 1.0000 + Pt Pt721 1.0 0.85937 0.05725 0.68893 1.0000 + Pt Pt722 1.0 0.85937 0.11975 0.68893 1.0000 + Pt Pt723 1.0 0.85937 0.18225 0.68893 1.0000 + Pt Pt724 1.0 0.85937 0.24475 0.68893 1.0000 + Pt Pt725 1.0 0.85937 0.30725 0.68893 1.0000 + Pt Pt726 1.0 0.85937 0.36975 0.68893 1.0000 + Pt Pt727 1.0 0.85937 0.43225 0.68893 1.0000 + Pt Pt728 1.0 0.85937 0.49475 0.68893 1.0000 + Pt Pt729 1.0 0.85937 0.55725 0.68893 1.0000 + Pt Pt730 1.0 0.85937 0.61975 0.68893 1.0000 + Pt Pt731 1.0 0.85937 0.68225 0.68893 1.0000 + Pt Pt732 1.0 0.85937 0.74475 0.68893 1.0000 + Pt Pt733 1.0 0.85937 0.80725 0.68893 1.0000 + Pt Pt734 1.0 0.85937 0.86975 0.68893 1.0000 + Pt Pt735 1.0 0.85937 0.93225 0.68893 1.0000 + Pt Pt736 1.0 0.85937 0.99475 0.68893 1.0000 + Pt Pt737 1.0 0.92187 0.05725 0.68893 1.0000 + Pt Pt738 1.0 0.92187 0.11975 0.68893 1.0000 + Pt Pt739 1.0 0.92187 0.18225 0.68893 1.0000 + Pt Pt740 1.0 0.92187 0.24475 0.68893 1.0000 + Pt Pt741 1.0 0.92187 0.30725 0.68893 1.0000 + Pt Pt742 1.0 0.92187 0.36975 0.68893 1.0000 + Pt Pt743 1.0 0.92187 0.43225 0.68893 1.0000 + Pt Pt744 1.0 0.92187 0.49475 0.68893 1.0000 + Pt Pt745 1.0 0.92187 0.55725 0.68893 1.0000 + Pt Pt746 1.0 0.92187 0.61975 0.68893 1.0000 + Pt Pt747 1.0 0.92187 0.68225 0.68893 1.0000 + Pt Pt748 1.0 0.92187 0.74475 0.68893 1.0000 + Pt Pt749 1.0 0.92187 0.80725 0.68893 1.0000 + Pt Pt750 1.0 0.92187 0.86975 0.68893 1.0000 + Pt Pt751 1.0 0.92187 0.93225 0.68893 1.0000 + Pt Pt752 1.0 0.92187 0.99475 0.68893 1.0000 + Pt Pt753 1.0 0.98437 0.05725 0.68893 1.0000 + Pt Pt754 1.0 0.98437 0.11975 0.68893 1.0000 + Pt Pt755 1.0 0.98437 0.18225 0.68893 1.0000 + Pt Pt756 1.0 0.98437 0.24475 0.68893 1.0000 + Pt Pt757 1.0 0.98437 0.30725 0.68893 1.0000 + Pt Pt758 1.0 0.98437 0.36975 0.68893 1.0000 + Pt Pt759 1.0 0.98437 0.43225 0.68893 1.0000 + Pt Pt760 1.0 0.98437 0.49475 0.68893 1.0000 + Pt Pt761 1.0 0.98437 0.55725 0.68893 1.0000 + Pt Pt762 1.0 0.98437 0.61975 0.68893 1.0000 + Pt Pt763 1.0 0.98437 0.68225 0.68893 1.0000 + Pt Pt764 1.0 0.98437 0.74475 0.68893 1.0000 + Pt Pt765 1.0 0.98437 0.80725 0.68893 1.0000 + Pt Pt766 1.0 0.98437 0.86975 0.68893 1.0000 + Pt Pt767 1.0 0.98437 0.93225 0.68893 1.0000 + Pt Pt768 1.0 0.98437 0.99475 0.68893 1.0000 + Pt Pt769 1.0 0.01563 0.00525 0.31107 1.0000 + Pt Pt770 1.0 0.01563 0.06775 0.31107 1.0000 + Pt Pt771 1.0 0.01563 0.13025 0.31107 1.0000 + Pt Pt772 1.0 0.01563 0.19275 0.31107 1.0000 + Pt Pt773 1.0 0.01563 0.25525 0.31107 1.0000 + Pt Pt774 1.0 0.01563 0.31775 0.31107 1.0000 + Pt Pt775 1.0 0.01563 0.38025 0.31107 1.0000 + Pt Pt776 1.0 0.01563 0.44275 0.31107 1.0000 + Pt Pt777 1.0 0.01563 0.50525 0.31107 1.0000 + Pt Pt778 1.0 0.01563 0.56775 0.31107 1.0000 + Pt Pt779 1.0 0.01563 0.63025 0.31107 1.0000 + Pt Pt780 1.0 0.01563 0.69275 0.31107 1.0000 + Pt Pt781 1.0 0.01563 0.75525 0.31107 1.0000 + Pt Pt782 1.0 0.01563 0.81775 0.31107 1.0000 + Pt Pt783 1.0 0.01563 0.88025 0.31107 1.0000 + Pt Pt784 1.0 0.01563 0.94275 0.31107 1.0000 + Pt Pt785 1.0 0.07813 0.00525 0.31107 1.0000 + Pt Pt786 1.0 0.07813 0.06775 0.31107 1.0000 + Pt Pt787 1.0 0.07813 0.13025 0.31107 1.0000 + Pt Pt788 1.0 0.07813 0.19275 0.31107 1.0000 + Pt Pt789 1.0 0.07813 0.25525 0.31107 1.0000 + Pt Pt790 1.0 0.07813 0.31775 0.31107 1.0000 + Pt Pt791 1.0 0.07813 0.38025 0.31107 1.0000 + Pt Pt792 1.0 0.07813 0.44275 0.31107 1.0000 + Pt Pt793 1.0 0.07813 0.50525 0.31107 1.0000 + Pt Pt794 1.0 0.07813 0.56775 0.31107 1.0000 + Pt Pt795 1.0 0.07813 0.63025 0.31107 1.0000 + Pt Pt796 1.0 0.07813 0.69275 0.31107 1.0000 + Pt Pt797 1.0 0.07813 0.75525 0.31107 1.0000 + Pt Pt798 1.0 0.07813 0.81775 0.31107 1.0000 + Pt Pt799 1.0 0.07813 0.88025 0.31107 1.0000 + Pt Pt800 1.0 0.07813 0.94275 0.31107 1.0000 + Pt Pt801 1.0 0.14063 0.00525 0.31107 1.0000 + Pt Pt802 1.0 0.14063 0.06775 0.31107 1.0000 + Pt Pt803 1.0 0.14063 0.13025 0.31107 1.0000 + Pt Pt804 1.0 0.14063 0.19275 0.31107 1.0000 + Pt Pt805 1.0 0.14063 0.25525 0.31107 1.0000 + Pt Pt806 1.0 0.14063 0.31775 0.31107 1.0000 + Pt Pt807 1.0 0.14063 0.38025 0.31107 1.0000 + Pt Pt808 1.0 0.14063 0.44275 0.31107 1.0000 + Pt Pt809 1.0 0.14063 0.50525 0.31107 1.0000 + Pt Pt810 1.0 0.14063 0.56775 0.31107 1.0000 + Pt Pt811 1.0 0.14063 0.63025 0.31107 1.0000 + Pt Pt812 1.0 0.14063 0.69275 0.31107 1.0000 + Pt Pt813 1.0 0.14063 0.75525 0.31107 1.0000 + Pt Pt814 1.0 0.14063 0.81775 0.31107 1.0000 + Pt Pt815 1.0 0.14063 0.88025 0.31107 1.0000 + Pt Pt816 1.0 0.14063 0.94275 0.31107 1.0000 + Pt Pt817 1.0 0.20313 0.00525 0.31107 1.0000 + Pt Pt818 1.0 0.20313 0.06775 0.31107 1.0000 + Pt Pt819 1.0 0.20313 0.13025 0.31107 1.0000 + Pt Pt820 1.0 0.20313 0.19275 0.31107 1.0000 + Pt Pt821 1.0 0.20313 0.25525 0.31107 1.0000 + Pt Pt822 1.0 0.20313 0.31775 0.31107 1.0000 + Pt Pt823 1.0 0.20313 0.38025 0.31107 1.0000 + Pt Pt824 1.0 0.20313 0.44275 0.31107 1.0000 + Pt Pt825 1.0 0.20313 0.50525 0.31107 1.0000 + Pt Pt826 1.0 0.20313 0.56775 0.31107 1.0000 + Pt Pt827 1.0 0.20313 0.63025 0.31107 1.0000 + Pt Pt828 1.0 0.20313 0.69275 0.31107 1.0000 + Pt Pt829 1.0 0.20313 0.75525 0.31107 1.0000 + Pt Pt830 1.0 0.20313 0.81775 0.31107 1.0000 + Pt Pt831 1.0 0.20313 0.88025 0.31107 1.0000 + Pt Pt832 1.0 0.20313 0.94275 0.31107 1.0000 + Pt Pt833 1.0 0.26563 0.00525 0.31107 1.0000 + Pt Pt834 1.0 0.26563 0.06775 0.31107 1.0000 + Pt Pt835 1.0 0.26563 0.13025 0.31107 1.0000 + Pt Pt836 1.0 0.26563 0.19275 0.31107 1.0000 + Pt Pt837 1.0 0.26563 0.25525 0.31107 1.0000 + Pt Pt838 1.0 0.26563 0.31775 0.31107 1.0000 + Pt Pt839 1.0 0.26563 0.38025 0.31107 1.0000 + Pt Pt840 1.0 0.26563 0.44275 0.31107 1.0000 + Pt Pt841 1.0 0.26563 0.50525 0.31107 1.0000 + Pt Pt842 1.0 0.26563 0.56775 0.31107 1.0000 + Pt Pt843 1.0 0.26563 0.63025 0.31107 1.0000 + Pt Pt844 1.0 0.26563 0.69275 0.31107 1.0000 + Pt Pt845 1.0 0.26563 0.75525 0.31107 1.0000 + Pt Pt846 1.0 0.26563 0.81775 0.31107 1.0000 + Pt Pt847 1.0 0.26563 0.88025 0.31107 1.0000 + Pt Pt848 1.0 0.26563 0.94275 0.31107 1.0000 + Pt Pt849 1.0 0.32813 0.00525 0.31107 1.0000 + Pt Pt850 1.0 0.32813 0.06775 0.31107 1.0000 + Pt Pt851 1.0 0.32813 0.13025 0.31107 1.0000 + Pt Pt852 1.0 0.32813 0.19275 0.31107 1.0000 + Pt Pt853 1.0 0.32813 0.25525 0.31107 1.0000 + Pt Pt854 1.0 0.32813 0.31775 0.31107 1.0000 + Pt Pt855 1.0 0.32813 0.38025 0.31107 1.0000 + Pt Pt856 1.0 0.32813 0.44275 0.31107 1.0000 + Pt Pt857 1.0 0.32813 0.50525 0.31107 1.0000 + Pt Pt858 1.0 0.32813 0.56775 0.31107 1.0000 + Pt Pt859 1.0 0.32813 0.63025 0.31107 1.0000 + Pt Pt860 1.0 0.32813 0.69275 0.31107 1.0000 + Pt Pt861 1.0 0.32813 0.75525 0.31107 1.0000 + Pt Pt862 1.0 0.32813 0.81775 0.31107 1.0000 + Pt Pt863 1.0 0.32813 0.88025 0.31107 1.0000 + Pt Pt864 1.0 0.32813 0.94275 0.31107 1.0000 + Pt Pt865 1.0 0.39063 0.00525 0.31107 1.0000 + Pt Pt866 1.0 0.39063 0.06775 0.31107 1.0000 + Pt Pt867 1.0 0.39063 0.13025 0.31107 1.0000 + Pt Pt868 1.0 0.39063 0.19275 0.31107 1.0000 + Pt Pt869 1.0 0.39063 0.25525 0.31107 1.0000 + Pt Pt870 1.0 0.39063 0.31775 0.31107 1.0000 + Pt Pt871 1.0 0.39063 0.38025 0.31107 1.0000 + Pt Pt872 1.0 0.39063 0.44275 0.31107 1.0000 + Pt Pt873 1.0 0.39063 0.50525 0.31107 1.0000 + Pt Pt874 1.0 0.39063 0.56775 0.31107 1.0000 + Pt Pt875 1.0 0.39063 0.63025 0.31107 1.0000 + Pt Pt876 1.0 0.39063 0.69275 0.31107 1.0000 + Pt Pt877 1.0 0.39063 0.75525 0.31107 1.0000 + Pt Pt878 1.0 0.39063 0.81775 0.31107 1.0000 + Pt Pt879 1.0 0.39063 0.88025 0.31107 1.0000 + Pt Pt880 1.0 0.39063 0.94275 0.31107 1.0000 + Pt Pt881 1.0 0.45313 0.00525 0.31107 1.0000 + Pt Pt882 1.0 0.45313 0.06775 0.31107 1.0000 + Pt Pt883 1.0 0.45313 0.13025 0.31107 1.0000 + Pt Pt884 1.0 0.45313 0.19275 0.31107 1.0000 + Pt Pt885 1.0 0.45313 0.25525 0.31107 1.0000 + Pt Pt886 1.0 0.45313 0.31775 0.31107 1.0000 + Pt Pt887 1.0 0.45313 0.38025 0.31107 1.0000 + Pt Pt888 1.0 0.45313 0.44275 0.31107 1.0000 + Pt Pt889 1.0 0.45313 0.50525 0.31107 1.0000 + Pt Pt890 1.0 0.45313 0.56775 0.31107 1.0000 + Pt Pt891 1.0 0.45313 0.63025 0.31107 1.0000 + Pt Pt892 1.0 0.45313 0.69275 0.31107 1.0000 + Pt Pt893 1.0 0.45313 0.75525 0.31107 1.0000 + Pt Pt894 1.0 0.45313 0.81775 0.31107 1.0000 + Pt Pt895 1.0 0.45313 0.88025 0.31107 1.0000 + Pt Pt896 1.0 0.45313 0.94275 0.31107 1.0000 + Pt Pt897 1.0 0.51563 0.00525 0.31107 1.0000 + Pt Pt898 1.0 0.51563 0.06775 0.31107 1.0000 + Pt Pt899 1.0 0.51563 0.13025 0.31107 1.0000 + Pt Pt900 1.0 0.51563 0.19275 0.31107 1.0000 + Pt Pt901 1.0 0.51563 0.25525 0.31107 1.0000 + Pt Pt902 1.0 0.51563 0.31775 0.31107 1.0000 + Pt Pt903 1.0 0.51563 0.38025 0.31107 1.0000 + Pt Pt904 1.0 0.51563 0.44275 0.31107 1.0000 + Pt Pt905 1.0 0.51563 0.50525 0.31107 1.0000 + Pt Pt906 1.0 0.51563 0.56775 0.31107 1.0000 + Pt Pt907 1.0 0.51563 0.63025 0.31107 1.0000 + Pt Pt908 1.0 0.51563 0.69275 0.31107 1.0000 + Pt Pt909 1.0 0.51563 0.75525 0.31107 1.0000 + Pt Pt910 1.0 0.51563 0.81775 0.31107 1.0000 + Pt Pt911 1.0 0.51563 0.88025 0.31107 1.0000 + Pt Pt912 1.0 0.51563 0.94275 0.31107 1.0000 + Pt Pt913 1.0 0.57813 0.00525 0.31107 1.0000 + Pt Pt914 1.0 0.57813 0.06775 0.31107 1.0000 + Pt Pt915 1.0 0.57813 0.13025 0.31107 1.0000 + Pt Pt916 1.0 0.57813 0.19275 0.31107 1.0000 + Pt Pt917 1.0 0.57813 0.25525 0.31107 1.0000 + Pt Pt918 1.0 0.57813 0.31775 0.31107 1.0000 + Pt Pt919 1.0 0.57813 0.38025 0.31107 1.0000 + Pt Pt920 1.0 0.57813 0.44275 0.31107 1.0000 + Pt Pt921 1.0 0.57813 0.50525 0.31107 1.0000 + Pt Pt922 1.0 0.57813 0.56775 0.31107 1.0000 + Pt Pt923 1.0 0.57813 0.63025 0.31107 1.0000 + Pt Pt924 1.0 0.57813 0.69275 0.31107 1.0000 + Pt Pt925 1.0 0.57813 0.75525 0.31107 1.0000 + Pt Pt926 1.0 0.57813 0.81775 0.31107 1.0000 + Pt Pt927 1.0 0.57813 0.88025 0.31107 1.0000 + Pt Pt928 1.0 0.57813 0.94275 0.31107 1.0000 + Pt Pt929 1.0 0.64063 0.00525 0.31107 1.0000 + Pt Pt930 1.0 0.64063 0.06775 0.31107 1.0000 + Pt Pt931 1.0 0.64063 0.13025 0.31107 1.0000 + Pt Pt932 1.0 0.64063 0.19275 0.31107 1.0000 + Pt Pt933 1.0 0.64063 0.25525 0.31107 1.0000 + Pt Pt934 1.0 0.64063 0.31775 0.31107 1.0000 + Pt Pt935 1.0 0.64063 0.38025 0.31107 1.0000 + Pt Pt936 1.0 0.64063 0.44275 0.31107 1.0000 + Pt Pt937 1.0 0.64063 0.50525 0.31107 1.0000 + Pt Pt938 1.0 0.64063 0.56775 0.31107 1.0000 + Pt Pt939 1.0 0.64063 0.63025 0.31107 1.0000 + Pt Pt940 1.0 0.64063 0.69275 0.31107 1.0000 + Pt Pt941 1.0 0.64063 0.75525 0.31107 1.0000 + Pt Pt942 1.0 0.64063 0.81775 0.31107 1.0000 + Pt Pt943 1.0 0.64063 0.88025 0.31107 1.0000 + Pt Pt944 1.0 0.64063 0.94275 0.31107 1.0000 + Pt Pt945 1.0 0.70313 0.00525 0.31107 1.0000 + Pt Pt946 1.0 0.70313 0.06775 0.31107 1.0000 + Pt Pt947 1.0 0.70313 0.13025 0.31107 1.0000 + Pt Pt948 1.0 0.70313 0.19275 0.31107 1.0000 + Pt Pt949 1.0 0.70313 0.25525 0.31107 1.0000 + Pt Pt950 1.0 0.70313 0.31775 0.31107 1.0000 + Pt Pt951 1.0 0.70313 0.38025 0.31107 1.0000 + Pt Pt952 1.0 0.70313 0.44275 0.31107 1.0000 + Pt Pt953 1.0 0.70313 0.50525 0.31107 1.0000 + Pt Pt954 1.0 0.70313 0.56775 0.31107 1.0000 + Pt Pt955 1.0 0.70313 0.63025 0.31107 1.0000 + Pt Pt956 1.0 0.70313 0.69275 0.31107 1.0000 + Pt Pt957 1.0 0.70313 0.75525 0.31107 1.0000 + Pt Pt958 1.0 0.70313 0.81775 0.31107 1.0000 + Pt Pt959 1.0 0.70313 0.88025 0.31107 1.0000 + Pt Pt960 1.0 0.70313 0.94275 0.31107 1.0000 + Pt Pt961 1.0 0.76563 0.00525 0.31107 1.0000 + Pt Pt962 1.0 0.76563 0.06775 0.31107 1.0000 + Pt Pt963 1.0 0.76563 0.13025 0.31107 1.0000 + Pt Pt964 1.0 0.76563 0.19275 0.31107 1.0000 + Pt Pt965 1.0 0.76563 0.25525 0.31107 1.0000 + Pt Pt966 1.0 0.76563 0.31775 0.31107 1.0000 + Pt Pt967 1.0 0.76563 0.38025 0.31107 1.0000 + Pt Pt968 1.0 0.76563 0.44275 0.31107 1.0000 + Pt Pt969 1.0 0.76563 0.50525 0.31107 1.0000 + Pt Pt970 1.0 0.76563 0.56775 0.31107 1.0000 + Pt Pt971 1.0 0.76563 0.63025 0.31107 1.0000 + Pt Pt972 1.0 0.76563 0.69275 0.31107 1.0000 + Pt Pt973 1.0 0.76563 0.75525 0.31107 1.0000 + Pt Pt974 1.0 0.76563 0.81775 0.31107 1.0000 + Pt Pt975 1.0 0.76563 0.88025 0.31107 1.0000 + Pt Pt976 1.0 0.76563 0.94275 0.31107 1.0000 + Pt Pt977 1.0 0.82813 0.00525 0.31107 1.0000 + Pt Pt978 1.0 0.82813 0.06775 0.31107 1.0000 + Pt Pt979 1.0 0.82813 0.13025 0.31107 1.0000 + Pt Pt980 1.0 0.82813 0.19275 0.31107 1.0000 + Pt Pt981 1.0 0.82813 0.25525 0.31107 1.0000 + Pt Pt982 1.0 0.82813 0.31775 0.31107 1.0000 + Pt Pt983 1.0 0.82813 0.38025 0.31107 1.0000 + Pt Pt984 1.0 0.82813 0.44275 0.31107 1.0000 + Pt Pt985 1.0 0.82813 0.50525 0.31107 1.0000 + Pt Pt986 1.0 0.82813 0.56775 0.31107 1.0000 + Pt Pt987 1.0 0.82813 0.63025 0.31107 1.0000 + Pt Pt988 1.0 0.82813 0.69275 0.31107 1.0000 + Pt Pt989 1.0 0.82813 0.75525 0.31107 1.0000 + Pt Pt990 1.0 0.82813 0.81775 0.31107 1.0000 + Pt Pt991 1.0 0.82813 0.88025 0.31107 1.0000 + Pt Pt992 1.0 0.82813 0.94275 0.31107 1.0000 + Pt Pt993 1.0 0.89063 0.00525 0.31107 1.0000 + Pt Pt994 1.0 0.89063 0.06775 0.31107 1.0000 + Pt Pt995 1.0 0.89063 0.13025 0.31107 1.0000 + Pt Pt996 1.0 0.89063 0.19275 0.31107 1.0000 + Pt Pt997 1.0 0.89063 0.25525 0.31107 1.0000 + Pt Pt998 1.0 0.89063 0.31775 0.31107 1.0000 + Pt Pt999 1.0 0.89063 0.38025 0.31107 1.0000 + Pt Pt1000 1.0 0.89063 0.44275 0.31107 1.0000 + Pt Pt1001 1.0 0.89063 0.50525 0.31107 1.0000 + Pt Pt1002 1.0 0.89063 0.56775 0.31107 1.0000 + Pt Pt1003 1.0 0.89063 0.63025 0.31107 1.0000 + Pt Pt1004 1.0 0.89063 0.69275 0.31107 1.0000 + Pt Pt1005 1.0 0.89063 0.75525 0.31107 1.0000 + Pt Pt1006 1.0 0.89063 0.81775 0.31107 1.0000 + Pt Pt1007 1.0 0.89063 0.88025 0.31107 1.0000 + Pt Pt1008 1.0 0.89063 0.94275 0.31107 1.0000 + Pt Pt1009 1.0 0.95313 0.00525 0.31107 1.0000 + Pt Pt1010 1.0 0.95313 0.06775 0.31107 1.0000 + Pt Pt1011 1.0 0.95313 0.13025 0.31107 1.0000 + Pt Pt1012 1.0 0.95313 0.19275 0.31107 1.0000 + Pt Pt1013 1.0 0.95313 0.25525 0.31107 1.0000 + Pt Pt1014 1.0 0.95313 0.31775 0.31107 1.0000 + Pt Pt1015 1.0 0.95313 0.38025 0.31107 1.0000 + Pt Pt1016 1.0 0.95313 0.44275 0.31107 1.0000 + Pt Pt1017 1.0 0.95313 0.50525 0.31107 1.0000 + Pt Pt1018 1.0 0.95313 0.56775 0.31107 1.0000 + Pt Pt1019 1.0 0.95313 0.63025 0.31107 1.0000 + Pt Pt1020 1.0 0.95313 0.69275 0.31107 1.0000 + Pt Pt1021 1.0 0.95313 0.75525 0.31107 1.0000 + Pt Pt1022 1.0 0.95313 0.81775 0.31107 1.0000 + Pt Pt1023 1.0 0.95313 0.88025 0.31107 1.0000 + Pt Pt1024 1.0 0.95313 0.94275 0.31107 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-5978_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-5978_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..ada45a8c8bfe1db7f6911ae32b6616926611067a --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5978_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural F1024 +_chemical_formula_sum "F1024" +_cell_length_a 57.3627 +_cell_length_b 99.2179 +_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 + F F1 1.0 0.05527 0.05660 0.50000 1.0000 + F F2 1.0 0.05527 0.11910 0.50000 1.0000 + F F3 1.0 0.05527 0.18160 0.50000 1.0000 + F F4 1.0 0.05527 0.24410 0.50000 1.0000 + F F5 1.0 0.05527 0.30660 0.50000 1.0000 + F F6 1.0 0.05527 0.36910 0.50000 1.0000 + F F7 1.0 0.05527 0.43160 0.50000 1.0000 + F F8 1.0 0.05527 0.49410 0.50000 1.0000 + F F9 1.0 0.05527 0.55660 0.50000 1.0000 + F F10 1.0 0.05527 0.61910 0.50000 1.0000 + F F11 1.0 0.05527 0.68160 0.50000 1.0000 + F F12 1.0 0.05527 0.74410 0.50000 1.0000 + F F13 1.0 0.05527 0.80660 0.50000 1.0000 + F F14 1.0 0.05527 0.86910 0.50000 1.0000 + F F15 1.0 0.05527 0.93160 0.50000 1.0000 + F F16 1.0 0.05527 0.99410 0.50000 1.0000 + F F17 1.0 0.11776 0.05660 0.50000 1.0000 + F F18 1.0 0.11776 0.11910 0.50000 1.0000 + F F19 1.0 0.11776 0.18160 0.50000 1.0000 + F F20 1.0 0.11776 0.24410 0.50000 1.0000 + F F21 1.0 0.11776 0.30660 0.50000 1.0000 + F F22 1.0 0.11776 0.36910 0.50000 1.0000 + F F23 1.0 0.11776 0.43160 0.50000 1.0000 + F F24 1.0 0.11776 0.49410 0.50000 1.0000 + F F25 1.0 0.11776 0.55660 0.50000 1.0000 + F F26 1.0 0.11776 0.61910 0.50000 1.0000 + F F27 1.0 0.11776 0.68160 0.50000 1.0000 + F F28 1.0 0.11776 0.74410 0.50000 1.0000 + F F29 1.0 0.11776 0.80660 0.50000 1.0000 + F F30 1.0 0.11776 0.86910 0.50000 1.0000 + F F31 1.0 0.11776 0.93160 0.50000 1.0000 + F F32 1.0 0.11776 0.99410 0.50000 1.0000 + F F33 1.0 0.18027 0.05660 0.50000 1.0000 + F F34 1.0 0.18027 0.11910 0.50000 1.0000 + F F35 1.0 0.18027 0.18160 0.50000 1.0000 + F F36 1.0 0.18027 0.24410 0.50000 1.0000 + F F37 1.0 0.18027 0.30660 0.50000 1.0000 + F F38 1.0 0.18027 0.36910 0.50000 1.0000 + F F39 1.0 0.18027 0.43160 0.50000 1.0000 + F F40 1.0 0.18027 0.49410 0.50000 1.0000 + F F41 1.0 0.18027 0.55660 0.50000 1.0000 + F F42 1.0 0.18027 0.61910 0.50000 1.0000 + F F43 1.0 0.18027 0.68160 0.50000 1.0000 + F F44 1.0 0.18027 0.74410 0.50000 1.0000 + F F45 1.0 0.18027 0.80660 0.50000 1.0000 + F F46 1.0 0.18027 0.86910 0.50000 1.0000 + F F47 1.0 0.18027 0.93160 0.50000 1.0000 + F F48 1.0 0.18027 0.99410 0.50000 1.0000 + F F49 1.0 0.24277 0.05660 0.50000 1.0000 + F F50 1.0 0.24277 0.11910 0.50000 1.0000 + F F51 1.0 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b/tier2/cif_file/orthogonal_2dm-5979_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..32a93fe43a770152b814e7abe8718f7c06c32831 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-5979_supercell_16x16x1.cif @@ -0,0 +1,1049 @@ +data_image0 +_chemical_formula_structural N1024 +_chemical_formula_sum "N1024" +_cell_length_a 34.8472 +_cell_length_b 52.3483 +_cell_length_c 6.87231 +_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 + N N1 1.0 0.00000 0.05358 0.70898 1.0000 + N N2 1.0 0.00000 0.11608 0.70898 1.0000 + N N3 1.0 0.00000 0.17858 0.70898 1.0000 + N N4 1.0 0.00000 0.24108 0.70898 1.0000 + N N5 1.0 0.00000 0.30358 0.70898 1.0000 + N N6 1.0 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0.97767 0.70898 1.0000 + N N961 1.0 0.78125 0.04017 0.70898 1.0000 + N N962 1.0 0.78125 0.10267 0.70898 1.0000 + N N963 1.0 0.78125 0.16517 0.70898 1.0000 + N N964 1.0 0.78125 0.22767 0.70898 1.0000 + N N965 1.0 0.78125 0.29017 0.70898 1.0000 + N N966 1.0 0.78125 0.35267 0.70898 1.0000 + N N967 1.0 0.78125 0.41517 0.70898 1.0000 + N N968 1.0 0.78125 0.47767 0.70898 1.0000 + N N969 1.0 0.78125 0.54017 0.70898 1.0000 + N N970 1.0 0.78125 0.60267 0.70898 1.0000 + N N971 1.0 0.78125 0.66517 0.70898 1.0000 + N N972 1.0 0.78125 0.72767 0.70898 1.0000 + N N973 1.0 0.78125 0.79017 0.70898 1.0000 + N N974 1.0 0.78125 0.85267 0.70898 1.0000 + N N975 1.0 0.78125 0.91517 0.70898 1.0000 + N N976 1.0 0.78125 0.97767 0.70898 1.0000 + N N977 1.0 0.84375 0.04017 0.70898 1.0000 + N N978 1.0 0.84375 0.10267 0.70898 1.0000 + N N979 1.0 0.84375 0.16517 0.70898 1.0000 + N N980 1.0 0.84375 0.22767 0.70898 1.0000 + N N981 1.0 0.84375 0.29017 0.70898 1.0000 + N N982 1.0 0.84375 0.35267 0.70898 1.0000 + N N983 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0.70898 1.0000 + N N1006 1.0 0.90625 0.85267 0.70898 1.0000 + N N1007 1.0 0.90625 0.91517 0.70898 1.0000 + N N1008 1.0 0.90625 0.97767 0.70898 1.0000 + N N1009 1.0 0.96875 0.04017 0.70898 1.0000 + N N1010 1.0 0.96875 0.10267 0.70898 1.0000 + N N1011 1.0 0.96875 0.16517 0.70898 1.0000 + N N1012 1.0 0.96875 0.22767 0.70898 1.0000 + N N1013 1.0 0.96875 0.29017 0.70898 1.0000 + N N1014 1.0 0.96875 0.35267 0.70898 1.0000 + N N1015 1.0 0.96875 0.41517 0.70898 1.0000 + N N1016 1.0 0.96875 0.47767 0.70898 1.0000 + N N1017 1.0 0.96875 0.54017 0.70898 1.0000 + N N1018 1.0 0.96875 0.60267 0.70898 1.0000 + N N1019 1.0 0.96875 0.66517 0.70898 1.0000 + N N1020 1.0 0.96875 0.72767 0.70898 1.0000 + N N1021 1.0 0.96875 0.79017 0.70898 1.0000 + N N1022 1.0 0.96875 0.85267 0.70898 1.0000 + N N1023 1.0 0.96875 0.91517 0.70898 1.0000 + N N1024 1.0 0.96875 0.97767 0.70898 1.0000 diff --git a/tier2/cif_file/orthogonal_2dm-6132_supercell_16x16x1.cif b/tier2/cif_file/orthogonal_2dm-6132_supercell_16x16x1.cif new file mode 100644 index 0000000000000000000000000000000000000000..f8cb53ca8bffe93f4fafced70a022c8bac28f604 --- /dev/null +++ b/tier2/cif_file/orthogonal_2dm-6132_supercell_16x16x1.cif @@ -0,0 +1,1561 @@ +data_image0 +_chemical_formula_structural Pd512F1024 +_chemical_formula_sum "Pd512 F1024" +_cell_length_a 60.0146 +_cell_length_b 91.0018 +_cell_length_c 6.12419 +_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 + Pd Pd1 1.0 0.00000 0.00000 0.50000 1.0000 + Pd Pd2 1.0 0.00000 0.06250 0.50000 1.0000 + Pd Pd3 1.0 0.00000 0.12500 0.50000 1.0000 + Pd Pd4 1.0 0.00000 0.18750 0.50000 1.0000 + Pd Pd5 1.0 0.00000 0.25000 0.50000 1.0000 + Pd Pd6 1.0 0.00000 0.31250 0.50000 1.0000 + Pd Pd7 1.0 0.00000 0.37500 0.50000 1.0000 + Pd Pd8 1.0 0.00000 0.43750 0.50000 1.0000 + Pd Pd9 1.0 0.00000 0.50000 0.50000 1.0000 + Pd Pd10 1.0 0.00000 0.56250 0.50000 1.0000 + Pd Pd11 1.0 0.00000 0.62500 0.50000 1.0000 + Pd Pd12 1.0 0.00000 0.68750 0.50000 1.0000 + Pd Pd13 1.0 0.00000 0.75000 0.50000 1.0000 + Pd Pd14 1.0 0.00000 0.81250 0.50000 1.0000 + Pd Pd15 1.0 0.00000 0.87500 0.50000 1.0000 + Pd Pd16 1.0 0.00000 0.93750 0.50000 1.0000 + Pd Pd17 1.0 0.06250 0.00000 0.50000 1.0000 + Pd Pd18 1.0 0.06250 0.06250 0.50000 1.0000 + Pd Pd19 1.0 0.06250 0.12500 0.50000 1.0000 + Pd Pd20 1.0 0.06250 0.18750 0.50000 1.0000 + Pd Pd21 1.0 0.06250 0.25000 0.50000 1.0000 + Pd Pd22 1.0 0.06250 0.31250 0.50000 1.0000 + Pd Pd23 1.0 0.06250 0.37500 0.50000 1.0000 + Pd Pd24 1.0 0.06250 0.43750 0.50000 1.0000 + Pd Pd25 1.0 0.06250 0.50000 0.50000 1.0000 + Pd Pd26 1.0 0.06250 0.56250 0.50000 1.0000 + Pd Pd27 1.0 0.06250 0.62500 0.50000 1.0000 + Pd Pd28 1.0 0.06250 0.68750 0.50000 1.0000 + Pd Pd29 1.0 0.06250 0.75000 0.50000 1.0000 + Pd Pd30 1.0 0.06250 0.81250 0.50000 1.0000 + Pd Pd31 1.0 0.06250 0.87500 0.50000 1.0000 + Pd Pd32 1.0 0.06250 0.93750 0.50000 1.0000 + Pd Pd33 1.0 0.12500 0.00000 0.50000 1.0000 + Pd Pd34 1.0 0.12500 0.06250 0.50000 1.0000 + Pd Pd35 1.0 0.12500 0.12500 0.50000 1.0000 + Pd Pd36 1.0 0.12500 0.18750 0.50000 1.0000 + Pd Pd37 1.0 0.12500 0.25000 0.50000 1.0000 + Pd Pd38 1.0 0.12500 0.31250 0.50000 1.0000 + Pd Pd39 1.0 0.12500 0.37500 0.50000 1.0000 + Pd Pd40 1.0 0.12500 0.43750 0.50000 1.0000 + Pd Pd41 1.0 0.12500 0.50000 0.50000 1.0000 + Pd Pd42 1.0 0.12500 0.56250 0.50000 1.0000 + Pd Pd43 1.0 0.12500 0.62500 0.50000 1.0000 + Pd Pd44 1.0 0.12500 0.68750 0.50000 1.0000 + Pd Pd45 1.0 0.12500 0.75000 0.50000 1.0000 + Pd Pd46 1.0 0.12500 0.81250 0.50000 1.0000 + Pd Pd47 1.0 0.12500 0.87500 0.50000 1.0000 + Pd Pd48 1.0 0.12500 0.93750 0.50000 1.0000 + Pd Pd49 1.0 0.18750 0.00000 0.50000 1.0000 + Pd Pd50 1.0 0.18750 0.06250 0.50000 1.0000 + Pd Pd51 1.0 0.18750 0.12500 0.50000 1.0000 + Pd Pd52 1.0 0.18750 0.18750 0.50000 1.0000 + Pd Pd53 1.0 0.18750 0.25000 0.50000 1.0000 + Pd Pd54 1.0 0.18750 0.31250 0.50000 1.0000 + Pd Pd55 1.0 0.18750 0.37500 0.50000 1.0000 + Pd Pd56 1.0 0.18750 0.43750 0.50000 1.0000 + Pd Pd57 1.0 0.18750 0.50000 0.50000 1.0000 + Pd Pd58 1.0 0.18750 0.56250 0.50000 1.0000 + Pd Pd59 1.0 0.18750 0.62500 0.50000 1.0000 + Pd Pd60 1.0 0.18750 0.68750 0.50000 1.0000 + Pd Pd61 1.0 0.18750 0.75000 0.50000 1.0000 + Pd Pd62 1.0 0.18750 0.81250 0.50000 1.0000 + Pd Pd63 1.0 0.18750 0.87500 0.50000 1.0000 + Pd Pd64 1.0 0.18750 0.93750 0.50000 1.0000 + Pd Pd65 1.0 0.25000 0.00000 0.50000 1.0000 + Pd Pd66 1.0 0.25000 0.06250 0.50000 1.0000 + Pd Pd67 1.0 0.25000 0.12500 0.50000 1.0000 + Pd Pd68 1.0 0.25000 0.18750 0.50000 1.0000 + Pd Pd69 1.0 0.25000 0.25000 0.50000 1.0000 + Pd Pd70 1.0 0.25000 0.31250 0.50000 1.0000 + Pd Pd71 1.0 0.25000 0.37500 0.50000 1.0000 + Pd Pd72 1.0 0.25000 0.43750 0.50000 1.0000 + Pd Pd73 1.0 0.25000 0.50000 0.50000 1.0000 + Pd Pd74 1.0 0.25000 0.56250 0.50000 1.0000 + Pd Pd75 1.0 0.25000 0.62500 0.50000 1.0000 + Pd Pd76 1.0 0.25000 0.68750 0.50000 1.0000 + Pd Pd77 1.0 0.25000 0.75000 0.50000 1.0000 + Pd Pd78 1.0 0.25000 0.81250 0.50000 1.0000 + Pd Pd79 1.0 0.25000 0.87500 0.50000 1.0000 + Pd Pd80 1.0 0.25000 0.93750 0.50000 1.0000 + Pd Pd81 1.0 0.31250 0.00000 0.50000 1.0000 + Pd Pd82 1.0 0.31250 0.06250 0.50000 1.0000 + Pd Pd83 1.0 0.31250 0.12500 0.50000 1.0000 + Pd Pd84 1.0 0.31250 0.18750 0.50000 1.0000 + Pd Pd85 1.0 0.31250 0.25000 0.50000 1.0000 + Pd Pd86 1.0 0.31250 0.31250 0.50000 1.0000 + Pd Pd87 1.0 0.31250 0.37500 0.50000 1.0000 + Pd Pd88 1.0 0.31250 0.43750 0.50000 1.0000 + Pd Pd89 1.0 0.31250 0.50000 0.50000 1.0000 + Pd Pd90 1.0 0.31250 0.56250 0.50000 1.0000 + Pd Pd91 1.0 0.31250 0.62500 0.50000 1.0000 + Pd Pd92 1.0 0.31250 0.68750 0.50000 1.0000 + Pd Pd93 1.0 0.31250 0.75000 0.50000 1.0000 + Pd Pd94 1.0 0.31250 0.81250 0.50000 1.0000 + Pd Pd95 1.0 0.31250 0.87500 0.50000 1.0000 + Pd Pd96 1.0 0.31250 0.93750 0.50000 1.0000 + Pd Pd97 1.0 0.37500 0.00000 0.50000 1.0000 + Pd Pd98 1.0 0.37500 0.06250 0.50000 1.0000 + Pd Pd99 1.0 0.37500 0.12500 0.50000 1.0000 + Pd Pd100 1.0 0.37500 0.18750 0.50000 1.0000 + Pd Pd101 1.0 0.37500 0.25000 0.50000 1.0000 + Pd Pd102 1.0 0.37500 0.31250 0.50000 1.0000 + Pd Pd103 1.0 0.37500 0.37500 0.50000 1.0000 + Pd Pd104 1.0 0.37500 0.43750 0.50000 1.0000 + Pd Pd105 1.0 0.37500 0.50000 0.50000 1.0000 + Pd Pd106 1.0 0.37500 0.56250 0.50000 1.0000 + Pd Pd107 1.0 0.37500 0.62500 0.50000 1.0000 + Pd Pd108 1.0 0.37500 0.68750 0.50000 1.0000 + Pd Pd109 1.0 0.37500 0.75000 0.50000 1.0000 + Pd Pd110 1.0 0.37500 0.81250 0.50000 1.0000 + Pd Pd111 1.0 0.37500 0.87500 0.50000 1.0000 + Pd Pd112 1.0 0.37500 0.93750 0.50000 1.0000 + Pd Pd113 1.0 0.43750 0.00000 0.50000 1.0000 + Pd Pd114 1.0 0.43750 0.06250 0.50000 1.0000 + Pd Pd115 1.0 0.43750 0.12500 0.50000 1.0000 + Pd Pd116 1.0 0.43750 0.18750 0.50000 1.0000 + Pd Pd117 1.0 0.43750 0.25000 0.50000 1.0000 + Pd Pd118 1.0 0.43750 0.31250 0.50000 1.0000 + Pd Pd119 1.0 0.43750 0.37500 0.50000 1.0000 + Pd Pd120 1.0 0.43750 0.43750 0.50000 1.0000 + Pd Pd121 1.0 0.43750 0.50000 0.50000 1.0000 + Pd Pd122 1.0 0.43750 0.56250 0.50000 1.0000 + Pd Pd123 1.0 0.43750 0.62500 0.50000 1.0000 + Pd Pd124 1.0 0.43750 0.68750 0.50000 1.0000 + Pd Pd125 1.0 0.43750 0.75000 0.50000 1.0000 + Pd Pd126 1.0 0.43750 0.81250 0.50000 1.0000 + Pd Pd127 1.0 0.43750 0.87500 0.50000 1.0000 + Pd Pd128 1.0 0.43750 0.93750 0.50000 1.0000 + Pd Pd129 1.0 0.50000 0.00000 0.50000 1.0000 + Pd Pd130 1.0 0.50000 0.06250 0.50000 1.0000 + Pd Pd131 1.0 0.50000 0.12500 0.50000 1.0000 + Pd Pd132 1.0 0.50000 0.18750 0.50000 1.0000 + Pd Pd133 1.0 0.50000 0.25000 0.50000 1.0000 + Pd Pd134 1.0 0.50000 0.31250 0.50000 1.0000 + Pd Pd135 1.0 0.50000 0.37500 0.50000 1.0000 + Pd Pd136 1.0 0.50000 0.43750 0.50000 1.0000 + Pd Pd137 1.0 0.50000 0.50000 0.50000 1.0000 + Pd Pd138 1.0 0.50000 0.56250 0.50000 1.0000 + Pd Pd139 1.0 0.50000 0.62500 0.50000 1.0000 + Pd Pd140 1.0 0.50000 0.68750 0.50000 1.0000 + Pd Pd141 1.0 0.50000 0.75000 0.50000 1.0000 + Pd Pd142 1.0 0.50000 0.81250 0.50000 1.0000 + Pd Pd143 1.0 0.50000 0.87500 0.50000 1.0000 + Pd Pd144 1.0 0.50000 0.93750 0.50000 1.0000 + Pd Pd145 1.0 0.56250 0.00000 0.50000 1.0000 + Pd Pd146 1.0 0.56250 0.06250 0.50000 1.0000 + Pd Pd147 1.0 0.56250 0.12500 0.50000 1.0000 + Pd Pd148 1.0 0.56250 0.18750 0.50000 1.0000 + Pd Pd149 1.0 0.56250 0.25000 0.50000 1.0000 + Pd Pd150 1.0 0.56250 0.31250 0.50000 1.0000 + Pd Pd151 1.0 0.56250 0.37500 0.50000 1.0000 + Pd Pd152 1.0 0.56250 0.43750 0.50000 1.0000 + Pd Pd153 1.0 0.56250 0.50000 0.50000 1.0000 + Pd Pd154 1.0 0.56250 0.56250 0.50000 1.0000 + Pd Pd155 1.0 0.56250 0.62500 0.50000 1.0000 + Pd Pd156 1.0 0.56250 0.68750 0.50000 1.0000 + Pd Pd157 1.0 0.56250 0.75000 0.50000 1.0000 + Pd Pd158 1.0 0.56250 0.81250 0.50000 1.0000 + Pd Pd159 1.0 0.56250 0.87500 0.50000 1.0000 + Pd Pd160 1.0 0.56250 0.93750 0.50000 1.0000 + Pd Pd161 1.0 0.62500 0.00000 0.50000 1.0000 + Pd Pd162 1.0 0.62500 0.06250 0.50000 1.0000 + Pd Pd163 1.0 0.62500 0.12500 0.50000 1.0000 + Pd Pd164 1.0 0.62500 0.18750 0.50000 1.0000 + Pd Pd165 1.0 0.62500 0.25000 0.50000 1.0000 + Pd Pd166 1.0 0.62500 0.31250 0.50000 1.0000 + Pd Pd167 1.0 0.62500 0.37500 0.50000 1.0000 + Pd Pd168 1.0 0.62500 0.43750 0.50000 1.0000 + Pd Pd169 1.0 0.62500 0.50000 0.50000 1.0000 + Pd Pd170 1.0 0.62500 0.56250 0.50000 1.0000 + Pd Pd171 1.0 0.62500 0.62500 0.50000 1.0000 + Pd Pd172 1.0 0.62500 0.68750 0.50000 1.0000 + Pd Pd173 1.0 0.62500 0.75000 0.50000 1.0000 + Pd Pd174 1.0 0.62500 0.81250 0.50000 1.0000 + Pd Pd175 1.0 0.62500 0.87500 0.50000 1.0000 + Pd Pd176 1.0 0.62500 0.93750 0.50000 1.0000 + Pd Pd177 1.0 0.68750 0.00000 0.50000 1.0000 + Pd Pd178 1.0 0.68750 0.06250 0.50000 1.0000 + Pd Pd179 1.0 0.68750 0.12500 0.50000 1.0000 + Pd Pd180 1.0 0.68750 0.18750 0.50000 1.0000 + Pd Pd181 1.0 0.68750 0.25000 0.50000 1.0000 + Pd Pd182 1.0 0.68750 0.31250 0.50000 1.0000 + Pd Pd183 1.0 0.68750 0.37500 0.50000 1.0000 + Pd Pd184 1.0 0.68750 0.43750 0.50000 1.0000 + Pd Pd185 1.0 0.68750 0.50000 0.50000 1.0000 + Pd Pd186 1.0 0.68750 0.56250 0.50000 1.0000 + Pd Pd187 1.0 0.68750 0.62500 0.50000 1.0000 + Pd Pd188 1.0 0.68750 0.68750 0.50000 1.0000 + Pd Pd189 1.0 0.68750 0.75000 0.50000 1.0000 + Pd Pd190 1.0 0.68750 0.81250 0.50000 1.0000 + Pd Pd191 1.0 0.68750 0.87500 0.50000 1.0000 + Pd Pd192 1.0 0.68750 0.93750 0.50000 1.0000 + Pd Pd193 1.0 0.75000 0.00000 0.50000 1.0000 + Pd Pd194 1.0 0.75000 0.06250 0.50000 1.0000 + Pd Pd195 1.0 0.75000 0.12500 0.50000 1.0000 + Pd Pd196 1.0 0.75000 0.18750 0.50000 1.0000 + Pd Pd197 1.0 0.75000 0.25000 0.50000 1.0000 + Pd Pd198 1.0 0.75000 0.31250 0.50000 1.0000 + Pd Pd199 1.0 0.75000 0.37500 0.50000 1.0000 + Pd Pd200 1.0 0.75000 0.43750 0.50000 1.0000 + Pd Pd201 1.0 0.75000 0.50000 0.50000 1.0000 + Pd Pd202 1.0 0.75000 0.56250 0.50000 1.0000 + Pd Pd203 1.0 0.75000 0.62500 0.50000 1.0000 + Pd Pd204 1.0 0.75000 0.68750 0.50000 1.0000 + Pd Pd205 1.0 0.75000 0.75000 0.50000 1.0000 + Pd Pd206 1.0 0.75000 0.81250 0.50000 1.0000 + Pd Pd207 1.0 0.75000 0.87500 0.50000 1.0000 + Pd Pd208 1.0 0.75000 0.93750 0.50000 1.0000 + Pd Pd209 1.0 0.81250 0.00000 0.50000 1.0000 + Pd Pd210 1.0 0.81250 0.06250 0.50000 1.0000 + Pd Pd211 1.0 0.81250 0.12500 0.50000 1.0000 + Pd Pd212 1.0 0.81250 0.18750 0.50000 1.0000 + Pd Pd213 1.0 0.81250 0.25000 0.50000 1.0000 + Pd Pd214 1.0 0.81250 0.31250 0.50000 1.0000 + Pd Pd215 1.0 0.81250 0.37500 0.50000 1.0000 + Pd Pd216 1.0 0.81250 0.43750 0.50000 1.0000 + Pd Pd217 1.0 0.81250 0.50000 0.50000 1.0000 + Pd Pd218 1.0 0.81250 0.56250 0.50000 1.0000 + Pd Pd219 1.0 0.81250 0.62500 0.50000 1.0000 + Pd Pd220 1.0 0.81250 0.68750 0.50000 1.0000 + Pd Pd221 1.0 0.81250 0.75000 0.50000 1.0000 + Pd Pd222 1.0 0.81250 0.81250 0.50000 1.0000 + Pd Pd223 1.0 0.81250 0.87500 0.50000 1.0000 + Pd Pd224 1.0 0.81250 0.93750 0.50000 1.0000 + Pd Pd225 1.0 0.87500 0.00000 0.50000 1.0000 + Pd Pd226 1.0 0.87500 0.06250 0.50000 1.0000 + Pd Pd227 1.0 0.87500 0.12500 0.50000 1.0000 + Pd Pd228 1.0 0.87500 0.18750 0.50000 1.0000 + Pd Pd229 1.0 0.87500 0.25000 0.50000 1.0000 + Pd Pd230 1.0 0.87500 0.31250 0.50000 1.0000 + Pd Pd231 1.0 0.87500 0.37500 0.50000 1.0000 + Pd Pd232 1.0 0.87500 0.43750 0.50000 1.0000 + Pd Pd233 1.0 0.87500 0.50000 0.50000 1.0000 + Pd Pd234 1.0 0.87500 0.56250 0.50000 1.0000 + Pd Pd235 1.0 0.87500 0.62500 0.50000 1.0000 + Pd Pd236 1.0 0.87500 0.68750 0.50000 1.0000 + Pd Pd237 1.0 0.87500 0.75000 0.50000 1.0000 + Pd Pd238 1.0 0.87500 0.81250 0.50000 1.0000 + Pd Pd239 1.0 0.87500 0.87500 0.50000 1.0000 + Pd Pd240 1.0 0.87500 0.93750 0.50000 1.0000 + Pd Pd241 1.0 0.93750 0.00000 0.50000 1.0000 + Pd Pd242 1.0 0.93750 0.06250 0.50000 1.0000 + Pd Pd243 1.0 0.93750 0.12500 0.50000 1.0000 + Pd Pd244 1.0 0.93750 0.18750 0.50000 1.0000 + Pd Pd245 1.0 0.93750 0.25000 0.50000 1.0000 + Pd Pd246 1.0 0.93750 0.31250 0.50000 1.0000 + Pd Pd247 1.0 0.93750 0.37500 0.50000 1.0000 + Pd Pd248 1.0 0.93750 0.43750 0.50000 1.0000 + Pd Pd249 1.0 0.93750 0.50000 0.50000 1.0000 + Pd Pd250 1.0 0.93750 0.56250 0.50000 1.0000 + Pd Pd251 1.0 0.93750 0.62500 0.50000 1.0000 + Pd Pd252 1.0 0.93750 0.68750 0.50000 1.0000 + Pd Pd253 1.0 0.93750 0.75000 0.50000 1.0000 + Pd Pd254 1.0 0.93750 0.81250 0.50000 1.0000 + Pd Pd255 1.0 0.93750 0.87500 0.50000 1.0000 + Pd Pd256 1.0 0.93750 0.93750 0.50000 1.0000 + Pd Pd257 1.0 0.03125 0.03125 0.50000 1.0000 + Pd Pd258 1.0 0.03125 0.09375 0.50000 1.0000 + Pd Pd259 1.0 0.03125 0.15625 0.50000 1.0000 + Pd Pd260 1.0 0.03125 0.21875 0.50000 1.0000 + Pd Pd261 1.0 0.03125 0.28125 0.50000 1.0000 + Pd Pd262 1.0 0.03125 0.34375 0.50000 1.0000 + Pd Pd263 1.0 0.03125 0.40625 0.50000 1.0000 + Pd Pd264 1.0 0.03125 0.46875 0.50000 1.0000 + Pd Pd265 1.0 0.03125 0.53125 0.50000 1.0000 + Pd Pd266 1.0 0.03125 0.59375 0.50000 1.0000 + Pd Pd267 1.0 0.03125 0.65625 0.50000 1.0000 + Pd Pd268 1.0 0.03125 0.71875 0.50000 1.0000 + Pd Pd269 1.0 0.03125 0.78125 0.50000 1.0000 + Pd Pd270 1.0 0.03125 0.84375 0.50000 1.0000 + Pd Pd271 1.0 0.03125 0.90625 0.50000 1.0000 + Pd Pd272 1.0 0.03125 0.96875 0.50000 1.0000 + Pd Pd273 1.0 0.09375 0.03125 0.50000 1.0000 + Pd Pd274 1.0 0.09375 0.09375 0.50000 1.0000 + Pd Pd275 1.0 0.09375 0.15625 0.50000 1.0000 + Pd Pd276 1.0 0.09375 0.21875 0.50000 1.0000 + Pd Pd277 1.0 0.09375 0.28125 0.50000 1.0000 + Pd Pd278 1.0 0.09375 0.34375 0.50000 1.0000 + Pd Pd279 1.0 0.09375 0.40625 0.50000 1.0000 + Pd Pd280 1.0 0.09375 0.46875 0.50000 1.0000 + Pd Pd281 1.0 0.09375 0.53125 0.50000 1.0000 + Pd Pd282 1.0 0.09375 0.59375 0.50000 1.0000 + Pd Pd283 1.0 0.09375 0.65625 0.50000 1.0000 + Pd Pd284 1.0 0.09375 0.71875 0.50000 1.0000 + Pd Pd285 1.0 0.09375 0.78125 0.50000 1.0000 + Pd Pd286 1.0 0.09375 0.84375 0.50000 1.0000 + Pd Pd287 1.0 0.09375 0.90625 0.50000 1.0000 + Pd Pd288 1.0 0.09375 0.96875 0.50000 1.0000 + Pd Pd289 1.0 0.15625 0.03125 0.50000 1.0000 + Pd Pd290 1.0 0.15625 0.09375 0.50000 1.0000 + Pd Pd291 1.0 0.15625 0.15625 0.50000 1.0000 + Pd Pd292 1.0 0.15625 0.21875 0.50000 1.0000 + Pd Pd293 1.0 0.15625 0.28125 0.50000 1.0000 + Pd Pd294 1.0 0.15625 0.34375 0.50000 1.0000 + Pd Pd295 1.0 0.15625 0.40625 0.50000 1.0000 + Pd Pd296 1.0 0.15625 0.46875 0.50000 1.0000 + Pd Pd297 1.0 0.15625 0.53125 0.50000 1.0000 + Pd Pd298 1.0 0.15625 0.59375 0.50000 1.0000 + Pd Pd299 1.0 0.15625 0.65625 0.50000 1.0000 + Pd Pd300 1.0 0.15625 0.71875 0.50000 1.0000 + Pd Pd301 1.0 0.15625 0.78125 0.50000 1.0000 + Pd Pd302 1.0 0.15625 0.84375 0.50000 1.0000 + Pd Pd303 1.0 0.15625 0.90625 0.50000 1.0000 + Pd Pd304 1.0 0.15625 0.96875 0.50000 1.0000 + Pd Pd305 1.0 0.21875 0.03125 0.50000 1.0000 + Pd Pd306 1.0 0.21875 0.09375 0.50000 1.0000 + Pd Pd307 1.0 0.21875 0.15625 0.50000 1.0000 + Pd Pd308 1.0 0.21875 0.21875 0.50000 1.0000 + Pd Pd309 1.0 0.21875 0.28125 0.50000 1.0000 + Pd Pd310 1.0 0.21875 0.34375 0.50000 1.0000 + Pd Pd311 1.0 0.21875 0.40625 0.50000 1.0000 + Pd Pd312 1.0 0.21875 0.46875 0.50000 1.0000 + Pd Pd313 1.0 0.21875 0.53125 0.50000 1.0000 + Pd Pd314 1.0 0.21875 0.59375 0.50000 1.0000 + Pd Pd315 1.0 0.21875 0.65625 0.50000 1.0000 + Pd Pd316 1.0 0.21875 0.71875 0.50000 1.0000 + Pd Pd317 1.0 0.21875 0.78125 0.50000 1.0000 + Pd Pd318 1.0 0.21875 0.84375 0.50000 1.0000 + Pd Pd319 1.0 0.21875 0.90625 0.50000 1.0000 + Pd Pd320 1.0 0.21875 0.96875 0.50000 1.0000 + Pd Pd321 1.0 0.28125 0.03125 0.50000 1.0000 + Pd Pd322 1.0 0.28125 0.09375 0.50000 1.0000 + Pd Pd323 1.0 0.28125 0.15625 0.50000 1.0000 + Pd Pd324 1.0 0.28125 0.21875 0.50000 1.0000 + Pd Pd325 1.0 0.28125 0.28125 0.50000 1.0000 + Pd Pd326 1.0 0.28125 0.34375 0.50000 1.0000 + Pd Pd327 1.0 0.28125 0.40625 0.50000 1.0000 + Pd Pd328 1.0 0.28125 0.46875 0.50000 1.0000 + Pd Pd329 1.0 0.28125 0.53125 0.50000 1.0000 + Pd Pd330 1.0 0.28125 0.59375 0.50000 1.0000 + Pd Pd331 1.0 0.28125 0.65625 0.50000 1.0000 + Pd Pd332 1.0 0.28125 0.71875 0.50000 1.0000 + Pd Pd333 1.0 0.28125 0.78125 0.50000 1.0000 + Pd Pd334 1.0 0.28125 0.84375 0.50000 1.0000 + Pd Pd335 1.0 0.28125 0.90625 0.50000 1.0000 + Pd Pd336 1.0 0.28125 0.96875 0.50000 1.0000 + Pd Pd337 1.0 0.34375 0.03125 0.50000 1.0000 + Pd Pd338 1.0 0.34375 0.09375 0.50000 1.0000 + Pd Pd339 1.0 0.34375 0.15625 0.50000 1.0000 + Pd Pd340 1.0 0.34375 0.21875 0.50000 1.0000 + Pd Pd341 1.0 0.34375 0.28125 0.50000 1.0000 + Pd Pd342 1.0 0.34375 0.34375 0.50000 1.0000 + Pd Pd343 1.0 0.34375 0.40625 0.50000 1.0000 + Pd Pd344 1.0 0.34375 0.46875 0.50000 1.0000 + Pd Pd345 1.0 0.34375 0.53125 0.50000 1.0000 + Pd Pd346 1.0 0.34375 0.59375 0.50000 1.0000 + Pd Pd347 1.0 0.34375 0.65625 0.50000 1.0000 + Pd Pd348 1.0 0.34375 0.71875 0.50000 1.0000 + Pd Pd349 1.0 0.34375 0.78125 0.50000 1.0000 + Pd Pd350 1.0 0.34375 0.84375 0.50000 1.0000 + Pd Pd351 1.0 0.34375 0.90625 0.50000 1.0000 + Pd Pd352 1.0 0.34375 0.96875 0.50000 1.0000 + Pd Pd353 1.0 0.40625 0.03125 0.50000 1.0000 + Pd Pd354 1.0 0.40625 0.09375 0.50000 1.0000 + Pd Pd355 1.0 0.40625 0.15625 0.50000 1.0000 + Pd Pd356 1.0 0.40625 0.21875 0.50000 1.0000 + Pd Pd357 1.0 0.40625 0.28125 0.50000 1.0000 + Pd Pd358 1.0 0.40625 0.34375 0.50000 1.0000 + Pd Pd359 1.0 0.40625 0.40625 0.50000 1.0000 + Pd Pd360 1.0 0.40625 0.46875 0.50000 1.0000 + Pd Pd361 1.0 0.40625 0.53125 0.50000 1.0000 + Pd Pd362 1.0 0.40625 0.59375 0.50000 1.0000 + Pd Pd363 1.0 0.40625 0.65625 0.50000 1.0000 + Pd Pd364 1.0 0.40625 0.71875 0.50000 1.0000 + Pd Pd365 1.0 0.40625 0.78125 0.50000 1.0000 + Pd Pd366 1.0 0.40625 0.84375 0.50000 1.0000 + Pd Pd367 1.0 0.40625 0.90625 0.50000 1.0000 + Pd Pd368 1.0 0.40625 0.96875 0.50000 1.0000 + Pd Pd369 1.0 0.46875 0.03125 0.50000 1.0000 + Pd Pd370 1.0 0.46875 0.09375 0.50000 1.0000 + Pd Pd371 1.0 0.46875 0.15625 0.50000 1.0000 + Pd Pd372 1.0 0.46875 0.21875 0.50000 1.0000 + Pd Pd373 1.0 0.46875 0.28125 0.50000 1.0000 + Pd Pd374 1.0 0.46875 0.34375 0.50000 1.0000 + Pd Pd375 1.0 0.46875 0.40625 0.50000 1.0000 + Pd Pd376 1.0 0.46875 0.46875 0.50000 1.0000 + Pd Pd377 1.0 0.46875 0.53125 0.50000 1.0000 + Pd Pd378 1.0 0.46875 0.59375 0.50000 1.0000 + Pd Pd379 1.0 0.46875 0.65625 0.50000 1.0000 + Pd Pd380 1.0 0.46875 0.71875 0.50000 1.0000 + Pd Pd381 1.0 0.46875 0.78125 0.50000 1.0000 + Pd Pd382 1.0 0.46875 0.84375 0.50000 1.0000 + Pd Pd383 1.0 0.46875 0.90625 0.50000 1.0000 + Pd Pd384 1.0 0.46875 0.96875 0.50000 1.0000 + Pd Pd385 1.0 0.53125 0.03125 0.50000 1.0000 + Pd Pd386 1.0 0.53125 0.09375 0.50000 1.0000 + Pd Pd387 1.0 0.53125 0.15625 0.50000 1.0000 + Pd Pd388 1.0 0.53125 0.21875 0.50000 1.0000 + Pd Pd389 1.0 0.53125 0.28125 0.50000 1.0000 + Pd Pd390 1.0 0.53125 0.34375 0.50000 1.0000 + Pd Pd391 1.0 0.53125 0.40625 0.50000 1.0000 + Pd Pd392 1.0 0.53125 0.46875 0.50000 1.0000 + Pd Pd393 1.0 0.53125 0.53125 0.50000 1.0000 + Pd Pd394 1.0 0.53125 0.59375 0.50000 1.0000 + Pd Pd395 1.0 0.53125 0.65625 0.50000 1.0000 + Pd Pd396 1.0 0.53125 0.71875 0.50000 1.0000 + Pd Pd397 1.0 0.53125 0.78125 0.50000 1.0000 + Pd Pd398 1.0 0.53125 0.84375 0.50000 1.0000 + Pd Pd399 1.0 0.53125 0.90625 0.50000 1.0000 + Pd Pd400 1.0 0.53125 0.96875 0.50000 1.0000 + Pd Pd401 1.0 0.59375 0.03125 0.50000 1.0000 + Pd Pd402 1.0 0.59375 0.09375 0.50000 1.0000 + Pd Pd403 1.0 0.59375 0.15625 0.50000 1.0000 + Pd Pd404 1.0 0.59375 0.21875 0.50000 1.0000 + Pd Pd405 1.0 0.59375 0.28125 0.50000 1.0000 + Pd Pd406 1.0 0.59375 0.34375 0.50000 1.0000 + Pd Pd407 1.0 0.59375 0.40625 0.50000 1.0000 + Pd Pd408 1.0 0.59375 0.46875 0.50000 1.0000 + Pd Pd409 1.0 0.59375 0.53125 0.50000 1.0000 + Pd Pd410 1.0 0.59375 0.59375 0.50000 1.0000 + Pd Pd411 1.0 0.59375 0.65625 0.50000 1.0000 + Pd Pd412 1.0 0.59375 0.71875 0.50000 1.0000 + Pd Pd413 1.0 0.59375 0.78125 0.50000 1.0000 + Pd Pd414 1.0 0.59375 0.84375 0.50000 1.0000 + Pd Pd415 1.0 0.59375 0.90625 0.50000 1.0000 + Pd Pd416 1.0 0.59375 0.96875 0.50000 1.0000 + Pd Pd417 1.0 0.65625 0.03125 0.50000 1.0000 + Pd Pd418 1.0 0.65625 0.09375 0.50000 1.0000 + Pd Pd419 1.0 0.65625 0.15625 0.50000 1.0000 + Pd Pd420 1.0 0.65625 0.21875 0.50000 1.0000 + Pd Pd421 1.0 0.65625 0.28125 0.50000 1.0000 + Pd Pd422 1.0 0.65625 0.34375 0.50000 1.0000 + Pd Pd423 1.0 0.65625 0.40625 0.50000 1.0000 + Pd Pd424 1.0 0.65625 0.46875 0.50000 1.0000 + Pd Pd425 1.0 0.65625 0.53125 0.50000 1.0000 + Pd Pd426 1.0 0.65625 0.59375 0.50000 1.0000 + Pd Pd427 1.0 0.65625 0.65625 0.50000 1.0000 + Pd Pd428 1.0 0.65625 0.71875 0.50000 1.0000 + Pd Pd429 1.0 0.65625 0.78125 0.50000 1.0000 + Pd Pd430 1.0 0.65625 0.84375 0.50000 1.0000 + Pd Pd431 1.0 0.65625 0.90625 0.50000 1.0000 + Pd Pd432 1.0 0.65625 0.96875 0.50000 1.0000 + Pd Pd433 1.0 0.71875 0.03125 0.50000 1.0000 + Pd Pd434 1.0 0.71875 0.09375 0.50000 1.0000 + Pd Pd435 1.0 0.71875 0.15625 0.50000 1.0000 + Pd Pd436 1.0 0.71875 0.21875 0.50000 1.0000 + Pd Pd437 1.0 0.71875 0.28125 0.50000 1.0000 + Pd Pd438 1.0 0.71875 0.34375 0.50000 1.0000 + Pd Pd439 1.0 0.71875 0.40625 0.50000 1.0000 + Pd Pd440 1.0 0.71875 0.46875 0.50000 1.0000 + Pd Pd441 1.0 0.71875 0.53125 0.50000 1.0000 + Pd Pd442 1.0 0.71875 0.59375 0.50000 1.0000 + Pd Pd443 1.0 0.71875 0.65625 0.50000 1.0000 + Pd Pd444 1.0 0.71875 0.71875 0.50000 1.0000 + Pd Pd445 1.0 0.71875 0.78125 0.50000 1.0000 + Pd Pd446 1.0 0.71875 0.84375 0.50000 1.0000 + Pd Pd447 1.0 0.71875 0.90625 0.50000 1.0000 + Pd Pd448 1.0 0.71875 0.96875 0.50000 1.0000 + Pd Pd449 1.0 0.78125 0.03125 0.50000 1.0000 + Pd Pd450 1.0 0.78125 0.09375 0.50000 1.0000 + Pd Pd451 1.0 0.78125 0.15625 0.50000 1.0000 + Pd Pd452 1.0 0.78125 0.21875 0.50000 1.0000 + Pd Pd453 1.0 0.78125 0.28125 0.50000 1.0000 + Pd Pd454 1.0 0.78125 0.34375 0.50000 1.0000 + Pd Pd455 1.0 0.78125 0.40625 0.50000 1.0000 + Pd Pd456 1.0 0.78125 0.46875 0.50000 1.0000 + Pd Pd457 1.0 0.78125 0.53125 0.50000 1.0000 + Pd Pd458 1.0 0.78125 0.59375 0.50000 1.0000 + Pd Pd459 1.0 0.78125 0.65625 0.50000 1.0000 + Pd Pd460 1.0 0.78125 0.71875 0.50000 1.0000 + Pd Pd461 1.0 0.78125 0.78125 0.50000 1.0000 + Pd Pd462 1.0 0.78125 0.84375 0.50000 1.0000 + Pd Pd463 1.0 0.78125 0.90625 0.50000 1.0000 + Pd Pd464 1.0 0.78125 0.96875 0.50000 1.0000 + Pd Pd465 1.0 0.84375 0.03125 0.50000 1.0000 + Pd Pd466 1.0 0.84375 0.09375 0.50000 1.0000 + Pd Pd467 1.0 0.84375 0.15625 0.50000 1.0000 + Pd Pd468 1.0 0.84375 0.21875 0.50000 1.0000 + Pd Pd469 1.0 0.84375 0.28125 0.50000 1.0000 + Pd Pd470 1.0 0.84375 0.34375 0.50000 1.0000 + Pd Pd471 1.0 0.84375 0.40625 0.50000 1.0000 + Pd Pd472 1.0 0.84375 0.46875 0.50000 1.0000 + Pd Pd473 1.0 0.84375 0.53125 0.50000 1.0000 + Pd Pd474 1.0 0.84375 0.59375 0.50000 1.0000 + Pd Pd475 1.0 0.84375 0.65625 0.50000 1.0000 + Pd Pd476 1.0 0.84375 0.71875 0.50000 1.0000 + Pd Pd477 1.0 0.84375 0.78125 0.50000 1.0000 + Pd Pd478 1.0 0.84375 0.84375 0.50000 1.0000 + Pd Pd479 1.0 0.84375 0.90625 0.50000 1.0000 + Pd Pd480 1.0 0.84375 0.96875 0.50000 1.0000 + Pd Pd481 1.0 0.90625 0.03125 0.50000 1.0000 + Pd Pd482 1.0 0.90625 0.09375 0.50000 1.0000 + Pd Pd483 1.0 0.90625 0.15625 0.50000 1.0000 + Pd Pd484 1.0 0.90625 0.21875 0.50000 1.0000 + Pd Pd485 1.0 0.90625 0.28125 0.50000 1.0000 + Pd Pd486 1.0 0.90625 0.34375 0.50000 1.0000 + Pd Pd487 1.0 0.90625 0.40625 0.50000 1.0000 + Pd Pd488 1.0 0.90625 0.46875 0.50000 1.0000 + Pd Pd489 1.0 0.90625 0.53125 0.50000 1.0000 + Pd Pd490 1.0 0.90625 0.59375 0.50000 1.0000 + Pd Pd491 1.0 0.90625 0.65625 0.50000 1.0000 + Pd Pd492 1.0 0.90625 0.71875 0.50000 1.0000 + Pd Pd493 1.0 0.90625 0.78125 0.50000 1.0000 + Pd Pd494 1.0 0.90625 0.84375 0.50000 1.0000 + Pd Pd495 1.0 0.90625 0.90625 0.50000 1.0000 + Pd Pd496 1.0 0.90625 0.96875 0.50000 1.0000 + Pd Pd497 1.0 0.96875 0.03125 0.50000 1.0000 + Pd Pd498 1.0 0.96875 0.09375 0.50000 1.0000 + Pd Pd499 1.0 0.96875 0.15625 0.50000 1.0000 + Pd Pd500 1.0 0.96875 0.21875 0.50000 1.0000 + Pd Pd501 1.0 0.96875 0.28125 0.50000 1.0000 + Pd Pd502 1.0 0.96875 0.34375 0.50000 1.0000 + Pd Pd503 1.0 0.96875 0.40625 0.50000 1.0000 + Pd Pd504 1.0 0.96875 0.46875 0.50000 1.0000 + Pd Pd505 1.0 0.96875 0.53125 0.50000 1.0000 + Pd Pd506 1.0 0.96875 0.59375 0.50000 1.0000 + Pd Pd507 1.0 0.96875 0.65625 0.50000 1.0000 + Pd Pd508 1.0 0.96875 0.71875 0.50000 1.0000 + Pd Pd509 1.0 0.96875 0.78125 0.50000 1.0000 + Pd Pd510 1.0 0.96875 0.84375 0.50000 1.0000 + Pd Pd511 1.0 0.96875 0.90625 0.50000 1.0000 + Pd Pd512 1.0 0.96875 0.96875 0.50000 1.0000 + F F1 1.0 0.01529 0.01576 0.32657 1.0000 + F F2 1.0 0.01529 0.07826 0.32657 1.0000 + F F3 1.0 0.01529 0.14076 0.32657 1.0000 + F F4 1.0 0.01529 0.20326 0.32657 1.0000 + F F5 1.0 0.01529 0.26576 0.32657 1.0000 + F F6 1.0 0.01529 0.32826 0.32657 1.0000 + F F7 1.0 0.01529 0.39076 0.32657 1.0000 + F F8 1.0 0.01529 0.45326 0.32657 1.0000 + F F9 1.0 0.01529 0.51576 0.32657 1.0000 + F F10 1.0 0.01529 0.57826 0.32657 1.0000 + F F11 1.0 0.01529 0.64076 0.32657 1.0000 + F F12 1.0 0.01529 0.70326 0.32657 1.0000 + F F13 1.0 0.01529 0.76576 0.32657 1.0000 + F F14 1.0 0.01529 0.82826 0.32657 1.0000 + F F15 1.0 0.01529 0.89076 0.32657 1.0000 + F F16 1.0 0.01529 0.95326 0.32657 1.0000 + F F17 1.0 0.07779 0.01576 0.32657 1.0000 + F F18 1.0 0.07779 0.07826 0.32657 1.0000 + F F19 1.0 0.07779 0.14076 0.32657 1.0000 + F F20 1.0 0.07779 0.20326 0.32657 1.0000 + F F21 1.0 0.07779 0.26576 0.32657 1.0000 + F F22 1.0 0.07779 0.32826 0.32657 1.0000 + F F23 1.0 0.07779 0.39076 0.32657 1.0000 + F F24 1.0 0.07779 0.45326 0.32657 1.0000 + F F25 1.0 0.07779 0.51576 0.32657 1.0000 + F F26 1.0 0.07779 0.57826 0.32657 1.0000 + F F27 1.0 0.07779 0.64076 0.32657 1.0000 + F F28 1.0 0.07779 0.70326 0.32657 1.0000 + F F29 1.0 0.07779 0.76576 0.32657 1.0000 + F F30 1.0 0.07779 0.82826 0.32657 1.0000 + F F31 1.0 0.07779 0.89076 0.32657 1.0000 + F F32 1.0 0.07779 0.95326 0.32657 1.0000 + F F33 1.0 0.14029 0.01576 0.32657 1.0000 + F F34 1.0 0.14029 0.07826 0.32657 1.0000 + F F35 1.0 0.14029 0.14076 0.32657 1.0000 + F F36 1.0 0.14029 0.20326 0.32657 1.0000 + F F37 1.0 0.14029 0.26576 0.32657 1.0000 + F F38 1.0 0.14029 0.32826 0.32657 1.0000 + F F39 1.0 0.14029 0.39076 0.32657 1.0000 + F F40 1.0 0.14029 0.45326 0.32657 1.0000 + F F41 1.0 0.14029 0.51576 0.32657 1.0000 + F F42 1.0 0.14029 0.57826 0.32657 1.0000 + F F43 1.0 0.14029 0.64076 0.32657 1.0000 + F F44 1.0 0.14029 0.70326 0.32657 1.0000 + F F45 1.0 0.14029 0.76576 0.32657 1.0000 + F F46 1.0 0.14029 0.82826 0.32657 1.0000 + F F47 1.0 0.14029 0.89076 0.32657 1.0000 + F F48 1.0 0.14029 0.95326 0.32657 1.0000 + F F49 1.0 0.20279 0.01576 0.32657 1.0000 + F F50 1.0 0.20279 0.07826 0.32657 1.0000 + F F51 1.0 0.20279 0.14076 0.32657 1.0000 + F F52 1.0 0.20279 0.20326 0.32657 1.0000 + F F53 1.0 0.20279 0.26576 0.32657 1.0000 + F F54 1.0 0.20279 0.32826 0.32657 1.0000 + F F55 1.0 0.20279 0.39076 0.32657 1.0000 + F F56 1.0 0.20279 0.45326 0.32657 1.0000 + F F57 1.0 0.20279 0.51576 0.32657 1.0000 + F F58 1.0 0.20279 0.57826 0.32657 1.0000 + F F59 1.0 0.20279 0.64076 0.32657 1.0000 + F F60 1.0 0.20279 0.70326 0.32657 1.0000 + F F61 1.0 0.20279 0.76576 0.32657 1.0000 + F F62 1.0 0.20279 0.82826 0.32657 1.0000 + F F63 1.0 0.20279 0.89076 0.32657 1.0000 + F F64 1.0 0.20279 0.95326 0.32657 1.0000 + F F65 1.0 0.26529 0.01576 0.32657 1.0000 + F F66 1.0 0.26529 0.07826 0.32657 1.0000 + F F67 1.0 0.26529 0.14076 0.32657 1.0000 + F F68 1.0 0.26529 0.20326 0.32657 1.0000 + F F69 1.0 0.26529 0.26576 0.32657 1.0000 + F F70 1.0 0.26529 0.32826 0.32657 1.0000 + F F71 1.0 0.26529 0.39076 0.32657 1.0000 + F F72 1.0 0.26529 0.45326 0.32657 1.0000 + F F73 1.0 0.26529 0.51576 0.32657 1.0000 + F F74 1.0 0.26529 0.57826 0.32657 1.0000 + F F75 1.0 0.26529 0.64076 0.32657 1.0000 + F F76 1.0 0.26529 0.70326 0.32657 1.0000 + F F77 1.0 0.26529 0.76576 0.32657 1.0000 + F F78 1.0 0.26529 0.82826 0.32657 1.0000 + F F79 1.0 0.26529 0.89076 0.32657 1.0000 + F F80 1.0 0.26529 0.95326 0.32657 1.0000 + F F81 1.0 0.32779 0.01576 0.32657 1.0000 + F F82 1.0 0.32779 0.07826 0.32657 1.0000 + F F83 1.0 0.32779 0.14076 0.32657 1.0000 + F F84 1.0 0.32779 0.20326 0.32657 1.0000 + F F85 1.0 0.32779 0.26576 0.32657 1.0000 + F F86 1.0 0.32779 0.32826 0.32657 1.0000 + F F87 1.0 0.32779 0.39076 0.32657 1.0000 + F F88 1.0 0.32779 0.45326 0.32657 1.0000 + F F89 1.0 0.32779 0.51576 0.32657 1.0000 + F F90 1.0 0.32779 0.57826 0.32657 1.0000 + F F91 1.0 0.32779 0.64076 0.32657 1.0000 + F F92 1.0 0.32779 0.70326 0.32657 1.0000 + F F93 1.0 0.32779 0.76576 0.32657 1.0000 + F F94 1.0 0.32779 0.82826 0.32657 1.0000 + F F95 1.0 0.32779 0.89076 0.32657 1.0000 + F F96 1.0 0.32779 0.95326 0.32657 1.0000 + F F97 1.0 0.39029 0.01576 0.32657 1.0000 + F F98 1.0 0.39029 0.07826 0.32657 1.0000 + F F99 1.0 0.39029 0.14076 0.32657 1.0000 + F F100 1.0 0.39029 0.20326 0.32657 1.0000 + F F101 1.0 0.39029 0.26576 0.32657 1.0000 + F F102 1.0 0.39029 0.32826 0.32657 1.0000 + F F103 1.0 0.39029 0.39076 0.32657 1.0000 + F F104 1.0 0.39029 0.45326 0.32657 1.0000 + F F105 1.0 0.39029 0.51576 0.32657 1.0000 + F F106 1.0 0.39029 0.57826 0.32657 1.0000 + F F107 1.0 0.39029 0.64076 0.32657 1.0000 + F F108 1.0 0.39029 0.70326 0.32657 1.0000 + F F109 1.0 0.39029 0.76576 0.32657 1.0000 + F F110 1.0 0.39029 0.82826 0.32657 1.0000 + F F111 1.0 0.39029 0.89076 0.32657 1.0000 + F F112 1.0 0.39029 0.95326 0.32657 1.0000 + F F113 1.0 0.45279 0.01576 0.32657 1.0000 + F F114 1.0 0.45279 0.07826 0.32657 1.0000 + F F115 1.0 0.45279 0.14076 0.32657 1.0000 + F F116 1.0 0.45279 0.20326 0.32657 1.0000 + F F117 1.0 0.45279 0.26576 0.32657 1.0000 + F F118 1.0 0.45279 0.32826 0.32657 1.0000 + F F119 1.0 0.45279 0.39076 0.32657 1.0000 + F F120 1.0 0.45279 0.45326 0.32657 1.0000 + F F121 1.0 0.45279 0.51576 0.32657 1.0000 + F F122 1.0 0.45279 0.57826 0.32657 1.0000 + F F123 1.0 0.45279 0.64076 0.32657 1.0000 + F F124 1.0 0.45279 0.70326 0.32657 1.0000 + F F125 1.0 0.45279 0.76576 0.32657 1.0000 + F F126 1.0 0.45279 0.82826 0.32657 1.0000 + F F127 1.0 0.45279 0.89076 0.32657 1.0000 + F F128 1.0 0.45279 0.95326 0.32657 1.0000 + F F129 1.0 0.51529 0.01576 0.32657 1.0000 + F F130 1.0 0.51529 0.07826 0.32657 1.0000 + F F131 1.0 0.51529 0.14076 0.32657 1.0000 + F F132 1.0 0.51529 0.20326 0.32657 1.0000 + F F133 1.0 0.51529 0.26576 0.32657 1.0000 + F F134 1.0 0.51529 0.32826 0.32657 1.0000 + F F135 1.0 0.51529 0.39076 0.32657 1.0000 + F F136 1.0 0.51529 0.45326 0.32657 1.0000 + F F137 1.0 0.51529 0.51576 0.32657 1.0000 + F F138 1.0 0.51529 0.57826 0.32657 1.0000 + F F139 1.0 0.51529 0.64076 0.32657 1.0000 + F F140 1.0 0.51529 0.70326 0.32657 1.0000 + F F141 1.0 0.51529 0.76576 0.32657 1.0000 + F F142 1.0 0.51529 0.82826 0.32657 1.0000 + F F143 1.0 0.51529 0.89076 0.32657 1.0000 + F F144 1.0 0.51529 0.95326 0.32657 1.0000 + F F145 1.0 0.57779 0.01576 0.32657 1.0000 + F F146 1.0 0.57779 0.07826 0.32657 1.0000 + F F147 1.0 0.57779 0.14076 0.32657 1.0000 + F F148 1.0 0.57779 0.20326 0.32657 1.0000 + F F149 1.0 0.57779 0.26576 0.32657 1.0000 + F F150 1.0 0.57779 0.32826 0.32657 1.0000 + F F151 1.0 0.57779 0.39076 0.32657 1.0000 + F F152 1.0 0.57779 0.45326 0.32657 1.0000 + F F153 1.0 0.57779 0.51576 0.32657 1.0000 + F F154 1.0 0.57779 0.57826 0.32657 1.0000 + F F155 1.0 0.57779 0.64076 0.32657 1.0000 + F F156 1.0 0.57779 0.70326 0.32657 1.0000 + F F157 1.0 0.57779 0.76576 0.32657 1.0000 + F F158 1.0 0.57779 0.82826 0.32657 1.0000 + F F159 1.0 0.57779 0.89076 0.32657 1.0000 + F F160 1.0 0.57779 0.95326 0.32657 1.0000 + F F161 1.0 0.64029 0.01576 0.32657 1.0000 + F F162 1.0 0.64029 0.07826 0.32657 1.0000 + F F163 1.0 0.64029 0.14076 0.32657 1.0000 + F F164 1.0 0.64029 0.20326 0.32657 1.0000 + F F165 1.0 0.64029 0.26576 0.32657 1.0000 + F F166 1.0 0.64029 0.32826 0.32657 1.0000 + F F167 1.0 0.64029 0.39076 0.32657 1.0000 + F F168 1.0 0.64029 0.45326 0.32657 1.0000 + F F169 1.0 0.64029 0.51576 0.32657 1.0000 + F F170 1.0 0.64029 0.57826 0.32657 1.0000 + F F171 1.0 0.64029 0.64076 0.32657 1.0000 + F F172 1.0 0.64029 0.70326 0.32657 1.0000 + F F173 1.0 0.64029 0.76576 0.32657 1.0000 + F F174 1.0 0.64029 0.82826 0.32657 1.0000 + F F175 1.0 0.64029 0.89076 0.32657 1.0000 + F F176 1.0 0.64029 0.95326 0.32657 1.0000 + F F177 1.0 0.70279 0.01576 0.32657 1.0000 + F F178 1.0 0.70279 0.07826 0.32657 1.0000 + F F179 1.0 0.70279 0.14076 0.32657 1.0000 + F F180 1.0 0.70279 0.20326 0.32657 1.0000 + F F181 1.0 0.70279 0.26576 0.32657 1.0000 + F F182 1.0 0.70279 0.32826 0.32657 1.0000 + F F183 1.0 0.70279 0.39076 0.32657 1.0000 + F F184 1.0 0.70279 0.45326 0.32657 1.0000 + F F185 1.0 0.70279 0.51576 0.32657 1.0000 + F F186 1.0 0.70279 0.57826 0.32657 1.0000 + F F187 1.0 0.70279 0.64076 0.32657 1.0000 + F F188 1.0 0.70279 0.70326 0.32657 1.0000 + F F189 1.0 0.70279 0.76576 0.32657 1.0000 + F F190 1.0 0.70279 0.82826 0.32657 1.0000 + F F191 1.0 0.70279 0.89076 0.32657 1.0000 + F F192 1.0 0.70279 0.95326 0.32657 1.0000 + F F193 1.0 0.76529 0.01576 0.32657 1.0000 + F F194 1.0 0.76529 0.07826 0.32657 1.0000 + F F195 1.0 0.76529 0.14076 0.32657 1.0000 + F F196 1.0 0.76529 0.20326 0.32657 1.0000 + F F197 1.0 0.76529 0.26576 0.32657 1.0000 + F F198 1.0 0.76529 0.32826 0.32657 1.0000 + F F199 1.0 0.76529 0.39076 0.32657 1.0000 + F F200 1.0 0.76529 0.45326 0.32657 1.0000 + F F201 1.0 0.76529 0.51576 0.32657 1.0000 + F F202 1.0 0.76529 0.57826 0.32657 1.0000 + F F203 1.0 0.76529 0.64076 0.32657 1.0000 + F F204 1.0 0.76529 0.70326 0.32657 1.0000 + F F205 1.0 0.76529 0.76576 0.32657 1.0000 + F F206 1.0 0.76529 0.82826 0.32657 1.0000 + F F207 1.0 0.76529 0.89076 0.32657 1.0000 + F F208 1.0 0.76529 0.95326 0.32657 1.0000 + F F209 1.0 0.82779 0.01576 0.32657 1.0000 + F F210 1.0 0.82779 0.07826 0.32657 1.0000 + F F211 1.0 0.82779 0.14076 0.32657 1.0000 + F F212 1.0 0.82779 0.20326 0.32657 1.0000 + F F213 1.0 0.82779 0.26576 0.32657 1.0000 + F F214 1.0 0.82779 0.32826 0.32657 1.0000 + F F215 1.0 0.82779 0.39076 0.32657 1.0000 + F F216 1.0 0.82779 0.45326 0.32657 1.0000 + F F217 1.0 0.82779 0.51576 0.32657 1.0000 + F F218 1.0 0.82779 0.57826 0.32657 1.0000 + F F219 1.0 0.82779 0.64076 0.32657 1.0000 + F F220 1.0 0.82779 0.70326 0.32657 1.0000 + F F221 1.0 0.82779 0.76576 0.32657 1.0000 + F F222 1.0 0.82779 0.82826 0.32657 1.0000 + F F223 1.0 0.82779 0.89076 0.32657 1.0000 + F F224 1.0 0.82779 0.95326 0.32657 1.0000 + F F225 1.0 0.89029 0.01576 0.32657 1.0000 + F F226 1.0 0.89029 0.07826 0.32657 1.0000 + F F227 1.0 0.89029 0.14076 0.32657 1.0000 + F F228 1.0 0.89029 0.20326 0.32657 1.0000 + F F229 1.0 0.89029 0.26576 0.32657 1.0000 + F F230 1.0 0.89029 0.32826 0.32657 1.0000 + F F231 1.0 0.89029 0.39076 0.32657 1.0000 + F F232 1.0 0.89029 0.45326 0.32657 1.0000 + F F233 1.0 0.89029 0.51576 0.32657 1.0000 + F F234 1.0 0.89029 0.57826 0.32657 1.0000 + F F235 1.0 0.89029 0.64076 0.32657 1.0000 + F F236 1.0 0.89029 0.70326 0.32657 1.0000 + F F237 1.0 0.89029 0.76576 0.32657 1.0000 + F F238 1.0 0.89029 0.82826 0.32657 1.0000 + F F239 1.0 0.89029 0.89076 0.32657 1.0000 + F F240 1.0 0.89029 0.95326 0.32657 1.0000 + F F241 1.0 0.95279 0.01576 0.32657 1.0000 + F F242 1.0 0.95279 0.07826 0.32657 1.0000 + F F243 1.0 0.95279 0.14076 0.32657 1.0000 + F F244 1.0 0.95279 0.20326 0.32657 1.0000 + F F245 1.0 0.95279 0.26576 0.32657 1.0000 + F F246 1.0 0.95279 0.32826 0.32657 1.0000 + F F247 1.0 0.95279 0.39076 0.32657 1.0000 + F F248 1.0 0.95279 0.45326 0.32657 1.0000 + F F249 1.0 0.95279 0.51576 0.32657 1.0000 + F F250 1.0 0.95279 0.57826 0.32657 1.0000 + F F251 1.0 0.95279 0.64076 0.32657 1.0000 + F F252 1.0 0.95279 0.70326 0.32657 1.0000 + F F253 1.0 0.95279 0.76576 0.32657 1.0000 + F F254 1.0 0.95279 0.82826 0.32657 1.0000 + F F255 1.0 0.95279 0.89076 0.32657 1.0000 + F F256 1.0 0.95279 0.95326 0.32657 1.0000 + F F257 1.0 0.04654 0.01549 0.67343 1.0000 + F F258 1.0 0.04654 0.07799 0.67343 1.0000 + F F259 1.0 0.04654 0.14049 0.67343 1.0000 + F F260 1.0 0.04654 0.20299 0.67343 1.0000 + F F261 1.0 0.04654 0.26549 0.67343 1.0000 + F F262 1.0 0.04654 0.32799 0.67343 1.0000 + F F263 1.0 0.04654 0.39049 0.67343 1.0000 + F F264 1.0 0.04654 0.45299 0.67343 1.0000 + F F265 1.0 0.04654 0.51549 0.67343 1.0000 + F F266 1.0 0.04654 0.57799 0.67343 1.0000 + F F267 1.0 0.04654 0.64049 0.67343 1.0000 + F F268 1.0 0.04654 0.70299 0.67343 1.0000 + F F269 1.0 0.04654 0.76549 0.67343 1.0000 + F F270 1.0 0.04654 0.82799 0.67343 1.0000 + F F271 1.0 0.04654 0.89049 0.67343 1.0000 + F F272 1.0 0.04654 0.95299 0.67343 1.0000 + F F273 1.0 0.10904 0.01549 0.67343 1.0000 + F F274 1.0 0.10904 0.07799 0.67343 1.0000 + F F275 1.0 0.10904 0.14049 0.67343 1.0000 + F F276 1.0 0.10904 0.20299 0.67343 1.0000 + F F277 1.0 0.10904 0.26549 0.67343 1.0000 + F F278 1.0 0.10904 0.32799 0.67343 1.0000 + F F279 1.0 0.10904 0.39049 0.67343 1.0000 + F F280 1.0 0.10904 0.45299 0.67343 1.0000 + F F281 1.0 0.10904 0.51549 0.67343 1.0000 + F F282 1.0 0.10904 0.57799 0.67343 1.0000 + F F283 1.0 0.10904 0.64049 0.67343 1.0000 + F F284 1.0 0.10904 0.70299 0.67343 1.0000 + F F285 1.0 0.10904 0.76549 0.67343 1.0000 + F F286 1.0 0.10904 0.82799 0.67343 1.0000 + F F287 1.0 0.10904 0.89049 0.67343 1.0000 + F F288 1.0 0.10904 0.95299 0.67343 1.0000 + F F289 1.0 0.17154 0.01549 0.67343 1.0000 + F F290 1.0 0.17154 0.07799 0.67343 1.0000 + F F291 1.0 0.17154 0.14049 0.67343 1.0000 + F F292 1.0 0.17154 0.20299 0.67343 1.0000 + F F293 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