Number of particles = 1068 A = 1 Angstrom (basic length-scale) H0(1,1) = 29.6521 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 83.8163 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.11529 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 63.540000 Cu 0.0238701 0.00820423 0.5 745 63.54 0.244198 -3.5334 63.540000 Cu 0.0238701 0.00820423 0 746 63.54 0.244198 -3.5334 63.540000 Cu 0.0508971 0.0328514 0.75 747 63.54 0.0416954 -3.53417 63.540000 Cu 0.0977403 0.00818989 0.75 748 63.54 0.429885 -3.52937 63.540000 Cu 0.0508971 0.0328514 0.25 751 63.54 0.0416954 -3.53417 63.540000 Cu 0.0977403 0.00818989 0.25 752 63.54 0.429885 -3.52937 63.540000 Cu 0.173028 0.00590213 0.5 821 63.54 5.31199 -3.49264 63.540000 Cu 0.126899 0.0316778 0.5 822 63.54 0.0339393 -3.53198 63.540000 Cu 0.126899 0.0316778 1.76345e-17 823 63.54 0.0339393 -3.53198 63.540000 Cu 0.20197 0.029123 0.75 825 63.54 0.113212 -3.51224 63.540000 Cu 0.173028 0.00590213 1.76345e-17 830 63.54 5.31199 -3.49264 63.540000 Cu 0.20197 0.029123 0.25 831 63.54 0.113212 -3.51224 63.540000 Cu 0.315834 0.00245233 0.5 539 63.54 12.0382 -3.14786 63.540000 Cu 0.315834 0.00245233 1.76345e-17 540 63.54 12.0382 -3.14786 63.540000 Cu 0.244189 5.98846e-05 0.75 829 63.54 8.76396 -3.23728 63.540000 Cu 0.244189 5.98846e-05 0.25 832 63.54 8.76396 -3.23728 63.540000 Cu 0.272677 0.0263931 0.5 897 63.54 0.304619 -3.47573 63.540000 Cu 0.272677 0.0263931 1 905 63.54 0.304619 -3.47573 63.540000 Cu 0.350959 0.0241576 0.75 541 63.54 2.30514 -3.45103 63.540000 Cu 0.350959 0.0241576 0.25 542 63.54 2.30514 -3.45103 63.540000 Cu 0.422799 0.0196556 0.5 551 63.54 5.63932 -3.48108 63.540000 Cu 0.422799 0.0196556 1.76345e-17 552 63.54 5.63932 -3.48108 63.540000 Cu 0.499178 0.0205703 0.75 554 63.54 5.43819 -3.51537 63.540000 Cu 0.499178 0.0205703 0.25 558 63.54 5.43819 -3.51537 63.540000 Cu 0.573694 0.0205785 0.5 575 63.54 5.5373 -3.51393 63.540000 Cu 0.646153 0.0193665 0.75 583 63.54 5.83812 -3.38432 63.540000 Cu 0.573694 0.0205785 2.81389e-16 584 63.54 5.5373 -3.51393 63.540000 Cu 0.646153 0.0193665 0.25 586 63.54 5.83812 -3.38432 63.540000 Cu 0.736734 0.0169974 0.5 621 63.54 7.1148 -3.24112 63.540000 Cu 0.736734 0.0169974 1.69563e-19 622 63.54 7.1148 -3.24112 63.540000 Cu 0.801657 0.00694484 0.75 624 63.54 2.71436 -3.427 63.540000 Cu 0.801657 0.00694484 0.25 628 63.54 2.71436 -3.427 63.540000 Cu 0.875697 0.00811154 0.5 673 63.54 0.202816 -3.52343 63.540000 Cu 0.875697 0.00811154 0 682 63.54 0.202816 -3.52343 63.540000 Cu 0.826114 0.0346185 0.5 674 63.54 0.724275 -3.46651 63.540000 Cu 0.826114 0.0346185 0 675 63.54 0.724275 -3.46651 63.540000 Cu 0.901103 0.0336564 0.75 677 63.54 0.0756649 -3.53251 63.540000 Cu 0.949749 0.00817673 0.75 681 63.54 0.19832 -3.53314 63.540000 Cu 0.901103 0.0336564 0.25 683 63.54 0.0756649 -3.53251 63.540000 Cu 0.949749 0.00817673 0.25 684 63.54 0.19832 -3.53314 63.540000 Cu 0.975893 0.0332906 0.5 737 63.54 0.0414014 -3.53748 63.540000 Cu 0.975893 0.0332906 8.47813e-20 749 63.54 0.0414014 -3.53748 63.540000 Cu 0.00592498 0.0580293 0.75 741 63.54 0.00857408 -3.53671 63.540000 Cu 0.00592498 0.0580293 0.25 750 63.54 0.00857408 -3.53671 63.540000 Cu 0.0814057 0.0568397 0.5 813 63.54 0.00387267 -3.53656 63.540000 Cu 0.0814057 0.0568397 1 826 63.54 0.00387267 -3.53656 63.540000 Cu 0.157262 0.0552307 0.75 824 63.54 0.0105105 -3.53654 63.540000 Cu 0.157262 0.0552307 0.25 828 63.54 0.0105105 -3.53654 63.540000 Cu 0.231687 0.0532453 0.5 898 63.54 0.0398424 -3.53783 63.540000 Cu 0.231687 0.0532453 1 899 63.54 0.0398424 -3.53783 63.540000 Cu 0.305978 0.0501135 0.75 901 63.54 0.0448817 -3.53858 63.540000 Cu 0.305978 0.0501135 0.25 906 63.54 0.0448817 -3.53858 63.540000 Cu 0.380934 0.0480265 0.5 544 63.54 0.0526146 -3.5326 63.540000 Cu 0.410111 0.0724945 0.75 548 63.54 0.00386933 -3.53876 63.540000 Cu 0.380934 0.0480265 1 555 63.54 0.0526146 -3.5326 63.540000 Cu 0.410111 0.0724945 0.25 556 63.54 0.00386933 -3.53876 63.540000 Cu 0.453607 0.0456917 0.75 553 63.54 0.108932 -3.51815 63.540000 Cu 0.453607 0.0456917 0.25 557 63.54 0.108932 -3.51815 63.540000 Cu 0.483808 0.0707652 0.5 567 63.54 0.0219609 -3.53474 63.540000 Cu 0.528528 0.0454699 0.5 576 63.54 0.0132115 -3.53463 63.540000 Cu 0.528528 0.0454699 1 577 63.54 0.0132115 -3.53463 63.540000 Cu 0.483808 0.0707652 1 580 63.54 0.0219609 -3.53474 63.540000 Cu 0.558937 0.0697534 0.75 578 63.54 0.0187784 -3.5348 63.540000 Cu 0.603908 0.0447003 0.75 579 63.54 0.129932 -3.52285 63.540000 Cu 0.558937 0.0697534 0.25 582 63.54 0.0187784 -3.5348 63.540000 Cu 0.603908 0.0447003 0.25 585 63.54 0.129932 -3.52285 63.540000 Cu 0.635404 0.0678418 0.5 614 63.54 0.0362821 -3.53342 63.540000 Cu 0.635404 0.0678418 1 615 63.54 0.0362821 -3.53342 63.540000 Cu 0.681411 0.0412827 0.5 613 63.54 0.461679 -3.51705 63.540000 Cu 0.709687 0.0660164 0.75 617 63.54 0.0322228 -3.53531 63.540000 Cu 0.755321 0.0408966 0.75 623 63.54 1.33707 -3.5124 63.540000 Cu 0.681411 0.0412827 1 625 63.54 0.461679 -3.51705 63.540000 Cu 0.709687 0.0660164 0.25 626 63.54 0.0322228 -3.53531 63.540000 Cu 0.755321 0.0408966 0.25 627 63.54 1.33707 -3.5124 63.540000 Cu 0.786315 0.0638289 0.5 665 63.54 0.240038 -3.5191 63.540000 Cu 0.857545 0.0599786 0.75 676 63.54 0.145236 -3.51826 63.540000 Cu 0.786315 0.0638289 2.95039e-17 678 63.54 0.240038 -3.5191 63.540000 Cu 0.857545 0.0599786 0.25 680 63.54 0.145236 -3.51826 63.540000 Cu 0.931384 0.0589256 0.5 738 63.54 0.00710311 -3.5338 63.540000 Cu 0.931384 0.0589256 1.73208e-16 739 63.54 0.00710311 -3.5338 63.540000 Cu 0.0365629 0.0823287 0.5 814 63.54 0.00199972 -3.53883 63.540000 Cu 0.0365629 0.0823287 0 815 63.54 0.00199972 -3.53883 63.540000 Cu 0.0668932 0.106527 0.75 816 63.54 0.000651808 -3.5397 63.540000 Cu 0.0668932 0.106527 0.25 820 63.54 0.000651808 -3.5397 63.540000 Cu 0.111868 0.0807847 0.75 817 63.54 0.00121117 -3.53874 63.540000 Cu 0.111868 0.0807847 0.25 827 63.54 0.00121117 -3.53874 63.540000 Cu 0.187047 0.0791386 0.5 889 63.54 0.00495236 -3.53799 63.540000 Cu 0.141838 0.104851 0.5 890 63.54 0.000676063 -3.53929 63.540000 Cu 0.141838 0.104851 0 891 63.54 0.000676063 -3.53929 63.540000 Cu 0.216873 0.103012 0.75 893 63.54 0.0015972 -3.53894 63.540000 Cu 0.187047 0.0791386 1.76345e-17 902 63.54 0.00495236 -3.53799 63.540000 Cu 0.216873 0.103012 0.25 903 63.54 0.0015972 -3.53894 63.540000 Cu 0.261982 0.0769386 0.75 900 63.54 0.0106523 -3.53789 63.540000 Cu 0.261982 0.0769386 0.25 904 63.54 0.0106523 -3.53789 63.540000 Cu 0.291518 0.100959 0.5 959 63.54 0.00274738 -3.53922 63.540000 Cu 0.291518 0.100959 1.76345e-17 966 63.54 0.00274738 -3.53922 63.540000 Cu 0.33605 0.0743861 0.5 545 63.54 0.00720491 -3.53909 63.540000 Cu 0.33605 0.0743861 1 546 63.54 0.00720491 -3.53909 63.540000 Cu 0.365632 0.0987829 0.75 547 63.54 0.00211469 -3.53958 63.540000 Cu 0.365632 0.0987829 0.25 550 63.54 0.00211469 -3.53958 63.540000 Cu 0.439848 0.0969827 0.5 568 63.54 0.00085008 -3.53965 63.540000 Cu 0.439848 0.0969827 1 569 63.54 0.00085008 -3.53965 63.540000 Cu 0.514229 0.0952699 0.75 571 63.54 0.00524473 -3.53855 63.540000 Cu 0.514229 0.0952699 0.25 581 63.54 0.00524473 -3.53855 63.540000 Cu 0.58963 0.0936109 0.5 605 63.54 0.00392147 -3.5392 63.540000 Cu 0.664554 0.0919705 0.75 616 63.54 0.00414663 -3.53902 63.540000 Cu 0.58963 0.0936109 1 618 63.54 0.00392147 -3.5392 63.540000 Cu 0.664554 0.0919705 0.25 620 63.54 0.00414663 -3.53902 63.540000 Cu 0.739579 0.0898644 0.5 666 63.54 0.00445535 -3.5389 63.540000 Cu 0.739579 0.0898644 1 667 63.54 0.00445535 -3.5389 63.540000 Cu 0.814136 0.0879286 0.75 669 63.54 0.0437891 -3.53565 63.540000 Cu 0.814136 0.0879286 0.25 679 63.54 0.0437891 -3.53565 63.540000 Cu 0.887409 0.0851785 0.5 729 63.54 0.0323102 -3.53303 63.540000 Cu 0.887409 0.0851785 1.19965e-16 742 63.54 0.0323102 -3.53303 63.540000 Cu 0.917557 0.109883 0.75 733 63.54 0.00564125 -3.53845 63.540000 Cu 0.961699 0.083736 0.75 740 63.54 0.0037627 -3.53782 63.540000 Cu 0.917557 0.109883 0.25 743 63.54 0.00564125 -3.53845 63.540000 Cu 0.961699 0.083736 0.25 744 63.54 0.0037627 -3.53782 63.540000 Cu 0.992082 0.108189 0.5 805 63.54 0.000982849 -3.53951 63.540000 Cu 0.992082 0.108189 0 818 63.54 0.000982849 -3.53951 63.540000 Cu 0.0222219 0.132502 0.75 809 63.54 0.00022911 -3.53992 63.540000 Cu 0.0222219 0.132502 0.25 819 63.54 0.00022911 -3.53992 63.540000 Cu 0.0969231 0.130732 0.5 881 63.54 0.000244401 -3.53987 63.540000 Cu 0.0969231 0.130732 1.4328e-17 894 63.54 0.000244401 -3.53987 63.540000 Cu 0.171728 0.128928 0.75 892 63.54 0.000262636 -3.53973 63.540000 Cu 0.171728 0.128928 0.25 896 63.54 0.000262636 -3.53973 63.540000 Cu 0.321063 0.125119 0.75 543 63.54 0.000676209 -3.53981 63.540000 Cu 0.321063 0.125119 0.25 549 63.54 0.000676209 -3.53981 63.540000 Cu 0.246495 0.127062 0.5 960 63.54 0.000364907 -3.53965 63.540000 Cu 0.246495 0.127062 0 961 63.54 0.000364907 -3.53965 63.540000 Cu 0.395407 0.123143 0.5 560 63.54 0.000517502 -3.5399 63.540000 Cu 0.425308 0.14743 0.75 564 63.54 7.31119e-05 -3.53998 63.540000 Cu 0.395407 0.123143 1 572 63.54 0.000517502 -3.5399 63.540000 Cu 0.425308 0.14743 0.25 573 63.54 7.31119e-05 -3.53998 63.540000 Cu 0.46989 0.121324 0.75 570 63.54 0.000276384 -3.5399 63.540000 Cu 0.46989 0.121324 0.25 574 63.54 0.000276384 -3.5399 63.540000 Cu 0.499922 0.145571 0.5 597 63.54 5.04762e-05 -3.53999 63.540000 Cu 0.544575 0.11948 0.5 606 63.54 0.00117316 -3.53991 63.540000 Cu 0.544575 0.11948 1.76345e-17 607 63.54 0.00117316 -3.53991 63.540000 Cu 0.499922 0.145571 0 610 63.54 5.04762e-05 -3.53999 63.540000 Cu 0.574536 0.143743 0.75 608 63.54 0.000204635 -3.53994 63.540000 Cu 0.619402 0.117795 0.75 609 63.54 0.000581494 -3.5397 63.540000 Cu 0.574536 0.143743 0.25 612 63.54 0.000204635 -3.53994 63.540000 Cu 0.619402 0.117795 0.25 619 63.54 0.000581494 -3.5397 63.540000 Cu 0.649281 0.141936 0.5 658 63.54 0.000118356 -3.53988 63.540000 Cu 0.649281 0.141936 1 659 63.54 0.000118356 -3.53988 63.540000 Cu 0.694322 0.115954 0.5 657 63.54 0.000677807 -3.53947 63.540000 Cu 0.723998 0.140091 0.75 661 63.54 0.000115027 -3.53985 63.540000 Cu 0.769011 0.114022 0.75 668 63.54 0.000119823 -3.53982 63.540000 Cu 0.694322 0.115954 1 670 63.54 0.000677807 -3.53947 63.540000 Cu 0.723998 0.140091 0.25 671 63.54 0.000115027 -3.53985 63.540000 Cu 0.769011 0.114022 0.25 672 63.54 0.000119823 -3.53982 63.540000 Cu 0.798656 0.138188 0.5 721 63.54 6.21945e-05 -3.53991 63.540000 Cu 0.843601 0.112069 0.5 730 63.54 0.00692469 -3.53908 63.540000 Cu 0.843601 0.112069 1 731 63.54 0.00692469 -3.53908 63.540000 Cu 0.873241 0.13629 0.75 732 63.54 0.00112735 -3.53987 63.540000 Cu 0.798656 0.138188 1 734 63.54 6.21945e-05 -3.53991 63.540000 Cu 0.873241 0.13629 0.25 736 63.54 0.00112735 -3.53987 63.540000 Cu 0.947615 0.134301 0.5 806 63.54 0.000896048 -3.53978 63.540000 Cu 0.947615 0.134301 1 807 63.54 0.000896048 -3.53978 63.540000 Cu 0.00744931 0.182866 0.5 873 63.54 1.27784e-05 -3.54 63.540000 Cu 0.0521854 0.156765 0.5 882 63.54 5.10512e-05 -3.53998 63.540000 Cu 0.0521854 0.156765 1 883 63.54 5.10512e-05 -3.53998 63.540000 Cu 0.0820785 0.181007 0.75 884 63.54 8.5096e-06 -3.53999 63.540000 Cu 0.00744931 0.182866 1 886 63.54 1.27784e-05 -3.54 63.540000 Cu 0.0820785 0.181007 0.25 888 63.54 8.5096e-06 -3.53999 63.540000 Cu 0.126851 0.154928 0.75 885 63.54 7.18887e-05 -3.53996 63.540000 Cu 0.126851 0.154928 0.25 895 63.54 7.18887e-05 -3.53996 63.540000 Cu 0.201535 0.153081 0.5 951 63.54 8.18589e-05 -3.53992 63.540000 Cu 0.156716 0.179148 0.5 952 63.54 1.65736e-05 -3.53999 63.540000 Cu 0.156716 0.179148 1 953 63.54 1.65736e-05 -3.53999 63.540000 Cu 0.201535 0.153081 1.76345e-17 963 63.54 8.18589e-05 -3.53992 63.540000 Cu 0.231354 0.177289 0.75 955 63.54 1.96636e-05 -3.53998 63.540000 Cu 0.276191 0.151215 0.75 962 63.54 8.00067e-05 -3.53991 63.540000 Cu 0.231354 0.177289 0.25 964 63.54 1.96636e-05 -3.53998 63.540000 Cu 0.276191 0.151215 0.25 965 63.54 8.00067e-05 -3.53991 63.540000 Cu 0.305983 0.175425 0.5 1007 63.54 1.38614e-05 -3.53998 63.540000 Cu 0.305983 0.175425 1.76345e-17 1014 63.54 1.38614e-05 -3.53998 63.540000 Cu 0.350779 0.14933 0.5 561 63.54 0.000116623 -3.53996 63.540000 Cu 0.350779 0.14933 0 562 63.54 0.000116623 -3.53996 63.540000 Cu 0.3806 0.173557 0.75 563 63.54 1.27616e-05 -3.53999 63.540000 Cu 0.3806 0.173557 0.25 566 63.54 1.27616e-05 -3.53999 63.540000 Cu 0.455209 0.171679 0.5 598 63.54 1.23952e-05 -3.54 63.540000 Cu 0.455209 0.171679 1 599 63.54 1.23952e-05 -3.54 63.540000 Cu 0.529821 0.169824 0.75 601 63.54 8.65544e-06 -3.53999 63.540000 Cu 0.529821 0.169824 0.25 611 63.54 8.65544e-06 -3.53999 63.540000 Cu 0.604452 0.167969 0.5 649 63.54 4.14426e-05 -3.53998 63.540000 Cu 0.604452 0.167969 1.76345e-17 662 63.54 4.14426e-05 -3.53998 63.540000 Cu 0.679116 0.166127 0.75 660 63.54 3.32552e-05 -3.53996 63.540000 Cu 0.679116 0.166127 0.25 664 63.54 3.32552e-05 -3.53996 63.540000 Cu 0.753773 0.164267 0.5 722 63.54 3.38227e-05 -3.53994 63.540000 Cu 0.753773 0.164267 1.76345e-17 723 63.54 3.38227e-05 -3.53994 63.540000 Cu 0.828405 0.16239 0.75 725 63.54 1.54028e-05 -3.53997 63.540000 Cu 0.828405 0.16239 0.25 735 63.54 1.54028e-05 -3.53997 63.540000 Cu 0.903022 0.160513 0.5 797 63.54 0.000157068 -3.53997 63.540000 Cu 0.932849 0.184744 0.75 801 63.54 1.69457e-05 -3.53999 63.540000 Cu 0.977566 0.158603 0.75 808 63.54 0.000127493 -3.53998 63.540000 Cu 0.903022 0.160513 1 810 63.54 0.000157068 -3.53997 63.540000 Cu 0.932849 0.184744 0.25 811 63.54 1.69457e-05 -3.53999 63.540000 Cu 0.977566 0.158603 0.25 812 63.54 0.000127493 -3.53998 63.540000 Cu 0.0373111 0.207116 0.75 877 63.54 1.01218e-06 -3.54 63.540000 Cu 0.0373111 0.207116 0.25 887 63.54 1.01218e-06 -3.54 63.540000 Cu 0.111939 0.205252 0.5 943 63.54 1.18286e-06 -3.54 63.540000 Cu 0.186567 0.203388 0.75 954 63.54 2.3653e-06 -3.53999 63.540000 Cu 0.111939 0.205252 1 956 63.54 1.18286e-06 -3.54 63.540000 Cu 0.186567 0.203388 0.25 958 63.54 2.3653e-06 -3.53999 63.540000 Cu 0.261195 0.201525 0.5 1008 63.54 2.85298e-06 -3.53999 63.540000 Cu 0.261195 0.201525 1 1009 63.54 2.85298e-06 -3.53999 63.540000 Cu 0.335822 0.199661 0.75 559 63.54 2.04778e-06 -3.53999 63.540000 Cu 0.335822 0.199661 0.25 565 63.54 2.04778e-06 -3.53999 63.540000 Cu 0.41045 0.197794 0.5 589 63.54 1.95861e-06 -3.53999 63.540000 Cu 0.440298 0.222041 0.75 593 63.54 1.7763e-07 -3.53999 63.540000 Cu 0.41045 0.197794 1 602 63.54 1.95861e-06 -3.53999 63.540000 Cu 0.440298 0.222041 0.25 603 63.54 1.7763e-07 -3.53999 63.540000 Cu 0.485069 0.195928 0.75 600 63.54 1.18672e-06 -3.54 63.540000 Cu 0.485069 0.195928 0.25 604 63.54 1.18672e-06 -3.54 63.540000 Cu 0.514924 0.220176 0.5 641 63.54 2.87819e-07 -3.54 63.540000 Cu 0.514924 0.220176 1 654 63.54 2.87819e-07 -3.54 63.540000 Cu 0.559694 0.194066 0.5 650 63.54 2.1755e-06 -3.53999 63.540000 Cu 0.559694 0.194066 1.76345e-17 651 63.54 2.1755e-06 -3.53999 63.540000 Cu 0.589551 0.218311 0.75 652 63.54 5.50058e-07 -3.53999 63.540000 Cu 0.634322 0.192203 0.75 653 63.54 9.03318e-06 -3.53999 63.540000 Cu 0.589551 0.218311 0.25 656 63.54 5.50058e-07 -3.53999 63.540000 Cu 0.634322 0.192203 0.25 663 63.54 9.03318e-06 -3.53999 63.540000 Cu 0.664178 0.216446 0.5 714 63.54 1.52023e-06 -3.53999 63.540000 Cu 0.664178 0.216446 1 715 63.54 1.52023e-06 -3.53999 63.540000 Cu 0.708959 0.190344 0.5 713 63.54 1.14162e-05 -3.53998 63.540000 Cu 0.738807 0.214583 0.75 717 63.54 2.0556e-06 -3.53999 63.540000 Cu 0.708959 0.190344 1 726 63.54 1.14162e-05 -3.53998 63.540000 Cu 0.738807 0.214583 0.25 727 63.54 2.0556e-06 -3.53999 63.540000 Cu 0.783593 0.188481 0.75 724 63.54 9.60658e-06 -3.53998 63.540000 Cu 0.783593 0.188481 0.25 728 63.54 9.60658e-06 -3.53998 63.540000 Cu 0.813435 0.212718 0.5 789 63.54 1.95785e-06 -3.53999 63.540000 Cu 0.858222 0.186612 0.5 798 63.54 5.14647e-06 -3.53999 63.540000 Cu 0.858222 0.186612 1 799 63.54 5.14647e-06 -3.53999 63.540000 Cu 0.888063 0.210851 0.75 800 63.54 1.45304e-06 -3.53999 63.540000 Cu 0.813435 0.212718 1 802 63.54 1.95785e-06 -3.53999 63.540000 Cu 0.888063 0.210851 0.25 804 63.54 1.45304e-06 -3.53999 63.540000 Cu 0.96269 0.208986 0.5 874 63.54 1.52585e-06 -3.53999 63.540000 Cu 0.96269 0.208986 1.76345e-17 875 63.54 1.52585e-06 -3.53999 63.540000 Cu 0.0223886 0.257483 0.5 935 63.54 1.59788e-08 -3.54 63.540000 Cu 0.067164 0.231367 0.5 944 63.54 6.58304e-08 -3.54 63.540000 Cu 0.067164 0.231367 1.76345e-17 945 63.54 6.58304e-08 -3.54 63.540000 Cu 0.097015 0.255618 0.75 946 63.54 2.01468e-09 -3.54 63.540000 Cu 0.0223886 0.257483 1.76345e-17 948 63.54 1.59788e-08 -3.54 63.540000 Cu 0.097015 0.255618 0.25 950 63.54 2.01468e-09 -3.54 63.540000 Cu 0.141791 0.229502 0.75 947 63.54 9.51711e-08 -3.54 63.540000 Cu 0.141791 0.229502 0.25 957 63.54 9.51711e-08 -3.54 63.540000 Cu 0.216417 0.227637 0.5 999 63.54 2.1181e-07 -3.54 63.540000 Cu 0.171642 0.253753 0.5 1000 63.54 1.67753e-09 -3.54 63.540000 Cu 0.171642 0.253753 1.76345e-17 1001 63.54 1.67753e-09 -3.54 63.540000 Cu 0.216417 0.227637 1 1011 63.54 2.1181e-07 -3.54 63.540000 Cu 0.320896 0.250022 0.5 587 63.54 3.10029e-08 -3.54 63.540000 Cu 0.320896 0.250022 1 594 63.54 3.10029e-08 -3.54 63.540000 Cu 0.246269 0.251887 0.75 1003 63.54 1.31673e-08 -3.54 63.540000 Cu 0.291044 0.225772 0.75 1010 63.54 2.9692e-07 -3.53999 63.540000 Cu 0.246269 0.251887 0.25 1012 63.54 1.31673e-08 -3.54 63.540000 Cu 0.291044 0.225772 0.25 1013 63.54 2.9692e-07 -3.53999 63.540000 Cu 0.365672 0.223906 0.5 590 63.54 4.15872e-07 -3.53999 63.540000 Cu 0.365672 0.223906 1 591 63.54 4.15872e-07 -3.53999 63.540000 Cu 0.395522 0.248157 0.75 592 63.54 2.70374e-08 -3.54 63.540000 Cu 0.395522 0.248157 0.25 596 63.54 2.70374e-08 -3.54 63.540000 Cu 0.470149 0.246291 0.5 642 63.54 2.82733e-08 -3.54 63.540000 Cu 0.470149 0.246291 1 643 63.54 2.82733e-08 -3.54 63.540000 Cu 0.544776 0.244426 0.75 645 63.54 4.10062e-08 -3.54 63.540000 Cu 0.544776 0.244426 0.25 655 63.54 4.10062e-08 -3.54 63.540000 Cu 0.619403 0.24256 0.5 705 63.54 4.21741e-08 -3.54 63.540000 Cu 0.619403 0.24256 1 718 63.54 4.21741e-08 -3.54 63.540000 Cu 0.694029 0.240695 0.75 716 63.54 7.62389e-08 -3.54 63.540000 Cu 0.694029 0.240695 0.25 720 63.54 7.62389e-08 -3.54 63.540000 Cu 0.768657 0.23883 0.5 790 63.54 1.43319e-07 -3.53999 63.540000 Cu 0.768657 0.23883 1 791 63.54 1.43319e-07 -3.53999 63.540000 Cu 0.843284 0.236964 0.75 793 63.54 1.67491e-07 -3.53999 63.540000 Cu 0.843284 0.236964 0.25 803 63.54 1.67491e-07 -3.53999 63.540000 Cu 0.917911 0.235099 0.5 865 63.54 1.44072e-07 -3.53999 63.540000 Cu 0.992538 0.233233 0.75 876 63.54 1.46722e-07 -3.53999 63.540000 Cu 0.917911 0.235099 0 878 63.54 1.44072e-07 -3.53999 63.540000 Cu 0.992538 0.233233 0.25 880 63.54 1.46722e-07 -3.53999 63.540000 Cu 0.05224 0.281734 0.75 939 63.54 1.01075e-07 -3.54 63.540000 Cu 0.05224 0.281734 0.25 949 63.54 1.01075e-07 -3.54 63.540000 Cu 0.126866 0.279869 0.5 991 63.54 4.62653e-08 -3.54 63.540000 Cu 0.201494 0.278004 0.75 1002 63.54 2.0353e-08 -3.54 63.540000 Cu 0.126866 0.279869 1 1004 63.54 4.62653e-08 -3.54 63.540000 Cu 0.201494 0.278004 0.25 1006 63.54 2.0353e-08 -3.54 63.540000 Cu 0.27612 0.276139 0.5 1043 63.54 8.71808e-09 -3.54 63.540000 Cu 0.27612 0.276139 1.76345e-17 1044 63.54 8.71808e-09 -3.54 63.540000 Cu 0.350746 0.274273 0.75 588 63.54 3.54769e-09 -3.54 63.540000 Cu 0.350746 0.274273 0.25 595 63.54 3.54769e-09 -3.54 63.540000 Cu 0.425373 0.272408 0.5 633 63.54 1.97813e-09 -3.54 63.540000 Cu 0.425373 0.272408 1 646 63.54 1.97813e-09 -3.54 63.540000 Cu 0.5 0.270542 0.75 644 63.54 7.78145e-09 -3.54 63.540000 Cu 0.5 0.270542 0.25 648 63.54 7.78145e-09 -3.54 63.540000 Cu 0.529849 0.294793 0.5 697 63.54 1.76076e-07 -3.54 63.540000 Cu 0.529849 0.294793 1.76345e-17 710 63.54 1.76076e-07 -3.54 63.540000 Cu 0.574626 0.268676 0.5 706 63.54 8.30735e-08 -3.53999 63.540000 Cu 0.574626 0.268676 1.76345e-17 707 63.54 8.30735e-08 -3.53999 63.540000 Cu 0.604473 0.292924 0.75 708 63.54 1.14654e-06 -3.53999 63.540000 Cu 0.649252 0.26681 0.75 709 63.54 2.27702e-07 -3.53999 63.540000 Cu 0.604473 0.292924 0.25 712 63.54 1.14654e-06 -3.53999 63.540000 Cu 0.649252 0.26681 0.25 719 63.54 2.27702e-07 -3.53999 63.540000 Cu 0.72388 0.264945 0.5 781 63.54 2.19936e-07 -3.53999 63.540000 Cu 0.679099 0.291056 0.5 782 63.54 2.5321e-06 -3.53999 63.540000 Cu 0.679099 0.291056 1.76345e-17 783 63.54 2.5321e-06 -3.53999 63.540000 Cu 0.75373 0.289191 0.75 785 63.54 3.21096e-06 -3.53999 63.540000 Cu 0.72388 0.264945 1 794 63.54 2.19936e-07 -3.53999 63.540000 Cu 0.75373 0.289191 0.25 795 63.54 3.21096e-06 -3.53999 63.540000 Cu 0.798508 0.263079 0.75 792 63.54 1.06051e-07 -3.53999 63.540000 Cu 0.798508 0.263079 0.25 796 63.54 1.06051e-07 -3.53999 63.540000 Cu 0.828358 0.287327 0.5 857 63.54 2.0187e-06 -3.53999 63.540000 Cu 0.873135 0.261214 0.5 866 63.54 6.70601e-08 -3.54 63.540000 Cu 0.873135 0.261214 1 867 63.54 6.70601e-08 -3.54 63.540000 Cu 0.828358 0.287327 1 870 63.54 2.0187e-06 -3.53999 63.540000 Cu 0.902987 0.285463 0.75 868 63.54 1.05926e-06 -3.53999 63.540000 Cu 0.947762 0.259349 0.75 869 63.54 3.03967e-08 -3.54 63.540000 Cu 0.902987 0.285463 0.25 872 63.54 1.05926e-06 -3.53999 63.540000 Cu 0.947762 0.259349 0.25 879 63.54 3.03967e-08 -3.54 63.540000 Cu 0.977615 0.283599 0.5 936 63.54 4.87232e-07 -3.54 63.540000 Cu 0.977615 0.283599 1 937 63.54 4.87232e-07 -3.54 63.540000 Cu 0.0074736 0.307849 0.75 938 63.54 4.1985e-06 -3.54 63.540000 Cu 0.0074736 0.307849 0.25 942 63.54 4.1985e-06 -3.54 63.540000 Cu 0.0373581 0.332105 0.5 983 63.54 3.59461e-05 -3.53999 63.540000 Cu 0.082095 0.305984 0.5 992 63.54 1.7927e-06 -3.54 63.540000 Cu 0.082095 0.305984 1 993 63.54 1.7927e-06 -3.54 63.540000 Cu 0.0373581 0.332105 1 996 63.54 3.59461e-05 -3.53999 63.540000 Cu 0.111964 0.330238 0.75 994 63.54 2.44515e-05 -3.53999 63.540000 Cu 0.15672 0.304119 0.75 995 63.54 6.09213e-07 -3.54 63.540000 Cu 0.111964 0.330238 0.25 998 63.54 2.44515e-05 -3.53999 63.540000 Cu 0.15672 0.304119 0.25 1005 63.54 6.09213e-07 -3.54 63.540000 Cu 0.186568 0.328373 0.5 1036 63.54 8.71704e-06 -3.53999 63.540000 Cu 0.186568 0.328373 1 1037 63.54 8.71704e-06 -3.53999 63.540000 Cu 0.231343 0.302255 0.5 1035 63.54 2.19587e-07 -3.53999 63.540000 Cu 0.261185 0.326505 0.75 1039 63.54 3.76373e-06 -3.53999 63.540000 Cu 0.305969 0.30039 0.75 1045 63.54 2.35849e-07 -3.53999 63.540000 Cu 0.231343 0.302255 1 1046 63.54 2.19587e-07 -3.53999 63.540000 Cu 0.261185 0.326505 0.25 1047 63.54 3.76373e-06 -3.53999 63.540000 Cu 0.305969 0.30039 0.25 1048 63.54 2.35849e-07 -3.53999 63.540000 Cu 0.335814 0.324638 0.5 629 63.54 2.5993e-06 -3.53999 63.540000 Cu 0.380597 0.298524 0.5 634 63.54 1.36188e-07 -3.54 63.540000 Cu 0.380597 0.298524 1 635 63.54 1.36188e-07 -3.54 63.540000 Cu 0.410446 0.322774 0.75 636 63.54 1.40543e-06 -3.53999 63.540000 Cu 0.335814 0.324638 1.76345e-17 638 63.54 2.5993e-06 -3.53999 63.540000 Cu 0.410446 0.322774 0.25 640 63.54 1.40543e-06 -3.53999 63.540000 Cu 0.455223 0.296658 0.75 637 63.54 2.23899e-08 -3.54 63.540000 Cu 0.455223 0.296658 0.25 647 63.54 2.23899e-08 -3.54 63.540000 Cu 0.485072 0.320908 0.5 698 63.54 1.86933e-07 -3.54 63.540000 Cu 0.485072 0.320908 1.76345e-17 699 63.54 1.86933e-07 -3.54 63.540000 Cu 0.559699 0.319042 0.75 701 63.54 2.56199e-06 -3.54 63.540000 Cu 0.559699 0.319042 0.25 711 63.54 2.56199e-06 -3.54 63.540000 Cu 0.634314 0.317164 0.5 773 63.54 8.60271e-06 -3.53999 63.540000 Cu 0.634314 0.317164 1.76345e-17 786 63.54 8.60271e-06 -3.53999 63.540000 Cu 0.708936 0.31529 0.75 784 63.54 1.37217e-05 -3.53998 63.540000 Cu 0.708936 0.31529 0.25 788 63.54 1.37217e-05 -3.53998 63.540000 Cu 0.783575 0.313428 0.5 858 63.54 1.76441e-05 -3.53998 63.540000 Cu 0.783575 0.313428 1.76345e-17 859 63.54 1.76441e-05 -3.53998 63.540000 Cu 0.858211 0.311566 0.75 861 63.54 1.09002e-05 -3.53999 63.540000 Cu 0.858211 0.311566 0.25 871 63.54 1.09002e-05 -3.53999 63.540000 Cu 0.932845 0.309707 0.5 927 63.54 5.1175e-06 -3.53999 63.540000 Cu 0.932845 0.309707 1 940 63.54 5.1175e-06 -3.53999 63.540000 Cu 0.067316 0.356388 0.75 987 63.54 0.000247627 -3.5399 63.540000 Cu 0.067316 0.356388 0.25 997 63.54 0.000247627 -3.5399 63.540000 Cu 0.141841 0.354516 0.5 1027 63.54 0.000172114 -3.53996 63.540000 Cu 0.216388 0.352631 0.75 1038 63.54 7.47773e-05 -3.53998 63.540000 Cu 0.141841 0.354516 1 1040 63.54 0.000172114 -3.53996 63.540000 Cu 0.216388 0.352631 0.25 1042 63.54 7.47773e-05 -3.53998 63.540000 Cu 0.290996 0.350747 0.5 1065 63.54 3.23658e-05 -3.53998 63.540000 Cu 0.290996 0.350747 1 1066 63.54 3.23658e-05 -3.53998 63.540000 Cu 0.365642 0.348879 0.75 631 63.54 1.60617e-05 -3.53999 63.540000 Cu 0.365642 0.348879 0.25 639 63.54 1.60617e-05 -3.53999 63.540000 Cu 0.440291 0.347022 0.5 689 63.54 1.27785e-05 -3.53999 63.540000 Cu 0.440291 0.347022 1 702 63.54 1.27785e-05 -3.53999 63.540000 Cu 0.51493 0.345158 0.75 700 63.54 5.71218e-06 -3.54 63.540000 Cu 0.51493 0.345158 0.25 704 63.54 5.71218e-06 -3.54 63.540000 Cu 0.544841 0.369413 0.5 765 63.54 5.49066e-05 -3.53998 63.540000 Cu 0.544841 0.369413 1 778 63.54 5.49066e-05 -3.53998 63.540000 Cu 0.58956 0.343291 0.5 774 63.54 2.90923e-05 -3.53999 63.540000 Cu 0.58956 0.343291 1 775 63.54 2.90923e-05 -3.53999 63.540000 Cu 0.619438 0.367551 0.75 776 63.54 0.000263312 -3.53996 63.540000 Cu 0.664133 0.341387 0.75 777 63.54 6.68143e-05 -3.53996 63.540000 Cu 0.619438 0.367551 0.25 780 63.54 0.000263312 -3.53996 63.540000 Cu 0.664133 0.341387 0.25 787 63.54 6.68143e-05 -3.53996 63.540000 Cu 0.738742 0.339498 0.5 849 63.54 5.15031e-05 -3.53993 63.540000 Cu 0.693876 0.365583 0.5 850 63.54 0.000487993 -3.53983 63.540000 Cu 0.693876 0.365583 1 851 63.54 0.000487993 -3.53983 63.540000 Cu 0.76849 0.363664 0.75 853 63.54 0.00016836 -3.5398 63.540000 Cu 0.738742 0.339498 0 862 63.54 5.15031e-05 -3.53993 63.540000 Cu 0.76849 0.363664 0.25 863 63.54 0.00016836 -3.5398 63.540000 Cu 0.813409 0.337639 0.75 860 63.54 4.60881e-05 -3.53994 63.540000 Cu 0.813409 0.337639 0.25 864 63.54 4.60881e-05 -3.53994 63.540000 Cu 0.843226 0.361816 0.5 919 63.54 0.000103731 -3.53986 63.540000 Cu 0.888073 0.33579 0.5 928 63.54 3.26738e-05 -3.53997 63.540000 Cu 0.888073 0.33579 1 929 63.54 3.26738e-05 -3.53997 63.540000 Cu 0.843226 0.361816 1.76345e-17 932 63.54 0.000103731 -3.53986 63.540000 Cu 0.91796 0.360001 0.75 930 63.54 0.00010118 -3.53994 63.540000 Cu 0.962721 0.333948 0.75 931 63.54 2.41921e-05 -3.53999 63.540000 Cu 0.91796 0.360001 0.25 934 63.54 0.00010118 -3.53994 63.540000 Cu 0.962721 0.333948 0.25 941 63.54 2.41921e-05 -3.53999 63.540000 Cu 0.992664 0.358198 0.5 984 63.54 0.000121495 -3.53996 63.540000 Cu 0.992664 0.358198 1.76345e-17 985 63.54 0.000121495 -3.53996 63.540000 Cu 0.0227807 0.38248 0.75 986 63.54 0.000623571 -3.53968 63.540000 Cu 0.0227807 0.38248 0.25 990 63.54 0.000623571 -3.53968 63.540000 Cu 0.0531081 0.406889 0.5 1019 63.54 0.00201119 -3.53871 63.540000 Cu 0.0973801 0.38076 0.5 1028 63.54 0.00136098 -3.53936 63.540000 Cu 0.0973801 0.38076 1 1029 63.54 0.00136098 -3.53936 63.540000 Cu 0.0531081 0.406889 1.76345e-17 1032 63.54 0.00201119 -3.53871 63.540000 Cu 0.127489 0.405324 0.75 1030 63.54 0.0062266 -3.5375 63.540000 Cu 0.171681 0.378841 0.75 1031 63.54 0.000879208 -3.53975 63.540000 Cu 0.127489 0.405324 0.25 1034 63.54 0.0062266 -3.5375 63.540000 Cu 0.171681 0.378841 0.25 1041 63.54 0.000879208 -3.53975 63.540000 Cu 0.201356 0.40321 0.5 1058 63.54 0.00416458 -3.53881 63.540000 Cu 0.201356 0.40321 1.76345e-17 1059 63.54 0.00416458 -3.53881 63.540000 Cu 0.320733 0.374974 0.75 630 63.54 0.000147016 -3.53993 63.540000 Cu 0.320733 0.374974 0.25 632 63.54 0.000147016 -3.53993 63.540000 Cu 0.246123 0.376894 0.5 1057 63.54 0.000331892 -3.53989 63.540000 Cu 0.275681 0.401135 0.75 1061 63.54 0.000945012 -3.53965 63.540000 Cu 0.246123 0.376894 1 1067 63.54 0.000331892 -3.53989 63.540000 Cu 0.275681 0.401135 0.25 1068 63.54 0.000945012 -3.53965 63.540000 Cu 0.350339 0.399177 0.5 685 63.54 0.000452129 -3.53975 63.540000 Cu 0.395431 0.373111 0.5 690 63.54 6.99085e-05 -3.53996 63.540000 Cu 0.395431 0.373111 1 691 63.54 6.99085e-05 -3.53996 63.540000 Cu 0.425245 0.39732 0.75 692 63.54 0.000501325 -3.53984 63.540000 Cu 0.350339 0.399177 1 694 63.54 0.000452129 -3.53975 63.540000 Cu 0.425245 0.39732 0.25 696 63.54 0.000501325 -3.53984 63.540000 Cu 0.470168 0.371271 0.75 693 63.54 0.000108217 -3.53998 63.540000 Cu 0.470168 0.371271 0.25 703 63.54 0.000108217 -3.53998 63.540000 Cu 0.500203 0.395526 0.5 766 63.54 0.000698571 -3.53983 63.540000 Cu 0.500203 0.395526 1 767 63.54 0.000698571 -3.53983 63.540000 Cu 0.574871 0.3937 0.75 769 63.54 0.000559651 -3.5398 63.540000 Cu 0.574871 0.3937 0.25 779 63.54 0.000559651 -3.5398 63.540000 Cu 0.649264 0.391866 0.5 841 63.54 0.00146047 -3.53976 63.540000 Cu 0.649264 0.391866 1 854 63.54 0.00146047 -3.53976 63.540000 Cu 0.723477 0.389729 0.75 852 63.54 0.00271817 -3.53933 63.540000 Cu 0.723477 0.389729 0.25 856 63.54 0.00271817 -3.53933 63.540000 Cu 0.798161 0.387776 0.5 920 63.54 0.000473647 -3.53951 63.540000 Cu 0.798161 0.387776 1 921 63.54 0.000473647 -3.53951 63.540000 Cu 0.873049 0.38596 0.75 923 63.54 0.000285822 -3.5397 63.540000 Cu 0.873049 0.38596 0.25 933 63.54 0.000285822 -3.5397 63.540000 Cu 0.947944 0.384209 0.5 975 63.54 0.00042767 -3.53984 63.540000 Cu 0.947944 0.384209 1.76345e-17 988 63.54 0.00042767 -3.53984 63.540000 Cu 0.00881399 0.432754 0.5 1020 63.54 0.00458797 -3.53814 63.540000 Cu 0.00881399 0.432754 1 1021 63.54 0.00458797 -3.53814 63.540000 Cu 0.0833805 0.431578 0.75 1023 63.54 0.00541617 -3.53684 63.540000 Cu 0.0833805 0.431578 0.25 1033 63.54 0.00541617 -3.53684 63.540000 Cu 0.157412 0.430168 0.5 1050 63.54 0.0269037 -3.53305 63.540000 Cu 0.157412 0.430168 1 1062 63.54 0.0269037 -3.53305 63.540000 Cu 0.304946 0.425312 1 286 63.54 0.00288747 -3.53873 63.540000 Cu 0.304946 0.425312 0.5 287 63.54 0.00288747 -3.53873 63.540000 Cu 0.230667 0.427519 0.75 1060 63.54 0.022161 -3.53568 63.540000 Cu 0.230667 0.427519 0.25 1064 63.54 0.022161 -3.53568 63.540000 Cu 0.379951 0.423301 0.75 687 63.54 0.00289754 -3.53896 63.540000 Cu 0.379951 0.423301 0.25 695 63.54 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0.25 981 63.54 0.0396587 -3.53126 63.540000 Cu 0.963954 0.458233 0.5 1015 63.54 0.0128381 -3.53776 63.540000 Cu 0.963954 0.458233 0 1024 63.54 0.0128381 -3.53776 63.540000 Cu 0.0672828 0.482643 0.5 1049 63.54 6.05458 -3.52127 63.540000 Cu 0.0672828 0.482643 1.62102e-16 1055 63.54 6.05458 -3.52127 63.540000 Cu 0.0498551 0.5081 0.75 86 63.54 0.185228 -3.53323 63.540000 Cu 0.0498551 0.5081 0.25 93 63.54 0.185228 -3.53323 63.540000 Cu 0.141127 0.482071 0.75 1053 63.54 5.9838 -3.51793 63.540000 Cu 0.141127 0.482071 0.25 1056 63.54 5.9838 -3.51793 63.540000 Cu 0.19831 0.506928 0.75 48 63.54 2.68305 -3.42932 63.540000 Cu 0.19831 0.506928 0.25 50 63.54 2.68305 -3.42932 63.540000 Cu 0.124107 0.508115 0.5 85 63.54 0.195351 -3.52385 63.540000 Cu 0.124107 0.508115 1.70919e-16 92 63.54 0.195351 -3.52385 63.540000 Cu 0.263516 0.516895 0.5 46 63.54 6.93066 -3.23814 63.540000 Cu 0.263516 0.516895 2.91393e-16 47 63.54 6.93066 -3.23814 63.540000 Cu 0.320162 0.497612 0.5 754 63.54 8.56291 -3.40814 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0.841083 0.483811 0.75 971 63.54 6.2325 -3.49063 63.540000 Cu 0.841083 0.483811 0.25 974 63.54 6.2325 -3.49063 63.540000 Cu 0.975546 0.50801 0.5 140 63.54 0.234595 -3.53303 63.540000 Cu 0.975546 0.50801 2.42644e-16 141 63.54 0.234595 -3.53303 63.540000 Cu 0.901367 0.508069 0.75 142 63.54 0.353985 -3.52447 63.540000 Cu 0.901367 0.508069 0.25 144 63.54 0.353985 -3.52447 63.540000 Cu 0.917519 0.483296 0.5 1016 63.54 5.98297 -3.51564 63.540000 Cu 0.917519 0.483296 1.69563e-19 1017 63.54 5.98297 -3.51564 63.540000 Cu 0.992797 0.482921 0.75 1018 63.54 6.07678 -3.52232 63.540000 Cu 0.992797 0.482921 0.25 1025 63.54 6.07678 -3.52232 63.540000 Cu 0.0988201 0.53362 0.75 90 63.54 0.0751972 -3.533 63.540000 Cu 0.0988201 0.53362 0.25 94 63.54 0.0751972 -3.533 63.540000 Cu 0.0240092 0.533167 0.5 139 63.54 0.0419755 -3.53797 63.540000 Cu 0.0240092 0.533167 2.99193e-16 150 63.54 0.0419755 -3.53797 63.540000 Cu 0.173866 0.534581 0.5 88 63.54 0.719362 -3.46738 63.540000 Cu 0.173866 0.534581 2.83509e-16 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3.41245e-16 21 63.54 0.00980815 -3.536 63.540000 Cu 0.652787 0.519741 0.75 1 63.54 5.61894 -3.47882 63.540000 Cu 0.652787 0.519741 0.25 2 63.54 5.61894 -3.47882 63.540000 Cu 0.621567 0.546195 0.5 3 63.54 0.0832823 -3.51041 63.540000 Cu 0.5759 0.520692 0.5 4 63.54 5.56063 -3.51551 63.540000 Cu 0.5759 0.520692 3.03517e-16 5 63.54 5.56063 -3.51551 63.540000 Cu 0.621567 0.546195 4.82745e-16 13 63.54 0.0832823 -3.51041 63.540000 Cu 0.726447 0.523946 0.5 285 63.54 5.86776 -3.22718 63.540000 Cu 0.766626 0.553379 0.5 289 63.54 0.292909 -3.51467 63.540000 Cu 0.766626 0.553379 3.52775e-16 290 63.54 0.292909 -3.51467 63.540000 Cu 0.695071 0.548166 0.75 291 63.54 0.167588 -3.52103 63.540000 Cu 0.726447 0.523946 6.82489e-17 293 63.54 5.86776 -3.22718 63.540000 Cu 0.695071 0.548166 0.25 294 63.54 0.167588 -3.52103 63.540000 Cu 0.874395 0.532496 0.5 210 63.54 0.17224 -3.50676 63.540000 Cu 0.874395 0.532496 6.51883e-16 211 63.54 0.17224 -3.50676 63.540000 Cu 0.795907 0.530108 0.75 212 63.54 5.08809 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0.573278 4.63414e-16 10 63.54 0.0551987 -3.5273 63.540000 Cu 0.590974 0.571656 0.75 11 63.54 0.0194983 -3.53056 63.540000 Cu 0.590974 0.571656 0.25 15 63.54 0.0194983 -3.53056 63.540000 Cu 0.737172 0.576796 0.75 292 63.54 0.0920109 -3.52918 63.540000 Cu 0.737172 0.576796 0.25 301 63.54 0.0920109 -3.52918 63.540000 Cu 0.888046 0.580835 0.75 220 63.54 0.00515391 -3.53757 63.540000 Cu 0.888046 0.580835 0.25 224 63.54 0.00515391 -3.53757 63.540000 Cu 0.812447 0.579144 0.5 288 63.54 0.006621 -3.53657 63.540000 Cu 0.812447 0.579144 3.32258e-16 300 63.54 0.006621 -3.53657 63.540000 Cu 0.994296 0.557963 0.75 148 63.54 0.00601467 -3.53697 63.540000 Cu 0.994296 0.557963 0.25 152 63.54 0.00601467 -3.53697 63.540000 Cu 0.919394 0.55714 0.5 209 63.54 0.0346598 -3.53057 63.540000 Cu 0.963726 0.582452 0.5 218 63.54 0.0075515 -3.53707 63.540000 Cu 0.963726 0.582452 5.04703e-16 219 63.54 0.0075515 -3.53707 63.540000 Cu 0.919394 0.55714 5.27255e-16 222 63.54 0.0346598 -3.53057 63.540000 Cu 0.082477 0.609842 0.75 156 63.54 0.00641116 -3.53834 63.540000 Cu 0.082477 0.609842 0.25 160 63.54 0.00641116 -3.53834 63.540000 Cu 0.00801696 0.608215 0.5 217 63.54 0.00210993 -3.53912 63.540000 Cu 0.00801696 0.608215 4.11613e-16 230 63.54 0.00210993 -3.53912 63.540000 Cu 0.156412 0.612027 0.5 154 63.54 0.00696132 -3.53907 63.540000 Cu 0.156412 0.612027 3.81855e-16 155 63.54 0.00696132 -3.53907 63.540000 Cu 0.30568 0.615915 0.5 95 63.54 0.000614311 -3.53949 63.540000 Cu 0.230988 0.613987 0.75 99 63.54 0.000136172 -3.5398 63.540000 Cu 0.30568 0.615915 4.16615e-16 108 63.54 0.000614311 -3.53949 63.540000 Cu 0.230988 0.613987 0.25 109 63.54 0.000136172 -3.5398 63.540000 Cu 0.410399 0.593589 0.5 51 63.54 0.00401238 -3.53914 63.540000 Cu 0.3806 0.617765 0.75 62 63.54 0.000542501 -3.53969 63.540000 Cu 0.410399 0.593589 4.08137e-16 64 63.54 0.00401238 -3.53914 63.540000 Cu 0.3806 0.617765 0.25 66 63.54 0.000542501 -3.53969 63.540000 Cu 0.48585 0.595265 0.75 30 63.54 0.00429815 -3.53855 63.540000 Cu 0.530332 0.621146 0.75 31 63.54 0.00157918 -3.5393 63.540000 Cu 0.48585 0.595265 0.25 34 63.54 0.00429815 -3.53855 63.540000 Cu 0.530332 0.621146 0.25 40 63.54 0.00157918 -3.5393 63.540000 Cu 0.455452 0.619458 0.5 60 63.54 0.000622372 -3.53986 63.540000 Cu 0.455452 0.619458 4.2823e-16 61 63.54 0.000622372 -3.53986 63.540000 Cu 0.634721 0.598236 0.75 12 63.54 0.0138467 -3.53537 63.540000 Cu 0.634721 0.598236 0.25 16 63.54 0.0138467 -3.53537 63.540000 Cu 0.604783 0.622887 0.5 27 63.54 0.00276994 -3.53891 63.540000 Cu 0.560643 0.596602 0.5 28 63.54 0.00614465 -3.53694 63.540000 Cu 0.560643 0.596602 4.45695e-16 29 63.54 0.00614465 -3.53694 63.540000 Cu 0.604783 0.622887 3.94572e-16 39 63.54 0.00276994 -3.53891 63.540000 Cu 0.708217 0.600779 0.5 361 63.54 0.0189924 -3.53679 63.540000 Cu 0.753364 0.626985 0.5 363 63.54 0.000816896 -3.53952 63.540000 Cu 0.753364 0.626985 4.18565e-16 364 63.54 0.000816896 -3.53952 63.540000 Cu 0.678875 0.624973 0.75 365 63.54 0.00332199 -3.53936 63.540000 Cu 0.708217 0.600779 4.27637e-16 367 63.54 0.0189924 -3.53679 63.540000 Cu 0.678875 0.624973 0.25 368 63.54 0.00332199 -3.53936 63.540000 Cu 0.857948 0.604826 0.5 296 63.54 0.00106109 -3.53907 63.540000 Cu 0.857948 0.604826 3.95335e-16 297 63.54 0.00106109 -3.53907 63.540000 Cu 0.782784 0.602945 0.75 298 63.54 0.00305366 -3.53841 63.540000 Cu 0.828153 0.628876 0.75 299 63.54 0.000394167 -3.53967 63.540000 Cu 0.782784 0.602945 0.25 302 63.54 0.00305366 -3.53841 63.540000 Cu 0.828153 0.628876 0.25 309 63.54 0.000394167 -3.53967 63.540000 Cu 0.933048 0.606538 0.75 221 63.54 0.00130962 -3.5395 63.540000 Cu 0.933048 0.606538 0.25 231 63.54 0.00130962 -3.5395 63.540000 Cu 0.0969873 0.660477 0.5 225 63.54 0.000149319 -3.53998 63.540000 Cu 0.0524197 0.634282 0.5 226 63.54 0.0010435 -3.53974 63.540000 Cu 0.0524197 0.634282 4.35437e-16 227 63.54 0.0010435 -3.53974 63.540000 Cu 0.0224305 0.658567 0.75 229 63.54 0.000129145 -3.53998 63.540000 Cu 0.0969873 0.660477 4.68586e-16 238 63.54 0.000149319 -3.53998 63.540000 Cu 0.0224305 0.658567 0.25 239 63.54 0.000129145 -3.53998 63.540000 Cu 0.201346 0.638148 0.5 153 63.54 6.80009e-05 -3.5399 63.540000 Cu 0.126768 0.636249 0.75 157 63.54 0.00110878 -3.53987 63.540000 Cu 0.171596 0.662348 0.75 164 63.54 1.73836e-05 -3.53997 63.540000 Cu 0.201346 0.638148 4.61041e-16 166 63.54 6.80009e-05 -3.5399 63.540000 Cu 0.126768 0.636249 0.25 167 63.54 0.00110878 -3.53987 63.540000 Cu 0.171596 0.662348 0.25 168 63.54 1.73836e-05 -3.53997 63.540000 Cu 0.276001 0.640051 0.75 106 63.54 0.000104187 -3.53985 63.540000 Cu 0.320882 0.666087 0.75 107 63.54 3.30806e-05 -3.53995 63.540000 Cu 0.276001 0.640051 0.25 110 63.54 0.000104187 -3.53985 63.540000 Cu 0.320882 0.666087 0.25 117 63.54 3.30806e-05 -3.53995 63.540000 Cu 0.246226 0.664225 0.5 162 63.54 3.34122e-05 -3.53994 63.540000 Cu 0.246226 0.664225 4.24076e-16 163 63.54 3.34122e-05 -3.53994 63.540000 Cu 0.425468 0.643712 0.75 63 63.54 0.000151797 -3.53994 63.540000 Cu 0.425468 0.643712 0.25 73 63.54 0.000151797 -3.53994 63.540000 Cu 0.350715 0.6419 0.5 104 63.54 0.000117284 -3.53988 63.540000 Cu 0.350715 0.6419 4.66806e-16 105 63.54 0.000117284 -3.53988 63.540000 Cu 0.500162 0.645478 0.5 59 63.54 0.000261427 -3.53991 63.540000 Cu 0.500162 0.645478 3.50994e-16 72 63.54 0.000261427 -3.53991 63.540000 Cu 0.64922 0.649234 0.5 35 63.54 0.000498261 -3.53992 63.540000 Cu 0.64922 0.649234 4.01185e-16 36 63.54 0.000498261 -3.53992 63.540000 Cu 0.574776 0.647307 0.75 37 63.54 0.000421596 -3.53982 63.540000 Cu 0.574776 0.647307 0.25 41 63.54 0.000421596 -3.53982 63.540000 Cu 0.723769 0.651144 0.75 366 63.54 0.000183991 -3.53989 63.540000 Cu 0.723769 0.651144 0.25 375 63.54 0.000183991 -3.53989 63.540000 Cu 0.873114 0.654881 0.75 306 63.54 9.2452e-05 -3.53995 63.540000 Cu 0.873114 0.654881 0.25 310 63.54 9.2452e-05 -3.53995 63.540000 Cu 0.798426 0.653024 0.5 362 63.54 0.000121955 -3.53991 63.540000 Cu 0.798426 0.653024 4.27382e-16 374 63.54 0.000121955 -3.53991 63.540000 Cu 0.977761 0.632481 0.75 228 63.54 0.000319674 -3.53991 63.540000 Cu 0.977761 0.632481 0.25 232 63.54 0.000319674 -3.53991 63.540000 Cu 0.903001 0.630701 0.5 295 63.54 0.000309394 -3.53984 63.540000 Cu 0.947792 0.656725 0.5 304 63.54 5.63433e-05 -3.53998 63.540000 Cu 0.947792 0.656725 2.96819e-16 305 63.54 5.63433e-05 -3.53998 63.540000 Cu 0.903001 0.630701 3.52436e-16 308 63.54 0.000309394 -3.53984 63.540000 Cu 0.0671497 0.684703 0.75 236 63.54 1.61999e-05 -3.53999 63.540000 Cu 0.0671497 0.684703 0.25 240 63.54 1.61999e-05 -3.53999 63.540000 Cu 0.216407 0.688439 0.75 165 63.54 9.91035e-06 -3.53998 63.540000 Cu 0.216407 0.688439 0.25 175 63.54 9.91035e-06 -3.53998 63.540000 Cu 0.14178 0.686571 0.5 234 63.54 4.91082e-06 -3.53999 63.540000 Cu 0.14178 0.686571 4.67314e-16 235 63.54 4.91082e-06 -3.53999 63.540000 Cu 0.29104 0.690302 0.5 161 63.54 1.20421e-05 -3.53998 63.540000 Cu 0.29104 0.690302 3.47858e-16 174 63.54 1.20421e-05 -3.53998 63.540000 Cu 0.395546 0.667932 0.5 103 63.54 3.24398e-05 -3.53998 63.540000 Cu 0.440314 0.694018 0.5 112 63.54 7.44678e-06 -3.54 63.540000 Cu 0.440314 0.694018 4.03389e-16 113 63.54 7.44678e-06 -3.54 63.540000 Cu 0.365677 0.692163 0.75 114 63.54 8.46395e-06 -3.53999 63.540000 Cu 0.395546 0.667932 4.02796e-16 116 63.54 3.24398e-05 -3.53998 63.540000 Cu 0.365677 0.692163 0.25 118 63.54 8.46395e-06 -3.53999 63.540000 Cu 0.544821 0.671609 0.5 68 63.54 5.52424e-05 -3.53998 63.540000 Cu 0.544821 0.671609 4.51545e-16 69 63.54 5.52424e-05 -3.53998 63.540000 Cu 0.470207 0.669765 0.75 70 63.54 5.28599e-05 -3.53998 63.540000 Cu 0.51494 0.695877 0.75 71 63.54 6.14636e-06 -3.54 63.540000 Cu 0.470207 0.669765 0.25 74 63.54 5.28599e-05 -3.53998 63.540000 Cu 0.51494 0.695877 0.25 80 63.54 6.14636e-06 -3.54 63.540000 Cu 0.619406 0.673493 0.75 38 63.54 5.63424e-05 -3.53999 63.540000 Cu 0.664178 0.699612 0.75 42 63.54 1.04775e-06 -3.53999 63.540000 Cu 0.619406 0.673493 0.25 43 63.54 5.63424e-05 -3.53999 63.540000 Cu 0.664178 0.699612 0.25 44 63.54 1.04775e-06 -3.53999 63.540000 Cu 0.589553 0.697745 0.5 67 63.54 4.49732e-06 -3.53999 63.540000 Cu 0.589553 0.697745 4.42813e-16 79 63.54 4.49732e-06 -3.53999 63.540000 Cu 0.768637 0.677235 0.75 372 63.54 2.33213e-05 -3.53998 63.540000 Cu 0.768637 0.677235 0.25 376 63.54 2.33213e-05 -3.53998 63.540000 Cu 0.694009 0.675367 0.5 423 63.54 2.10562e-05 -3.53998 63.540000 Cu 0.738804 0.701477 0.5 425 63.54 1.77459e-06 -3.53999 63.540000 Cu 0.738804 0.701477 4.60447e-16 426 63.54 1.77459e-06 -3.53999 63.540000 Cu 0.694009 0.675367 4.25517e-16 428 63.54 2.10562e-05 -3.53998 63.540000 Cu 0.843274 0.6791 0.5 370 63.54 1.82467e-05 -3.53999 63.540000 Cu 0.843274 0.6791 4.34843e-16 371 63.54 1.82467e-05 -3.53999 63.540000 Cu 0.813431 0.703342 0.75 373 63.54 1.7031e-06 -3.53999 63.540000 Cu 0.813431 0.703342 0.25 383 63.54 1.7031e-06 -3.53999 63.540000 Cu 0.992545 0.682823 0.5 303 63.54 1.15914e-05 -3.54 63.540000 Cu 0.917912 0.680962 0.75 307 63.54 9.04063e-06 -3.53999 63.540000 Cu 0.992545 0.682823 4.37726e-16 316 63.54 1.15914e-05 -3.54 63.540000 Cu 0.917912 0.680962 0.25 317 63.54 9.04063e-06 -3.53999 63.540000 Cu 0.0820886 0.735056 0.5 311 63.54 1.80611e-07 -3.53999 63.540000 Cu 0.0373083 0.708943 0.5 312 63.54 1.69703e-06 -3.53999 63.540000 Cu 0.0373083 0.708943 3.93385e-16 313 63.54 1.69703e-06 -3.53999 63.540000 Cu 0.00746111 0.73319 0.75 315 63.54 1.80952e-07 -3.53999 63.540000 Cu 0.0820886 0.735056 3.8762e-16 324 63.54 1.80611e-07 -3.53999 63.540000 Cu 0.00746111 0.73319 0.25 325 63.54 1.80952e-07 -3.53999 63.540000 Cu 0.186565 0.712675 0.5 233 63.54 2.01574e-06 -3.53999 63.540000 Cu 0.111937 0.710808 0.75 237 63.54 1.80361e-06 -3.53999 63.540000 Cu 0.156716 0.736921 0.75 244 63.54 2.0226e-07 -3.53999 63.540000 Cu 0.186565 0.712675 4.08731e-16 246 63.54 2.01574e-06 -3.53999 63.540000 Cu 0.111937 0.710808 0.25 247 63.54 1.80361e-06 -3.53999 63.540000 Cu 0.156716 0.736921 0.25 248 63.54 2.0226e-07 -3.53999 63.540000 Cu 0.261193 0.71454 0.75 172 63.54 2.23448e-06 -3.53999 63.540000 Cu 0.30597 0.740652 0.75 173 63.54 8.82045e-08 -3.54 63.540000 Cu 0.261193 0.71454 0.25 176 63.54 2.23448e-06 -3.53999 63.540000 Cu 0.30597 0.740652 0.25 183 63.54 8.82045e-08 -3.54 63.540000 Cu 0.231343 0.738787 0.5 242 63.54 1.62687e-07 -3.53999 63.540000 Cu 0.231343 0.738787 4.38065e-16 243 63.54 1.62687e-07 -3.53999 63.540000 Cu 0.410451 0.718267 0.75 115 63.54 1.05066e-06 -3.54 63.540000 Cu 0.410451 0.718267 0.25 125 63.54 1.05066e-06 -3.54 63.540000 Cu 0.335822 0.716404 0.5 170 63.54 1.61572e-06 -3.53999 63.540000 Cu 0.335822 0.716404 4.43321e-16 171 63.54 1.61572e-06 -3.53999 63.540000 Cu 0.485078 0.720131 0.5 111 63.54 4.32061e-07 -3.54 63.540000 Cu 0.485078 0.720131 4.74351e-16 124 63.54 4.32061e-07 -3.54 63.540000 Cu 0.634328 0.723862 0.5 75 63.54 6.83355e-08 -3.53999 63.540000 Cu 0.634328 0.723862 3.86687e-16 76 63.54 6.83355e-08 -3.53999 63.540000 Cu 0.559702 0.721997 0.75 77 63.54 2.25457e-07 -3.54 63.540000 Cu 0.559702 0.721997 0.25 81 63.54 2.25457e-07 -3.54 63.540000 Cu 0.708956 0.725727 0.75 427 63.54 5.48213e-08 -3.54 63.540000 Cu 0.708956 0.725727 0.25 435 63.54 5.48213e-08 -3.54 63.540000 Cu 0.888059 0.705207 0.5 369 63.54 8.76014e-07 -3.53999 63.540000 Cu 0.858209 0.729458 0.75 380 63.54 3.00411e-08 -3.54 63.540000 Cu 0.888059 0.705207 4.57565e-16 382 63.54 8.76014e-07 -3.53999 63.540000 Cu 0.858209 0.729458 0.25 384 63.54 3.00411e-08 -3.54 63.540000 Cu 0.783582 0.727592 0.5 424 63.54 5.67398e-08 -3.54 63.540000 Cu 0.783582 0.727592 4.50189e-16 434 63.54 5.67398e-08 -3.54 63.540000 Cu 0.962687 0.707073 0.75 314 63.54 8.6757e-07 -3.54 63.540000 Cu 0.962687 0.707073 0.25 318 63.54 8.6757e-07 -3.54 63.540000 Cu 0.932836 0.731323 0.5 378 63.54 3.60863e-08 -3.54 63.540000 Cu 0.932836 0.731323 4.02796e-16 379 63.54 3.60863e-08 -3.54 63.540000 Cu 0.0522381 0.759306 0.75 322 63.54 3.34513e-08 -3.54 63.540000 Cu 0.0522381 0.759306 0.25 326 63.54 3.34513e-08 -3.54 63.540000 Cu 0.201492 0.763036 0.75 245 63.54 1.05584e-07 -3.53999 63.540000 Cu 0.201492 0.763036 0.25 255 63.54 1.05584e-07 -3.53999 63.540000 Cu 0.126865 0.761171 0.5 320 63.54 6.66512e-08 -3.54 63.540000 Cu 0.126865 0.761171 4.38658e-16 321 63.54 6.66512e-08 -3.54 63.540000 Cu 0.27612 0.764901 0.5 241 63.54 2.5062e-07 -3.53999 63.540000 Cu 0.27612 0.764901 5.24372e-16 254 63.54 2.5062e-07 -3.53999 63.540000 Cu 0.380598 0.742517 0.5 169 63.54 8.51126e-08 -3.54 63.540000 Cu 0.425374 0.768633 0.5 178 63.54 1.3859e-07 -3.53999 63.540000 Cu 0.425374 0.768633 4.58412e-16 179 63.54 1.3859e-07 -3.53999 63.540000 Cu 0.350748 0.766767 0.75 180 63.54 2.86322e-07 -3.53999 63.540000 Cu 0.380598 0.742517 5.26576e-16 182 63.54 8.51126e-08 -3.54 63.540000 Cu 0.350748 0.766767 0.25 184 63.54 2.86322e-07 -3.53999 63.540000 Cu 0.529851 0.746248 0.5 120 63.54 1.75322e-08 -3.54 63.540000 Cu 0.529851 0.746248 4.54004e-16 121 63.54 1.75322e-08 -3.54 63.540000 Cu 0.455225 0.744382 0.75 122 63.54 5.1962e-08 -3.54 63.540000 Cu 0.5 0.770499 0.75 123 63.54 1.02112e-07 -3.54 63.540000 Cu 0.455225 0.744382 0.25 126 63.54 5.1962e-08 -3.54 63.540000 Cu 0.5 0.770499 0.25 133 63.54 1.02112e-07 -3.54 63.540000 Cu 0.604478 0.748113 0.75 78 63.54 3.33743e-09 -3.54 63.540000 Cu 0.649255 0.774229 0.75 82 63.54 8.57112e-08 -3.53999 63.540000 Cu 0.604478 0.748113 0.25 83 63.54 3.33743e-09 -3.54 63.540000 Cu 0.649255 0.774229 0.25 84 63.54 8.57112e-08 -3.53999 63.540000 Cu 0.574627 0.772364 0.5 119 63.54 7.63845e-08 -3.54 63.540000 Cu 0.574627 0.772364 3.98981e-16 132 63.54 7.63845e-08 -3.54 63.540000 Cu 0.753731 0.751844 0.75 432 63.54 1.10672e-09 -3.54 63.540000 Cu 0.753731 0.751844 0.25 436 63.54 1.10672e-09 -3.54 63.540000 Cu 0.679105 0.749978 0.5 471 63.54 3.73066e-09 -3.54 63.540000 Cu 0.72388 0.776095 0.5 473 63.54 2.76166e-08 -3.54 63.540000 Cu 0.72388 0.776095 4.10002e-16 474 63.54 2.76166e-08 -3.54 63.540000 Cu 0.679105 0.749978 4.46373e-16 476 63.54 3.73066e-09 -3.54 63.540000 Cu 0.828358 0.753709 0.5 430 63.54 5.09258e-09 -3.54 63.540000 Cu 0.828358 0.753709 4.59938e-16 431 63.54 5.09258e-09 -3.54 63.540000 Cu 0.977611 0.75744 0.5 377 63.54 2.14382e-08 -3.54 63.540000 Cu 0.902985 0.755575 0.75 381 63.54 9.47325e-09 -3.54 63.540000 Cu 0.977611 0.75744 3.5837e-16 390 63.54 2.14382e-08 -3.54 63.540000 Cu 0.902985 0.755575 0.25 391 63.54 9.47325e-09 -3.54 63.540000 Cu 0.0970133 0.785419 0.75 323 63.54 1.03875e-06 -3.53999 63.540000 Cu 0.0970133 0.785419 0.25 333 63.54 1.03875e-06 -3.53999 63.540000 Cu 0.0671567 0.809664 0.5 385 63.54 5.16774e-06 -3.53999 63.540000 Cu 0.0223858 0.783556 0.5 386 63.54 5.02079e-07 -3.54 63.540000 Cu 0.0223858 0.783556 3.59981e-16 387 63.54 5.02079e-07 -3.54 63.540000 Cu 0.0671567 0.809664 4.78845e-16 398 63.54 5.16774e-06 -3.53999 63.540000 Cu 0.171641 0.787284 0.5 319 63.54 2.09029e-06 -3.53999 63.540000 Cu 0.216425 0.813384 0.5 328 63.54 1.893e-05 -3.53998 63.540000 Cu 0.216425 0.813384 4.21024e-16 329 63.54 1.893e-05 -3.53998 63.540000 Cu 0.141789 0.811523 0.75 330 63.54 1.1148e-05 -3.53999 63.540000 Cu 0.171641 0.787284 4.76301e-16 332 63.54 2.09029e-06 -3.53999 63.540000 Cu 0.141789 0.811523 0.25 334 63.54 1.1148e-05 -3.53999 63.540000 Cu 0.320901 0.791012 0.5 250 63.54 2.88035e-06 -3.53999 63.540000 Cu 0.320901 0.791012 3.80668e-16 251 63.54 2.88035e-06 -3.53999 63.540000 Cu 0.24627 0.789148 0.75 252 63.54 3.68286e-06 -3.53999 63.540000 Cu 0.24627 0.789148 0.25 256 63.54 3.68286e-06 -3.53999 63.540000 Cu 0.395527 0.792881 0.75 181 63.54 1.42291e-06 -3.53999 63.540000 Cu 0.395527 0.792881 0.25 191 63.54 1.42291e-06 -3.53999 63.540000 Cu 0.544777 0.796614 0.75 130 63.54 8.7176e-07 -3.53999 63.540000 Cu 0.544777 0.796614 0.25 134 63.54 8.7176e-07 -3.53999 63.540000 Cu 0.470147 0.794751 0.5 177 63.54 1.65861e-06 -3.54 63.540000 Cu 0.470147 0.794751 3.37429e-16 190 63.54 1.65861e-06 -3.54 63.540000 Cu 0.619407 0.798478 0.5 128 63.54 9.84301e-07 -3.53999 63.540000 Cu 0.619407 0.798478 3.42432e-16 129 63.54 9.84301e-07 -3.53999 63.540000 Cu 0.768657 0.802212 0.5 472 63.54 2.79906e-07 -3.53999 63.540000 Cu 0.694031 0.800346 0.75 475 63.54 4.07626e-07 -3.53999 63.540000 Cu 0.768657 0.802212 4.38828e-16 482 63.54 2.79906e-07 -3.53999 63.540000 Cu 0.694031 0.800346 0.25 483 63.54 4.07626e-07 -3.53999 63.540000 Cu 0.873134 0.779826 0.5 429 63.54 5.84064e-08 -3.54 63.540000 Cu 0.798506 0.77796 0.75 433 63.54 3.26597e-08 -3.54 63.540000 Cu 0.843279 0.804076 0.75 440 63.54 8.7745e-07 -3.54 63.540000 Cu 0.873134 0.779826 3.89146e-16 442 63.54 5.84064e-08 -3.54 63.540000 Cu 0.798506 0.77796 0.25 443 63.54 3.26597e-08 -3.54 63.540000 Cu 0.843279 0.804076 0.25 444 63.54 8.7745e-07 -3.54 63.540000 Cu 0.94776 0.781691 0.75 388 63.54 1.24448e-07 -3.54 63.540000 Cu 0.992527 0.807805 0.75 389 63.54 4.29191e-06 -3.54 63.540000 Cu 0.94776 0.781691 0.25 392 63.54 1.24448e-07 -3.54 63.540000 Cu 0.992527 0.807805 0.25 399 63.54 4.29191e-06 -3.54 63.540000 Cu 0.917904 0.805941 0.5 438 63.54 1.87206e-06 -3.54 63.540000 Cu 0.917904 0.805941 4.89781e-16 439 63.54 1.87206e-06 -3.54 63.540000 Cu 0.0372808 0.833904 0.75 396 63.54 2.46881e-05 -3.53999 63.540000 Cu 0.0372808 0.833904 0.25 400 63.54 2.46881e-05 -3.53999 63.540000 Cu 0.186598 0.837595 0.75 331 63.54 4.60805e-05 -3.53994 63.540000 Cu 0.186598 0.837595 0.25 341 63.54 4.60805e-05 -3.53994 63.540000 Cu 0.111933 0.835747 0.5 394 63.54 3.52712e-05 -3.53997 63.540000 Cu 0.111933 0.835747 3.99744e-16 395 63.54 3.52712e-05 -3.53997 63.540000 Cu 0.291066 0.815245 0.75 253 63.54 1.6597e-05 -3.53998 63.540000 Cu 0.291066 0.815245 0.25 263 63.54 1.6597e-05 -3.53998 63.540000 Cu 0.261265 0.839453 0.5 327 63.54 9.13825e-05 -3.53993 63.540000 Cu 0.261265 0.839453 4.22126e-16 340 63.54 9.13825e-05 -3.53993 63.540000 Cu 0.440289 0.819002 0.75 188 63.54 1.94564e-05 -3.54 63.540000 Cu 0.440289 0.819002 0.25 192 63.54 1.94564e-05 -3.54 63.540000 Cu 0.365682 0.817122 0.5 249 63.54 1.10348e-05 -3.53999 63.540000 Cu 0.410399 0.843259 0.5 258 63.54 0.00016879 -3.53998 63.540000 Cu 0.410399 0.843259 4.07204e-16 259 63.54 0.00016879 -3.53998 63.540000 Cu 0.335847 0.841352 0.75 260 63.54 9.0995e-05 -3.53998 63.540000 Cu 0.365682 0.817122 2.99193e-16 262 63.54 1.10348e-05 -3.53999 63.540000 Cu 0.335847 0.841352 0.25 264 63.54 9.0995e-05 -3.53998 63.540000 Cu 0.514929 0.820859 0.5 186 63.54 5.69862e-06 -3.53999 63.540000 Cu 0.514929 0.820859 4.04407e-16 187 63.54 5.69862e-06 -3.53999 63.540000 Cu 0.485073 0.845093 0.75 189 63.54 3.09456e-05 -3.53998 63.540000 Cu 0.485073 0.845093 0.25 199 63.54 3.09456e-05 -3.53998 63.540000 Cu 0.664189 0.824594 0.5 127 63.54 4.06252e-06 -3.53999 63.540000 Cu 0.589567 0.82272 0.75 131 63.54 6.48966e-06 -3.53999 63.540000 Cu 0.634369 0.848832 0.75 135 63.54 2.25088e-05 -3.53998 63.540000 Cu 0.664189 0.824594 3.69222e-16 136 63.54 4.06252e-06 -3.53999 63.540000 Cu 0.589567 0.82272 0.25 137 63.54 6.48966e-06 -3.53999 63.540000 Cu 0.634369 0.848832 0.25 138 63.54 2.25088e-05 -3.53998 63.540000 Cu 0.559746 0.846947 0.5 185 63.54 3.59559e-05 -3.53997 63.540000 Cu 0.559746 0.846947 5.58963e-16 198 63.54 3.59559e-05 -3.53997 63.540000 Cu 0.738816 0.826462 0.75 480 63.54 3.88404e-06 -3.53999 63.540000 Cu 0.738816 0.826462 0.25 484 63.54 3.88404e-06 -3.53999 63.540000 Cu 0.709007 0.850704 0.5 508 63.54 3.21939e-05 -3.53998 63.540000 Cu 0.709007 0.850704 5.11146e-16 509 63.54 3.21939e-05 -3.53998 63.540000 Cu 0.888031 0.830194 0.75 441 63.54 2.95592e-05 -3.53999 63.540000 Cu 0.888031 0.830194 0.25 451 63.54 2.95592e-05 -3.53999 63.540000 Cu 0.813432 0.82833 0.5 478 63.54 9.99172e-06 -3.53999 63.540000 Cu 0.813432 0.82833 4.04746e-16 479 63.54 9.99172e-06 -3.53999 63.540000 Cu 0.962641 0.83206 0.5 437 63.54 3.76023e-05 -3.53999 63.540000 Cu 0.962641 0.83206 5.465e-16 450 63.54 3.76023e-05 -3.53999 63.540000 Cu 0.0820581 0.859956 0.75 397 63.54 0.000120953 -3.53994 63.540000 Cu 0.0820581 0.859956 0.25 407 63.54 0.000120953 -3.53994 63.540000 Cu 0.0520827 0.884154 0.5 445 63.54 0.00103072 -3.53976 63.540000 Cu 0.00733671 0.858152 0.5 446 63.54 0.00016966 -3.53996 63.540000 Cu 0.00733671 0.858152 4.77149e-16 447 63.54 0.00016966 -3.53996 63.540000 Cu 0.0520827 0.884154 2.92071e-16 458 63.54 0.00103072 -3.53976 63.540000 Cu 0.15681 0.861775 0.5 393 63.54 0.000108954 -3.53986 63.540000 Cu 0.201941 0.887751 0.5 402 63.54 0.00175513 -3.53938 63.540000 Cu 0.201941 0.887751 3.83381e-16 403 63.54 0.00175513 -3.53938 63.540000 Cu 0.12705 0.885919 0.75 404 63.54 0.000421439 -3.53966 63.540000 Cu 0.15681 0.861775 3.86772e-16 406 63.54 0.000108954 -3.53986 63.540000 Cu 0.12705 0.885919 0.25 408 63.54 0.000421439 -3.53966 63.540000 Cu 0.30606 0.86558 0.5 336 63.54 0.000631723 -3.5399 63.540000 Cu 0.30606 0.86558 4.93681e-16 337 63.54 0.000631723 -3.5399 63.540000 Cu 0.23154 0.863625 0.75 338 63.54 0.000458019 -3.5398 63.540000 Cu 0.23154 0.863625 0.25 342 63.54 0.000458019 -3.5398 63.540000 Cu 0.380438 0.867546 0.75 261 63.54 0.00121055 -3.53979 63.540000 Cu 0.380438 0.867546 0.25 271 63.54 0.00121055 -3.53979 63.540000 Cu 0.529926 0.871142 0.75 196 63.54 0.000196929 -3.5399 63.540000 Cu 0.529926 0.871142 0.25 200 63.54 0.000196929 -3.5399 63.540000 Cu 0.455156 0.869316 0.5 257 63.54 0.000153142 -3.53994 63.540000 Cu 0.455156 0.869316 5.50909e-16 270 63.54 0.000153142 -3.53994 63.540000 Cu 0.604603 0.873054 0.5 194 63.54 9.89491e-05 -3.53995 63.540000 Cu 0.604603 0.873054 5.43109e-16 195 63.54 9.89491e-05 -3.53995 63.540000 Cu 0.753881 0.876852 0.5 507 63.54 0.000350698 -3.53988 63.540000 Cu 0.679279 0.87493 0.75 510 63.54 0.00013541 -3.53992 63.540000 Cu 0.753881 0.876852 4.98429e-16 516 63.54 0.000350698 -3.53988 63.540000 Cu 0.679279 0.87493 0.25 517 63.54 0.00013541 -3.53992 63.540000 Cu 0.858158 0.854476 0.5 477 63.54 0.000184382 -3.53996 63.540000 Cu 0.783614 0.852589 0.75 481 63.54 7.99843e-05 -3.53998 63.540000 Cu 0.828318 0.878803 0.75 488 63.54 0.000899927 -3.53974 63.540000 Cu 0.858158 0.854476 5.14961e-16 490 63.54 0.000184382 -3.53996 63.540000 Cu 0.783614 0.852589 0.25 491 63.54 7.99843e-05 -3.53998 63.540000 Cu 0.828318 0.878803 0.25 492 63.54 0.000899927 -3.53974 63.540000 Cu 0.932663 0.856337 0.75 448 63.54 0.000325583 -3.53987 63.540000 Cu 0.977147 0.882406 0.75 449 63.54 0.00136393 -3.53944 63.540000 Cu 0.932663 0.856337 0.25 452 63.54 0.000325583 -3.53987 63.540000 Cu 0.977147 0.882406 0.25 459 63.54 0.00136393 -3.53944 63.540000 Cu 0.90261 0.880726 0.5 486 63.54 0.00150956 -3.53932 63.540000 Cu 0.90261 0.880726 4.35691e-16 487 63.54 0.00150956 -3.53932 63.540000 Cu 0.097132 0.910002 0.5 454 63.54 0.00681588 -3.53841 63.540000 Cu 0.097132 0.910002 3.86603e-16 455 63.54 0.00681588 -3.53841 63.540000 Cu 0.0215133 0.908247 0.75 456 63.54 0.00723321 -3.53763 63.540000 Cu 0.0215133 0.908247 0.25 460 63.54 0.00723321 -3.53763 63.540000 Cu 0.172463 0.911764 0.75 405 63.54 0.00636918 -3.53825 63.540000 Cu 0.172463 0.911764 0.25 415 63.54 0.00636918 -3.53825 63.540000 Cu 0.276378 0.889804 0.75 339 63.54 0.0037216 -3.53939 63.540000 Cu 0.320246 0.916564 0.75 346 63.54 0.0362774 -3.53365 63.540000 Cu 0.276378 0.889804 0.25 349 63.54 0.0037216 -3.53939 63.540000 Cu 0.320246 0.916564 0.25 350 63.54 0.0362774 -3.53365 63.540000 Cu 0.246952 0.913992 0.5 401 63.54 0.024192 -3.53701 63.540000 Cu 0.246952 0.913992 4.67145e-16 414 63.54 0.024192 -3.53701 63.540000 Cu 0.425098 0.893544 0.75 268 63.54 0.000835308 -3.53969 63.540000 Cu 0.425098 0.893544 0.25 272 63.54 0.000835308 -3.53969 63.540000 Cu 0.350414 0.891947 0.5 335 63.54 0.00697102 -3.5388 63.540000 Cu 0.394983 0.917884 0.5 344 63.54 0.00132311 -3.53923 63.540000 Cu 0.394983 0.917884 4.61888e-16 345 63.54 0.00132311 -3.53923 63.540000 Cu 0.350414 0.891947 5.01566e-16 348 63.54 0.00697102 -3.5388 63.540000 Cu 0.544757 0.92133 0.5 265 63.54 0.00219261 -3.53943 63.540000 Cu 0.50001 0.89528 0.5 266 63.54 0.000932629 -3.5397 63.540000 Cu 0.50001 0.89528 4.81982e-16 267 63.54 0.000932629 -3.5397 63.540000 Cu 0.469845 0.919341 0.75 269 63.54 0.00481579 -3.53931 63.540000 Cu 0.544757 0.92133 4.08561e-16 278 63.54 0.00219261 -3.53943 63.540000 Cu 0.469845 0.919341 0.25 279 63.54 0.00481579 -3.53931 63.540000 Cu 0.649698 0.899128 0.5 193 63.54 0.000401676 -3.53972 63.540000 Cu 0.574831 0.897234 0.75 197 63.54 0.000513704 -3.53983 63.540000 Cu 0.620129 0.923231 0.75 201 63.54 0.00230805 -3.53893 63.540000 Cu 0.649698 0.899128 4.61041e-16 203 63.54 0.000401676 -3.53972 63.540000 Cu 0.574831 0.897234 0.25 204 63.54 0.000513704 -3.53983 63.540000 Cu 0.620129 0.923231 0.25 205 63.54 0.00230805 -3.53893 63.540000 Cu 0.724334 0.901094 0.75 514 63.54 0.000998701 -3.53963 63.540000 Cu 0.724334 0.901094 0.25 518 63.54 0.000998701 -3.53963 63.540000 Cu 0.695102 0.925264 0.5 530 63.54 0.00325216 -3.5385 63.540000 Cu 0.695102 0.925264 3.73546e-16 531 63.54 0.00325216 -3.5385 63.540000 Cu 0.872505 0.905293 0.75 489 63.54 0.00600262 -3.53747 63.540000 Cu 0.872505 0.905293 0.25 499 63.54 0.00600262 -3.53747 63.540000 Cu 0.798645 0.903175 0.5 512 63.54 0.00411357 -3.53879 63.540000 Cu 0.798645 0.903175 3.64983e-16 513 63.54 0.00411357 -3.53879 63.540000 Cu 0.946848 0.90687 0.5 485 63.54 0.00198412 -3.53859 63.540000 Cu 0.946848 0.90687 4.15598e-16 498 63.54 0.00198412 -3.53859 63.540000 Cu 0.0657967 0.933684 0.75 457 63.54 0.0488135 -3.53106 63.540000 Cu 0.0657967 0.933684 0.25 467 63.54 0.0488135 -3.53106 63.540000 Cu 0.0361734 0.958278 0.5 493 63.54 0.00913977 -3.53737 63.540000 Cu 0.0361734 0.958278 4.22974e-16 504 63.54 0.00913977 -3.53737 63.540000 Cu 0.111092 0.958309 0.75 464 63.54 0.264647 -3.50915 63.540000 Cu 0.111092 0.958309 0.25 468 63.54 0.264647 -3.50915 63.540000 Cu 0.218258 0.93811 0.75 412 63.54 0.144947 -3.50811 63.540000 Cu 0.218258 0.93811 0.25 416 63.54 0.144947 -3.50811 63.540000 Cu 0.143017 0.935661 0.5 453 63.54 0.0432082 -3.5288 63.540000 Cu 0.188332 0.961495 0.5 462 63.54 5.24963 -3.45628 63.540000 Cu 0.188332 0.961495 3.61677e-16 463 63.54 5.24963 -3.45628 63.540000 Cu 0.143017 0.935661 5.12842e-16 466 63.54 0.0432082 -3.5288 63.540000 Cu 0.28961 0.941651 0.5 410 63.54 0.199241 -3.51213 63.540000 Cu 0.28961 0.941651 4.87323e-16 411 63.54 0.199241 -3.51213 63.540000 Cu 0.439879 0.943502 0.5 343 63.54 0.0158675 -3.53868 63.540000 Cu 0.364781 0.942346 0.75 347 63.54 0.0075771 -3.53791 63.540000 Cu 0.439879 0.943502 3.37429e-16 356 63.54 0.0158675 -3.53868 63.540000 Cu 0.364781 0.942346 0.25 357 63.54 0.0075771 -3.53791 63.540000 Cu 0.513946 0.945341 0.75 276 63.54 0.0160598 -3.53626 63.540000 Cu 0.513946 0.945341 0.25 280 63.54 0.0160598 -3.53626 63.540000 Cu 0.666129 0.949249 0.75 202 63.54 0.012728 -3.5353 63.540000 Cu 0.666129 0.949249 0.25 206 63.54 0.012728 -3.5353 63.540000 Cu 0.589941 0.947116 0.5 274 63.54 0.00838144 -3.5362 63.540000 Cu 0.589941 0.947116 3.78379e-16 275 63.54 0.00838144 -3.5362 63.540000 Cu 0.769342 0.927489 0.75 515 63.54 0.0217735 -3.53565 63.540000 Cu 0.769342 0.927489 0.25 525 63.54 0.0217735 -3.53565 63.540000 Cu 0.741369 0.951675 0.5 529 63.54 0.0836584 -3.52629 63.540000 Cu 0.741369 0.951675 2.68757e-16 535 63.54 0.0836584 -3.52629 63.540000 Cu 0.842596 0.930137 0.5 511 63.54 0.0262707 -3.53304 63.540000 Cu 0.887256 0.956594 0.5 520 63.54 0.0083197 -3.53348 63.540000 Cu 0.887256 0.956594 2.08816e-16 521 63.54 0.0083197 -3.53348 63.540000 Cu 0.813463 0.955273 0.75 522 63.54 0.0869274 -3.52596 63.540000 Cu 0.842596 0.930137 3.27425e-16 524 63.54 0.0262707 -3.53304 63.540000 Cu 0.813463 0.955273 0.25 526 63.54 0.0869274 -3.52596 63.540000 Cu 0.991083 0.932755 0.5 494 63.54 0.00409274 -3.5382 63.540000 Cu 0.991083 0.932755 3.47264e-16 495 63.54 0.00409274 -3.5382 63.540000 Cu 0.916599 0.931568 0.75 496 63.54 0.00555922 -3.53692 63.540000 Cu 0.961363 0.957471 0.75 497 63.54 0.00640498 -3.53651 63.540000 Cu 0.916599 0.931568 0.25 500 63.54 0.00555922 -3.53692 63.540000 Cu 0.961363 0.957471 0.25 505 63.54 0.00640498 -3.53651 63.540000 Cu 0.0810815 0.983568 0.5 501 63.54 6.16996 -3.51038 63.540000 Cu 0.0810815 0.983568 1.76939e-16 502 63.54 6.16996 -3.51038 63.540000 Cu 0.00648175 0.983005 0.75 503 63.54 6.18184 -3.52283 63.540000 Cu 0.00648175 0.983005 0.25 506 63.54 6.18184 -3.52283 63.540000 Cu 0.152577 0.982706 0.75 465 63.54 10.7945 -3.32014 63.540000 Cu 0.152577 0.982706 0.25 470 63.54 10.7945 -3.32014 63.540000 Cu 0.259863 0.967744 0.75 413 63.54 6.87098 -3.24096 63.540000 Cu 0.259863 0.967744 0.25 421 63.54 6.87098 -3.24096 63.540000 Cu 0.410591 0.967569 0.75 354 63.54 0.14959 -3.52779 63.540000 Cu 0.410591 0.967569 0.25 358 63.54 0.14959 -3.52779 63.540000 Cu 0.33507 0.967004 0.5 409 63.54 5.16501 -3.2784 63.540000 Cu 0.386667 0.99128 0.5 417 63.54 6.29034 -3.29579 63.540000 Cu 0.386667 0.99128 2.05255e-16 418 63.54 6.29034 -3.29579 63.540000 Cu 0.33507 0.967004 3.20558e-16 420 63.54 5.16501 -3.2784 63.540000 Cu 0.529331 0.995473 0.5 351 63.54 0.0111922 -3.52891 63.540000 Cu 0.483669 0.97 0.5 352 63.54 0.0791906 -3.53456 63.540000 Cu 0.483669 0.97 2.3069e-16 353 63.54 0.0791906 -3.53456 63.540000 Cu 0.456745 0.99511 0.75 355 63.54 0.313716 -3.51789 63.540000 Cu 0.529331 0.995473 4.00761e-16 359 63.54 0.0111922 -3.52891 63.540000 Cu 0.456745 0.99511 0.25 360 63.54 0.313716 -3.51789 63.540000 Cu 0.63534 0.972775 0.5 273 63.54 0.0293917 -3.5216 63.540000 Cu 0.558079 0.97068 0.75 277 63.54 0.0838886 -3.52833 63.540000 Cu 0.602466 0.99534 0.75 281 63.54 0.26239 -3.50875 63.540000 Cu 0.63534 0.972775 1.32598e-16 282 63.54 0.0293917 -3.5216 63.540000 Cu 0.558079 0.97068 0.25 283 63.54 0.0838886 -3.52833 63.540000 Cu 0.602466 0.99534 0.25 284 63.54 0.26239 -3.50875 63.540000 Cu 0.71321 0.975415 0.75 534 63.54 5.53135 -3.45611 63.540000 Cu 0.71321 0.975415 0.25 536 63.54 5.53135 -3.45611 63.540000 Cu 0.680537 0.997687 0.5 537 63.54 8.49212 -3.40407 63.540000 Cu 0.680537 0.997687 1 538 63.54 8.49212 -3.40407 63.540000 Cu 0.858845 0.982045 0.75 523 63.54 5.97789 -3.51746 63.540000 Cu 0.858845 0.982045 0.25 528 63.54 5.97789 -3.51746 63.540000 Cu 0.784848 0.98039 0.5 532 63.54 6.11549 -3.41031 63.540000 Cu 0.784848 0.98039 9.01225e-17 533 63.54 6.11549 -3.41031 63.540000 Cu 0.932461 0.982665 0.5 519 63.54 6.07301 -3.5208 63.540000 Cu 0.932461 0.982665 2.39422e-16 527 63.54 6.07301 -3.5208