Number of particles = 972 A = 1 Angstrom (basic length-scale) H0(1,1) = 28.2044 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 112.891 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61016 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 0.0374079 0.0258299 1.22651e-16 498 63.546 0.0151456 -3.5349 63.546000 Cu 0.0424023 0.0030862 1 501 63.546 0.0961333 -3.5369 63.546000 Cu 0.086293 0.0145162 0.5 503 63.546 0.0568096 -3.53369 63.546000 Cu 0.134574 0.00305371 1 502 63.546 0.215241 -3.52151 63.546000 Cu 0.127975 0.0262411 1.48358e-16 515 63.546 0.0958915 -3.52469 63.546000 Cu 0.177466 0.0147424 0.5 517 63.546 0.554567 -3.48871 63.546000 Cu 0.230136 0.00300015 0 519 63.546 5.23284 -3.37723 63.546000 Cu 0.215897 0.0286672 1 516 63.546 0.269659 -3.48589 63.546000 Cu 0.263334 0.0196149 0.5 521 63.546 5.51461 -3.36632 63.546000 Cu 0.314544 0.0132712 1 520 63.546 7.13818 -3.37679 63.546000 Cu 0.362035 0.0030475 0.5 522 63.546 3.80571 -3.45006 63.546000 Cu 0.355339 0.0247228 0.5 543 63.546 0.266063 -3.51514 63.546000 Cu 0.404925 0.0142205 1.22651e-16 545 63.546 0.085936 -3.53214 63.546000 Cu 0.495312 0.014372 5.94633e-18 546 63.546 0.0505585 -3.5371 63.546000 Cu 0.451212 0.00308813 0.5 547 63.546 0.0719333 -3.53713 63.546000 Cu 0.446662 0.0255151 0.5 548 63.546 0.0230065 -3.53398 63.546000 Cu 0.542402 0.0030862 0.5 549 63.546 0.0961333 -3.5369 63.546000 Cu 0.537408 0.0258299 0.5 577 63.546 0.0151456 -3.5349 63.546000 Cu 0.586293 0.0145162 5.94633e-18 579 63.546 0.0568096 -3.53369 63.546000 Cu 0.634574 0.00305371 0.5 581 63.546 0.215241 -3.52151 63.546000 Cu 0.627975 0.0262411 0.5 582 63.546 0.0958915 -3.52469 63.546000 Cu 0.677466 0.0147424 0 580 63.546 0.554567 -3.48871 63.546000 Cu 0.730136 0.00300015 0.5 583 63.546 5.23284 -3.37723 63.546000 Cu 0.715897 0.0286672 0.5 619 63.546 0.269659 -3.48589 63.546000 Cu 0.763334 0.0196149 1.34663e-16 621 63.546 5.51461 -3.36632 63.546000 Cu 0.862035 0.0030475 1.22831e-16 491 63.546 3.80571 -3.45006 63.546000 Cu 0.855339 0.0247228 1.20128e-19 622 63.546 0.266063 -3.51514 63.546000 Cu 0.814544 0.0132712 0.5 623 63.546 7.13818 -3.37679 63.546000 Cu 0.951212 0.00308813 1.22711e-16 492 63.546 0.0719333 -3.53713 63.546000 Cu 0.904925 0.0142205 0.5 493 63.546 0.085936 -3.53214 63.546000 Cu 0.946662 0.0255151 2.83502e-17 497 63.546 0.0230065 -3.53398 63.546000 Cu 0.995312 0.014372 0.5 499 63.546 0.0505585 -3.5371 63.546000 Cu 0.0288468 0.0485818 1 511 63.546 0.00455816 -3.53568 63.546000 Cu 0.118703 0.0496345 5.94633e-18 512 63.546 0.029967 -3.53275 63.546000 Cu 0.0783346 0.0375057 0.5 513 63.546 0.0179076 -3.53242 63.546000 Cu 0.167435 0.0389175 0.5 518 63.546 0.0771119 -3.52207 63.546000 Cu 0.207608 0.052012 1 537 63.546 0.0444744 -3.53113 63.546000 Cu 0.255659 0.0423656 0.5 539 63.546 0.0791837 -3.52048 63.546000 Cu 0.296988 0.0560516 2.09863e-16 538 63.546 0.0953543 -3.52587 63.546000 Cu 0.304865 0.0342814 5.94633e-18 541 63.546 0.404743 -3.4906 63.546000 Cu 0.346625 0.0464365 0.5 544 63.546 0.1055 -3.52914 63.546000 Cu 0.396911 0.0362601 5.00332e-17 542 63.546 0.0314147 -3.53217 63.546000 Cu 0.388157 0.0583125 1 571 63.546 0.0205396 -3.53601 63.546000 Cu 0.438098 0.0478023 0.5 573 63.546 0.00821615 -3.5354 63.546000 Cu 0.487954 0.0369474 5.94633e-18 575 63.546 0.00556855 -3.53502 63.546000 Cu 0.578335 0.0375057 5.94633e-18 576 63.546 0.0179076 -3.53242 63.546000 Cu 0.528847 0.0485818 0.5 578 63.546 0.00455816 -3.53568 63.546000 Cu 0.618703 0.0496345 0.5 615 63.546 0.029967 -3.53275 63.546000 Cu 0.667435 0.0389175 1 617 63.546 0.0771119 -3.52207 63.546000 Cu 0.707608 0.052012 0.5 620 63.546 0.0444744 -3.53113 63.546000 Cu 0.755659 0.0423656 3.60384e-19 618 63.546 0.0791837 -3.52048 63.546000 Cu 0.804865 0.0342814 0.5 624 63.546 0.404743 -3.4906 63.546000 Cu 0.796988 0.0560516 0.5 663 63.546 0.0953543 -3.52587 63.546000 Cu 0.846625 0.0464365 2.45361e-16 665 63.546 0.1055 -3.52914 63.546000 Cu 0.888157 0.0583125 0.5 496 63.546 0.0205396 -3.53601 63.546000 Cu 0.938098 0.0478023 5.94633e-18 494 63.546 0.00821615 -3.5354 63.546000 Cu 0.896911 0.0362601 0.5 495 63.546 0.0314147 -3.53217 63.546000 Cu 0.987954 0.0369474 0.5 500 63.546 0.00556855 -3.53502 63.546000 Cu 0.0694764 0.0604744 0.5 514 63.546 0.00933978 -3.53633 63.546000 Cu 0.060879 0.0832979 0.5 531 63.546 0.00490818 -3.53843 63.546000 Cu 0.110025 0.0726754 1.23792e-16 533 63.546 0.013779 -3.53722 63.546000 Cu 0.0200618 0.0712712 1.0349e-16 508 63.546 0.00271169 -3.53792 63.546000 Cu 0.19942 0.0750001 1.53343e-16 534 63.546 0.0129017 -3.53679 63.546000 Cu 0.158942 0.0621702 0.5 535 63.546 0.0279856 -3.53492 63.546000 Cu 0.150592 0.0851455 0.5 536 63.546 0.0113102 -3.53793 63.546000 Cu 0.24803 0.065162 0.5 540 63.546 0.017537 -3.53363 63.546000 Cu 0.240157 0.0878127 0.5 565 63.546 0.00432075 -3.53791 63.546000 Cu 0.289128 0.0781974 5.94633e-18 567 63.546 0.0213233 -3.53582 63.546000 Cu 0.33848 0.0684324 0.5 569 63.546 0.0381894 -3.53571 63.546000 Cu 0.379913 0.0805205 5.94633e-18 568 63.546 0.0127699 -3.53815 63.546000 Cu 0.479157 0.0594591 5.94633e-18 572 63.546 0.00247763 -3.53705 63.546000 Cu 0.42948 0.0701213 0.5 574 63.546 0.00577184 -3.53789 63.546000 Cu 0.47062 0.0819591 2.28063e-16 609 63.546 0.00151018 -3.53868 63.546000 Cu 0.520062 0.0712712 0.5 611 63.546 0.00271169 -3.53792 63.546000 Cu 0.560879 0.0832979 1.2259e-16 610 63.546 0.00490818 -3.53843 63.546000 Cu 0.569476 0.0604744 4.3186e-17 613 63.546 0.00933978 -3.53633 63.546000 Cu 0.610025 0.0726754 0.5 616 63.546 0.013779 -3.53722 63.546000 Cu 0.658942 0.0621702 1 614 63.546 0.0279856 -3.53492 63.546000 Cu 0.650592 0.0851455 1.22831e-16 657 63.546 0.0113102 -3.53793 63.546000 Cu 0.740157 0.0878127 5.94633e-18 658 63.546 0.00432075 -3.53791 63.546000 Cu 0.69942 0.0750001 0.5 659 63.546 0.0129017 -3.53679 63.546000 Cu 0.74803 0.065162 1.22831e-16 661 63.546 0.017537 -3.53363 63.546000 Cu 0.83848 0.0684324 1.2247e-16 662 63.546 0.0381894 -3.53571 63.546000 Cu 0.789128 0.0781974 0.5 664 63.546 0.0213233 -3.53582 63.546000 Cu 0.879913 0.0805205 0.5 505 63.546 0.0127699 -3.53815 63.546000 Cu 0.92948 0.0701213 5.94633e-18 507 63.546 0.00577184 -3.53789 63.546000 Cu 0.979157 0.0594591 0.5 509 63.546 0.00247763 -3.53705 63.546000 Cu 0.97062 0.0819591 0.5 510 63.546 0.00151018 -3.53868 63.546000 Cu 0.101602 0.0955409 1.15022e-16 530 63.546 0.0063797 -3.53878 63.546000 Cu 0.0524483 0.106029 0.5 532 63.546 0.00277777 -3.53926 63.546000 Cu 0.00314342 0.11653 1 526 63.546 0.000812972 -3.53951 63.546000 Cu 0.0115926 0.0939276 6.00639e-20 529 63.546 0.00120624 -3.53903 63.546000 Cu 0.142341 0.107962 0.5 561 63.546 0.0046139 -3.53913 63.546000 Cu 0.191282 0.0977859 5.94633e-18 563 63.546 0.00442656 -3.53879 63.546000 Cu 0.232087 0.110417 0.5 566 63.546 0.00132373 -3.53925 63.546000 Cu 0.281151 0.100533 1.22711e-16 564 63.546 0.00563184 -3.53865 63.546000 Cu 0.330416 0.0906274 0.5 570 63.546 0.0148145 -3.53829 63.546000 Cu 0.32229 0.112952 0.5 603 63.546 0.00571143 -3.5393 63.546000 Cu 0.371668 0.102816 5.94633e-18 605 63.546 0.00629734 -3.53913 63.546000 Cu 0.462201 0.104478 1.01148e-16 606 63.546 0.000705661 -3.53935 63.546000 Cu 0.421118 0.0924788 0.5 607 63.546 0.003092 -3.53898 63.546000 Cu 0.412785 0.114906 0.5 608 63.546 0.00199114 -3.53951 63.546000 Cu 0.511593 0.0939276 0.5 612 63.546 0.00120624 -3.53903 63.546000 Cu 0.503143 0.11653 0.5 651 63.546 0.000812972 -3.53951 63.546000 Cu 0.552448 0.106029 1.23491e-16 653 63.546 0.00277777 -3.53926 63.546000 Cu 0.601602 0.0955409 0.5 655 63.546 0.0063797 -3.53878 63.546000 Cu 0.642341 0.107962 1 654 63.546 0.0046139 -3.53913 63.546000 Cu 0.691282 0.0977859 0.5 660 63.546 0.00442656 -3.53879 63.546000 Cu 0.732087 0.110417 1 701 63.546 0.00132373 -3.53925 63.546000 Cu 0.871668 0.102816 0.5 506 63.546 0.00629734 -3.53913 63.546000 Cu 0.82229 0.112952 5.94633e-18 702 63.546 0.00571143 -3.5393 63.546000 Cu 0.781151 0.100533 0.5 703 63.546 0.00563184 -3.53865 63.546000 Cu 0.830416 0.0906274 1.2247e-16 705 63.546 0.0148145 -3.53829 63.546000 Cu 0.921118 0.0924788 1.21329e-17 504 63.546 0.003092 -3.53898 63.546000 Cu 0.912785 0.114906 1 525 63.546 0.00199114 -3.53951 63.546000 Cu 0.962201 0.104478 0.5 527 63.546 0.000705661 -3.53935 63.546000 Cu 0.0847142 0.140981 1 556 63.546 0.00129072 -3.53971 63.546000 Cu 0.0439756 0.128705 0.5 557 63.546 0.00117062 -3.5396 63.546000 Cu 0.0932374 0.1183 2.12987e-16 559 63.546 0.00279593 -3.53944 63.546000 Cu 0.133914 0.130681 0.5 562 63.546 0.00180414 -3.53962 63.546000 Cu 0.183054 0.120481 1.2253e-16 560 63.546 0.00176097 -3.53953 63.546000 Cu 0.17465 0.143118 2.09503e-16 597 63.546 0.000700986 -3.5398 63.546000 Cu 0.223825 0.132991 0.5 599 63.546 0.000442905 -3.53977 63.546000 Cu 0.264647 0.145446 1.20128e-19 598 63.546 0.000651608 -3.53986 63.546000 Cu 0.273043 0.122967 6.00639e-20 601 63.546 0.00172715 -3.53956 63.546000 Cu 0.36336 0.125191 4.04831e-17 602 63.546 0.0030048 -3.53962 63.546000 Cu 0.313973 0.135353 0.5 604 63.546 0.00219814 -3.53974 63.546000 Cu 0.404352 0.137356 0.5 647 63.546 0.00106926 -3.53973 63.546000 Cu 0.453768 0.126981 5.94633e-18 649 63.546 0.000362354 -3.53963 63.546000 Cu 0.494657 0.139119 0.5 652 63.546 0.000402538 -3.53973 63.546000 Cu 0.543976 0.128705 1 650 63.546 0.00117062 -3.5396 63.546000 Cu 0.593237 0.1183 0.5 656 63.546 0.00279593 -3.53944 63.546000 Cu 0.584714 0.140981 0.5 695 63.546 0.00129072 -3.53971 63.546000 Cu 0.633914 0.130681 5.88626e-17 697 63.546 0.00180414 -3.53962 63.546000 Cu 0.723825 0.132991 1 698 63.546 0.000442905 -3.53977 63.546000 Cu 0.683054 0.120481 0.5 699 63.546 0.00176097 -3.53953 63.546000 Cu 0.67465 0.143118 0.5 700 63.546 0.000700986 -3.5398 63.546000 Cu 0.764647 0.145446 0.5 743 63.546 0.000651608 -3.53986 63.546000 Cu 0.86336 0.125191 0.5 524 63.546 0.0030048 -3.53962 63.546000 Cu 0.773043 0.122967 0.5 704 63.546 0.00172715 -3.53956 63.546000 Cu 0.813973 0.135353 1 745 63.546 0.00219814 -3.53974 63.546000 Cu 0.904352 0.137356 5.94633e-18 523 63.546 0.00106926 -3.53973 63.546000 Cu 0.953768 0.126981 0.5 528 63.546 0.000362354 -3.53963 63.546000 Cu 0.994657 0.139119 1.04812e-16 555 63.546 0.000402538 -3.53973 63.546000 Cu 0.03545 0.151342 0.5 558 63.546 0.000436865 -3.53978 63.546000 Cu 0.0270313 0.173963 0.5 591 63.546 0.000145691 -3.53989 63.546000 Cu 0.0762801 0.163625 1.90042e-16 593 63.546 0.000667782 -3.53984 63.546000 Cu 0.117093 0.17597 0.5 596 63.546 0.000435352 -3.53989 63.546000 Cu 0.125482 0.15334 0.5 595 63.546 0.000814325 -3.53982 63.546000 Cu 0.166291 0.165739 1.07695e-16 594 63.546 0.000253091 -3.53988 63.546000 Cu 0.215462 0.155564 0.5 600 63.546 0.000158326 -3.53989 63.546000 Cu 0.256342 0.16797 1.20128e-19 641 63.546 0.000265158 -3.53995 63.546000 Cu 0.346575 0.170103 1 642 63.546 0.000631766 -3.53994 63.546000 Cu 0.305596 0.157813 0.5 643 63.546 0.000867571 -3.53991 63.546000 Cu 0.354929 0.147623 1.74185e-18 645 63.546 0.00143552 -3.53984 63.546000 Cu 0.39589 0.159839 0.5 648 63.546 0.000511603 -3.53988 63.546000 Cu 0.445275 0.1495 1 646 63.546 0.000188337 -3.53981 63.546000 Cu 0.436861 0.172044 7.99451e-17 689 63.546 0.000106989 -3.53993 63.546000 Cu 0.486165 0.161703 0.5 691 63.546 0.000165063 -3.53987 63.546000 Cu 0.527031 0.173963 1.22771e-16 690 63.546 0.000145691 -3.53989 63.546000 Cu 0.53545 0.151342 1 693 63.546 0.000436865 -3.53978 63.546000 Cu 0.57628 0.163625 0.5 696 63.546 0.000667782 -3.53984 63.546000 Cu 0.617093 0.17597 6.00639e-20 737 63.546 0.000435352 -3.53989 63.546000 Cu 0.625482 0.15334 1 694 63.546 0.000814325 -3.53982 63.546000 Cu 0.666291 0.165739 0.5 739 63.546 0.000253091 -3.53988 63.546000 Cu 0.715462 0.155564 5.94633e-18 741 63.546 0.000158326 -3.53989 63.546000 Cu 0.756342 0.16797 0.5 744 63.546 0.000265158 -3.53995 63.546000 Cu 0.805596 0.157813 1 742 63.546 0.000867571 -3.53991 63.546000 Cu 0.854929 0.147623 0.5 746 63.546 0.00143552 -3.53984 63.546000 Cu 0.846575 0.170103 0.5 786 63.546 0.000631766 -3.53994 63.546000 Cu 0.89589 0.159839 1 551 63.546 0.000511603 -3.53988 63.546000 Cu 0.986165 0.161703 1.84997e-17 552 63.546 0.000165063 -3.53987 63.546000 Cu 0.945275 0.1495 0.5 553 63.546 0.000188337 -3.53981 63.546000 Cu 0.936861 0.172044 0.5 554 63.546 0.000106989 -3.53993 63.546000 Cu 0.067901 0.186252 5.94633e-18 590 63.546 0.000305273 -3.53989 63.546000 Cu 0.108742 0.198583 0.5 635 63.546 0.000214545 -3.53992 63.546000 Cu 0.0186544 0.196558 0.5 592 63.546 8.50207e-05 -3.53993 63.546000 Cu 0.157936 0.18835 6.00639e-17 637 63.546 7.59824e-05 -3.53992 63.546000 Cu 0.248034 0.190504 0 638 63.546 9.46245e-05 -3.53998 63.546000 Cu 0.207112 0.178138 0.5 639 63.546 0.000120424 -3.53995 63.546000 Cu 0.198824 0.200708 0.5 640 63.546 6.656e-05 -3.53997 63.546000 Cu 0.297291 0.180311 0.5 644 63.546 0.000353017 -3.53997 63.546000 Cu 0.288941 0.202834 0.5 683 63.546 0.000144435 -3.53999 63.546000 Cu 0.338229 0.192602 6.00639e-20 685 63.546 0.000230303 -3.53997 63.546000 Cu 0.387573 0.182341 0.5 687 63.546 0.000163861 -3.53995 63.546000 Cu 0.379139 0.204868 0.5 688 63.546 4.11573e-05 -3.53997 63.546000 Cu 0.428482 0.19459 2.22777e-16 686 63.546 4.36515e-05 -3.53996 63.546000 Cu 0.477788 0.184287 0.5 692 63.546 6.27333e-05 -3.53993 63.546000 Cu 0.518654 0.196558 1 733 63.546 8.50207e-05 -3.53993 63.546000 Cu 0.608742 0.198583 1 734 63.546 0.000214545 -3.53992 63.546000 Cu 0.567901 0.186252 0.5 735 63.546 0.000305273 -3.53989 63.546000 Cu 0.707112 0.178138 4.57086e-17 738 63.546 0.000120424 -3.53995 63.546000 Cu 0.657936 0.18835 0.5 740 63.546 7.59824e-05 -3.53992 63.546000 Cu 0.698824 0.200708 1 781 63.546 6.656e-05 -3.53997 63.546000 Cu 0.748034 0.190504 0.5 783 63.546 9.46245e-05 -3.53998 63.546000 Cu 0.788941 0.202834 0 782 63.546 0.000144435 -3.53999 63.546000 Cu 0.797291 0.180311 1 785 63.546 0.000353017 -3.53997 63.546000 Cu 0.838229 0.192602 0.5 787 63.546 0.000230303 -3.53997 63.546000 Cu 0.887573 0.182341 5.94633e-18 550 63.546 0.000163861 -3.53995 63.546000 Cu 0.879139 0.204868 4.85917e-17 585 63.546 4.11573e-05 -3.53997 63.546000 Cu 0.928482 0.19459 0.5 587 63.546 4.36515e-05 -3.53996 63.546000 Cu 0.977788 0.184287 5.94633e-18 589 63.546 6.27333e-05 -3.53993 63.546000 Cu 0.0509363 0.231466 6.16256e-17 630 63.546 2.4251e-05 -3.53992 63.546000 Cu 0.0594844 0.208856 0 633 63.546 0.000153992 -3.53991 63.546000 Cu 0.100241 0.221186 0.5 636 63.546 6.49262e-05 -3.53993 63.546000 Cu 0.0101839 0.21914 0.5 631 63.546 9.94867e-05 -3.53993 63.546000 Cu 0.141017 0.23353 2.58275e-17 677 63.546 7.38986e-05 -3.53997 63.546000 Cu 0.149543 0.210942 5.94633e-18 634 63.546 4.62259e-05 -3.53995 63.546000 Cu 0.190341 0.223277 0.5 679 63.546 3.84264e-05 -3.53998 63.546000 Cu 0.239667 0.213058 1 681 63.546 4.2819e-05 -3.53999 63.546000 Cu 0.329815 0.215141 1 682 63.546 0.000140356 -3.53998 63.546000 Cu 0.280502 0.225385 0.5 684 63.546 0.000114566 -3.53999 63.546000 Cu 0.370688 0.227417 0.5 727 63.546 2.15161e-05 -3.53997 63.546000 Cu 0.42001 0.217141 7.35182e-17 729 63.546 9.75625e-06 -3.53996 63.546000 Cu 0.469349 0.206854 0.5 731 63.546 2.85889e-05 -3.53995 63.546000 Cu 0.460842 0.229423 0.5 732 63.546 4.50325e-05 -3.53995 63.546000 Cu 0.510184 0.21914 1 730 63.546 9.94867e-05 -3.53993 63.546000 Cu 0.559484 0.208856 0.5 736 63.546 0.000153992 -3.53991 63.546000 Cu 0.550936 0.231466 0.5 775 63.546 2.4251e-05 -3.53992 63.546000 Cu 0.600241 0.221186 1.17725e-17 777 63.546 6.49262e-05 -3.53993 63.546000 Cu 0.641017 0.23353 0.5 780 63.546 7.38986e-05 -3.53997 63.546000 Cu 0.690341 0.223277 9.27988e-17 778 63.546 3.84264e-05 -3.53998 63.546000 Cu 0.649543 0.210942 0.5 779 63.546 4.62259e-05 -3.53995 63.546000 Cu 0.739667 0.213058 0.5 784 63.546 4.2819e-05 -3.53999 63.546000 Cu 0.870688 0.227417 2.02355e-16 584 63.546 2.15161e-05 -3.53997 63.546000 Cu 0.780502 0.225385 0 825 63.546 0.000114566 -3.53999 63.546000 Cu 0.829815 0.215141 0.5 826 63.546 0.000140356 -3.53998 63.546000 Cu 0.969349 0.206854 1 586 63.546 2.85889e-05 -3.53995 63.546000 Cu 0.92001 0.217141 0.5 588 63.546 9.75625e-06 -3.53996 63.546000 Cu 0.960842 0.229423 5.94633e-18 629 63.546 4.50325e-05 -3.53995 63.546000 Cu 0.0424685 0.25406 1.80792e-17 673 63.546 7.08932e-05 -3.53996 63.546000 Cu 0.0917484 0.243788 0.5 675 63.546 4.08184e-05 -3.53995 63.546000 Cu 0.0016384 0.241735 0.5 632 63.546 3.07022e-05 -3.53995 63.546000 Cu 0.132625 0.256094 3.67591e-17 674 63.546 5.73087e-05 -3.53999 63.546000 Cu 0.231175 0.235612 1 678 63.546 2.05763e-05 -3.53999 63.546000 Cu 0.181889 0.245845 0.5 680 63.546 4.14169e-05 -3.53998 63.546000 Cu 0.222784 0.258165 1.28297e-16 721 63.546 6.99865e-05 -3.53999 63.546000 Cu 0.312979 0.260232 2.21696e-16 722 63.546 7.1892e-05 -3.53999 63.546000 Cu 0.272045 0.247935 0.5 723 63.546 0.000114655 -3.53999 63.546000 Cu 0.321356 0.237678 1 725 63.546 3.67502e-05 -3.53998 63.546000 Cu 0.362218 0.249974 0.5 728 63.546 6.44926e-05 -3.53998 63.546000 Cu 0.411506 0.2397 1.25834e-16 726 63.546 3.32025e-05 -3.53996 63.546000 Cu 0.403142 0.26227 5.94633e-18 769 63.546 5.88704e-05 -3.53997 63.546000 Cu 0.49324 0.264317 1 770 63.546 6.91672e-05 -3.53996 63.546000 Cu 0.452351 0.252 0.5 771 63.546 7.70771e-05 -3.53996 63.546000 Cu 0.501638 0.241735 5.94633e-18 773 63.546 3.07022e-05 -3.53995 63.546000 Cu 0.591748 0.243788 1.52622e-16 774 63.546 4.08184e-05 -3.53995 63.546000 Cu 0.542469 0.25406 0.5 776 63.546 7.08932e-05 -3.53996 63.546000 Cu 0.632625 0.256094 0.5 819 63.546 5.73087e-05 -3.53999 63.546000 Cu 0.681889 0.245845 5.94633e-18 821 63.546 4.14169e-05 -3.53998 63.546000 Cu 0.731175 0.235612 0.5 823 63.546 2.05763e-05 -3.53999 63.546000 Cu 0.722784 0.258165 0.5 824 63.546 6.99865e-05 -3.53999 63.546000 Cu 0.862218 0.249974 1 625 63.546 6.44926e-05 -3.53998 63.546000 Cu 0.772045 0.247935 5.94633e-18 822 63.546 0.000114655 -3.53999 63.546000 Cu 0.821356 0.237678 0.5 827 63.546 3.67502e-05 -3.53998 63.546000 Cu 0.812979 0.260232 0.5 867 63.546 7.1892e-05 -3.53999 63.546000 Cu 0.952351 0.252 1 626 63.546 7.70771e-05 -3.53996 63.546000 Cu 0.911506 0.2397 0.5 627 63.546 3.32025e-05 -3.53996 63.546000 Cu 0.903142 0.26227 0.5 628 63.546 5.88704e-05 -3.53997 63.546000 Cu 0.99324 0.264317 0.5 671 63.546 6.91672e-05 -3.53996 63.546000 Cu 0.034182 0.276641 1.2259e-16 670 63.546 0.000180063 -3.53997 63.546000 Cu 0.0833733 0.266361 0.5 676 63.546 8.99131e-05 -3.53998 63.546000 Cu 0.0752616 0.288937 0.5 715 63.546 0.000122188 -3.53999 63.546000 Cu 0.124388 0.278656 1.22771e-16 717 63.546 0.00013081 -3.53999 63.546000 Cu 0.214615 0.280716 1.86799e-17 718 63.546 5.85435e-05 -3.53999 63.546000 Cu 0.173586 0.268402 0.5 719 63.546 7.64076e-05 -3.53999 63.546000 Cu 0.165493 0.290959 0.5 720 63.546 0.000126774 -3.53999 63.546000 Cu 0.263793 0.270489 0.5 724 63.546 7.13648e-05 -3.53999 63.546000 Cu 0.255701 0.293026 0.5 763 63.546 0.000163499 -3.53997 63.546000 Cu 0.304827 0.282789 1.65236e-16 765 63.546 8.26775e-05 -3.53998 63.546000 Cu 0.353977 0.272547 0.5 767 63.546 6.17329e-05 -3.53998 63.546000 Cu 0.394972 0.284867 9.51413e-17 766 63.546 0.000112062 -3.53995 63.546000 Cu 0.444089 0.274585 0.5 772 63.546 6.60422e-05 -3.53995 63.546000 Cu 0.485088 0.286913 3.95221e-17 813 63.546 0.00012941 -3.53996 63.546000 Cu 0.575262 0.288937 5.94633e-18 814 63.546 0.000122188 -3.53999 63.546000 Cu 0.534182 0.276641 0.5 815 63.546 0.000180063 -3.53997 63.546000 Cu 0.583373 0.266361 5.94633e-18 817 63.546 8.99131e-05 -3.53998 63.546000 Cu 0.624388 0.278656 0.5 820 63.546 0.00013081 -3.53999 63.546000 Cu 0.673586 0.268402 1 818 63.546 7.64076e-05 -3.53999 63.546000 Cu 0.665493 0.290959 1.22711e-16 861 63.546 0.000126774 -3.53999 63.546000 Cu 0.714615 0.280716 0.5 863 63.546 5.85435e-05 -3.53999 63.546000 Cu 0.755701 0.293026 2.76114e-16 862 63.546 0.000163499 -3.53997 63.546000 Cu 0.763793 0.270489 1.1274e-16 865 63.546 7.13648e-05 -3.53999 63.546000 Cu 0.853977 0.272547 3.23024e-16 866 63.546 6.17329e-05 -3.53998 63.546000 Cu 0.804827 0.282789 0.5 868 63.546 8.26775e-05 -3.53998 63.546000 Cu 0.894972 0.284867 0.5 667 63.546 0.000112062 -3.53995 63.546000 Cu 0.944089 0.274585 1.87099e-16 669 63.546 6.60422e-05 -3.53995 63.546000 Cu 0.985088 0.286913 0.5 672 63.546 0.00012941 -3.53996 63.546000 Cu 0.0262206 0.299224 1 713 63.546 0.000132797 -3.53998 63.546000 Cu 0.116438 0.301216 1 714 63.546 0.000140874 -3.53998 63.546000 Cu 0.0674725 0.311499 0.5 716 63.546 3.68568e-05 -3.53999 63.546000 Cu 0.0185261 0.321805 5.94633e-18 710 63.546 4.80615e-05 -3.53998 63.546000 Cu 0.157713 0.313498 0.5 759 63.546 0.000118042 -3.53996 63.546000 Cu 0.206664 0.303256 5.94633e-18 761 63.546 0.000181622 -3.53996 63.546000 Cu 0.247979 0.315571 0.5 764 63.546 9.29212e-05 -3.53991 63.546000 Cu 0.296913 0.305347 0 762 63.546 0.00014819 -3.53992 63.546000 Cu 0.345897 0.295124 0.5 768 63.546 0.000203319 -3.53995 63.546000 Cu 0.338207 0.317705 0.5 807 63.546 3.95106e-05 -3.53988 63.546000 Cu 0.387094 0.307472 5.94633e-18 809 63.546 0.000195138 -3.53991 63.546000 Cu 0.477242 0.309514 5.94633e-18 810 63.546 0.000115082 -3.53995 63.546000 Cu 0.436044 0.297198 0.5 811 63.546 0.000171489 -3.53994 63.546000 Cu 0.428342 0.319807 0.5 812 63.546 0.00017177 -3.53991 63.546000 Cu 0.518526 0.321805 0.5 855 63.546 4.80615e-05 -3.53998 63.546000 Cu 0.526221 0.299224 0.5 816 63.546 0.000132797 -3.53998 63.546000 Cu 0.567472 0.311499 2.08422e-17 857 63.546 3.68568e-05 -3.53999 63.546000 Cu 0.616438 0.301216 0.5 859 63.546 0.000140874 -3.53998 63.546000 Cu 0.657713 0.313498 5.94633e-18 858 63.546 0.000118042 -3.53996 63.546000 Cu 0.706664 0.303256 0.5 864 63.546 0.000181622 -3.53996 63.546000 Cu 0.747979 0.315571 3.09449e-16 903 63.546 9.29212e-05 -3.53991 63.546000 Cu 0.838207 0.317705 5.52588e-18 904 63.546 3.95106e-05 -3.53988 63.546000 Cu 0.796913 0.305347 0.5 905 63.546 0.00014819 -3.53992 63.546000 Cu 0.845897 0.295124 9.71234e-17 907 63.546 0.000203319 -3.53995 63.546000 Cu 0.887094 0.307472 0.5 668 63.546 0.000195138 -3.53991 63.546000 Cu 0.936044 0.297198 1.80192e-19 666 63.546 0.000171489 -3.53994 63.546000 Cu 0.928342 0.319807 1.20128e-19 709 63.546 0.00017177 -3.53991 63.546000 Cu 0.977242 0.309514 0.5 711 63.546 0.000115082 -3.53995 63.546000 Cu 0.101096 0.346299 1 754 63.546 0.000318673 -3.53997 63.546000 Cu 0.0598171 0.334068 0.5 755 63.546 7.06096e-05 -3.53999 63.546000 Cu 0.108766 0.323762 1 757 63.546 0.000122832 -3.53998 63.546000 Cu 0.0108072 0.344395 3.754e-17 753 63.546 0.000149453 -3.53997 63.546000 Cu 0.199056 0.325794 1.74666e-16 758 63.546 0.000133203 -3.53992 63.546000 Cu 0.150091 0.33603 0.5 760 63.546 0.000244308 -3.53994 63.546000 Cu 0.19145 0.348307 1.41991e-16 801 63.546 0.000679838 -3.53988 63.546000 Cu 0.240406 0.338112 0.5 803 63.546 0.000310751 -3.53987 63.546000 Cu 0.281661 0.350496 1.2253e-16 802 63.546 0.000214725 -3.53981 63.546000 Cu 0.289306 0.327918 1.20308e-16 805 63.546 7.55344e-05 -3.53987 63.546000 Cu 0.330542 0.340299 0.5 808 63.546 0.000110535 -3.53981 63.546000 Cu 0.371713 0.352702 3.6639e-18 849 63.546 0.000510546 -3.53978 63.546000 Cu 0.379456 0.330074 7.91042e-17 806 63.546 0.000230942 -3.53987 63.546000 Cu 0.420637 0.342431 0.5 851 63.546 0.000494763 -3.53987 63.546000 Cu 0.469597 0.33212 5.94633e-18 853 63.546 0.0001985 -3.53994 63.546000 Cu 0.510807 0.344395 0.5 856 63.546 0.000149453 -3.53997 63.546000 Cu 0.559817 0.334068 1 854 63.546 7.06096e-05 -3.53999 63.546000 Cu 0.608766 0.323762 0.5 860 63.546 0.000122832 -3.53998 63.546000 Cu 0.601096 0.346299 0.5 897 63.546 0.000318673 -3.53997 63.546000 Cu 0.650091 0.33603 1 899 63.546 0.000244308 -3.53994 63.546000 Cu 0.740406 0.338112 2.37313e-16 900 63.546 0.000310751 -3.53987 63.546000 Cu 0.699056 0.325794 0.5 901 63.546 0.000133203 -3.53992 63.546000 Cu 0.69145 0.348307 0.5 902 63.546 0.000679838 -3.53988 63.546000 Cu 0.871713 0.352702 0.5 708 63.546 0.000510546 -3.53978 63.546000 Cu 0.789306 0.327918 0.5 906 63.546 7.55344e-05 -3.53987 63.546000 Cu 0.781661 0.350496 0.5 935 63.546 0.000214725 -3.53981 63.546000 Cu 0.830542 0.340299 5.634e-17 937 63.546 0.000110535 -3.53981 63.546000 Cu 0.879456 0.330074 0.5 707 63.546 0.000230942 -3.53987 63.546000 Cu 0.920637 0.342431 1 706 63.546 0.000494763 -3.53987 63.546000 Cu 0.969597 0.33212 0.5 712 63.546 0.0001985 -3.53994 63.546000 Cu 0.0519966 0.356631 0.5 756 63.546 0.000168453 -3.53996 63.546000 Cu 0.0439572 0.37917 0.5 795 63.546 0.000322321 -3.53986 63.546000 Cu 0.0931759 0.368809 1.20128e-19 797 63.546 0.000532751 -3.53988 63.546000 Cu 0.0028509 0.366989 3.68132e-16 750 63.546 0.000311618 -3.5399 63.546000 Cu 0.142353 0.35853 0.5 799 63.546 0.000785096 -3.53988 63.546000 Cu 0.13444 0.380976 0.5 800 63.546 0.00204729 -3.53965 63.546000 Cu 0.1836 0.370783 1.73164e-16 798 63.546 0.00182197 -3.53973 63.546000 Cu 0.232697 0.360651 0.5 804 63.546 0.000704456 -3.5398 63.546000 Cu 0.273827 0.373085 1 845 63.546 0.000455657 -3.53965 63.546000 Cu 0.363749 0.375373 1 846 63.546 0.0012455 -3.53958 63.546000 Cu 0.322775 0.362933 0.5 847 63.546 0.000466065 -3.53972 63.546000 Cu 0.461782 0.35474 5.14147e-17 850 63.546 0.000443027 -3.53989 63.546000 Cu 0.412755 0.365079 0.5 852 63.546 0.000945729 -3.53975 63.546000 Cu 0.453744 0.377385 1 891 63.546 0.00100616 -3.53975 63.546000 Cu 0.502851 0.366989 0.5 893 63.546 0.000311618 -3.5399 63.546000 Cu 0.543957 0.37917 1 892 63.546 0.000322321 -3.53986 63.546000 Cu 0.551997 0.356631 0 895 63.546 0.000168453 -3.53996 63.546000 Cu 0.593176 0.368809 0.5 898 63.546 0.000532751 -3.53988 63.546000 Cu 0.642353 0.35853 1 896 63.546 0.000785096 -3.53988 63.546000 Cu 0.63444 0.380976 5.97636e-17 929 63.546 0.00204729 -3.53965 63.546000 Cu 0.6836 0.370783 0.5 931 63.546 0.00182197 -3.53973 63.546000 Cu 0.732697 0.360651 2.6308e-16 933 63.546 0.000704456 -3.5398 63.546000 Cu 0.863749 0.375373 0.5 748 63.546 0.0012455 -3.53958 63.546000 Cu 0.822775 0.362933 1.05953e-16 934 63.546 0.000466065 -3.53972 63.546000 Cu 0.773827 0.373085 0.5 936 63.546 0.000455657 -3.53965 63.546000 Cu 0.912755 0.365079 5.54991e-17 749 63.546 0.000945729 -3.53975 63.546000 Cu 0.961782 0.35474 0.5 751 63.546 0.000443027 -3.53989 63.546000 Cu 0.953744 0.377385 0.5 752 63.546 0.00100616 -3.53975 63.546000 Cu 0.0851973 0.391276 0 794 63.546 0.00112101 -3.53965 63.546000 Cu 0.0359407 0.401694 0.5 796 63.546 0.000767413 -3.5396 63.546000 Cu 0.126543 0.403358 0.5 839 63.546 0.00512416 -3.53913 63.546000 Cu 0.175758 0.393195 1.23191e-16 841 63.546 0.00512716 -3.53926 63.546000 Cu 0.224849 0.383139 0.5 843 63.546 0.00199617 -3.53949 63.546000 Cu 0.217077 0.405584 0.5 844 63.546 0.00587464 -3.53855 63.546000 Cu 0.266023 0.395669 2.24159e-16 842 63.546 0.00120848 -3.53914 63.546000 Cu 0.314847 0.385586 0.5 848 63.546 0.00136439 -3.5394 63.546000 Cu 0.307042 0.408294 0.5 885 63.546 0.00397582 -3.53863 63.546000 Cu 0.355835 0.398103 0 887 63.546 0.00360455 -3.53904 63.546000 Cu 0.39672 0.410545 0.5 890 63.546 0.00536268 -3.53878 63.546000 Cu 0.4457 0.400066 0 888 63.546 0.00213075 -3.53939 63.546000 Cu 0.40472 0.387775 0.5 889 63.546 0.0023669 -3.53947 63.546000 Cu 0.494795 0.389586 0.5 894 63.546 0.000641291 -3.53974 63.546000 Cu 0.535941 0.401694 1.20128e-19 925 63.546 0.000767413 -3.5396 63.546000 Cu 0.585197 0.391276 0.5 927 63.546 0.00112101 -3.53965 63.546000 Cu 0.626543 0.403358 1.47757e-17 926 63.546 0.00512416 -3.53913 63.546000 Cu 0.724849 0.383139 2.45421e-16 930 63.546 0.00199617 -3.53949 63.546000 Cu 0.675758 0.393195 0.5 932 63.546 0.00512716 -3.53926 63.546000 Cu 0.717077 0.405584 6.00639e-20 955 63.546 0.00587464 -3.53855 63.546000 Cu 0.766023 0.395669 0.5 957 63.546 0.00120848 -3.53914 63.546000 Cu 0.807042 0.408294 1 956 63.546 0.00397582 -3.53863 63.546000 Cu 0.814847 0.385586 1 959 63.546 0.00136439 -3.5394 63.546000 Cu 0.855835 0.398103 0.5 960 63.546 0.00360455 -3.53904 63.546000 Cu 0.90472 0.387775 9.4901e-17 747 63.546 0.0023669 -3.53947 63.546000 Cu 0.89672 0.410545 0 789 63.546 0.00536268 -3.53878 63.546000 Cu 0.9457 0.400066 0.5 791 63.546 0.00213075 -3.53939 63.546000 Cu 0.994795 0.389586 2.01875e-16 793 63.546 0.000641291 -3.53974 63.546000 Cu 0.0691647 0.436055 1 834 63.546 0.00487326 -3.53792 63.546000 Cu 0.027882 0.424204 0.5 835 63.546 0.00143207 -3.53893 63.546000 Cu 0.0772272 0.413694 1 837 63.546 0.00260285 -3.53912 63.546000 Cu 0.118668 0.425647 0.5 840 63.546 0.0114018 -3.53799 63.546000 Cu 0.168003 0.415521 1 838 63.546 0.0138867 -3.53813 63.546000 Cu 0.160247 0.43771 1 879 63.546 0.0373868 -3.53538 63.546000 Cu 0.209485 0.42792 0.5 881 63.546 0.0223236 -3.53562 63.546000 Cu 0.250752 0.440935 5.94633e-18 880 63.546 0.0169322 -3.53327 63.546000 Cu 0.258312 0.41828 2.45301e-16 883 63.546 0.0041819 -3.53769 63.546000 Cu 0.347894 0.420937 1 884 63.546 0.00973488 -3.53777 63.546000 Cu 0.299245 0.431096 0.5 886 63.546 0.0123666 -3.53651 63.546000 Cu 0.388584 0.433438 0.5 919 63.546 0.013299 -3.5372 63.546000 Cu 0.437585 0.422831 1 921 63.546 0.00533021 -3.53856 63.546000 Cu 0.486737 0.412223 0.5 923 63.546 0.0017028 -3.5393 63.546000 Cu 0.478538 0.434878 0.5 924 63.546 0.00292032 -3.53828 63.546000 Cu 0.527882 0.424204 5.94633e-18 922 63.546 0.00143207 -3.53893 63.546000 Cu 0.577227 0.413694 0.5 928 63.546 0.00260285 -3.53912 63.546000 Cu 0.569165 0.436055 0.5 949 63.546 0.00487326 -3.53792 63.546000 Cu 0.618668 0.425647 0 951 63.546 0.0114018 -3.53799 63.546000 Cu 0.709485 0.42792 1.81393e-16 952 63.546 0.0223236 -3.53562 63.546000 Cu 0.668003 0.415521 0.5 953 63.546 0.0138867 -3.53813 63.546000 Cu 0.660247 0.43771 0.5 954 63.546 0.0373868 -3.53538 63.546000 Cu 0.758312 0.41828 0.5 958 63.546 0.0041819 -3.53769 63.546000 Cu 0.750752 0.440935 0.5 970 63.546 0.0169322 -3.53327 63.546000 Cu 0.847894 0.420937 0.5 490 63.546 0.00973488 -3.53777 63.546000 Cu 0.799245 0.431096 1.35144e-16 972 63.546 0.0123666 -3.53651 63.546000 Cu 0.888584 0.433438 3.06326e-17 788 63.546 0.013299 -3.5372 63.546000 Cu 0.986737 0.412223 1 790 63.546 0.0017028 -3.5393 63.546000 Cu 0.937585 0.422831 0.5 792 63.546 0.00533021 -3.53856 63.546000 Cu 0.978538 0.434878 4.44473e-17 833 63.546 0.00292032 -3.53828 63.546000 Cu 0.0608836 0.458352 1 875 63.546 0.00770811 -3.53561 63.546000 Cu 0.110656 0.447827 0.5 877 63.546 0.0207265 -3.53586 63.546000 Cu 0.0196097 0.446705 0.5 836 63.546 0.00269893 -3.53746 63.546000 Cu 0.0111858 0.469209 0.5 873 63.546 0.00594827 -3.53563 63.546000 Cu 0.102276 0.469884 0.5 878 63.546 0.0303247 -3.53209 63.546000 Cu 0.152426 0.459689 1 876 63.546 0.105714 -3.52863 63.546000 Cu 0.201919 0.450062 0.5 882 63.546 0.0973912 -3.52502 63.546000 Cu 0.243436 0.463737 1.20128e-19 913 63.546 0.0788854 -3.51941 63.546000 Cu 0.331695 0.467199 1 914 63.546 0.0746264 -3.52181 63.546000 Cu 0.291357 0.454093 0.5 915 63.546 0.0433982 -3.53069 63.546000 Cu 0.33983 0.443931 6.00639e-20 917 63.546 0.0262869 -3.53476 63.546000 Cu 0.380241 0.456488 0.5 920 63.546 0.0293006 -3.53276 63.546000 Cu 0.429317 0.445667 1.20128e-19 918 63.546 0.00976758 -3.53661 63.546000 Cu 0.420744 0.468655 1.18446e-16 943 63.546 0.0209413 -3.53288 63.546000 Cu 0.470119 0.457575 0.5 945 63.546 0.00513248 -3.53614 63.546000 Cu 0.511186 0.469209 1.9689e-16 944 63.546 0.00594827 -3.53563 63.546000 Cu 0.51961 0.446705 1.29678e-16 947 63.546 0.00269893 -3.53746 63.546000 Cu 0.610656 0.447827 1 948 63.546 0.0207265 -3.53586 63.546000 Cu 0.560884 0.458352 0.5 950 63.546 0.00770811 -3.53561 63.546000 Cu 0.602276 0.469884 5.94633e-18 964 63.546 0.0303247 -3.53209 63.546000 Cu 0.652426 0.459689 0.5 966 63.546 0.105714 -3.52863 63.546000 Cu 0.701919 0.450062 2.45301e-16 968 63.546 0.0973912 -3.52502 63.546000 Cu 0.743436 0.463737 0.5 971 63.546 0.0788854 -3.51941 63.546000 Cu 0.831695 0.467199 0.5 15 63.546 0.0746264 -3.52181 63.546000 Cu 0.83983 0.443931 0.5 486 63.546 0.0262869 -3.53476 63.546000 Cu 0.791357 0.454093 1 969 63.546 0.0433982 -3.53069 63.546000 Cu 0.880241 0.456488 0 829 63.546 0.0293006 -3.53276 63.546000 Cu 0.970119 0.457575 1 830 63.546 0.00513248 -3.53614 63.546000 Cu 0.929317 0.445667 0.5 831 63.546 0.00976758 -3.53661 63.546000 Cu 0.920744 0.468655 0.5 832 63.546 0.0209413 -3.53288 63.546000 Cu 0.0527655 0.480638 1 872 63.546 0.0223315 -3.53453 63.546000 Cu 0.0947583 0.491908 0.5 908 63.546 0.0863271 -3.53226 63.546000 Cu 0.00428583 0.491774 0.5 874 63.546 0.0534692 -3.53748 63.546000 Cu 0.144034 0.481393 1 909 63.546 0.268937 -3.51464 63.546000 Cu 0.236237 0.486477 1.20128e-19 910 63.546 5.50377 -3.36492 63.546000 Cu 0.194409 0.471812 0.5 911 63.546 0.417229 -3.48961 63.546000 Cu 0.185059 0.492847 0.5 912 63.546 7.1313 -3.37614 63.546000 Cu 0.283431 0.477443 0.5 916 63.546 0.263803 -3.48553 63.546000 Cu 0.322084 0.491392 5.94633e-18 939 63.546 0.564905 -3.49001 63.546000 Cu 0.371362 0.479917 0.5 941 63.546 0.102032 -3.52524 63.546000 Cu 0.41329 0.491641 5.94633e-18 940 63.546 0.0592451 -3.53426 63.546000 Cu 0.461966 0.480323 0.5 946 63.546 0.0153599 -3.53552 63.546000 Cu 0.504286 0.491774 1.2259e-16 961 63.546 0.0534692 -3.53748 63.546000 Cu 0.594758 0.491908 1 962 63.546 0.0863271 -3.53226 63.546000 Cu 0.552765 0.480638 0.5 963 63.546 0.0223315 -3.53453 63.546000 Cu 0.644034 0.481393 0.5 967 63.546 0.268937 -3.51464 63.546000 Cu 0.736237 0.486477 0.5 60 63.546 5.50377 -3.36492 63.546000 Cu 0.685059 0.492847 1.02109e-18 469 63.546 7.1313 -3.37614 63.546000 Cu 0.694409 0.471812 5.94633e-18 965 63.546 0.417229 -3.48961 63.546000 Cu 0.822084 0.491392 0.5 3 63.546 0.564905 -3.49001 63.546000 Cu 0.783431 0.477443 1 59 63.546 0.263803 -3.48553 63.546000 Cu 0.871362 0.479917 2.08422e-17 828 63.546 0.102032 -3.52524 63.546000 Cu 0.91329 0.491641 0.5 870 63.546 0.0592451 -3.53426 63.546000 Cu 0.961966 0.480323 1 871 63.546 0.0153599 -3.53552 63.546000 Cu 0.0487138 0.503056 1 1 63.546 0.0728629 -3.53711 63.546000 Cu 0.0949909 0.514197 0.5 2 63.546 0.0846266 -3.53181 63.546000 Cu 0.00451875 0.514342 0.5 6 63.546 0.052705 -3.53719 63.546000 Cu 0.0531809 0.52547 1 8 63.546 0.0226192 -3.53405 63.546000 Cu 0.137946 0.503066 1.22711e-16 92 63.546 3.80288 -3.44927 63.546000 Cu 0.144481 0.524704 1 93 63.546 0.258573 -3.51447 63.546000 Cu 0.185337 0.513285 0.5 94 63.546 7.12322 -3.37711 63.546000 Cu 0.236603 0.51967 5.94633e-18 95 63.546 5.50431 -3.36749 63.546000 Cu 0.269818 0.503078 0.5 938 63.546 5.22319 -3.37856 63.546000 Cu 0.322408 0.514803 1.22651e-16 58 63.546 0.544698 -3.48963 63.546000 Cu 0.365347 0.50309 0.5 942 63.546 0.216493 -3.5218 63.546000 Cu 0.371865 0.526258 0.5 64 63.546 0.0964825 -3.52517 63.546000 Cu 0.283938 0.528706 0.5 97 63.546 0.267287 -3.48626 63.546000 Cu 0.457459 0.503067 0.5 34 63.546 0.0998428 -3.5369 63.546000 Cu 0.413553 0.514526 1 61 63.546 0.0576678 -3.53409 63.546000 Cu 0.462407 0.5258 0.5 63 63.546 0.0155686 -3.53518 63.546000 Cu 0.504519 0.514342 5.94633e-18 32 63.546 0.052705 -3.53719 63.546000 Cu 0.548714 0.503056 0.5 33 63.546 0.0728629 -3.53711 63.546000 Cu 0.594991 0.514197 1 35 63.546 0.0846266 -3.53181 63.546000 Cu 0.553181 0.52547 0.5 38 63.546 0.0226192 -3.53405 63.546000 Cu 0.685337 0.513285 5.84422e-17 13 63.546 7.12322 -3.37711 63.546000 Cu 0.637946 0.503066 0.5 14 63.546 3.80288 -3.44927 63.546000 Cu 0.644481 0.524704 0.5 37 63.546 0.258573 -3.51447 63.546000 Cu 0.736603 0.51967 0.5 18 63.546 5.50431 -3.36749 63.546000 Cu 0.769818 0.503078 1 468 63.546 5.22319 -3.37856 63.546000 Cu 0.822408 0.514803 0.5 17 63.546 0.544698 -3.48963 63.546000 Cu 0.865347 0.50309 5.0754e-17 869 63.546 0.216493 -3.5218 63.546000 Cu 0.871865 0.526258 1.2253e-16 19 63.546 0.0964825 -3.52517 63.546000 Cu 0.783938 0.528706 1 16 63.546 0.267287 -3.48626 63.546000 Cu 0.957459 0.503067 5.94633e-18 4 63.546 0.0998428 -3.5369 63.546000 Cu 0.962407 0.5258 5.94633e-18 5 63.546 0.0155686 -3.53518 63.546000 Cu 0.913553 0.514526 0.5 7 63.546 0.0576678 -3.53409 63.546000 Cu 0.0617253 0.547762 1 9 63.546 0.00719052 -3.53549 63.546000 Cu 0.102906 0.536218 0.5 10 63.546 0.0274452 -3.53202 63.546000 Cu 0.0118601 0.53691 0.5 11 63.546 0.00546642 -3.53512 63.546000 Cu 0.111595 0.558288 0.5 12 63.546 0.0193507 -3.53598 63.546000 Cu 0.195006 0.534338 0.5 98 63.546 0.430805 -3.49115 63.546000 Cu 0.153166 0.54643 1 134 63.546 0.103969 -3.52936 63.546000 Cu 0.202806 0.556078 0.5 136 63.546 0.0984554 -3.52548 63.546000 Cu 0.244175 0.542404 5.38173e-17 96 63.546 0.0814566 -3.52021 63.546000 Cu 0.332411 0.53897 1 99 63.546 0.0715338 -3.52214 63.546000 Cu 0.292197 0.552062 0.5 102 63.546 0.0426649 -3.53119 63.546000 Cu 0.421452 0.5375 1 62 63.546 0.0192788 -3.5327 63.546000 Cu 0.470978 0.548553 0.5 68 63.546 0.00508782 -3.53576 63.546000 Cu 0.381163 0.549663 0.5 101 63.546 0.028484 -3.53282 63.546000 Cu 0.602906 0.536218 1 36 63.546 0.0274452 -3.53202 63.546000 Cu 0.51186 0.53691 1 65 63.546 0.00546642 -3.53512 63.546000 Cu 0.561725 0.547762 0.5 67 63.546 0.00719052 -3.53549 63.546000 Cu 0.611595 0.558288 1 69 63.546 0.0193507 -3.53598 63.546000 Cu 0.695006 0.534338 0 39 63.546 0.430805 -3.49115 63.546000 Cu 0.702806 0.556078 1 40 63.546 0.0984554 -3.52548 63.546000 Cu 0.653166 0.54643 0.5 42 63.546 0.103969 -3.52936 63.546000 Cu 0.744175 0.542404 0.5 41 63.546 0.0814566 -3.52021 63.546000 Cu 0.832411 0.53897 0.5 22 63.546 0.0715338 -3.52214 63.546000 Cu 0.792197 0.552062 5.94633e-18 43 63.546 0.0426649 -3.53119 63.546000 Cu 0.881163 0.549663 9.06965e-17 20 63.546 0.028484 -3.53282 63.546000 Cu 0.921452 0.5375 0.5 21 63.546 0.0192788 -3.5327 63.546000 Cu 0.970978 0.548553 1 23 63.546 0.00508782 -3.53576 63.546000 Cu 0.0206408 0.559422 0.5 25 63.546 0.00249727 -3.53713 63.546000 Cu 0.0703895 0.57008 5.94633e-18 27 63.546 0.00491188 -3.53785 63.546000 Cu 0.0293368 0.581936 0.5 30 63.546 0.00126647 -3.53866 63.546000 Cu 0.120021 0.580484 0.5 29 63.546 0.0110075 -3.53819 63.546000 Cu 0.161319 0.568423 5.94633e-18 135 63.546 0.0365755 -3.53576 63.546000 Cu 0.210742 0.578211 0.5 140 63.546 0.0217639 -3.53614 63.546000 Cu 0.340894 0.562224 1 100 63.546 0.0252345 -3.53508 63.546000 Cu 0.25177 0.565217 1.14842e-16 137 63.546 0.0156728 -3.5339 63.546000 Cu 0.2598 0.587847 1 138 63.546 0.00381565 -3.53813 63.546000 Cu 0.300463 0.575035 0.5 139 63.546 0.0126171 -3.53697 63.546000 Cu 0.349346 0.585187 2.27042e-17 141 63.546 0.00981138 -3.53807 63.546000 Cu 0.430373 0.560476 1.49019e-16 103 63.546 0.00941424 -3.53644 63.546000 Cu 0.439056 0.583299 1 104 63.546 0.00519494 -3.53836 63.546000 Cu 0.389838 0.572702 0.5 106 63.546 0.0129478 -3.53727 63.546000 Cu 0.479801 0.571259 0.5 105 63.546 0.00263342 -3.5379 63.546000 Cu 0.520641 0.559422 1.67518e-16 66 63.546 0.00249727 -3.53713 63.546000 Cu 0.57039 0.57008 0.5 72 63.546 0.00491188 -3.53785 63.546000 Cu 0.529337 0.581936 1 107 63.546 0.00126647 -3.53866 63.546000 Cu 0.620021 0.580484 1.5052e-16 70 63.546 0.0110075 -3.53819 63.546000 Cu 0.661319 0.568423 0.5 71 63.546 0.0365755 -3.53576 63.546000 Cu 0.710742 0.578211 3.24345e-18 73 63.546 0.0217639 -3.53614 63.546000 Cu 0.800463 0.575035 5.94633e-18 44 63.546 0.0126171 -3.53697 63.546000 Cu 0.840894 0.562224 0.5 45 63.546 0.0252345 -3.53508 63.546000 Cu 0.75177 0.565217 0.5 46 63.546 0.0156728 -3.5339 63.546000 Cu 0.849346 0.585187 0.5 50 63.546 0.00981138 -3.53807 63.546000 Cu 0.7598 0.587847 0.5 75 63.546 0.00381565 -3.53813 63.546000 Cu 0.979801 0.571259 6.00639e-20 24 63.546 0.00263342 -3.5379 63.546000 Cu 0.930373 0.560476 0.5 26 63.546 0.00941424 -3.53644 63.546000 Cu 0.889838 0.572702 2.21155e-16 47 63.546 0.0129478 -3.53727 63.546000 Cu 0.939056 0.583299 0.5 49 63.546 0.00519494 -3.53836 63.546000 Cu 0.0788573 0.592464 1.22711e-16 28 63.546 0.00320439 -3.53905 63.546000 Cu 0.0378317 0.604463 0.5 53 63.546 0.000667481 -3.53937 63.546000 Cu 0.0872554 0.6149 1 55 63.546 0.00182983 -3.53959 63.546000 Cu 0.128362 0.602797 0.5 31 63.546 0.00564531 -3.53926 63.546000 Cu 0.169536 0.590605 1 174 63.546 0.0127394 -3.53836 63.546000 Cu 0.177757 0.61294 5.94633e-18 175 63.546 0.00473072 -3.53943 63.546000 Cu 0.218832 0.600542 0.5 176 63.546 0.00566324 -3.53881 63.546000 Cu 0.308724 0.59781 0.5 144 63.546 0.00438434 -3.53888 63.546000 Cu 0.267961 0.610438 1 177 63.546 0.00115946 -3.53933 63.546000 Cu 0.357739 0.60799 5.37572e-17 142 63.546 0.00420578 -3.53918 63.546000 Cu 0.398398 0.595563 0.5 143 63.546 0.00588593 -3.53879 63.546000 Cu 0.44762 0.606052 5.94633e-18 145 63.546 0.00222289 -3.53921 63.546000 Cu 0.488425 0.593918 0.5 110 63.546 0.00137395 -3.539 63.546000 Cu 0.496897 0.616548 0.5 147 63.546 0.000635112 -3.53954 63.546000 Cu 0.537832 0.604463 1 108 63.546 0.000667481 -3.53937 63.546000 Cu 0.578857 0.592464 0.5 109 63.546 0.00320439 -3.53905 63.546000 Cu 0.587255 0.6149 0.5 114 63.546 0.00182983 -3.53959 63.546000 Cu 0.718832 0.600542 0 74 63.546 0.00566324 -3.53881 63.546000 Cu 0.669536 0.590605 0.5 76 63.546 0.0127394 -3.53836 63.546000 Cu 0.628362 0.602797 1 111 63.546 0.00564531 -3.53926 63.546000 Cu 0.677757 0.61294 0.5 113 63.546 0.00473072 -3.53943 63.546000 Cu 0.808724 0.59781 1.2229e-16 77 63.546 0.00438434 -3.53888 63.546000 Cu 0.767961 0.610438 0.5 80 63.546 0.00115946 -3.53933 63.546000 Cu 0.857739 0.60799 0.5 79 63.546 0.00420578 -3.53918 63.546000 Cu 0.988425 0.593918 1 51 63.546 0.00137395 -3.539 63.546000 Cu 0.996897 0.616548 9.394e-17 52 63.546 0.000635112 -3.53954 63.546000 Cu 0.898398 0.595563 5.94633e-18 48 63.546 0.00588593 -3.53879 63.546000 Cu 0.94762 0.606052 0.5 54 63.546 0.00222289 -3.53921 63.546000 Cu 0.0956347 0.637369 9.0216e-17 56 63.546 0.000923001 -3.53981 63.546000 Cu 0.0462299 0.627 0.5 57 63.546 0.000378817 -3.5397 63.546000 Cu 0.00531165 0.639149 1 85 63.546 0.000389286 -3.53974 63.546000 Cu 0.227025 0.62298 0.5 180 63.546 0.00171432 -3.53961 63.546000 Cu 0.136668 0.625192 0.5 214 63.546 0.0026509 -3.53969 63.546000 Cu 0.185992 0.635364 1.98211e-17 215 63.546 0.00191167 -3.5398 63.546000 Cu 0.235252 0.64547 0.5 217 63.546 0.000501038 -3.53987 63.546000 Cu 0.27619 0.63302 1.17125e-17 178 63.546 0.000416816 -3.53975 63.546000 Cu 0.317006 0.620503 0.5 179 63.546 0.00169551 -3.53953 63.546000 Cu 0.325334 0.643149 0.5 184 63.546 0.000761808 -3.5398 63.546000 Cu 0.366118 0.630711 1.75387e-17 181 63.546 0.00179651 -3.53961 63.546000 Cu 0.456037 0.628735 5.94633e-18 146 63.546 0.00109195 -3.53961 63.546000 Cu 0.406865 0.618323 0.5 148 63.546 0.00268555 -3.53941 63.546000 Cu 0.415263 0.64102 0.5 183 63.546 0.00110064 -3.53969 63.546000 Cu 0.54623 0.627 1 149 63.546 0.000378817 -3.5397 63.546000 Cu 0.595635 0.637369 0.5 151 63.546 0.000923001 -3.53981 63.546000 Cu 0.505312 0.639149 0.5 152 63.546 0.000389286 -3.53974 63.546000 Cu 0.636668 0.625192 5.94633e-18 112 63.546 0.0026509 -3.53969 63.546000 Cu 0.727025 0.62298 1.22711e-16 115 63.546 0.00171432 -3.53961 63.546000 Cu 0.685992 0.635364 0.5 118 63.546 0.00191167 -3.5398 63.546000 Cu 0.735252 0.64547 6.00639e-20 116 63.546 0.000501038 -3.53987 63.546000 Cu 0.817006 0.620503 5.94633e-18 78 63.546 0.00169551 -3.53953 63.546000 Cu 0.77619 0.63302 0.5 117 63.546 0.000416816 -3.53975 63.546000 Cu 0.825334 0.643149 1.2259e-16 119 63.546 0.000761808 -3.5398 63.546000 Cu 0.866118 0.630711 0.5 84 63.546 0.00179651 -3.53961 63.546000 Cu 0.906865 0.618323 1 81 63.546 0.00268555 -3.53941 63.546000 Cu 0.915263 0.64102 1.2259e-16 82 63.546 0.00110064 -3.53969 63.546000 Cu 0.956037 0.628735 0.5 83 63.546 0.00109195 -3.53961 63.546000 Cu 0.0138425 0.661741 5.94633e-18 86 63.546 0.000153786 -3.53983 63.546000 Cu 0.0546862 0.649543 0.5 87 63.546 0.000210502 -3.53982 63.546000 Cu 0.10407 0.659871 0 89 63.546 0.000444982 -3.53991 63.546000 Cu 0.0631982 0.672093 0.5 91 63.546 0.000162391 -3.53991 63.546000 Cu 0.19433 0.657841 1 216 63.546 0.000891594 -3.53993 63.546000 Cu 0.144997 0.647642 0.5 218 63.546 0.00118866 -3.53988 63.546000 Cu 0.153431 0.670138 0.5 256 63.546 0.000643105 -3.53996 63.546000 Cu 0.243637 0.667986 0.5 222 63.546 0.000161716 -3.53995 63.546000 Cu 0.284483 0.655584 9.80243e-17 219 63.546 0.000166623 -3.53992 63.546000 Cu 0.333735 0.665757 0.5 221 63.546 0.00040979 -3.53991 63.546000 Cu 0.374507 0.653375 1.33943e-17 182 63.546 0.00075973 -3.53982 63.546000 Cu 0.464503 0.65138 1 185 63.546 0.000470773 -3.53977 63.546000 Cu 0.47303 0.673996 4.91924e-17 186 63.546 0.000245644 -3.53988 63.546000 Cu 0.423748 0.663669 0.5 188 63.546 0.000407876 -3.53982 63.546000 Cu 0.382949 0.675998 8.88946e-18 223 63.546 0.000439582 -3.5399 63.546000 Cu 0.554686 0.649543 1.44153e-16 150 63.546 0.000210502 -3.53982 63.546000 Cu 0.60407 0.659871 0.5 156 63.546 0.000444982 -3.53991 63.546000 Cu 0.513843 0.661741 0.5 187 63.546 0.000153786 -3.53983 63.546000 Cu 0.563198 0.672093 2.46262e-17 189 63.546 0.000162391 -3.53991 63.546000 Cu 0.644997 0.647642 1 153 63.546 0.00118866 -3.53988 63.546000 Cu 0.653431 0.670138 4.69099e-17 154 63.546 0.000643105 -3.53996 63.546000 Cu 0.69433 0.657841 0.5 155 63.546 0.000891594 -3.53993 63.546000 Cu 0.743637 0.667986 1.77609e-16 157 63.546 0.000161716 -3.53995 63.546000 Cu 0.833735 0.665757 6.73317e-17 120 63.546 0.00040979 -3.53991 63.546000 Cu 0.784483 0.655584 0.5 122 63.546 0.000166623 -3.53992 63.546000 Cu 0.874507 0.653375 0.5 121 63.546 0.00075973 -3.53982 63.546000 Cu 0.964503 0.65138 0.5 88 63.546 0.000470773 -3.53977 63.546000 Cu 0.923748 0.663669 9.18978e-18 123 63.546 0.000407876 -3.53982 63.546000 Cu 0.97303 0.673996 0.5 125 63.546 0.000245644 -3.53988 63.546000 Cu 0.882949 0.675998 0.5 126 63.546 0.000439582 -3.5399 63.546000 Cu 0.0222807 0.684331 1.08656e-16 127 63.546 0.000109523 -3.53992 63.546000 Cu 0.0714628 0.694657 0.5 129 63.546 7.94054e-05 -3.53997 63.546000 Cu 0.11247 0.682401 1 90 63.546 0.000308064 -3.53997 63.546000 Cu 0.120649 0.704951 1 131 63.546 0.000177963 -3.53999 63.546000 Cu 0.202724 0.68035 1.2259e-16 257 63.546 0.000517292 -3.53997 63.546000 Cu 0.21087 0.702888 2.14428e-16 258 63.546 0.000203015 -3.53998 63.546000 Cu 0.16169 0.692659 0.5 260 63.546 0.000262792 -3.53999 63.546000 Cu 0.292874 0.678145 1.74185e-18 220 63.546 0.000207519 -3.53995 63.546000 Cu 0.342029 0.688359 0.5 226 63.546 0.00024793 -3.53994 63.546000 Cu 0.251911 0.690532 0.5 259 63.546 0.000119363 -3.53995 63.546000 Cu 0.30102 0.700729 1 261 63.546 5.59799e-05 -3.53994 63.546000 Cu 0.391154 0.698613 2.5407e-17 224 63.546 0.000200786 -3.53994 63.546000 Cu 0.432141 0.686295 0.5 225 63.546 0.00020739 -3.53992 63.546000 Cu 0.481308 0.696602 1 227 63.546 0.000107038 -3.53995 63.546000 Cu 0.571463 0.694657 5.94633e-18 190 63.546 7.94054e-05 -3.53997 63.546000 Cu 0.522281 0.684331 0.5 192 63.546 0.000109523 -3.53992 63.546000 Cu 0.61247 0.682401 0.5 191 63.546 0.000308064 -3.53997 63.546000 Cu 0.620649 0.704951 0.5 196 63.546 0.000177963 -3.53999 63.546000 Cu 0.702724 0.68035 0.5 160 63.546 0.000517292 -3.53997 63.546000 Cu 0.66169 0.692659 5.94633e-18 193 63.546 0.000262792 -3.53999 63.546000 Cu 0.71087 0.702888 0.5 195 63.546 0.000203015 -3.53998 63.546000 Cu 0.751911 0.690532 5.42978e-17 158 63.546 0.000119363 -3.53995 63.546000 Cu 0.792874 0.678145 0.5 159 63.546 0.000207519 -3.53995 63.546000 Cu 0.842029 0.688359 1.22651e-16 161 63.546 0.00024793 -3.53994 63.546000 Cu 0.80102 0.700729 0.5 164 63.546 5.59799e-05 -3.53994 63.546000 Cu 0.981308 0.696602 0.5 130 63.546 0.000107038 -3.53995 63.546000 Cu 0.932141 0.686295 5.94633e-18 124 63.546 0.00020739 -3.53992 63.546000 Cu 0.891154 0.698613 0.5 163 63.546 0.000200786 -3.53994 63.546000 Cu 0.0304649 0.706923 5.94633e-18 128 63.546 2.54357e-05 -3.53996 63.546000 Cu 0.0796173 0.717229 0.5 133 63.546 0.000115602 -3.53998 63.546000 Cu 0.0385107 0.729508 1 169 63.546 3.60685e-05 -3.53998 63.546000 Cu 0.128738 0.727513 0 132 63.546 0.000183976 -3.53999 63.546000 Cu 0.169815 0.715198 0.5 296 63.546 8.89794e-05 -3.53999 63.546000 Cu 0.218931 0.72544 1.77549e-16 297 63.546 9.23105e-05 -3.53998 63.546000 Cu 0.309057 0.723312 1 262 63.546 1.03016e-05 -3.53994 63.546000 Cu 0.350114 0.710953 0.5 263 63.546 0.000137436 -3.53995 63.546000 Cu 0.259987 0.713097 0.5 264 63.546 5.12217e-05 -3.53995 63.546000 Cu 0.35811 0.733537 0.5 268 63.546 0.000130513 -3.53995 63.546000 Cu 0.440296 0.708898 0.5 230 63.546 0.000122862 -3.53997 63.546000 Cu 0.399212 0.721205 1 265 63.546 0.000153922 -3.53996 63.546000 Cu 0.448282 0.731482 0.5 267 63.546 0.000117547 -3.53998 63.546000 Cu 0.489423 0.719191 6.00639e-20 228 63.546 0.00010545 -3.53997 63.546000 Cu 0.530465 0.706923 0.5 229 63.546 2.54357e-05 -3.53996 63.546000 Cu 0.579617 0.717229 5.94633e-18 231 63.546 0.000115602 -3.53998 63.546000 Cu 0.538511 0.729508 0.5 234 63.546 3.60685e-05 -3.53998 63.546000 Cu 0.669815 0.715198 5.94633e-18 194 63.546 8.89794e-05 -3.53999 63.546000 Cu 0.718931 0.72544 0.5 200 63.546 9.23105e-05 -3.53998 63.546000 Cu 0.628738 0.727513 0.5 233 63.546 0.000183976 -3.53999 63.546000 Cu 0.850114 0.710953 1 162 63.546 0.000137436 -3.53995 63.546000 Cu 0.759987 0.713097 1.72203e-16 197 63.546 5.12217e-05 -3.53995 63.546000 Cu 0.809057 0.723312 0.5 199 63.546 1.03016e-05 -3.53994 63.546000 Cu 0.85811 0.733537 1 201 63.546 0.000130513 -3.53995 63.546000 Cu 0.989423 0.719191 0.5 167 63.546 0.00010545 -3.53997 63.546000 Cu 0.940296 0.708898 6.00639e-20 165 63.546 0.000122862 -3.53997 63.546000 Cu 0.948282 0.731482 1.13401e-16 166 63.546 0.000117547 -3.53998 63.546000 Cu 0.899212 0.721205 0.5 168 63.546 0.000153922 -3.53996 63.546000 Cu 0.0464277 0.75209 1 170 63.546 4.68929e-05 -3.53998 63.546000 Cu 0.0875702 0.739803 0.5 171 63.546 8.87782e-05 -3.53998 63.546000 Cu 0.0955376 0.76238 0.5 173 63.546 0.000108803 -3.53998 63.546000 Cu 0.00536238 0.764375 0.5 207 63.546 2.8136e-05 -3.53998 63.546000 Cu 0.226866 0.747996 1.2259e-16 298 63.546 1.83241e-05 -3.53998 63.546000 Cu 0.177799 0.737756 0.5 300 63.546 2.46496e-05 -3.53998 63.546000 Cu 0.136633 0.750068 6.00639e-20 336 63.546 5.52366e-05 -3.53998 63.546000 Cu 0.185723 0.760314 0.5 338 63.546 1.65081e-05 -3.53997 63.546000 Cu 0.267995 0.73567 0.5 299 63.546 7.18834e-05 -3.53996 63.546000 Cu 0.317049 0.745893 8.37291e-17 301 63.546 2.41909e-05 -3.53995 63.546000 Cu 0.275923 0.758236 0.5 304 63.546 5.92445e-05 -3.53997 63.546000 Cu 0.366105 0.756123 0.5 303 63.546 8.56023e-05 -3.53997 63.546000 Cu 0.407181 0.743795 1.61512e-16 266 63.546 0.000108508 -3.53997 63.546000 Cu 0.45626 0.754073 0.5 272 63.546 7.98965e-05 -3.53998 63.546000 Cu 0.497355 0.741782 1.22891e-16 269 63.546 3.75188e-05 -3.53997 63.546000 Cu 0.58757 0.739803 6.00639e-20 232 63.546 8.87782e-05 -3.53998 63.546000 Cu 0.505362 0.764375 0 270 63.546 2.8136e-05 -3.53998 63.546000 Cu 0.546428 0.75209 0.5 271 63.546 4.68929e-05 -3.53998 63.546000 Cu 0.595538 0.76238 1.35444e-16 273 63.546 0.000108803 -3.53998 63.546000 Cu 0.677799 0.737756 1.43313e-16 235 63.546 2.46496e-05 -3.53998 63.546000 Cu 0.685723 0.760314 1 236 63.546 1.65081e-05 -3.53997 63.546000 Cu 0.726866 0.747996 0.5 237 63.546 1.83241e-05 -3.53998 63.546000 Cu 0.636633 0.750068 0.5 238 63.546 5.52366e-05 -3.53998 63.546000 Cu 0.767995 0.73567 7.15962e-17 198 63.546 7.18834e-05 -3.53996 63.546000 Cu 0.817049 0.745893 0.5 204 63.546 2.41909e-05 -3.53995 63.546000 Cu 0.775923 0.758236 4.27054e-17 239 63.546 5.92445e-05 -3.53997 63.546000 Cu 0.866105 0.756123 0 202 63.546 8.56023e-05 -3.53997 63.546000 Cu 0.997355 0.741782 0.5 172 63.546 3.75188e-05 -3.53997 63.546000 Cu 0.907181 0.743795 0.5 203 63.546 0.000108508 -3.53997 63.546000 Cu 0.95626 0.754073 5.17751e-17 205 63.546 7.98965e-05 -3.53998 63.546000 Cu 0.0544259 0.774677 5.94633e-18 209 63.546 9.50648e-05 -3.53998 63.546000 Cu 0.103447 0.78497 0.5 211 63.546 0.000183871 -3.53996 63.546000 Cu 0.0132484 0.786958 0.5 212 63.546 1.22381e-05 -3.53998 63.546000 Cu 0.144595 0.772637 6.00639e-20 337 63.546 5.09421e-05 -3.53996 63.546000 Cu 0.193591 0.782891 0.5 342 63.546 5.21625e-05 -3.53995 63.546000 Cu 0.234758 0.770552 0 339 63.546 2.3361e-05 -3.53997 63.546000 Cu 0.24258 0.793106 5.94633e-18 340 63.546 0.000101492 -3.53995 63.546000 Cu 0.324975 0.768453 1 302 63.546 2.90995e-05 -3.53996 63.546000 Cu 0.283784 0.780784 0.5 341 63.546 2.68974e-05 -3.53995 63.546000 Cu 0.332807 0.790988 5.94633e-18 343 63.546 0.00013173 -3.53996 63.546000 Cu 0.374014 0.778681 0.5 308 63.546 8.52677e-05 -3.53997 63.546000 Cu 0.415176 0.766375 5.94633e-18 305 63.546 0.000128031 -3.53998 63.546000 Cu 0.423021 0.788932 2.07821e-17 306 63.546 0.000163834 -3.53999 63.546000 Cu 0.464221 0.776649 0.5 307 63.546 8.93332e-05 -3.53999 63.546000 Cu 0.603447 0.78497 5.94633e-18 274 63.546 0.000183871 -3.53996 63.546000 Cu 0.554426 0.774677 0.5 276 63.546 9.50648e-05 -3.53998 63.546000 Cu 0.513248 0.786958 6.39681e-17 309 63.546 1.22381e-05 -3.53998 63.546000 Cu 0.644595 0.772637 0.5 275 63.546 5.09421e-05 -3.53996 63.546000 Cu 0.693591 0.782891 1 277 63.546 5.21625e-05 -3.53995 63.546000 Cu 0.734758 0.770552 0.5 242 63.546 2.3361e-05 -3.53997 63.546000 Cu 0.74258 0.793106 0.5 279 63.546 0.000101492 -3.53995 63.546000 Cu 0.783784 0.780784 1.22711e-16 240 63.546 2.68974e-05 -3.53995 63.546000 Cu 0.824975 0.768453 0.5 241 63.546 2.90995e-05 -3.53996 63.546000 Cu 0.832807 0.790988 0.5 246 63.546 0.00013173 -3.53996 63.546000 Cu 0.874014 0.778681 1 243 63.546 8.52677e-05 -3.53997 63.546000 Cu 0.964221 0.776649 5.94633e-18 206 63.546 8.93332e-05 -3.53999 63.546000 Cu 0.915176 0.766375 0.5 208 63.546 0.000128031 -3.53998 63.546000 Cu 0.923021 0.788932 0.5 245 63.546 0.000163834 -3.53999 63.546000 Cu 0.0622781 0.797269 1 210 63.546 0.000167253 -3.53997 63.546000 Cu 0.0211829 0.809551 0.5 249 63.546 0.000127277 -3.53996 63.546000 Cu 0.0703312 0.819866 1 251 63.546 0.000245487 -3.53994 63.546000 Cu 0.111354 0.807556 0.5 213 63.546 0.00022492 -3.53996 63.546000 Cu 0.152435 0.795224 1 378 63.546 0.000122047 -3.53995 63.546000 Cu 0.160453 0.817808 1.69921e-16 379 63.546 0.000214071 -3.53995 63.546000 Cu 0.20149 0.805457 0.5 380 63.546 0.000103381 -3.53996 63.546000 Cu 0.340835 0.813521 1.22711e-16 344 63.546 0.000196463 -3.53997 63.546000 Cu 0.291675 0.803315 0.5 346 63.546 8.55085e-05 -3.53996 63.546000 Cu 0.250606 0.815653 5.94633e-18 381 63.546 5.96671e-05 -3.53995 63.546000 Cu 0.472088 0.799224 0.5 312 63.546 0.000117407 -3.53998 63.546000 Cu 0.38189 0.801226 0.5 345 63.546 0.000173874 -3.53999 63.546000 Cu 0.431018 0.811496 5.94633e-18 347 63.546 0.000163545 -3.53998 63.546000 Cu 0.480185 0.821809 0.5 349 63.546 5.45037e-05 -3.53995 63.546000 Cu 0.521183 0.809551 5.94633e-18 310 63.546 0.000127277 -3.53996 63.546000 Cu 0.562278 0.797269 0.5 311 63.546 0.000167253 -3.53997 63.546000 Cu 0.570331 0.819866 0.5 316 63.546 0.000245487 -3.53994 63.546000 Cu 0.611354 0.807556 5.30364e-17 313 63.546 0.00022492 -3.53996 63.546000 Cu 0.70149 0.805457 5.94633e-18 278 63.546 0.000103381 -3.53996 63.546000 Cu 0.652435 0.795224 0.5 280 63.546 0.000122047 -3.53995 63.546000 Cu 0.660453 0.817808 0.5 315 63.546 0.000214071 -3.53995 63.546000 Cu 0.791675 0.803315 9.3039e-17 281 63.546 8.55085e-05 -3.53996 63.546000 Cu 0.840835 0.813521 0.5 283 63.546 0.000196463 -3.53997 63.546000 Cu 0.750606 0.815653 0.5 284 63.546 5.96671e-05 -3.53995 63.546000 Cu 0.980185 0.821809 1 248 63.546 5.45037e-05 -3.53995 63.546000 Cu 0.88189 0.801226 1 244 63.546 0.000173874 -3.53999 63.546000 Cu 0.972088 0.799224 1.22651e-16 247 63.546 0.000117407 -3.53998 63.546000 Cu 0.931018 0.811496 0.5 250 63.546 0.000163545 -3.53998 63.546000 Cu 0.0785729 0.842468 1 252 63.546 0.000417788 -3.53989 63.546000 Cu 0.0293812 0.832146 0.5 254 63.546 0.000186605 -3.53991 63.546000 Cu 0.11948 0.830153 0.5 253 63.546 0.000366453 -3.53994 63.546000 Cu 0.127715 0.852759 0.5 255 63.546 0.000655194 -3.53986 63.546000 Cu 0.209584 0.828013 0.5 384 63.546 0.000107559 -3.53995 63.546000 Cu 0.168651 0.840397 1.00487e-16 416 63.546 0.000428975 -3.53993 63.546000 Cu 0.21777 0.85057 0.5 418 63.546 0.000176552 -3.53988 63.546000 Cu 0.258755 0.838178 7.29777e-17 382 63.546 0.00014338 -3.53992 63.546000 Cu 0.299763 0.82583 0.5 383 63.546 0.000271275 -3.53995 63.546000 Cu 0.348921 0.836037 1 385 63.546 0.000435977 -3.53995 63.546000 Cu 0.307943 0.848332 0.5 388 63.546 0.000580727 -3.5399 63.546000 Cu 0.439187 0.83405 1.18326e-16 348 63.546 0.000180644 -3.53995 63.546000 Cu 0.389984 0.823768 0.5 350 63.546 0.000194015 -3.53998 63.546000 Cu 0.398198 0.84628 0.5 387 63.546 0.000385714 -3.53993 63.546000 Cu 0.488448 0.844377 0.5 354 63.546 8.41625e-05 -3.53989 63.546000 Cu 0.529381 0.832146 5.94633e-18 351 63.546 0.000186605 -3.53991 63.546000 Cu 0.578573 0.842468 0.5 353 63.546 0.000417788 -3.53989 63.546000 Cu 0.61948 0.830153 7.7062e-17 314 63.546 0.000366453 -3.53994 63.546000 Cu 0.709584 0.828013 5.94633e-18 317 63.546 0.000107559 -3.53995 63.546000 Cu 0.71777 0.85057 1 318 63.546 0.000176552 -3.53988 63.546000 Cu 0.668651 0.840397 0.5 320 63.546 0.000428975 -3.53993 63.546000 Cu 0.627715 0.852759 1 355 63.546 0.000655194 -3.53986 63.546000 Cu 0.799763 0.82583 1 282 63.546 0.000271275 -3.53995 63.546000 Cu 0.848921 0.836037 0.5 288 63.546 0.000435977 -3.53995 63.546000 Cu 0.758755 0.838178 0.5 319 63.546 0.00014338 -3.53992 63.546000 Cu 0.807943 0.848332 5.94633e-18 321 63.546 0.000580727 -3.5399 63.546000 Cu 0.988448 0.844377 9.79643e-17 289 63.546 8.41625e-05 -3.53989 63.546000 Cu 0.889984 0.823768 1 285 63.546 0.000194015 -3.53998 63.546000 Cu 0.898198 0.84628 1.2259e-16 286 63.546 0.000385714 -3.53993 63.546000 Cu 0.939187 0.83405 0.5 287 63.546 0.000180644 -3.53995 63.546000 Cu 0.0376824 0.854747 0.5 291 63.546 0.000473127 -3.53983 63.546000 Cu 0.0868268 0.865106 1.01628e-16 293 63.546 0.00111402 -3.53975 63.546000 Cu 0.0459507 0.877384 0.5 295 63.546 0.00102034 -3.53965 63.546000 Cu 0.176801 0.86299 1.86198e-18 417 63.546 0.000794471 -3.53982 63.546000 Cu 0.225863 0.873122 0.5 422 63.546 0.000474733 -3.53969 63.546000 Cu 0.135905 0.875415 0.5 446 63.546 0.00168186 -3.53966 63.546000 Cu 0.266906 0.860678 1.20128e-19 419 63.546 0.000617284 -3.5398 63.546000 Cu 0.316082 0.870794 0.5 421 63.546 0.00149581 -3.53971 63.546000 Cu 0.357203 0.858523 1.36165e-16 386 63.546 0.000773394 -3.53986 63.546000 Cu 0.365366 0.88095 1.23612e-16 423 63.546 0.00223314 -3.53961 63.546000 Cu 0.447515 0.856581 1.24452e-16 389 63.546 0.000333174 -3.53989 63.546000 Cu 0.45578 0.879118 1 390 63.546 0.000546068 -3.53977 63.546000 Cu 0.406502 0.868771 0.5 392 63.546 0.000882492 -3.53984 63.546000 Cu 0.496764 0.866958 0.5 391 63.546 0.00020648 -3.53979 63.546000 Cu 0.537682 0.854747 1.22711e-16 352 63.546 0.000473127 -3.53983 63.546000 Cu 0.586827 0.865106 0.5 358 63.546 0.00111402 -3.53975 63.546000 Cu 0.545951 0.877384 1 393 63.546 0.00102034 -3.53965 63.546000 Cu 0.635905 0.875415 0 356 63.546 0.00168186 -3.53966 63.546000 Cu 0.676801 0.86299 0.5 357 63.546 0.000794471 -3.53982 63.546000 Cu 0.725863 0.873122 1 359 63.546 0.000474733 -3.53969 63.546000 Cu 0.816082 0.870794 5.94633e-18 322 63.546 0.00149581 -3.53971 63.546000 Cu 0.766906 0.860678 0.5 324 63.546 0.000617284 -3.5398 63.546000 Cu 0.857203 0.858523 0.5 323 63.546 0.000773394 -3.53986 63.546000 Cu 0.865366 0.88095 0.5 328 63.546 0.00223314 -3.53961 63.546000 Cu 0.996764 0.866958 7.20767e-19 290 63.546 0.00020648 -3.53979 63.546000 Cu 0.947515 0.856581 0.5 292 63.546 0.000333174 -3.53989 63.546000 Cu 0.906502 0.868771 5.94633e-18 325 63.546 0.000882492 -3.53984 63.546000 Cu 0.95578 0.879118 0.5 327 63.546 0.000546068 -3.53977 63.546000 Cu 0.0950447 0.887794 0 294 63.546 0.0024844 -3.53945 63.546000 Cu 0.00503824 0.889572 1 329 63.546 0.000706225 -3.53959 63.546000 Cu 0.0541879 0.900076 0.5 331 63.546 0.00258217 -3.5393 63.546000 Cu 0.103269 0.910559 1 333 63.546 0.00614063 -3.53882 63.546000 Cu 0.184908 0.885624 6.00639e-20 447 63.546 0.00185729 -3.53952 63.546000 Cu 0.19292 0.908302 2.45361e-16 448 63.546 0.00451818 -3.53879 63.546000 Cu 0.144029 0.898124 0.5 450 63.546 0.00386201 -3.5392 63.546000 Cu 0.233853 0.895684 0.5 449 63.546 0.00132369 -3.53918 63.546000 Cu 0.274939 0.883146 0 420 63.546 0.00213103 -3.53945 63.546000 Cu 0.32414 0.893191 0.5 426 63.546 0.0043482 -3.53922 63.546000 Cu 0.282867 0.905557 2.45481e-16 451 63.546 0.00683821 -3.53851 63.546000 Cu 0.373419 0.903323 1.22771e-16 424 63.546 0.00526026 -3.53913 63.546000 Cu 0.414683 0.891228 0.5 425 63.546 0.00183378 -3.53961 63.546000 Cu 0.463976 0.901652 5.94633e-18 427 63.546 0.000849496 -3.53949 63.546000 Cu 0.554188 0.900076 1.2259e-16 394 63.546 0.00258217 -3.5393 63.546000 Cu 0.595045 0.887794 0.5 395 63.546 0.0024844 -3.53945 63.546000 Cu 0.505038 0.889572 0.5 396 63.546 0.000706225 -3.53959 63.546000 Cu 0.603269 0.910559 0.5 400 63.546 0.00614063 -3.53882 63.546000 Cu 0.684908 0.885624 0.5 362 63.546 0.00185729 -3.53952 63.546000 Cu 0.644029 0.898124 1.2259e-16 397 63.546 0.00386201 -3.5392 63.546000 Cu 0.69292 0.908302 0.5 399 63.546 0.00451818 -3.53879 63.546000 Cu 0.733853 0.895684 1 360 63.546 0.00132369 -3.53918 63.546000 Cu 0.774939 0.883146 0.5 361 63.546 0.00213103 -3.53945 63.546000 Cu 0.82414 0.893191 1.22711e-16 363 63.546 0.0043482 -3.53922 63.546000 Cu 0.782867 0.905557 0.5 366 63.546 0.00683821 -3.53851 63.546000 Cu 0.873419 0.903323 0.5 365 63.546 0.00526026 -3.53913 63.546000 Cu 0.914683 0.891228 5.94633e-18 326 63.546 0.00183378 -3.53961 63.546000 Cu 0.963976 0.901652 0.5 332 63.546 0.000849496 -3.53949 63.546000 Cu 0.0132454 0.912207 1.94607e-17 330 63.546 0.00144949 -3.53916 63.546000 Cu 0.0624385 0.922824 0.5 335 63.546 0.00528232 -3.5385 63.546000 Cu 0.021566 0.934871 1.22711e-16 371 63.546 0.00288706 -3.53816 63.546000 Cu 0.111518 0.933429 3.67952e-16 334 63.546 0.013641 -3.53734 63.546000 Cu 0.152138 0.92093 0.5 470 63.546 0.00984463 -3.538 63.546000 Cu 0.200908 0.931075 1.2247e-16 471 63.546 0.0127215 -3.53678 63.546000 Cu 0.241718 0.918259 0.5 454 63.546 0.00418554 -3.53784 63.546000 Cu 0.249416 0.940884 0.5 473 63.546 0.0159986 -3.53331 63.546000 Cu 0.290688 0.927875 1 452 63.546 0.0237048 -3.53562 63.546000 Cu 0.332089 0.915494 0.5 453 63.546 0.0131535 -3.5381 63.546000 Cu 0.339952 0.937671 0.5 458 63.546 0.0375345 -3.53556 63.546000 Cu 0.47219 0.924181 7.35783e-17 428 63.546 0.00129928 -3.53883 63.546000 Cu 0.422795 0.913648 0.5 430 63.546 0.00327936 -3.5391 63.546000 Cu 0.381504 0.925617 1 455 63.546 0.0112011 -3.53814 63.546000 Cu 0.430975 0.936033 0.5 457 63.546 0.00494234 -3.53802 63.546000 Cu 0.513245 0.912207 0.5 429 63.546 0.00144949 -3.53916 63.546000 Cu 0.562438 0.922824 1.87339e-16 431 63.546 0.00528232 -3.5385 63.546000 Cu 0.521566 0.934871 0.5 434 63.546 0.00288706 -3.53816 63.546000 Cu 0.611518 0.933429 0.5 433 63.546 0.013641 -3.53734 63.546000 Cu 0.652138 0.92093 1 398 63.546 0.00984463 -3.538 63.546000 Cu 0.700908 0.931075 0.5 404 63.546 0.0127215 -3.53678 63.546000 Cu 0.741718 0.918259 1 401 63.546 0.00418554 -3.53784 63.546000 Cu 0.749416 0.940884 1 402 63.546 0.0159986 -3.53331 63.546000 Cu 0.832089 0.915494 9.21981e-17 364 63.546 0.0131535 -3.5381 63.546000 Cu 0.790688 0.927875 0.5 403 63.546 0.0237048 -3.53562 63.546000 Cu 0.839952 0.937671 5.94633e-18 405 63.546 0.0375345 -3.53556 63.546000 Cu 0.922795 0.913648 2.33408e-16 367 63.546 0.00327936 -3.5391 63.546000 Cu 0.930975 0.936033 5.94633e-18 368 63.546 0.00494234 -3.53802 63.546000 Cu 0.97219 0.924181 0.5 369 63.546 0.00129928 -3.53883 63.546000 Cu 0.881504 0.925617 0.5 370 63.546 0.0112011 -3.53814 63.546000 Cu 0.0300062 0.957582 2.45301e-16 372 63.546 0.0052388 -3.53618 63.546000 Cu 0.0708051 0.945663 0.5 373 63.546 0.00999963 -3.53665 63.546000 Cu 0.0793332 0.968648 0.5 377 63.546 0.0209238 -3.53317 63.546000 Cu 0.119857 0.956473 1.26555e-16 375 63.546 0.0299091 -3.53307 63.546000 Cu 0.208794 0.954035 1 472 63.546 0.0410256 -3.53095 63.546000 Cu 0.160287 0.943904 0.5 474 63.546 0.02624 -3.53502 63.546000 Cu 0.168394 0.967146 0.5 484 63.546 0.0718133 -3.52227 63.546000 Cu 0.298269 0.950006 1 475 63.546 0.10169 -3.52471 63.546000 Cu 0.347776 0.959671 0.5 477 63.546 0.102956 -3.52899 63.546000 Cu 0.25667 0.963682 0.5 478 63.546 0.0801607 -3.51929 63.546000 Cu 0.389556 0.947817 3.68072e-16 456 63.546 0.0192694 -3.53597 63.546000 Cu 0.43929 0.958351 0.5 462 63.546 0.00781617 -3.5358 63.546000 Cu 0.480534 0.946701 1 459 63.546 0.00253717 -3.53743 63.546000 Cu 0.488922 0.969222 1 460 63.546 0.00612429 -3.53573 63.546000 Cu 0.397827 0.969876 5.94633e-18 479 63.546 0.0291784 -3.53246 63.546000 Cu 0.570805 0.945663 1 432 63.546 0.00999963 -3.53665 63.546000 Cu 0.530006 0.957582 0.5 461 63.546 0.0052388 -3.53618 63.546000 Cu 0.579333 0.968648 1 463 63.546 0.0209238 -3.53317 63.546000 Cu 0.619857 0.956473 0.5 438 63.546 0.0299091 -3.53307 63.546000 Cu 0.660287 0.943904 5.94633e-18 435 63.546 0.02624 -3.53502 63.546000 Cu 0.668394 0.967146 1.2259e-16 436 63.546 0.0718133 -3.52227 63.546000 Cu 0.708794 0.954035 0.5 437 63.546 0.0410256 -3.53095 63.546000 Cu 0.847776 0.959671 5.94633e-18 406 63.546 0.102956 -3.52899 63.546000 Cu 0.798269 0.950006 0.5 408 63.546 0.10169 -3.52471 63.546000 Cu 0.75667 0.963682 5.94633e-18 439 63.546 0.0801607 -3.51929 63.546000 Cu 0.980534 0.946701 0.5 374 63.546 0.00253717 -3.53743 63.546000 Cu 0.988922 0.969222 0.5 411 63.546 0.00612429 -3.53573 63.546000 Cu 0.889556 0.947817 0.5 407 63.546 0.0192694 -3.53597 63.546000 Cu 0.93929 0.958351 1 409 63.546 0.00781617 -3.5358 63.546000 Cu 0.897827 0.969876 0.5 412 63.546 0.0291784 -3.53246 63.546000 Cu 0.0380761 0.980345 5.94633e-18 413 63.546 0.016222 -3.53575 63.546000 Cu 0.0866958 0.991639 0.5 414 63.546 0.0605605 -3.53457 63.546000 Cu 0.128698 0.979881 1 376 63.546 0.100675 -3.52575 63.546000 Cu 0.216598 0.977375 1 485 63.546 0.261085 -3.48578 63.546000 Cu 0.177909 0.991321 0.5 488 63.546 0.553037 -3.4906 63.546000 Cu 0.305732 0.971745 1.22651e-16 476 63.546 0.432164 -3.48987 63.546000 Cu 0.263799 0.986407 0.5 487 63.546 5.49835 -3.36516 63.546000 Cu 0.314904 0.992804 1 489 63.546 7.11711 -3.3781 63.546000 Cu 0.356022 0.981388 0.5 482 63.546 0.262089 -3.51461 63.546000 Cu 0.405247 0.99193 5.94633e-18 480 63.546 0.0847565 -3.53241 63.546000 Cu 0.447301 0.980653 0.5 481 63.546 0.0223429 -3.53477 63.546000 Cu 0.495694 0.991797 2.94313e-18 483 63.546 0.0536785 -3.53761 63.546000 Cu 0.586696 0.991639 1 464 63.546 0.0605605 -3.53457 63.546000 Cu 0.538076 0.980345 0.5 466 63.546 0.016222 -3.53575 63.546000 Cu 0.716598 0.977375 0.5 442 63.546 0.261085 -3.48578 63.546000 Cu 0.628698 0.979881 0.5 465 63.546 0.100675 -3.52575 63.546000 Cu 0.677909 0.991321 3.11131e-17 467 63.546 0.553037 -3.4906 63.546000 Cu 0.763799 0.986407 2.99479e-16 440 63.546 5.49835 -3.36516 63.546000 Cu 0.805732 0.971745 0.5 441 63.546 0.432164 -3.48987 63.546000 Cu 0.814904 0.992804 0.5 445 63.546 7.11711 -3.3781 63.546000 Cu 0.856022 0.981388 3.07707e-16 443 63.546 0.262089 -3.51461 63.546000 Cu 0.995694 0.991797 0.5 415 63.546 0.0536785 -3.53761 63.546000 Cu 0.947301 0.980653 1.10998e-16 410 63.546 0.0223429 -3.53477 63.546000 Cu 0.905247 0.99193 0.5 444 63.546 0.0847565 -3.53241