Number of particles = 1375 A = 1 Angstrom (basic length-scale) H0(1,1) = 33.5539 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 94.7836 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.11474 A .NO_VELOCITY. entry_count = 7 auxiliary[0] = id auxiliary[1] = v_mass_metal auxiliary[2] = v_csym_metal auxiliary[3] = v_particle_eng_metal 63.546000 Cu 0.0330234 0.00691328 0.75 820 63.546 6.86739 -3.44333 63.546000 Cu 0.0330234 0.00691328 0.25 821 63.546 6.86739 -3.44333 63.546000 Cu 0.0865048 0.019115 1 823 63.546 7.18063 -3.48833 63.546000 Cu 0.0865047 0.0191148 0.5 828 63.546 7.18059 -3.48833 63.546000 Cu 0.0238849 0.033175 0 822 63.546 5.22849 -3.48049 63.546000 Cu 0.0238848 0.0331749 0.5 826 63.546 5.22849 -3.48049 63.546000 Cu 0.15086 0.0216711 0.75 876 63.546 5.84362 -3.45754 63.546000 Cu 0.15086 0.0216711 0.25 888 63.546 5.84362 -3.45754 63.546000 Cu 0.221119 0.0112547 0.749999 884 63.546 9.40131 -3.45023 63.546000 Cu 0.221119 0.0112547 0.250001 885 63.546 9.40131 -3.45023 63.546000 Cu 0.209582 0.0323558 2.54371e-19 886 63.546 6.2955 -3.46078 63.546000 Cu 0.283014 0.00690979 5.8692e-16 887 63.546 6.87015 -3.44349 63.546000 Cu 0.209581 0.0323558 0.5 890 63.546 6.29552 -3.46077 63.546000 Cu 0.283014 0.00690992 0.5 891 63.546 6.87013 -3.44349 63.546000 Cu 0.27389 0.0331667 0.75 951 63.546 5.22568 -3.48087 63.546000 Cu 0.27389 0.0331667 0.25 952 63.546 5.22568 -3.48087 63.546000 Cu 0.336505 0.0190979 0.75 950 63.546 7.1777 -3.48824 63.546000 Cu 0.336505 0.0190979 0.25 958 63.546 7.1777 -3.48824 63.546000 Cu 0.400867 0.0216459 8.64015e-17 698 63.546 5.84461 -3.4576 63.546000 Cu 0.471128 0.0112268 6.94773e-16 699 63.546 9.40165 -3.45007 63.546000 Cu 0.400867 0.0216458 0.5 700 63.546 5.84466 -3.4576 63.546000 Cu 0.471128 0.0112269 0.5 701 63.546 9.40164 -3.45007 63.546000 Cu 0.459591 0.032328 0.750001 705 63.546 6.29733 -3.4608 63.546000 Cu 0.459591 0.032328 0.249999 706 63.546 6.29733 -3.4608 63.546000 Cu 0.533021 0.00688716 0.75 704 63.546 6.87 -3.4435 63.546000 Cu 0.586513 0.0190773 2.77875e-15 712 63.546 7.17426 -3.48826 63.546000 Cu 0.533021 0.00688716 0.25 714 63.546 6.87 -3.4435 63.546000 Cu 0.586513 0.0190773 0.5 716 63.546 7.17431 -3.48826 63.546000 Cu 0.523903 0.0331425 2.55474e-16 708 63.546 5.22576 -3.4808 63.546000 Cu 0.523903 0.0331426 0.5 715 63.546 5.22577 -3.4808 63.546000 Cu 0.650873 0.0216399 0.75 733 63.546 5.84531 -3.45772 63.546000 Cu 0.650873 0.0216399 0.25 734 63.546 5.84531 -3.45772 63.546000 Cu 0.721135 0.01123 0.750001 732 63.546 9.4023 -3.45014 63.546000 Cu 0.709599 0.0323348 3.4781e-16 736 63.546 6.30103 -3.46092 63.546000 Cu 0.783031 0.00689543 4.34381e-16 740 63.546 6.86801 -3.44336 63.546000 Cu 0.721135 0.01123 0.249999 741 63.546 9.4023 -3.45014 63.546000 Cu 0.709598 0.0323347 0.5 742 63.546 6.30107 -3.46092 63.546000 Cu 0.78303 0.00689562 0.5 743 63.546 6.8682 -3.44336 63.546000 Cu 0.773908 0.0331567 0.75 762 63.546 5.22661 -3.48047 63.546000 Cu 0.773908 0.0331567 0.25 775 63.546 5.22661 -3.48047 63.546000 Cu 0.836518 0.0190951 0.749999 771 63.546 7.17673 -3.4884 63.546000 Cu 0.836518 0.0190951 0.250001 772 63.546 7.17673 -3.4884 63.546000 Cu 0.900868 0.02166 8.67406e-17 774 63.546 5.84558 -3.45725 63.546000 Cu 0.971125 0.0112478 1 778 63.546 9.4009 -3.4503 63.546000 Cu 0.900867 0.0216602 0.5 780 63.546 5.8455 -3.45725 63.546000 Cu 0.971125 0.011248 0.5 781 63.546 9.40087 -3.4503 63.546000 Cu 0.959582 0.0323546 0.750001 812 63.546 6.2993 -3.46107 63.546000 Cu 0.959582 0.0323546 0.249999 824 63.546 6.2993 -3.46107 63.546000 Cu 0.0301615 0.0575862 0.75 868 63.546 0.312659 -3.51824 63.546000 Cu 0.0885597 0.0413413 0.749999 877 63.546 0.306705 -3.5077 63.546000 Cu 0.0885597 0.0413413 0.250001 878 63.546 0.306705 -3.5077 63.546000 Cu 0.0935907 0.0645907 2.86507e-16 879 63.546 0.0520662 -3.53826 63.546000 Cu 0.0301615 0.0575862 0.25 881 63.546 0.312659 -3.51824 63.546000 Cu 0.0935909 0.0645906 0.5 883 63.546 0.0520443 -3.53826 63.546000 Cu 0.150582 0.0468223 5.21122e-16 880 63.546 0.38476 -3.49751 63.546000 Cu 0.150582 0.0468224 0.5 889 63.546 0.384751 -3.4975 63.546000 Cu 0.216601 0.0541651 0.749999 942 63.546 0.53564 -3.49872 63.546000 Cu 0.280168 0.0575662 1 953 63.546 0.31336 -3.51844 63.546000 Cu 0.216601 0.0541651 0.250001 955 63.546 0.53564 -3.49872 63.546000 Cu 0.280167 0.0575661 0.5 957 63.546 0.313433 -3.51844 63.546000 Cu 0.33857 0.0413196 1 954 63.546 0.306024 -3.50764 63.546000 Cu 0.33857 0.0413197 0.5 959 63.546 0.306059 -3.50764 63.546000 Cu 0.343603 0.0645627 0.750001 1022 63.546 0.0518397 -3.53825 63.546000 Cu 0.343603 0.0645627 0.249999 1023 63.546 0.0518397 -3.53825 63.546000 Cu 0.400596 0.0467934 0.750001 702 63.546 0.385292 -3.49749 63.546000 Cu 0.466619 0.0541381 1 707 63.546 0.534765 -3.49883 63.546000 Cu 0.400596 0.0467934 0.249999 709 63.546 0.385292 -3.49749 63.546000 Cu 0.466619 0.054138 0.5 711 63.546 0.534749 -3.49883 63.546000 Cu 0.588587 0.0413019 0.75 724 63.546 0.304649 -3.50778 63.546000 Cu 0.530192 0.0575477 0.749999 725 63.546 0.313784 -3.51832 63.546000 Cu 0.530192 0.0575477 0.250001 726 63.546 0.313784 -3.51832 63.546000 Cu 0.593625 0.0645573 1.41176e-16 728 63.546 0.0518277 -3.53826 63.546000 Cu 0.588587 0.0413019 0.25 737 63.546 0.304649 -3.50778 63.546000 Cu 0.593625 0.0645573 0.5 738 63.546 0.0518294 -3.53826 63.546000 Cu 0.650605 0.0467932 7.12579e-16 735 63.546 0.385195 -3.49729 63.546000 Cu 0.650605 0.0467932 0.5 739 63.546 0.38521 -3.49729 63.546000 Cu 0.716634 0.0541476 0.749999 763 63.546 0.534102 -3.49896 63.546000 Cu 0.716634 0.0541476 0.250001 764 63.546 0.534102 -3.49896 63.546000 Cu 0.780198 0.0575724 1.37496e-15 766 63.546 0.311605 -3.5182 63.546000 Cu 0.780198 0.0575723 0.5 776 63.546 0.311623 -3.51819 63.546000 Cu 0.838587 0.0413239 1 773 63.546 0.304704 -3.50782 63.546000 Cu 0.838587 0.041324 0.5 777 63.546 0.304727 -3.50782 63.546000 Cu 0.843617 0.0645836 0.75 804 63.546 0.051663 -3.53828 63.546000 Cu 0.843617 0.0645836 0.25 817 63.546 0.051663 -3.53828 63.546000 Cu 0.900596 0.0468224 0.749999 813 63.546 0.383693 -3.49729 63.546000 Cu 0.900596 0.0468224 0.250001 814 63.546 0.383693 -3.49729 63.546000 Cu 0.966603 0.0541708 2.2578e-15 816 63.546 0.534197 -3.49909 63.546000 Cu 0.966603 0.0541709 0.5 825 63.546 0.534253 -3.49909 63.546000 Cu 0.0358757 0.0814324 1.69581e-19 872 63.546 0.0633043 -3.53462 63.546000 Cu 0.0358754 0.0814323 0.5 882 63.546 0.0633091 -3.53463 63.546000 Cu 0.100006 0.0876992 0.749997 934 63.546 0.00620436 -3.53931 63.546000 Cu 0.157714 0.0701408 0.75 943 63.546 0.0438518 -3.53706 63.546000 Cu 0.157714 0.0701408 0.25 944 63.546 0.0438518 -3.53706 63.546000 Cu 0.164051 0.0934593 7.1826e-16 945 63.546 0.00660932 -3.53911 63.546000 Cu 0.100006 0.0876992 0.250003 947 63.546 0.00620436 -3.53931 63.546000 Cu 0.164051 0.0934595 0.5 949 63.546 0.00661418 -3.53911 63.546000 Cu 0.222255 0.0766906 1 946 63.546 0.11507 -3.52996 63.546000 Cu 0.222255 0.076691 0.5 956 63.546 0.115143 -3.52996 63.546000 Cu 0.285885 0.0814037 0.750001 1014 63.546 0.0636258 -3.53472 63.546000 Cu 0.228288 0.0995746 0.750003 1015 63.546 0.0240821 -3.53785 63.546000 Cu 0.228288 0.0995746 0.249997 1016 63.546 0.0240821 -3.53785 63.546000 Cu 0.285885 0.0814037 0.249999 1025 63.546 0.0636258 -3.53472 63.546000 Cu 0.350034 0.0876676 1 1024 63.546 0.00612274 -3.53929 63.546000 Cu 0.350033 0.0876673 0.5 1027 63.546 0.00611289 -3.53929 63.546000 Cu 0.407736 0.0701113 1.73736e-16 703 63.546 0.0441863 -3.53702 63.546000 Cu 0.407736 0.0701111 0.5 710 63.546 0.044205 -3.53702 63.546000 Cu 0.472288 0.0766695 0.75 718 63.546 0.114978 -3.53007 63.546000 Cu 0.414091 0.0934327 0.749999 719 63.546 0.00673834 -3.53907 63.546000 Cu 0.414091 0.0934327 0.250001 720 63.546 0.00673834 -3.53907 63.546000 Cu 0.478336 0.0995638 2.53354e-16 722 63.546 0.0242101 -3.53792 63.546000 Cu 0.472288 0.0766695 0.25 729 63.546 0.114978 -3.53007 63.546000 Cu 0.478336 0.0995635 0.5 730 63.546 0.0241862 -3.53792 63.546000 Cu 0.535917 0.0813958 1.73651e-16 727 63.546 0.0635887 -3.5346 63.546000 Cu 0.535917 0.081396 0.5 731 63.546 0.0635635 -3.5346 63.546000 Cu 0.657755 0.0701185 0.75 754 63.546 0.0441536 -3.53697 63.546000 Cu 0.60006 0.0876734 0.75 755 63.546 0.00613749 -3.53931 63.546000 Cu 0.60006 0.0876734 0.25 756 63.546 0.00613749 -3.53931 63.546000 Cu 0.664104 0.0934521 5.21292e-16 758 63.546 0.00662131 -3.53906 63.546000 Cu 0.657755 0.0701185 0.25 767 63.546 0.0441536 -3.53697 63.546000 Cu 0.664104 0.093452 0.5 768 63.546 0.00662257 -3.53906 63.546000 Cu 0.722298 0.0766863 1.69581e-19 765 63.546 0.114332 -3.53022 63.546000 Cu 0.722298 0.0766861 0.5 769 63.546 0.114314 -3.53022 63.546000 Cu 0.728329 0.0995898 0.749998 796 63.546 0.0240177 -3.53801 63.546000 Cu 0.785916 0.0814255 0.75 805 63.546 0.0626195 -3.53459 63.546000 Cu 0.785916 0.0814255 0.25 806 63.546 0.0626195 -3.53459 63.546000 Cu 0.728329 0.0995898 0.250002 809 63.546 0.0240177 -3.53801 63.546000 Cu 0.85004 0.0877017 8.47905e-20 808 63.546 0.00613881 -3.53933 63.546000 Cu 0.85004 0.0877021 0.5 818 63.546 0.00615559 -3.53934 63.546000 Cu 0.907732 0.0701471 5.66994e-16 815 63.546 0.0437187 -3.53701 63.546000 Cu 0.907732 0.0701471 0.5 819 63.546 0.0437216 -3.53701 63.546000 Cu 0.914067 0.0934771 0.749999 860 63.546 0.00663521 -3.53908 63.546000 Cu 0.972259 0.07671 0.750003 869 63.546 0.115351 -3.53019 63.546000 Cu 0.972259 0.07671 0.249997 870 63.546 0.115351 -3.53019 63.546000 Cu 0.978288 0.0996093 6.85955e-17 871 63.546 0.0246177 -3.53794 63.546000 Cu 0.914067 0.0934771 0.250001 873 63.546 0.00663521 -3.53908 63.546000 Cu 0.978288 0.0996086 0.5 875 63.546 0.0245589 -3.53794 63.546000 Cu 0.0421902 0.104869 0.750001 935 63.546 0.014107 -3.53912 63.546000 Cu 0.0421902 0.104869 0.249999 936 63.546 0.014107 -3.53912 63.546000 Cu 0.0483819 0.128195 1.7382e-16 937 63.546 0.00298247 -3.53979 63.546000 Cu 0.0483817 0.128195 0.5 941 63.546 0.00299155 -3.53979 63.546000 Cu 0.106232 0.110891 1 938 63.546 0.00100474 -3.53975 63.546000 Cu 0.106232 0.110891 0.5 948 63.546 0.00101487 -3.53975 63.546000 Cu 0.170286 0.116695 0.75 1006 63.546 0.000944277 -3.53966 63.546000 Cu 0.112408 0.134087 0.750001 1007 63.546 0.000149131 -3.53984 63.546000 Cu 0.112408 0.134087 0.249999 1008 63.546 0.000149131 -3.53984 63.546000 Cu 0.170286 0.116695 0.25 1019 63.546 0.000944277 -3.53966 63.546000 Cu 0.234448 0.122605 1 1017 63.546 0.004863 -3.53937 63.546000 Cu 0.292212 0.104829 3.41621e-16 1018 63.546 0.0145338 -3.53915 63.546000 Cu 0.234449 0.122604 0.5 1021 63.546 0.00485394 -3.53937 63.546000 Cu 0.292212 0.104828 0.5 1026 63.546 0.0145414 -3.53915 63.546000 Cu 0.298418 0.128146 0.75 1087 63.546 0.00335812 -3.53978 63.546000 Cu 0.298418 0.128146 0.25 1088 63.546 0.00335812 -3.53978 63.546000 Cu 0.356277 0.110859 0.750001 1086 63.546 0.00102056 -3.53972 63.546000 Cu 0.36247 0.134059 1.7382e-16 1090 63.546 0.000164907 -3.53982 63.546000 Cu 0.356277 0.110859 0.249999 1094 63.546 0.00102056 -3.53972 63.546000 Cu 0.362469 0.134058 0.5 1095 63.546 0.000159934 -3.53982 63.546000 Cu 0.420343 0.116675 6.24906e-16 721 63.546 0.000973024 -3.53964 63.546000 Cu 0.420342 0.116674 0.5 723 63.546 0.000970451 -3.53964 63.546000 Cu 0.484504 0.122605 0.749998 747 63.546 0.00488571 -3.53941 63.546000 Cu 0.484504 0.122605 0.250002 748 63.546 0.00488571 -3.53941 63.546000 Cu 0.542252 0.104834 0.749999 746 63.546 0.0143809 -3.53909 63.546000 Cu 0.548456 0.128169 2.32326e-16 750 63.546 0.00311542 -3.53976 63.546000 Cu 0.542252 0.104834 0.250001 759 63.546 0.0143809 -3.53909 63.546000 Cu 0.548456 0.12817 0.5 760 63.546 0.0031088 -3.53976 63.546000 Cu 0.606297 0.110879 3.47471e-16 757 63.546 0.00101222 -3.53974 63.546000 Cu 0.606297 0.110879 0.5 761 63.546 0.00101041 -3.53974 63.546000 Cu 0.612478 0.134093 0.749999 788 63.546 0.000159671 -3.53984 63.546000 Cu 0.670341 0.116707 0.749999 797 63.546 0.000914134 -3.53966 63.546000 Cu 0.670341 0.116707 0.250001 798 63.546 0.000914134 -3.53966 63.546000 Cu 0.612478 0.134093 0.250001 801 63.546 0.000159671 -3.53984 63.546000 Cu 0.734477 0.122641 5.26888e-16 800 63.546 0.00495106 -3.53946 63.546000 Cu 0.792231 0.104866 9.13193e-17 807 63.546 0.0141357 -3.5391 63.546000 Cu 0.734477 0.122642 0.5 810 63.546 0.00496562 -3.53946 63.546000 Cu 0.792231 0.104866 0.5 811 63.546 0.0141494 -3.5391 63.546000 Cu 0.798413 0.1282 0.749998 852 63.546 0.00317841 -3.53977 63.546000 Cu 0.798413 0.1282 0.250002 865 63.546 0.00317841 -3.53977 63.546000 Cu 0.856263 0.110907 0.750005 861 63.546 0.00107905 -3.53976 63.546000 Cu 0.856263 0.110907 0.249995 862 63.546 0.00107905 -3.53976 63.546000 Cu 0.862433 0.134118 1.73736e-16 863 63.546 0.000206212 -3.53985 63.546000 Cu 0.862433 0.134117 0.5 867 63.546 0.00020092 -3.53985 63.546000 Cu 0.920299 0.116724 1.79586e-16 864 63.546 0.00098204 -3.53966 63.546000 Cu 0.920299 0.116724 0.5 874 63.546 0.000973518 -3.53966 63.546000 Cu 0.984439 0.12265 0.749996 926 63.546 0.00510011 -3.53941 63.546000 Cu 0.984439 0.12265 0.250004 939 63.546 0.00510011 -3.53941 63.546000 Cu 0.0545066 0.15145 0.75 998 63.546 0.000628287 -3.53993 63.546000 Cu 0.0545066 0.15145 0.25 1011 63.546 0.000628287 -3.53993 63.546000 Cu 0.11852 0.157281 1.69581e-19 1009 63.546 2.85203e-05 -3.53989 63.546000 Cu 0.176464 0.139895 1 1010 63.546 0.000113466 -3.53983 63.546000 Cu 0.11852 0.157281 0.5 1013 63.546 2.83267e-05 -3.53989 63.546000 Cu 0.176464 0.139895 0.5 1020 63.546 0.000112604 -3.53983 63.546000 Cu 0.182557 0.163081 0.750001 1079 63.546 2.03876e-05 -3.53988 63.546000 Cu 0.182557 0.163081 0.249999 1080 63.546 2.03876e-05 -3.53988 63.546000 Cu 0.240548 0.145725 0.750002 1078 63.546 0.000955968 -3.53978 63.546000 Cu 0.246608 0.168884 3.11859e-16 1082 63.546 0.000203469 -3.53987 63.546000 Cu 0.240548 0.145725 0.249998 1091 63.546 0.000955968 -3.53978 63.546000 Cu 0.246607 0.168884 0.5 1092 63.546 0.000198628 -3.53987 63.546000 Cu 0.304553 0.151398 1.69581e-19 1089 63.546 0.000837319 -3.53991 63.546000 Cu 0.304552 0.151398 0.5 1093 63.546 0.000835158 -3.53991 63.546000 Cu 0.368588 0.157255 0.749996 1158 63.546 2.31772e-05 -3.53986 63.546000 Cu 0.368588 0.157255 0.250004 1159 63.546 2.31772e-05 -3.53986 63.546000 Cu 0.426527 0.139886 0.749999 744 63.546 0.00010121 -3.53983 63.546000 Cu 0.432632 0.163085 1 745 63.546 1.26368e-05 -3.53987 63.546000 Cu 0.490603 0.145738 1 749 63.546 0.00091767 -3.53981 63.546000 Cu 0.426527 0.139886 0.250001 751 63.546 0.00010121 -3.53983 63.546000 Cu 0.432632 0.163086 0.5 752 63.546 1.26199e-05 -3.53987 63.546000 Cu 0.490602 0.145739 0.5 753 63.546 0.000916426 -3.53981 63.546000 Cu 0.496664 0.168913 0.749998 782 63.546 0.000195931 -3.5399 63.546000 Cu 0.496664 0.168913 0.250002 793 63.546 0.000195931 -3.5399 63.546000 Cu 0.554587 0.151441 0.749999 789 63.546 0.000662116 -3.53991 63.546000 Cu 0.554587 0.151441 0.250001 790 63.546 0.000662116 -3.53991 63.546000 Cu 0.618585 0.157307 5.5843e-16 792 63.546 3.27289e-05 -3.53989 63.546000 Cu 0.676507 0.139931 1 799 63.546 9.39739e-05 -3.53985 63.546000 Cu 0.618585 0.157307 0.5 802 63.546 3.27387e-05 -3.53989 63.546000 Cu 0.676508 0.139931 0.5 803 63.546 9.45073e-05 -3.53985 63.546000 Cu 0.68259 0.163139 0.749998 844 63.546 1.64248e-05 -3.5399 63.546000 Cu 0.68259 0.163139 0.250002 857 63.546 1.64248e-05 -3.5399 63.546000 Cu 0.740557 0.145784 0.750002 853 63.546 0.00104366 -3.53984 63.546000 Cu 0.740557 0.145784 0.249998 854 63.546 0.00104366 -3.53984 63.546000 Cu 0.746596 0.168965 5.21292e-16 855 63.546 0.000285465 -3.53992 63.546000 Cu 0.746596 0.168965 0.5 859 63.546 0.000287887 -3.53992 63.546000 Cu 0.804526 0.151468 1.69581e-19 856 63.546 0.000765598 -3.53993 63.546000 Cu 0.804526 0.151468 0.5 866 63.546 0.000762402 -3.53993 63.546000 Cu 0.868525 0.157324 0.749999 918 63.546 5.0693e-05 -3.5399 63.546000 Cu 0.868525 0.157324 0.250001 931 63.546 5.0693e-05 -3.5399 63.546000 Cu 0.996563 0.16894 0.749998 999 63.546 0.000211919 -3.5399 63.546000 Cu 0.996563 0.16894 0.250002 1000 63.546 0.000211919 -3.5399 63.546000 Cu 0.926465 0.139937 0.750001 927 63.546 0.000124109 -3.53985 63.546000 Cu 0.926465 0.139937 0.249999 928 63.546 0.000124109 -3.53985 63.546000 Cu 0.932539 0.163136 3.47471e-16 929 63.546 2.21036e-05 -3.5399 63.546000 Cu 0.990524 0.145776 1 930 63.546 0.0010004 -3.5398 63.546000 Cu 0.932539 0.163136 0.5 933 63.546 2.18142e-05 -3.5399 63.546000 Cu 0.990524 0.145777 0.5 940 63.546 0.00100478 -3.5398 63.546000 Cu 0.00254542 0.192122 0 1001 63.546 4.8624e-05 -3.53993 63.546000 Cu 0.0605536 0.174669 1.69581e-19 1002 63.546 0.000153018 -3.53995 63.546000 Cu 0.00254536 0.192123 0.5 1005 63.546 5.0449e-05 -3.53993 63.546000 Cu 0.060554 0.174669 0.5 1012 63.546 0.00015374 -3.53995 63.546000 Cu 0.066539 0.197875 0.75 1071 63.546 4.54355e-05 -3.53994 63.546000 Cu 0.066539 0.197875 0.25 1072 63.546 4.54355e-05 -3.53994 63.546000 Cu 0.124565 0.180473 0.750002 1070 63.546 9.99283e-06 -3.53992 63.546000 Cu 0.130562 0.203669 1.69581e-19 1074 63.546 5.35553e-06 -3.53992 63.546000 Cu 0.188592 0.186266 1 1081 63.546 8.10496e-06 -3.5399 63.546000 Cu 0.124565 0.180473 0.249998 1083 63.546 9.99283e-06 -3.53992 63.546000 Cu 0.130562 0.203669 0.5 1084 63.546 4.85625e-06 -3.53992 63.546000 Cu 0.188592 0.186266 0.5 1085 63.546 7.67998e-06 -3.5399 63.546000 Cu 0.252629 0.192056 0.749998 1151 63.546 3.68042e-05 -3.5399 63.546000 Cu 0.252629 0.192056 0.250002 1152 63.546 3.68042e-05 -3.5399 63.546000 Cu 0.31062 0.174617 0.749999 1150 63.546 0.000231555 -3.53993 63.546000 Cu 0.316634 0.197822 2.88288e-17 1154 63.546 6.4089e-05 -3.53993 63.546000 Cu 0.374647 0.180447 5.21207e-16 1160 63.546 1.16005e-05 -3.53988 63.546000 Cu 0.31062 0.174617 0.250001 1161 63.546 0.000231555 -3.53993 63.546000 Cu 0.316634 0.197822 0.5 1162 63.546 6.55433e-05 -3.53993 63.546000 Cu 0.374647 0.180447 0.5 1163 63.546 1.17137e-05 -3.53988 63.546000 Cu 0.380643 0.20364 0.749998 1222 63.546 1.23793e-05 -3.5399 63.546000 Cu 0.380643 0.20364 0.250002 1230 63.546 1.23793e-05 -3.5399 63.546000 Cu 0.438671 0.186282 0.75 783 63.546 1.49491e-05 -3.5399 63.546000 Cu 0.438671 0.186282 0.25 784 63.546 1.49491e-05 -3.5399 63.546000 Cu 0.502669 0.192103 7.43697e-16 786 63.546 6.11559e-05 -3.53993 63.546000 Cu 0.560641 0.174675 0 791 63.546 0.000155684 -3.53994 63.546000 Cu 0.50267 0.192103 0.5 794 63.546 6.20043e-05 -3.53993 63.546000 Cu 0.560642 0.174675 0.5 795 63.546 0.000157504 -3.53994 63.546000 Cu 0.566624 0.197892 0.749998 836 63.546 4.98128e-05 -3.53995 63.546000 Cu 0.566624 0.197892 0.250002 849 63.546 4.98128e-05 -3.53995 63.546000 Cu 0.624622 0.180514 0.75 845 63.546 1.50648e-05 -3.53992 63.546000 Cu 0.624622 0.180514 0.25 846 63.546 1.50648e-05 -3.53992 63.546000 Cu 0.63059 0.203725 1.7382e-16 847 63.546 8.20992e-06 -3.53994 63.546000 Cu 0.688602 0.18634 1.69581e-19 848 63.546 9.2684e-06 -3.53992 63.546000 Cu 0.63059 0.203725 0.5 851 63.546 8.85126e-06 -3.53994 63.546000 Cu 0.688602 0.186341 0.5 858 63.546 9.53246e-06 -3.53992 63.546000 Cu 0.752582 0.192157 0.750002 910 63.546 9.91804e-05 -3.53994 63.546000 Cu 0.752582 0.192157 0.249998 923 63.546 9.91804e-05 -3.53994 63.546000 Cu 0.810559 0.174704 0.749999 919 63.546 0.000190328 -3.53996 63.546000 Cu 0.810559 0.174704 0.250001 920 63.546 0.000190328 -3.53996 63.546000 Cu 0.81653 0.197923 1.73651e-16 921 63.546 4.37745e-05 -3.53996 63.546000 Cu 0.874543 0.180527 1 922 63.546 1.44885e-05 -3.53993 63.546000 Cu 0.81653 0.197923 0.5 925 63.546 4.14234e-05 -3.53996 63.546000 Cu 0.874544 0.180526 0.5 932 63.546 1.42229e-05 -3.53993 63.546000 Cu 0.880501 0.20373 0.749996 991 63.546 4.18813e-06 -3.53994 63.546000 Cu 0.880501 0.20373 0.250004 992 63.546 4.18813e-06 -3.53994 63.546000 Cu 0.938541 0.186333 0.750001 990 63.546 1.06221e-05 -3.53993 63.546000 Cu 0.938541 0.186333 0.249999 1003 63.546 1.06221e-05 -3.53993 63.546000 Cu 0.00849422 0.215311 0.750001 1062 63.546 1.76127e-05 -3.53993 63.546000 Cu 0.0144251 0.238493 1.73736e-16 1066 63.546 9.02841e-06 -3.53992 63.546000 Cu 0.0725078 0.221071 1.47535e-17 1073 63.546 2.21161e-05 -3.53993 63.546000 Cu 0.00849422 0.215311 0.249999 1075 63.546 1.76127e-05 -3.53993 63.546000 Cu 0.0144252 0.238493 0.5 1076 63.546 8.92667e-06 -3.53992 63.546000 Cu 0.0725078 0.221071 0.5 1077 63.546 2.17069e-05 -3.53993 63.546000 Cu 0.194589 0.209452 0.749999 1142 63.546 5.75578e-06 -3.53991 63.546000 Cu 0.136531 0.226859 0.749999 1143 63.546 1.12086e-05 -3.53992 63.546000 Cu 0.136531 0.226859 0.250001 1144 63.546 1.12086e-05 -3.53992 63.546000 Cu 0.194589 0.209452 0.250001 1155 63.546 5.75578e-06 -3.53991 63.546000 Cu 0.200542 0.232636 2.54371e-19 1146 63.546 8.05319e-06 -3.53992 63.546000 Cu 0.258604 0.215235 0 1153 63.546 4.94696e-06 -3.53992 63.546000 Cu 0.200542 0.232636 0.5 1156 63.546 8.05071e-06 -3.53992 63.546000 Cu 0.258604 0.215235 0.5 1157 63.546 5.19451e-06 -3.53992 63.546000 Cu 0.264552 0.238422 0.749999 1214 63.546 1.55044e-05 -3.53993 63.546000 Cu 0.264552 0.238422 0.250001 1227 63.546 1.55044e-05 -3.53993 63.546000 Cu 0.322611 0.221018 0.749999 1223 63.546 2.99003e-05 -3.53993 63.546000 Cu 0.322611 0.221018 0.250001 1224 63.546 2.99003e-05 -3.53993 63.546000 Cu 0.386609 0.226833 3.47471e-16 1226 63.546 3.59651e-05 -3.53992 63.546000 Cu 0.386609 0.226834 0.5 1231 63.546 3.32305e-05 -3.53992 63.546000 Cu 0.444649 0.209476 2.92018e-16 785 63.546 1.13826e-05 -3.53991 63.546000 Cu 0.44465 0.209476 0.5 787 63.546 1.14796e-05 -3.53991 63.546000 Cu 0.450584 0.232676 0.749999 830 63.546 1.52094e-05 -3.53993 63.546000 Cu 0.450584 0.232676 0.250001 841 63.546 1.52094e-05 -3.53993 63.546000 Cu 0.508621 0.215306 0.750001 837 63.546 4.08777e-05 -3.53995 63.546000 Cu 0.508621 0.215306 0.249999 838 63.546 4.08777e-05 -3.53995 63.546000 Cu 0.514535 0.238521 1.69581e-19 839 63.546 7.36122e-05 -3.53996 63.546000 Cu 0.57257 0.221106 2.78113e-17 840 63.546 3.23844e-05 -3.53996 63.546000 Cu 0.514536 0.238521 0.5 843 63.546 7.43134e-05 -3.53996 63.546000 Cu 0.57257 0.221107 0.5 850 63.546 3.17285e-05 -3.53996 63.546000 Cu 0.636524 0.226935 0.749999 902 63.546 2.14966e-05 -3.53995 63.546000 Cu 0.69456 0.20954 0.749998 911 63.546 7.37225e-06 -3.53994 63.546000 Cu 0.69456 0.20954 0.250002 912 63.546 7.37225e-06 -3.53994 63.546000 Cu 0.636524 0.226935 0.250001 915 63.546 2.14966e-05 -3.53995 63.546000 Cu 0.700469 0.232742 3.78165e-16 913 63.546 1.055e-05 -3.53995 63.546000 Cu 0.758521 0.215351 0 914 63.546 3.30092e-05 -3.53994 63.546000 Cu 0.70047 0.232743 0.5 917 63.546 1.07611e-05 -3.53995 63.546000 Cu 0.758522 0.215351 0.5 924 63.546 3.1718e-05 -3.53994 63.546000 Cu 0.764424 0.23855 0.749997 983 63.546 1.78741e-05 -3.53995 63.546000 Cu 0.764424 0.23855 0.250003 984 63.546 1.78741e-05 -3.53995 63.546000 Cu 0.822477 0.221134 0.750003 982 63.546 1.02206e-05 -3.53996 63.546000 Cu 0.886441 0.226928 8.47905e-20 993 63.546 8.97614e-06 -3.53995 63.546000 Cu 0.822477 0.221134 0.249997 995 63.546 1.02206e-05 -3.53996 63.546000 Cu 0.886441 0.226929 0.5 997 63.546 8.81641e-06 -3.53995 63.546000 Cu 0.944496 0.209529 0 994 63.546 9.00952e-06 -3.53993 63.546000 Cu 0.944495 0.209529 0.5 1004 63.546 8.67606e-06 -3.53993 63.546000 Cu 0.950421 0.232719 0.750001 1063 63.546 9.92158e-06 -3.53993 63.546000 Cu 0.950421 0.232719 0.249999 1064 63.546 9.92158e-06 -3.53993 63.546000 Cu 0.0784333 0.244262 0.749998 1134 63.546 1.22009e-05 -3.53993 63.546000 Cu 0.0203047 0.26167 0.750001 1135 63.546 1.30064e-05 -3.53992 63.546000 Cu 0.0203047 0.26167 0.249999 1136 63.546 1.30064e-05 -3.53992 63.546000 Cu 0.08431 0.267445 2.5098e-16 1138 63.546 3.3476e-05 -3.53992 63.546000 Cu 0.0784333 0.244262 0.250002 1147 63.546 1.22009e-05 -3.53993 63.546000 Cu 0.0843097 0.267446 0.5 1148 63.546 3.2532e-05 -3.53992 63.546000 Cu 0.142444 0.250047 0 1145 63.546 1.42573e-05 -3.53992 63.546000 Cu 0.142444 0.250047 0.5 1149 63.546 1.45326e-05 -3.53992 63.546000 Cu 0.148297 0.273231 0.749999 1206 63.546 4.9655e-05 -3.53993 63.546000 Cu 0.148297 0.273231 0.250001 1219 63.546 4.9655e-05 -3.53993 63.546000 Cu 0.206453 0.255819 0.749999 1215 63.546 5.06664e-05 -3.53993 63.546000 Cu 0.206453 0.255819 0.250001 1216 63.546 5.06664e-05 -3.53993 63.546000 Cu 0.270438 0.26162 8.47905e-20 1218 63.546 5.54365e-05 -3.53995 63.546000 Cu 0.270438 0.26162 0.5 1228 63.546 5.60975e-05 -3.53995 63.546000 Cu 0.392508 0.250042 0.750002 831 63.546 3.72029e-05 -3.53995 63.546000 Cu 0.392508 0.250042 0.249998 832 63.546 3.72029e-05 -3.53995 63.546000 Cu 0.32854 0.244215 0 1225 63.546 4.36588e-05 -3.53994 63.546000 Cu 0.32854 0.244216 0.5 1229 63.546 4.26419e-05 -3.53994 63.546000 Cu 0.334383 0.267418 0.750001 1276 63.546 9.10377e-05 -3.53996 63.546000 Cu 0.334383 0.267418 0.249999 1284 63.546 9.10377e-05 -3.53996 63.546000 Cu 0.398296 0.273256 1.7382e-16 833 63.546 2.98664e-05 -3.53996 63.546000 Cu 0.398296 0.273256 0.5 835 63.546 3.05897e-05 -3.53997 63.546000 Cu 0.456447 0.255883 1 834 63.546 3.7639e-05 -3.53995 63.546000 Cu 0.456448 0.255883 0.5 842 63.546 3.83962e-05 -3.53995 63.546000 Cu 0.520365 0.261735 0.749998 894 63.546 9.31544e-05 -3.53996 63.546000 Cu 0.578457 0.244327 0.749998 903 63.546 1.91228e-05 -3.53997 63.546000 Cu 0.578457 0.244327 0.250002 904 63.546 1.91228e-05 -3.53997 63.546000 Cu 0.584273 0.267538 1.34986e-16 905 63.546 1.27429e-05 -3.53997 63.546000 Cu 0.520365 0.261735 0.250002 907 63.546 9.31544e-05 -3.53996 63.546000 Cu 0.584273 0.267539 0.5 909 63.546 1.31352e-05 -3.53997 63.546000 Cu 0.642383 0.250145 2.5098e-17 906 63.546 1.89473e-05 -3.53996 63.546000 Cu 0.642385 0.250146 0.5 916 63.546 2.12277e-05 -3.53996 63.546000 Cu 0.648189 0.273343 0.749999 975 63.546 6.87596e-06 -3.53995 63.546000 Cu 0.648189 0.273343 0.250001 976 63.546 6.87596e-06 -3.53995 63.546000 Cu 0.706321 0.255943 0.750002 974 63.546 8.61802e-06 -3.53995 63.546000 Cu 0.770269 0.261749 6.34233e-17 985 63.546 8.32716e-06 -3.53995 63.546000 Cu 0.706321 0.255943 0.249998 987 63.546 8.61802e-06 -3.53995 63.546000 Cu 0.770271 0.261749 0.5 989 63.546 8.77884e-06 -3.53995 63.546000 Cu 0.828375 0.244344 1.97562e-17 986 63.546 1.07517e-05 -3.53997 63.546000 Cu 0.828376 0.244345 0.5 996 63.546 1.20944e-05 -3.53997 63.546000 Cu 0.892332 0.250126 0.750002 1054 63.546 9.6614e-06 -3.53995 63.546000 Cu 0.834225 0.26755 0.750003 1055 63.546 3.26761e-05 -3.53996 63.546000 Cu 0.834225 0.26755 0.249997 1056 63.546 3.26761e-05 -3.53996 63.546000 Cu 0.892332 0.250126 0.249998 1067 63.546 9.6614e-06 -3.53995 63.546000 Cu 0.898174 0.273324 0 1058 63.546 1.5817e-05 -3.53995 63.546000 Cu 0.898175 0.273323 0.5 1068 63.546 1.58174e-05 -3.53995 63.546000 Cu 0.95631 0.255903 1.53047e-16 1065 63.546 1.239e-05 -3.53993 63.546000 Cu 0.956312 0.255902 0.5 1069 63.546 1.28948e-05 -3.53993 63.546000 Cu 0.0261194 0.284847 1.73312e-16 1137 63.546 3.52985e-05 -3.53993 63.546000 Cu 0.0261188 0.284847 0.5 1141 63.546 3.42068e-05 -3.53993 63.546000 Cu 0.0318401 0.308035 0.750006 1198 63.546 1.07982e-05 -3.53995 63.546000 Cu 0.0900782 0.290629 0.750003 1207 63.546 1.76459e-05 -3.53994 63.546000 Cu 0.0900782 0.290629 0.249997 1208 63.546 1.76459e-05 -3.53994 63.546000 Cu 0.0318401 0.308035 0.249994 1211 63.546 1.07982e-05 -3.53995 63.546000 Cu 0.154015 0.296416 1.69581e-19 1210 63.546 7.26305e-06 -3.53994 63.546000 Cu 0.154017 0.296416 0.5 1220 63.546 8.03628e-06 -3.53994 63.546000 Cu 0.212256 0.279014 3.43995e-16 1217 63.546 5.90616e-05 -3.53995 63.546000 Cu 0.212257 0.279014 0.5 1221 63.546 5.95362e-05 -3.53995 63.546000 Cu 0.217935 0.302216 0.749999 1268 63.546 1.59527e-05 -3.53996 63.546000 Cu 0.276187 0.284827 0.749998 1277 63.546 3.19457e-05 -3.53997 63.546000 Cu 0.276187 0.284827 0.250002 1278 63.546 3.19457e-05 -3.53997 63.546000 Cu 0.281847 0.30804 2.49793e-16 1279 63.546 3.82531e-05 -3.53997 63.546000 Cu 0.217935 0.302216 0.250001 1281 63.546 1.59527e-05 -3.53996 63.546000 Cu 0.281849 0.308042 0.5 1283 63.546 3.98207e-05 -3.53997 63.546000 Cu 0.340082 0.290625 1 1280 63.546 4.37204e-05 -3.53997 63.546000 Cu 0.340081 0.290625 0.5 1285 63.546 4.49826e-05 -3.53997 63.546000 Cu 0.403983 0.296459 0.750001 892 63.546 5.66229e-06 -3.53996 63.546000 Cu 0.462197 0.279089 0.75 895 63.546 1.476e-05 -3.53995 63.546000 Cu 0.462197 0.279089 0.25 896 63.546 1.476e-05 -3.53995 63.546000 Cu 0.467906 0.302281 1 897 63.546 1.34559e-05 -3.53993 63.546000 Cu 0.403983 0.296459 0.249999 899 63.546 5.66229e-06 -3.53996 63.546000 Cu 0.467905 0.30228 0.5 901 63.546 1.42655e-05 -3.53993 63.546000 Cu 0.52612 0.284931 3.47471e-16 898 63.546 5.01631e-05 -3.53994 63.546000 Cu 0.526121 0.284931 0.5 908 63.546 5.25319e-05 -3.53994 63.546000 Cu 0.590034 0.290735 0.750001 966 63.546 3.86351e-06 -3.53996 63.546000 Cu 0.531843 0.308118 0.749995 967 63.546 2.48303e-05 -3.53993 63.546000 Cu 0.531843 0.308118 0.250005 968 63.546 2.48303e-05 -3.53993 63.546000 Cu 0.590034 0.290735 0.249999 979 63.546 3.86351e-06 -3.53996 63.546000 Cu 0.653957 0.296531 1.21674e-16 977 63.546 2.92322e-06 -3.53995 63.546000 Cu 0.653958 0.296531 0.5 981 63.546 2.488e-06 -3.53995 63.546000 Cu 0.712122 0.27914 1.73651e-16 978 63.546 4.97272e-06 -3.53995 63.546000 Cu 0.712124 0.27914 0.5 988 63.546 5.09536e-06 -3.53995 63.546000 Cu 0.776072 0.284947 0.749999 1046 63.546 1.08449e-05 -3.53996 63.546000 Cu 0.717893 0.302334 0.750006 1047 63.546 4.42227e-06 -3.53995 63.546000 Cu 0.717893 0.302334 0.249994 1048 63.546 4.42227e-06 -3.53995 63.546000 Cu 0.781816 0.30815 1.69581e-19 1050 63.546 1.15025e-05 -3.53996 63.546000 Cu 0.776072 0.284947 0.250001 1059 63.546 1.08449e-05 -3.53996 63.546000 Cu 0.781815 0.30815 0.5 1060 63.546 1.23707e-05 -3.53996 63.546000 Cu 0.840006 0.29075 1.69581e-19 1057 63.546 3.5262e-05 -3.53996 63.546000 Cu 0.840006 0.29075 0.5 1061 63.546 3.65789e-05 -3.53996 63.546000 Cu 0.962137 0.279087 0.750001 1126 63.546 1.44265e-05 -3.53993 63.546000 Cu 0.903945 0.296516 0.749998 1127 63.546 8.92417e-06 -3.53995 63.546000 Cu 0.903945 0.296516 0.250002 1128 63.546 8.92417e-06 -3.53995 63.546000 Cu 0.967896 0.302263 1.7382e-16 1130 63.546 1.87282e-05 -3.53992 63.546000 Cu 0.962137 0.279087 0.249999 1139 63.546 1.44265e-05 -3.53993 63.546000 Cu 0.967896 0.302263 0.5 1140 63.546 1.88085e-05 -3.53992 63.546000 Cu 0.0375888 0.331235 1.7382e-16 1202 63.546 1.36008e-05 -3.53996 63.546000 Cu 0.095771 0.313824 1.7382e-16 1209 63.546 1.80531e-05 -3.53996 63.546000 Cu 0.0375891 0.331234 0.5 1212 63.546 1.46977e-05 -3.53996 63.546000 Cu 0.095771 0.313823 0.5 1213 63.546 1.91098e-05 -3.53996 63.546000 Cu 0.101531 0.337033 0.749998 1260 63.546 2.19874e-05 -3.53997 63.546000 Cu 0.159711 0.319611 0.749999 1269 63.546 3.05145e-05 -3.53996 63.546000 Cu 0.159711 0.319611 0.250001 1270 63.546 3.05145e-05 -3.53996 63.546000 Cu 0.165453 0.34282 6.56278e-17 1271 63.546 8.29145e-05 -3.53997 63.546000 Cu 0.101531 0.337033 0.250002 1273 63.546 2.19874e-05 -3.53997 63.546000 Cu 0.165452 0.342822 0.5 1275 63.546 7.89504e-05 -3.53997 63.546000 Cu 0.223653 0.325424 1.73736e-16 1272 63.546 1.0258e-05 -3.53996 63.546000 Cu 0.223651 0.325425 0.5 1282 63.546 1.00696e-05 -3.53996 63.546000 Cu 0.287582 0.331259 0.750003 1314 63.546 7.45555e-05 -3.53998 63.546000 Cu 0.287582 0.331259 0.249997 1325 63.546 7.45555e-05 -3.53998 63.546000 Cu 0.345766 0.313837 0.750003 1322 63.546 3.22016e-05 -3.53997 63.546000 Cu 0.345766 0.313837 0.249997 1323 63.546 3.22016e-05 -3.53997 63.546000 Cu 0.351471 0.337057 1.94509e-16 1324 63.546 4.15833e-05 -3.53997 63.546000 Cu 0.351469 0.337056 0.5 1327 63.546 3.94421e-05 -3.53997 63.546000 Cu 0.409692 0.319658 3.30259e-16 893 63.546 1.11856e-05 -3.53995 63.546000 Cu 0.409693 0.319658 0.5 900 63.546 1.06339e-05 -3.53995 63.546000 Cu 0.473625 0.325463 0.750001 960 63.546 4.90543e-05 -3.53991 63.546000 Cu 0.415373 0.342856 0.749994 961 63.546 4.94846e-05 -3.53993 63.546000 Cu 0.415373 0.342856 0.250006 962 63.546 4.94846e-05 -3.53993 63.546000 Cu 0.473625 0.325463 0.249999 971 63.546 4.90543e-05 -3.53991 63.546000 Cu 0.537586 0.331302 1.193e-16 969 63.546 2.75842e-05 -3.53993 63.546000 Cu 0.595785 0.313931 2.89899e-16 970 63.546 1.52172e-05 -3.53995 63.546000 Cu 0.537585 0.331304 0.5 973 63.546 2.8799e-05 -3.53993 63.546000 Cu 0.595784 0.313932 0.5 980 63.546 1.59215e-05 -3.53995 63.546000 Cu 0.659717 0.319724 0.749999 1038 63.546 4.71415e-06 -3.53995 63.546000 Cu 0.601533 0.337129 0.750001 1039 63.546 5.52826e-05 -3.53994 63.546000 Cu 0.601533 0.337129 0.249999 1040 63.546 5.52826e-05 -3.53994 63.546000 Cu 0.665462 0.342917 1.69581e-19 1042 63.546 2.75198e-05 -3.53994 63.546000 Cu 0.659717 0.319724 0.250001 1051 63.546 4.71415e-06 -3.53995 63.546000 Cu 0.665464 0.342916 0.5 1052 63.546 2.9239e-05 -3.53994 63.546000 Cu 0.72364 0.325528 1 1049 63.546 1.00222e-05 -3.53994 63.546000 Cu 0.72364 0.325527 0.5 1053 63.546 1.0864e-05 -3.53994 63.546000 Cu 0.787572 0.331352 0.749993 1119 63.546 3.81613e-05 -3.53996 63.546000 Cu 0.787572 0.331352 0.250007 1120 63.546 3.81613e-05 -3.53996 63.546000 Cu 0.845749 0.313947 0.750001 1118 63.546 3.27211e-05 -3.53996 63.546000 Cu 0.8515 0.337142 2.82861e-16 1122 63.546 4.39722e-05 -3.53995 63.546000 Cu 0.845749 0.313947 0.249999 1131 63.546 3.27211e-05 -3.53996 63.546000 Cu 0.851501 0.337142 0.5 1132 63.546 4.3246e-05 -3.53995 63.546000 Cu 0.909684 0.319705 1 1129 63.546 1.43122e-05 -3.53994 63.546000 Cu 0.909684 0.319706 0.5 1133 63.546 1.58924e-05 -3.53994 63.546000 Cu 0.915448 0.342888 0.750008 1190 63.546 2.28973e-05 -3.53992 63.546000 Cu 0.973632 0.32544 0.750003 1199 63.546 8.78287e-05 -3.53992 63.546000 Cu 0.973632 0.32544 0.249997 1200 63.546 8.78287e-05 -3.53992 63.546000 Cu 0.915448 0.342888 0.249992 1203 63.546 2.28973e-05 -3.53992 63.546000 Cu 0.043338 0.354453 0.749999 1261 63.546 0.000163901 -3.53998 63.546000 Cu 0.043338 0.354453 0.250001 1262 63.546 0.000163901 -3.53998 63.546000 Cu 0.0489193 0.377691 1.7382e-16 1263 63.546 0.000489342 -3.53997 63.546000 Cu 0.0489243 0.377692 0.5 1267 63.546 0.000500507 -3.53997 63.546000 Cu 0.107213 0.360258 1.20826e-16 1264 63.546 0.00010769 -3.53997 63.546000 Cu 0.107211 0.360261 0.5 1274 63.546 0.000103019 -3.53998 63.546000 Cu 0.171042 0.36604 0.750012 1306 63.546 0.000105215 -3.53996 63.546000 Cu 0.171042 0.36604 0.249988 1319 63.546 0.000105215 -3.53996 63.546000 Cu 0.229354 0.348631 0.750001 1315 63.546 0.000148189 -3.53996 63.546000 Cu 0.229354 0.348631 0.249999 1316 63.546 0.000148189 -3.53996 63.546000 Cu 0.234854 0.371833 0 1317 63.546 0.000260178 -3.53992 63.546000 Cu 0.293218 0.354486 1.7382e-16 1318 63.546 0.000221918 -3.53998 63.546000 Cu 0.234859 0.371831 0.5 1321 63.546 0.000269388 -3.53992 63.546000 Cu 0.293222 0.354485 0.5 1326 63.546 0.000236136 -3.53998 63.546000 Cu 0.298705 0.377715 0.749997 1351 63.546 0.000607216 -3.53996 63.546000 Cu 0.298705 0.377715 0.250003 1352 63.546 0.000607216 -3.53996 63.546000 Cu 0.357061 0.360266 0.75 1350 63.546 6.99484e-05 -3.53994 63.546000 Cu 0.357061 0.360266 0.25 1358 63.546 6.99484e-05 -3.53994 63.546000 Cu 0.420947 0.366033 3.32379e-17 963 63.546 5.80445e-05 -3.53987 63.546000 Cu 0.479318 0.348637 0 964 63.546 0.000194604 -3.53988 63.546000 Cu 0.420946 0.366034 0.5 965 63.546 6.03971e-05 -3.53987 63.546000 Cu 0.479317 0.348637 0.5 972 63.546 0.00019537 -3.53988 63.546000 Cu 0.484884 0.371805 0.750007 1031 63.546 0.000412548 -3.53983 63.546000 Cu 0.484884 0.371805 0.249993 1032 63.546 0.000412548 -3.53983 63.546000 Cu 0.543286 0.354497 0.749998 1030 63.546 0.000156229 -3.53994 63.546000 Cu 0.548827 0.377704 2.32495e-16 1034 63.546 0.00048041 -3.53995 63.546000 Cu 0.543286 0.354497 0.250002 1043 63.546 0.000156229 -3.53994 63.546000 Cu 0.548825 0.377704 0.5 1044 63.546 0.00048433 -3.53995 63.546000 Cu 0.607213 0.360316 5.21292e-16 1041 63.546 0.000130635 -3.53993 63.546000 Cu 0.607213 0.360316 0.5 1045 63.546 0.000131897 -3.53993 63.546000 Cu 0.67112 0.366099 0.749998 1111 63.546 0.000134944 -3.53991 63.546000 Cu 0.67112 0.366099 0.250002 1112 63.546 0.000134944 -3.53991 63.546000 Cu 0.729394 0.348713 0.749994 1110 63.546 9.05359e-05 -3.53992 63.546000 Cu 0.735027 0.371883 1 1114 63.546 0.000364026 -3.53985 63.546000 Cu 0.793325 0.354554 3.55357e-16 1121 63.546 0.000218574 -3.53997 63.546000 Cu 0.729394 0.348713 0.250006 1123 63.546 9.05359e-05 -3.53992 63.546000 Cu 0.735025 0.371884 0.5 1124 63.546 0.000354291 -3.53985 63.546000 Cu 0.793326 0.354555 0.5 1125 63.546 0.000226822 -3.53997 63.546000 Cu 0.798929 0.377768 0.749998 1182 63.546 0.000812883 -3.53996 63.546000 Cu 0.798929 0.377768 0.250002 1195 63.546 0.000812883 -3.53996 63.546000 Cu 0.85723 0.360326 0.749997 1191 63.546 0.000110747 -3.53992 63.546000 Cu 0.85723 0.360326 0.250003 1192 63.546 0.000110747 -3.53992 63.546000 Cu 0.921136 0.366057 1 1194 63.546 8.14471e-05 -3.53988 63.546000 Cu 0.979401 0.348618 1 1201 63.546 0.000273148 -3.53991 63.546000 Cu 0.921137 0.366056 0.5 1204 63.546 8.46719e-05 -3.53988 63.546000 Cu 0.979398 0.348618 0.5 1205 63.546 0.000265243 -3.53991 63.546000 Cu 0.985043 0.371792 0.75001 1252 63.546 0.0006376 -3.53987 63.546000 Cu 0.985043 0.371792 0.24999 1265 63.546 0.0006376 -3.53987 63.546000 Cu 0.0543783 0.400955 0.750043 1298 63.546 0.00181306 -3.53988 63.546000 Cu 0.0543783 0.400955 0.249957 1311 63.546 0.00181306 -3.53988 63.546000 Cu 0.112705 0.383503 0.750076 1307 63.546 9.03271e-05 -3.53993 63.546000 Cu 0.112705 0.383503 0.249924 1308 63.546 9.03271e-05 -3.53993 63.546000 Cu 0.118109 0.406798 8.39426e-17 1309 63.546 0.000551514 -3.53985 63.546000 Cu 0.176447 0.389276 1.73736e-16 1310 63.546 0.000101877 -3.5399 63.546000 Cu 0.118088 0.406751 0.5 1313 63.546 0.000254377 -3.53987 63.546000 Cu 0.176455 0.389267 0.5 1320 63.546 4.05134e-05 -3.53992 63.546000 Cu 0.18182 0.412494 0.749913 1343 63.546 0.000201097 -3.53981 63.546000 Cu 0.18182 0.412494 0.250087 1344 63.546 0.000201097 -3.53981 63.546000 Cu 0.240249 0.395017 0.749984 1342 63.546 0.00105823 -3.53983 63.546000 Cu 0.240249 0.395017 0.250016 1355 63.546 0.00105823 -3.53983 63.546000 Cu 0.367887 0.406623 0.250003 693 63.546 0.000424718 -3.53968 63.546000 Cu 0.304101 0.400962 0 1353 63.546 0.00239227 -3.53988 63.546000 Cu 0.362523 0.383455 4.50492e-16 1354 63.546 0.000103344 -3.53985 63.546000 Cu 0.304079 0.400969 0.5 1357 63.546 0.00243247 -3.53988 63.546000 Cu 0.362515 0.383457 0.5 1359 63.546 0.000112174 -3.53984 63.546000 Cu 0.367887 0.406623 0.749997 1375 63.546 0.000424718 -3.53968 63.546000 Cu 0.4264 0.389187 0.749996 1028 63.546 8.43127e-05 -3.53979 63.546000 Cu 0.431732 0.412319 1 1029 63.546 0.000107747 -3.53975 63.546000 Cu 0.490298 0.394951 8.38578e-17 1033 63.546 0.0010598 -3.53972 63.546000 Cu 0.4264 0.389187 0.250004 1035 63.546 8.43127e-05 -3.53979 63.546000 Cu 0.431746 0.412319 0.5 1036 63.546 9.70711e-05 -3.53977 63.546000 Cu 0.490297 0.394949 0.5 1037 63.546 0.00109212 -3.53973 63.546000 Cu 0.554188 0.400937 0.749997 1103 63.546 0.00200435 -3.5399 63.546000 Cu 0.554188 0.400937 0.250003 1104 63.546 0.00200435 -3.5399 63.546000 Cu 0.612699 0.383503 0.750002 1102 63.546 0.00012755 -3.53987 63.546000 Cu 0.617978 0.406679 0 1106 63.546 0.000209619 -3.53974 63.546000 Cu 0.676559 0.389275 1.7382e-16 1113 63.546 0.000100293 -3.53984 63.546000 Cu 0.612699 0.383503 0.249998 1115 63.546 0.00012755 -3.53987 63.546000 Cu 0.61798 0.406678 0.5 1116 63.546 0.000212431 -3.53975 63.546000 Cu 0.676558 0.389275 0.5 1117 63.546 9.91704e-05 -3.53984 63.546000 Cu 0.681826 0.412427 0.749996 1174 63.546 4.81919e-05 -3.53978 63.546000 Cu 0.681826 0.412427 0.250004 1187 63.546 4.81919e-05 -3.53978 63.546000 Cu 0.740444 0.395028 0.750001 1183 63.546 0.00114103 -3.53969 63.546000 Cu 0.740444 0.395028 0.249999 1184 63.546 0.00114103 -3.53969 63.546000 Cu 0.804355 0.401001 1.7382e-16 1186 63.546 0.00315846 -3.53988 63.546000 Cu 0.862782 0.383505 1.23455e-16 1193 63.546 0.000131225 -3.53983 63.546000 Cu 0.804355 0.401002 0.5 1196 63.546 0.0031793 -3.53988 63.546000 Cu 0.86278 0.383506 0.5 1197 63.546 0.000127525 -3.53983 63.546000 Cu 0.868144 0.406658 0.750001 1244 63.546 0.000426698 -3.53959 63.546000 Cu 0.868144 0.406658 0.249999 1257 63.546 0.000426698 -3.53959 63.546000 Cu 0.926646 0.389219 0.750001 1253 63.546 8.85265e-05 -3.53982 63.546000 Cu 0.926646 0.389219 0.249999 1254 63.546 8.85265e-05 -3.53982 63.546000 Cu 0.931989 0.412362 3.11181e-16 1255 63.546 7.32173e-05 -3.53973 63.546000 Cu 0.990508 0.394951 1 1256 63.546 0.00159583 -3.53975 63.546000 Cu 0.931993 0.412363 0.5 1259 63.546 7.96733e-05 -3.53973 63.546000 Cu 0.990511 0.394951 0.5 1266 63.546 0.00160539 -3.53975 63.546000 Cu 0.00113287 0.441137 2.7913e-16 1301 63.546 0.0200658 -3.53793 63.546000 Cu 0.0597913 0.424291 8.47905e-20 1302 63.546 0.00795159 -3.53937 63.546000 Cu 0.00108209 0.441123 0.5 1305 63.546 0.0210313 -3.53786 63.546000 Cu 0.0597428 0.424281 0.5 1312 63.546 0.00807269 -3.5394 63.546000 Cu 0.0651712 0.447724 0.749688 1335 63.546 0.0364462 -3.53648 63.546000 Cu 0.0651712 0.447724 0.250312 1336 63.546 0.0364462 -3.53648 63.546000 Cu 0.123433 0.430059 0.749249 1334 63.546 0.00230452 -3.53931 63.546000 Cu 0.187129 0.435673 1.69581e-19 1345 63.546 0.000310562 -3.53969 63.546000 Cu 0.123433 0.430059 0.250751 1347 63.546 0.00230452 -3.53931 63.546000 Cu 0.187046 0.435723 0.5 1349 63.546 0.00217532 -3.53917 63.546000 Cu 0.245627 0.418158 2.14774e-16 1346 63.546 0.00449585 -3.53948 63.546000 Cu 0.245579 0.418183 0.5 1356 63.546 0.00396868 -3.53946 63.546000 Cu 0.25092 0.44123 0.750145 1368 63.546 0.0189056 -3.5382 63.546000 Cu 0.25092 0.44123 0.249855 1369 63.546 0.0189056 -3.5382 63.546000 Cu 0.373229 0.42976 0.5 629 63.546 0.00257955 -3.53931 63.546000 Cu 0.315014 0.447634 0.5 674 63.546 0.0469862 -3.53648 63.546000 Cu 0.309484 0.424258 0.25 682 63.546 0.0103331 -3.53943 63.546000 Cu 0.373183 0.429771 6.9613e-17 689 63.546 0.00262018 -3.53918 63.546000 Cu 0.309484 0.424258 0.75 1367 63.546 0.0103331 -3.53943 63.546000 Cu 0.31487 0.447673 1.64833e-16 1371 63.546 0.0474865 -3.53699 63.546000 Cu 0.495609 0.418063 0.750001 1096 63.546 0.00375291 -3.53947 63.546000 Cu 0.437054 0.435461 0.750019 1097 63.546 1.9963e-05 -3.53981 63.546000 Cu 0.437054 0.435461 0.249981 1098 63.546 1.9963e-05 -3.53981 63.546000 Cu 0.495609 0.418063 0.249999 1107 63.546 0.00375291 -3.53947 63.546000 Cu 0.500931 0.441138 0 1100 63.546 0.0153368 -3.53852 63.546000 Cu 0.559503 0.424221 2.871e-16 1105 63.546 0.00935043 -3.53942 63.546000 Cu 0.500939 0.441136 0.5 1108 63.546 0.0154167 -3.53852 63.546000 Cu 0.55951 0.42422 0.5 1109 63.546 0.00935658 -3.53941 63.546000 Cu 0.564843 0.44764 0.750012 1167 63.546 0.0454971 -3.53612 63.546000 Cu 0.564843 0.44764 0.249988 1179 63.546 0.0454971 -3.53612 63.546000 Cu 0.623203 0.429829 0.749999 1175 63.546 0.00205412 -3.53936 63.546000 Cu 0.623203 0.429829 0.250001 1176 63.546 0.00205412 -3.53936 63.546000 Cu 0.686998 0.435579 1 1178 63.546 0.000399941 -3.53971 63.546000 Cu 0.687003 0.43558 0.5 1188 63.546 0.000413394 -3.53971 63.546000 Cu 0.745705 0.418137 1 1185 63.546 0.00425009 -3.53938 63.546000 Cu 0.745708 0.418138 0.5 1189 63.546 0.00424785 -3.53938 63.546000 Cu 0.750846 0.441199 0.750003 1236 63.546 0.0166876 -3.5383 63.546000 Cu 0.750846 0.441199 0.249997 1249 63.546 0.0166876 -3.5383 63.546000 Cu 0.809596 0.424279 0.750004 1245 63.546 0.0120409 -3.53942 63.546000 Cu 0.809596 0.424279 0.249996 1246 63.546 0.0120409 -3.53942 63.546000 Cu 0.814837 0.44767 4.0462e-16 1247 63.546 0.0503432 -3.53641 63.546000 Cu 0.873342 0.429782 1.63476e-16 1248 63.546 0.00288922 -3.53907 63.546000 Cu 0.814842 0.447671 0.5 1251 63.546 0.0504431 -3.53639 63.546000 Cu 0.873341 0.429783 0.5 1258 63.546 0.00286925 -3.53907 63.546000 Cu 0.995869 0.418073 0.750056 1299 63.546 0.00549959 -3.53936 63.546000 Cu 0.995869 0.418073 0.249944 1300 63.546 0.00549959 -3.53936 63.546000 Cu 0.937188 0.435491 0.750044 1290 63.546 0.000163447 -3.53965 63.546000 Cu 0.937188 0.435491 0.249956 1303 63.546 0.000163447 -3.53965 63.546000 Cu 0.00633325 0.464045 0.749733 1329 63.546 0.0902617 -3.53445 63.546000 Cu 0.0697709 0.471465 2.2673e-16 1337 63.546 0.211114 -3.52275 63.546000 Cu 0.00633325 0.464045 0.250267 1339 63.546 0.0902617 -3.53445 63.546000 Cu 0.0702299 0.47149 0.5 1341 63.546 0.18732 -3.52338 63.546000 Cu 0.128515 0.453174 1.25151e-16 1338 63.546 0.0171312 -3.53769 63.546000 Cu 0.128595 0.453638 0.5 1348 63.546 0.0292252 -3.5379 63.546000 Cu 0.192301 0.458865 0.750233 1361 63.546 0.00354857 -3.53889 63.546000 Cu 0.133402 0.476444 0.754939 1362 63.546 5.8971 -3.43987 63.546000 Cu 0.133402 0.476444 0.245061 1363 63.546 5.8971 -3.43987 63.546000 Cu 0.192301 0.458865 0.249767 1372 63.546 0.00354857 -3.53889 63.546000 Cu 0.197412 0.481882 1.58134e-16 1364 63.546 5.77424 -3.32697 63.546000 Cu 0.197722 0.481812 0.5 1373 63.546 3.81583 -3.47533 63.546000 Cu 0.255984 0.464221 2.74297e-16 1370 63.546 0.0715812 -3.53436 63.546000 Cu 0.25638 0.464108 0.5 1374 63.546 0.0914913 -3.53412 63.546000 Cu 0.38352 0.475757 0.5 7 63.546 0.126034 -3.5307 63.546000 Cu 0.378481 0.452846 0.249907 46 63.546 0.0178742 -3.53686 63.546000 Cu 0.383525 0.475771 4.4091e-17 90 63.546 0.126479 -3.5304 63.546000 Cu 0.31999 0.471338 0.249862 194 63.546 0.228614 -3.5245 63.546000 Cu 0.31999 0.471338 0.750138 582 63.546 0.228614 -3.5245 63.546000 Cu 0.378481 0.452846 0.750093 583 63.546 0.0178742 -3.53686 63.546000 Cu 0.442331 0.458621 0 1099 63.546 0.00279614 -3.53962 63.546000 Cu 0.442333 0.458616 0.5 1101 63.546 0.00270057 -3.53963 63.546000 Cu 0.447665 0.481674 0.74998 1164 63.546 3.82082 -3.47497 63.546000 Cu 0.447665 0.481674 0.25002 1172 63.546 3.82082 -3.47497 63.546000 Cu 0.506233 0.464103 0.750001 1168 63.546 0.07494 -3.53568 63.546000 Cu 0.506233 0.464103 0.249999 1169 63.546 0.07494 -3.53568 63.546000 Cu 0.569766 0.471403 1.95018e-16 1171 63.546 0.235136 -3.52242 63.546000 Cu 0.569764 0.471402 0.5 1180 63.546 0.234908 -3.52243 63.546000 Cu 0.628275 0.452938 2.33937e-16 1177 63.546 0.0161321 -3.53701 63.546000 Cu 0.628273 0.452937 0.5 1181 63.546 0.0161782 -3.53701 63.546000 Cu 0.633234 0.475885 0.750003 1232 63.546 0.129032 -3.53047 63.546000 Cu 0.692081 0.458724 0.750001 1237 63.546 0.00404349 -3.53946 63.546000 Cu 0.692081 0.458724 0.249999 1238 63.546 0.00404349 -3.53946 63.546000 Cu 0.633234 0.475885 0.249997 1241 63.546 0.129032 -3.53047 63.546000 Cu 0.697377 0.481752 1.16841e-16 1239 63.546 3.83345 -3.47487 63.546000 Cu 0.697374 0.481751 0.5 1243 63.546 3.83366 -3.4749 63.546000 Cu 0.756045 0.46414 1 1240 63.546 0.0765515 -3.53532 63.546000 Cu 0.756048 0.464141 0.5 1250 63.546 0.076522 -3.53531 63.546000 Cu 0.819687 0.471392 0.750042 1286 63.546 0.243071 -3.52397 63.546000 Cu 0.878368 0.452863 0.750031 1291 63.546 0.0186898 -3.53633 63.546000 Cu 0.878368 0.452863 0.249969 1292 63.546 0.0186898 -3.53633 63.546000 Cu 0.883283 0.475755 2.26136e-16 1293 63.546 0.13378 -3.52935 63.546000 Cu 0.819687 0.471392 0.249958 1295 63.546 0.243071 -3.52397 63.546000 Cu 0.883217 0.475754 0.5 1297 63.546 0.135717 -3.52936 63.546000 Cu 0.942324 0.458619 8.47905e-20 1294 63.546 0.00342781 -3.5394 63.546000 Cu 0.942279 0.458605 0.5 1304 63.546 0.00304839 -3.53936 63.546000 Cu 0.947529 0.481617 0.749579 1330 63.546 3.78776 -3.47555 63.546000 Cu 0.947529 0.481617 0.250421 1331 63.546 3.78776 -3.47555 63.546000 Cu 0.0289489 0.511076 0.5 47 63.546 9.39584 -3.44846 63.546000 Cu 0.0280038 0.511188 1 54 63.546 9.32996 -3.44873 63.546000 Cu 0.0100653 0.486863 1.73651e-16 1332 63.546 6.20497 -3.47675 63.546000 Cu 0.0105623 0.486848 0.5 1340 63.546 6.12588 -3.47487 63.546000 Cu 0.0771751 0.495848 0.75132 1360 63.546 4.59599 -3.38445 63.546000 Cu 0.0771751 0.495848 0.24868 1365 63.546 4.59599 -3.38445 63.546000 Cu 0.140391 0.498349 0.5 1366 63.546 8.73045 -3.26367 63.546000 Cu 0.27913 0.511143 0.250792 20 63.546 9.36174 -3.44901 63.546000 Cu 0.217115 0.506811 0.5 21 63.546 7.14505 -3.44957 63.546000 Cu 0.27913 0.511143 0.749208 27 63.546 9.36174 -3.44901 63.546000 Cu 0.21816 0.506941 6.95282e-17 28 63.546 7.65465 -3.37799 63.546000 Cu 0.260335 0.48688 0.250221 84 63.546 6.17257 -3.48167 63.546000 Cu 0.260335 0.48688 0.749779 626 63.546 6.17257 -3.48167 63.546000 Cu 0.326877 0.495536 0.5 53 63.546 4.66696 -3.47593 63.546000 Cu 0.326856 0.495599 1.7382e-16 193 63.546 4.75072 -3.47589 63.546000 Cu 0.391147 0.498338 0.749943 1165 63.546 5.35802 -3.46807 63.546000 Cu 0.391147 0.498338 0.250057 1166 63.546 5.35802 -3.46807 63.546000 Cu 0.46694 0.506943 0.249978 5 63.546 6.87987 -3.44247 63.546000 Cu 0.46694 0.506943 0.750022 13 63.546 6.87987 -3.44247 63.546000 Cu 0.52875 0.511322 0.5 1 63.546 9.402 -3.45104 63.546000 Cu 0.528762 0.511323 3.39162e-19 3 63.546 9.40423 -3.45102 63.546000 Cu 0.510163 0.486971 2.26645e-16 1170 63.546 6.16163 -3.48285 63.546000 Cu 0.510158 0.48697 0.5 1173 63.546 6.16275 -3.48281 63.546000 Cu 0.576711 0.495763 0.749991 1233 63.546 4.73478 -3.47609 63.546000 Cu 0.576711 0.495763 0.250009 1234 63.546 4.73478 -3.47609 63.546000 Cu 0.641087 0.498462 5.46983e-16 1235 63.546 5.31001 -3.4684 63.546000 Cu 0.641087 0.498465 0.5 1242 63.546 5.30792 -3.46842 63.546000 Cu 0.778668 0.511279 0.249994 133 63.546 9.40091 -3.44976 63.546000 Cu 0.778668 0.511279 0.750006 134 63.546 9.40091 -3.44976 63.546000 Cu 0.716779 0.506997 0.5 135 63.546 6.87668 -3.44339 63.546000 Cu 0.716783 0.506996 1 137 63.546 6.87728 -3.44341 63.546000 Cu 0.759941 0.486967 0.749997 1287 63.546 6.17734 -3.48268 63.546000 Cu 0.759941 0.486967 0.250003 1288 63.546 6.17734 -3.48268 63.546000 Cu 0.826464 0.495642 1.00731e-16 1289 63.546 4.74492 -3.47825 63.546000 Cu 0.826458 0.49564 0.5 1296 63.546 4.7423 -3.47814 63.546000 Cu 0.890905 0.498286 0.750005 1328 63.546 5.36143 -3.46806 63.546000 Cu 0.890905 0.498286 0.249995 1333 63.546 5.36143 -3.46806 63.546000 Cu 0.966631 0.506806 0.251088 86 63.546 6.76767 -3.44199 63.546000 Cu 0.966631 0.506806 0.748912 87 63.546 6.76767 -3.44199 63.546000 Cu 0.098969 0.521482 0.5 51 63.546 5.64885 -3.47881 63.546000 Cu 0.0987066 0.521254 1.7382e-16 55 63.546 3.09509 -3.38719 63.546000 Cu 0.0403365 0.532186 0.250004 85 63.546 6.30097 -3.45932 63.546000 Cu 0.0994943 0.546528 0.249851 93 63.546 0.380051 -3.49741 63.546000 Cu 0.0994943 0.546528 0.750149 94 63.546 0.380051 -3.49741 63.546000 Cu 0.0403365 0.532186 0.749996 97 63.546 6.30097 -3.45932 63.546000 Cu 0.162899 0.518294 0.24276 49 63.546 9.63658 -3.37547 63.546000 Cu 0.162899 0.518294 0.75724 50 63.546 9.63658 -3.37547 63.546000 Cu 0.16124 0.540257 0.5 52 63.546 0.199633 -3.51686 63.546000 Cu 0.161367 0.54093 3.21865e-16 62 63.546 0.301505 -3.50972 63.546000 Cu 0.290026 0.5323 0.5 25 63.546 6.23686 -3.4578 63.546000 Cu 0.29006 0.532283 1.0726e-16 29 63.546 6.26726 -3.45936 63.546000 Cu 0.225491 0.532781 0.249991 48 63.546 4.81667 -3.49076 63.546000 Cu 0.225491 0.532781 0.750009 61 63.546 4.81667 -3.49076 63.546000 Cu 0.349136 0.521646 0.249982 23 63.546 5.8138 -3.45836 63.546000 Cu 0.349136 0.521646 0.750018 24 63.546 5.8138 -3.45836 63.546000 Cu 0.349235 0.546722 0.5 26 63.546 0.382419 -3.49952 63.546000 Cu 0.3492 0.546716 3.18812e-17 36 63.546 0.378048 -3.49952 63.546000 Cu 0.41343 0.519081 0.5 6 63.546 7.13943 -3.48808 63.546000 Cu 0.475974 0.533223 0.5 11 63.546 5.22045 -3.48015 63.546000 Cu 0.41343 0.51908 1.38929e-15 14 63.546 7.13902 -3.48816 63.546000 Cu 0.475962 0.533223 2.35972e-16 15 63.546 5.21888 -3.48018 63.546000 Cu 0.411311 0.541305 0.25004 22 63.546 0.296261 -3.5085 63.546000 Cu 0.411311 0.541305 0.74996 35 63.546 0.296261 -3.5085 63.546000 Cu 0.598932 0.521764 0.5 2 63.546 5.82894 -3.45786 63.546000 Cu 0.59893 0.521764 6.95027e-16 4 63.546 5.82843 -3.45784 63.546000 Cu 0.599297 0.546916 0.249986 8 63.546 0.384361 -3.49806 63.546000 Cu 0.540211 0.532447 0.250008 9 63.546 6.27032 -3.4614 63.546000 Cu 0.540211 0.532447 0.749992 10 63.546 6.27032 -3.4614 63.546000 Cu 0.599297 0.546916 0.750014 17 63.546 0.384361 -3.49806 63.546000 Cu 0.663289 0.519205 0.249999 192 63.546 7.17173 -3.48818 63.546000 Cu 0.661336 0.541448 0.5 198 63.546 0.313465 -3.5078 63.546000 Cu 0.663289 0.519205 0.750001 200 63.546 7.17173 -3.48818 63.546000 Cu 0.661335 0.54145 1 201 63.546 0.314067 -3.5078 63.546000 Cu 0.790233 0.532382 0.5 136 63.546 6.29153 -3.46036 63.546000 Cu 0.790224 0.532382 2.61579e-16 144 63.546 6.286 -3.46046 63.546000 Cu 0.725916 0.533246 0.249997 196 63.546 5.21345 -3.48062 63.546000 Cu 0.725916 0.533246 0.750003 197 63.546 5.21345 -3.48062 63.546000 Cu 0.848942 0.521608 0.249893 132 63.546 5.8457 -3.4586 63.546000 Cu 0.849356 0.546753 0.5 141 63.546 0.389219 -3.49704 63.546000 Cu 0.848942 0.521608 0.750107 143 63.546 5.8457 -3.4586 63.546000 Cu 0.849361 0.546751 1.95188e-16 145 63.546 0.390047 -3.49717 63.546000 Cu 0.913171 0.519018 0.5 88 63.546 7.16579 -3.48776 63.546000 Cu 0.976009 0.53301 0.5 89 63.546 5.23304 -3.48163 63.546000 Cu 0.913333 0.51899 1.04199e-15 91 63.546 7.15205 -3.48766 63.546000 Cu 0.975937 0.533059 1.77721e-16 98 63.546 5.20357 -3.48291 63.546000 Cu 0.911364 0.541226 0.249986 139 63.546 0.304217 -3.50778 63.546000 Cu 0.911364 0.541226 0.750014 140 63.546 0.304217 -3.50778 63.546000 Cu 0.0334444 0.55399 0.5 95 63.546 0.553141 -3.49775 63.546000 Cu 0.0923283 0.569899 0.5 96 63.546 0.0408676 -3.53658 63.546000 Cu 0.0334877 0.55399 2.97275e-16 99 63.546 0.545382 -3.49808 63.546000 Cu 0.0923876 0.569912 1.69581e-19 106 63.546 0.0375378 -3.53656 63.546000 Cu 0.0278257 0.57653 0.249952 147 63.546 0.11764 -3.53013 63.546000 Cu 0.0278257 0.57653 0.750048 148 63.546 0.11764 -3.53013 63.546000 Cu 0.15643 0.564143 0.250993 92 63.546 0.0410813 -3.53805 63.546000 Cu 0.15643 0.564143 0.749007 105 63.546 0.0410813 -3.53805 63.546000 Cu 0.283153 0.554038 0.249922 57 63.546 0.588285 -3.49429 63.546000 Cu 0.283153 0.554038 0.750078 58 63.546 0.588285 -3.49429 63.546000 Cu 0.219427 0.557148 0.5 59 63.546 0.332278 -3.51722 63.546000 Cu 0.277513 0.576526 0.5 60 63.546 0.128776 -3.52845 63.546000 Cu 0.219677 0.557271 1.69581e-19 63 63.546 0.323345 -3.516 63.546000 Cu 0.277598 0.576549 1.7382e-16 70 63.546 0.127013 -3.52916 63.546000 Cu 0.21398 0.581148 0.250072 101 63.546 0.0680664 -3.53359 63.546000 Cu 0.21398 0.581148 0.749928 102 63.546 0.0680664 -3.53359 63.546000 Cu 0.342124 0.570025 0.250044 56 63.546 0.0451297 -3.53724 63.546000 Cu 0.342124 0.570025 0.749956 69 63.546 0.0451297 -3.53724 63.546000 Cu 0.469735 0.557611 0.249978 31 63.546 0.308555 -3.5188 63.546000 Cu 0.469735 0.557611 0.750022 32 63.546 0.308555 -3.5188 63.546000 Cu 0.406299 0.564526 0.5 33 63.546 0.0501622 -3.53841 63.546000 Cu 0.463995 0.581432 0.5 34 63.546 0.0633742 -3.53493 63.546000 Cu 0.406278 0.564525 1.85945e-16 37 63.546 0.0497363 -3.53843 63.546000 Cu 0.463983 0.581426 3.0355e-17 43 63.546 0.0639242 -3.53495 63.546000 Cu 0.533348 0.55426 0.5 12 63.546 0.542635 -3.49855 63.546000 Cu 0.592233 0.570248 0.5 16 63.546 0.0423153 -3.53707 63.546000 Cu 0.533354 0.554259 5.21207e-16 18 63.546 0.54172 -3.49854 63.546000 Cu 0.592233 0.570249 3.36533e-16 19 63.546 0.0420876 -3.53707 63.546000 Cu 0.527674 0.576785 0.249985 30 63.546 0.120433 -3.52976 63.546000 Cu 0.527674 0.576785 0.750015 42 63.546 0.120433 -3.52976 63.546000 Cu 0.656345 0.564692 0.250006 263 63.546 0.0540001 -3.53824 63.546000 Cu 0.656345 0.564692 0.749994 264 63.546 0.0540001 -3.53824 63.546000 Cu 0.783362 0.554192 0.250026 195 63.546 0.542453 -3.49833 63.546000 Cu 0.719785 0.557661 0.5 199 63.546 0.307875 -3.51849 63.546000 Cu 0.777834 0.576726 0.5 205 63.546 0.117963 -3.52996 63.546000 Cu 0.783362 0.554192 0.749974 207 63.546 0.542453 -3.49833 63.546000 Cu 0.719787 0.55766 1.7382e-16 208 63.546 0.308263 -3.5185 63.546000 Cu 0.777833 0.576724 1 209 63.546 0.117573 -3.52997 63.546000 Cu 0.714148 0.581495 0.249993 262 63.546 0.0628044 -3.53483 63.546000 Cu 0.714148 0.581495 0.750007 271 63.546 0.0628044 -3.53483 63.546000 Cu 0.842365 0.570082 0.250011 203 63.546 0.0460549 -3.53679 63.546000 Cu 0.842365 0.570082 0.749989 204 63.546 0.0460549 -3.53679 63.546000 Cu 0.969893 0.55742 0.250018 138 63.546 0.317283 -3.51847 63.546000 Cu 0.90648 0.564469 0.5 142 63.546 0.0511511 -3.53822 63.546000 Cu 0.964211 0.581292 0.5 149 63.546 0.0632492 -3.53441 63.546000 Cu 0.969893 0.55742 0.749982 151 63.546 0.317283 -3.51847 63.546000 Cu 0.90648 0.564469 2.40805e-17 152 63.546 0.0511611 -3.5382 63.546000 Cu 0.964203 0.581289 3.47556e-16 153 63.546 0.0635447 -3.53439 63.546000 Cu 0.0859802 0.593272 0.249986 146 63.546 0.00603021 -3.53886 63.546000 Cu 0.0217626 0.599445 0.5 150 63.546 0.0240828 -3.5381 63.546000 Cu 0.079628 0.616562 0.5 157 63.546 0.00089053 -3.53952 63.546000 Cu 0.0859802 0.593272 0.750014 159 63.546 0.00603021 -3.53886 63.546000 Cu 0.0217626 0.599448 1.73905e-16 160 63.546 0.024405 -3.53807 63.546000 Cu 0.0796222 0.616561 7.1224e-18 161 63.546 0.000943013 -3.53952 63.546000 Cu 0.149961 0.587422 0.5 103 63.546 0.00425041 -3.53953 63.546000 Cu 0.150001 0.587362 2.9753e-16 107 63.546 0.00231455 -3.53959 63.546000 Cu 0.143642 0.610679 0.249878 155 63.546 0.000475276 -3.53972 63.546000 Cu 0.143642 0.610679 0.750122 156 63.546 0.000475276 -3.53972 63.546000 Cu 0.271509 0.599432 0.250013 100 63.546 0.0262467 -3.53789 63.546000 Cu 0.207635 0.604651 0.5 104 63.546 0.0154853 -3.53878 63.546000 Cu 0.271509 0.599432 0.749987 113 63.546 0.0262467 -3.53789 63.546000 Cu 0.207627 0.60464 1.54573e-16 114 63.546 0.015598 -3.5388 63.546000 Cu 0.399806 0.587624 0.250007 65 63.546 0.00564401 -3.53935 63.546000 Cu 0.399806 0.587624 0.749993 66 63.546 0.00564401 -3.53935 63.546000 Cu 0.335716 0.593336 0.5 67 63.546 0.00702771 -3.53921 63.546000 Cu 0.393465 0.610816 0.5 68 63.546 0.000883764 -3.53977 63.546000 Cu 0.335747 0.593346 2.30715e-16 71 63.546 0.00686722 -3.53912 63.546000 Cu 0.393474 0.610818 2.02649e-16 78 63.546 0.000899236 -3.53977 63.546000 Cu 0.329404 0.616591 0.250017 109 63.546 0.00105945 -3.53968 63.546000 Cu 0.329404 0.616591 0.749983 110 63.546 0.00105945 -3.53968 63.546000 Cu 0.45757 0.604843 0.249991 64 63.546 0.0150241 -3.53917 63.546000 Cu 0.45757 0.604843 0.750009 77 63.546 0.0150241 -3.53917 63.546000 Cu 0.585848 0.593563 0.250005 38 63.546 0.00611669 -3.53904 63.546000 Cu 0.585848 0.593563 0.749995 39 63.546 0.00611669 -3.53904 63.546000 Cu 0.521544 0.599662 0.5 40 63.546 0.0269938 -3.53774 63.546000 Cu 0.579505 0.616785 0.5 41 63.546 0.000874679 -3.53957 63.546000 Cu 0.521539 0.599659 1 44 63.546 0.0268698 -3.53772 63.546000 Cu 0.579506 0.616785 3.40264e-16 45 63.546 0.000874731 -3.53958 63.546000 Cu 0.649954 0.587801 0.5 265 63.546 0.00709473 -3.53917 63.546000 Cu 0.649953 0.5878 3.24239e-16 272 63.546 0.00704592 -3.53917 63.546000 Cu 0.643634 0.610982 0.249991 330 63.546 0.00137862 -3.53959 63.546000 Cu 0.643634 0.610982 0.750009 336 63.546 0.00137862 -3.53959 63.546000 Cu 0.771783 0.599623 0.249988 267 63.546 0.0250761 -3.53781 63.546000 Cu 0.771783 0.599623 0.750012 268 63.546 0.0250761 -3.53781 63.546000 Cu 0.707799 0.604928 0.5 269 63.546 0.0136997 -3.53911 63.546000 Cu 0.7078 0.604928 2.21557e-16 273 63.546 0.0136781 -3.53911 63.546000 Cu 0.836064 0.59343 0.5 206 63.546 0.00706185 -3.53885 63.546000 Cu 0.893803 0.61082 0.5 213 63.546 0.000847402 -3.53966 63.546000 Cu 0.836067 0.593429 1.69581e-19 216 63.546 0.00709629 -3.53885 63.546000 Cu 0.893801 0.610818 8.50448e-17 217 63.546 0.000827372 -3.53967 63.546000 Cu 0.829737 0.616687 0.250003 266 63.546 0.00112869 -3.53947 63.546000 Cu 0.829737 0.616687 0.749997 279 63.546 0.00112869 -3.53947 63.546000 Cu 0.900086 0.587593 0.25002 202 63.546 0.00527818 -3.5393 63.546000 Cu 0.900086 0.587593 0.74998 215 63.546 0.00527818 -3.5393 63.546000 Cu 0.957838 0.604749 0.249982 211 63.546 0.0142186 -3.53899 63.546000 Cu 0.957838 0.604749 0.750018 212 63.546 0.0142186 -3.53899 63.546000 Cu 0.0154575 0.622518 0.250012 210 63.546 0.00480961 -3.53952 63.546000 Cu 0.0732902 0.639812 0.249997 219 63.546 0.00018736 -3.53982 63.546000 Cu 0.0732902 0.639812 0.750003 220 63.546 0.00018736 -3.53982 63.546000 Cu 0.00925313 0.645682 0.5 221 63.546 0.000953958 -3.53987 63.546000 Cu 0.0154575 0.622518 0.749988 223 63.546 0.00480961 -3.53952 63.546000 Cu 0.00925649 0.645683 2.41992e-16 225 63.546 0.000954522 -3.53987 63.546000 Cu 0.137322 0.633954 0.5 158 63.546 0.000139942 -3.53982 63.546000 Cu 0.195116 0.651335 0.5 165 63.546 0.000864657 -3.53989 63.546000 Cu 0.137316 0.633961 1 168 63.546 0.000197897 -3.53982 63.546000 Cu 0.195113 0.651336 1.193e-16 169 63.546 0.000867984 -3.53989 63.546000 Cu 0.201309 0.62803 0.249981 154 63.546 0.00356744 -3.53964 63.546000 Cu 0.201309 0.62803 0.750019 167 63.546 0.00356744 -3.53964 63.546000 Cu 0.265252 0.622497 0.5 111 63.546 0.00524956 -3.53951 63.546000 Cu 0.26525 0.622493 4.59225e-16 115 63.546 0.00520797 -3.5395 63.546000 Cu 0.259061 0.645651 0.249982 163 63.546 0.000926599 -3.53987 63.546000 Cu 0.259061 0.645651 0.750018 164 63.546 0.000926599 -3.53987 63.546000 Cu 0.387187 0.634032 0.250006 108 63.546 0.000142958 -3.53986 63.546000 Cu 0.323135 0.639824 0.5 112 63.546 0.000154639 -3.53987 63.546000 Cu 0.387187 0.634032 0.749994 121 63.546 0.000142958 -3.53986 63.546000 Cu 0.323133 0.639822 3.5612e-17 122 63.546 0.000158263 -3.53987 63.546000 Cu 0.451252 0.62816 0.5 75 63.546 0.0038337 -3.53978 63.546000 Cu 0.451253 0.628162 4.13862e-16 79 63.546 0.00379355 -3.53978 63.546000 Cu 0.444984 0.651432 0.25 117 63.546 0.00103362 -3.53992 63.546000 Cu 0.444984 0.651432 0.75 118 63.546 0.00103362 -3.53992 63.546000 Cu 0.573169 0.639979 0.250007 72 63.546 0.000114197 -3.53974 63.546000 Cu 0.515266 0.622692 0.249989 73 63.546 0.00659094 -3.53932 63.546000 Cu 0.515266 0.622692 0.750011 74 63.546 0.00659094 -3.53932 63.546000 Cu 0.509001 0.645815 0.5 76 63.546 0.00183229 -3.53975 63.546000 Cu 0.573169 0.639979 0.749993 81 63.546 0.000114197 -3.53974 63.546000 Cu 0.509002 0.645815 3.15166e-16 82 63.546 0.00183519 -3.53975 63.546000 Cu 0.637318 0.634171 0.5 334 63.546 0.000313924 -3.5397 63.546000 Cu 0.695154 0.651488 0.5 335 63.546 0.000657329 -3.53983 63.546000 Cu 0.637318 0.634173 4.694e-16 337 63.546 0.000338044 -3.5397 63.546000 Cu 0.695157 0.65149 5.21377e-16 344 63.546 0.000639597 -3.53983 63.546000 Cu 0.701454 0.62824 0.250001 332 63.546 0.00293828 -3.53972 63.546000 Cu 0.701454 0.62824 0.749999 333 63.546 0.00293828 -3.53972 63.546000 Cu 0.76551 0.622654 0.5 270 63.546 0.00487896 -3.5393 63.546000 Cu 0.765508 0.622654 5.21292e-16 280 63.546 0.00487789 -3.53929 63.546000 Cu 0.759236 0.645776 0.249999 331 63.546 0.000907507 -3.53971 63.546000 Cu 0.759236 0.645776 0.750001 343 63.546 0.000907507 -3.53971 63.546000 Cu 0.887478 0.634052 0.249998 275 63.546 0.000199013 -3.53976 63.546000 Cu 0.887478 0.634052 0.750002 276 63.546 0.000199013 -3.53976 63.546000 Cu 0.823393 0.639907 0.5 277 63.546 0.000151872 -3.53972 63.546000 Cu 0.823393 0.639908 1.62967e-16 281 63.546 0.000147464 -3.53972 63.546000 Cu 0.951515 0.628107 0.5 214 63.546 0.00319196 -3.53967 63.546000 Cu 0.951516 0.628107 5.21292e-16 224 63.546 0.00318177 -3.53967 63.546000 Cu 0.945291 0.651388 0.249993 274 63.546 0.000780229 -3.53988 63.546000 Cu 0.945291 0.651388 0.750007 287 63.546 0.000780229 -3.53988 63.546000 Cu 0.0671486 0.663048 0.5 222 63.546 2.15097e-05 -3.53991 63.546000 Cu 0.06715 0.663048 1.72379e-16 232 63.546 2.13253e-05 -3.53991 63.546000 Cu 0.0610396 0.686266 0.250002 282 63.546 1.15796e-05 -3.53991 63.546000 Cu 0.00314425 0.668874 0.250002 283 63.546 0.000175717 -3.53991 63.546000 Cu 0.00314425 0.668874 0.749998 284 63.546 0.000175717 -3.53991 63.546000 Cu 0.0610396 0.686266 0.749998 295 63.546 1.15796e-05 -3.53991 63.546000 Cu 0.131132 0.657209 0.250018 218 63.546 5.33593e-05 -3.53991 63.546000 Cu 0.189026 0.674596 0.250002 227 63.546 0.000253038 -3.53995 63.546000 Cu 0.189026 0.674596 0.749998 228 63.546 0.000253038 -3.53995 63.546000 Cu 0.125049 0.680445 0.5 229 63.546 2.51062e-05 -3.53992 63.546000 Cu 0.131132 0.657209 0.749982 231 63.546 5.33593e-05 -3.53991 63.546000 Cu 0.125049 0.680445 5.14848e-16 233 63.546 2.52007e-05 -3.53992 63.546000 Cu 0.252977 0.668847 0.5 166 63.546 0.000138742 -3.53995 63.546000 Cu 0.252975 0.668849 3.17795e-16 176 63.546 0.000148336 -3.53995 63.546000 Cu 0.380974 0.65726 0.5 119 63.546 4.96251e-05 -3.53993 63.546000 Cu 0.380974 0.657258 1.7382e-16 123 63.546 4.61524e-05 -3.53993 63.546000 Cu 0.316967 0.663049 0.249995 162 63.546 3.92004e-05 -3.53994 63.546000 Cu 0.374855 0.680484 0.249997 171 63.546 4.93202e-05 -3.53996 63.546000 Cu 0.374855 0.680484 0.750003 172 63.546 4.93202e-05 -3.53996 63.546000 Cu 0.310901 0.68627 0.5 173 63.546 2.14319e-05 -3.53997 63.546000 Cu 0.316967 0.663049 0.750005 175 63.546 3.92004e-05 -3.53994 63.546000 Cu 0.310901 0.68627 1 177 63.546 2.18159e-05 -3.53997 63.546000 Cu 0.438833 0.67468 0.5 120 63.546 0.000264156 -3.53996 63.546000 Cu 0.438833 0.67468 2.36905e-16 129 63.546 0.000264271 -3.53996 63.546000 Cu 0.566903 0.663163 0.5 80 63.546 6.91701e-05 -3.53981 63.546000 Cu 0.566908 0.663162 1.7382e-16 83 63.546 6.30372e-05 -3.53981 63.546000 Cu 0.502819 0.668979 0.24999 116 63.546 0.00061686 -3.53987 63.546000 Cu 0.56079 0.686344 0.249986 124 63.546 6.10769e-05 -3.53988 63.546000 Cu 0.56079 0.686344 0.750014 125 63.546 6.10769e-05 -3.53988 63.546000 Cu 0.502819 0.668979 0.75001 128 63.546 0.00061686 -3.53987 63.546000 Cu 0.688941 0.674705 0.250009 398 63.546 0.00015819 -3.53985 63.546000 Cu 0.631032 0.657361 0.250011 399 63.546 0.000126491 -3.53977 63.546000 Cu 0.631032 0.657361 0.749989 400 63.546 0.000126491 -3.53977 63.546000 Cu 0.624837 0.680541 0.5 401 63.546 0.000117043 -3.53984 63.546000 Cu 0.688941 0.674705 0.749991 407 63.546 0.00015819 -3.53985 63.546000 Cu 0.624841 0.68054 2.17488e-16 408 63.546 0.000107881 -3.53984 63.546000 Cu 0.753031 0.668936 0.5 341 63.546 0.000173826 -3.5398 63.546000 Cu 0.753033 0.668937 1.60254e-17 345 63.546 0.000175124 -3.5398 63.546000 Cu 0.881255 0.657265 0.5 278 63.546 4.60476e-05 -3.53982 63.546000 Cu 0.881255 0.657264 3.47556e-16 288 63.546 4.32714e-05 -3.53982 63.546000 Cu 0.875067 0.680464 0.249994 338 63.546 2.1621e-05 -3.53984 63.546000 Cu 0.817151 0.663102 0.250003 339 63.546 2.39994e-05 -3.53979 63.546000 Cu 0.817151 0.663102 0.749997 340 63.546 2.39994e-05 -3.53979 63.546000 Cu 0.810979 0.686291 0.5 342 63.546 3.48807e-05 -3.53983 63.546000 Cu 0.875067 0.680464 0.750006 351 63.546 2.1621e-05 -3.53984 63.546000 Cu 0.81098 0.686293 6.10491e-17 352 63.546 3.48509e-05 -3.53983 63.546000 Cu 0.939137 0.674629 0.5 285 63.546 0.000187343 -3.5399 63.546000 Cu 0.939139 0.674629 4.64397e-16 289 63.546 0.000186611 -3.5399 63.546000 Cu 0.054951 0.709471 0.5 293 63.546 2.53856e-05 -3.53992 63.546000 Cu 0.0549506 0.70947 5.21292e-16 297 63.546 2.46198e-05 -3.53992 63.546000 Cu 0.182985 0.697842 0.5 230 63.546 6.62652e-05 -3.53995 63.546000 Cu 0.182985 0.697842 1.73905e-16 240 63.546 6.60428e-05 -3.53995 63.546000 Cu 0.176963 0.721065 0.250002 290 63.546 2.26288e-05 -3.53995 63.546000 Cu 0.118977 0.703661 0.250004 291 63.546 1.68345e-05 -3.53992 63.546000 Cu 0.118977 0.703661 0.749996 292 63.546 1.68345e-05 -3.53992 63.546000 Cu 0.176963 0.721065 0.749998 303 63.546 2.26288e-05 -3.53995 63.546000 Cu 0.246947 0.692065 0.250001 226 63.546 2.67725e-05 -3.53997 63.546000 Cu 0.240944 0.715284 0.5 237 63.546 1.44602e-05 -3.53996 63.546000 Cu 0.246947 0.692065 0.749999 239 63.546 2.67725e-05 -3.53997 63.546000 Cu 0.240945 0.715285 2.35463e-16 241 63.546 1.56341e-05 -3.53996 63.546000 Cu 0.368865 0.703709 0.5 174 63.546 1.89565e-05 -3.53998 63.546000 Cu 0.368863 0.703709 1.25236e-16 184 63.546 2.00781e-05 -3.53998 63.546000 Cu 0.304919 0.709491 0.250002 235 63.546 8.94049e-06 -3.53997 63.546000 Cu 0.304919 0.709491 0.749998 236 63.546 8.94049e-06 -3.53997 63.546000 Cu 0.496765 0.692157 0.5 126 63.546 0.000216919 -3.53992 63.546000 Cu 0.496762 0.692158 5.21292e-16 130 63.546 0.00022914 -3.53992 63.546000 Cu 0.432803 0.697913 0.25 170 63.546 7.21573e-05 -3.53998 63.546000 Cu 0.490838 0.715346 0.250001 179 63.546 5.78889e-05 -3.53994 63.546000 Cu 0.490838 0.715346 0.749999 180 63.546 5.78889e-05 -3.53994 63.546000 Cu 0.42689 0.721134 0.5 181 63.546 8.66179e-06 -3.53997 63.546000 Cu 0.432803 0.697913 0.75 183 63.546 7.21573e-05 -3.53998 63.546000 Cu 0.426888 0.721134 1.02766e-16 185 63.546 8.41583e-06 -3.53997 63.546000 Cu 0.554823 0.70953 0.5 127 63.546 2.49499e-05 -3.53992 63.546000 Cu 0.554822 0.709531 1 131 63.546 2.44072e-05 -3.53992 63.546000 Cu 0.682849 0.697906 0.5 405 63.546 7.58167e-05 -3.53991 63.546000 Cu 0.68285 0.697906 1 409 63.546 7.52081e-05 -3.53991 63.546000 Cu 0.618831 0.70373 0.249996 466 63.546 3.22673e-05 -3.53991 63.546000 Cu 0.676907 0.7211 0.249999 468 63.546 1.02013e-05 -3.53992 63.546000 Cu 0.676907 0.7211 0.750001 469 63.546 1.02013e-05 -3.53992 63.546000 Cu 0.618831 0.70373 0.750004 472 63.546 3.22673e-05 -3.53991 63.546000 Cu 0.746891 0.692113 0.250002 403 63.546 9.61223e-05 -3.53986 63.546000 Cu 0.746891 0.692113 0.749998 404 63.546 9.61223e-05 -3.53986 63.546000 Cu 0.740901 0.715297 0.5 406 63.546 2.09188e-05 -3.5399 63.546000 Cu 0.740901 0.715297 2.52676e-16 416 63.546 2.1871e-05 -3.5399 63.546000 Cu 0.86896 0.703664 0.5 349 63.546 2.56274e-05 -3.5399 63.546000 Cu 0.86896 0.703665 1 353 63.546 2.62965e-05 -3.5399 63.546000 Cu 0.804921 0.709477 0.250009 402 63.546 2.71773e-05 -3.53989 63.546000 Cu 0.804921 0.709477 0.749991 415 63.546 2.71773e-05 -3.53989 63.546000 Cu 0.997008 0.692071 0.5 286 63.546 4.31681e-05 -3.53991 63.546000 Cu 0.99701 0.69207 1.73905e-16 296 63.546 4.04731e-05 -3.53991 63.546000 Cu 0.990937 0.715268 0.249995 346 63.546 2.38095e-05 -3.53993 63.546000 Cu 0.932985 0.697849 0.249996 347 63.546 6.38624e-05 -3.53992 63.546000 Cu 0.932985 0.697849 0.750004 348 63.546 6.38624e-05 -3.53992 63.546000 Cu 0.926945 0.721061 0.5 350 63.546 1.27575e-05 -3.53994 63.546000 Cu 0.990937 0.715268 0.750005 359 63.546 2.38095e-05 -3.53993 63.546000 Cu 0.926945 0.721062 1.87387e-16 360 63.546 1.26049e-05 -3.53994 63.546000 Cu 0.0489453 0.732667 0.249996 355 63.546 1.49384e-05 -3.53992 63.546000 Cu 0.0489453 0.732667 0.750004 356 63.546 1.49384e-05 -3.53992 63.546000 Cu 0.0430116 0.755864 0.5 358 63.546 3.67096e-05 -3.53994 63.546000 Cu 0.0430099 0.755864 4.1488e-16 368 63.546 3.89076e-05 -3.53994 63.546000 Cu 0.112957 0.726861 0.5 294 63.546 1.26426e-05 -3.53992 63.546000 Cu 0.17098 0.744268 0.5 301 63.546 2.22351e-05 -3.53995 63.546000 Cu 0.112957 0.72686 2.26899e-16 304 63.546 1.26564e-05 -3.53992 63.546000 Cu 0.170981 0.744268 6.08711e-16 305 63.546 2.2197e-05 -3.53995 63.546000 Cu 0.106993 0.750056 0.249998 354 63.546 3.77979e-05 -3.53994 63.546000 Cu 0.106993 0.750056 0.750002 367 63.546 3.77979e-05 -3.53994 63.546000 Cu 0.298954 0.732705 0.5 238 63.546 5.75872e-06 -3.53996 63.546000 Cu 0.298956 0.732705 2.55898e-16 248 63.546 5.35222e-06 -3.53996 63.546000 Cu 0.293015 0.755912 0.25 298 63.546 2.4251e-05 -3.53995 63.546000 Cu 0.23497 0.738494 0.250001 299 63.546 1.28825e-05 -3.53995 63.546000 Cu 0.23497 0.738494 0.749999 300 63.546 1.28825e-05 -3.53995 63.546000 Cu 0.293015 0.755912 0.75 311 63.546 2.4251e-05 -3.53995 63.546000 Cu 0.362932 0.726925 0.250002 234 63.546 9.28192e-06 -3.53996 63.546000 Cu 0.357001 0.75013 0.5 245 63.546 1.259e-05 -3.53995 63.546000 Cu 0.362932 0.726925 0.749998 247 63.546 9.28192e-06 -3.53996 63.546000 Cu 0.357001 0.75013 2.37074e-16 249 63.546 1.22552e-05 -3.53995 63.546000 Cu 0.484963 0.738541 0.5 182 63.546 1.37317e-05 -3.53993 63.546000 Cu 0.484961 0.738541 1.69581e-19 189 63.546 1.45615e-05 -3.53993 63.546000 Cu 0.420985 0.744344 0.250002 243 63.546 1.94166e-05 -3.53995 63.546000 Cu 0.420985 0.744344 0.749998 244 63.546 1.94166e-05 -3.53995 63.546000 Cu 0.548938 0.732721 0.249998 178 63.546 8.95794e-06 -3.53993 63.546000 Cu 0.543073 0.755921 0.5 186 63.546 8.32922e-06 -3.53995 63.546000 Cu 0.548938 0.732721 0.750002 188 63.546 8.95794e-06 -3.53993 63.546000 Cu 0.543071 0.755921 5.21292e-16 190 63.546 8.99367e-06 -3.53995 63.546000 Cu 0.612915 0.726918 0.5 470 63.546 1.08478e-05 -3.53992 63.546000 Cu 0.671003 0.744287 0.5 471 63.546 2.18675e-05 -3.53992 63.546000 Cu 0.612916 0.726918 1.73651e-16 473 63.546 9.96736e-06 -3.53992 63.546000 Cu 0.671003 0.744287 1.06836e-17 480 63.546 2.16793e-05 -3.53992 63.546000 Cu 0.607033 0.750108 0.249995 533 63.546 1.66818e-05 -3.53993 63.546000 Cu 0.607033 0.750108 0.750005 534 63.546 1.66818e-05 -3.53993 63.546000 Cu 0.798959 0.732667 0.5 413 63.546 1.85103e-05 -3.53992 63.546000 Cu 0.798959 0.732666 4.31329e-16 417 63.546 1.90097e-05 -3.53992 63.546000 Cu 0.734977 0.738484 0.249999 467 63.546 1.34048e-05 -3.53992 63.546000 Cu 0.793061 0.755862 0.250002 475 63.546 3.23781e-05 -3.53994 63.546000 Cu 0.793061 0.755862 0.749998 476 63.546 3.23781e-05 -3.53994 63.546000 Cu 0.734977 0.738484 0.750001 479 63.546 1.34048e-05 -3.53992 63.546000 Cu 0.862947 0.726861 0.250001 411 63.546 1.83342e-05 -3.53993 63.546000 Cu 0.862947 0.726861 0.749999 412 63.546 1.83342e-05 -3.53993 63.546000 Cu 0.857009 0.750062 0.5 414 63.546 3.2394e-05 -3.53995 63.546000 Cu 0.857009 0.750062 2.97021e-16 424 63.546 3.24894e-05 -3.53995 63.546000 Cu 0.984948 0.738471 0.5 357 63.546 2.57034e-05 -3.53994 63.546000 Cu 0.984947 0.738472 1.81367e-16 361 63.546 2.71135e-05 -3.53994 63.546000 Cu 0.920969 0.744267 0.250001 410 63.546 3.46185e-05 -3.53995 63.546000 Cu 0.920969 0.744267 0.749999 423 63.546 3.46185e-05 -3.53995 63.546000 Cu 0.0371972 0.77906 0.249998 418 63.546 3.4258e-05 -3.53995 63.546000 Cu 0.0371972 0.77906 0.750002 431 63.546 3.4258e-05 -3.53995 63.546000 Cu 0.101134 0.773253 0.5 365 63.546 5.02525e-05 -3.53995 63.546000 Cu 0.101132 0.773253 5.26294e-16 369 63.546 5.32292e-05 -3.53995 63.546000 Cu 0.165081 0.767466 0.249996 363 63.546 4.68801e-05 -3.53996 63.546000 Cu 0.165081 0.767466 0.750004 364 63.546 4.68801e-05 -3.53996 63.546000 Cu 0.159312 0.790663 0.5 366 63.546 3.98827e-05 -3.53996 63.546000 Cu 0.159311 0.790663 1.69581e-19 376 63.546 4.11299e-05 -3.53996 63.546000 Cu 0.229037 0.761691 0.5 302 63.546 4.42472e-05 -3.53995 63.546000 Cu 0.287161 0.779106 0.5 309 63.546 6.67671e-05 -3.53995 63.546000 Cu 0.229038 0.761691 8.47905e-20 312 63.546 4.33295e-05 -3.53995 63.546000 Cu 0.287161 0.779106 1.83063e-16 313 63.546 6.56463e-05 -3.53995 63.546000 Cu 0.223233 0.784885 0.249999 362 63.546 4.14456e-05 -3.53996 63.546000 Cu 0.223233 0.784885 0.750001 375 63.546 4.14456e-05 -3.53996 63.546000 Cu 0.35112 0.773325 0.250001 307 63.546 5.63569e-05 -3.53994 63.546000 Cu 0.35112 0.773325 0.749999 308 63.546 5.63569e-05 -3.53994 63.546000 Cu 0.4791 0.761736 0.250004 242 63.546 1.24218e-05 -3.53993 63.546000 Cu 0.415109 0.767545 0.5 246 63.546 5.46065e-05 -3.53993 63.546000 Cu 0.473297 0.784926 0.5 253 63.546 2.8523e-05 -3.53993 63.546000 Cu 0.4791 0.761736 0.749996 255 63.546 1.24218e-05 -3.53993 63.546000 Cu 0.415109 0.767545 2.90407e-16 256 63.546 5.51124e-05 -3.53993 63.546000 Cu 0.473297 0.784926 1.46772e-16 257 63.546 2.84933e-05 -3.53993 63.546000 Cu 0.409321 0.79073 0.250001 306 63.546 7.85482e-05 -3.53992 63.546000 Cu 0.409321 0.79073 0.749999 319 63.546 7.85482e-05 -3.53992 63.546000 Cu 0.537261 0.779123 0.250005 251 63.546 2.88846e-05 -3.53994 63.546000 Cu 0.537261 0.779123 0.749995 252 63.546 2.88846e-05 -3.53994 63.546000 Cu 0.601216 0.773303 0.5 187 63.546 1.81815e-05 -3.53994 63.546000 Cu 0.601215 0.773304 8.47905e-20 191 63.546 2.01747e-05 -3.53994 63.546000 Cu 0.665169 0.767478 0.249997 532 63.546 2.73126e-05 -3.53994 63.546000 Cu 0.659415 0.790674 0.5 538 63.546 2.46161e-05 -3.53995 63.546000 Cu 0.665169 0.767478 0.750003 540 63.546 2.73126e-05 -3.53994 63.546000 Cu 0.659415 0.790675 5.07386e-16 541 63.546 2.40418e-05 -3.53995 63.546000 Cu 0.729114 0.761673 0.5 477 63.546 2.26006e-05 -3.53994 63.546000 Cu 0.787266 0.779055 0.5 478 63.546 2.81517e-05 -3.53995 63.546000 Cu 0.729113 0.761673 5.77084e-16 481 63.546 2.35124e-05 -3.53994 63.546000 Cu 0.787265 0.779055 1.7382e-16 488 63.546 2.94085e-05 -3.53995 63.546000 Cu 0.723344 0.784866 0.25 536 63.546 1.64379e-05 -3.53995 63.546000 Cu 0.723344 0.784866 0.75 537 63.546 1.64379e-05 -3.53995 63.546000 Cu 0.851182 0.773261 0.250002 474 63.546 2.71011e-05 -3.53996 63.546000 Cu 0.851182 0.773261 0.749998 487 63.546 2.71011e-05 -3.53996 63.546000 Cu 0.979047 0.761673 0.250001 419 63.546 5.07145e-05 -3.53995 63.546000 Cu 0.979047 0.761673 0.749999 420 63.546 5.07145e-05 -3.53995 63.546000 Cu 0.915108 0.767469 0.5 421 63.546 3.39388e-05 -3.53996 63.546000 Cu 0.973275 0.784872 0.5 422 63.546 3.40551e-05 -3.53996 63.546000 Cu 0.915108 0.76747 7.91095e-17 425 63.546 3.51781e-05 -3.53996 63.546000 Cu 0.973274 0.784872 3.21695e-16 432 63.546 3.46841e-05 -3.53996 63.546000 Cu 0.909359 0.790666 0.250005 483 63.546 3.19176e-05 -3.53995 63.546000 Cu 0.909359 0.790666 0.749995 484 63.546 3.19176e-05 -3.53995 63.546000 Cu 0.0954007 0.796449 0.25 427 63.546 4.82009e-05 -3.53995 63.546000 Cu 0.0954007 0.796449 0.75 428 63.546 4.82009e-05 -3.53995 63.546000 Cu 0.0314996 0.802255 0.5 429 63.546 3.06814e-05 -3.53995 63.546000 Cu 0.0897907 0.819642 0.5 430 63.546 1.56158e-05 -3.53994 63.546000 Cu 0.0314992 0.802255 0 433 63.546 3.11363e-05 -3.53995 63.546000 Cu 0.0897905 0.819642 2.48266e-16 440 63.546 1.56576e-05 -3.53994 63.546000 Cu 0.0259041 0.82544 0.250003 491 63.546 1.7692e-05 -3.53992 63.546000 Cu 0.0259041 0.82544 0.749997 492 63.546 1.7692e-05 -3.53992 63.546000 Cu 0.153666 0.813856 0.249999 426 63.546 1.97194e-05 -3.53995 63.546000 Cu 0.153666 0.813856 0.750001 439 63.546 1.97194e-05 -3.53995 63.546000 Cu 0.28146 0.802293 0.25 371 63.546 3.87142e-05 -3.53993 63.546000 Cu 0.28146 0.802293 0.75 372 63.546 3.87142e-05 -3.53993 63.546000 Cu 0.217551 0.808078 0.5 373 63.546 3.68154e-05 -3.53995 63.546000 Cu 0.27587 0.825473 0.5 374 63.546 1.41391e-05 -3.53991 63.546000 Cu 0.217551 0.808078 1 377 63.546 3.69316e-05 -3.53995 63.546000 Cu 0.27587 0.825473 5.10269e-16 384 63.546 1.44682e-05 -3.53991 63.546000 Cu 0.345374 0.79651 0.5 310 63.546 6.56081e-05 -3.53993 63.546000 Cu 0.345375 0.79651 5.52919e-16 320 63.546 6.48195e-05 -3.53993 63.546000 Cu 0.33978 0.819692 0.249999 370 63.546 9.62963e-06 -3.53992 63.546000 Cu 0.33978 0.819692 0.750001 383 63.546 9.62963e-06 -3.53992 63.546000 Cu 0.467598 0.808108 0.249999 315 63.546 3.75669e-05 -3.53993 63.546000 Cu 0.467598 0.808108 0.750001 316 63.546 3.75669e-05 -3.53993 63.546000 Cu 0.403683 0.813902 0.5 317 63.546 1.90936e-05 -3.53991 63.546000 Cu 0.403683 0.813902 3.02448e-16 321 63.546 1.92034e-05 -3.53991 63.546000 Cu 0.595475 0.796493 0.250003 250 63.546 3.50011e-05 -3.53993 63.546000 Cu 0.531534 0.802312 0.5 254 63.546 5.94176e-05 -3.53992 63.546000 Cu 0.589849 0.819675 0.5 258 63.546 1.43802e-05 -3.53992 63.546000 Cu 0.595475 0.796493 0.749997 259 63.546 3.50011e-05 -3.53993 63.546000 Cu 0.531534 0.802311 0 260 63.546 5.87606e-05 -3.53992 63.546000 Cu 0.589849 0.819674 6.24736e-16 261 63.546 1.47186e-05 -3.53992 63.546000 Cu 0.525931 0.825485 0.25 314 63.546 1.15381e-05 -3.5399 63.546000 Cu 0.525931 0.825485 0.75 326 63.546 1.15381e-05 -3.5399 63.546000 Cu 0.653751 0.813866 0.250003 589 63.546 2.20461e-05 -3.53995 63.546000 Cu 0.653751 0.813866 0.749997 590 63.546 2.20461e-05 -3.53995 63.546000 Cu 0.78156 0.802246 0.249998 535 63.546 4.02812e-05 -3.53994 63.546000 Cu 0.717651 0.80806 0.5 539 63.546 2.86993e-05 -3.53995 63.546000 Cu 0.775949 0.825432 0.5 545 63.546 3.92799e-05 -3.53993 63.546000 Cu 0.78156 0.802246 0.750002 547 63.546 4.02812e-05 -3.53994 63.546000 Cu 0.717652 0.808061 5.21377e-16 548 63.546 2.84208e-05 -3.53995 63.546000 Cu 0.775949 0.825432 1 549 63.546 3.75158e-05 -3.53993 63.546000 Cu 0.845455 0.796455 0.5 485 63.546 3.26985e-05 -3.53995 63.546000 Cu 0.845455 0.796455 1 489 63.546 3.23141e-05 -3.53995 63.546000 Cu 0.839837 0.819647 0.249999 543 63.546 1.19002e-05 -3.53994 63.546000 Cu 0.839837 0.819647 0.750001 544 63.546 1.19002e-05 -3.53994 63.546000 Cu 0.967599 0.808067 0.250003 482 63.546 4.08652e-05 -3.53995 63.546000 Cu 0.903715 0.813856 0.5 486 63.546 1.76846e-05 -3.53994 63.546000 Cu 0.967599 0.808067 0.749997 495 63.546 4.08652e-05 -3.53995 63.546000 Cu 0.903715 0.813856 3.3382e-16 496 63.546 1.74117e-05 -3.53994 63.546000 Cu 0.0842378 0.842829 0.250003 490 63.546 1.47252e-05 -3.53993 63.546000 Cu 0.0203593 0.848614 0.5 494 63.546 8.16242e-05 -3.5399 63.546000 Cu 0.0842378 0.842829 0.749997 503 63.546 1.47252e-05 -3.53993 63.546000 Cu 0.0203597 0.848613 2.40211e-16 504 63.546 8.28174e-05 -3.5399 63.546000 Cu 0.148105 0.83705 0.5 437 63.546 6.28378e-06 -3.53994 63.546000 Cu 0.148105 0.83705 8.68763e-16 441 63.546 6.44482e-06 -3.53994 63.546000 Cu 0.142585 0.860241 0.250002 499 63.546 2.66441e-05 -3.53992 63.546000 Cu 0.142585 0.860241 0.749998 500 63.546 2.66441e-05 -3.53992 63.546000 Cu 0.270326 0.848646 0.25 434 63.546 6.42002e-05 -3.53989 63.546000 Cu 0.211971 0.831273 0.25 435 63.546 3.62751e-05 -3.53995 63.546000 Cu 0.211971 0.831273 0.75 436 63.546 3.62751e-05 -3.53995 63.546000 Cu 0.206437 0.854473 0.5 438 63.546 0.000151171 -3.53995 63.546000 Cu 0.270326 0.848646 0.75 447 63.546 6.42002e-05 -3.53989 63.546000 Cu 0.206437 0.854474 4.61345e-16 448 63.546 0.0001518 -3.53995 63.546000 Cu 0.398132 0.837078 0.250001 379 63.546 5.10796e-06 -3.53992 63.546000 Cu 0.398132 0.837078 0.749999 380 63.546 5.10796e-06 -3.53992 63.546000 Cu 0.334233 0.842869 0.5 381 63.546 9.10556e-06 -3.53991 63.546000 Cu 0.392605 0.86026 0.5 382 63.546 2.82157e-05 -3.53991 63.546000 Cu 0.334232 0.842869 7.24704e-16 385 63.546 9.25466e-06 -3.53991 63.546000 Cu 0.392605 0.860259 2.31563e-16 392 63.546 2.91521e-05 -3.53991 63.546000 Cu 0.462021 0.83129 0.5 318 63.546 2.1033e-05 -3.53994 63.546000 Cu 0.462021 0.83129 1.7399e-16 327 63.546 2.13136e-05 -3.53994 63.546000 Cu 0.456479 0.854482 0.250001 378 63.546 0.000140568 -3.53995 63.546000 Cu 0.456479 0.854482 0.749999 391 63.546 0.000140568 -3.53995 63.546000 Cu 0.58429 0.84285 0.249999 322 63.546 1.12531e-05 -3.53991 63.546000 Cu 0.58429 0.84285 0.750001 323 63.546 1.12531e-05 -3.53991 63.546000 Cu 0.520381 0.848646 0.5 324 63.546 4.42123e-05 -3.53987 63.546000 Cu 0.520382 0.848646 3.39162e-19 328 63.546 4.30351e-05 -3.53987 63.546000 Cu 0.64818 0.837055 0.5 591 63.546 7.08402e-06 -3.53994 63.546000 Cu 0.64818 0.837054 1.7382e-16 598 63.546 6.8772e-06 -3.53994 63.546000 Cu 0.642645 0.860239 0.25 630 63.546 2.66194e-05 -3.53992 63.546000 Cu 0.642645 0.860239 0.75 636 63.546 2.66194e-05 -3.53992 63.546000 Cu 0.712055 0.831251 0.250002 588 63.546 2.0156e-05 -3.53995 63.546000 Cu 0.770396 0.84861 0.250002 593 63.546 9.29983e-05 -3.53991 63.546000 Cu 0.770396 0.84861 0.749998 594 63.546 9.29983e-05 -3.53991 63.546000 Cu 0.706511 0.85445 0.5 595 63.546 9.80125e-05 -3.53996 63.546000 Cu 0.712055 0.831251 0.749998 597 63.546 2.0156e-05 -3.53995 63.546000 Cu 0.706511 0.85445 6.94943e-16 599 63.546 9.75197e-05 -3.53996 63.546000 Cu 0.898155 0.837045 0.249998 542 63.546 4.74573e-06 -3.53993 63.546000 Cu 0.83428 0.842832 0.5 546 63.546 9.42953e-06 -3.53992 63.546000 Cu 0.892631 0.86023 0.5 553 63.546 2.31557e-05 -3.53992 63.546000 Cu 0.898155 0.837045 0.750002 555 63.546 4.74573e-06 -3.53993 63.546000 Cu 0.83428 0.842832 4.48542e-17 556 63.546 9.72288e-06 -3.53992 63.546000 Cu 0.892631 0.86023 3.69856e-16 557 63.546 2.31132e-05 -3.53992 63.546000 Cu 0.962017 0.831257 0.5 493 63.546 4.20987e-05 -3.53995 63.546000 Cu 0.962018 0.831257 1.7382e-16 497 63.546 4.08753e-05 -3.53995 63.546000 Cu 0.956483 0.854453 0.249998 551 63.546 0.000148504 -3.53996 63.546000 Cu 0.956483 0.854453 0.750002 552 63.546 0.000148504 -3.53996 63.546000 Cu 0.078743 0.866009 0.5 501 63.546 2.03145e-05 -3.53991 63.546000 Cu 0.0787438 0.866009 2.66157e-16 505 63.546 1.97947e-05 -3.53991 63.546000 Cu 0.0148862 0.871779 0.249999 550 63.546 0.000293791 -3.53985 63.546000 Cu 0.0733229 0.889189 0.249999 559 63.546 2.37937e-05 -3.53987 63.546000 Cu 0.0733229 0.889189 0.750001 560 63.546 2.37937e-05 -3.53987 63.546000 Cu 0.00947158 0.894931 0.5 561 63.546 0.00115677 -3.53976 63.546000 Cu 0.0148862 0.871779 0.750001 563 63.546 0.000293791 -3.53985 63.546000 Cu 0.00947134 0.894931 1.58897e-16 565 63.546 0.00115978 -3.53975 63.546000 Cu 0.137153 0.883431 0.5 502 63.546 5.86193e-05 -3.53987 63.546000 Cu 0.137154 0.883431 3.28309e-16 512 63.546 5.83201e-05 -3.53987 63.546000 Cu 0.200968 0.877682 0.250001 498 63.546 0.00055514 -3.53995 63.546000 Cu 0.200968 0.877682 0.749999 511 63.546 0.00055514 -3.53995 63.546000 Cu 0.264854 0.871812 0.5 445 63.546 0.000223694 -3.53984 63.546000 Cu 0.264854 0.871812 1.95103e-16 449 63.546 0.000222297 -3.53984 63.546000 Cu 0.259447 0.894958 0.25 507 63.546 0.000999061 -3.53973 63.546000 Cu 0.259447 0.894958 0.75 508 63.546 0.000999061 -3.53973 63.546000 Cu 0.387163 0.883445 0.25 442 63.546 6.47179e-05 -3.53987 63.546000 Cu 0.328733 0.86604 0.250001 443 63.546 1.72308e-05 -3.53989 63.546000 Cu 0.328733 0.86604 0.749999 444 63.546 1.72308e-05 -3.53989 63.546000 Cu 0.323313 0.889209 0.5 446 63.546 2.15138e-05 -3.53985 63.546000 Cu 0.387163 0.883445 0.75 455 63.546 6.47179e-05 -3.53987 63.546000 Cu 0.323313 0.889209 1 456 63.546 2.12068e-05 -3.53985 63.546000 Cu 0.450996 0.877687 0.5 389 63.546 0.000570023 -3.53995 63.546000 Cu 0.450996 0.877687 0 393 63.546 0.000571078 -3.53995 63.546000 Cu 0.57878 0.866023 0.5 325 63.546 2.08691e-05 -3.5399 63.546000 Cu 0.57878 0.866023 1 329 63.546 2.05671e-05 -3.5399 63.546000 Cu 0.573349 0.889197 0.249999 386 63.546 2.66384e-05 -3.53986 63.546000 Cu 0.514897 0.871804 0.250001 387 63.546 0.000245882 -3.53983 63.546000 Cu 0.514897 0.871804 0.749999 388 63.546 0.000245882 -3.53983 63.546000 Cu 0.509478 0.89495 0.5 390 63.546 0.00108819 -3.53973 63.546000 Cu 0.573349 0.889197 0.750001 395 63.546 2.66384e-05 -3.53986 63.546000 Cu 0.509478 0.89495 1.71785e-16 396 63.546 0.00108841 -3.53973 63.546000 Cu 0.637196 0.883425 0.5 634 63.546 6.87794e-05 -3.53988 63.546000 Cu 0.637197 0.883425 2.05362e-16 637 63.546 6.8623e-05 -3.53988 63.546000 Cu 0.701022 0.877659 0.25 632 63.546 0.000472583 -3.53996 63.546000 Cu 0.701022 0.877659 0.75 633 63.546 0.000472583 -3.53996 63.546000 Cu 0.764908 0.871781 0.5 596 63.546 0.000269272 -3.53986 63.546000 Cu 0.764908 0.871781 3.47556e-16 606 63.546 0.000269086 -3.53986 63.546000 Cu 0.759485 0.894932 0.250001 631 63.546 0.00106137 -3.53975 63.546000 Cu 0.759485 0.894932 0.749999 643 63.546 0.00106137 -3.53975 63.546000 Cu 0.828777 0.866009 0.250001 592 63.546 1.43081e-05 -3.5399 63.546000 Cu 0.887184 0.883417 0.249999 601 63.546 7.05004e-05 -3.53988 63.546000 Cu 0.887184 0.883417 0.750001 602 63.546 7.05004e-05 -3.53988 63.546000 Cu 0.823343 0.889182 0.5 603 63.546 2.57656e-05 -3.53986 63.546000 Cu 0.828777 0.866009 0.749999 605 63.546 1.43081e-05 -3.5399 63.546000 Cu 0.823343 0.889183 1 607 63.546 2.59816e-05 -3.53986 63.546000 Cu 0.951005 0.877659 0.5 554 63.546 0.000545329 -3.53996 63.546000 Cu 0.951005 0.877659 1.73736e-16 564 63.546 0.000544519 -3.53996 63.546000 Cu 0.0679735 0.912353 0.5 562 63.546 6.66704e-05 -3.53981 63.546000 Cu 0.0679733 0.912353 1 572 63.546 6.65118e-05 -3.53981 63.546000 Cu 0.00412765 0.918057 0.249999 609 63.546 0.00431092 -3.53946 63.546000 Cu 0.00412765 0.918057 0.750001 610 63.546 0.00431092 -3.53946 63.546000 Cu 0.195567 0.900922 0.5 509 63.546 0.00250354 -3.53988 63.546000 Cu 0.195568 0.900922 1.69581e-19 513 63.546 0.00250024 -3.53988 63.546000 Cu 0.131794 0.906611 0.249999 558 63.546 0.000393313 -3.53973 63.546000 Cu 0.190224 0.924219 0.249999 567 63.546 0.0110068 -3.5394 63.546000 Cu 0.190224 0.924219 0.750001 568 63.546 0.0110068 -3.5394 63.546000 Cu 0.126522 0.929766 0.5 569 63.546 0.0026096 -3.53931 63.546000 Cu 0.131794 0.906611 0.750001 571 63.546 0.000393313 -3.53973 63.546000 Cu 0.126521 0.929766 2.86592e-17 573 63.546 0.00261158 -3.53931 63.546000 Cu 0.254108 0.918075 0.5 510 63.546 0.00411308 -3.53943 63.546000 Cu 0.254108 0.918075 3.47726e-16 520 63.546 0.00411119 -3.53943 63.546000 Cu 0.381795 0.906619 0.5 453 63.546 0.000385047 -3.53973 63.546000 Cu 0.381795 0.906619 1 457 63.546 0.000384812 -3.53973 63.546000 Cu 0.317961 0.912361 0.25 506 63.546 5.35309e-05 -3.5398 63.546000 Cu 0.376513 0.929766 0.25 515 63.546 0.00259114 -3.53931 63.546000 Cu 0.376513 0.929766 0.75 516 63.546 0.00259114 -3.53931 63.546000 Cu 0.317961 0.912361 0.75 519 63.546 5.35309e-05 -3.5398 63.546000 Cu 0.445584 0.900924 0.250002 451 63.546 0.00251691 -3.53989 63.546000 Cu 0.445584 0.900924 0.749998 452 63.546 0.00251691 -3.53989 63.546000 Cu 0.440225 0.924215 0.5 454 63.546 0.010953 -3.53943 63.546000 Cu 0.440226 0.924215 1.12551e-15 463 63.546 0.0109419 -3.53943 63.546000 Cu 0.567989 0.912353 0.5 394 63.546 6.3383e-05 -3.5398 63.546000 Cu 0.567989 0.912354 1 397 63.546 6.41064e-05 -3.5398 63.546000 Cu 0.504125 0.918066 0.250001 450 63.546 0.00423967 -3.53942 63.546000 Cu 0.504125 0.918066 0.749999 462 63.546 0.00423967 -3.53942 63.546000 Cu 0.695607 0.900903 0.5 635 63.546 0.00236461 -3.53989 63.546000 Cu 0.695607 0.900902 8.47905e-20 644 63.546 0.00235907 -3.53989 63.546000 Cu 0.690244 0.924201 0.249999 662 63.546 0.0107868 -3.53941 63.546000 Cu 0.631825 0.906602 0.249999 663 63.546 0.000422162 -3.53974 63.546000 Cu 0.631825 0.906602 0.750001 664 63.546 0.000422162 -3.53974 63.546000 Cu 0.626534 0.929753 0.5 665 63.546 0.00268735 -3.53932 63.546000 Cu 0.690244 0.924201 0.750001 671 63.546 0.0107868 -3.53941 63.546000 Cu 0.626534 0.929753 2.43518e-16 672 63.546 0.00268657 -3.53932 63.546000 Cu 0.754135 0.918055 0.5 641 63.546 0.00413779 -3.53945 63.546000 Cu 0.754134 0.918054 1 645 63.546 0.00414418 -3.53945 63.546000 Cu 0.881815 0.906595 0.5 604 63.546 0.00041067 -3.53974 63.546000 Cu 0.881815 0.906595 1 614 63.546 0.000409371 -3.53974 63.546000 Cu 0.876534 0.929749 0.250002 638 63.546 0.00262221 -3.53932 63.546000 Cu 0.817987 0.91234 0.250001 639 63.546 5.39111e-05 -3.53981 63.546000 Cu 0.817987 0.91234 0.749999 640 63.546 5.39111e-05 -3.53981 63.546000 Cu 0.876534 0.929749 0.749998 651 63.546 0.00262221 -3.53932 63.546000 Cu 0.945594 0.900901 0.249999 600 63.546 0.00243607 -3.53989 63.546000 Cu 0.940242 0.924199 0.5 611 63.546 0.0107463 -3.53941 63.546000 Cu 0.945594 0.900901 0.750001 613 63.546 0.00243607 -3.53989 63.546000 Cu 0.940241 0.924199 1 615 63.546 0.0107511 -3.53941 63.546000 Cu 0.0627442 0.935504 0.249999 608 63.546 0.000324543 -3.53972 63.546000 Cu 0.0576007 0.958643 0.5 619 63.546 0.00336213 -3.53948 63.546000 Cu 0.0627442 0.935504 0.750001 621 63.546 0.000324543 -3.53972 63.546000 Cu 0.0576008 0.958643 1 623 63.546 0.00337552 -3.53948 63.546000 Cu 0.184912 0.947626 0.5 570 63.546 0.04822 -3.53621 63.546000 Cu 0.184912 0.947626 7.85838e-16 580 63.546 0.0482095 -3.53621 63.546000 Cu 0.121464 0.952881 0.249999 617 63.546 0.016958 -3.53674 63.546000 Cu 0.121464 0.952881 0.750001 618 63.546 0.016958 -3.53674 63.546000 Cu 0.248867 0.941139 0.25 566 63.546 0.0164287 -3.53835 63.546000 Cu 0.243631 0.964085 0.5 577 63.546 0.077991 -3.53537 63.546000 Cu 0.248867 0.941139 0.75 579 63.546 0.0164287 -3.53835 63.546000 Cu 0.243631 0.964084 8.47905e-20 581 63.546 0.0780204 -3.53537 63.546000 Cu 0.312733 0.935505 0.5 517 63.546 0.000280644 -3.53972 63.546000 Cu 0.371458 0.952873 0.5 518 63.546 0.016981 -3.53673 63.546000 Cu 0.312733 0.935505 5.93618e-16 521 63.546 0.000279146 -3.53972 63.546000 Cu 0.371458 0.952873 5.87852e-16 528 63.546 0.0169789 -3.53673 63.546000 Cu 0.307596 0.958642 0.249999 575 63.546 0.00334802 -3.53948 63.546000 Cu 0.307596 0.958642 0.750001 576 63.546 0.00334802 -3.53948 63.546000 Cu 0.498869 0.941128 0.5 460 63.546 0.0165535 -3.53831 63.546000 Cu 0.498869 0.941128 2.11383e-16 464 63.546 0.0165655 -3.53831 63.546000 Cu 0.434906 0.947615 0.25 514 63.546 0.0479503 -3.53628 63.546000 Cu 0.493631 0.964068 0.249999 523 63.546 0.0781873 -3.53529 63.546000 Cu 0.493631 0.964068 0.750001 524 63.546 0.0781873 -3.53529 63.546000 Cu 0.434906 0.947615 0.75 527 63.546 0.0479503 -3.53628 63.546000 Cu 0.562744 0.935496 0.250001 458 63.546 0.000312983 -3.53972 63.546000 Cu 0.562744 0.935496 0.749999 459 63.546 0.000312983 -3.53972 63.546000 Cu 0.557596 0.958629 0.5 461 63.546 0.00335065 -3.53946 63.546000 Cu 0.557596 0.958629 3.47556e-16 465 63.546 0.00334166 -3.53946 63.546000 Cu 0.684915 0.947607 0.5 669 63.546 0.0479245 -3.53625 63.546000 Cu 0.684915 0.947607 5.21207e-16 673 63.546 0.0479476 -3.53625 63.546000 Cu 0.621463 0.952862 0.250001 684 63.546 0.0172054 -3.53672 63.546000 Cu 0.621463 0.952862 0.749999 690 63.546 0.0172054 -3.53672 63.546000 Cu 0.748877 0.941121 0.249998 667 63.546 0.0163973 -3.53835 63.546000 Cu 0.748877 0.941121 0.750002 668 63.546 0.0163973 -3.53835 63.546000 Cu 0.743636 0.964066 0.5 670 63.546 0.0779844 -3.53535 63.546000 Cu 0.743636 0.964066 1 680 63.546 0.077943 -3.53535 63.546000 Cu 0.81275 0.935488 0.5 642 63.546 0.000278057 -3.53973 63.546000 Cu 0.871471 0.952863 0.5 649 63.546 0.0170381 -3.53673 63.546000 Cu 0.81275 0.935488 3.47556e-16 652 63.546 0.000275997 -3.53973 63.546000 Cu 0.871471 0.952863 1.21759e-16 653 63.546 0.0170448 -3.53673 63.546000 Cu 0.807603 0.958626 0.249999 666 63.546 0.00326821 -3.53948 63.546000 Cu 0.807603 0.958626 0.750001 679 63.546 0.00326821 -3.53948 63.546000 Cu 0.998876 0.941127 0.5 612 63.546 0.0165806 -3.53839 63.546000 Cu 0.998877 0.941127 8.68763e-16 622 63.546 0.0165719 -3.53839 63.546000 Cu 0.993638 0.964077 0.250001 646 63.546 0.0779131 -3.53542 63.546000 Cu 0.934923 0.947608 0.25 647 63.546 0.0475664 -3.53624 63.546000 Cu 0.934923 0.947608 0.75 648 63.546 0.0475664 -3.53624 63.546000 Cu 0.993638 0.964077 0.749999 658 63.546 0.0779131 -3.53542 63.546000 Cu 0.0524133 0.981676 0.250003 655 63.546 3.83776 -3.475 63.546000 Cu 0.0524133 0.981676 0.749997 656 63.546 3.83776 -3.475 63.546000 Cu 0.173273 0.995662 6.94773e-16 827 63.546 4.73791 -3.47675 63.546000 Cu 0.173273 0.995662 0.5 829 63.546 4.7378 -3.47674 63.546000 Cu 0.180063 0.971376 0.249999 616 63.546 0.240625 -3.5234 63.546000 Cu 0.116577 0.975803 0.5 620 63.546 0.130324 -3.53006 63.546000 Cu 0.180063 0.971376 0.750001 627 63.546 0.240625 -3.5234 63.546000 Cu 0.116577 0.975803 2.08406e-15 628 63.546 0.130303 -3.53006 63.546000 Cu 0.108854 0.998371 0.249999 654 63.546 5.34249 -3.46833 63.546000 Cu 0.108854 0.998371 0.750001 661 63.546 5.34249 -3.46833 63.546000 Cu 0.239816 0.986925 0.249999 624 63.546 6.18239 -3.48297 63.546000 Cu 0.239816 0.986925 0.750001 625 63.546 6.18239 -3.48297 63.546000 Cu 0.302403 0.981673 0.5 578 63.546 3.83754 -3.47497 63.546000 Cu 0.302403 0.981673 1.69581e-19 586 63.546 3.83752 -3.47497 63.546000 Cu 0.366574 0.97579 0.25 574 63.546 0.130445 -3.53005 63.546000 Cu 0.358854 0.998356 0.5 584 63.546 5.34387 -3.46823 63.546000 Cu 0.366574 0.97579 0.75 585 63.546 0.130445 -3.53005 63.546000 Cu 0.358854 0.998356 3.47556e-16 587 63.546 5.34383 -3.46823 63.546000 Cu 0.423278 0.995636 0.75 696 63.546 4.73415 -3.4769 63.546000 Cu 0.423278 0.995636 0.25 697 63.546 4.73415 -3.4769 63.546000 Cu 0.430059 0.971357 0.5 525 63.546 0.239368 -3.52357 63.546000 Cu 0.489819 0.986902 0.5 526 63.546 6.18328 -3.48281 63.546000 Cu 0.430059 0.971357 1.69581e-19 529 63.546 0.239372 -3.52357 63.546000 Cu 0.489819 0.986902 4.41843e-16 531 63.546 6.18328 -3.48281 63.546000 Cu 0.552408 0.981656 0.249999 522 63.546 3.83761 -3.47496 63.546000 Cu 0.552408 0.981656 0.750001 530 63.546 3.83761 -3.47496 63.546000 Cu 0.673287 0.995633 1.50673e-16 713 63.546 4.73691 -3.47692 63.546000 Cu 0.673288 0.995633 0.5 717 63.546 4.73686 -3.47692 63.546000 Cu 0.680066 0.971353 0.25 686 63.546 0.239792 -3.52353 63.546000 Cu 0.680066 0.971353 0.75 687 63.546 0.239792 -3.52353 63.546000 Cu 0.616577 0.975777 0.5 688 63.546 0.130932 -3.52996 63.546000 Cu 0.616577 0.975777 1 691 63.546 0.130947 -3.52996 63.546000 Cu 0.608866 0.998339 0.25 694 63.546 5.34834 -3.46813 63.546000 Cu 0.608866 0.998339 0.75 695 63.546 5.34834 -3.46813 63.546000 Cu 0.739827 0.986904 0.250002 685 63.546 6.18249 -3.48287 63.546000 Cu 0.739827 0.986904 0.749998 692 63.546 6.18249 -3.48287 63.546000 Cu 0.802418 0.981659 0.5 677 63.546 3.83772 -3.475 63.546000 Cu 0.802418 0.981659 8.47905e-20 681 63.546 3.83765 -3.475 63.546000 Cu 0.866583 0.975783 0.249999 675 63.546 0.130639 -3.53003 63.546000 Cu 0.866583 0.975783 0.750001 676 63.546 0.130639 -3.53003 63.546000 Cu 0.858863 0.998351 0.5 678 63.546 5.34505 -3.46826 63.546000 Cu 0.858863 0.998351 4.26835e-16 683 63.546 5.34492 -3.46827 63.546000 Cu 0.923284 0.995644 0.75 770 63.546 4.7353 -3.47668 63.546000 Cu 0.923284 0.995644 0.25 779 63.546 4.7353 -3.47668 63.546000 Cu 0.930072 0.971358 0.5 650 63.546 0.238969 -3.52344 63.546000 Cu 0.989823 0.986919 0.5 657 63.546 6.18166 -3.483 63.546000 Cu 0.930072 0.971357 1 659 63.546 0.238935 -3.52344 63.546000 Cu 0.989823 0.986918 1 660 63.546 6.18183 -3.483