Number of particles = 896 A = 1 Angstrom (basic length-scale) H0(1,1) = 38.4561 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 76.8623 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60342 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 0.0216249 0.0544008 1.68494e-18 582 63.546 0.000702561 -3.53785 63.546000 Cu 0.0262103 0.0209721 1.22038e-16 585 63.546 0.00185108 -3.53705 63.546000 Cu 0.0927062 0.0213076 3.99571e-17 586 63.546 0.00302415 -3.53455 63.546000 Cu 0.0616116 0.00432768 0.5 587 63.546 0.00755082 -3.53662 63.546000 Cu 0.0571805 0.0379149 0.5 588 63.546 0.000973535 -3.53686 63.546000 Cu 0.0880742 0.0550565 1 631 63.546 0.00245553 -3.53677 63.546000 Cu 0.128133 0.00458214 0.5 589 63.546 0.00956842 -3.53126 63.546000 Cu 0.123492 0.0385513 0.5 633 63.546 0.00738886 -3.53471 63.546000 Cu 0.15885 0.0220181 1.22278e-16 635 63.546 0.0197405 -3.5302 63.546000 Cu 0.194321 0.0053699 0.5 637 63.546 0.0748823 -3.52503 63.546000 Cu 0.189286 0.0400977 0.5 638 63.546 0.0340694 -3.53445 63.546000 Cu 0.224174 0.0242309 1 636 63.546 0.0730428 -3.52618 63.546000 Cu 0.259265 0.0090192 0.5 639 63.546 0.222532 -3.51477 63.546000 Cu 0.254753 0.0437783 0.5 691 63.546 0.0326083 -3.53229 63.546000 Cu 0.28928 0.0293176 0 693 63.546 0.0936274 -3.52595 63.546000 Cu 0.324941 0.0170572 0.5 695 63.546 0.528768 -3.47372 63.546000 Cu 0.320919 0.0494945 0.5 696 63.546 0.0975714 -3.51878 63.546000 Cu 0.361428 0.00304622 3.34581e-17 455 63.546 0.463317 -3.49614 63.546000 Cu 0.428371 0.00387681 1 456 63.546 0.0110406 -3.53863 63.546000 Cu 0.392725 0.0199001 0.5 457 63.546 0.0361372 -3.53441 63.546000 Cu 0.388055 0.052499 0.5 459 63.546 0.0234385 -3.5338 63.546000 Cu 0.423826 0.0367807 0 461 63.546 0.00821846 -3.5374 63.546000 Cu 0.356582 0.0351479 1.83177e-16 694 63.546 0.122591 -3.52222 63.546000 Cu 0.490624 0.0374479 0 462 63.546 0.00115476 -3.53826 63.546000 Cu 0.459555 0.0206131 0.5 463 63.546 0.00295916 -3.53934 63.546000 Cu 0.454935 0.0537067 0.5 464 63.546 0.00260584 -3.53849 63.546000 Cu 0.495035 0.00415409 1 465 63.546 0.00832439 -3.53899 63.546000 Cu 0.52621 0.0209721 0.5 467 63.546 0.00185108 -3.53705 63.546000 Cu 0.521625 0.0544008 0.5 477 63.546 0.000702561 -3.53785 63.546000 Cu 0.561612 0.00432768 0 466 63.546 0.00755082 -3.53662 63.546000 Cu 0.55718 0.0379149 1 479 63.546 0.000973535 -3.53686 63.546000 Cu 0.623492 0.0385513 1.23e-16 480 63.546 0.00738886 -3.53471 63.546000 Cu 0.592706 0.0213076 0.5 481 63.546 0.00302415 -3.53455 63.546000 Cu 0.628133 0.00458214 2.02193e-17 483 63.546 0.00956842 -3.53126 63.546000 Cu 0.65885 0.0220181 0.5 485 63.546 0.0197405 -3.5302 63.546000 Cu 0.588074 0.0550565 0.5 482 63.546 0.00245553 -3.53677 63.546000 Cu 0.694321 0.0053699 1.06633e-16 484 63.546 0.0748823 -3.52503 63.546000 Cu 0.689286 0.0400977 0 505 63.546 0.0340694 -3.53445 63.546000 Cu 0.754753 0.0437783 1 506 63.546 0.0326083 -3.53229 63.546000 Cu 0.724174 0.0242309 0.5 507 63.546 0.0730428 -3.52618 63.546000 Cu 0.759265 0.0090192 0 509 63.546 0.222532 -3.51477 63.546000 Cu 0.824941 0.0170572 0 510 63.546 0.528768 -3.47372 63.546000 Cu 0.78928 0.0293176 0.5 511 63.546 0.0936274 -3.52595 63.546000 Cu 0.861428 0.00304622 0.5 512 63.546 0.463317 -3.49614 63.546000 Cu 0.820919 0.0494945 0 539 63.546 0.0975714 -3.51878 63.546000 Cu 0.888055 0.052499 1.57181e-16 540 63.546 0.0234385 -3.5338 63.546000 Cu 0.856582 0.0351479 0.5 541 63.546 0.122591 -3.52222 63.546000 Cu 0.892725 0.0199001 0 543 63.546 0.0361372 -3.53441 63.546000 Cu 0.959555 0.0206131 1.22278e-16 544 63.546 0.00295916 -3.53934 63.546000 Cu 0.928371 0.00387681 0.5 545 63.546 0.0110406 -3.53863 63.546000 Cu 0.923826 0.0367807 0.5 546 63.546 0.00821846 -3.5374 63.546000 Cu 0.995035 0.00415409 0.5 547 63.546 0.00832439 -3.53899 63.546000 Cu 0.954935 0.0537067 0 581 63.546 0.00260584 -3.53849 63.546000 Cu 0.990624 0.0374479 0.5 583 63.546 0.00115476 -3.53826 63.546000 Cu 0.0170126 0.0877893 1.73067e-16 627 63.546 0.00052602 -3.5388 63.546000 Cu 0.0834277 0.0886968 1 628 63.546 0.00222838 -3.53795 63.546000 Cu 0.0525777 0.0714606 0.5 629 63.546 0.000824203 -3.53755 63.546000 Cu 0.0479302 0.104955 0.5 630 63.546 0.000600025 -3.53858 63.546000 Cu 0.118851 0.0724189 0.5 634 63.546 0.00649419 -3.53733 63.546000 Cu 0.114245 0.106138 0.5 683 63.546 0.00534528 -3.53886 63.546000 Cu 0.154152 0.0562036 1 632 63.546 0.0145047 -3.53638 63.546000 Cu 0.149586 0.0901193 0 685 63.546 0.0108832 -3.53877 63.546000 Cu 0.215449 0.0927595 1 686 63.546 0.0128991 -3.53934 63.546000 Cu 0.184807 0.0742753 0.5 687 63.546 0.0196533 -3.53875 63.546000 Cu 0.180295 0.10816 0.5 688 63.546 0.0113109 -3.53947 63.546000 Cu 0.219853 0.0587481 1 689 63.546 0.0292868 -3.53635 63.546000 Cu 0.285582 0.0632382 1 690 63.546 0.0130147 -3.5364 63.546000 Cu 0.250563 0.0777671 0.5 692 63.546 0.0102991 -3.53778 63.546000 Cu 0.281443 0.0966967 2.44797e-16 747 63.546 0.00365782 -3.53725 63.546000 Cu 0.316789 0.0823122 0.5 749 63.546 0.027331 -3.53018 63.546000 Cu 0.419275 0.0696833 1.22278e-16 458 63.546 0.00793441 -3.53752 63.546000 Cu 0.383614 0.0852602 0.5 460 63.546 0.0139968 -3.53512 63.546000 Cu 0.414718 0.102645 1 471 63.546 0.0061062 -3.53792 63.546000 Cu 0.347999 0.100439 3.99571e-17 748 63.546 0.0174022 -3.53391 63.546000 Cu 0.352377 0.0676735 1 751 63.546 0.0428598 -3.52863 63.546000 Cu 0.450384 0.0868162 0.5 473 63.546 0.00311827 -3.53868 63.546000 Cu 0.481375 0.103948 1 472 63.546 0.000941748 -3.53912 63.546000 Cu 0.486025 0.0706915 1 475 63.546 0.000914177 -3.53896 63.546000 Cu 0.552578 0.0714606 1 476 63.546 0.000824203 -3.53755 63.546000 Cu 0.517013 0.0877893 0.5 478 63.546 0.00052602 -3.5388 63.546000 Cu 0.54793 0.104955 5.27145e-17 497 63.546 0.000600025 -3.53858 63.546000 Cu 0.614245 0.106138 1 498 63.546 0.00534528 -3.53886 63.546000 Cu 0.583428 0.0886968 0.5 499 63.546 0.00222838 -3.53795 63.546000 Cu 0.618851 0.0724189 1.92564e-17 501 63.546 0.00649419 -3.53733 63.546000 Cu 0.654152 0.0562036 0.5 503 63.546 0.0145047 -3.53638 63.546000 Cu 0.649586 0.0901193 0.5 504 63.546 0.0108832 -3.53877 63.546000 Cu 0.684807 0.0742753 0 502 63.546 0.0196533 -3.53875 63.546000 Cu 0.719853 0.0587481 0.5 508 63.546 0.0292868 -3.53635 63.546000 Cu 0.680295 0.10816 1.44183e-16 531 63.546 0.0113109 -3.53947 63.546000 Cu 0.715449 0.0927595 0.5 533 63.546 0.0128991 -3.53934 63.546000 Cu 0.750563 0.0777671 1 535 63.546 0.0102991 -3.53778 63.546000 Cu 0.785582 0.0632382 0.5 537 63.546 0.0130147 -3.5364 63.546000 Cu 0.781443 0.0966967 0.5 538 63.546 0.00365782 -3.53725 63.546000 Cu 0.816789 0.0823122 1.52367e-16 536 63.546 0.027331 -3.53018 63.546000 Cu 0.852377 0.0676735 0.5 542 63.546 0.0428598 -3.52863 63.546000 Cu 0.847999 0.100439 0.5 575 63.546 0.0174022 -3.53391 63.546000 Cu 0.883614 0.0852602 6.98046e-18 577 63.546 0.0139968 -3.53512 63.546000 Cu 0.950384 0.0868162 0 578 63.546 0.00311827 -3.53868 63.546000 Cu 0.919275 0.0696833 0.5 579 63.546 0.00793441 -3.53752 63.546000 Cu 0.914718 0.102645 0.5 580 63.546 0.0061062 -3.53792 63.546000 Cu 0.986025 0.0706915 0.5 584 63.546 0.000914177 -3.53896 63.546000 Cu 0.981375 0.103948 0.5 625 63.546 0.000941748 -3.53912 63.546000 Cu 0.0123951 0.12114 1 624 63.546 0.000347118 -3.53902 63.546000 Cu 0.0743937 0.155714 3.43727e-16 678 63.546 0.00163465 -3.53958 63.546000 Cu 0.0433889 0.138378 0.5 679 63.546 0.000372917 -3.5389 63.546000 Cu 0.0788357 0.122257 0 681 63.546 0.00181831 -3.53884 63.546000 Cu 0.10978 0.139728 0.5 684 63.546 0.00446123 -3.5396 63.546000 Cu 0.00790062 0.15445 1 677 63.546 0.000133886 -3.53919 63.546000 Cu 0.145067 0.123843 1 682 63.546 0.00827546 -3.53975 63.546000 Cu 0.140701 0.157431 1 739 63.546 0.00599893 -3.54013 63.546000 Cu 0.206874 0.160046 3.36988e-18 740 63.546 0.00351986 -3.53963 63.546000 Cu 0.175941 0.141849 0.5 741 63.546 0.00664795 -3.54021 63.546000 Cu 0.211099 0.12648 1 743 63.546 0.00655808 -3.54005 63.546000 Cu 0.277227 0.130036 8.23213e-17 744 63.546 0.00128868 -3.53798 63.546000 Cu 0.246243 0.111425 0.5 745 63.546 0.00386227 -3.53908 63.546000 Cu 0.242021 0.14493 0.5 746 63.546 0.00171877 -3.53908 63.546000 Cu 0.312505 0.115292 0.5 750 63.546 0.0091939 -3.53495 63.546000 Cu 0.273059 0.163345 0 793 63.546 0.000399718 -3.53819 63.546000 Cu 0.308288 0.148414 0.5 795 63.546 0.00391252 -3.53731 63.546000 Cu 0.339429 0.166519 0 794 63.546 0.00537078 -3.53855 63.546000 Cu 0.410225 0.135702 1 468 63.546 0.00486184 -3.5389 63.546000 Cu 0.37913 0.118168 0.5 469 63.546 0.00878851 -3.5374 63.546000 Cu 0.374769 0.151217 0.5 470 63.546 0.00604762 -3.53857 63.546000 Cu 0.441333 0.153106 0.5 491 63.546 0.00222669 -3.53952 63.546000 Cu 0.343656 0.133404 2.44797e-16 797 63.546 0.00867521 -3.5368 63.546000 Cu 0.445786 0.11994 0.5 474 63.546 0.00262899 -3.53921 63.546000 Cu 0.476853 0.137194 1.22278e-16 493 63.546 0.000827214 -3.53941 63.546000 Cu 0.543389 0.138378 3.99571e-17 494 63.546 0.000372917 -3.5389 63.546000 Cu 0.512395 0.12114 0.5 495 63.546 0.000347118 -3.53902 63.546000 Cu 0.507901 0.15445 0.5 496 63.546 0.000133886 -3.53919 63.546000 Cu 0.578836 0.122257 0.5 500 63.546 0.00181831 -3.53884 63.546000 Cu 0.574394 0.155714 0.5 525 63.546 0.00163465 -3.53958 63.546000 Cu 0.60978 0.139728 1 527 63.546 0.00446123 -3.5396 63.546000 Cu 0.645067 0.123843 0.5 529 63.546 0.00827546 -3.53975 63.546000 Cu 0.640701 0.157431 0.5 530 63.546 0.00599893 -3.54013 63.546000 Cu 0.675941 0.141849 1 528 63.546 0.00664795 -3.54021 63.546000 Cu 0.746243 0.111425 3.99571e-17 532 63.546 0.00386227 -3.53908 63.546000 Cu 0.711099 0.12648 0.5 534 63.546 0.00655808 -3.54005 63.546000 Cu 0.706874 0.160046 0.5 567 63.546 0.00351986 -3.53963 63.546000 Cu 0.742021 0.14493 1 569 63.546 0.00171877 -3.53908 63.546000 Cu 0.777227 0.130036 0.5 571 63.546 0.00128868 -3.53798 63.546000 Cu 0.773059 0.163345 0.5 572 63.546 0.000399718 -3.53819 63.546000 Cu 0.808288 0.148414 0 570 63.546 0.00391252 -3.53731 63.546000 Cu 0.812505 0.115292 1 573 63.546 0.0091939 -3.53495 63.546000 Cu 0.87913 0.118168 1 574 63.546 0.00878851 -3.5374 63.546000 Cu 0.843656 0.133404 0.5 576 63.546 0.00867521 -3.5368 63.546000 Cu 0.839429 0.166519 0.5 617 63.546 0.00537078 -3.53855 63.546000 Cu 0.874769 0.151217 1 619 63.546 0.00604762 -3.53857 63.546000 Cu 0.941333 0.153106 1 620 63.546 0.00222669 -3.53952 63.546000 Cu 0.910225 0.135702 0.5 621 63.546 0.00486184 -3.5389 63.546000 Cu 0.945786 0.11994 2.40705e-19 623 63.546 0.00262899 -3.53921 63.546000 Cu 0.976853 0.137194 0.5 626 63.546 0.000827214 -3.53941 63.546000 Cu 0.038943 0.171743 0.5 680 63.546 0.000261657 -3.53953 63.546000 Cu 0.0344337 0.205077 0.5 733 63.546 0.000211538 -3.53955 63.546000 Cu 0.0699402 0.189103 1.17224e-16 735 63.546 0.00144969 -3.53966 63.546000 Cu 0.105374 0.17321 0.5 737 63.546 0.00345833 -3.53993 63.546000 Cu 0.100882 0.206587 0.5 738 63.546 0.0032201 -3.53976 63.546000 Cu 0.00344802 0.187759 0 674 63.546 7.78484e-05 -3.53932 63.546000 Cu 0.136316 0.190883 3.99571e-17 736 63.546 0.00484694 -3.54013 63.546000 Cu 0.171658 0.175364 0.5 742 63.546 0.00503656 -3.54019 63.546000 Cu 0.167202 0.208755 0.5 787 63.546 0.00447807 -3.53992 63.546000 Cu 0.202588 0.193469 1 789 63.546 0.00266034 -3.5398 63.546000 Cu 0.268829 0.196641 2.44797e-16 790 63.546 0.000235961 -3.53916 63.546000 Cu 0.237879 0.178342 0.5 791 63.546 0.000988762 -3.53894 63.546000 Cu 0.233456 0.211693 0.5 792 63.546 0.000612543 -3.53963 63.546000 Cu 0.304166 0.181638 0.5 796 63.546 0.00253229 -3.53833 63.546000 Cu 0.299713 0.214913 0.5 833 63.546 0.00178469 -3.53981 63.546000 Cu 0.335147 0.199744 1.22278e-16 835 63.546 0.00456662 -3.5391 63.546000 Cu 0.401519 0.202083 6.18613e-17 486 63.546 0.00370849 -3.53901 63.546000 Cu 0.370524 0.184397 0.5 487 63.546 0.00510128 -3.53908 63.546000 Cu 0.366029 0.217649 0.5 488 63.546 0.00445172 -3.53986 63.546000 Cu 0.405903 0.168844 0 489 63.546 0.00381501 -3.5396 63.546000 Cu 0.436969 0.186332 0.5 492 63.546 0.00190256 -3.53913 63.546000 Cu 0.432441 0.2196 0.5 517 63.546 0.00162066 -3.53934 63.546000 Cu 0.472429 0.170446 1 490 63.546 0.000727979 -3.53938 63.546000 Cu 0.467954 0.203732 1 519 63.546 0.000761648 -3.53897 63.546000 Cu 0.534434 0.205077 5.89728e-17 520 63.546 0.000211538 -3.53955 63.546000 Cu 0.503448 0.187759 0.5 521 63.546 7.78484e-05 -3.53932 63.546000 Cu 0.498905 0.221073 0.5 522 63.546 0.000134322 -3.53935 63.546000 Cu 0.538943 0.171743 0 523 63.546 0.000261657 -3.53953 63.546000 Cu 0.605374 0.17321 1.44664e-16 524 63.546 0.00345833 -3.53993 63.546000 Cu 0.56994 0.189103 0.5 526 63.546 0.00144969 -3.53966 63.546000 Cu 0.600882 0.206587 3.99571e-17 561 63.546 0.0032201 -3.53976 63.546000 Cu 0.636316 0.190883 0.5 563 63.546 0.00484694 -3.54013 63.546000 Cu 0.667202 0.208755 3.99571e-17 562 63.546 0.00447807 -3.53992 63.546000 Cu 0.671658 0.175364 1 565 63.546 0.00503656 -3.54019 63.546000 Cu 0.737879 0.178342 1 566 63.546 0.000988762 -3.53894 63.546000 Cu 0.702588 0.193469 0.5 568 63.546 0.00266034 -3.5398 63.546000 Cu 0.733456 0.211693 0 611 63.546 0.000612543 -3.53963 63.546000 Cu 0.768829 0.196641 0.5 613 63.546 0.000235961 -3.53916 63.546000 Cu 0.799713 0.214913 9.12274e-17 612 63.546 0.00178469 -3.53981 63.546000 Cu 0.804166 0.181638 0 615 63.546 0.00253229 -3.53833 63.546000 Cu 0.870524 0.184397 0 616 63.546 0.00510128 -3.53908 63.546000 Cu 0.835147 0.199744 0.5 618 63.546 0.00456662 -3.5391 63.546000 Cu 0.866029 0.217649 1 669 63.546 0.00445172 -3.53986 63.546000 Cu 0.905903 0.168844 0.5 622 63.546 0.00381501 -3.5396 63.546000 Cu 0.932441 0.2196 0 670 63.546 0.00162066 -3.53934 63.546000 Cu 0.901519 0.202083 0.5 671 63.546 0.00370849 -3.53901 63.546000 Cu 0.936969 0.186332 0 673 63.546 0.00190256 -3.53913 63.546000 Cu 0.972429 0.170446 0.5 675 63.546 0.000727979 -3.53938 63.546000 Cu 0.967954 0.203732 0.5 676 63.546 0.000761648 -3.53897 63.546000 Cu 0.998905 0.221073 1 731 63.546 0.000134322 -3.53935 63.546000 Cu 0.0653882 0.22244 1.03503e-16 732 63.546 0.00136285 -3.53952 63.546000 Cu 0.0298405 0.238387 0.5 734 63.546 0.000219321 -3.53928 63.546000 Cu 0.0251593 0.27165 0.5 779 63.546 0.000238789 -3.53912 63.546000 Cu 0.0607488 0.25573 1 781 63.546 0.00112454 -3.53905 63.546000 Cu 0.0962837 0.239897 0.5 783 63.546 0.00313765 -3.539 63.546000 Cu 0.0917051 0.273127 0.5 784 63.546 0.00334926 -3.53933 63.546000 Cu 0.127198 0.257493 1.92324e-16 782 63.546 0.00499951 -3.53885 63.546000 Cu 0.131767 0.224238 1 785 63.546 0.00436404 -3.53928 63.546000 Cu 0.198054 0.226813 1.41294e-16 786 63.546 0.00253996 -3.53914 63.546000 Cu 0.162611 0.242057 0.5 788 63.546 0.00479717 -3.53851 63.546000 Cu 0.158184 0.275277 0.5 825 63.546 0.00609403 -3.53851 63.546000 Cu 0.193538 0.26008 1.10724e-17 827 63.546 0.00370023 -3.53839 63.546000 Cu 0.228887 0.245014 0.5 829 63.546 0.000850172 -3.53912 63.546000 Cu 0.259773 0.263352 1.78844e-16 828 63.546 0.00036733 -3.53909 63.546000 Cu 0.264299 0.229981 1.11206e-16 831 63.546 7.4285e-05 -3.53974 63.546000 Cu 0.330525 0.23306 3.99571e-17 832 63.546 0.00450433 -3.54017 63.546000 Cu 0.295093 0.24827 0.5 834 63.546 0.00206642 -3.53956 63.546000 Cu 0.325923 0.266462 1 865 63.546 0.00537561 -3.5397 63.546000 Cu 0.392178 0.268737 0 513 63.546 0.00350962 -3.54001 63.546000 Cu 0.361325 0.251001 0.5 514 63.546 0.00493011 -3.54021 63.546000 Cu 0.396857 0.235376 2.2867e-17 515 63.546 0.00330421 -3.54002 63.546000 Cu 0.427711 0.252917 0.5 518 63.546 0.00161902 -3.5396 63.546000 Cu 0.463322 0.237034 3.73093e-17 516 63.546 0.000772396 -3.53933 63.546000 Cu 0.4586 0.270327 2.44557e-16 553 63.546 0.000616497 -3.53954 63.546000 Cu 0.525159 0.27165 0 554 63.546 0.000238789 -3.53912 63.546000 Cu 0.494223 0.254365 0.5 555 63.546 7.3578e-05 -3.53916 63.546000 Cu 0.52984 0.238387 1 557 63.546 0.000219321 -3.53928 63.546000 Cu 0.560749 0.25573 0.5 560 63.546 0.00112454 -3.53905 63.546000 Cu 0.596284 0.239897 1.22278e-16 558 63.546 0.00313765 -3.539 63.546000 Cu 0.565388 0.22244 0.5 559 63.546 0.00136285 -3.53952 63.546000 Cu 0.631767 0.224238 0.5 564 63.546 0.00436404 -3.53928 63.546000 Cu 0.591705 0.273127 1 603 63.546 0.00334926 -3.53933 63.546000 Cu 0.658184 0.275277 0 604 63.546 0.00609403 -3.53851 63.546000 Cu 0.627198 0.257493 0.5 605 63.546 0.00499951 -3.53885 63.546000 Cu 0.662611 0.242057 1 607 63.546 0.00479717 -3.53851 63.546000 Cu 0.728887 0.245014 1.04707e-16 608 63.546 0.000850172 -3.53912 63.546000 Cu 0.698054 0.226813 0.5 609 63.546 0.00253996 -3.53914 63.546000 Cu 0.693538 0.26008 0.5 610 63.546 0.00370023 -3.53839 63.546000 Cu 0.764299 0.229981 0.5 614 63.546 7.4285e-05 -3.53974 63.546000 Cu 0.759773 0.263352 0.5 663 63.546 0.00036733 -3.53909 63.546000 Cu 0.795093 0.24827 9.89299e-17 665 63.546 0.00206642 -3.53956 63.546000 Cu 0.861325 0.251001 1.22278e-16 666 63.546 0.00493011 -3.54021 63.546000 Cu 0.830525 0.23306 0.5 667 63.546 0.00450433 -3.54017 63.546000 Cu 0.825923 0.266462 0.5 668 63.546 0.00537561 -3.5397 63.546000 Cu 0.896857 0.235376 0.5 672 63.546 0.00330421 -3.54002 63.546000 Cu 0.892178 0.268737 0.5 725 63.546 0.00350962 -3.54001 63.546000 Cu 0.927711 0.252917 1 727 63.546 0.00161902 -3.5396 63.546000 Cu 0.994223 0.254365 1.23e-16 728 63.546 7.3578e-05 -3.53916 63.546000 Cu 0.963322 0.237034 0.5 729 63.546 0.000772396 -3.53933 63.546000 Cu 0.9586 0.270327 0.5 730 63.546 0.000616497 -3.53954 63.546000 Cu 0.0561342 0.288934 1.22278e-16 778 63.546 0.00144022 -3.53921 63.546000 Cu 0.0205454 0.304874 0.5 780 63.546 0.000536728 -3.53902 63.546000 Cu 0.0516457 0.322086 1.37684e-16 819 63.546 0.00178433 -3.5389 63.546000 Cu 0.0871866 0.306264 0.5 821 63.546 0.00396551 -3.53909 63.546000 Cu 0.118328 0.323701 5.34366e-17 820 63.546 0.00902238 -3.53748 63.546000 Cu 0.12273 0.29066 1 823 63.546 0.00615577 -3.53889 63.546000 Cu 0.189203 0.293302 1.22038e-16 824 63.546 0.00580498 -3.53737 63.546000 Cu 0.153806 0.308389 0.5 826 63.546 0.00983413 -3.53666 63.546000 Cu 0.184967 0.326421 1.22038e-16 857 63.546 0.0127604 -3.53495 63.546000 Cu 0.220242 0.311668 0.5 859 63.546 0.00206118 -3.5381 63.546000 Cu 0.224514 0.278334 0.5 830 63.546 0.00105268 -3.53868 63.546000 Cu 0.251256 0.33031 1 858 63.546 0.00334455 -3.53903 63.546000 Cu 0.25544 0.296776 2.81385e-16 861 63.546 0.00104411 -3.53935 63.546000 Cu 0.321508 0.299975 1 862 63.546 0.00684023 -3.54 63.546000 Cu 0.290662 0.281699 0.5 863 63.546 0.00272299 -3.53943 63.546000 Cu 0.28633 0.315278 0.5 864 63.546 0.00574005 -3.54016 63.546000 Cu 0.387651 0.302215 1 549 63.546 0.00456973 -3.53918 63.546000 Cu 0.423063 0.286298 0.5 551 63.546 0.0020321 -3.53944 63.546000 Cu 0.418603 0.31974 0.5 552 63.546 0.00209693 -3.5393 63.546000 Cu 0.356801 0.284454 0.5 866 63.546 0.00610928 -3.53984 63.546000 Cu 0.352361 0.318025 0.5 887 63.546 0.00798168 -3.53976 63.546000 Cu 0.454004 0.303684 1 550 63.546 0.000878082 -3.53909 63.546000 Cu 0.489533 0.287648 0.5 556 63.546 0.00028593 -3.5393 63.546000 Cu 0.485053 0.32094 0.5 597 63.546 0.000274813 -3.53865 63.546000 Cu 0.520545 0.304874 1.22278e-16 599 63.546 0.000536728 -3.53902 63.546000 Cu 0.551646 0.322086 0.5 602 63.546 0.00178433 -3.5389 63.546000 Cu 0.556134 0.288934 0.5 601 63.546 0.00144022 -3.53921 63.546000 Cu 0.587187 0.306264 2.33484e-17 600 63.546 0.00396551 -3.53909 63.546000 Cu 0.62273 0.29066 0.5 606 63.546 0.00615577 -3.53889 63.546000 Cu 0.618328 0.323701 0.5 655 63.546 0.00902238 -3.53748 63.546000 Cu 0.653806 0.308389 3.99571e-17 657 63.546 0.00983413 -3.53666 63.546000 Cu 0.720242 0.311668 9.86892e-17 658 63.546 0.00206118 -3.5381 63.546000 Cu 0.689203 0.293302 0.5 659 63.546 0.00580498 -3.53737 63.546000 Cu 0.684967 0.326421 0.5 660 63.546 0.0127604 -3.53495 63.546000 Cu 0.724514 0.278334 3.99571e-17 661 63.546 0.00105268 -3.53868 63.546000 Cu 0.75544 0.296776 0.5 664 63.546 0.00104411 -3.53935 63.546000 Cu 0.751256 0.33031 0.5 717 63.546 0.00334455 -3.53903 63.546000 Cu 0.78633 0.315278 1.20353e-18 719 63.546 0.00574005 -3.54016 63.546000 Cu 0.790662 0.281699 3.34581e-17 662 63.546 0.00272299 -3.53943 63.546000 Cu 0.852361 0.318025 2.44797e-16 720 63.546 0.00798168 -3.53976 63.546000 Cu 0.821508 0.299975 0.5 721 63.546 0.00684023 -3.54 63.546000 Cu 0.856801 0.284454 1 723 63.546 0.00610928 -3.53984 63.546000 Cu 0.887651 0.302215 0.5 726 63.546 0.00456973 -3.53918 63.546000 Cu 0.923063 0.286298 1 724 63.546 0.0020321 -3.53944 63.546000 Cu 0.918603 0.31974 4.14013e-17 773 63.546 0.00209693 -3.5393 63.546000 Cu 0.985053 0.32094 6.11392e-17 774 63.546 0.000274813 -3.53865 63.546000 Cu 0.954004 0.303684 0.5 775 63.546 0.000878082 -3.53909 63.546000 Cu 0.989533 0.287648 2.35891e-17 777 63.546 0.00028593 -3.5393 63.546000 Cu 0.0472924 0.355193 1 816 63.546 0.00236207 -3.53893 63.546000 Cu 0.0161098 0.338098 0.5 817 63.546 0.000771812 -3.53845 63.546000 Cu 0.0118009 0.371326 0.5 818 63.546 0.000767393 -3.53968 63.546000 Cu 0.082803 0.339314 0.5 822 63.546 0.00502444 -3.53801 63.546000 Cu 0.0786073 0.372254 0.5 851 63.546 0.00689014 -3.53717 63.546000 Cu 0.0430622 0.388283 2.62369e-17 849 63.546 0.00199525 -3.53909 63.546000 Cu 0.114105 0.35661 7.22116e-17 853 63.546 0.0137498 -3.53502 63.546000 Cu 0.180983 0.359407 1 854 63.546 0.0334665 -3.52957 63.546000 Cu 0.149581 0.341348 0.5 855 63.546 0.0197671 -3.53399 63.546000 Cu 0.145573 0.374107 0.5 856 63.546 0.0464308 -3.52805 63.546000 Cu 0.216205 0.345027 0.5 860 63.546 0.00447315 -3.53691 63.546000 Cu 0.212422 0.378493 0.5 880 63.546 0.013876 -3.53568 63.546000 Cu 0.317232 0.333661 1 886 63.546 0.0110941 -3.54002 63.546000 Cu 0.247272 0.363997 1.14576e-16 882 63.546 0.00991671 -3.53686 63.546000 Cu 0.313023 0.367575 1 883 63.546 0.0204973 -3.5387 63.546000 Cu 0.282212 0.349043 0.5 884 63.546 0.0134071 -3.53936 63.546000 Cu 0.278196 0.383107 0.5 885 63.546 0.0328143 -3.53565 63.546000 Cu 0.343832 0.385687 0.5 410 63.546 0.0146853 -3.53636 63.546000 Cu 0.383311 0.335783 0 548 63.546 0.00498151 -3.53906 63.546000 Cu 0.378938 0.369477 1.45867e-16 591 63.546 0.00553043 -3.53732 63.546000 Cu 0.414202 0.353281 0.5 593 63.546 0.00258406 -3.53828 63.546000 Cu 0.409902 0.386896 0.5 594 63.546 0.00236116 -3.53693 63.546000 Cu 0.348071 0.35175 0.5 888 63.546 0.0104256 -3.53864 63.546000 Cu 0.445219 0.37056 2.44316e-16 592 63.546 0.00130274 -3.53858 63.546000 Cu 0.449621 0.337091 1 595 63.546 0.000957893 -3.53883 63.546000 Cu 0.51611 0.338098 1 596 63.546 0.000771812 -3.53845 63.546000 Cu 0.480633 0.354274 0.5 598 63.546 0.000570206 -3.53877 63.546000 Cu 0.476341 0.387644 0.5 647 63.546 0.000708725 -3.53873 63.546000 Cu 0.511801 0.371326 2.26022e-16 649 63.546 0.000767393 -3.53968 63.546000 Cu 0.547292 0.355193 0.5 651 63.546 0.00236207 -3.53893 63.546000 Cu 0.543062 0.388283 0.5 652 63.546 0.00199525 -3.53909 63.546000 Cu 0.578607 0.372254 0 650 63.546 0.00689014 -3.53717 63.546000 Cu 0.582803 0.339314 1 653 63.546 0.00502444 -3.53801 63.546000 Cu 0.649581 0.341348 1 654 63.546 0.0197671 -3.53399 63.546000 Cu 0.614105 0.35661 0.5 656 63.546 0.0137498 -3.53502 63.546000 Cu 0.645573 0.374107 1 711 63.546 0.0464308 -3.52805 63.546000 Cu 0.712422 0.378493 1 712 63.546 0.013876 -3.53568 63.546000 Cu 0.680983 0.359407 0.5 713 63.546 0.0334665 -3.52957 63.546000 Cu 0.716205 0.345027 1.27574e-17 715 63.546 0.00447315 -3.53691 63.546000 Cu 0.747272 0.363997 0.5 718 63.546 0.00991671 -3.53686 63.546000 Cu 0.817232 0.333661 0.5 722 63.546 0.0110941 -3.54002 63.546000 Cu 0.782212 0.349043 0 716 63.546 0.0134071 -3.53936 63.546000 Cu 0.778196 0.383107 0 765 63.546 0.0328143 -3.53565 63.546000 Cu 0.843832 0.385687 3.99571e-17 766 63.546 0.0146853 -3.53636 63.546000 Cu 0.813023 0.367575 0.5 767 63.546 0.0204973 -3.5387 63.546000 Cu 0.848071 0.35175 1 769 63.546 0.0104256 -3.53864 63.546000 Cu 0.883311 0.335783 0.5 771 63.546 0.00498151 -3.53906 63.546000 Cu 0.878938 0.369477 0.5 772 63.546 0.00553043 -3.53732 63.546000 Cu 0.914202 0.353281 0 770 63.546 0.00258406 -3.53828 63.546000 Cu 0.949621 0.337091 0.5 776 63.546 0.000957893 -3.53883 63.546000 Cu 0.909902 0.386896 2.81625e-17 811 63.546 0.00236116 -3.53693 63.546000 Cu 0.976341 0.387644 1 812 63.546 0.000708725 -3.53873 63.546000 Cu 0.945219 0.37056 0.5 813 63.546 0.00130274 -3.53858 63.546000 Cu 0.980633 0.354274 1.22278e-16 815 63.546 0.000570206 -3.53877 63.546000 Cu 0.0388132 0.421366 3.99571e-17 846 63.546 0.00430488 -3.53976 63.546000 Cu 0.109978 0.389347 1 850 63.546 0.0237716 -3.53362 63.546000 Cu 0.0743587 0.405141 0.5 852 63.546 0.00722948 -3.53796 63.546000 Cu 0.0703481 0.438039 0.5 872 63.546 0.0143992 -3.53927 63.546000 Cu 0.105678 0.421942 1 874 63.546 0.0352465 -3.535 63.546000 Cu 0.00753664 0.404563 0.5 847 63.546 0.00109242 -3.53885 63.546000 Cu 0.00373919 0.437818 0.5 848 63.546 0.0119634 -3.53953 63.546000 Cu 0.173532 0.42458 3.99571e-17 875 63.546 0.616907 -3.46765 63.546000 Cu 0.141648 0.406597 0.5 876 63.546 0.133815 -3.52111 63.546000 Cu 0.137289 0.438685 0.5 877 63.546 0.513701 -3.49713 63.546000 Cu 0.177212 0.392218 1 878 63.546 0.112075 -3.51694 63.546000 Cu 0.209112 0.412457 0.5 881 63.546 0.105382 -3.52338 63.546000 Cu 0.308898 0.401806 1 411 63.546 0.0383522 -3.53412 63.546000 Cu 0.274261 0.417653 0.5 453 63.546 0.0760338 -3.5245 63.546000 Cu 0.304475 0.43651 1 454 63.546 0.0806419 -3.52618 63.546000 Cu 0.243444 0.398004 1 879 63.546 0.0309161 -3.53061 63.546000 Cu 0.239344 0.432775 6.45091e-17 896 63.546 0.214863 -3.51372 63.546000 Cu 0.339609 0.419881 0.5 379 63.546 0.0205417 -3.5308 63.546000 Cu 0.37469 0.403317 1 590 63.546 0.00556107 -3.53518 63.546000 Cu 0.370682 0.437285 1 641 63.546 0.0124047 -3.53253 63.546000 Cu 0.437164 0.437623 1 642 63.546 0.0114582 -3.53735 63.546000 Cu 0.40573 0.420611 0.5 643 63.546 0.00431356 -3.5351 63.546000 Cu 0.440942 0.404076 3.99571e-17 645 63.546 0.00193394 -3.53689 63.546000 Cu 0.507537 0.404563 3.36988e-18 646 63.546 0.00109242 -3.53885 63.546000 Cu 0.472165 0.421026 0.5 648 63.546 0.00402334 -3.53766 63.546000 Cu 0.503739 0.437818 1 703 63.546 0.0119634 -3.53953 63.546000 Cu 0.538813 0.421366 0.5 705 63.546 0.00430488 -3.53976 63.546000 Cu 0.570348 0.438039 2.91254e-17 704 63.546 0.0143992 -3.53927 63.546000 Cu 0.574359 0.405141 1 707 63.546 0.00722948 -3.53796 63.546000 Cu 0.641648 0.406597 1.30462e-16 708 63.546 0.133815 -3.52111 63.546000 Cu 0.609978 0.389347 0.5 709 63.546 0.0237716 -3.53362 63.546000 Cu 0.605678 0.421942 0.5 710 63.546 0.0352465 -3.535 63.546000 Cu 0.637289 0.438685 1 757 63.546 0.513701 -3.49713 63.546000 Cu 0.673532 0.42458 0.5 759 63.546 0.616907 -3.46765 63.546000 Cu 0.677212 0.392218 0.5 714 63.546 0.112075 -3.51694 63.546000 Cu 0.709112 0.412457 1 761 63.546 0.105382 -3.52338 63.546000 Cu 0.774261 0.417653 1 762 63.546 0.0760338 -3.5245 63.546000 Cu 0.743444 0.398004 0.5 763 63.546 0.0309161 -3.53061 63.546000 Cu 0.739344 0.432775 0.5 764 63.546 0.214863 -3.51372 63.546000 Cu 0.808898 0.401806 0.5 768 63.546 0.0383522 -3.53412 63.546000 Cu 0.804475 0.43651 0.5 805 63.546 0.0806419 -3.52618 63.546000 Cu 0.839609 0.419881 1 807 63.546 0.0205417 -3.5308 63.546000 Cu 0.87469 0.403317 0.5 809 63.546 0.00556107 -3.53518 63.546000 Cu 0.870682 0.437285 0.5 810 63.546 0.0124047 -3.53253 63.546000 Cu 0.90573 0.420611 8.32841e-17 808 63.546 0.00431356 -3.5351 63.546000 Cu 0.940942 0.404076 0.5 814 63.546 0.00193394 -3.53689 63.546000 Cu 0.937164 0.437623 0.5 843 63.546 0.0114582 -3.53735 63.546000 Cu 0.972165 0.421026 1 845 63.546 0.00402334 -3.53766 63.546000 Cu 0.0365758 0.487657 2.67183e-17 868 63.546 0.0236133 -3.53784 63.546000 Cu 0.0357929 0.454503 1 870 63.546 0.0296909 -3.53769 63.546000 Cu 0.101934 0.454584 1 871 63.546 0.06503 -3.53221 63.546000 Cu 0.0688775 0.471044 0.5 873 63.546 0.0327262 -3.54055 63.546000 Cu 0.102756 0.487413 1 889 63.546 0.0580863 -3.53139 63.546000 Cu 0.0024772 0.471098 0.5 869 63.546 0.0286199 -3.54009 63.546000 Cu 0.1692 0.485931 3.99571e-17 890 63.546 7.54527 -3.27561 63.546000 Cu 0.13513 0.470955 0.5 891 63.546 3.19361 -3.47695 63.546000 Cu 0.168233 0.455719 1.22278e-16 892 63.546 5.95903 -3.26413 63.546000 Cu 0.2066 0.448111 0.5 894 63.546 5.91951 -3.45419 63.546000 Cu 0.207548 0.493869 0.5 895 63.546 5.86646 -3.45789 63.546000 Cu 0.301172 0.471009 3.99571e-17 33 63.546 0.212727 -3.51101 63.546000 Cu 0.27052 0.488499 0.5 94 63.546 0.346672 -3.49441 63.546000 Cu 0.269737 0.453396 0.5 450 63.546 0.324133 -3.495 63.546000 Cu 0.231906 0.47085 1 893 63.546 4.53913 -3.57249 63.546000 Cu 0.336816 0.4881 0.5 13 63.546 0.0303504 -3.5224 63.546000 Cu 0.336029 0.454115 0.5 14 63.546 0.038473 -3.52332 63.546000 Cu 0.368731 0.471125 3.94757e-17 640 63.546 0.0683366 -3.53933 63.546000 Cu 0.402683 0.454333 0.5 644 63.546 0.026927 -3.5372 63.546000 Cu 0.403473 0.487952 0.5 698 63.546 0.021044 -3.53619 63.546000 Cu 0.435761 0.471137 1 699 63.546 0.0366398 -3.54061 63.546000 Cu 0.502477 0.471098 2.26263e-17 700 63.546 0.0286199 -3.54009 63.546000 Cu 0.469325 0.454439 0.5 701 63.546 0.0247423 -3.53898 63.546000 Cu 0.470097 0.487817 0.5 702 63.546 0.0197064 -3.5383 63.546000 Cu 0.535793 0.454503 0.5 706 63.546 0.0296909 -3.53769 63.546000 Cu 0.536576 0.487657 0.5 752 63.546 0.0236133 -3.53784 63.546000 Cu 0.568878 0.471044 0 753 63.546 0.0327262 -3.54055 63.546000 Cu 0.63513 0.470955 1 754 63.546 3.19361 -3.47695 63.546000 Cu 0.601934 0.454584 0.5 755 63.546 0.06503 -3.53221 63.546000 Cu 0.602756 0.487413 0.5 756 63.546 0.0580863 -3.53139 63.546000 Cu 0.668233 0.455719 0.5 760 63.546 5.95903 -3.26413 63.546000 Cu 0.6692 0.485931 0.5 798 63.546 7.54527 -3.27561 63.546000 Cu 0.7066 0.448111 3.99571e-17 758 63.546 5.91951 -3.45419 63.546000 Cu 0.707548 0.493869 1 799 63.546 5.86646 -3.45789 63.546000 Cu 0.77052 0.488499 0 800 63.546 0.346672 -3.49441 63.546000 Cu 0.731906 0.47085 0.5 801 63.546 4.53913 -3.57249 63.546000 Cu 0.769737 0.453396 2.27948e-16 803 63.546 0.324133 -3.495 63.546000 Cu 0.836029 0.454115 4.5734e-17 804 63.546 0.038473 -3.52332 63.546000 Cu 0.801172 0.471009 0.5 806 63.546 0.212727 -3.51101 63.546000 Cu 0.836816 0.4881 1.68494e-18 837 63.546 0.0303504 -3.5224 63.546000 Cu 0.868731 0.471125 0.5 839 63.546 0.0683366 -3.53933 63.546000 Cu 0.903473 0.487952 2.44797e-16 838 63.546 0.021044 -3.53619 63.546000 Cu 0.902683 0.454333 1 841 63.546 0.026927 -3.5372 63.546000 Cu 0.969325 0.454439 1 842 63.546 0.0247423 -3.53898 63.546000 Cu 0.935761 0.471137 0.5 844 63.546 0.0366398 -3.54061 63.546000 Cu 0.970097 0.487817 1 867 63.546 0.0197064 -3.5383 63.546000 Cu 0.0407398 0.520809 1 58 63.546 0.00291958 -3.53928 63.546000 Cu 0.0717979 0.504051 0.5 59 63.546 0.0107328 -3.53852 63.546000 Cu 0.00515332 0.504397 0.5 60 63.546 0.0075051 -3.53905 63.546000 Cu 0.07662 0.536923 0.5 64 63.546 0.00793414 -3.53774 63.546000 Cu 0.00979642 0.537662 0.5 97 63.546 0.00100552 -3.53816 63.546000 Cu 0.0455537 0.553861 1 99 63.546 0.00258875 -3.53842 63.546000 Cu 0.107631 0.520021 1 61 63.546 0.0346144 -3.53409 63.546000 Cu 0.175397 0.517128 1 31 63.546 0.534043 -3.47434 63.546000 Cu 0.138781 0.50317 0.5 32 63.546 0.469579 -3.49597 63.546000 Cu 0.211135 0.529337 0.5 36 63.546 0.09976 -3.52571 63.546000 Cu 0.11246 0.552594 1.55977e-16 62 63.546 0.0234995 -3.53388 63.546000 Cu 0.143898 0.535243 0.5 63 63.546 0.125744 -3.52124 63.546000 Cu 0.179614 0.549531 8.54504e-17 65 63.546 0.0950302 -3.51778 63.546000 Cu 0.24098 0.509024 3.99571e-17 136 63.546 0.234322 -3.51604 63.546000 Cu 0.305938 0.505582 1 135 63.546 0.0739191 -3.52505 63.546000 Cu 0.245693 0.543824 2.09414e-17 34 63.546 0.0377726 -3.53259 63.546000 Cu 0.276149 0.524322 0.5 35 63.546 0.080995 -3.52688 63.546000 Cu 0.311076 0.540313 1 37 63.546 0.0350203 -3.53465 63.546000 Cu 0.376948 0.538946 1.56459e-17 15 63.546 0.00433728 -3.53479 63.546000 Cu 0.407663 0.521699 0.5 16 63.546 0.00193074 -3.53454 63.546000 Cu 0.341487 0.52236 0.5 17 63.546 0.0157816 -3.53035 63.546000 Cu 0.372138 0.504989 1 697 63.546 0.00672298 -3.5314 63.546000 Cu 0.438603 0.50467 1 3 63.546 0.00664943 -3.53629 63.546000 Cu 0.443235 0.538242 4.95853e-17 18 63.546 0.000858211 -3.53682 63.546000 Cu 0.412429 0.555399 0.5 21 63.546 0.00152744 -3.53679 63.546000 Cu 0.505153 0.504397 1 4 63.546 0.0075051 -3.53905 63.546000 Cu 0.509796 0.537662 1 5 63.546 0.00100552 -3.53816 63.546000 Cu 0.54074 0.520809 0.5 6 63.546 0.00291958 -3.53928 63.546000 Cu 0.4741 0.521254 0.5 7 63.546 0.00179786 -3.53721 63.546000 Cu 0.545554 0.553861 0.5 11 63.546 0.00258875 -3.53842 63.546000 Cu 0.478896 0.554644 0.5 20 63.546 0.000639476 -3.5382 63.546000 Cu 0.571798 0.504051 1 1 63.546 0.0107328 -3.53852 63.546000 Cu 0.607631 0.520021 0.5 2 63.546 0.0346144 -3.53409 63.546000 Cu 0.57662 0.536923 1 8 63.546 0.00793414 -3.53774 63.546000 Cu 0.61246 0.552594 0.5 10 63.546 0.0234995 -3.53388 63.546000 Cu 0.638781 0.50317 2.39261e-16 184 63.546 0.469579 -3.49597 63.546000 Cu 0.643898 0.535243 1 185 63.546 0.125744 -3.52124 63.546000 Cu 0.74098 0.509024 0.5 802 63.546 0.234322 -3.51604 63.546000 Cu 0.675397 0.517128 0.5 186 63.546 0.534043 -3.47434 63.546000 Cu 0.711135 0.529337 1 187 63.546 0.09976 -3.52571 63.546000 Cu 0.745693 0.543824 0.5 189 63.546 0.0377726 -3.53259 63.546000 Cu 0.679614 0.549531 0.5 190 63.546 0.0950302 -3.51778 63.546000 Cu 0.776149 0.524322 1 134 63.546 0.080995 -3.52688 63.546000 Cu 0.805938 0.505582 0.5 836 63.546 0.0739191 -3.52505 63.546000 Cu 0.841487 0.52236 7.22116e-19 137 63.546 0.0157816 -3.53035 63.546000 Cu 0.876948 0.538946 0.5 139 63.546 0.00433728 -3.53479 63.546000 Cu 0.811076 0.540313 0.5 140 63.546 0.0350203 -3.53465 63.546000 Cu 0.872138 0.504989 0.5 840 63.546 0.00672298 -3.5314 63.546000 Cu 0.907663 0.521699 1 92 63.546 0.00193074 -3.53454 63.546000 Cu 0.938603 0.50467 0.5 93 63.546 0.00664943 -3.53629 63.546000 Cu 0.9741 0.521254 1 95 63.546 0.00179786 -3.53721 63.546000 Cu 0.978896 0.554644 2.59962e-17 96 63.546 0.000639476 -3.5382 63.546000 Cu 0.943235 0.538242 0.5 98 63.546 0.000858211 -3.53682 63.546000 Cu 0.912429 0.555399 1.94971e-17 141 63.546 0.00152744 -3.53679 63.546000 Cu 0.0500829 0.586929 1 100 63.546 0.00281706 -3.5387 63.546000 Cu 0.0812435 0.569782 0.5 101 63.546 0.00730095 -3.53706 63.546000 Cu 0.0145133 0.570878 0.5 102 63.546 0.000966767 -3.53897 63.546000 Cu 0.0855873 0.602715 0.5 106 63.546 0.00527496 -3.53776 63.546000 Cu 0.018945 0.604084 0.5 147 63.546 0.00101781 -3.5395 63.546000 Cu 0.183611 0.582358 8.93017e-17 66 63.546 0.0261154 -3.53021 63.546000 Cu 0.148157 0.567735 0.5 68 63.546 0.0427219 -3.52839 63.546000 Cu 0.116799 0.585326 1 103 63.546 0.0133735 -3.535 63.546000 Cu 0.152287 0.600502 0.5 105 63.546 0.01759 -3.53388 63.546000 Cu 0.214906 0.563274 0.5 67 63.546 0.0137433 -3.53618 63.546000 Cu 0.218854 0.596756 0.5 72 63.546 0.0036485 -3.53751 63.546000 Cu 0.31558 0.574468 1 38 63.546 0.0193851 -3.53885 63.546000 Cu 0.280567 0.558871 0.5 40 63.546 0.0318176 -3.53653 63.546000 Cu 0.249821 0.577837 0 69 63.546 0.0117009 -3.53809 63.546000 Cu 0.284859 0.592864 0.5 71 63.546 0.013928 -3.5396 63.546000 Cu 0.319921 0.608286 6.90825e-17 73 63.546 0.011515 -3.54012 63.546000 Cu 0.346271 0.556492 0.5 39 63.546 0.0130571 -3.53668 63.546000 Cu 0.381611 0.572726 1 41 63.546 0.00459494 -3.53745 63.546000 Cu 0.386 0.606329 9.62822e-18 42 63.546 0.00469042 -3.53898 63.546000 Cu 0.41699 0.588951 0.5 43 63.546 0.00144415 -3.53819 63.546000 Cu 0.350751 0.590323 0.5 44 63.546 0.0102978 -3.53874 63.546000 Cu 0.447946 0.571731 1 19 63.546 0.000668612 -3.53823 63.546000 Cu 0.514513 0.570878 2.86439e-17 22 63.546 0.000966767 -3.53897 63.546000 Cu 0.518945 0.604084 1 23 63.546 0.00101781 -3.5395 63.546000 Cu 0.483466 0.587967 0.5 25 63.546 0.000396031 -3.53909 63.546000 Cu 0.452385 0.605135 0 45 63.546 0.000387702 -3.53893 63.546000 Cu 0.550083 0.586929 0.5 24 63.546 0.00281706 -3.5387 63.546000 Cu 0.581243 0.569782 1 9 63.546 0.00730095 -3.53706 63.546000 Cu 0.616799 0.585326 0.5 12 63.546 0.0133735 -3.535 63.546000 Cu 0.585587 0.602715 1.0591e-16 26 63.546 0.00527496 -3.53776 63.546000 Cu 0.648157 0.567735 1 242 63.546 0.0427219 -3.52839 63.546000 Cu 0.652287 0.600502 1 243 63.546 0.01759 -3.53388 63.546000 Cu 0.714906 0.563274 2.26263e-17 188 63.546 0.0137433 -3.53618 63.546000 Cu 0.749821 0.577837 0.5 194 63.546 0.0117009 -3.53809 63.546000 Cu 0.683611 0.582358 0.5 244 63.546 0.0261154 -3.53021 63.546000 Cu 0.718854 0.596756 3.99571e-17 245 63.546 0.0036485 -3.53751 63.546000 Cu 0.846271 0.556492 1 138 63.546 0.0130571 -3.53668 63.546000 Cu 0.780567 0.558871 1 191 63.546 0.0318176 -3.53653 63.546000 Cu 0.784859 0.592864 3.99571e-17 192 63.546 0.013928 -3.5396 63.546000 Cu 0.81558 0.574468 0.5 193 63.546 0.0193851 -3.53885 63.546000 Cu 0.850751 0.590323 1 195 63.546 0.0102978 -3.53874 63.546000 Cu 0.819921 0.608286 0.5 198 63.546 0.011515 -3.54012 63.546000 Cu 0.881611 0.572726 0.5 144 63.546 0.00459494 -3.53745 63.546000 Cu 0.886 0.606329 0.5 197 63.546 0.00469042 -3.53898 63.546000 Cu 0.91699 0.588951 1.21797e-16 142 63.546 0.00144415 -3.53819 63.546000 Cu 0.947946 0.571731 0.5 143 63.546 0.000668612 -3.53823 63.546000 Cu 0.983466 0.587967 1 145 63.546 0.000396031 -3.53909 63.546000 Cu 0.952385 0.605135 0.5 148 63.546 0.000387702 -3.53893 63.546000 Cu 0.0544038 0.620021 1 149 63.546 0.00250713 -3.53946 63.546000 Cu 0.0587345 0.653147 1.32388e-17 150 63.546 0.00238578 -3.53954 63.546000 Cu 0.0898545 0.63574 0.5 151 63.546 0.00426514 -3.53891 63.546000 Cu 0.0232386 0.637276 0.5 152 63.546 0.00104918 -3.53952 63.546000 Cu 0.121033 0.618224 1 104 63.546 0.00860143 -3.53711 63.546000 Cu 0.187651 0.61534 2.51778e-16 107 63.546 0.00869457 -3.53488 63.546000 Cu 0.191787 0.648427 6.64347e-17 108 63.546 0.00352936 -3.53713 63.546000 Cu 0.156447 0.63344 0.5 110 63.546 0.00864338 -3.5366 63.546000 Cu 0.125307 0.651232 2.44797e-16 153 63.546 0.0056756 -3.53892 63.546000 Cu 0.160677 0.66652 0.5 155 63.546 0.00568921 -3.53852 63.546000 Cu 0.253937 0.611487 0 70 63.546 0.00425688 -3.53949 63.546000 Cu 0.324149 0.641922 3.99571e-17 74 63.546 0.0069272 -3.54033 63.546000 Cu 0.289028 0.626561 0.5 76 63.546 0.00671524 -3.54041 63.546000 Cu 0.222902 0.630075 0.5 109 63.546 0.00130838 -3.53809 63.546000 Cu 0.258059 0.644968 3.99571e-17 111 63.546 0.0016599 -3.53891 63.546000 Cu 0.293189 0.660073 0.5 113 63.546 0.00392414 -3.53945 63.546000 Cu 0.227041 0.663346 0.5 114 63.546 0.000533503 -3.53831 63.546000 Cu 0.421311 0.622397 0.5 48 63.546 0.00174237 -3.53855 63.546000 Cu 0.355084 0.623995 0.5 75 63.546 0.00677029 -3.54005 63.546000 Cu 0.390319 0.639841 1.90157e-17 77 63.546 0.0037989 -3.53944 63.546000 Cu 0.425656 0.655772 0.5 79 63.546 0.00180698 -3.53933 63.546000 Cu 0.359349 0.657519 0.5 80 63.546 0.00475544 -3.54018 63.546000 Cu 0.456692 0.638464 1 46 63.546 0.000409815 -3.53859 63.546000 Cu 0.48779 0.621249 0.5 47 63.546 0.000205353 -3.53922 63.546000 Cu 0.523239 0.637276 6.78789e-17 49 63.546 0.00104918 -3.53952 63.546000 Cu 0.492139 0.654495 0.5 52 63.546 0.000128791 -3.53904 63.546000 Cu 0.554404 0.620021 0.5 29 63.546 0.00250713 -3.53946 63.546000 Cu 0.589854 0.63574 1 27 63.546 0.00426514 -3.53891 63.546000 Cu 0.621033 0.618224 0.5 28 63.546 0.00860143 -3.53711 63.546000 Cu 0.625307 0.651232 0.5 30 63.546 0.0056756 -3.53892 63.546000 Cu 0.558734 0.653147 0.5 51 63.546 0.00238578 -3.53954 63.546000 Cu 0.656447 0.63344 1 296 63.546 0.00864338 -3.5366 63.546000 Cu 0.660677 0.66652 1 297 63.546 0.00568921 -3.53852 63.546000 Cu 0.722902 0.630075 2.88847e-18 246 63.546 0.00130838 -3.53809 63.546000 Cu 0.753937 0.611487 0.5 247 63.546 0.00425688 -3.53949 63.546000 Cu 0.687651 0.61534 0.5 248 63.546 0.00869457 -3.53488 63.546000 Cu 0.758059 0.644968 0.5 252 63.546 0.0016599 -3.53891 63.546000 Cu 0.691787 0.648427 0.5 298 63.546 0.00352936 -3.53713 63.546000 Cu 0.727041 0.663346 1 299 63.546 0.000533503 -3.53831 63.546000 Cu 0.855084 0.623995 1 196 63.546 0.00677029 -3.54005 63.546000 Cu 0.789028 0.626561 1.22278e-16 249 63.546 0.00671524 -3.54041 63.546000 Cu 0.793189 0.660073 2.74404e-17 250 63.546 0.00392414 -3.53945 63.546000 Cu 0.824149 0.641922 0.5 251 63.546 0.0069272 -3.54033 63.546000 Cu 0.859349 0.657519 3.99571e-17 253 63.546 0.00475544 -3.54018 63.546000 Cu 0.992139 0.654495 3.99571e-17 203 63.546 0.000128791 -3.53904 63.546000 Cu 0.98779 0.621249 1 146 63.546 0.000205353 -3.53922 63.546000 Cu 0.921311 0.622397 1 199 63.546 0.00174237 -3.53855 63.546000 Cu 0.925656 0.655772 1 200 63.546 0.00180698 -3.53933 63.546000 Cu 0.956692 0.638464 0.5 201 63.546 0.000409815 -3.53859 63.546000 Cu 0.890319 0.639841 0.5 202 63.546 0.0037989 -3.53944 63.546000 Cu 0.0941703 0.668844 0.5 156 63.546 0.0037243 -3.53987 63.546000 Cu 0.0275998 0.670454 0.5 205 63.546 0.000742437 -3.53939 63.546000 Cu 0.0630226 0.686306 1.72345e-16 207 63.546 0.00195924 -3.53932 63.546000 Cu 0.0672589 0.719529 3.9235e-17 208 63.546 0.00168432 -3.53937 63.546000 Cu 0.0983646 0.702023 0.5 209 63.546 0.00322813 -3.53902 63.546000 Cu 0.0319133 0.703668 0.5 210 63.546 0.000687227 -3.5394 63.546000 Cu 0.000783482 0.72098 1.22278e-16 261 63.546 9.74809e-05 -3.53952 63.546000 Cu 0.129503 0.684369 1.26852e-16 154 63.546 0.00496733 -3.53922 63.546000 Cu 0.19588 0.68161 8.0877e-17 157 63.546 0.0018827 -3.53829 63.546000 Cu 0.199897 0.714875 1 158 63.546 0.00164739 -3.53927 63.546000 Cu 0.164709 0.699708 0.5 160 63.546 0.00433784 -3.53872 63.546000 Cu 0.133621 0.717597 1 211 63.546 0.00457822 -3.5392 63.546000 Cu 0.262168 0.678358 1 112 63.546 0.000792484 -3.53916 63.546000 Cu 0.297277 0.693491 0.5 118 63.546 0.00246547 -3.53977 63.546000 Cu 0.231013 0.69664 0.5 159 63.546 0.000127084 -3.53928 63.546000 Cu 0.266193 0.711697 1.22278e-16 161 63.546 0.000466428 -3.53979 63.546000 Cu 0.328322 0.675402 1.22278e-16 115 63.546 0.0049796 -3.53994 63.546000 Cu 0.332501 0.708761 1 116 63.546 0.00422366 -3.53985 63.546000 Cu 0.3946 0.673264 1.22278e-16 78 63.546 0.00284905 -3.5401 63.546000 Cu 0.429966 0.689091 0.5 84 63.546 0.00168088 -3.54 63.546000 Cu 0.36355 0.690914 0.5 117 63.546 0.00423763 -3.54018 63.546000 Cu 0.398893 0.706582 1 119 63.546 0.00258639 -3.54021 63.546000 Cu 0.5276 0.670454 3.99571e-17 50 63.546 0.000742437 -3.53939 63.546000 Cu 0.461047 0.671752 1 81 63.546 0.000379472 -3.5393 63.546000 Cu 0.465389 0.705011 6.6194e-17 82 63.546 0.000417001 -3.53977 63.546000 Cu 0.496489 0.687729 0.5 83 63.546 4.72484e-05 -3.53954 63.546000 Cu 0.531913 0.703668 8.42469e-17 85 63.546 0.000687227 -3.5394 63.546000 Cu 0.500783 0.72098 0.5 88 63.546 9.74809e-05 -3.53952 63.546000 Cu 0.59417 0.668844 1 53 63.546 0.0037243 -3.53987 63.546000 Cu 0.598365 0.702023 3.99571e-17 54 63.546 0.00322813 -3.53902 63.546000 Cu 0.629503 0.684369 0.5 55 63.546 0.00496733 -3.53922 63.546000 Cu 0.563023 0.686306 0.5 56 63.546 0.00195924 -3.53932 63.546000 Cu 0.633621 0.717597 0.5 57 63.546 0.00457822 -3.5392 63.546000 Cu 0.567259 0.719529 0.5 87 63.546 0.00168432 -3.53937 63.546000 Cu 0.664709 0.699708 3.99571e-17 342 63.546 0.00433784 -3.53872 63.546000 Cu 0.731013 0.69664 1 300 63.546 0.000127084 -3.53928 63.546000 Cu 0.762168 0.678358 0.5 301 63.546 0.000792484 -3.53916 63.546000 Cu 0.69588 0.68161 0.5 302 63.546 0.0018827 -3.53829 63.546000 Cu 0.766193 0.711697 0.5 306 63.546 0.000466428 -3.53979 63.546000 Cu 0.699897 0.714875 0.5 344 63.546 0.00164739 -3.53927 63.546000 Cu 0.86355 0.690914 1 254 63.546 0.00423763 -3.54018 63.546000 Cu 0.828322 0.675402 0.5 256 63.546 0.0049796 -3.53994 63.546000 Cu 0.797277 0.693491 1 303 63.546 0.00246547 -3.53977 63.546000 Cu 0.832501 0.708761 0.5 305 63.546 0.00422366 -3.53985 63.546000 Cu 0.996489 0.687729 5.31959e-17 204 63.546 4.72484e-05 -3.53954 63.546000 Cu 0.961047 0.671752 0.5 206 63.546 0.000379472 -3.5393 63.546000 Cu 0.8946 0.673264 0.5 255 63.546 0.00284905 -3.5401 63.546000 Cu 0.929966 0.689091 1.22038e-16 257 63.546 0.00168088 -3.54 63.546000 Cu 0.965389 0.705011 0.5 259 63.546 0.000417001 -3.53977 63.546000 Cu 0.898893 0.706582 0.5 260 63.546 0.00258639 -3.54021 63.546000 Cu 0.00493978 0.754219 3.99571e-17 262 63.546 5.86552e-05 -3.53937 63.546000 Cu 0.0361339 0.736921 0.5 263 63.546 0.000705118 -3.53954 63.546000 Cu 0.0714597 0.752802 1.73549e-16 265 63.546 0.00166532 -3.53997 63.546000 Cu 0.0402847 0.770176 0.5 268 63.546 0.000598558 -3.53968 63.546000 Cu 0.102593 0.735288 0.5 214 63.546 0.00327167 -3.53979 63.546000 Cu 0.106741 0.768616 0.5 267 63.546 0.00370586 -3.54024 63.546000 Cu 0.137854 0.75091 3.99571e-17 212 63.546 0.00509743 -3.54004 63.546000 Cu 0.16889 0.732997 0.5 213 63.546 0.00456077 -3.53959 63.546000 Cu 0.204132 0.748187 1.70901e-17 215 63.546 0.00181248 -3.53953 63.546000 Cu 0.173041 0.766348 0.5 218 63.546 0.0049062 -3.54007 63.546000 Cu 0.270368 0.744978 1 162 63.546 0.000588439 -3.53886 63.546000 Cu 0.301466 0.726793 0.5 163 63.546 0.0023201 -3.53923 63.546000 Cu 0.235151 0.729938 0.5 164 63.546 6.84996e-05 -3.53944 63.546000 Cu 0.305507 0.760033 0.5 168 63.546 0.0029927 -3.53823 63.546000 Cu 0.23925 0.76327 0.5 217 63.546 0.000293281 -3.53905 63.546000 Cu 0.403102 0.739814 1 120 63.546 0.00299402 -3.5394 63.546000 Cu 0.434272 0.72236 0.5 121 63.546 0.00163462 -3.53968 63.546000 Cu 0.367805 0.7242 0.5 122 63.546 0.00425851 -3.53948 63.546000 Cu 0.336692 0.742011 1 165 63.546 0.00451476 -3.53869 63.546000 Cu 0.340689 0.775198 0 166 63.546 0.00564674 -3.5386 63.546000 Cu 0.371888 0.75741 0.5 167 63.546 0.00454639 -3.53922 63.546000 Cu 0.407161 0.772989 0 169 63.546 0.00348348 -3.53924 63.546000 Cu 0.438384 0.755576 0.5 126 63.546 0.00166987 -3.53953 63.546000 Cu 0.536134 0.736921 3.99571e-17 86 63.546 0.000705118 -3.53954 63.546000 Cu 0.469608 0.738257 1 123 63.546 0.000398645 -3.53936 63.546000 Cu 0.473713 0.771466 1 124 63.546 0.000453383 -3.53947 63.546000 Cu 0.50494 0.754219 0.5 125 63.546 5.86552e-05 -3.53937 63.546000 Cu 0.540285 0.770176 1 127 63.546 0.000598558 -3.53968 63.546000 Cu 0.602593 0.735288 1 89 63.546 0.00327167 -3.53979 63.546000 Cu 0.606741 0.768616 1 90 63.546 0.00370586 -3.54024 63.546000 Cu 0.57146 0.752802 0.5 91 63.546 0.00166532 -3.53997 63.546000 Cu 0.637854 0.75091 0.5 380 63.546 0.00509743 -3.54004 63.546000 Cu 0.66889 0.732997 2.6959e-17 343 63.546 0.00456077 -3.53959 63.546000 Cu 0.735151 0.729938 1 345 63.546 6.84996e-05 -3.53944 63.546000 Cu 0.73925 0.76327 1 346 63.546 0.000293281 -3.53905 63.546000 Cu 0.704132 0.748187 0.5 348 63.546 0.00181248 -3.53953 63.546000 Cu 0.673041 0.766348 0 381 63.546 0.0049062 -3.54007 63.546000 Cu 0.770368 0.744978 0.5 347 63.546 0.000588439 -3.53886 63.546000 Cu 0.801466 0.726793 0 304 63.546 0.0023201 -3.53923 63.546000 Cu 0.867805 0.7242 1 307 63.546 0.00425851 -3.53948 63.546000 Cu 0.871888 0.75741 3.99571e-17 308 63.546 0.00454639 -3.53922 63.546000 Cu 0.836692 0.742011 0.5 310 63.546 0.00451476 -3.53869 63.546000 Cu 0.805507 0.760033 3.99571e-17 349 63.546 0.0029927 -3.53823 63.546000 Cu 0.840689 0.775198 0.5 351 63.546 0.00564674 -3.5386 63.546000 Cu 0.934272 0.72236 0 258 63.546 0.00163462 -3.53968 63.546000 Cu 0.969608 0.738257 0.5 264 63.546 0.000398645 -3.53936 63.546000 Cu 0.903102 0.739814 0.5 309 63.546 0.00299402 -3.5394 63.546000 Cu 0.938384 0.755576 1 311 63.546 0.00166987 -3.53953 63.546000 Cu 0.973713 0.771466 0.5 313 63.546 0.000453383 -3.53947 63.546000 Cu 0.907161 0.772989 0.5 314 63.546 0.00348348 -3.53924 63.546000 Cu 0.0755918 0.786123 1 266 63.546 0.00186595 -3.5398 63.546000 Cu 0.00907311 0.787447 3.99571e-17 315 63.546 0.000184904 -3.53946 63.546000 Cu 0.0134439 0.8207 3.99571e-17 316 63.546 0.000301996 -3.53891 63.546000 Cu 0.0444835 0.803472 0.5 317 63.546 0.000807211 -3.53926 63.546000 Cu 0.0799074 0.819503 1 319 63.546 0.00207204 -3.539 63.546000 Cu 0.110895 0.80202 0.5 272 63.546 0.00439291 -3.53978 63.546000 Cu 0.208161 0.781593 9.33937e-17 216 63.546 0.00273472 -3.54001 63.546000 Cu 0.141952 0.784306 7.99142e-17 269 63.546 0.0059941 -3.54033 63.546000 Cu 0.146197 0.817803 1.22278e-16 270 63.546 0.00722734 -3.53999 63.546000 Cu 0.177139 0.799813 0.5 271 63.546 0.00644339 -3.54028 63.546000 Cu 0.212254 0.815126 1 273 63.546 0.00609589 -3.53995 63.546000 Cu 0.274333 0.778273 1.59106e-16 219 63.546 0.000783885 -3.53834 63.546000 Cu 0.278367 0.811572 1 220 63.546 0.00165314 -3.53811 63.546000 Cu 0.309491 0.793228 0.5 221 63.546 0.00501281 -3.53736 63.546000 Cu 0.243245 0.796674 0.5 222 63.546 0.00110917 -3.53928 63.546000 Cu 0.313654 0.826334 0.5 226 63.546 0.0102464 -3.53523 63.546000 Cu 0.24739 0.830154 0.5 275 63.546 0.00328928 -3.53932 63.546000 Cu 0.411337 0.806092 1 170 63.546 0.00454764 -3.53845 63.546000 Cu 0.375965 0.790551 0.5 172 63.546 0.00546753 -3.53848 63.546000 Cu 0.34478 0.80829 1.22278e-16 223 63.546 0.00896205 -3.53688 63.546000 Cu 0.380239 0.82357 0.5 225 63.546 0.00821514 -3.5369 63.546000 Cu 0.442492 0.788745 0.5 171 63.546 0.00200711 -3.53913 63.546000 Cu 0.544484 0.803472 1.35999e-16 128 63.546 0.000807211 -3.53926 63.546000 Cu 0.509073 0.787447 0.5 130 63.546 0.000184904 -3.53946 63.546000 Cu 0.477927 0.804656 1 173 63.546 0.000787785 -3.53935 63.546000 Cu 0.513444 0.8207 0.5 175 63.546 0.000301996 -3.53891 63.546000 Cu 0.446855 0.821875 0.5 176 63.546 0.00220539 -3.53908 63.546000 Cu 0.575592 0.786123 0.5 129 63.546 0.00186595 -3.5398 63.546000 Cu 0.610895 0.80202 1 131 63.546 0.00439291 -3.53978 63.546000 Cu 0.579907 0.819503 0.5 133 63.546 0.00207204 -3.539 63.546000 Cu 0.641952 0.784306 0.5 384 63.546 0.0059941 -3.54033 63.546000 Cu 0.646197 0.817803 0.5 412 63.546 0.00722734 -3.53999 63.546000 Cu 0.677139 0.799813 1 382 63.546 0.00644339 -3.54028 63.546000 Cu 0.708161 0.781593 0.5 383 63.546 0.00273472 -3.54001 63.546000 Cu 0.743245 0.796674 1.22278e-16 385 63.546 0.00110917 -3.53928 63.546000 Cu 0.74739 0.830154 1 386 63.546 0.00328928 -3.53932 63.546000 Cu 0.712254 0.815126 0.5 388 63.546 0.00609589 -3.53995 63.546000 Cu 0.774333 0.778273 0.5 352 63.546 0.000783885 -3.53834 63.546000 Cu 0.809491 0.793228 3.99571e-17 350 63.546 0.00501281 -3.53736 63.546000 Cu 0.875965 0.790551 4.3327e-18 353 63.546 0.00546753 -3.53848 63.546000 Cu 0.84478 0.80829 0.5 356 63.546 0.00896205 -3.53688 63.546000 Cu 0.778367 0.811572 0.5 387 63.546 0.00165314 -3.53811 63.546000 Cu 0.813654 0.826334 1 389 63.546 0.0102464 -3.53523 63.546000 Cu 0.880239 0.82357 1.31666e-16 354 63.546 0.00821514 -3.5369 63.546000 Cu 0.942492 0.788745 3.99571e-17 312 63.546 0.00200711 -3.53913 63.546000 Cu 0.977927 0.804656 0.5 318 63.546 0.000787785 -3.53935 63.546000 Cu 0.911337 0.806092 0.5 355 63.546 0.00454764 -3.53845 63.546000 Cu 0.946855 0.821875 1.23482e-16 357 63.546 0.00220539 -3.53908 63.546000 Cu 0.0845306 0.852982 0 320 63.546 0.00217341 -3.53812 63.546000 Cu 0.0489994 0.836821 0.5 322 63.546 0.000829547 -3.53848 63.546000 Cu 0.0180971 0.853992 1 361 63.546 0.000362783 -3.53842 63.546000 Cu 0.0227116 0.887326 2.40705e-18 362 63.546 0.000729601 -3.53844 63.546000 Cu 0.0536888 0.870239 0.5 363 63.546 0.00110932 -3.53781 63.546000 Cu 0.089158 0.886553 4.5734e-17 365 63.546 0.00249339 -3.53668 63.546000 Cu 0.18144 0.83343 0.5 276 63.546 0.0103111 -3.53999 63.546000 Cu 0.115335 0.835518 0.5 321 63.546 0.00470191 -3.53926 63.546000 Cu 0.150721 0.851466 1 323 63.546 0.00967988 -3.53899 63.546000 Cu 0.155236 0.885322 1 324 63.546 0.0126672 -3.53632 63.546000 Cu 0.185946 0.867271 0.5 325 63.546 0.0187259 -3.5386 63.546000 Cu 0.119983 0.86915 0.5 326 63.546 0.00514162 -3.53724 63.546000 Cu 0.216603 0.848819 1 274 63.546 0.0129325 -3.5396 63.546000 Cu 0.220912 0.882817 1 327 63.546 0.0306938 -3.53619 63.546000 Cu 0.282581 0.844889 0 277 63.546 0.00379847 -3.5379 63.546000 Cu 0.286633 0.878343 1.23723e-16 278 63.546 0.0139694 -3.53643 63.546000 Cu 0.317906 0.859312 0.5 279 63.546 0.0278631 -3.52994 63.546000 Cu 0.251687 0.863796 0.5 280 63.546 0.00956976 -3.53771 63.546000 Cu 0.349111 0.841232 2.44316e-16 224 63.546 0.0176844 -3.53371 63.546000 Cu 0.415806 0.839119 0 227 63.546 0.00549047 -3.53788 63.546000 Cu 0.42036 0.872063 3.99571e-17 228 63.546 0.00674744 -3.5376 63.546000 Cu 0.384708 0.85645 0.5 230 63.546 0.0138315 -3.53511 63.546000 Cu 0.353419 0.873985 6.45091e-17 281 63.546 0.0429525 -3.52801 63.546000 Cu 0.482471 0.837856 3.58651e-17 174 63.546 0.000660992 -3.53883 63.546000 Cu 0.518097 0.853992 0.5 180 63.546 0.000362783 -3.53842 63.546000 Cu 0.451471 0.854967 0.5 229 63.546 0.00232035 -3.5388 63.546000 Cu 0.48712 0.871061 1.39128e-16 231 63.546 0.000778757 -3.53896 63.546000 Cu 0.522712 0.887326 0.5 233 63.546 0.000729601 -3.53844 63.546000 Cu 0.548999 0.836821 1 177 63.546 0.000829547 -3.53848 63.546000 Cu 0.553689 0.870239 1 178 63.546 0.00110932 -3.53781 63.546000 Cu 0.456019 0.888043 0.5 234 63.546 0.0020807 -3.53891 63.546000 Cu 0.615335 0.835518 1 132 63.546 0.00470191 -3.53926 63.546000 Cu 0.584531 0.852982 0.5 179 63.546 0.00217341 -3.53812 63.546000 Cu 0.619983 0.86915 0 181 63.546 0.00514162 -3.53724 63.546000 Cu 0.589158 0.886553 0.5 183 63.546 0.00249339 -3.53668 63.546000 Cu 0.650721 0.851466 0.5 416 63.546 0.00967988 -3.53899 63.546000 Cu 0.655236 0.885322 0.5 434 63.546 0.0126672 -3.53632 63.546000 Cu 0.68144 0.83343 7.22116e-19 413 63.546 0.0103111 -3.53999 63.546000 Cu 0.685946 0.867271 1 414 63.546 0.0187259 -3.5386 63.546000 Cu 0.716603 0.848819 0.5 415 63.546 0.0129325 -3.5396 63.546000 Cu 0.751687 0.863796 1 417 63.546 0.00956976 -3.53771 63.546000 Cu 0.720912 0.882817 0.5 420 63.546 0.0306938 -3.53619 63.546000 Cu 0.817906 0.859312 2.40705e-19 390 63.546 0.0278631 -3.52994 63.546000 Cu 0.849111 0.841232 0.5 391 63.546 0.0176844 -3.53371 63.546000 Cu 0.782581 0.844889 0.5 392 63.546 0.00379847 -3.5379 63.546000 Cu 0.853419 0.873985 0.5 396 63.546 0.0429525 -3.52801 63.546000 Cu 0.786633 0.878343 0.5 419 63.546 0.0139694 -3.53643 63.546000 Cu 0.884708 0.85645 3.87536e-17 393 63.546 0.0138315 -3.53511 63.546000 Cu 0.951471 0.854967 3.99571e-17 358 63.546 0.00232035 -3.5388 63.546000 Cu 0.982471 0.837856 0.5 359 63.546 0.000660992 -3.53883 63.546000 Cu 0.915806 0.839119 0.5 360 63.546 0.00549047 -3.53788 63.546000 Cu 0.98712 0.871061 0.5 364 63.546 0.000778757 -3.53896 63.546000 Cu 0.92036 0.872063 0.5 395 63.546 0.00674744 -3.5376 63.546000 Cu 0.956019 0.888043 1.13372e-16 397 63.546 0.0020807 -3.53891 63.546000 Cu 0.0935254 0.920243 2.33484e-17 366 63.546 0.00312782 -3.53501 63.546000 Cu 0.0581813 0.903722 0.5 368 63.546 0.00132632 -3.5372 63.546000 Cu 0.0270625 0.920717 0 401 63.546 0.00299991 -3.53802 63.546000 Cu 0.0622272 0.937276 0.5 403 63.546 0.00922265 -3.5372 63.546000 Cu 0.190304 0.901452 0.5 330 63.546 0.0347654 -3.53493 63.546000 Cu 0.12449 0.902957 0.5 367 63.546 0.00568951 -3.5352 63.546000 Cu 0.159683 0.919509 0 369 63.546 0.0186751 -3.53078 63.546000 Cu 0.19499 0.936221 0.5 371 63.546 0.0814478 -3.52572 63.546000 Cu 0.128761 0.936905 0.5 372 63.546 0.0102143 -3.53163 63.546000 Cu 0.321925 0.892095 0.5 284 63.546 0.104436 -3.51735 63.546000 Cu 0.225009 0.917379 4.38084e-17 328 63.546 0.0771879 -3.52531 63.546000 Cu 0.255749 0.897787 0.5 329 63.546 0.0325622 -3.53161 63.546000 Cu 0.290108 0.91229 3.99571e-17 331 63.546 0.105267 -3.52485 63.546000 Cu 0.259996 0.932589 0.5 334 63.546 0.222651 -3.51437 63.546000 Cu 0.325747 0.924475 0.5 333 63.546 0.584525 -3.46958 63.546000 Cu 0.357525 0.906458 3.99571e-17 282 63.546 0.129237 -3.52115 63.546000 Cu 0.389128 0.889181 0.5 283 63.546 0.0235251 -3.53379 63.546000 Cu 0.424795 0.904949 3.99571e-17 285 63.546 0.00665243 -3.53773 63.546000 Cu 0.429007 0.937835 1.22278e-16 286 63.546 0.012324 -3.53893 63.546000 Cu 0.393547 0.921765 0.5 288 63.546 0.034749 -3.5343 63.546000 Cu 0.362072 0.938544 3.99571e-17 335 63.546 0.497366 -3.49612 63.546000 Cu 0.491597 0.904284 3.5143e-17 232 63.546 0.00108719 -3.53907 63.546000 Cu 0.527063 0.920717 0.5 238 63.546 0.00299991 -3.53802 63.546000 Cu 0.460392 0.921122 0.5 287 63.546 0.00318066 -3.53969 63.546000 Cu 0.495639 0.937544 1.22278e-16 289 63.546 0.00981123 -3.53969 63.546000 Cu 0.62449 0.902957 1.22278e-16 182 63.546 0.00568951 -3.5352 63.546000 Cu 0.558181 0.903722 4.66969e-17 235 63.546 0.00132632 -3.5372 63.546000 Cu 0.562227 0.937276 1.42257e-16 236 63.546 0.00922265 -3.5372 63.546000 Cu 0.593525 0.920243 0.5 237 63.546 0.00312782 -3.53501 63.546000 Cu 0.628761 0.936905 3.99571e-17 239 63.546 0.0102143 -3.53163 63.546000 Cu 0.659683 0.919509 0.5 438 63.546 0.0186751 -3.53078 63.546000 Cu 0.755749 0.897787 4.62154e-17 418 63.546 0.0325622 -3.53161 63.546000 Cu 0.690304 0.901452 3.99571e-17 435 63.546 0.0347654 -3.53493 63.546000 Cu 0.69499 0.936221 7.48594e-17 436 63.546 0.0814478 -3.52572 63.546000 Cu 0.725009 0.917379 0.5 437 63.546 0.0771879 -3.52531 63.546000 Cu 0.759996 0.932589 0 439 63.546 0.222651 -3.51437 63.546000 Cu 0.821925 0.892095 1 421 63.546 0.104436 -3.51735 63.546000 Cu 0.825747 0.924475 1 422 63.546 0.584525 -3.46958 63.546000 Cu 0.857525 0.906458 0.5 423 63.546 0.129237 -3.52115 63.546000 Cu 0.790108 0.91229 0.5 424 63.546 0.105267 -3.52485 63.546000 Cu 0.862072 0.938544 0.5 428 63.546 0.497366 -3.49612 63.546000 Cu 0.991597 0.904284 0.5 399 63.546 0.00108719 -3.53907 63.546000 Cu 0.995639 0.937544 0.5 404 63.546 0.00981123 -3.53969 63.546000 Cu 0.889128 0.889181 1 394 63.546 0.0235251 -3.53379 63.546000 Cu 0.960392 0.921122 0 398 63.546 0.00318066 -3.53969 63.546000 Cu 0.924795 0.904949 0.5 400 63.546 0.00665243 -3.53773 63.546000 Cu 0.893547 0.921765 4.81411e-19 425 63.546 0.034749 -3.5343 63.546000 Cu 0.929007 0.937835 0.5 427 63.546 0.012324 -3.53893 63.546000 Cu 0.0302995 0.954138 2.44557e-16 402 63.546 0.0244857 -3.53859 63.546000 Cu 0.096979 0.953949 6.76382e-17 405 63.546 0.0263146 -3.53669 63.546000 Cu 0.0641021 0.970788 0.5 408 63.546 0.0382085 -3.54064 63.546000 Cu 0.0299483 0.987525 1.21797e-16 433 63.546 0.0214554 -3.53817 63.546000 Cu 0.0966445 0.987555 1.08317e-16 406 63.546 0.0243086 -3.53666 63.546000 Cu 0.163658 0.953765 1.16742e-16 370 63.546 0.0366787 -3.5226 63.546000 Cu 0.198785 0.97081 0.5 376 63.546 0.2229 -3.51063 63.546000 Cu 0.1312 0.970737 0.5 407 63.546 0.0719526 -3.53911 63.546000 Cu 0.163346 0.987763 1.22278e-16 409 63.546 0.036122 -3.52246 63.546000 Cu 0.292958 0.947903 3.99571e-17 332 63.546 5.92667 -3.45342 63.546000 Cu 0.229917 0.953234 0 373 63.546 0.342212 -3.49372 63.546000 Cu 0.229601 0.98841 0 374 63.546 0.337766 -3.49427 63.546000 Cu 0.267996 0.9708 0.5 375 63.546 4.57864 -3.57137 63.546000 Cu 0.292578 0.993857 1 377 63.546 5.91346 -3.4555 63.546000 Cu 0.331276 0.955612 0.5 338 63.546 5.946 -3.26775 63.546000 Cu 0.330813 0.985885 0.5 378 63.546 5.86146 -3.2742 63.546000 Cu 0.364663 0.970815 1 336 63.546 3.22983 -3.47842 63.546000 Cu 0.397607 0.954408 0.5 337 63.546 0.0618791 -3.53214 63.546000 Cu 0.430912 0.970849 5.29552e-18 339 63.546 0.0335239 -3.54118 63.546000 Cu 0.397252 0.987254 0.5 341 63.546 0.0593169 -3.53187 63.546000 Cu 0.497386 0.970843 0 290 63.546 0.0315007 -3.54045 63.546000 Cu 0.530299 0.954138 0.5 291 63.546 0.0244857 -3.53859 63.546000 Cu 0.463794 0.954275 0.5 292 63.546 0.0289286 -3.53868 63.546000 Cu 0.529948 0.987525 0.5 295 63.546 0.0214554 -3.53817 63.546000 Cu 0.463438 0.98745 0.5 340 63.546 0.0254111 -3.53853 63.546000 Cu 0.6312 0.970737 3.99571e-17 240 63.546 0.0719526 -3.53911 63.546000 Cu 0.596979 0.953949 0.5 241 63.546 0.0263146 -3.53669 63.546000 Cu 0.564102 0.970788 1 293 63.546 0.0382085 -3.54064 63.546000 Cu 0.596645 0.987555 0.5 294 63.546 0.0243086 -3.53666 63.546000 Cu 0.663658 0.953765 0.5 448 63.546 0.0366787 -3.5226 63.546000 Cu 0.663346 0.987763 0.5 452 63.546 0.036122 -3.52246 63.546000 Cu 0.767996 0.9708 1 440 63.546 4.57864 -3.57137 63.546000 Cu 0.729917 0.953234 0.5 442 63.546 0.342212 -3.49372 63.546000 Cu 0.698785 0.97081 1 449 63.546 0.2229 -3.51063 63.546000 Cu 0.729601 0.98841 0.5 451 63.546 0.337766 -3.49427 63.546000 Cu 0.792958 0.947903 0.5 441 63.546 5.92667 -3.45342 63.546000 Cu 0.831276 0.955612 1 443 63.546 5.946 -3.26775 63.546000 Cu 0.830813 0.985885 3.20138e-17 444 63.546 5.86146 -3.2742 63.546000 Cu 0.864663 0.970815 0.5 445 63.546 3.22983 -3.47842 63.546000 Cu 0.792578 0.993857 0.5 446 63.546 5.91346 -3.4555 63.546000 Cu 0.997386 0.970843 0.5 431 63.546 0.0315007 -3.54045 63.546000 Cu 0.897607 0.954408 3.99571e-17 426 63.546 0.0618791 -3.53214 63.546000 Cu 0.963794 0.954275 1.22278e-16 429 63.546 0.0289286 -3.53868 63.546000 Cu 0.963438 0.98745 3.99571e-17 430 63.546 0.0254111 -3.53853 63.546000 Cu 0.930912 0.970849 0.5 432 63.546 0.0335239 -3.54118 63.546000 Cu 0.897252 0.987254 0 447 63.546 0.0593169 -3.53187