Number of particles = 902 A = 1 Angstrom (basic length-scale) H0(1,1) = 38.3477 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 76.8592 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61873 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 0.0537338 0.04103 1 480 63.546 0.00259769 -3.53779 63.546000 Cu 0.0227858 0.0237137 0.5 481 63.546 0.00141573 -3.53715 63.546000 Cu 0.0184445 0.0571755 0.5 482 63.546 0.00104996 -3.53863 63.546000 Cu 0.0580958 0.00737794 1.62747e-16 483 63.546 0.00312345 -3.53552 63.546000 Cu 0.124097 0.00861414 0 484 63.546 0.0221822 -3.5347 63.546000 Cu 0.0889438 0.0248272 0.5 485 63.546 0.00718846 -3.53628 63.546000 Cu 0.0494342 0.0746084 0 501 63.546 0.00169024 -3.53884 63.546000 Cu 0.0846225 0.0585992 0.5 503 63.546 0.00482504 -3.53851 63.546000 Cu 0.119702 0.0426462 1.2236e-16 505 63.546 0.0120181 -3.53776 63.546000 Cu 0.154671 0.0268714 0.5 507 63.546 0.0285108 -3.53737 63.546000 Cu 0.150508 0.0608128 0.5 508 63.546 0.0112799 -3.53889 63.546000 Cu 0.11552 0.0764276 0 502 63.546 0.00646814 -3.53942 63.546000 Cu 0.185381 0.0455381 1 506 63.546 0.016317 -3.53742 63.546000 Cu 0.18952 0.0115704 0 509 63.546 0.0582789 -3.53321 63.546000 Cu 0.255064 0.0172319 0 510 63.546 0.0860608 -3.50878 63.546000 Cu 0.220106 0.0308638 0.5 511 63.546 0.019582 -3.53168 63.546000 Cu 0.290676 0.00325912 0.5 512 63.546 0.126589 -3.51826 63.546000 Cu 0.216348 0.0642504 0.5 537 63.546 0.00474089 -3.53614 63.546000 Cu 0.251328 0.0497933 0 539 63.546 0.0172558 -3.52899 63.546000 Cu 0.318251 0.0529498 1 540 63.546 0.0132645 -3.53623 63.546000 Cu 0.286678 0.035377 0.5 541 63.546 0.0396326 -3.52895 63.546000 Cu 0.282806 0.0679296 0.5 542 63.546 0.0130295 -3.53411 63.546000 Cu 0.322335 0.0204583 0 543 63.546 0.0219517 -3.53424 63.546000 Cu 0.389488 0.0219207 1 544 63.546 0.00306986 -3.53824 63.546000 Cu 0.358074 0.00503092 0.5 545 63.546 0.00711162 -3.53753 63.546000 Cu 0.35385 0.0376056 0.5 546 63.546 0.00679951 -3.53787 63.546000 Cu 0.425061 0.00593879 0.5 547 63.546 0.0017519 -3.53794 63.546000 Cu 0.34971 0.0703344 0.5 579 63.546 0.00506594 -3.53802 63.546000 Cu 0.385216 0.0547497 0 581 63.546 0.00277911 -3.5388 63.546000 Cu 0.451985 0.055996 1 582 63.546 0.000650169 -3.53877 63.546000 Cu 0.420782 0.0389031 0.5 583 63.546 0.0012635 -3.5387 63.546000 Cu 0.416512 0.0719185 0.5 584 63.546 0.00107795 -3.53919 63.546000 Cu 0.456295 0.022855 1 585 63.546 0.000933746 -3.53797 63.546000 Cu 0.49173 0.00662698 0.5 587 63.546 0.00140595 -3.53712 63.546000 Cu 0.487403 0.0399248 0.5 588 63.546 0.000801905 -3.53816 63.546000 Cu 0.483106 0.0732136 0.5 629 63.546 0.000557798 -3.53892 63.546000 Cu 0.522786 0.0237137 1 586 63.546 0.00141573 -3.53715 63.546000 Cu 0.558096 0.00737794 0.5 589 63.546 0.00312345 -3.53552 63.546000 Cu 0.518445 0.0571755 1 631 63.546 0.00104996 -3.53863 63.546000 Cu 0.584622 0.0585992 1 632 63.546 0.00482504 -3.53851 63.546000 Cu 0.553734 0.04103 0.5 633 63.546 0.00259769 -3.53779 63.546000 Cu 0.549434 0.0746084 0.5 634 63.546 0.00169024 -3.53884 63.546000 Cu 0.588944 0.0248272 4.94953e-17 635 63.546 0.00718846 -3.53628 63.546000 Cu 0.654671 0.0268714 0 636 63.546 0.0285108 -3.53737 63.546000 Cu 0.624097 0.00861414 0.5 637 63.546 0.0221822 -3.5347 63.546000 Cu 0.619702 0.0426462 0.5 638 63.546 0.0120181 -3.53776 63.546000 Cu 0.650508 0.0608128 1 689 63.546 0.0112799 -3.53889 63.546000 Cu 0.61552 0.0764276 0.5 687 63.546 0.00646814 -3.53942 63.546000 Cu 0.790676 0.00325912 1.226e-16 455 63.546 0.126589 -3.51826 63.546000 Cu 0.822335 0.0204583 0.5 457 63.546 0.0219517 -3.53424 63.546000 Cu 0.818251 0.0529498 0.5 459 63.546 0.0132645 -3.53623 63.546000 Cu 0.68952 0.0115704 0.5 639 63.546 0.0582789 -3.53321 63.546000 Cu 0.716348 0.0642504 0 690 63.546 0.00474089 -3.53614 63.546000 Cu 0.685381 0.0455381 0.5 691 63.546 0.016317 -3.53742 63.546000 Cu 0.720106 0.0308638 1 693 63.546 0.019582 -3.53168 63.546000 Cu 0.786678 0.035377 1.19843e-19 694 63.546 0.0396326 -3.52895 63.546000 Cu 0.755064 0.0172319 0.5 695 63.546 0.0860608 -3.50878 63.546000 Cu 0.751328 0.0497933 0.5 696 63.546 0.0172558 -3.52899 63.546000 Cu 0.782806 0.0679296 0 751 63.546 0.0130295 -3.53411 63.546000 Cu 0.858074 0.00503092 1.19843e-19 456 63.546 0.00711162 -3.53753 63.546000 Cu 0.84971 0.0703344 1 458 63.546 0.00506594 -3.53802 63.546000 Cu 0.85385 0.0376056 1 461 63.546 0.00679951 -3.53787 63.546000 Cu 0.920782 0.0389031 1 462 63.546 0.0012635 -3.5387 63.546000 Cu 0.889488 0.0219207 0.5 463 63.546 0.00306986 -3.53824 63.546000 Cu 0.885216 0.0547497 0.5 464 63.546 0.00277911 -3.5388 63.546000 Cu 0.925061 0.00593879 1.00189e-16 465 63.546 0.0017519 -3.53794 63.546000 Cu 0.99173 0.00662698 1.226e-16 466 63.546 0.00140595 -3.53712 63.546000 Cu 0.956295 0.022855 0.5 467 63.546 0.000933746 -3.53797 63.546000 Cu 0.916512 0.0719185 2.09726e-16 475 63.546 0.00107795 -3.53919 63.546000 Cu 0.983106 0.0732136 1.2236e-16 476 63.546 0.000557798 -3.53892 63.546000 Cu 0.951985 0.055996 0.5 477 63.546 0.000650169 -3.53877 63.546000 Cu 0.987403 0.0399248 1.19843e-19 479 63.546 0.000801905 -3.53816 63.546000 Cu 0.0453137 0.108081 1 498 63.546 0.00115584 -3.53954 63.546000 Cu 0.0142063 0.0905769 0.5 499 63.546 0.000708553 -3.53907 63.546000 Cu 0.0101541 0.123947 0.5 500 63.546 0.000412427 -3.5398 63.546000 Cu 0.0804262 0.0922257 0.5 504 63.546 0.00281862 -3.5395 63.546000 Cu 0.0413437 0.141496 1 527 63.546 0.000625245 -3.53988 63.546000 Cu 0.107617 0.143493 2.4496e-16 528 63.546 0.00175907 -3.5397 63.546000 Cu 0.0764507 0.125732 0.5 529 63.546 0.00153757 -3.53993 63.546000 Cu 0.111507 0.110029 1 531 63.546 0.0032459 -3.54009 63.546000 Cu 0.146502 0.0944792 0.5 533 63.546 0.00503261 -3.53954 63.546000 Cu 0.142647 0.127974 0.5 534 63.546 0.00249631 -3.53983 63.546000 Cu 0.173859 0.145984 2.73243e-16 569 63.546 0.00110463 -3.53915 63.546000 Cu 0.177618 0.112636 3.73912e-17 532 63.546 0.00231115 -3.53898 63.546000 Cu 0.181451 0.0791815 4.44619e-17 535 63.546 0.00538363 -3.53862 63.546000 Cu 0.247609 0.0826937 2.4508e-16 536 63.546 0.00436949 -3.53513 63.546000 Cu 0.212568 0.0975439 0.5 538 63.546 0.0015212 -3.53776 63.546000 Cu 0.240183 0.148832 9.07215e-17 570 63.546 0.000330917 -3.53817 63.546000 Cu 0.20886 0.130787 0.5 571 63.546 0.000565812 -3.53834 63.546000 Cu 0.243886 0.115735 0 573 63.546 0.00128334 -3.53735 63.546000 Cu 0.31047 0.11854 0 574 63.546 0.00324608 -3.53828 63.546000 Cu 0.279014 0.100745 0.5 575 63.546 0.00449141 -3.53685 63.546000 Cu 0.275289 0.133719 0.5 576 63.546 0.00171571 -3.53789 63.546000 Cu 0.314302 0.085655 0 577 63.546 0.00664506 -3.53723 63.546000 Cu 0.306694 0.151536 2.82231e-16 619 63.546 0.00158914 -3.53892 63.546000 Cu 0.341898 0.136196 0.5 621 63.546 0.00224695 -3.53917 63.546000 Cu 0.381084 0.0876623 0 578 63.546 0.0021922 -3.53898 63.546000 Cu 0.34574 0.103205 0.5 580 63.546 0.0033869 -3.53884 63.546000 Cu 0.373263 0.153769 2.452e-16 620 63.546 0.00135076 -3.53968 63.546000 Cu 0.37714 0.120679 1 623 63.546 0.00164899 -3.5396 63.546000 Cu 0.443721 0.12236 8.73659e-17 624 63.546 0.000233676 -3.53969 63.546000 Cu 0.412425 0.104992 0.5 625 63.546 0.00082642 -3.53974 63.546000 Cu 0.408488 0.13813 0.5 626 63.546 0.000709345 -3.53959 63.546000 Cu 0.447746 0.0891569 1 627 63.546 0.000449157 -3.53952 63.546000 Cu 0.478965 0.106502 0.5 630 63.546 0.00028231 -3.53969 63.546000 Cu 0.47496 0.139787 0.5 679 63.546 0.000113853 -3.5396 63.546000 Cu 0.514206 0.0905769 1 628 63.546 0.000708553 -3.53907 63.546000 Cu 0.510154 0.123947 1 681 63.546 0.000412427 -3.5398 63.546000 Cu 0.576451 0.125732 1 682 63.546 0.00153757 -3.53993 63.546000 Cu 0.545314 0.108081 0.5 683 63.546 0.00115584 -3.53954 63.546000 Cu 0.541344 0.141496 0.5 684 63.546 0.000625245 -3.53988 63.546000 Cu 0.580426 0.0922257 1.63107e-16 685 63.546 0.00281862 -3.5395 63.546000 Cu 0.646502 0.0944792 0 686 63.546 0.00503261 -3.53954 63.546000 Cu 0.611507 0.110029 0.5 688 63.546 0.0032459 -3.54009 63.546000 Cu 0.607617 0.143493 0.5 741 63.546 0.00175907 -3.5397 63.546000 Cu 0.642647 0.127974 1 743 63.546 0.00249631 -3.53983 63.546000 Cu 0.673859 0.145984 0.5 746 63.546 0.00110463 -3.53915 63.546000 Cu 0.814302 0.085655 0.5 460 63.546 0.00664506 -3.53723 63.546000 Cu 0.81047 0.11854 0.5 469 63.546 0.00324608 -3.53828 63.546000 Cu 0.806694 0.151536 0.5 470 63.546 0.00158914 -3.53892 63.546000 Cu 0.681451 0.0791815 0.5 692 63.546 0.00538363 -3.53862 63.546000 Cu 0.70886 0.130787 1 744 63.546 0.000565812 -3.53834 63.546000 Cu 0.677618 0.112636 0.5 745 63.546 0.00231115 -3.53898 63.546000 Cu 0.712568 0.0975439 0 747 63.546 0.0015212 -3.53776 63.546000 Cu 0.779014 0.100745 4.55405e-18 748 63.546 0.00449141 -3.53685 63.546000 Cu 0.747609 0.0826937 0.5 749 63.546 0.00436949 -3.53513 63.546000 Cu 0.743886 0.115735 0.5 750 63.546 0.00128334 -3.53735 63.546000 Cu 0.740183 0.148832 0.5 795 63.546 0.000330917 -3.53817 63.546000 Cu 0.775289 0.133719 1 797 63.546 0.00171571 -3.53789 63.546000 Cu 0.841898 0.136196 1 468 63.546 0.00224695 -3.53917 63.546000 Cu 0.84574 0.103205 1.226e-16 471 63.546 0.0033869 -3.53884 63.546000 Cu 0.912425 0.104992 1.6802e-16 472 63.546 0.00082642 -3.53974 63.546000 Cu 0.881084 0.0876623 0.5 473 63.546 0.0021922 -3.53898 63.546000 Cu 0.87714 0.120679 0.5 474 63.546 0.00164899 -3.5396 63.546000 Cu 0.947746 0.0891569 0.5 478 63.546 0.000449157 -3.53952 63.546000 Cu 0.873263 0.153769 0.5 491 63.546 0.00135076 -3.53968 63.546000 Cu 0.908488 0.13813 1 493 63.546 0.000709345 -3.53959 63.546000 Cu 0.97496 0.139787 3.5953e-19 494 63.546 0.000113853 -3.5396 63.546000 Cu 0.943721 0.12236 0.5 495 63.546 0.000233676 -3.53969 63.546000 Cu 0.978965 0.106502 0 497 63.546 0.00028231 -3.53969 63.546000 Cu 0.0373472 0.174837 5.27311e-18 524 63.546 0.000348086 -3.54 63.546000 Cu 0.0725268 0.159116 0.5 530 63.546 0.00113625 -3.53989 63.546000 Cu 0.0333031 0.208114 1 561 63.546 0.000430732 -3.53981 63.546000 Cu 0.0997097 0.210059 1.2248e-16 562 63.546 0.00122658 -3.53974 63.546000 Cu 0.06853 0.192425 0.5 563 63.546 0.0008065 -3.53985 63.546000 Cu 0.064424 0.225658 0.5 564 63.546 0.000788511 -3.5397 63.546000 Cu 0.103717 0.176824 1.3758e-16 565 63.546 0.00134423 -3.53993 63.546000 Cu 0.138823 0.161332 0.5 567 63.546 0.00152743 -3.53955 63.546000 Cu 0.134925 0.194585 0.5 568 63.546 0.00128301 -3.5396 63.546000 Cu 0.130885 0.227742 0.5 609 63.546 0.00136238 -3.53961 63.546000 Cu 0.166162 0.212396 0 611 63.546 0.00097309 -3.53936 63.546000 Cu 0.00616308 0.157281 0.5 525 63.546 0.000154201 -3.53998 63.546000 Cu 0.00214594 0.190594 0.5 526 63.546 8.10336e-05 -3.53988 63.546000 Cu 0.17006 0.179237 1.40217e-17 566 63.546 0.000773221 -3.53915 63.546000 Cu 0.205129 0.163989 0.5 572 63.546 0.000263474 -3.53873 63.546000 Cu 0.232615 0.215081 0 612 63.546 0.00011048 -3.53874 63.546000 Cu 0.20133 0.197147 0.5 613 63.546 0.000282602 -3.53898 63.546000 Cu 0.197399 0.230253 0.5 614 63.546 0.00058231 -3.53863 63.546000 Cu 0.236455 0.181961 1 615 63.546 7.03775e-05 -3.53873 63.546000 Cu 0.302908 0.184634 9.39573e-17 616 63.546 0.00106721 -3.53892 63.546000 Cu 0.271554 0.166779 0.5 617 63.546 0.000683214 -3.5387 63.546000 Cu 0.267768 0.199883 0.5 618 63.546 0.000346846 -3.53883 63.546000 Cu 0.299004 0.217784 1 669 63.546 0.000886669 -3.53939 63.546000 Cu 0.338064 0.169274 0.5 622 63.546 0.00159524 -3.53943 63.546000 Cu 0.334181 0.202419 0.5 671 63.546 0.00124188 -3.53935 63.546000 Cu 0.365342 0.220173 1.19843e-19 670 63.546 0.00129682 -3.54005 63.546000 Cu 0.369356 0.186938 2.39687e-19 673 63.546 0.00122806 -3.53955 63.546000 Cu 0.435769 0.18885 1 674 63.546 0.0002705 -3.54006 63.546000 Cu 0.404546 0.171315 0.5 675 63.546 0.000671639 -3.5399 63.546000 Cu 0.400569 0.204558 0.5 676 63.546 0.000820262 -3.53996 63.546000 Cu 0.439756 0.155577 1 677 63.546 0.000163327 -3.53969 63.546000 Cu 0.470965 0.173073 0.5 680 63.546 2.06648e-05 -3.53999 63.546000 Cu 0.431674 0.22216 1 731 63.546 0.000572061 -3.53998 63.546000 Cu 0.498014 0.223891 0 732 63.546 8.13878e-05 -3.5397 63.546000 Cu 0.466919 0.20638 0.5 733 63.546 9.81993e-05 -3.54 63.546000 Cu 0.506163 0.157281 1.19843e-19 678 63.546 0.000154201 -3.53998 63.546000 Cu 0.502146 0.190594 1 735 63.546 8.10336e-05 -3.53988 63.546000 Cu 0.56853 0.192425 1 736 63.546 0.0008065 -3.53985 63.546000 Cu 0.537347 0.174837 0.5 737 63.546 0.000348086 -3.54 63.546000 Cu 0.533303 0.208114 0.5 738 63.546 0.000430732 -3.53981 63.546000 Cu 0.572527 0.159116 1 739 63.546 0.00113625 -3.53989 63.546000 Cu 0.638823 0.161332 1 740 63.546 0.00152743 -3.53955 63.546000 Cu 0.603717 0.176824 0.5 742 63.546 0.00134423 -3.53993 63.546000 Cu 0.564424 0.225658 0 785 63.546 0.000788511 -3.5397 63.546000 Cu 0.630885 0.227742 1 786 63.546 0.00136238 -3.53961 63.546000 Cu 0.59971 0.210059 0.5 787 63.546 0.00122658 -3.53974 63.546000 Cu 0.634925 0.194585 1 789 63.546 0.00128301 -3.5396 63.546000 Cu 0.666162 0.212396 0.5 792 63.546 0.00097309 -3.53936 63.546000 Cu 0.67006 0.179237 0.5 791 63.546 0.000773221 -3.53915 63.546000 Cu 0.802908 0.184634 0.5 487 63.546 0.00106721 -3.53892 63.546000 Cu 0.799004 0.217784 0.5 488 63.546 0.000886669 -3.53939 63.546000 Cu 0.70133 0.197147 1 790 63.546 0.000282602 -3.53898 63.546000 Cu 0.705129 0.163989 1 793 63.546 0.000263474 -3.53873 63.546000 Cu 0.771554 0.166779 1 794 63.546 0.000683214 -3.5387 63.546000 Cu 0.736455 0.181961 0.5 796 63.546 7.03775e-05 -3.53873 63.546000 Cu 0.697399 0.230253 1.2248e-16 831 63.546 0.00058231 -3.53863 63.546000 Cu 0.732615 0.215081 0.5 833 63.546 0.00011048 -3.53874 63.546000 Cu 0.767768 0.199883 1.2284e-16 835 63.546 0.000346846 -3.53883 63.546000 Cu 0.834181 0.202419 1 486 63.546 0.00124188 -3.53935 63.546000 Cu 0.838064 0.169274 3.5953e-19 489 63.546 0.00159524 -3.53943 63.546000 Cu 0.904546 0.171315 1 490 63.546 0.000671639 -3.5399 63.546000 Cu 0.869356 0.186938 0.5 492 63.546 0.00122806 -3.53955 63.546000 Cu 0.939756 0.155577 0.5 496 63.546 0.000163327 -3.53969 63.546000 Cu 0.865342 0.220173 0.5 517 63.546 0.00129682 -3.54005 63.546000 Cu 0.900569 0.204558 1.19843e-19 519 63.546 0.000820262 -3.53996 63.546000 Cu 0.966919 0.20638 1 520 63.546 9.81993e-05 -3.54 63.546000 Cu 0.935769 0.18885 0.5 521 63.546 0.0002705 -3.54006 63.546000 Cu 0.931674 0.22216 0.5 522 63.546 0.000572061 -3.53998 63.546000 Cu 0.970965 0.173073 1 523 63.546 2.06648e-05 -3.53999 63.546000 Cu 0.998014 0.223891 0.5 559 63.546 8.13878e-05 -3.5397 63.546000 Cu 0.0290785 0.241357 1 558 63.546 0.000333893 -3.53942 63.546000 Cu 0.0247985 0.274561 7.8857e-17 603 63.546 0.000395238 -3.53952 63.546000 Cu 0.0913425 0.276279 1.22001e-16 604 63.546 0.00153898 -3.53935 63.546000 Cu 0.060168 0.258824 0.5 605 63.546 0.000777165 -3.53969 63.546000 Cu 0.0559081 0.291931 0.5 606 63.546 0.000924183 -3.53937 63.546000 Cu 0.0955405 0.243206 1.2236e-16 607 63.546 0.00136692 -3.53969 63.546000 Cu 0.162092 0.245465 1.36622e-17 608 63.546 0.00150861 -3.53892 63.546000 Cu 0.126731 0.260797 0.5 610 63.546 0.00187439 -3.53916 63.546000 Cu 0.122569 0.293737 0.5 659 63.546 0.00327765 -3.53851 63.546000 Cu 0.15799 0.278427 2.80074e-16 661 63.546 0.00320902 -3.53821 63.546000 Cu 0.224572 0.281231 1.74852e-16 662 63.546 0.0012382 -3.53776 63.546000 Cu 0.193336 0.263274 0.5 663 63.546 0.00157298 -3.53812 63.546000 Cu 0.189297 0.296204 0.5 664 63.546 0.00437359 -3.53689 63.546000 Cu 0.228594 0.248169 1.2224e-16 665 63.546 0.000324428 -3.53829 63.546000 Cu 0.294933 0.251011 1.2236e-16 666 63.546 0.00114324 -3.53937 63.546000 Cu 0.263807 0.233027 0.5 667 63.546 0.000293078 -3.53888 63.546000 Cu 0.259771 0.266195 0.5 668 63.546 0.000580325 -3.53877 63.546000 Cu 0.330121 0.235662 0.5 672 63.546 0.00140081 -3.53991 63.546000 Cu 0.255728 0.299402 0.5 721 63.546 0.00158697 -3.53826 63.546000 Cu 0.290842 0.28431 1.65504e-16 723 63.546 0.0021284 -3.53957 63.546000 Cu 0.32597 0.268989 0.5 725 63.546 0.00223319 -3.53972 63.546000 Cu 0.321793 0.302451 0.5 726 63.546 0.0047149 -3.54008 63.546000 Cu 0.356939 0.286918 1.05103e-16 724 63.546 0.00311997 -3.53995 63.546000 Cu 0.361161 0.253497 1 727 63.546 0.00182615 -3.53982 63.546000 Cu 0.4274 0.255492 0 728 63.546 0.000876836 -3.5398 63.546000 Cu 0.396401 0.237869 0.5 729 63.546 0.00108403 -3.53999 63.546000 Cu 0.392135 0.271241 0.5 730 63.546 0.00173372 -3.53984 63.546000 Cu 0.462716 0.239689 0.5 734 63.546 0.00020679 -3.53953 63.546000 Cu 0.387819 0.304719 0.5 775 63.546 0.00311934 -3.53953 63.546000 Cu 0.423089 0.288876 1 777 63.546 0.00145668 -3.53946 63.546000 Cu 0.489404 0.290416 1 778 63.546 0.000260306 -3.53942 63.546000 Cu 0.458413 0.273002 0.5 779 63.546 0.00039763 -3.53956 63.546000 Cu 0.45401 0.306346 0.5 780 63.546 0.000721018 -3.53899 63.546000 Cu 0.493744 0.257154 0 781 63.546 8.98803e-05 -3.53926 63.546000 Cu 0.560168 0.258824 4.93755e-17 782 63.546 0.000777165 -3.53969 63.546000 Cu 0.529078 0.241357 0.5 783 63.546 0.000333893 -3.53942 63.546000 Cu 0.524799 0.274561 0.5 784 63.546 0.000395238 -3.53952 63.546000 Cu 0.59554 0.243206 0.5 788 63.546 0.00136692 -3.53969 63.546000 Cu 0.555908 0.291931 1 823 63.546 0.000924183 -3.53937 63.546000 Cu 0.622569 0.293737 1 824 63.546 0.00327765 -3.53851 63.546000 Cu 0.591342 0.276279 0.5 825 63.546 0.00153898 -3.53935 63.546000 Cu 0.626731 0.260797 1 827 63.546 0.00187439 -3.53916 63.546000 Cu 0.662092 0.245465 0.5 829 63.546 0.00150861 -3.53892 63.546000 Cu 0.65799 0.278427 0.5 830 63.546 0.00320902 -3.53821 63.546000 Cu 0.82597 0.268989 4.67389e-18 513 63.546 0.00223319 -3.53972 63.546000 Cu 0.794933 0.251011 0.5 514 63.546 0.00114324 -3.53937 63.546000 Cu 0.830121 0.235662 1.46209e-17 515 63.546 0.00140081 -3.53991 63.546000 Cu 0.821793 0.302451 1.226e-16 549 63.546 0.0047149 -3.54008 63.546000 Cu 0.693336 0.263274 1 828 63.546 0.00157298 -3.53812 63.546000 Cu 0.763807 0.233027 1 832 63.546 0.000293078 -3.53888 63.546000 Cu 0.728594 0.248169 0.5 834 63.546 0.000324428 -3.53829 63.546000 Cu 0.689297 0.296204 1 861 63.546 0.00437359 -3.53689 63.546000 Cu 0.755728 0.299402 1.2248e-16 862 63.546 0.00158697 -3.53826 63.546000 Cu 0.724572 0.281231 0.5 863 63.546 0.0012382 -3.53776 63.546000 Cu 0.759771 0.266195 1 865 63.546 0.000580325 -3.53877 63.546000 Cu 0.790842 0.28431 0.5 866 63.546 0.0021284 -3.53957 63.546000 Cu 0.896401 0.237869 1.89113e-16 516 63.546 0.00108403 -3.53999 63.546000 Cu 0.861161 0.253497 0.5 518 63.546 0.00182615 -3.53982 63.546000 Cu 0.887819 0.304719 0 550 63.546 0.00311934 -3.53953 63.546000 Cu 0.856939 0.286918 0.5 551 63.546 0.00311997 -3.53995 63.546000 Cu 0.892135 0.271241 3.39157e-17 553 63.546 0.00173372 -3.53984 63.546000 Cu 0.958413 0.273002 2.02535e-16 554 63.546 0.00039763 -3.53956 63.546000 Cu 0.9274 0.255492 0.5 555 63.546 0.000876836 -3.5398 63.546000 Cu 0.923089 0.288876 0.5 556 63.546 0.00145668 -3.53946 63.546000 Cu 0.962716 0.239689 6.5075e-17 557 63.546 0.00020679 -3.53953 63.546000 Cu 0.993744 0.257154 0.5 560 63.546 8.98803e-05 -3.53926 63.546000 Cu 0.95401 0.306346 1 599 63.546 0.000721018 -3.53899 63.546000 Cu 0.989404 0.290416 0.5 601 63.546 0.000260306 -3.53942 63.546000 Cu 0.0204395 0.307735 1.2236e-16 600 63.546 0.000561634 -3.53929 63.546000 Cu 0.011134 0.373987 3.38917e-16 650 63.546 0.0010052 -3.53689 63.546000 Cu 0.0158736 0.340877 0 653 63.546 0.000757612 -3.53844 63.546000 Cu 0.0825955 0.342122 1 654 63.546 0.00278222 -3.53833 63.546000 Cu 0.0514829 0.324963 0.5 655 63.546 0.00129094 -3.53884 63.546000 Cu 0.0468473 0.357941 0.5 656 63.546 0.00156927 -3.53781 63.546000 Cu 0.0870679 0.309251 1.9882e-16 657 63.546 0.00213357 -3.53876 63.546000 Cu 0.153863 0.311266 0 658 63.546 0.00658513 -3.53697 63.546000 Cu 0.118286 0.326552 0.5 660 63.546 0.00525857 -3.5378 63.546000 Cu 0.0779319 0.374883 1 711 63.546 0.00341145 -3.53719 63.546000 Cu 0.145082 0.376352 1.65384e-17 712 63.546 0.022636 -3.53397 63.546000 Cu 0.113783 0.359227 0.5 713 63.546 0.00719078 -3.53725 63.546000 Cu 0.149588 0.34391 0 715 63.546 0.01408 -3.53594 63.546000 Cu 0.2165 0.34709 2.55986e-16 716 63.546 0.0160566 -3.53016 63.546000 Cu 0.185185 0.328967 0.5 717 63.546 0.0128178 -3.53446 63.546000 Cu 0.180947 0.361478 0.5 718 63.546 0.0380978 -3.52947 63.546000 Cu 0.220564 0.31423 8.92834e-17 719 63.546 0.00440171 -3.53569 63.546000 Cu 0.286712 0.317741 2.39088e-16 720 63.546 0.00558267 -3.53898 63.546000 Cu 0.251687 0.332643 0.5 722 63.546 0.00489245 -3.53676 63.546000 Cu 0.212308 0.379613 1 765 63.546 0.0796927 -3.51087 63.546000 Cu 0.247463 0.365963 0.5 767 63.546 0.0178885 -3.53309 63.546000 Cu 0.282428 0.351321 1.36741e-16 769 63.546 0.0153504 -3.53815 63.546000 Cu 0.317497 0.336089 0.5 771 63.546 0.0112757 -3.5392 63.546000 Cu 0.312903 0.369979 0.5 772 63.546 0.0281199 -3.53805 63.546000 Cu 0.34807 0.354246 0 770 63.546 0.0122733 -3.53801 63.546000 Cu 0.352617 0.320488 2.35373e-16 773 63.546 0.00597558 -3.53971 63.546000 Cu 0.418658 0.32233 2.66052e-17 774 63.546 0.00212698 -3.53873 63.546000 Cu 0.383343 0.338331 0.5 776 63.546 0.00557086 -3.53845 63.546000 Cu 0.378583 0.372066 0.5 813 63.546 0.00789789 -3.53614 63.546000 Cu 0.414003 0.355877 1 815 63.546 0.00293018 -3.53716 63.546000 Cu 0.480268 0.356951 1 816 63.546 0.000836944 -3.53749 63.546000 Cu 0.449455 0.339737 0.5 817 63.546 0.00115808 -3.53798 63.546000 Cu 0.444691 0.373166 0.5 818 63.546 0.00152792 -3.53654 63.546000 Cu 0.48493 0.323681 1 819 63.546 0.000572788 -3.53883 63.546000 Cu 0.520439 0.307735 0.5 821 63.546 0.000561634 -3.53929 63.546000 Cu 0.551483 0.324963 3.5953e-19 820 63.546 0.00129094 -3.53884 63.546000 Cu 0.515874 0.340877 0.5 822 63.546 0.000757612 -3.53844 63.546000 Cu 0.587068 0.309251 0.5 826 63.546 0.00213357 -3.53876 63.546000 Cu 0.511134 0.373987 0.5 851 63.546 0.0010052 -3.53689 63.546000 Cu 0.546847 0.357941 2.39687e-19 853 63.546 0.00156927 -3.53781 63.546000 Cu 0.613783 0.359227 1 854 63.546 0.00719078 -3.53725 63.546000 Cu 0.582595 0.342122 0.5 855 63.546 0.00278222 -3.53833 63.546000 Cu 0.577932 0.374883 0.5 856 63.546 0.00341145 -3.53719 63.546000 Cu 0.618286 0.326552 1 857 63.546 0.00525857 -3.5378 63.546000 Cu 0.653863 0.311266 0.5 859 63.546 0.00658513 -3.53697 63.546000 Cu 0.649588 0.34391 0.5 860 63.546 0.01408 -3.53594 63.546000 Cu 0.645082 0.376352 0.5 880 63.546 0.022636 -3.53397 63.546000 Cu 0.817497 0.336089 1 548 63.546 0.0112757 -3.5392 63.546000 Cu 0.812903 0.369979 1 591 63.546 0.0281199 -3.53805 63.546000 Cu 0.685185 0.328967 1 858 63.546 0.0128178 -3.53446 63.546000 Cu 0.720564 0.31423 0.5 864 63.546 0.00440171 -3.53569 63.546000 Cu 0.680947 0.361478 1 882 63.546 0.0380978 -3.52947 63.546000 Cu 0.747463 0.365963 1 883 63.546 0.0178885 -3.53309 63.546000 Cu 0.7165 0.34709 0.5 884 63.546 0.0160566 -3.53016 63.546000 Cu 0.712308 0.379613 0.5 885 63.546 0.0796927 -3.51087 63.546000 Cu 0.751687 0.332643 1 886 63.546 0.00489245 -3.53676 63.546000 Cu 0.786712 0.317741 0.5 887 63.546 0.00558267 -3.53898 63.546000 Cu 0.782428 0.351321 0.5 888 63.546 0.0153504 -3.53815 63.546000 Cu 0.852617 0.320488 0.5 552 63.546 0.00597558 -3.53971 63.546000 Cu 0.878583 0.372066 1.226e-16 592 63.546 0.00789789 -3.53614 63.546000 Cu 0.84807 0.354246 0.5 593 63.546 0.0122733 -3.53801 63.546000 Cu 0.883343 0.338331 1.00069e-16 595 63.546 0.00557086 -3.53845 63.546000 Cu 0.949455 0.339737 0 596 63.546 0.00115808 -3.53798 63.546000 Cu 0.918658 0.32233 0.5 597 63.546 0.00212698 -3.53873 63.546000 Cu 0.914003 0.355877 0.5 598 63.546 0.00293018 -3.53716 63.546000 Cu 0.98493 0.323681 0.5 602 63.546 0.000572788 -3.53883 63.546000 Cu 0.944691 0.373166 1.2224e-16 649 63.546 0.00152792 -3.53654 63.546000 Cu 0.980268 0.356951 0.5 651 63.546 0.000836944 -3.53749 63.546000 Cu 0.0732544 0.407562 8.23324e-17 708 63.546 0.00556523 -3.53694 63.546000 Cu 0.0420933 0.390849 0.5 709 63.546 0.00213494 -3.5369 63.546000 Cu 0.0378038 0.423742 0.5 710 63.546 0.0104384 -3.53773 63.546000 Cu 0.109118 0.39174 0.5 714 63.546 0.00785139 -3.5364 63.546000 Cu 0.0357664 0.456708 0.5 755 63.546 0.0214088 -3.54008 63.546000 Cu 0.0696392 0.440278 0 757 63.546 0.0235274 -3.53672 63.546000 Cu 0.136073 0.440643 8.44896e-17 758 63.546 0.0599432 -3.52135 63.546000 Cu 0.104605 0.424147 0.5 759 63.546 0.0164218 -3.53559 63.546000 Cu 0.102416 0.456696 0.5 760 63.546 0.024707 -3.53947 63.546000 Cu 0.140416 0.408551 1.41415e-17 761 63.546 0.0258335 -3.53033 63.546000 Cu 0.00300243 0.440166 0 704 63.546 0.0188461 -3.53898 63.546000 Cu 0.00642913 0.407064 8.06546e-17 707 63.546 0.00419969 -3.5367 63.546000 Cu 0.277825 0.385228 1.85518e-16 766 63.546 0.0549421 -3.53466 63.546000 Cu 0.176476 0.393575 0.5 763 63.546 0.117322 -3.51866 63.546000 Cu 0.171816 0.425205 0.5 764 63.546 0.390265 -3.48908 63.546000 Cu 0.207995 0.411394 0 762 63.546 0.509903 -3.45871 63.546000 Cu 0.243215 0.399501 0.5 768 63.546 0.0935263 -3.51589 63.546000 Cu 0.202717 0.442022 2.4472e-16 803 63.546 5.44767 -3.27156 63.546000 Cu 0.264976 0.456705 1 804 63.546 4.16854 -3.57942 63.546000 Cu 0.239145 0.43395 0.5 805 63.546 5.41738 -3.43891 63.546000 Cu 0.272704 0.419706 0 807 63.546 0.256219 -3.50606 63.546000 Cu 0.30795 0.404296 0.5 809 63.546 0.0763523 -3.52686 63.546000 Cu 0.302576 0.439357 0.5 810 63.546 0.282201 -3.50457 63.546000 Cu 0.169543 0.456795 0.5 801 63.546 3.04074 -3.45592 63.546000 Cu 0.338069 0.422505 1 808 63.546 0.0443741 -3.52768 63.546000 Cu 0.343188 0.388239 1.226e-16 811 63.546 0.0226122 -3.53455 63.546000 Cu 0.334331 0.456736 1.19843e-19 841 63.546 0.123954 -3.52311 63.546000 Cu 0.40912 0.38951 1.2272e-16 812 63.546 0.00387506 -3.53497 63.546000 Cu 0.37363 0.405961 0.5 814 63.546 0.0107545 -3.53197 63.546000 Cu 0.401947 0.456745 1 842 63.546 0.0391074 -3.54006 63.546000 Cu 0.369262 0.439869 0.5 843 63.546 0.0347659 -3.52964 63.546000 Cu 0.404483 0.423167 1 845 63.546 0.0111601 -3.53387 63.546000 Cu 0.471104 0.423482 3.5953e-19 846 63.546 0.0101093 -3.53705 63.546000 Cu 0.439895 0.406619 0.5 847 63.546 0.00377605 -3.53495 63.546000 Cu 0.43621 0.440052 0.5 848 63.546 0.022082 -3.53802 63.546000 Cu 0.475458 0.390214 1 849 63.546 0.00146613 -3.53603 63.546000 Cu 0.469008 0.456738 1 870 63.546 0.0238431 -3.54041 63.546000 Cu 0.506429 0.407064 0.5 852 63.546 0.00419969 -3.5367 63.546000 Cu 0.503002 0.440166 0.5 872 63.546 0.0188461 -3.53898 63.546000 Cu 0.542093 0.390849 1 850 63.546 0.00213494 -3.5369 63.546000 Cu 0.535766 0.456708 1 871 63.546 0.0214088 -3.54008 63.546000 Cu 0.537804 0.423742 1 874 63.546 0.0104384 -3.53773 63.546000 Cu 0.604605 0.424147 1 875 63.546 0.0164218 -3.53559 63.546000 Cu 0.573254 0.407562 0.5 876 63.546 0.00556523 -3.53694 63.546000 Cu 0.569639 0.440278 0.5 877 63.546 0.0235274 -3.53672 63.546000 Cu 0.609118 0.39174 1 878 63.546 0.00785139 -3.5364 63.546000 Cu 0.640416 0.408551 0.5 881 63.546 0.0258335 -3.53033 63.546000 Cu 0.602416 0.456696 0 892 63.546 0.024707 -3.53947 63.546000 Cu 0.636073 0.440643 0.5 894 63.546 0.0599432 -3.52135 63.546000 Cu 0.777825 0.385228 0.5 901 63.546 0.0549421 -3.53466 63.546000 Cu 0.676476 0.393575 1 879 63.546 0.117322 -3.51866 63.546000 Cu 0.671816 0.425205 1 896 63.546 0.390265 -3.48908 63.546000 Cu 0.764976 0.456705 0.5 33 63.546 4.16854 -3.57942 63.546000 Cu 0.80795 0.404296 1.19843e-19 590 63.546 0.0763523 -3.52686 63.546000 Cu 0.802576 0.439357 0 641 63.546 0.282201 -3.50457 63.546000 Cu 0.739145 0.43395 2.08048e-16 897 63.546 5.41738 -3.43891 63.546000 Cu 0.707995 0.411394 0.5 898 63.546 0.509903 -3.45871 63.546000 Cu 0.702717 0.442022 0.5 899 63.546 5.44767 -3.27156 63.546000 Cu 0.743215 0.399501 1 900 63.546 0.0935263 -3.51589 63.546000 Cu 0.772704 0.419706 0.5 902 63.546 0.256219 -3.50606 63.546000 Cu 0.669543 0.456795 0 893 63.546 3.04074 -3.45592 63.546000 Cu 0.843188 0.388239 0.5 594 63.546 0.0226122 -3.53455 63.546000 Cu 0.838069 0.422505 0.5 643 63.546 0.0443741 -3.52768 63.546000 Cu 0.834331 0.456736 0.5 644 63.546 0.123954 -3.52311 63.546000 Cu 0.869262 0.439869 3.19503e-16 642 63.546 0.0347659 -3.52964 63.546000 Cu 0.87363 0.405961 0 645 63.546 0.0107545 -3.53197 63.546000 Cu 0.939895 0.406619 1.2224e-16 646 63.546 0.00377605 -3.53495 63.546000 Cu 0.90912 0.38951 0.5 647 63.546 0.00387506 -3.53497 63.546000 Cu 0.904483 0.423167 0.5 648 63.546 0.0111601 -3.53387 63.546000 Cu 0.975458 0.390214 0.5 652 63.546 0.00146613 -3.53603 63.546000 Cu 0.901947 0.456745 0.5 701 63.546 0.0391074 -3.54006 63.546000 Cu 0.93621 0.440052 7.78982e-18 703 63.546 0.022082 -3.53802 63.546000 Cu 0.971104 0.423482 0.5 705 63.546 0.0101093 -3.53705 63.546000 Cu 0.969008 0.456738 0.5 706 63.546 0.0238431 -3.54041 63.546000 Cu 0.139437 0.504926 1 1 63.546 0.0252528 -3.53076 63.546000 Cu 0.00550815 0.506392 1 3 63.546 0.00420373 -3.53779 63.546000 Cu 0.0722999 0.50582 1 4 63.546 0.00475781 -3.53814 63.546000 Cu 0.107851 0.521675 0.5 6 63.546 0.00625633 -3.53726 63.546000 Cu 0.0408658 0.52258 0.5 7 63.546 0.00221498 -3.53794 63.546000 Cu 0.143532 0.537137 1 8 63.546 0.0237075 -3.5338 63.546000 Cu 0.0692919 0.473073 1.2248e-16 754 63.546 0.0243134 -3.53719 63.546000 Cu 0.0371532 0.489669 0.5 756 63.546 0.0109535 -3.53872 63.546000 Cu 0.103961 0.489249 0.5 798 63.546 0.0148981 -3.5364 63.546000 Cu 0.13571 0.472835 3.06679e-16 799 63.546 0.0628869 -3.52064 63.546000 Cu 0.00268204 0.473283 6.74719e-17 753 63.546 0.0192654 -3.53909 63.546000 Cu 0.171222 0.488372 0.5 802 63.546 0.439209 -3.48765 63.546000 Cu 0.175286 0.519991 0.5 2 63.546 0.136158 -3.51691 63.546000 Cu 0.207107 0.502231 9.28787e-17 184 63.546 0.596776 -3.44972 63.546000 Cu 0.21083 0.533924 1 185 63.546 0.0908364 -3.50639 63.546000 Cu 0.276392 0.528212 1 187 63.546 0.0583776 -3.53409 63.546000 Cu 0.202224 0.471677 2.452e-16 800 63.546 5.54221 -3.26189 63.546000 Cu 0.238751 0.479318 0.5 806 63.546 5.36709 -3.43447 63.546000 Cu 0.242092 0.513904 0.5 836 63.546 0.113241 -3.51192 63.546000 Cu 0.271863 0.493686 3.5953e-19 837 63.546 0.275627 -3.5063 63.546000 Cu 0.302214 0.474082 0.5 839 63.546 0.273277 -3.50413 63.546000 Cu 0.30685 0.509145 0.5 840 63.546 0.077389 -3.52689 63.546000 Cu 0.337342 0.490977 1 838 63.546 0.0423034 -3.52884 63.546000 Cu 0.474219 0.523248 7.45426e-17 92 63.546 0.00174199 -3.53696 63.546000 Cu 0.438915 0.506858 0.5 94 63.546 0.00458407 -3.53622 63.546000 Cu 0.341823 0.525225 1 134 63.546 0.0226095 -3.53505 63.546000 Cu 0.372585 0.507533 0.5 135 63.546 0.0100799 -3.53301 63.546000 Cu 0.407844 0.52397 1 137 63.546 0.0035786 -3.53591 63.546000 Cu 0.368929 0.473629 0.5 844 63.546 0.0332951 -3.53058 63.546000 Cu 0.403813 0.490319 1.19843e-19 867 63.546 0.0115537 -3.53525 63.546000 Cu 0.470475 0.489993 1 868 63.546 0.0100602 -3.53791 63.546000 Cu 0.435908 0.473437 0.5 869 63.546 0.0208581 -3.53848 63.546000 Cu 0.502682 0.473283 0.5 873 63.546 0.0192654 -3.53909 63.546000 Cu 0.607851 0.521675 1 58 63.546 0.00625633 -3.53726 63.546000 Cu 0.639437 0.504926 0.5 59 63.546 0.0252528 -3.53076 63.546000 Cu 0.5723 0.50582 0.5 60 63.546 0.00475781 -3.53814 63.546000 Cu 0.643532 0.537137 0.5 64 63.546 0.0237075 -3.5338 63.546000 Cu 0.505508 0.506392 0.5 93 63.546 0.00420373 -3.53779 63.546000 Cu 0.540866 0.52258 1 95 63.546 0.00221498 -3.53794 63.546000 Cu 0.537153 0.489669 1 889 63.546 0.0109535 -3.53872 63.546000 Cu 0.603961 0.489249 0 890 63.546 0.0148981 -3.5364 63.546000 Cu 0.569292 0.473073 0.5 891 63.546 0.0243134 -3.53719 63.546000 Cu 0.63571 0.472835 0.5 895 63.546 0.0628869 -3.52064 63.546000 Cu 0.671222 0.488372 0 454 63.546 0.439209 -3.48765 63.546000 Cu 0.771863 0.493686 0.5 31 63.546 0.275627 -3.5063 63.546000 Cu 0.707107 0.502231 0.5 32 63.546 0.596776 -3.44972 63.546000 Cu 0.776392 0.528212 0.5 36 63.546 0.0583776 -3.53409 63.546000 Cu 0.675286 0.519991 2.12602e-16 61 63.546 0.136158 -3.51691 63.546000 Cu 0.71083 0.533924 0.5 63 63.546 0.0908364 -3.50639 63.546000 Cu 0.738751 0.479318 6.3517e-18 136 63.546 5.36709 -3.43447 63.546000 Cu 0.702224 0.471677 0.5 186 63.546 5.54221 -3.26189 63.546000 Cu 0.742092 0.513904 4.29759e-16 411 63.546 0.113241 -3.51192 63.546000 Cu 0.802214 0.474082 0 640 63.546 0.273277 -3.50413 63.546000 Cu 0.80685 0.509145 1 697 63.546 0.077389 -3.52689 63.546000 Cu 0.837342 0.490977 0.5 698 63.546 0.0423034 -3.52884 63.546000 Cu 0.872585 0.507533 2.4496e-16 13 63.546 0.0100799 -3.53301 63.546000 Cu 0.938915 0.506858 2.4508e-16 14 63.546 0.00458407 -3.53622 63.546000 Cu 0.974219 0.523248 0.5 16 63.546 0.00174199 -3.53696 63.546000 Cu 0.907844 0.52397 0.5 17 63.546 0.0035786 -3.53591 63.546000 Cu 0.841823 0.525225 0.5 35 63.546 0.0226095 -3.53505 63.546000 Cu 0.868929 0.473629 2.94815e-17 699 63.546 0.0332951 -3.53058 63.546000 Cu 0.935908 0.473437 0 700 63.546 0.0208581 -3.53848 63.546000 Cu 0.903813 0.490319 0.5 702 63.546 0.0115537 -3.53525 63.546000 Cu 0.970475 0.489993 0.5 752 63.546 0.0100602 -3.53791 63.546000 Cu 0.076436 0.538538 1 5 63.546 0.00263689 -3.5381 63.546000 Cu 0.147703 0.569566 1 9 63.546 0.0138926 -3.53549 63.546000 Cu 0.112075 0.554227 0.5 11 63.546 0.00653555 -3.53708 63.546000 Cu 0.00967837 0.539475 1 18 63.546 0.000980095 -3.53775 63.546000 Cu 0.014083 0.572591 1 19 63.546 0.000834677 -3.53873 63.546000 Cu 0.0451966 0.555511 0.5 20 63.546 0.00138446 -3.53851 63.546000 Cu 0.0807743 0.571332 3.5953e-19 22 63.546 0.00254751 -3.53834 63.546000 Cu 0.0852344 0.604215 1 23 63.546 0.00218318 -3.53904 63.546000 Cu 0.116384 0.586899 0.5 24 63.546 0.00473487 -3.538 63.546000 Cu 0.0496211 0.588498 0.5 25 63.546 0.00141442 -3.53894 63.546000 Cu 0.151998 0.602205 1 26 63.546 0.00688008 -3.53749 63.546000 Cu 0.018658 0.605732 3.5953e-19 45 63.546 0.000679943 -3.53883 63.546000 Cu 0.179221 0.552041 0.5 10 63.546 0.0424788 -3.52837 63.546000 Cu 0.183295 0.58452 0.5 12 63.546 0.0143965 -3.53396 63.546000 Cu 0.280628 0.562116 3.94285e-17 188 63.546 0.0164083 -3.53801 63.546000 Cu 0.311263 0.543468 0.5 189 63.546 0.0281061 -3.53792 63.546000 Cu 0.245828 0.547481 0.5 190 63.546 0.0205032 -3.53223 63.546000 Cu 0.315619 0.577344 0.5 194 63.546 0.0110267 -3.5395 63.546000 Cu 0.214659 0.566416 1 242 63.546 0.0184735 -3.52896 63.546000 Cu 0.218685 0.59923 1 243 63.546 0.00469441 -3.53525 63.546000 Cu 0.249771 0.580793 0.5 244 63.546 0.0050275 -3.53663 63.546000 Cu 0.284847 0.595676 1 245 63.546 0.00575397 -3.53938 63.546000 Cu 0.320034 0.610932 0.5 247 63.546 0.00522578 -3.54 63.546000 Cu 0.25397 0.614018 0.5 248 63.546 0.00151564 -3.53846 63.546000 Cu 0.412278 0.557557 1.2248e-16 138 63.546 0.00332792 -3.53773 63.546000 Cu 0.443203 0.540291 0.5 139 63.546 0.00137954 -3.53715 63.546000 Cu 0.377004 0.541389 0.5 140 63.546 0.00795868 -3.53666 63.546000 Cu 0.478601 0.556505 3.54737e-17 141 63.546 0.000707544 -3.53801 63.546000 Cu 0.483083 0.589767 1 142 63.546 0.00077475 -3.53852 63.546000 Cu 0.44766 0.573693 0.5 144 63.546 0.00131778 -3.53824 63.546000 Cu 0.346324 0.559193 1.2272e-16 191 63.546 0.0121671 -3.5384 63.546000 Cu 0.350771 0.592912 0 192 63.546 0.00659266 -3.53954 63.546000 Cu 0.381509 0.575107 0.5 193 63.546 0.00509665 -3.53863 63.546000 Cu 0.416826 0.591087 0 195 63.546 0.00218711 -3.53893 63.546000 Cu 0.452288 0.607077 0.5 197 63.546 0.000738274 -3.53884 63.546000 Cu 0.386077 0.608675 0.5 198 63.546 0.00328638 -3.53946 63.546000 Cu 0.576436 0.538538 0.5 97 63.546 0.00263689 -3.5381 63.546000 Cu 0.545197 0.555511 1 96 63.546 0.00138446 -3.53851 63.546000 Cu 0.509678 0.539475 0.5 98 63.546 0.000980095 -3.53775 63.546000 Cu 0.612075 0.554227 4.47016e-17 99 63.546 0.00653555 -3.53708 63.546000 Cu 0.616384 0.586899 0 100 63.546 0.00473487 -3.538 63.546000 Cu 0.647703 0.569566 0.5 101 63.546 0.0138926 -3.53549 63.546000 Cu 0.580774 0.571332 0.5 102 63.546 0.00254751 -3.53834 63.546000 Cu 0.651998 0.602205 0.5 106 63.546 0.00688008 -3.53749 63.546000 Cu 0.514083 0.572591 0.5 143 63.546 0.000834677 -3.53873 63.546000 Cu 0.549621 0.588498 4.03872e-17 145 63.546 0.00141442 -3.53894 63.546000 Cu 0.585234 0.604215 0.5 147 63.546 0.00218318 -3.53904 63.546000 Cu 0.518658 0.605732 0.5 148 63.546 0.000679943 -3.53883 63.546000 Cu 0.811263 0.543468 1.41415e-16 34 63.546 0.0281061 -3.53792 63.546000 Cu 0.679221 0.552041 6.33972e-17 62 63.546 0.0424788 -3.52837 63.546000 Cu 0.745828 0.547481 2.4484e-16 65 63.546 0.0205032 -3.53223 63.546000 Cu 0.749771 0.580793 1 66 63.546 0.0050275 -3.53663 63.546000 Cu 0.780628 0.562116 0.5 67 63.546 0.0164083 -3.53801 63.546000 Cu 0.714659 0.566416 0.5 68 63.546 0.0184735 -3.52896 63.546000 Cu 0.815619 0.577344 2.39687e-19 69 63.546 0.0110267 -3.5395 63.546000 Cu 0.820034 0.610932 1.19843e-19 70 63.546 0.00522578 -3.54 63.546000 Cu 0.784847 0.595676 0.5 72 63.546 0.00575397 -3.53938 63.546000 Cu 0.683295 0.58452 1 103 63.546 0.0143965 -3.53396 63.546000 Cu 0.718685 0.59923 0.5 105 63.546 0.00469441 -3.53525 63.546000 Cu 0.75397 0.614018 1 107 63.546 0.00151564 -3.53846 63.546000 Cu 0.943203 0.540291 1 15 63.546 0.00137954 -3.53715 63.546000 Cu 0.978601 0.556505 0.5 21 63.546 0.000707544 -3.53801 63.546000 Cu 0.877004 0.541389 0 37 63.546 0.00795868 -3.53666 63.546000 Cu 0.881509 0.575107 1 38 63.546 0.00509665 -3.53863 63.546000 Cu 0.912278 0.557557 0.5 39 63.546 0.00332792 -3.53773 63.546000 Cu 0.846324 0.559193 0.5 40 63.546 0.0121671 -3.5384 63.546000 Cu 0.94766 0.573693 3.5953e-19 41 63.546 0.00131778 -3.53824 63.546000 Cu 0.952288 0.607077 1 42 63.546 0.000738274 -3.53884 63.546000 Cu 0.983083 0.589767 0.5 43 63.546 0.00077475 -3.53852 63.546000 Cu 0.916826 0.591087 0.5 44 63.546 0.00218711 -3.53893 63.546000 Cu 0.850771 0.592912 0.5 71 63.546 0.00659266 -3.53954 63.546000 Cu 0.886077 0.608675 1.2284e-16 73 63.546 0.00328638 -3.53946 63.546000 Cu 0.120865 0.619742 0.5 29 63.546 0.00361008 -3.53892 63.546000 Cu 0.0234366 0.638903 1.19843e-19 46 63.546 0.000424406 -3.53908 63.546000 Cu 0.0542748 0.621544 0.5 47 63.546 0.000979104 -3.53907 63.546000 Cu 0.0899173 0.637216 8.14935e-18 49 63.546 0.0018528 -3.53936 63.546000 Cu 0.0947356 0.670317 1.86596e-16 50 63.546 0.00187436 -3.53948 63.546000 Cu 0.125574 0.652712 0.5 51 63.546 0.00242024 -3.5393 63.546000 Cu 0.0590812 0.654668 0.5 52 63.546 0.000932467 -3.53951 63.546000 Cu 0.130383 0.685797 0.5 56 63.546 0.00197967 -3.53961 63.546000 Cu 0.0283583 0.672116 1 81 63.546 0.000357001 -3.53927 63.546000 Cu 0.0640264 0.687853 0.5 83 63.546 0.000893365 -3.53915 63.546000 Cu 0.156466 0.635049 3.5953e-19 27 63.546 0.00366228 -3.53854 63.546000 Cu 0.161177 0.668036 1 53 63.546 0.00204592 -3.53928 63.546000 Cu 0.187559 0.617263 0.5 28 63.546 0.00480702 -3.53708 63.546000 Cu 0.192065 0.650186 0.5 30 63.546 0.00192765 -3.53855 63.546000 Cu 0.196763 0.683222 0.5 55 63.546 0.000932269 -3.53917 63.546000 Cu 0.289273 0.629051 1 246 63.546 0.0025569 -3.53967 63.546000 Cu 0.223015 0.632193 1.55796e-17 296 63.546 0.00116077 -3.53777 63.546000 Cu 0.227602 0.665232 1 297 63.546 0.0002191 -3.53896 63.546000 Cu 0.25843 0.647172 0.5 298 63.546 0.000589419 -3.53889 63.546000 Cu 0.293904 0.662294 2.4508e-16 299 63.546 0.00160639 -3.53958 63.546000 Cu 0.263126 0.680298 0.5 302 63.546 0.000415266 -3.53924 63.546000 Cu 0.324646 0.64433 0.5 252 63.546 0.00289942 -3.54012 63.546000 Cu 0.329416 0.677587 0.5 301 63.546 0.00237117 -3.53974 63.546000 Cu 0.421537 0.624527 2.452e-16 196 63.546 0.00130152 -3.53906 63.546000 Cu 0.487821 0.623031 1 199 63.546 0.000260727 -3.53872 63.546000 Cu 0.457081 0.640408 0.5 202 63.546 0.000368255 -3.53878 63.546000 Cu 0.355387 0.626431 2.18115e-16 249 63.546 0.00379425 -3.54 63.546000 Cu 0.360141 0.659804 1 250 63.546 0.00233686 -3.53996 63.546000 Cu 0.390846 0.642098 0.5 251 63.546 0.00218524 -3.53957 63.546000 Cu 0.426387 0.657879 1.226e-16 253 63.546 0.000804647 -3.53919 63.546000 Cu 0.462001 0.673717 0.5 255 63.546 0.00012098 -3.5393 63.546000 Cu 0.395707 0.675429 0.5 256 63.546 0.00152236 -3.5397 63.546000 Cu 0.492676 0.656286 2.26504e-17 200 63.546 0.000155056 -3.53914 63.546000 Cu 0.497677 0.68956 7.74189e-17 257 63.546 5.19212e-05 -3.53931 63.546000 Cu 0.431324 0.691186 6.15995e-17 254 63.546 0.000451466 -3.53946 63.546000 Cu 0.554275 0.621544 2.95174e-16 146 63.546 0.000979104 -3.53907 63.546000 Cu 0.620865 0.619742 0 149 63.546 0.00361008 -3.53892 63.546000 Cu 0.625574 0.652712 1.28352e-16 150 63.546 0.00242024 -3.5393 63.546000 Cu 0.589917 0.637216 0.5 152 63.546 0.0018528 -3.53936 63.546000 Cu 0.523437 0.638903 0.5 201 63.546 0.000424406 -3.53908 63.546000 Cu 0.559081 0.654668 2.4472e-16 203 63.546 0.000932467 -3.53951 63.546000 Cu 0.564026 0.687853 2.86905e-16 204 63.546 0.000893365 -3.53915 63.546000 Cu 0.594736 0.670317 0.5 205 63.546 0.00187436 -3.53948 63.546000 Cu 0.528358 0.672116 0.5 206 63.546 0.000357001 -3.53927 63.546000 Cu 0.630383 0.685797 1 207 63.546 0.00197967 -3.53961 63.546000 Cu 0.656466 0.635049 0.5 151 63.546 0.00366228 -3.53854 63.546000 Cu 0.661177 0.668036 0.5 156 63.546 0.00204592 -3.53928 63.546000 Cu 0.687559 0.617263 0 104 63.546 0.00480702 -3.53708 63.546000 Cu 0.75843 0.647172 1.19843e-19 108 63.546 0.000589419 -3.53889 63.546000 Cu 0.789273 0.629051 0.5 109 63.546 0.0025569 -3.53967 63.546000 Cu 0.723015 0.632193 0.5 110 63.546 0.00116077 -3.53777 63.546000 Cu 0.793904 0.662294 0.5 114 63.546 0.00160639 -3.53958 63.546000 Cu 0.692065 0.650186 1.2272e-16 153 63.546 0.00192765 -3.53855 63.546000 Cu 0.696763 0.683222 1 154 63.546 0.000932269 -3.53917 63.546000 Cu 0.727602 0.665232 0.5 155 63.546 0.0002191 -3.53896 63.546000 Cu 0.763126 0.680298 1 157 63.546 0.000415266 -3.53924 63.546000 Cu 0.824646 0.64433 1.19843e-19 111 63.546 0.00289942 -3.54012 63.546000 Cu 0.829416 0.677587 1.19843e-19 112 63.546 0.00237117 -3.53974 63.546000 Cu 0.992676 0.656286 0.5 79 63.546 0.000155056 -3.53914 63.546000 Cu 0.997677 0.68956 0.5 84 63.546 5.19212e-05 -3.53931 63.546000 Cu 0.987821 0.623031 0.5 48 63.546 0.000260727 -3.53872 63.546000 Cu 0.890846 0.642098 1.19843e-19 74 63.546 0.00218524 -3.53957 63.546000 Cu 0.921537 0.624527 0.5 75 63.546 0.00130152 -3.53906 63.546000 Cu 0.855387 0.626431 0.5 76 63.546 0.00379425 -3.54 63.546000 Cu 0.957081 0.640408 1 77 63.546 0.000368255 -3.53878 63.546000 Cu 0.962001 0.673717 1 78 63.546 0.00012098 -3.5393 63.546000 Cu 0.926387 0.657879 0.5 80 63.546 0.000804647 -3.53919 63.546000 Cu 0.860141 0.659804 0.5 113 63.546 0.00233686 -3.53996 63.546000 Cu 0.895707 0.675429 1 115 63.546 0.00152236 -3.5397 63.546000 Cu 0.931324 0.691186 0.5 117 63.546 0.000451466 -3.53946 63.546000 Cu 0.0333516 0.705369 2.39687e-19 82 63.546 0.000513981 -3.5391 63.546000 Cu 0.0996529 0.703491 1 85 63.546 0.00174379 -3.53973 63.546000 Cu 0.104493 0.7368 1 86 63.546 0.00253122 -3.54016 63.546000 Cu 0.135199 0.718996 0.5 87 63.546 0.0022319 -3.53996 63.546000 Cu 0.0689479 0.721123 0.5 88 63.546 0.00127848 -3.53976 63.546000 Cu 0.139949 0.752316 0.5 91 63.546 0.00313114 -3.54019 63.546000 Cu 0.00267303 0.722829 0.5 121 63.546 0.000170217 -3.53887 63.546000 Cu 0.0382427 0.738679 4.70985e-17 123 63.546 0.000684942 -3.53942 63.546000 Cu 0.0737975 0.754504 0.5 125 63.546 0.00217969 -3.53973 63.546000 Cu 0.00755876 0.756151 0.5 126 63.546 0.0003285 -3.53882 63.546000 Cu 0.165974 0.701135 1.31348e-16 54 63.546 0.00168518 -3.53943 63.546000 Cu 0.20145 0.716323 0.5 57 63.546 0.000630464 -3.53898 63.546000 Cu 0.170683 0.734337 0 89 63.546 0.00192177 -3.53973 63.546000 Cu 0.175362 0.767638 1.19843e-18 90 63.546 0.00342801 -3.53994 63.546000 Cu 0.298636 0.695465 7.62204e-17 300 63.546 0.00145701 -3.53932 63.546000 Cu 0.23229 0.698314 2.19793e-16 342 63.546 1.56634e-05 -3.53889 63.546000 Cu 0.236942 0.731395 0 343 63.546 0.000215417 -3.5385 63.546000 Cu 0.267804 0.713383 0.5 344 63.546 0.000804755 -3.53894 63.546000 Cu 0.303379 0.728533 6.124e-17 345 63.546 0.00221563 -3.53926 63.546000 Cu 0.308104 0.761493 0 346 63.546 0.00411212 -3.53846 63.546000 Cu 0.272477 0.746404 0.5 348 63.546 0.00193446 -3.53811 63.546000 Cu 0.206134 0.749477 0.5 380 63.546 0.000861476 -3.53901 63.546000 Cu 0.241584 0.764434 1.19843e-19 381 63.546 0.00118159 -3.53769 63.546000 Cu 0.467003 0.706993 0.5 260 63.546 4.1635e-05 -3.53916 63.546000 Cu 0.364977 0.693061 1 303 63.546 0.00202139 -3.5398 63.546000 Cu 0.369883 0.726223 1.5304e-16 304 63.546 0.00195821 -3.53951 63.546000 Cu 0.400617 0.70868 0.5 305 63.546 0.00115308 -3.53951 63.546000 Cu 0.33422 0.710756 0.5 306 63.546 0.00235424 -3.53967 63.546000 Cu 0.436313 0.724422 6.78314e-17 307 63.546 0.000401088 -3.53915 63.546000 Cu 0.441226 0.757623 0 308 63.546 0.000505037 -3.53883 63.546000 Cu 0.471959 0.740254 0.5 309 63.546 0.000126208 -3.53875 63.546000 Cu 0.405546 0.741849 0.5 310 63.546 0.00113321 -3.53921 63.546000 Cu 0.339034 0.743818 0.5 347 63.546 0.0028446 -3.53934 63.546000 Cu 0.374714 0.759292 1.55557e-16 349 63.546 0.00224037 -3.53932 63.546000 Cu 0.635199 0.718996 0 208 63.546 0.0022319 -3.53996 63.546000 Cu 0.599653 0.703491 0.5 210 63.546 0.00174379 -3.53973 63.546000 Cu 0.502673 0.722829 1.54598e-17 258 63.546 0.000170217 -3.53887 63.546000 Cu 0.533352 0.705369 0.5 259 63.546 0.000513981 -3.5391 63.546000 Cu 0.568948 0.721123 0 261 63.546 0.00127848 -3.53976 63.546000 Cu 0.573798 0.754504 3.91888e-17 262 63.546 0.00217969 -3.53973 63.546000 Cu 0.604493 0.7368 0.5 263 63.546 0.00253122 -3.54016 63.546000 Cu 0.538243 0.738679 0.5 264 63.546 0.000684942 -3.53942 63.546000 Cu 0.639949 0.752316 1.2248e-16 265 63.546 0.00313114 -3.54019 63.546000 Cu 0.507559 0.756151 2.17396e-16 311 63.546 0.0003285 -3.53882 63.546000 Cu 0.665974 0.701135 0.5 209 63.546 0.00168518 -3.53943 63.546000 Cu 0.767804 0.713383 1 158 63.546 0.000804755 -3.53894 63.546000 Cu 0.798636 0.695465 0.5 159 63.546 0.00145701 -3.53932 63.546000 Cu 0.73229 0.698314 0.5 160 63.546 1.56634e-05 -3.53889 63.546000 Cu 0.803379 0.728533 0.5 164 63.546 0.00221563 -3.53926 63.546000 Cu 0.70145 0.716323 1 211 63.546 0.000630464 -3.53898 63.546000 Cu 0.706134 0.749477 1 212 63.546 0.000861476 -3.53901 63.546000 Cu 0.736942 0.731395 0.5 213 63.546 0.000215417 -3.5385 63.546000 Cu 0.670683 0.734337 0.5 214 63.546 0.00192177 -3.53973 63.546000 Cu 0.772477 0.746404 2.39687e-19 215 63.546 0.00193446 -3.53811 63.546000 Cu 0.808104 0.761493 0.5 217 63.546 0.00411212 -3.53846 63.546000 Cu 0.741584 0.764434 0.5 218 63.546 0.00118159 -3.53769 63.546000 Cu 0.675362 0.767638 0.5 267 63.546 0.00342801 -3.53994 63.546000 Cu 0.900617 0.70868 1 116 63.546 0.00115308 -3.53951 63.546000 Cu 0.864977 0.693061 0.5 118 63.546 0.00202139 -3.5398 63.546000 Cu 0.967003 0.706993 3.60729e-17 119 63.546 4.1635e-05 -3.53916 63.546000 Cu 0.971959 0.740254 1 120 63.546 0.000126208 -3.53875 63.546000 Cu 0.936313 0.724422 0.5 122 63.546 0.000401088 -3.53915 63.546000 Cu 0.83422 0.710756 1 161 63.546 0.00235424 -3.53967 63.546000 Cu 0.839034 0.743818 1 162 63.546 0.0028446 -3.53934 63.546000 Cu 0.869883 0.726223 0.5 163 63.546 0.00195821 -3.53951 63.546000 Cu 0.905546 0.741849 1 165 63.546 0.00113321 -3.53921 63.546000 Cu 0.941226 0.757623 0.5 167 63.546 0.000505037 -3.53883 63.546000 Cu 0.874714 0.759292 0.5 168 63.546 0.00224037 -3.53932 63.546000 Cu 0.0431349 0.772072 1 124 63.546 0.00121863 -3.53901 63.546000 Cu 0.109277 0.770214 1.2284e-16 127 63.546 0.00373857 -3.53969 63.546000 Cu 0.114051 0.803764 1.50284e-16 128 63.546 0.0064395 -3.5393 63.546000 Cu 0.144674 0.785762 0.5 129 63.546 0.0058642 -3.53981 63.546000 Cu 0.078643 0.787966 0.5 130 63.546 0.00314607 -3.53901 63.546000 Cu 0.149352 0.819391 0.5 133 63.546 0.0124436 -3.53969 63.546000 Cu 0.0124704 0.78952 0.5 171 63.546 0.000789602 -3.53849 63.546000 Cu 0.0480116 0.80554 1 173 63.546 0.0021278 -3.53816 63.546000 Cu 0.0529162 0.8391 0 174 63.546 0.00311232 -3.53674 63.546000 Cu 0.0834885 0.821563 0.5 175 63.546 0.00512603 -3.53807 63.546000 Cu 0.0173681 0.822915 0.5 176 63.546 0.00119129 -3.53746 63.546000 Cu 0.118852 0.837529 0 177 63.546 0.0124643 -3.53819 63.546000 Cu 0.179952 0.801043 0 131 63.546 0.0069659 -3.53952 63.546000 Cu 0.184527 0.834649 1.62867e-16 132 63.546 0.0189333 -3.53811 63.546000 Cu 0.246098 0.797428 1 382 63.546 0.00427135 -3.53597 63.546000 Cu 0.277122 0.779326 0.5 383 63.546 0.00515615 -3.53708 63.546000 Cu 0.210718 0.782677 0.5 384 63.546 0.00184122 -3.53871 63.546000 Cu 0.312764 0.794339 3.9069e-17 385 63.546 0.00802557 -3.53738 63.546000 Cu 0.317343 0.827015 2.4496e-16 386 63.546 0.0151846 -3.53599 63.546000 Cu 0.281622 0.812097 0.5 388 63.546 0.0147083 -3.53456 63.546000 Cu 0.215171 0.815933 0.5 412 63.546 0.00565187 -3.53706 63.546000 Cu 0.250444 0.830287 2.4484e-16 413 63.546 0.0168015 -3.52957 63.546000 Cu 0.286046 0.844609 0.5 415 63.546 0.0424242 -3.52897 63.546000 Cu 0.476865 0.773526 0.5 314 63.546 0.000255758 -3.53863 63.546000 Cu 0.379509 0.792293 3.6744e-16 350 63.546 0.00264047 -3.53887 63.546000 Cu 0.41042 0.774969 0.5 351 63.546 0.00124688 -3.53916 63.546000 Cu 0.3438 0.776779 0.5 352 63.546 0.00402754 -3.53884 63.546000 Cu 0.446088 0.790815 1.89233e-16 353 63.546 0.000590271 -3.53858 63.546000 Cu 0.450952 0.823974 3.76069e-16 354 63.546 0.000805009 -3.53802 63.546000 Cu 0.481747 0.80681 0.5 355 63.546 0.000451344 -3.53801 63.546000 Cu 0.415237 0.808035 0.5 356 63.546 0.00141927 -3.53849 63.546000 Cu 0.486644 0.840099 0.5 360 63.546 0.00082417 -3.53724 63.546000 Cu 0.348492 0.809624 0.5 387 63.546 0.00585699 -3.53796 63.546000 Cu 0.384272 0.825199 1.2224e-16 389 63.546 0.0031386 -3.53817 63.546000 Cu 0.420062 0.841044 0.5 391 63.546 0.00166355 -3.53784 63.546000 Cu 0.353177 0.842323 0.5 392 63.546 0.00800204 -3.53738 63.546000 Cu 0.644674 0.785762 1.2248e-16 266 63.546 0.0058642 -3.53981 63.546000 Cu 0.609277 0.770214 0.5 268 63.546 0.00373857 -3.53969 63.546000 Cu 0.51247 0.78952 3.672e-16 312 63.546 0.000789602 -3.53849 63.546000 Cu 0.543135 0.772072 0.5 313 63.546 0.00121863 -3.53901 63.546000 Cu 0.578643 0.787966 5.64463e-17 315 63.546 0.00314607 -3.53901 63.546000 Cu 0.583489 0.821563 1.2248e-16 316 63.546 0.00512603 -3.53807 63.546000 Cu 0.614051 0.803764 0.5 317 63.546 0.0064395 -3.5393 63.546000 Cu 0.548012 0.80554 0.5 318 63.546 0.0021278 -3.53816 63.546000 Cu 0.649352 0.819391 0 319 63.546 0.0124436 -3.53969 63.546000 Cu 0.618852 0.837529 0.5 322 63.546 0.0124643 -3.53819 63.546000 Cu 0.517368 0.822915 0 357 63.546 0.00119129 -3.53746 63.546000 Cu 0.552916 0.8391 0.5 359 63.546 0.00311232 -3.53674 63.546000 Cu 0.777122 0.779326 2.39687e-19 216 63.546 0.00515615 -3.53708 63.546000 Cu 0.812764 0.794339 0.5 222 63.546 0.00802557 -3.53738 63.546000 Cu 0.710718 0.782677 1 269 63.546 0.00184122 -3.53871 63.546000 Cu 0.715171 0.815933 1 270 63.546 0.00565187 -3.53706 63.546000 Cu 0.746098 0.797428 0.5 271 63.546 0.00427135 -3.53597 63.546000 Cu 0.679952 0.801043 0.5 272 63.546 0.0069659 -3.53952 63.546000 Cu 0.781622 0.812097 1 273 63.546 0.0147083 -3.53456 63.546000 Cu 0.817343 0.827015 0.5 275 63.546 0.0151846 -3.53599 63.546000 Cu 0.750444 0.830287 0.5 276 63.546 0.0168015 -3.52957 63.546000 Cu 0.684527 0.834649 0.5 321 63.546 0.0189333 -3.53811 63.546000 Cu 0.786046 0.844609 1 274 63.546 0.0424242 -3.52897 63.546000 Cu 0.91042 0.774969 1 166 63.546 0.00124688 -3.53916 63.546000 Cu 0.976865 0.773526 1.19843e-19 169 63.546 0.000255758 -3.53863 63.546000 Cu 0.981747 0.80681 1 170 63.546 0.000451344 -3.53801 63.546000 Cu 0.946088 0.790815 0.5 172 63.546 0.000590271 -3.53858 63.546000 Cu 0.8438 0.776779 1.27034e-17 219 63.546 0.00402754 -3.53884 63.546000 Cu 0.848492 0.809624 0 220 63.546 0.00585699 -3.53796 63.546000 Cu 0.879509 0.792293 0.5 221 63.546 0.00264047 -3.53887 63.546000 Cu 0.915237 0.808035 0 223 63.546 0.00141927 -3.53849 63.546000 Cu 0.920062 0.841044 1.49325e-16 224 63.546 0.00166355 -3.53784 63.546000 Cu 0.950952 0.823974 0.5 225 63.546 0.000805009 -3.53802 63.546000 Cu 0.884272 0.825199 0.5 226 63.546 0.0031386 -3.53817 63.546000 Cu 0.986644 0.840099 1 227 63.546 0.00082417 -3.53724 63.546000 Cu 0.853177 0.842323 1.19843e-19 277 63.546 0.00800204 -3.53738 63.546000 Cu 0.123712 0.871547 2.18115e-17 178 63.546 0.0235974 -3.5344 63.546000 Cu 0.154078 0.853307 0.5 179 63.546 0.0310689 -3.53779 63.546000 Cu 0.0883606 0.855324 0.5 180 63.546 0.00767635 -3.53586 63.546000 Cu 0.0222446 0.856364 0.5 229 63.546 0.00169199 -3.53633 63.546000 Cu 0.0577519 0.872752 1 231 63.546 0.00403984 -3.53506 63.546000 Cu 0.062109 0.906447 0 232 63.546 0.0114089 -3.53422 63.546000 Cu 0.0931331 0.889241 0.5 233 63.546 0.0104379 -3.53201 63.546000 Cu 0.0268444 0.88986 0.5 234 63.546 0.00432975 -3.5353 63.546000 Cu 0.128554 0.905824 0 235 63.546 0.0439473 -3.52804 63.546000 Cu 0.158854 0.887643 0.5 183 63.546 0.0808796 -3.52678 63.546000 Cu 0.163911 0.922692 0.5 237 63.546 0.278461 -3.50452 63.546000 Cu 0.189119 0.86856 1 181 63.546 0.06043 -3.5341 63.546000 Cu 0.194049 0.903061 1 182 63.546 0.269275 -3.50617 63.546000 Cu 0.254663 0.86281 3.6732e-16 414 63.546 0.083502 -3.50876 63.546000 Cu 0.219495 0.849256 0.5 416 63.546 0.0198848 -3.53238 63.546000 Cu 0.321891 0.859472 0 417 63.546 0.0248508 -3.53418 63.546000 Cu 0.290402 0.876701 0.5 420 63.546 0.130821 -3.5183 63.546000 Cu 0.223635 0.882821 0.5 434 63.546 0.104225 -3.51379 63.546000 Cu 0.258788 0.894562 1 435 63.546 0.548782 -3.45445 63.546000 Cu 0.294865 0.908367 0.5 437 63.546 0.417586 -3.48914 63.546000 Cu 0.227445 0.91734 0.5 438 63.546 5.38677 -3.43667 63.546000 Cu 0.326395 0.89171 0 418 63.546 0.0268485 -3.53131 63.546000 Cu 0.389024 0.858008 3.6756e-16 390 63.546 0.00359402 -3.5376 63.546000 Cu 0.45579 0.857117 0 393 63.546 0.00130466 -3.53723 63.546000 Cu 0.460303 0.890251 1 394 63.546 0.00439493 -3.537 63.546000 Cu 0.491393 0.873401 0.5 395 63.546 0.00177611 -3.53656 63.546000 Cu 0.424759 0.873996 0.5 396 63.546 0.00253563 -3.53729 63.546000 Cu 0.357783 0.874885 0.5 419 63.546 0.00793767 -3.53733 63.546000 Cu 0.393529 0.890737 5.83638e-17 421 63.546 0.00582579 -3.53775 63.546000 Cu 0.428838 0.906941 0.5 423 63.546 0.010962 -3.53802 63.546000 Cu 0.36207 0.907351 0.5 424 63.546 0.0162652 -3.5367 63.546000 Cu 0.495486 0.906707 0.5 400 63.546 0.0101668 -3.537 63.546000 Cu 0.654078 0.853307 1.226e-16 320 63.546 0.0310689 -3.53779 63.546000 Cu 0.522245 0.856364 0 358 63.546 0.00169199 -3.53633 63.546000 Cu 0.588361 0.855324 1.41295e-16 361 63.546 0.00767635 -3.53586 63.546000 Cu 0.593133 0.889241 2.20272e-16 362 63.546 0.0104379 -3.53201 63.546000 Cu 0.623712 0.871547 0.5 363 63.546 0.0235974 -3.5344 63.546000 Cu 0.557752 0.872752 0.5 364 63.546 0.00403984 -3.53506 63.546000 Cu 0.628554 0.905824 0.5 368 63.546 0.0439473 -3.52804 63.546000 Cu 0.526844 0.88986 1.55317e-16 397 63.546 0.00432975 -3.5353 63.546000 Cu 0.562109 0.906447 0.5 399 63.546 0.0114089 -3.53422 63.546000 Cu 0.658854 0.887643 0 365 63.546 0.0808796 -3.52678 63.546000 Cu 0.663911 0.922692 1.2248e-16 366 63.546 0.278461 -3.50452 63.546000 Cu 0.821891 0.859472 0.5 280 63.546 0.0248508 -3.53418 63.546000 Cu 0.719495 0.849256 3.5953e-19 323 63.546 0.0198848 -3.53238 63.546000 Cu 0.723635 0.882821 1 324 63.546 0.104225 -3.51379 63.546000 Cu 0.754663 0.86281 0.5 325 63.546 0.083502 -3.50876 63.546000 Cu 0.689119 0.86856 0.5 326 63.546 0.06043 -3.5341 63.546000 Cu 0.790402 0.876701 1.19843e-19 327 63.546 0.130821 -3.5183 63.546000 Cu 0.794865 0.908367 4.16576e-16 328 63.546 0.417586 -3.48914 63.546000 Cu 0.758788 0.894562 0.5 330 63.546 0.548782 -3.45445 63.546000 Cu 0.694049 0.903061 0.5 367 63.546 0.269275 -3.50617 63.546000 Cu 0.727445 0.91734 4.50491e-16 369 63.546 5.38677 -3.43667 63.546000 Cu 0.826395 0.89171 0.5 329 63.546 0.0268485 -3.53131 63.546000 Cu 0.995486 0.906707 0 285 63.546 0.0101668 -3.537 63.546000 Cu 0.991393 0.873401 1 228 63.546 0.00177611 -3.53656 63.546000 Cu 0.95579 0.857117 0.5 230 63.546 0.00130466 -3.53723 63.546000 Cu 0.857783 0.874885 1 278 63.546 0.00793767 -3.53733 63.546000 Cu 0.889024 0.858008 0.5 279 63.546 0.00359402 -3.5376 63.546000 Cu 0.924759 0.873996 1 281 63.546 0.00253563 -3.53729 63.546000 Cu 0.928838 0.906941 1 282 63.546 0.010962 -3.53802 63.546000 Cu 0.960303 0.890251 0.5 283 63.546 0.00439493 -3.537 63.546000 Cu 0.893529 0.890737 0.5 284 63.546 0.00582579 -3.53775 63.546000 Cu 0.86207 0.907351 1.226e-16 331 63.546 0.0162652 -3.5367 63.546000 Cu 0.0971641 0.923179 0.5 238 63.546 0.033529 -3.52973 63.546000 Cu 0.0302165 0.923322 0.5 287 63.546 0.0213124 -3.53803 63.546000 Cu 0.131951 0.94007 1.77368e-16 236 63.546 0.1219 -3.52267 63.546000 Cu 0.0643394 0.940065 0 289 63.546 0.0383396 -3.53979 63.546000 Cu 0.0622279 0.973686 1.47407e-17 290 63.546 0.0101146 -3.53474 63.546000 Cu 0.0972019 0.956962 0.5 291 63.546 0.0314314 -3.52959 63.546000 Cu 0.0302477 0.956755 0.5 292 63.546 0.0198773 -3.53852 63.546000 Cu 0.128668 0.974323 1.226e-16 293 63.546 0.0410819 -3.52788 63.546000 Cu 0.0933629 0.990904 0.5 295 63.546 0.00946114 -3.53239 63.546000 Cu 0.0270411 0.990233 0.5 340 63.546 0.00334379 -3.53603 63.546000 Cu 0.163932 0.957415 0.5 241 63.546 0.272226 -3.50396 63.546000 Cu 0.159106 0.992494 0.5 294 63.546 0.0783145 -3.52614 63.546000 Cu 0.201406 0.940004 1.2272e-16 239 63.546 4.17662 -3.57857 63.546000 Cu 0.194163 0.977024 3.6756e-16 240 63.546 0.267924 -3.50595 63.546000 Cu 0.263969 0.925159 1 436 63.546 5.4994 -3.26824 63.546000 Cu 0.296913 0.939985 0.5 442 63.546 3.11123 -3.45735 63.546000 Cu 0.227446 0.962645 0.5 448 63.546 5.38155 -3.43568 63.546000 Cu 0.26395 0.954853 3.27892e-16 449 63.546 5.51712 -3.26712 63.546000 Cu 0.258905 0.985432 2.09606e-16 450 63.546 0.55197 -3.45396 63.546000 Cu 0.294901 0.971599 0.5 451 63.546 0.420485 -3.48858 63.546000 Cu 0.223848 0.997245 0.5 452 63.546 0.105271 -3.51314 63.546000 Cu 0.330524 0.92384 2.7564e-17 439 63.546 0.0634801 -3.52156 63.546000 Cu 0.330554 0.956085 1.2248e-16 440 63.546 0.062177 -3.52162 63.546000 Cu 0.326533 0.988214 1.2236e-16 453 63.546 0.0252375 -3.53116 63.546000 Cu 0.396913 0.923525 0 422 63.546 0.0249146 -3.53725 63.546000 Cu 0.463466 0.923391 8.32912e-17 425 63.546 0.019036 -3.53871 63.546000 Cu 0.463494 0.95657 0 426 63.546 0.018047 -3.53925 63.546000 Cu 0.430599 0.939957 0.5 428 63.546 0.0219693 -3.54028 63.546000 Cu 0.364008 0.939954 0.5 441 63.546 0.0256665 -3.53981 63.546000 Cu 0.396918 0.95638 1 443 63.546 0.0226771 -3.53724 63.546000 Cu 0.393687 0.989172 1 444 63.546 0.00460775 -3.53808 63.546000 Cu 0.428906 0.972988 0.5 445 63.546 0.00947795 -3.53856 63.546000 Cu 0.362147 0.972555 0.5 446 63.546 0.0147529 -3.53666 63.546000 Cu 0.460467 0.989724 4.29039e-17 447 63.546 0.00327923 -3.53771 63.546000 Cu 0.497295 0.940011 0.5 427 63.546 0.0234721 -3.54045 63.546000 Cu 0.49557 0.973321 0.5 432 63.546 0.00879886 -3.53788 63.546000 Cu 0.530217 0.923322 1 398 63.546 0.0213124 -3.53803 63.546000 Cu 0.597164 0.923179 0 401 63.546 0.033529 -3.52973 63.546000 Cu 0.597202 0.956962 1.226e-16 402 63.546 0.0314314 -3.52959 63.546000 Cu 0.631951 0.94007 0.5 403 63.546 0.1219 -3.52267 63.546000 Cu 0.564339 0.940065 0.5 404 63.546 0.0383396 -3.53979 63.546000 Cu 0.628668 0.974323 0.5 408 63.546 0.0410819 -3.52788 63.546000 Cu 0.530248 0.956755 1.71376e-17 429 63.546 0.0198773 -3.53852 63.546000 Cu 0.527041 0.990233 0 430 63.546 0.00334379 -3.53603 63.546000 Cu 0.562228 0.973686 0.5 431 63.546 0.0101146 -3.53474 63.546000 Cu 0.593363 0.990904 0 433 63.546 0.00946114 -3.53239 63.546000 Cu 0.663932 0.957415 1 405 63.546 0.272226 -3.50396 63.546000 Cu 0.659106 0.992494 0 406 63.546 0.0783145 -3.52614 63.546000 Cu 0.727446 0.962645 2.4484e-16 370 63.546 5.38155 -3.43568 63.546000 Cu 0.763969 0.925159 0.5 371 63.546 5.4994 -3.26824 63.546000 Cu 0.701406 0.940004 0.5 372 63.546 4.17662 -3.57857 63.546000 Cu 0.796913 0.939985 6.1204e-16 373 63.546 3.11123 -3.45735 63.546000 Cu 0.794901 0.971599 2.20991e-16 374 63.546 0.420485 -3.48858 63.546000 Cu 0.76395 0.954853 0.5 376 63.546 5.51712 -3.26712 63.546000 Cu 0.694163 0.977024 0.5 407 63.546 0.267924 -3.50595 63.546000 Cu 0.723848 0.997245 1.71616e-16 409 63.546 0.105271 -3.51314 63.546000 Cu 0.758905 0.985432 0.5 410 63.546 0.55197 -3.45396 63.546000 Cu 0.830524 0.92384 0.5 334 63.546 0.0634801 -3.52156 63.546000 Cu 0.830554 0.956085 0.5 375 63.546 0.062177 -3.52162 63.546000 Cu 0.826533 0.988214 0.5 379 63.546 0.0252375 -3.53116 63.546000 Cu 0.997295 0.940011 1.19843e-19 286 63.546 0.0234721 -3.54045 63.546000 Cu 0.99557 0.973321 0 339 63.546 0.00879886 -3.53788 63.546000 Cu 0.963466 0.923391 0.5 288 63.546 0.019036 -3.53871 63.546000 Cu 0.864008 0.939954 1.59392e-16 332 63.546 0.0256665 -3.53981 63.546000 Cu 0.896913 0.923525 0.5 333 63.546 0.0249146 -3.53725 63.546000 Cu 0.930599 0.939957 1.90551e-17 335 63.546 0.0219693 -3.54028 63.546000 Cu 0.928906 0.972988 0 336 63.546 0.00947795 -3.53856 63.546000 Cu 0.963494 0.95657 0.5 337 63.546 0.018047 -3.53925 63.546000 Cu 0.896918 0.95638 0.5 338 63.546 0.0226771 -3.53724 63.546000 Cu 0.960467 0.989724 0.5 341 63.546 0.00327923 -3.53771 63.546000 Cu 0.862147 0.972555 1.226e-16 377 63.546 0.0147529 -3.53666 63.546000 Cu 0.893687 0.989172 0.5 378 63.546 0.00460775 -3.53808