Number of particles = 972 A = 1 Angstrom (basic length-scale) H0(1,1) = 28.2043 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) = 3.61018 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 0.0371742 0.0258363 0 498 63.546 0.0146048 -3.53464 63.546000 Cu 0.0423713 0.00309138 5.40573e-17 501 63.546 0.095954 -3.5369 63.546000 Cu 0.0861491 0.0145272 0.5 503 63.546 0.0562283 -3.53348 63.546000 Cu 0.134531 0.00306177 0 502 63.546 0.214202 -3.52159 63.546000 Cu 0.17731 0.0147592 0.5 517 63.546 0.550433 -3.48841 63.546000 Cu 0.127726 0.0262532 4.26452e-18 515 63.546 0.0949524 -3.52447 63.546000 Cu 0.230064 0.00300537 0 519 63.546 5.22429 -3.37691 63.546000 Cu 0.314431 0.0132774 1 520 63.546 7.13694 -3.37714 63.546000 Cu 0.263145 0.0196319 0.5 521 63.546 5.51295 -3.3673 63.546000 Cu 0.36199 0.00306772 0.5 522 63.546 3.81478 -3.44993 63.546000 Cu 0.355115 0.0247169 0.5 543 63.546 0.260636 -3.51493 63.546000 Cu 0.404771 0.0142303 1 545 63.546 0.0847799 -3.53194 63.546000 Cu 0.45119 0.00309421 0.5 547 63.546 0.0719444 -3.53715 63.546000 Cu 0.446432 0.0255219 0.5 548 63.546 0.0225687 -3.5338 63.546000 Cu 0.495187 0.01438 1 546 63.546 0.0505771 -3.5369 63.546000 Cu 0.542371 0.00309138 0.5 549 63.546 0.095954 -3.5369 63.546000 Cu 0.537174 0.0258363 0.5 577 63.546 0.0146048 -3.53464 63.546000 Cu 0.586149 0.0145272 1 579 63.546 0.0562283 -3.53348 63.546000 Cu 0.634531 0.00306177 0.5 581 63.546 0.214202 -3.52159 63.546000 Cu 0.627726 0.0262532 0.5 582 63.546 0.0949524 -3.52447 63.546000 Cu 0.67731 0.0147592 6.00637e-20 580 63.546 0.550433 -3.48841 63.546000 Cu 0.730064 0.00300537 0.5 583 63.546 5.22429 -3.37691 63.546000 Cu 0.763145 0.0196319 6.00637e-20 621 63.546 5.51295 -3.3673 63.546000 Cu 0.86199 0.00306772 0 491 63.546 3.81478 -3.44993 63.546000 Cu 0.855115 0.0247169 1 622 63.546 0.260636 -3.51493 63.546000 Cu 0.814431 0.0132774 0.5 623 63.546 7.13694 -3.37714 63.546000 Cu 0.904771 0.0142303 0.5 493 63.546 0.0847799 -3.53194 63.546000 Cu 0.95119 0.00309421 1.2265e-16 492 63.546 0.0719444 -3.53715 63.546000 Cu 0.946432 0.0255219 8.42693e-17 497 63.546 0.0225687 -3.5338 63.546000 Cu 0.995187 0.01438 0.5 499 63.546 0.0505771 -3.5369 63.546000 Cu 0.0284819 0.048592 0 511 63.546 0.00462922 -3.53551 63.546000 Cu 0.0780193 0.0375173 0.5 513 63.546 0.0178588 -3.53225 63.546000 Cu 0.118311 0.0496444 3.78401e-18 512 63.546 0.0300702 -3.53267 63.546000 Cu 0.21565 0.0286747 0 516 63.546 0.272017 -3.48591 63.546000 Cu 0.167118 0.0389366 0.5 518 63.546 0.0761997 -3.52209 63.546000 Cu 0.207227 0.0520221 0 537 63.546 0.0447117 -3.53122 63.546000 Cu 0.255338 0.0423843 0.5 539 63.546 0.0776833 -3.52076 63.546000 Cu 0.304563 0.0342951 0 541 63.546 0.408304 -3.49122 63.546000 Cu 0.346277 0.0464437 0.5 544 63.546 0.104478 -3.52943 63.546000 Cu 0.39662 0.0362644 1.80191e-19 542 63.546 0.0307004 -3.53212 63.546000 Cu 0.437745 0.0478115 0.5 573 63.546 0.00816497 -3.53531 63.546000 Cu 0.487645 0.0369601 0 575 63.546 0.00541356 -3.53483 63.546000 Cu 0.528482 0.048592 0.5 578 63.546 0.00462922 -3.53551 63.546000 Cu 0.578019 0.0375173 0 576 63.546 0.0178588 -3.53225 63.546000 Cu 0.618311 0.0496444 0.5 615 63.546 0.0300702 -3.53267 63.546000 Cu 0.667118 0.0389366 4.44471e-18 617 63.546 0.0761997 -3.52209 63.546000 Cu 0.755338 0.0423843 0 618 63.546 0.0776833 -3.52076 63.546000 Cu 0.71565 0.0286747 0.5 619 63.546 0.272017 -3.48591 63.546000 Cu 0.707227 0.0520221 0.5 620 63.546 0.0447117 -3.53122 63.546000 Cu 0.804563 0.0342951 0.5 624 63.546 0.408304 -3.49122 63.546000 Cu 0.846277 0.0464437 6.00637e-20 665 63.546 0.104478 -3.52943 63.546000 Cu 0.89662 0.0362644 0.5 495 63.546 0.0307004 -3.53212 63.546000 Cu 0.937745 0.0478115 1.2265e-16 494 63.546 0.00816497 -3.53531 63.546000 Cu 0.987645 0.0369601 0.5 500 63.546 0.00541356 -3.53483 63.546000 Cu 0.0690463 0.0604856 0.5 514 63.546 0.00931064 -3.53625 63.546000 Cu 0.109525 0.0726836 0 533 63.546 0.0137766 -3.53717 63.546000 Cu 0.0195838 0.0712786 6.00637e-20 508 63.546 0.00270663 -3.53783 63.546000 Cu 0.198899 0.0750071 0 534 63.546 0.0131761 -3.53687 63.546000 Cu 0.158507 0.0621838 0.5 535 63.546 0.0276074 -3.53499 63.546000 Cu 0.296586 0.0560588 6.00637e-20 538 63.546 0.0945485 -3.52613 63.546000 Cu 0.247577 0.0651765 0.5 540 63.546 0.0169592 -3.53385 63.546000 Cu 0.288612 0.0782072 0 567 63.546 0.0218281 -3.53598 63.546000 Cu 0.338005 0.0684369 0.5 569 63.546 0.0377632 -3.53574 63.546000 Cu 0.379354 0.0805179 0 568 63.546 0.0121211 -3.53814 63.546000 Cu 0.387746 0.0583206 0 571 63.546 0.0205517 -3.53593 63.546000 Cu 0.42898 0.0701242 0.5 574 63.546 0.00569738 -3.53781 63.546000 Cu 0.478743 0.0594679 1.2265e-16 572 63.546 0.00252439 -3.53691 63.546000 Cu 0.519584 0.0712786 0.5 611 63.546 0.00270663 -3.53783 63.546000 Cu 0.569046 0.0604856 0 613 63.546 0.00931064 -3.53625 63.546000 Cu 0.658507 0.0621838 0 614 63.546 0.0276074 -3.53499 63.546000 Cu 0.609525 0.0726836 0.5 616 63.546 0.0137766 -3.53717 63.546000 Cu 0.698899 0.0750071 0.5 659 63.546 0.0131761 -3.53687 63.546000 Cu 0.747577 0.0651765 0 661 63.546 0.0169592 -3.53385 63.546000 Cu 0.796586 0.0560588 0.5 663 63.546 0.0945485 -3.52613 63.546000 Cu 0.788612 0.0782072 0.5 664 63.546 0.0218281 -3.53598 63.546000 Cu 0.887746 0.0583206 0.5 496 63.546 0.0205517 -3.53593 63.546000 Cu 0.879354 0.0805179 0.5 505 63.546 0.0121211 -3.53814 63.546000 Cu 0.838005 0.0684369 0 662 63.546 0.0377632 -3.53574 63.546000 Cu 0.92898 0.0701242 6.00637e-20 507 63.546 0.00569738 -3.53781 63.546000 Cu 0.978743 0.0594679 0.5 509 63.546 0.00252439 -3.53691 63.546000 Cu 0.100984 0.0955448 1.2289e-16 530 63.546 0.00623073 -3.53878 63.546000 Cu 0.0603332 0.0833016 0.5 531 63.546 0.00502621 -3.53837 63.546000 Cu 0.0518053 0.106035 0.5 532 63.546 0.00251927 -3.53923 63.546000 Cu 0.010996 0.0939242 0 529 63.546 0.00136231 -3.53897 63.546000 Cu 0.150023 0.0851541 0.5 536 63.546 0.0110997 -3.53799 63.546000 Cu 0.190661 0.0977891 0 563 63.546 0.00443566 -3.53883 63.546000 Cu 0.141679 0.107961 0.5 561 63.546 0.00481426 -3.53912 63.546000 Cu 0.239589 0.0878211 0.5 565 63.546 0.0042027 -3.538 63.546000 Cu 0.280522 0.100537 0 564 63.546 0.00563078 -3.53871 63.546000 Cu 0.329832 0.0906248 0.5 570 63.546 0.0140114 -3.53833 63.546000 Cu 0.371028 0.102817 0 605 63.546 0.00624997 -3.53913 63.546000 Cu 0.420544 0.092489 0.5 607 63.546 0.00346546 -3.53894 63.546000 Cu 0.461575 0.104475 2.28843e-17 606 63.546 0.000765714 -3.5393 63.546000 Cu 0.470089 0.0819642 1.2271e-16 609 63.546 0.00145544 -3.53859 63.546000 Cu 0.510996 0.0939242 0.5 612 63.546 0.00136231 -3.53897 63.546000 Cu 0.551805 0.106035 2.91309e-17 653 63.546 0.00251927 -3.53923 63.546000 Cu 0.560333 0.0833016 0 610 63.546 0.00502621 -3.53837 63.546000 Cu 0.600984 0.0955448 0.5 655 63.546 0.00623073 -3.53878 63.546000 Cu 0.650023 0.0851541 1.2271e-16 657 63.546 0.0110997 -3.53799 63.546000 Cu 0.641679 0.107961 2.13586e-16 654 63.546 0.00481426 -3.53912 63.546000 Cu 0.739589 0.0878211 0 658 63.546 0.0042027 -3.538 63.546000 Cu 0.690661 0.0977891 0.5 660 63.546 0.00443566 -3.53883 63.546000 Cu 0.780522 0.100537 0.5 703 63.546 0.00563078 -3.53871 63.546000 Cu 0.871028 0.102817 0.5 506 63.546 0.00624997 -3.53913 63.546000 Cu 0.829832 0.0906248 4.74503e-18 705 63.546 0.0140114 -3.53833 63.546000 Cu 0.920544 0.092489 0 504 63.546 0.00346546 -3.53894 63.546000 Cu 0.970089 0.0819642 0.5 510 63.546 0.00145544 -3.53859 63.546000 Cu 0.961575 0.104475 0.5 527 63.546 0.000765714 -3.5393 63.546000 Cu 0.0432835 0.128705 0.5 557 63.546 0.00135145 -3.53959 63.546000 Cu 0.0925446 0.118301 1.80191e-19 559 63.546 0.00291778 -3.53942 63.546000 Cu 0.00247321 0.116539 1.70521e-16 526 63.546 0.000633002 -3.53948 63.546000 Cu 0.182365 0.120486 1.06373e-16 560 63.546 0.00168329 -3.53953 63.546000 Cu 0.133234 0.130688 0.5 562 63.546 0.00171896 -3.53961 63.546000 Cu 0.231417 0.110421 0.5 566 63.546 0.00132361 -3.5393 63.546000 Cu 0.223135 0.132997 0.5 599 63.546 0.00040949 -3.53977 63.546000 Cu 0.272334 0.122966 0 601 63.546 0.0016258 -3.53958 63.546000 Cu 0.321615 0.112955 0.5 603 63.546 0.00579364 -3.53934 63.546000 Cu 0.362675 0.12519 2.4542e-16 602 63.546 0.00282582 -3.53962 63.546000 Cu 0.412113 0.114904 0.5 608 63.546 0.00184113 -3.53949 63.546000 Cu 0.45308 0.126992 1 649 63.546 0.000395222 -3.53963 63.546000 Cu 0.543284 0.128705 0 650 63.546 0.00135145 -3.53959 63.546000 Cu 0.502473 0.116539 0.5 651 63.546 0.000633002 -3.53948 63.546000 Cu 0.592545 0.118301 0.5 656 63.546 0.00291778 -3.53942 63.546000 Cu 0.633234 0.130688 1.11899e-16 697 63.546 0.00171896 -3.53961 63.546000 Cu 0.682365 0.120486 0.5 699 63.546 0.00168329 -3.53953 63.546000 Cu 0.723135 0.132997 2.94252e-16 698 63.546 0.00040949 -3.53977 63.546000 Cu 0.731417 0.110421 0 701 63.546 0.00132361 -3.5393 63.546000 Cu 0.772334 0.122966 0.5 704 63.546 0.0016258 -3.53958 63.546000 Cu 0.862675 0.12519 0.5 524 63.546 0.00282582 -3.53962 63.546000 Cu 0.821615 0.112955 1.2283e-16 702 63.546 0.00579364 -3.53934 63.546000 Cu 0.912113 0.114904 1.2283e-16 525 63.546 0.00184113 -3.53949 63.546000 Cu 0.95308 0.126992 0.5 528 63.546 0.000395222 -3.53963 63.546000 Cu 0.0840317 0.140986 1.2301e-16 556 63.546 0.00126605 -3.53971 63.546000 Cu 0.0347838 0.151342 0.5 558 63.546 0.00051864 -3.53979 63.546000 Cu 0.124797 0.153347 0.5 595 63.546 0.00075373 -3.53981 63.546000 Cu 0.173942 0.143124 6.00637e-20 597 63.546 0.000749806 -3.5398 63.546000 Cu 0.21478 0.155567 0.5 600 63.546 0.000179182 -3.53988 63.546000 Cu 0.263963 0.14545 0 598 63.546 0.000676873 -3.53987 63.546000 Cu 0.313286 0.135357 0.5 604 63.546 0.00225111 -3.53974 63.546000 Cu 0.304922 0.15781 0.5 643 63.546 0.000788244 -3.5399 63.546000 Cu 0.354254 0.147625 4.51078e-17 645 63.546 0.00141218 -3.53984 63.546000 Cu 0.40366 0.137357 0.5 647 63.546 0.000959561 -3.53975 63.546000 Cu 0.395244 0.15984 0.5 648 63.546 0.000512175 -3.53989 63.546000 Cu 0.444604 0.149505 1.20127e-19 646 63.546 0.000183641 -3.53982 63.546000 Cu 0.49396 0.139123 0.5 652 63.546 0.000403044 -3.53973 63.546000 Cu 0.485524 0.161703 0.5 691 63.546 0.0002018 -3.53988 63.546000 Cu 0.534784 0.151342 6.00637e-20 693 63.546 0.00051864 -3.53979 63.546000 Cu 0.624797 0.153347 5.53787e-17 694 63.546 0.00075373 -3.53981 63.546000 Cu 0.584032 0.140986 0.5 695 63.546 0.00126605 -3.53971 63.546000 Cu 0.673942 0.143124 0.5 700 63.546 0.000749806 -3.5398 63.546000 Cu 0.71478 0.155567 4.92522e-17 741 63.546 0.000179182 -3.53988 63.546000 Cu 0.763963 0.14545 0.5 743 63.546 0.000676873 -3.53987 63.546000 Cu 0.804922 0.15781 0 742 63.546 0.000788244 -3.5399 63.546000 Cu 0.813286 0.135357 2.4542e-16 745 63.546 0.00225111 -3.53974 63.546000 Cu 0.854254 0.147625 0.5 746 63.546 0.00141218 -3.53984 63.546000 Cu 0.90366 0.137357 0 523 63.546 0.000959561 -3.53975 63.546000 Cu 0.895244 0.15984 0 551 63.546 0.000512175 -3.53989 63.546000 Cu 0.985524 0.161703 1 552 63.546 0.0002018 -3.53988 63.546000 Cu 0.944604 0.149505 0.5 553 63.546 0.000183641 -3.53982 63.546000 Cu 0.99396 0.139123 1.66376e-16 555 63.546 0.000403044 -3.53973 63.546000 Cu 0.0673341 0.186259 0 590 63.546 0.000259757 -3.5399 63.546000 Cu 0.0264235 0.173963 0.5 591 63.546 0.000165301 -3.5399 63.546000 Cu 0.0756327 0.163629 1.2283e-16 593 63.546 0.000647282 -3.53985 63.546000 Cu 0.116497 0.175977 0.5 596 63.546 0.00036201 -3.53989 63.546000 Cu 0.165653 0.165744 0 594 63.546 0.000248775 -3.53988 63.546000 Cu 0.157371 0.188352 1.20127e-19 637 63.546 8.3941e-05 -3.53993 63.546000 Cu 0.206529 0.178139 0.5 639 63.546 9.78066e-05 -3.53994 63.546000 Cu 0.2557 0.167973 0 641 63.546 0.000292278 -3.53994 63.546000 Cu 0.296707 0.18031 0.5 644 63.546 0.000291525 -3.53997 63.546000 Cu 0.345937 0.170105 0 642 63.546 0.000686718 -3.53994 63.546000 Cu 0.386984 0.182344 0.5 687 63.546 0.000155953 -3.53996 63.546000 Cu 0.436235 0.172043 1.2283e-16 689 63.546 0.000108954 -3.53994 63.546000 Cu 0.526424 0.173963 1 690 63.546 0.000165301 -3.5399 63.546000 Cu 0.477225 0.184288 0.5 692 63.546 8.69836e-05 -3.53995 63.546000 Cu 0.575633 0.163629 0.5 696 63.546 0.000647282 -3.53985 63.546000 Cu 0.567334 0.186259 0.5 735 63.546 0.000259757 -3.5399 63.546000 Cu 0.616497 0.175977 6.71512e-17 737 63.546 0.00036201 -3.53989 63.546000 Cu 0.665653 0.165744 0.5 739 63.546 0.000248775 -3.53988 63.546000 Cu 0.657371 0.188352 0.5 740 63.546 8.3941e-05 -3.53993 63.546000 Cu 0.706529 0.178139 4.86516e-18 738 63.546 9.78066e-05 -3.53994 63.546000 Cu 0.7557 0.167973 0.5 744 63.546 0.000292278 -3.53994 63.546000 Cu 0.796707 0.18031 2.39294e-16 785 63.546 0.000291525 -3.53997 63.546000 Cu 0.886984 0.182344 1.56406e-16 550 63.546 0.000155953 -3.53996 63.546000 Cu 0.845937 0.170105 0.5 786 63.546 0.000686718 -3.53994 63.546000 Cu 0.936235 0.172043 0.5 554 63.546 0.000108954 -3.53994 63.546000 Cu 0.977225 0.184288 0 589 63.546 8.69836e-05 -3.53995 63.546000 Cu 0.0589954 0.208861 8.43294e-17 633 63.546 0.000136427 -3.53993 63.546000 Cu 0.108212 0.19859 0.5 635 63.546 0.000182881 -3.53993 63.546000 Cu 0.018129 0.196564 0.5 592 63.546 7.11177e-05 -3.53994 63.546000 Cu 0.149082 0.210946 6.00637e-20 634 63.546 4.4885e-05 -3.53996 63.546000 Cu 0.198303 0.200714 0.5 640 63.546 5.50685e-05 -3.53997 63.546000 Cu 0.239218 0.213061 0 681 63.546 6.27371e-05 -3.53999 63.546000 Cu 0.247473 0.19051 0 638 63.546 0.000142799 -3.53998 63.546000 Cu 0.329364 0.215141 0 682 63.546 0.00013443 -3.53998 63.546000 Cu 0.28846 0.202829 0.5 683 63.546 0.000118641 -3.53999 63.546000 Cu 0.337704 0.192606 2.38453e-17 685 63.546 0.000263779 -3.53997 63.546000 Cu 0.427969 0.194588 0 686 63.546 7.21078e-05 -3.53997 63.546000 Cu 0.378668 0.204869 0.5 688 63.546 5.77194e-05 -3.53997 63.546000 Cu 0.468862 0.20686 0.5 731 63.546 1.99804e-05 -3.53996 63.546000 Cu 0.518129 0.196564 0 733 63.546 7.11177e-05 -3.53994 63.546000 Cu 0.558995 0.208861 0.5 736 63.546 0.000136427 -3.53993 63.546000 Cu 0.608212 0.19859 2.4518e-16 734 63.546 0.000182881 -3.53993 63.546000 Cu 0.649082 0.210946 0.5 779 63.546 4.4885e-05 -3.53996 63.546000 Cu 0.698303 0.200714 0 781 63.546 5.50685e-05 -3.53997 63.546000 Cu 0.747473 0.19051 0.5 783 63.546 0.000142799 -3.53998 63.546000 Cu 0.739218 0.213061 0.5 784 63.546 6.27371e-05 -3.53999 63.546000 Cu 0.78846 0.202829 2.34248e-18 782 63.546 0.000118641 -3.53999 63.546000 Cu 0.878668 0.204869 0 585 63.546 5.77194e-05 -3.53997 63.546000 Cu 0.837704 0.192606 0.5 787 63.546 0.000263779 -3.53997 63.546000 Cu 0.829364 0.215141 0.5 826 63.546 0.00013443 -3.53998 63.546000 Cu 0.968862 0.20686 0 586 63.546 1.99804e-05 -3.53996 63.546000 Cu 0.927969 0.194588 0.5 587 63.546 7.21078e-05 -3.53997 63.546000 Cu 0.0505549 0.231465 1.72082e-16 630 63.546 1.67106e-05 -3.53994 63.546000 Cu 0.0998195 0.221187 0.5 636 63.546 8.01441e-05 -3.53994 63.546000 Cu 0.00973169 0.219144 0.5 631 63.546 7.70665e-05 -3.53995 63.546000 Cu 0.00127021 0.241739 0.5 632 63.546 1.62037e-05 -3.53996 63.546000 Cu 0.14064 0.233529 1.2289e-16 677 63.546 4.70501e-05 -3.53997 63.546000 Cu 0.189921 0.223287 0.5 679 63.546 1.88055e-05 -3.53998 63.546000 Cu 0.230788 0.235614 1.2283e-16 678 63.546 1.53545e-05 -3.53999 63.546000 Cu 0.280086 0.225384 0.5 684 63.546 6.56051e-05 -3.53999 63.546000 Cu 0.320967 0.237687 1.20127e-19 725 63.546 5.22115e-05 -3.53999 63.546000 Cu 0.411128 0.239708 6.00637e-20 726 63.546 1.44725e-05 -3.53997 63.546000 Cu 0.370269 0.22742 0.5 727 63.546 1.85346e-05 -3.53998 63.546000 Cu 0.419557 0.217142 1.2271e-16 729 63.546 1.20054e-05 -3.53997 63.546000 Cu 0.460423 0.229432 0.5 732 63.546 1.86133e-05 -3.53996 63.546000 Cu 0.509732 0.219144 0 730 63.546 7.70665e-05 -3.53995 63.546000 Cu 0.50127 0.241739 5.95231e-17 773 63.546 1.62037e-05 -3.53996 63.546000 Cu 0.550555 0.231465 0.5 775 63.546 1.67106e-05 -3.53994 63.546000 Cu 0.599819 0.221187 0 777 63.546 8.01441e-05 -3.53994 63.546000 Cu 0.64064 0.233529 0.5 780 63.546 4.70501e-05 -3.53997 63.546000 Cu 0.689921 0.223287 0 778 63.546 1.88055e-05 -3.53998 63.546000 Cu 0.730788 0.235614 0.5 823 63.546 1.53545e-05 -3.53999 63.546000 Cu 0.780086 0.225384 0 825 63.546 6.56051e-05 -3.53999 63.546000 Cu 0.870269 0.22742 0 584 63.546 1.85346e-05 -3.53998 63.546000 Cu 0.820967 0.237687 0.5 827 63.546 5.22115e-05 -3.53999 63.546000 Cu 0.919557 0.217142 0.5 588 63.546 1.20054e-05 -3.53997 63.546000 Cu 0.911128 0.239708 0.5 627 63.546 1.44725e-05 -3.53997 63.546000 Cu 0.960423 0.229432 3.54376e-18 629 63.546 1.86133e-05 -3.53996 63.546000 Cu 0.0421185 0.254058 1.2271e-16 673 63.546 3.56422e-05 -3.53996 63.546000 Cu 0.0913874 0.243787 0.5 675 63.546 2.75213e-05 -3.53996 63.546000 Cu 0.0830082 0.266362 0.5 676 63.546 9.29864e-05 -3.53998 63.546000 Cu 0.132276 0.256093 2.40255e-19 674 63.546 4.81186e-05 -3.53999 63.546000 Cu 0.181526 0.245846 0.5 680 63.546 2.99357e-05 -3.53999 63.546000 Cu 0.173245 0.2684 0.5 719 63.546 5.38734e-05 -3.54 63.546000 Cu 0.222458 0.258164 0 721 63.546 1.6782e-05 -3.53999 63.546000 Cu 0.312633 0.260239 9.49606e-17 722 63.546 4.04792e-05 -3.53999 63.546000 Cu 0.271683 0.247934 0.5 723 63.546 6.91999e-05 -3.53999 63.546000 Cu 0.361863 0.24998 0.5 728 63.546 3.47855e-05 -3.53998 63.546000 Cu 0.402783 0.262282 0 769 63.546 2.98357e-05 -3.53996 63.546000 Cu 0.452006 0.252008 0.5 771 63.546 2.69384e-05 -3.53997 63.546000 Cu 0.492885 0.264319 1.20127e-19 770 63.546 4.86679e-05 -3.53996 63.546000 Cu 0.542118 0.254058 0.5 776 63.546 3.56422e-05 -3.53996 63.546000 Cu 0.591387 0.243787 0 774 63.546 2.75213e-05 -3.53996 63.546000 Cu 0.583008 0.266362 6.00637e-20 817 63.546 9.29864e-05 -3.53998 63.546000 Cu 0.632276 0.256093 0.5 819 63.546 4.81186e-05 -3.53999 63.546000 Cu 0.673245 0.2684 2.4542e-16 818 63.546 5.38734e-05 -3.54 63.546000 Cu 0.681526 0.245846 0 821 63.546 2.99357e-05 -3.53999 63.546000 Cu 0.771683 0.247934 0 822 63.546 6.91999e-05 -3.53999 63.546000 Cu 0.722458 0.258164 0.5 824 63.546 1.6782e-05 -3.53999 63.546000 Cu 0.861863 0.24998 6.00637e-20 625 63.546 3.47855e-05 -3.53998 63.546000 Cu 0.812633 0.260239 0.5 867 63.546 4.04792e-05 -3.53999 63.546000 Cu 0.902783 0.262282 0.5 628 63.546 2.98357e-05 -3.53996 63.546000 Cu 0.952006 0.252008 4.47474e-17 626 63.546 2.69384e-05 -3.53997 63.546000 Cu 0.992885 0.264319 0.5 671 63.546 4.86679e-05 -3.53996 63.546000 Cu 0.0338233 0.276635 6.55895e-17 670 63.546 9.89945e-05 -3.53997 63.546000 Cu 0.0748692 0.288931 0.5 715 63.546 7.0422e-05 -3.53999 63.546000 Cu 0.124015 0.278656 0 717 63.546 8.69929e-05 -3.53999 63.546000 Cu 0.21424 0.280711 0 718 63.546 4.86813e-05 -3.53999 63.546000 Cu 0.165083 0.290948 0.5 720 63.546 0.00014534 -3.53999 63.546000 Cu 0.263448 0.270484 0.5 724 63.546 2.77991e-05 -3.53999 63.546000 Cu 0.255294 0.293025 0.5 763 63.546 0.000113169 -3.53998 63.546000 Cu 0.304443 0.28279 0 765 63.546 5.889e-05 -3.53999 63.546000 Cu 0.345492 0.295123 0.5 768 63.546 9.7714e-05 -3.53996 63.546000 Cu 0.394576 0.284875 0 766 63.546 0.000128967 -3.53996 63.546000 Cu 0.353617 0.272548 0.5 767 63.546 4.69665e-05 -3.53998 63.546000 Cu 0.443724 0.274588 0.5 772 63.546 5.28653e-05 -3.53995 63.546000 Cu 0.435613 0.297197 0.5 811 63.546 0.000121231 -3.53994 63.546000 Cu 0.484692 0.286913 0 813 63.546 9.05317e-05 -3.53996 63.546000 Cu 0.533823 0.276635 0.5 815 63.546 9.89945e-05 -3.53997 63.546000 Cu 0.574869 0.288931 1.36345e-16 814 63.546 7.0422e-05 -3.53999 63.546000 Cu 0.624015 0.278656 0.5 820 63.546 8.69929e-05 -3.53999 63.546000 Cu 0.665083 0.290948 1.72142e-16 861 63.546 0.00014534 -3.53999 63.546000 Cu 0.755294 0.293025 0 862 63.546 0.000113169 -3.53998 63.546000 Cu 0.71424 0.280711 0.5 863 63.546 4.86813e-05 -3.53999 63.546000 Cu 0.763448 0.270484 1.2259e-16 865 63.546 2.77991e-05 -3.53999 63.546000 Cu 0.853617 0.272548 0 866 63.546 4.69665e-05 -3.53998 63.546000 Cu 0.804443 0.28279 0.5 868 63.546 5.889e-05 -3.53999 63.546000 Cu 0.845492 0.295123 0 907 63.546 9.7714e-05 -3.53996 63.546000 Cu 0.894576 0.284875 0.5 667 63.546 0.000128967 -3.53996 63.546000 Cu 0.935613 0.297197 1.20127e-19 666 63.546 0.000121231 -3.53994 63.546000 Cu 0.943724 0.274588 2.453e-16 669 63.546 5.28653e-05 -3.53995 63.546000 Cu 0.984692 0.286913 0.5 672 63.546 9.05317e-05 -3.53996 63.546000 Cu 0.0257735 0.299221 1 713 63.546 0.000116927 -3.53998 63.546000 Cu 0.0669687 0.311497 0.5 716 63.546 3.45607e-05 -3.53999 63.546000 Cu 0.108189 0.323757 1.20127e-19 757 63.546 0.000120033 -3.53999 63.546000 Cu 0.0179598 0.321804 1.80191e-19 710 63.546 6.06982e-05 -3.53998 63.546000 Cu 0.115989 0.301212 6.94336e-17 714 63.546 0.000109837 -3.53999 63.546000 Cu 0.157196 0.313491 0.5 759 63.546 0.000164596 -3.53997 63.546000 Cu 0.206213 0.303254 2.94913e-17 761 63.546 0.000129902 -3.53997 63.546000 Cu 0.296441 0.305352 6.00637e-20 762 63.546 9.24531e-05 -3.53995 63.546000 Cu 0.247456 0.315575 0.5 764 63.546 6.5472e-05 -3.53994 63.546000 Cu 0.337646 0.317706 0.5 807 63.546 4.50857e-05 -3.5399 63.546000 Cu 0.386605 0.307471 1.80191e-19 809 63.546 0.000158108 -3.53993 63.546000 Cu 0.427783 0.319806 0.5 812 63.546 0.000175941 -3.53992 63.546000 Cu 0.476746 0.309515 0 810 63.546 0.000118163 -3.53996 63.546000 Cu 0.525774 0.299221 0.5 816 63.546 0.000116927 -3.53998 63.546000 Cu 0.51796 0.321804 0.5 855 63.546 6.06982e-05 -3.53998 63.546000 Cu 0.566969 0.311497 1 857 63.546 3.45607e-05 -3.53999 63.546000 Cu 0.657196 0.313491 0 858 63.546 0.000164596 -3.53997 63.546000 Cu 0.615989 0.301212 0.5 859 63.546 0.000109837 -3.53999 63.546000 Cu 0.608189 0.323757 0.5 860 63.546 0.000120033 -3.53999 63.546000 Cu 0.706213 0.303254 0.5 864 63.546 0.000129902 -3.53997 63.546000 Cu 0.747456 0.315575 0 903 63.546 6.5472e-05 -3.53994 63.546000 Cu 0.796441 0.305352 0.5 905 63.546 9.24531e-05 -3.53995 63.546000 Cu 0.886605 0.307471 0.5 668 63.546 0.000158108 -3.53993 63.546000 Cu 0.837646 0.317706 2.03916e-16 904 63.546 4.50857e-05 -3.5399 63.546000 Cu 0.927783 0.319806 1.02348e-16 709 63.546 0.000175941 -3.53992 63.546000 Cu 0.976746 0.309515 0.5 711 63.546 0.000118163 -3.53996 63.546000 Cu 0.100436 0.346289 6.00637e-20 754 63.546 0.000291218 -3.53997 63.546000 Cu 0.0591972 0.33406 0.5 755 63.546 5.59285e-05 -3.53999 63.546000 Cu 0.0101563 0.344388 6.23461e-17 753 63.546 0.000140934 -3.53997 63.546000 Cu 0.198456 0.325787 6.17454e-17 758 63.546 0.000150447 -3.53993 63.546000 Cu 0.149472 0.336015 0.5 760 63.546 0.000314596 -3.53995 63.546000 Cu 0.190757 0.348298 5.02733e-17 801 63.546 0.000628578 -3.53989 63.546000 Cu 0.239762 0.338105 0.5 803 63.546 0.000314619 -3.53988 63.546000 Cu 0.280987 0.350495 1.91483e-16 802 63.546 0.000205173 -3.53982 63.546000 Cu 0.288691 0.327914 2.46561e-16 805 63.546 8.76786e-05 -3.53988 63.546000 Cu 0.329899 0.340299 0.5 808 63.546 0.000119635 -3.53983 63.546000 Cu 0.378839 0.33007 0 806 63.546 0.000194642 -3.53989 63.546000 Cu 0.42 0.342426 0.5 851 63.546 0.000470075 -3.53988 63.546000 Cu 0.468984 0.332118 9.38194e-17 853 63.546 0.000202156 -3.53995 63.546000 Cu 0.510156 0.344388 0.5 856 63.546 0.000140934 -3.53997 63.546000 Cu 0.559197 0.33406 0 854 63.546 5.59285e-05 -3.53999 63.546000 Cu 0.600436 0.346289 0.5 897 63.546 0.000291218 -3.53997 63.546000 Cu 0.649472 0.336015 0 899 63.546 0.000314596 -3.53995 63.546000 Cu 0.739762 0.338105 2.30044e-17 900 63.546 0.000314619 -3.53988 63.546000 Cu 0.698456 0.325787 0.5 901 63.546 0.000150447 -3.53993 63.546000 Cu 0.690757 0.348298 0.5 902 63.546 0.000628578 -3.53989 63.546000 Cu 0.788691 0.327914 0.5 906 63.546 8.76786e-05 -3.53988 63.546000 Cu 0.780987 0.350495 0.5 935 63.546 0.000205173 -3.53982 63.546000 Cu 0.878839 0.33007 0.5 707 63.546 0.000194642 -3.53989 63.546000 Cu 0.829899 0.340299 4.721e-17 937 63.546 0.000119635 -3.53983 63.546000 Cu 0.92 0.342426 2.09682e-16 706 63.546 0.000470075 -3.53988 63.546000 Cu 0.968984 0.332118 0.5 712 63.546 0.000202156 -3.53995 63.546000 Cu 0.0513079 0.35662 0.5 756 63.546 0.000136129 -3.53995 63.546000 Cu 0.0924772 0.3688 0 797 63.546 0.000529833 -3.53988 63.546000 Cu 0.00216029 0.366983 1.2283e-16 750 63.546 0.000294624 -3.5399 63.546000 Cu 0.182905 0.370774 0 798 63.546 0.00184781 -3.53974 63.546000 Cu 0.141661 0.358518 0.5 799 63.546 0.000819909 -3.53989 63.546000 Cu 0.231979 0.360641 0.5 804 63.546 0.000644158 -3.53981 63.546000 Cu 0.273121 0.373077 0 845 63.546 0.000402397 -3.53965 63.546000 Cu 0.322065 0.362928 0.5 847 63.546 0.000448211 -3.53973 63.546000 Cu 0.363062 0.375371 1.2271e-16 846 63.546 0.00132432 -3.53958 63.546000 Cu 0.371045 0.352697 3.89813e-17 849 63.546 0.000470812 -3.53979 63.546000 Cu 0.412061 0.365077 0.5 852 63.546 0.000982816 -3.53976 63.546000 Cu 0.461115 0.354736 0 850 63.546 0.000468866 -3.53988 63.546000 Cu 0.453055 0.377382 0 891 63.546 0.00102186 -3.53974 63.546000 Cu 0.50216 0.366983 0.5 893 63.546 0.000294624 -3.5399 63.546000 Cu 0.551308 0.35662 1.2265e-16 895 63.546 0.000136129 -3.53995 63.546000 Cu 0.641661 0.358518 1.95207e-17 896 63.546 0.000819909 -3.53989 63.546000 Cu 0.592477 0.3688 0.5 898 63.546 0.000529833 -3.53988 63.546000 Cu 0.682905 0.370774 0.5 931 63.546 0.00184781 -3.53974 63.546000 Cu 0.731979 0.360641 0 933 63.546 0.000644158 -3.53981 63.546000 Cu 0.773121 0.373077 0.5 936 63.546 0.000402397 -3.53965 63.546000 Cu 0.871045 0.352697 0.5 708 63.546 0.000470812 -3.53979 63.546000 Cu 0.863062 0.375371 0.5 748 63.546 0.00132432 -3.53958 63.546000 Cu 0.822065 0.362928 4.98528e-18 934 63.546 0.000448211 -3.53973 63.546000 Cu 0.912061 0.365077 3.60382e-17 749 63.546 0.000982816 -3.53976 63.546000 Cu 0.961115 0.354736 0.5 751 63.546 0.000468866 -3.53988 63.546000 Cu 0.953055 0.377382 0.5 752 63.546 0.00102186 -3.53974 63.546000 Cu 0.084512 0.39127 1.16944e-16 794 63.546 0.00120645 -3.53966 63.546000 Cu 0.043275 0.379164 0.5 795 63.546 0.000318121 -3.53986 63.546000 Cu 0.0352933 0.40169 0.5 796 63.546 0.000754913 -3.53963 63.546000 Cu 0.125889 0.403356 0.5 839 63.546 0.00507368 -3.53915 63.546000 Cu 0.13375 0.380972 0.5 800 63.546 0.00202651 -3.53967 63.546000 Cu 0.175088 0.393195 1.2259e-16 841 63.546 0.00494362 -3.53927 63.546000 Cu 0.224153 0.383136 0.5 843 63.546 0.00188791 -3.53948 63.546000 Cu 0.265346 0.395664 0 842 63.546 0.00115938 -3.53912 63.546000 Cu 0.314176 0.38558 0.5 848 63.546 0.00132372 -3.5394 63.546000 Cu 0.355177 0.398096 0 887 63.546 0.00349145 -3.53906 63.546000 Cu 0.404042 0.387767 0.5 889 63.546 0.00222082 -3.53948 63.546000 Cu 0.445039 0.400068 0 888 63.546 0.00234667 -3.53941 63.546000 Cu 0.543275 0.379164 0 892 63.546 0.000318121 -3.53986 63.546000 Cu 0.494118 0.389585 0.5 894 63.546 0.000689977 -3.53974 63.546000 Cu 0.535293 0.40169 0 925 63.546 0.000754913 -3.53963 63.546000 Cu 0.625889 0.403356 0 926 63.546 0.00507368 -3.53915 63.546000 Cu 0.584512 0.39127 0.5 927 63.546 0.00120645 -3.53966 63.546000 Cu 0.63375 0.380972 0 929 63.546 0.00202651 -3.53967 63.546000 Cu 0.675088 0.393195 0.5 932 63.546 0.00494362 -3.53927 63.546000 Cu 0.724153 0.383136 1.2283e-16 930 63.546 0.00188791 -3.53948 63.546000 Cu 0.765346 0.395664 0.5 957 63.546 0.00115938 -3.53912 63.546000 Cu 0.814176 0.38558 1.92924e-16 959 63.546 0.00132372 -3.5394 63.546000 Cu 0.855177 0.398096 0.5 960 63.546 0.00349145 -3.53906 63.546000 Cu 0.904042 0.387767 3.50171e-17 747 63.546 0.00222082 -3.53948 63.546000 Cu 0.945039 0.400068 0.5 791 63.546 0.00234667 -3.53941 63.546000 Cu 0.994118 0.389585 6.00637e-20 793 63.546 0.000689977 -3.53974 63.546000 Cu 0.0273273 0.424207 0.5 835 63.546 0.00139531 -3.53902 63.546000 Cu 0.0766239 0.413691 6.00637e-20 837 63.546 0.00267193 -3.53915 63.546000 Cu 0.1181 0.42565 0.5 840 63.546 0.011061 -3.53805 63.546000 Cu 0.167411 0.415521 1.58088e-16 838 63.546 0.0136094 -3.53808 63.546000 Cu 0.216454 0.40558 0.5 844 63.546 0.00591417 -3.53849 63.546000 Cu 0.208944 0.427917 0.5 881 63.546 0.0224929 -3.53546 63.546000 Cu 0.257732 0.418273 6.00637e-20 883 63.546 0.00418861 -3.53762 63.546000 Cu 0.30641 0.408285 0.5 885 63.546 0.00387903 -3.53858 63.546000 Cu 0.298713 0.43109 0.5 886 63.546 0.0122508 -3.5364 63.546000 Cu 0.347319 0.420928 1.08115e-16 884 63.546 0.00946928 -3.53777 63.546000 Cu 0.396076 0.41054 0.5 890 63.546 0.00534464 -3.53879 63.546000 Cu 0.437029 0.422828 0 921 63.546 0.00532119 -3.53864 63.546000 Cu 0.527327 0.424207 0 922 63.546 0.00139531 -3.53902 63.546000 Cu 0.486111 0.412222 0.5 923 63.546 0.0016766 -3.53936 63.546000 Cu 0.576624 0.413691 0.5 928 63.546 0.00267193 -3.53915 63.546000 Cu 0.6181 0.42565 1.2253e-16 951 63.546 0.011061 -3.53805 63.546000 Cu 0.667411 0.415521 0.5 953 63.546 0.0136094 -3.53808 63.546000 Cu 0.708944 0.427917 1.80191e-19 952 63.546 0.0224929 -3.53546 63.546000 Cu 0.716454 0.40558 0 955 63.546 0.00591417 -3.53849 63.546000 Cu 0.757732 0.418273 0.5 958 63.546 0.00418861 -3.53762 63.546000 Cu 0.798713 0.43109 1.57967e-16 972 63.546 0.0122508 -3.5364 63.546000 Cu 0.847319 0.420928 0.5 490 63.546 0.00946928 -3.53777 63.546000 Cu 0.80641 0.408285 8.40291e-17 956 63.546 0.00387903 -3.53858 63.546000 Cu 0.896076 0.41054 6.00637e-20 789 63.546 0.00534464 -3.53879 63.546000 Cu 0.986111 0.412222 1.16704e-16 790 63.546 0.0016766 -3.53936 63.546000 Cu 0.937029 0.422828 0.5 792 63.546 0.00532119 -3.53864 63.546000 Cu 0.0686893 0.436054 0 834 63.546 0.00490317 -3.53805 63.546000 Cu 0.0605689 0.458358 1.701e-16 875 63.546 0.00781844 -3.53579 63.546000 Cu 0.110255 0.447835 0.5 877 63.546 0.0200629 -3.53584 63.546000 Cu 0.019211 0.446711 0.5 836 63.546 0.00261451 -3.53763 63.546000 Cu 0.159768 0.437703 0 879 63.546 0.0379259 -3.53545 63.546000 Cu 0.201538 0.450057 0.5 882 63.546 0.0987999 -3.52473 63.546000 Cu 0.250299 0.440931 0 880 63.546 0.0171259 -3.533 63.546000 Cu 0.290989 0.45409 0.5 915 63.546 0.0433082 -3.5305 63.546000 Cu 0.388085 0.433432 0.5 919 63.546 0.0131315 -3.53723 63.546000 Cu 0.339408 0.443925 0 917 63.546 0.0257222 -3.53471 63.546000 Cu 0.4289 0.445668 0 918 63.546 0.00985187 -3.53678 63.546000 Cu 0.379928 0.456492 0.5 920 63.546 0.0294947 -3.53293 63.546000 Cu 0.47805 0.434879 0.5 924 63.546 0.00298251 -3.53841 63.546000 Cu 0.469788 0.457581 0.5 945 63.546 0.00525043 -3.53636 63.546000 Cu 0.519211 0.446711 1.91063e-16 947 63.546 0.00261451 -3.53763 63.546000 Cu 0.568689 0.436054 0.5 949 63.546 0.00490317 -3.53805 63.546000 Cu 0.560569 0.458358 0.5 950 63.546 0.00781844 -3.53579 63.546000 Cu 0.610255 0.447835 8.64917e-17 948 63.546 0.0200629 -3.53584 63.546000 Cu 0.659768 0.437703 0.5 954 63.546 0.0379259 -3.53545 63.546000 Cu 0.701538 0.450057 0 968 63.546 0.0987999 -3.52473 63.546000 Cu 0.750299 0.440931 0.5 970 63.546 0.0171259 -3.533 63.546000 Cu 0.888085 0.433432 2.12025e-16 788 63.546 0.0131315 -3.53723 63.546000 Cu 0.790989 0.45409 1.29798e-16 969 63.546 0.0433082 -3.5305 63.546000 Cu 0.839408 0.443925 0.5 486 63.546 0.0257222 -3.53471 63.546000 Cu 0.879928 0.456492 1.3214e-18 829 63.546 0.0294947 -3.53293 63.546000 Cu 0.969788 0.457581 1 830 63.546 0.00525043 -3.53636 63.546000 Cu 0.9289 0.445668 0.5 831 63.546 0.00985187 -3.53678 63.546000 Cu 0.97805 0.434879 2.67043e-16 833 63.546 0.00298251 -3.53841 63.546000 Cu 0.0526107 0.480639 1.60971e-17 872 63.546 0.0223231 -3.5347 63.546000 Cu 0.102071 0.469881 0.5 878 63.546 0.0309805 -3.53227 63.546000 Cu 0.0109607 0.469212 0.5 873 63.546 0.00586872 -3.53585 63.546000 Cu 0.152106 0.459705 1.2271e-16 876 63.546 0.102789 -3.52845 63.546000 Cu 0.143919 0.481389 1 909 63.546 0.270538 -3.51462 63.546000 Cu 0.194176 0.471814 0.5 911 63.546 0.416808 -3.48928 63.546000 Cu 0.236116 0.486481 1 910 63.546 5.50464 -3.36402 63.546000 Cu 0.243199 0.463737 6.00637e-20 913 63.546 0.0798628 -3.51898 63.546000 Cu 0.331464 0.467196 0 914 63.546 0.074497 -3.52171 63.546000 Cu 0.283277 0.477439 0.5 916 63.546 0.263865 -3.48536 63.546000 Cu 0.371193 0.479912 0.5 941 63.546 0.101659 -3.52558 63.546000 Cu 0.420493 0.468654 1 943 63.546 0.0208701 -3.53315 63.546000 Cu 0.461823 0.480328 0.5 946 63.546 0.0150306 -3.53576 63.546000 Cu 0.510961 0.469212 2.55271e-16 944 63.546 0.00586872 -3.53585 63.546000 Cu 0.552611 0.480639 0.5 963 63.546 0.0223231 -3.5347 63.546000 Cu 0.602071 0.469881 1.2241e-16 964 63.546 0.0309805 -3.53227 63.546000 Cu 0.652106 0.459705 0.5 966 63.546 0.102789 -3.52845 63.546000 Cu 0.643919 0.481389 0.5 967 63.546 0.270538 -3.51462 63.546000 Cu 0.736116 0.486481 0.5 60 63.546 5.50464 -3.36402 63.546000 Cu 0.694176 0.471814 9.92852e-17 965 63.546 0.416808 -3.48928 63.546000 Cu 0.743199 0.463737 0.5 971 63.546 0.0798628 -3.51898 63.546000 Cu 0.783277 0.477439 1.2265e-16 59 63.546 0.263865 -3.48536 63.546000 Cu 0.831464 0.467196 0.5 15 63.546 0.074497 -3.52171 63.546000 Cu 0.871193 0.479912 2.4536e-16 828 63.546 0.101659 -3.52558 63.546000 Cu 0.920493 0.468654 0.5 832 63.546 0.0208701 -3.53315 63.546000 Cu 0.961823 0.480328 0 871 63.546 0.0150306 -3.53576 63.546000 Cu 0.048716 0.503056 0 1 63.546 0.0725994 -3.53708 63.546000 Cu 0.094669 0.491921 0.5 908 63.546 0.0860896 -3.53249 63.546000 Cu 0.00421278 0.491778 0.5 874 63.546 0.0535762 -3.53759 63.546000 Cu 0.137925 0.503082 1 92 63.546 3.81392 -3.44958 63.546000 Cu 0.185373 0.513299 0.5 94 63.546 7.11849 -3.3771 63.546000 Cu 0.185006 0.492848 0.5 912 63.546 7.13195 -3.37637 63.546000 Cu 0.269811 0.503078 0.5 938 63.546 5.22793 -3.37827 63.546000 Cu 0.322022 0.491391 1.2277e-16 939 63.546 0.564925 -3.49027 63.546000 Cu 0.413207 0.49164 0 940 63.546 0.0592185 -3.53452 63.546000 Cu 0.365362 0.503081 0.5 942 63.546 0.21502 -3.52181 63.546000 Cu 0.457474 0.503068 0.5 34 63.546 0.098913 -3.53693 63.546000 Cu 0.504213 0.491778 0 961 63.546 0.0535762 -3.53759 63.546000 Cu 0.548716 0.503056 0.5 33 63.546 0.0725994 -3.53708 63.546000 Cu 0.637925 0.503082 0.5 14 63.546 3.81392 -3.44958 63.546000 Cu 0.594669 0.491921 9.65223e-17 962 63.546 0.0860896 -3.53249 63.546000 Cu 0.685006 0.492848 1.2277e-16 469 63.546 7.13195 -3.37637 63.546000 Cu 0.685373 0.513299 1 13 63.546 7.11849 -3.3771 63.546000 Cu 0.769811 0.503078 9.50808e-17 468 63.546 5.22793 -3.37827 63.546000 Cu 0.822022 0.491391 0.5 3 63.546 0.564925 -3.49027 63.546000 Cu 0.865362 0.503081 0 869 63.546 0.21502 -3.52181 63.546000 Cu 0.957474 0.503068 0 4 63.546 0.098913 -3.53693 63.546000 Cu 0.913207 0.49164 0.5 870 63.546 0.0592185 -3.53452 63.546000 Cu 0.0950604 0.514198 0.5 2 63.546 0.0837147 -3.53164 63.546000 Cu 0.00460033 0.514342 0.5 6 63.546 0.0524768 -3.53705 63.546000 Cu 0.0533217 0.52548 3.06325e-17 8 63.546 0.0229217 -3.53384 63.546000 Cu 0.0120824 0.536914 0.5 11 63.546 0.00568433 -3.53486 63.546000 Cu 0.103122 0.536231 0.5 10 63.546 0.0287749 -3.53183 63.546000 Cu 0.144603 0.524718 1 93 63.546 0.26206 -3.51418 63.546000 Cu 0.195185 0.534326 0.5 98 63.546 0.420819 -3.49146 63.546000 Cu 0.236678 0.519673 1 95 63.546 5.51287 -3.36807 63.546000 Cu 0.284097 0.528706 0.5 97 63.546 0.26589 -3.48648 63.546000 Cu 0.322488 0.514797 2.10523e-16 58 63.546 0.545067 -3.48937 63.546000 Cu 0.332629 0.538964 0 99 63.546 0.072916 -3.52207 63.546000 Cu 0.413618 0.514515 2.4554e-16 61 63.546 0.0586379 -3.53385 63.546000 Cu 0.372029 0.526259 0.5 64 63.546 0.0951736 -3.5249 63.546000 Cu 0.421682 0.537504 1.2295e-16 62 63.546 0.0189874 -3.53241 63.546000 Cu 0.5046 0.514342 0 32 63.546 0.0524768 -3.53705 63.546000 Cu 0.462564 0.525806 0.5 63 63.546 0.0156822 -3.53491 63.546000 Cu 0.512082 0.536914 0 65 63.546 0.00568433 -3.53486 63.546000 Cu 0.553322 0.52548 0.5 38 63.546 0.0229217 -3.53384 63.546000 Cu 0.59506 0.514198 0 35 63.546 0.0837147 -3.53164 63.546000 Cu 0.603122 0.536231 4.40867e-17 36 63.546 0.0287749 -3.53183 63.546000 Cu 0.644603 0.524718 0.5 37 63.546 0.26206 -3.51418 63.546000 Cu 0.736678 0.519673 0.5 18 63.546 5.51287 -3.36807 63.546000 Cu 0.695185 0.534326 1 39 63.546 0.420819 -3.49146 63.546000 Cu 0.784097 0.528706 8.43894e-17 16 63.546 0.26589 -3.48648 63.546000 Cu 0.822488 0.514797 0.5 17 63.546 0.545067 -3.48937 63.546000 Cu 0.872029 0.526259 1.2277e-16 19 63.546 0.0951736 -3.5249 63.546000 Cu 0.832629 0.538964 0.5 22 63.546 0.072916 -3.52207 63.546000 Cu 0.962564 0.525806 1.2259e-16 5 63.546 0.0156822 -3.53491 63.546000 Cu 0.913618 0.514515 0.5 7 63.546 0.0586379 -3.53385 63.546000 Cu 0.921682 0.537504 0.5 21 63.546 0.0189874 -3.53241 63.546000 Cu 0.0620264 0.547761 1.2253e-16 9 63.546 0.00715592 -3.53523 63.546000 Cu 0.0210503 0.559423 0.5 25 63.546 0.00239111 -3.53696 63.546000 Cu 0.111981 0.558287 0.5 12 63.546 0.0191718 -3.53583 63.546000 Cu 0.153449 0.546432 6.00637e-20 134 63.546 0.103709 -3.5293 63.546000 Cu 0.20321 0.556081 0.5 136 63.546 0.0995649 -3.52591 63.546000 Cu 0.244442 0.54241 2.40255e-19 96 63.546 0.0791007 -3.52093 63.546000 Cu 0.292547 0.552059 0.5 102 63.546 0.0431337 -3.53135 63.546000 Cu 0.252215 0.565207 6.00637e-20 137 63.546 0.0160271 -3.53409 63.546000 Cu 0.341307 0.562217 2.24037e-16 100 63.546 0.0254223 -3.53504 63.546000 Cu 0.381464 0.549662 0.5 101 63.546 0.0286099 -3.53268 63.546000 Cu 0.430767 0.560475 1.20127e-19 103 63.546 0.0093984 -3.53628 63.546000 Cu 0.52105 0.559423 1.2265e-16 66 63.546 0.00239111 -3.53696 63.546000 Cu 0.471296 0.548555 0.5 68 63.546 0.00491763 -3.53553 63.546000 Cu 0.562026 0.547761 0.5 67 63.546 0.00715592 -3.53523 63.546000 Cu 0.611981 0.558287 2.09742e-16 69 63.546 0.0191718 -3.53583 63.546000 Cu 0.653449 0.546432 0.5 42 63.546 0.103709 -3.5293 63.546000 Cu 0.70321 0.556081 1.2277e-16 40 63.546 0.0995649 -3.52591 63.546000 Cu 0.744442 0.54241 0.5 41 63.546 0.0791007 -3.52093 63.546000 Cu 0.752215 0.565207 0.5 46 63.546 0.0160271 -3.53409 63.546000 Cu 0.792547 0.552059 0 43 63.546 0.0431337 -3.53135 63.546000 Cu 0.841307 0.562217 0.5 45 63.546 0.0254223 -3.53504 63.546000 Cu 0.881464 0.549662 2.4536e-16 20 63.546 0.0286099 -3.53268 63.546000 Cu 0.971296 0.548555 1.01267e-16 23 63.546 0.00491763 -3.53553 63.546000 Cu 0.930767 0.560475 0.5 26 63.546 0.0093984 -3.53628 63.546000 Cu 0.0708494 0.570081 8.55907e-17 27 63.546 0.00493301 -3.53774 63.546000 Cu 0.079461 0.592461 4.40867e-17 28 63.546 0.00309223 -3.539 63.546000 Cu 0.0298827 0.581935 0.5 30 63.546 0.00130282 -3.53855 63.546000 Cu 0.120546 0.580485 0.5 29 63.546 0.0112869 -3.53815 63.546000 Cu 0.161798 0.568422 1.2295e-16 135 63.546 0.036976 -3.53584 63.546000 Cu 0.170124 0.590608 1 174 63.546 0.0135463 -3.5384 63.546000 Cu 0.21128 0.578201 0.5 140 63.546 0.0211729 -3.53619 63.546000 Cu 0.260381 0.587835 9.1477e-17 138 63.546 0.0039669 -3.53821 63.546000 Cu 0.300971 0.575026 0.5 139 63.546 0.0126905 -3.53707 63.546000 Cu 0.390338 0.572697 0.5 106 63.546 0.0129921 -3.53717 63.546000 Cu 0.349924 0.585182 1.134e-16 141 63.546 0.00969234 -3.53805 63.546000 Cu 0.439615 0.583295 6.00637e-20 104 63.546 0.00524565 -3.53826 63.546000 Cu 0.480267 0.571258 0.5 105 63.546 0.00265147 -3.53774 63.546000 Cu 0.529883 0.581935 0 107 63.546 0.00130282 -3.53855 63.546000 Cu 0.489027 0.593917 0.5 110 63.546 0.00138118 -3.53894 63.546000 Cu 0.620546 0.580485 0 70 63.546 0.0112869 -3.53815 63.546000 Cu 0.570849 0.570081 0.5 72 63.546 0.00493301 -3.53774 63.546000 Cu 0.579461 0.592461 0.5 109 63.546 0.00309223 -3.539 63.546000 Cu 0.661798 0.568422 0.5 71 63.546 0.036976 -3.53584 63.546000 Cu 0.71128 0.578201 8.82936e-17 73 63.546 0.0211729 -3.53619 63.546000 Cu 0.670124 0.590608 0.5 76 63.546 0.0135463 -3.5384 63.546000 Cu 0.760381 0.587835 0.5 75 63.546 0.0039669 -3.53821 63.546000 Cu 0.800971 0.575026 4.45672e-17 44 63.546 0.0126905 -3.53707 63.546000 Cu 0.849924 0.585182 0.5 50 63.546 0.00969234 -3.53805 63.546000 Cu 0.980267 0.571258 1.5076e-17 24 63.546 0.00265147 -3.53774 63.546000 Cu 0.989027 0.593917 0 51 63.546 0.00138118 -3.53894 63.546000 Cu 0.890338 0.572697 4.18644e-17 47 63.546 0.0129921 -3.53717 63.546000 Cu 0.939615 0.583295 0.5 49 63.546 0.00524565 -3.53826 63.546000 Cu 0.038465 0.604463 0.5 53 63.546 0.000689131 -3.53935 63.546000 Cu 0.0878978 0.614897 2.4542e-16 55 63.546 0.00172392 -3.53958 63.546000 Cu 0.128981 0.602793 0.5 31 63.546 0.00552903 -3.53927 63.546000 Cu 0.178409 0.612942 0 175 63.546 0.00493296 -3.53943 63.546000 Cu 0.219462 0.600537 0.5 176 63.546 0.00564607 -3.53887 63.546000 Cu 0.309355 0.597805 0.5 144 63.546 0.00437729 -3.53889 63.546000 Cu 0.268615 0.610437 2.4554e-16 177 63.546 0.00113846 -3.53935 63.546000 Cu 0.31768 0.620503 0.5 179 63.546 0.00171064 -3.53953 63.546000 Cu 0.358405 0.60799 1.56526e-16 142 63.546 0.00418773 -3.53918 63.546000 Cu 0.399018 0.595561 0.5 143 63.546 0.00587787 -3.53873 63.546000 Cu 0.407532 0.618325 0.5 148 63.546 0.00257216 -3.53942 63.546000 Cu 0.448267 0.60605 0 145 63.546 0.00229093 -3.53916 63.546000 Cu 0.497583 0.616547 0.5 147 63.546 0.000624751 -3.53951 63.546000 Cu 0.538465 0.604463 0 108 63.546 0.000689131 -3.53935 63.546000 Cu 0.628981 0.602793 0 111 63.546 0.00552903 -3.53927 63.546000 Cu 0.587898 0.614897 0.5 114 63.546 0.00172392 -3.53958 63.546000 Cu 0.719462 0.600537 1.36885e-16 74 63.546 0.00564607 -3.53887 63.546000 Cu 0.678409 0.612942 0.5 113 63.546 0.00493296 -3.53943 63.546000 Cu 0.768615 0.610437 0.5 80 63.546 0.00113846 -3.53935 63.546000 Cu 0.809355 0.597805 0 77 63.546 0.00437729 -3.53889 63.546000 Cu 0.81768 0.620503 6.06643e-18 78 63.546 0.00171064 -3.53953 63.546000 Cu 0.858405 0.60799 0.5 79 63.546 0.00418773 -3.53918 63.546000 Cu 0.997583 0.616547 1.2271e-16 52 63.546 0.000624751 -3.53951 63.546000 Cu 0.899018 0.595561 1.14421e-16 48 63.546 0.00587787 -3.53873 63.546000 Cu 0.948267 0.60605 0.5 54 63.546 0.00229093 -3.53916 63.546000 Cu 0.907532 0.618325 0 81 63.546 0.00257216 -3.53942 63.546000 Cu 0.0469127 0.626996 0.5 57 63.546 0.000345124 -3.5397 63.546000 Cu 0.00600118 0.639151 0 85 63.546 0.000304929 -3.53974 63.546000 Cu 0.0963087 0.637368 0 56 63.546 0.000894011 -3.53981 63.546000 Cu 0.137332 0.625197 0.5 214 63.546 0.00285746 -3.5397 63.546000 Cu 0.186674 0.635363 6.00637e-20 215 63.546 0.0019116 -3.53979 63.546000 Cu 0.145675 0.647642 0.5 218 63.546 0.00119959 -3.53988 63.546000 Cu 0.276863 0.633018 0 178 63.546 0.000404855 -3.53974 63.546000 Cu 0.227694 0.622983 0.5 180 63.546 0.00177019 -3.53962 63.546000 Cu 0.235928 0.64547 0.5 217 63.546 0.000549826 -3.53986 63.546000 Cu 0.325996 0.643143 0.5 184 63.546 0.000783714 -3.5398 63.546000 Cu 0.366781 0.630706 4.01225e-17 181 63.546 0.00187002 -3.53962 63.546000 Cu 0.415943 0.641011 0.5 183 63.546 0.00122387 -3.5397 63.546000 Cu 0.456732 0.628734 6.00637e-20 146 63.546 0.000984423 -3.53961 63.546000 Cu 0.506001 0.639151 0.5 152 63.546 0.000304929 -3.53974 63.546000 Cu 0.546913 0.626996 9.98258e-17 149 63.546 0.000345124 -3.5397 63.546000 Cu 0.637332 0.625197 6.00637e-20 112 63.546 0.00285746 -3.5397 63.546000 Cu 0.596309 0.637368 0.5 151 63.546 0.000894011 -3.53981 63.546000 Cu 0.645675 0.647642 0 153 63.546 0.00119959 -3.53988 63.546000 Cu 0.727694 0.622983 0 115 63.546 0.00177019 -3.53962 63.546000 Cu 0.735928 0.64547 0 116 63.546 0.000549826 -3.53986 63.546000 Cu 0.686674 0.635363 0.5 118 63.546 0.0019116 -3.53979 63.546000 Cu 0.776863 0.633018 0.5 117 63.546 0.000404855 -3.53974 63.546000 Cu 0.866781 0.630706 0.5 84 63.546 0.00187002 -3.53962 63.546000 Cu 0.825996 0.643143 5.56189e-17 119 63.546 0.000783714 -3.5398 63.546000 Cu 0.915943 0.641011 1.27215e-16 82 63.546 0.00122387 -3.5397 63.546000 Cu 0.956732 0.628734 0.5 83 63.546 0.000984423 -3.53961 63.546000 Cu 0.0144767 0.661747 0 86 63.546 0.000124581 -3.53985 63.546000 Cu 0.0553634 0.649544 0.5 87 63.546 0.000194111 -3.53984 63.546000 Cu 0.0637883 0.672098 0.5 91 63.546 0.000189306 -3.53993 63.546000 Cu 0.104718 0.659873 0 89 63.546 0.000491696 -3.53992 63.546000 Cu 0.194971 0.657836 0 216 63.546 0.000786128 -3.53993 63.546000 Cu 0.154019 0.670133 0.5 256 63.546 0.000527207 -3.53996 63.546000 Cu 0.285132 0.655582 0 219 63.546 0.000168801 -3.5399 63.546000 Cu 0.244223 0.667989 0.5 222 63.546 0.00020367 -3.53994 63.546000 Cu 0.375154 0.653369 0 182 63.546 0.000812376 -3.53982 63.546000 Cu 0.334329 0.665756 0.5 221 63.546 0.000407856 -3.5399 63.546000 Cu 0.424365 0.663666 0.5 188 63.546 0.0004916 -3.53983 63.546000 Cu 0.465171 0.651379 1.80191e-19 185 63.546 0.000437983 -3.53978 63.546000 Cu 0.473596 0.673998 2.28242e-17 186 63.546 0.000241622 -3.53989 63.546000 Cu 0.514477 0.661747 0.5 187 63.546 0.000124581 -3.53985 63.546000 Cu 0.555363 0.649544 1.20127e-19 150 63.546 0.000194111 -3.53984 63.546000 Cu 0.604718 0.659873 0.5 156 63.546 0.000491696 -3.53992 63.546000 Cu 0.563788 0.672098 1.20127e-19 189 63.546 0.000189306 -3.53993 63.546000 Cu 0.654019 0.670133 0 154 63.546 0.000527207 -3.53996 63.546000 Cu 0.694971 0.657836 0.5 155 63.546 0.000786128 -3.53993 63.546000 Cu 0.744223 0.667989 1.2271e-16 157 63.546 0.00020367 -3.53994 63.546000 Cu 0.834329 0.665756 6.00637e-20 120 63.546 0.000407856 -3.5399 63.546000 Cu 0.785132 0.655582 0.5 122 63.546 0.000168801 -3.5399 63.546000 Cu 0.875154 0.653369 0.5 121 63.546 0.000812376 -3.53982 63.546000 Cu 0.965171 0.651379 0.5 88 63.546 0.000437983 -3.53978 63.546000 Cu 0.924365 0.663666 4.4387e-17 123 63.546 0.0004916 -3.53983 63.546000 Cu 0.973596 0.673998 0.5 125 63.546 0.000241622 -3.53989 63.546000 Cu 0.0228063 0.684331 0 127 63.546 9.29872e-05 -3.53994 63.546000 Cu 0.0719544 0.694655 0.5 129 63.546 8.40591e-05 -3.53998 63.546000 Cu 0.113017 0.6824 5.22554e-18 90 63.546 0.000296938 -3.53998 63.546000 Cu 0.16219 0.692656 0.5 260 63.546 0.000234881 -3.53999 63.546000 Cu 0.203261 0.680346 1.2283e-16 257 63.546 0.000409821 -3.53997 63.546000 Cu 0.293414 0.678152 7.47192e-17 220 63.546 0.00012433 -3.53993 63.546000 Cu 0.252418 0.690535 0.5 259 63.546 0.00013748 -3.53995 63.546000 Cu 0.301494 0.700731 0 261 63.546 3.6732e-05 -3.53993 63.546000 Cu 0.383505 0.675998 1.67578e-17 223 63.546 0.00045096 -3.5399 63.546000 Cu 0.391623 0.69861 0 224 63.546 0.000209307 -3.53994 63.546000 Cu 0.342538 0.688358 0.5 226 63.546 0.000255222 -3.53993 63.546000 Cu 0.432641 0.68629 0.5 225 63.546 0.000217562 -3.53992 63.546000 Cu 0.522806 0.684331 0.5 192 63.546 9.29872e-05 -3.53994 63.546000 Cu 0.481775 0.696597 2.93471e-16 227 63.546 0.000117979 -3.53995 63.546000 Cu 0.571954 0.694655 2.84161e-16 190 63.546 8.40591e-05 -3.53998 63.546000 Cu 0.613017 0.6824 0.5 191 63.546 0.000296938 -3.53998 63.546000 Cu 0.66219 0.692656 8.06054e-17 193 63.546 0.000234881 -3.53999 63.546000 Cu 0.752418 0.690535 2.25599e-16 158 63.546 0.00013748 -3.53995 63.546000 Cu 0.703261 0.680346 0.5 160 63.546 0.000409821 -3.53997 63.546000 Cu 0.793414 0.678152 0.5 159 63.546 0.00012433 -3.53993 63.546000 Cu 0.842538 0.688358 1.20127e-19 161 63.546 0.000255222 -3.53993 63.546000 Cu 0.801494 0.700731 0.5 164 63.546 3.6732e-05 -3.53993 63.546000 Cu 0.883505 0.675998 0.5 126 63.546 0.00045096 -3.5399 63.546000 Cu 0.981775 0.696597 0.5 130 63.546 0.000117979 -3.53995 63.546000 Cu 0.932641 0.68629 0 124 63.546 0.000217562 -3.53992 63.546000 Cu 0.891623 0.69861 0.5 163 63.546 0.000209307 -3.53994 63.546000 Cu 0.0309078 0.706922 2.4536e-16 128 63.546 2.65585e-05 -3.53997 63.546000 Cu 0.0800324 0.717226 0.5 133 63.546 8.55816e-05 -3.53999 63.546000 Cu 0.0388943 0.729505 0 169 63.546 2.10913e-05 -3.53998 63.546000 Cu 0.121106 0.704947 1.2283e-16 131 63.546 0.000149397 -3.53999 63.546000 Cu 0.129145 0.727508 0 132 63.546 0.000147411 -3.53999 63.546000 Cu 0.170254 0.715198 0.5 296 63.546 0.000100449 -3.53999 63.546000 Cu 0.211332 0.702882 6.82323e-17 258 63.546 0.000134761 -3.53997 63.546000 Cu 0.219355 0.725434 2.29143e-16 297 63.546 6.542e-05 -3.53997 63.546000 Cu 0.309483 0.723312 1.64394e-16 262 63.546 8.43312e-06 -3.53994 63.546000 Cu 0.260428 0.713096 0.5 264 63.546 4.92851e-05 -3.53995 63.546000 Cu 0.350554 0.71095 0.5 263 63.546 0.000163052 -3.53994 63.546000 Cu 0.399624 0.721207 6.00637e-20 265 63.546 0.000125855 -3.53996 63.546000 Cu 0.440728 0.708897 0.5 230 63.546 0.00010397 -3.53996 63.546000 Cu 0.489826 0.719191 0 228 63.546 7.19496e-05 -3.53997 63.546000 Cu 0.530908 0.706922 0.5 229 63.546 2.65585e-05 -3.53997 63.546000 Cu 0.538894 0.729505 0.5 234 63.546 2.10913e-05 -3.53998 63.546000 Cu 0.621106 0.704947 0.5 196 63.546 0.000149397 -3.53999 63.546000 Cu 0.580032 0.717226 0 231 63.546 8.55816e-05 -3.53999 63.546000 Cu 0.629145 0.727508 0.5 233 63.546 0.000147411 -3.53999 63.546000 Cu 0.670254 0.715198 0 194 63.546 0.000100449 -3.53999 63.546000 Cu 0.711332 0.702882 0.5 195 63.546 0.000134761 -3.53997 63.546000 Cu 0.719355 0.725434 0.5 200 63.546 6.542e-05 -3.53997 63.546000 Cu 0.760428 0.713096 3.60382e-19 197 63.546 4.92851e-05 -3.53995 63.546000 Cu 0.850554 0.71095 1.80191e-19 162 63.546 0.000163052 -3.53994 63.546000 Cu 0.809483 0.723312 0.5 199 63.546 8.43312e-06 -3.53994 63.546000 Cu 0.989826 0.719191 0.5 167 63.546 7.19496e-05 -3.53997 63.546000 Cu 0.940728 0.708897 0 165 63.546 0.00010397 -3.53996 63.546000 Cu 0.899624 0.721207 0.5 168 63.546 0.000125855 -3.53996 63.546000 Cu 0.0468655 0.752087 3.00318e-19 170 63.546 2.9068e-05 -3.53998 63.546000 Cu 0.0879595 0.739797 0.5 171 63.546 8.50682e-05 -3.53998 63.546000 Cu 0.178202 0.737755 0.5 300 63.546 4.01834e-05 -3.53998 63.546000 Cu 0.137047 0.750066 1.2283e-16 336 63.546 7.90107e-05 -3.53999 63.546000 Cu 0.227266 0.74799 0 298 63.546 1.15163e-05 -3.53998 63.546000 Cu 0.268405 0.735665 0.5 299 63.546 5.39844e-05 -3.53996 63.546000 Cu 0.317474 0.745888 2.04937e-16 301 63.546 2.62324e-05 -3.53996 63.546000 Cu 0.407613 0.743797 9.86245e-17 266 63.546 7.50433e-05 -3.53997 63.546000 Cu 0.358535 0.733538 0.5 268 63.546 0.000105662 -3.53996 63.546000 Cu 0.366535 0.75612 0.5 303 63.546 6.35348e-05 -3.53997 63.546000 Cu 0.44869 0.731481 0.5 267 63.546 0.00011923 -3.53997 63.546000 Cu 0.497766 0.741778 1.92564e-16 269 63.546 5.10051e-05 -3.53997 63.546000 Cu 0.456696 0.754072 0.5 272 63.546 8.03767e-05 -3.53998 63.546000 Cu 0.546866 0.752087 0.5 271 63.546 2.9068e-05 -3.53998 63.546000 Cu 0.587959 0.739797 6.00637e-20 232 63.546 8.50682e-05 -3.53998 63.546000 Cu 0.637047 0.750066 0.5 238 63.546 7.90107e-05 -3.53999 63.546000 Cu 0.678202 0.737755 1.2277e-16 235 63.546 4.01834e-05 -3.53998 63.546000 Cu 0.727266 0.74799 0.5 237 63.546 1.15163e-05 -3.53998 63.546000 Cu 0.768405 0.735665 1.20127e-19 198 63.546 5.39844e-05 -3.53996 63.546000 Cu 0.858535 0.733538 2.9281e-16 201 63.546 0.000105662 -3.53996 63.546000 Cu 0.866535 0.75612 7.32777e-17 202 63.546 6.35348e-05 -3.53997 63.546000 Cu 0.817474 0.745888 0.5 204 63.546 2.62324e-05 -3.53996 63.546000 Cu 0.997766 0.741778 0.5 172 63.546 5.10051e-05 -3.53997 63.546000 Cu 0.94869 0.731481 2.27161e-16 166 63.546 0.00011923 -3.53997 63.546000 Cu 0.907613 0.743797 0.5 203 63.546 7.50433e-05 -3.53997 63.546000 Cu 0.956696 0.754072 1.93045e-16 205 63.546 8.03767e-05 -3.53998 63.546000 Cu 0.00580307 0.764377 0.5 207 63.546 2.73153e-05 -3.53997 63.546000 Cu 0.0548793 0.774672 1.38267e-16 209 63.546 4.85312e-05 -3.53998 63.546000 Cu 0.0959953 0.762379 0.5 173 63.546 0.000109589 -3.53998 63.546000 Cu 0.145057 0.772637 2.4536e-16 337 63.546 4.64489e-05 -3.53997 63.546000 Cu 0.186156 0.760318 0.5 338 63.546 3.28255e-05 -3.53998 63.546000 Cu 0.194086 0.782892 0.5 342 63.546 8.98036e-05 -3.53996 63.546000 Cu 0.276344 0.758224 0.5 304 63.546 8.2267e-06 -3.53997 63.546000 Cu 0.235218 0.77055 1 339 63.546 1.48517e-05 -3.53997 63.546000 Cu 0.284277 0.780776 0.5 341 63.546 2.27078e-05 -3.53996 63.546000 Cu 0.325427 0.768445 6.00637e-20 302 63.546 3.11022e-05 -3.53997 63.546000 Cu 0.415606 0.766375 0 305 63.546 8.39955e-05 -3.53998 63.546000 Cu 0.37449 0.778681 0.5 308 63.546 6.52214e-05 -3.53998 63.546000 Cu 0.505803 0.764377 1.2277e-16 270 63.546 2.73153e-05 -3.53997 63.546000 Cu 0.464675 0.77665 0.5 307 63.546 6.82138e-05 -3.53998 63.546000 Cu 0.554879 0.774672 0.5 276 63.546 4.85312e-05 -3.53998 63.546000 Cu 0.595995 0.762379 2.4542e-16 273 63.546 0.000109589 -3.53998 63.546000 Cu 0.645057 0.772637 0.5 275 63.546 4.64489e-05 -3.53997 63.546000 Cu 0.686156 0.760318 5.13544e-17 236 63.546 3.28255e-05 -3.53998 63.546000 Cu 0.735218 0.77055 0.5 242 63.546 1.48517e-05 -3.53997 63.546000 Cu 0.694086 0.782892 0 277 63.546 8.98036e-05 -3.53996 63.546000 Cu 0.776344 0.758224 2.93111e-17 239 63.546 8.2267e-06 -3.53997 63.546000 Cu 0.784277 0.780776 2.40255e-19 240 63.546 2.27078e-05 -3.53996 63.546000 Cu 0.825427 0.768445 0.5 241 63.546 3.11022e-05 -3.53997 63.546000 Cu 0.87449 0.778681 0 243 63.546 6.52214e-05 -3.53998 63.546000 Cu 0.964675 0.77665 1.65776e-17 206 63.546 6.82138e-05 -3.53998 63.546000 Cu 0.915606 0.766375 0.5 208 63.546 8.39955e-05 -3.53998 63.546000 Cu 0.0628281 0.797259 0 210 63.546 0.000124658 -3.53996 63.546000 Cu 0.0137462 0.78696 0.5 212 63.546 4.01593e-05 -3.53997 63.546000 Cu 0.0218106 0.80955 0.5 249 63.546 0.000102599 -3.53995 63.546000 Cu 0.103931 0.784964 0.5 211 63.546 0.000145873 -3.53997 63.546000 Cu 0.111943 0.807549 0.5 213 63.546 0.000199825 -3.53996 63.546000 Cu 0.152976 0.795216 0 378 63.546 0.00011199 -3.53996 63.546000 Cu 0.202085 0.805451 0.5 380 63.546 8.85912e-05 -3.53997 63.546000 Cu 0.243133 0.793103 2.75692e-17 340 63.546 7.01417e-05 -3.53996 63.546000 Cu 0.292275 0.80331 0.5 346 63.546 6.19835e-05 -3.53997 63.546000 Cu 0.333354 0.790984 6.9854e-17 343 63.546 0.000130316 -3.53997 63.546000 Cu 0.382485 0.801227 0.5 345 63.546 0.000115683 -3.53999 63.546000 Cu 0.42356 0.788932 1.2271e-16 306 63.546 0.000152151 -3.53999 63.546000 Cu 0.513746 0.78696 0 309 63.546 4.01593e-05 -3.53997 63.546000 Cu 0.521811 0.80955 1.20127e-19 310 63.546 0.000102599 -3.53995 63.546000 Cu 0.472676 0.799226 0.5 312 63.546 6.32965e-05 -3.53997 63.546000 Cu 0.603931 0.784964 6.36074e-17 274 63.546 0.000145873 -3.53997 63.546000 Cu 0.562828 0.797259 0.5 311 63.546 0.000124658 -3.53996 63.546000 Cu 0.611943 0.807549 0 313 63.546 0.000199825 -3.53996 63.546000 Cu 0.652976 0.795216 0.5 280 63.546 0.00011199 -3.53996 63.546000 Cu 0.702085 0.805451 2.22836e-17 278 63.546 8.85912e-05 -3.53997 63.546000 Cu 0.743133 0.793103 0.5 279 63.546 7.01417e-05 -3.53996 63.546000 Cu 0.833354 0.790984 0.5 246 63.546 0.000130316 -3.53997 63.546000 Cu 0.792275 0.80331 1.20127e-19 281 63.546 6.19835e-05 -3.53997 63.546000 Cu 0.882485 0.801227 1.20127e-19 244 63.546 0.000115683 -3.53999 63.546000 Cu 0.92356 0.788932 0.5 245 63.546 0.000152151 -3.53999 63.546000 Cu 0.972676 0.799226 2.15869e-16 247 63.546 6.32965e-05 -3.53997 63.546000 Cu 0.0709774 0.819858 1.2265e-16 251 63.546 0.000187621 -3.53993 63.546000 Cu 0.0300529 0.832141 0.5 254 63.546 0.000176913 -3.53991 63.546000 Cu 0.120138 0.830145 0.5 253 63.546 0.000321293 -3.53994 63.546000 Cu 0.161073 0.817802 0 379 63.546 0.000220622 -3.53995 63.546000 Cu 0.210231 0.828006 0.5 384 63.546 8.11688e-05 -3.53996 63.546000 Cu 0.251223 0.815646 1.27575e-16 381 63.546 5.21205e-05 -3.53996 63.546000 Cu 0.300382 0.825827 0.5 383 63.546 0.000290554 -3.53995 63.546000 Cu 0.341428 0.813522 1.24512e-16 344 63.546 0.000168475 -3.53998 63.546000 Cu 0.390607 0.823767 0.5 350 63.546 0.000197457 -3.53998 63.546000 Cu 0.349586 0.836038 1.09256e-16 385 63.546 0.000352086 -3.53995 63.546000 Cu 0.431643 0.811496 0 347 63.546 0.000151449 -3.53998 63.546000 Cu 0.439854 0.834045 1.12019e-16 348 63.546 0.000203855 -3.53995 63.546000 Cu 0.480838 0.821809 0.5 349 63.546 4.67215e-05 -3.53995 63.546000 Cu 0.530053 0.832141 0 351 63.546 0.000176913 -3.53991 63.546000 Cu 0.620138 0.830145 1.17665e-16 314 63.546 0.000321293 -3.53994 63.546000 Cu 0.570977 0.819858 0.5 316 63.546 0.000187621 -3.53993 63.546000 Cu 0.661073 0.817802 0.5 315 63.546 0.000220622 -3.53995 63.546000 Cu 0.751223 0.815646 0.5 284 63.546 5.21205e-05 -3.53996 63.546000 Cu 0.710231 0.828006 1.2271e-16 317 63.546 8.11688e-05 -3.53996 63.546000 Cu 0.800382 0.825827 1.76767e-16 282 63.546 0.000290554 -3.53995 63.546000 Cu 0.841428 0.813522 0.5 283 63.546 0.000168475 -3.53998 63.546000 Cu 0.849586 0.836038 0.5 288 63.546 0.000352086 -3.53995 63.546000 Cu 0.980838 0.821809 1.38867e-16 248 63.546 4.67215e-05 -3.53995 63.546000 Cu 0.931643 0.811496 0.5 250 63.546 0.000151449 -3.53998 63.546000 Cu 0.890607 0.823767 5.81416e-17 285 63.546 0.000197457 -3.53998 63.546000 Cu 0.939854 0.834045 0.5 287 63.546 0.000203855 -3.53995 63.546000 Cu 0.0792479 0.842468 1.2271e-16 252 63.546 0.000465346 -3.53988 63.546000 Cu 0.0383602 0.854745 0.5 291 63.546 0.000433594 -3.53983 63.546000 Cu 0.12839 0.852754 0.5 255 63.546 0.000660105 -3.53985 63.546000 Cu 0.169309 0.84039 3.50171e-17 416 63.546 0.000412706 -3.53992 63.546000 Cu 0.177487 0.862985 0 417 63.546 0.000773538 -3.53982 63.546000 Cu 0.218422 0.850558 0.5 418 63.546 0.000178179 -3.53988 63.546000 Cu 0.25941 0.838175 0 382 63.546 0.000139803 -3.53993 63.546000 Cu 0.308619 0.848327 0.5 388 63.546 0.000581465 -3.5399 63.546000 Cu 0.267566 0.860669 1 419 63.546 0.00069826 -3.5398 63.546000 Cu 0.357888 0.858518 7.44189e-17 386 63.546 0.000767711 -3.53985 63.546000 Cu 0.398899 0.846279 0.5 387 63.546 0.000396195 -3.53993 63.546000 Cu 0.489132 0.844379 0.5 354 63.546 7.6564e-05 -3.53989 63.546000 Cu 0.448195 0.856582 9.56213e-17 389 63.546 0.000319415 -3.53989 63.546000 Cu 0.53836 0.854745 1.20127e-19 352 63.546 0.000433594 -3.53983 63.546000 Cu 0.579248 0.842468 0.5 353 63.546 0.000465346 -3.53988 63.546000 Cu 0.62839 0.852754 1.2271e-16 355 63.546 0.000660105 -3.53985 63.546000 Cu 0.718422 0.850558 2.453e-16 318 63.546 0.000178179 -3.53988 63.546000 Cu 0.669309 0.84039 0.5 320 63.546 0.000412706 -3.53992 63.546000 Cu 0.677487 0.862985 0.5 357 63.546 0.000773538 -3.53982 63.546000 Cu 0.75941 0.838175 0.5 319 63.546 0.000139803 -3.53993 63.546000 Cu 0.767566 0.860669 0.5 324 63.546 0.00069826 -3.5398 63.546000 Cu 0.808619 0.848327 6.00637e-20 321 63.546 0.000581465 -3.5399 63.546000 Cu 0.857888 0.858518 0.5 323 63.546 0.000767711 -3.53985 63.546000 Cu 0.989132 0.844379 9.27984e-17 289 63.546 7.6564e-05 -3.53989 63.546000 Cu 0.898899 0.846279 1.8908e-16 286 63.546 0.000396195 -3.53993 63.546000 Cu 0.948195 0.856582 0.5 292 63.546 0.000319415 -3.53989 63.546000 Cu 0.0875134 0.865107 1.81693e-16 293 63.546 0.00121835 -3.53976 63.546000 Cu 0.0466263 0.877379 0.5 295 63.546 0.000933042 -3.53967 63.546000 Cu 0.0056731 0.88957 1.20127e-19 329 63.546 0.000712014 -3.53963 63.546000 Cu 0.0957165 0.887789 1.2277e-16 294 63.546 0.00252757 -3.53948 63.546000 Cu 0.136582 0.875409 0.5 446 63.546 0.00170745 -3.53965 63.546000 Cu 0.185561 0.885615 0 447 63.546 0.00176802 -3.53951 63.546000 Cu 0.275611 0.883139 1.2265e-16 420 63.546 0.00206293 -3.53945 63.546000 Cu 0.22654 0.873114 0.5 422 63.546 0.000450047 -3.53969 63.546000 Cu 0.316757 0.870785 0.5 421 63.546 0.00158832 -3.53971 63.546000 Cu 0.407173 0.868769 0.5 392 63.546 0.000886382 -3.53983 63.546000 Cu 0.366043 0.880944 2.4518e-16 423 63.546 0.00231778 -3.53961 63.546000 Cu 0.415329 0.891225 0.5 425 63.546 0.00178898 -3.53962 63.546000 Cu 0.456448 0.879121 0 390 63.546 0.000481176 -3.53978 63.546000 Cu 0.497446 0.866961 0.5 391 63.546 0.000214242 -3.53981 63.546000 Cu 0.505673 0.88957 0.5 396 63.546 0.000712014 -3.53963 63.546000 Cu 0.546626 0.877379 1.88059e-16 393 63.546 0.000933042 -3.53967 63.546000 Cu 0.587513 0.865107 0.5 358 63.546 0.00121835 -3.53976 63.546000 Cu 0.636582 0.875409 1.2259e-16 356 63.546 0.00170745 -3.53965 63.546000 Cu 0.595716 0.887789 0.5 395 63.546 0.00252757 -3.53948 63.546000 Cu 0.72654 0.873114 1.9821e-18 359 63.546 0.000450047 -3.53969 63.546000 Cu 0.685561 0.885615 0.5 362 63.546 0.00176802 -3.53951 63.546000 Cu 0.775611 0.883139 0.5 361 63.546 0.00206293 -3.53945 63.546000 Cu 0.816757 0.870785 1.20127e-19 322 63.546 0.00158832 -3.53971 63.546000 Cu 0.866043 0.880944 0.5 328 63.546 0.00231778 -3.53961 63.546000 Cu 0.997446 0.866961 0 290 63.546 0.000214242 -3.53981 63.546000 Cu 0.907173 0.868769 0 325 63.546 0.000886382 -3.53983 63.546000 Cu 0.915329 0.891225 0 326 63.546 0.00178898 -3.53962 63.546000 Cu 0.956448 0.879121 0.5 327 63.546 0.000481176 -3.53978 63.546000 Cu 0.0138263 0.912202 4.44471e-18 330 63.546 0.00141542 -3.53921 63.546000 Cu 0.0548087 0.90007 0.5 331 63.546 0.00249524 -3.53932 63.546000 Cu 0.103836 0.910554 1.80191e-19 333 63.546 0.00606815 -3.53882 63.546000 Cu 0.193505 0.908293 0 448 63.546 0.00419753 -3.53874 63.546000 Cu 0.144666 0.898122 0.5 450 63.546 0.00410954 -3.53917 63.546000 Cu 0.234493 0.895676 0.5 449 63.546 0.00126835 -3.53916 63.546000 Cu 0.283465 0.905557 0 451 63.546 0.00647021 -3.53844 63.546000 Cu 0.242255 0.918258 0.5 454 63.546 0.00438137 -3.53773 63.546000 Cu 0.32479 0.893182 0.5 426 63.546 0.00459196 -3.53918 63.546000 Cu 0.332657 0.915482 0.5 453 63.546 0.0140717 -3.53806 63.546000 Cu 0.374045 0.903317 1.18866e-16 424 63.546 0.00537693 -3.53913 63.546000 Cu 0.42338 0.913649 0.5 430 63.546 0.00311182 -3.53914 63.546000 Cu 0.464592 0.90165 0 427 63.546 0.000795168 -3.53953 63.546000 Cu 0.513826 0.912202 0.5 429 63.546 0.00141542 -3.53921 63.546000 Cu 0.554809 0.90007 2.05898e-16 394 63.546 0.00249524 -3.53932 63.546000 Cu 0.644666 0.898122 4.3366e-17 397 63.546 0.00410954 -3.53917 63.546000 Cu 0.603836 0.910554 0.5 400 63.546 0.00606815 -3.53882 63.546000 Cu 0.734493 0.895676 2.88125e-16 360 63.546 0.00126835 -3.53916 63.546000 Cu 0.693505 0.908293 0.5 399 63.546 0.00419753 -3.53874 63.546000 Cu 0.742255 0.918258 1.20127e-19 401 63.546 0.00438137 -3.53773 63.546000 Cu 0.82479 0.893182 1.20127e-19 363 63.546 0.00459196 -3.53918 63.546000 Cu 0.832657 0.915482 1.80191e-19 364 63.546 0.0140717 -3.53806 63.546000 Cu 0.783465 0.905557 0.5 366 63.546 0.00647021 -3.53844 63.546000 Cu 0.874045 0.903317 0.5 365 63.546 0.00537693 -3.53913 63.546000 Cu 0.964592 0.90165 0.5 332 63.546 0.000795168 -3.53953 63.546000 Cu 0.92338 0.913649 1.2289e-16 367 63.546 0.00311182 -3.53914 63.546000 Cu 0.0629614 0.922823 0.5 335 63.546 0.00517647 -3.53858 63.546000 Cu 0.0220161 0.934873 2.79716e-16 371 63.546 0.00289485 -3.53828 63.546000 Cu 0.0711938 0.945659 0.5 373 63.546 0.0096733 -3.53674 63.546000 Cu 0.111974 0.933429 5.62797e-17 334 63.546 0.0137763 -3.53738 63.546000 Cu 0.152673 0.92093 0.5 470 63.546 0.0100869 -3.53797 63.546000 Cu 0.160683 0.943901 0.5 474 63.546 0.0261905 -3.53501 63.546000 Cu 0.20137 0.931069 2.4536e-16 471 63.546 0.0122964 -3.5367 63.546000 Cu 0.291154 0.927873 1.20127e-19 452 63.546 0.0234251 -3.53547 63.546000 Cu 0.249821 0.940883 0.5 473 63.546 0.016083 -3.53321 63.546000 Cu 0.382001 0.925616 1.4133e-16 455 63.546 0.0111117 -3.53814 63.546000 Cu 0.340373 0.937669 0.5 458 63.546 0.0376238 -3.53541 63.546000 Cu 0.431435 0.936029 0.5 457 63.546 0.00519555 -3.53806 63.546000 Cu 0.472719 0.924185 1.20127e-19 428 63.546 0.00138954 -3.53891 63.546000 Cu 0.522016 0.934873 0.5 434 63.546 0.00289485 -3.53828 63.546000 Cu 0.562961 0.922823 3.6813e-16 431 63.546 0.00517647 -3.53858 63.546000 Cu 0.571194 0.945659 1.7887e-16 432 63.546 0.0096733 -3.53674 63.546000 Cu 0.611974 0.933429 0.5 433 63.546 0.0137763 -3.53738 63.546000 Cu 0.652673 0.92093 1.63373e-17 398 63.546 0.0100869 -3.53797 63.546000 Cu 0.660683 0.943901 0 435 63.546 0.0261905 -3.53501 63.546000 Cu 0.749821 0.940883 1.74185e-17 402 63.546 0.016083 -3.53321 63.546000 Cu 0.70137 0.931069 0.5 404 63.546 0.0122964 -3.5367 63.546000 Cu 0.791154 0.927873 0.5 403 63.546 0.0234251 -3.53547 63.546000 Cu 0.840373 0.937669 3.13532e-17 405 63.546 0.0376238 -3.53541 63.546000 Cu 0.882001 0.925616 0.5 370 63.546 0.0111117 -3.53814 63.546000 Cu 0.931435 0.936029 6.00637e-20 368 63.546 0.00519555 -3.53806 63.546000 Cu 0.972719 0.924185 0.5 369 63.546 0.00138954 -3.53891 63.546000 Cu 0.0303498 0.957587 2.08121e-16 372 63.546 0.00559648 -3.53638 63.546000 Cu 0.079589 0.968654 0.5 377 63.546 0.0214774 -3.53329 63.546000 Cu 0.120197 0.956471 0 375 63.546 0.0299305 -3.53307 63.546000 Cu 0.168663 0.967145 0.5 484 63.546 0.0714197 -3.52207 63.546000 Cu 0.209144 0.954027 0 472 63.546 0.0402604 -3.53081 63.546000 Cu 0.298642 0.950008 0 475 63.546 0.100218 -3.52455 63.546000 Cu 0.25697 0.963682 0.5 478 63.546 0.0806504 -3.51896 63.546000 Cu 0.305978 0.971748 1.03009e-16 476 63.546 0.429166 -3.4894 63.546000 Cu 0.389951 0.947814 2.40255e-19 456 63.546 0.0196607 -3.53606 63.546000 Cu 0.348086 0.959655 0.5 477 63.546 0.106468 -3.52882 63.546000 Cu 0.398082 0.969885 1.2271e-16 479 63.546 0.0282778 -3.53254 63.546000 Cu 0.439624 0.958353 0.5 462 63.546 0.00756708 -3.53597 63.546000 Cu 0.480932 0.946707 1.20127e-19 459 63.546 0.00248377 -3.53754 63.546000 Cu 0.489164 0.969225 0 460 63.546 0.00598281 -3.53594 63.546000 Cu 0.53035 0.957587 0.5 461 63.546 0.00559648 -3.53638 63.546000 Cu 0.620197 0.956471 0.5 438 63.546 0.0299305 -3.53307 63.546000 Cu 0.579589 0.968654 0 463 63.546 0.0214774 -3.53329 63.546000 Cu 0.668663 0.967145 0 436 63.546 0.0714197 -3.52207 63.546000 Cu 0.709144 0.954027 0.5 437 63.546 0.0402604 -3.53081 63.546000 Cu 0.75697 0.963682 1.9845e-16 439 63.546 0.0806504 -3.51896 63.546000 Cu 0.848086 0.959655 3.33353e-16 406 63.546 0.106468 -3.52882 63.546000 Cu 0.798642 0.950008 0.5 408 63.546 0.100218 -3.52455 63.546000 Cu 0.805978 0.971748 0.5 441 63.546 0.429166 -3.4894 63.546000 Cu 0.980932 0.946707 0.5 374 63.546 0.00248377 -3.53754 63.546000 Cu 0.989164 0.969225 0.5 411 63.546 0.00598281 -3.53594 63.546000 Cu 0.889951 0.947814 0.5 407 63.546 0.0196607 -3.53606 63.546000 Cu 0.939624 0.958353 0 409 63.546 0.00756708 -3.53597 63.546000 Cu 0.898082 0.969885 0.5 412 63.546 0.0282778 -3.53254 63.546000 Cu 0.0382663 0.980348 0 413 63.546 0.0169232 -3.53596 63.546000 Cu 0.0867658 0.991651 0.5 414 63.546 0.0608923 -3.53473 63.546000 Cu 0.128876 0.979893 0 376 63.546 0.102604 -3.52579 63.546000 Cu 0.178007 0.991338 0.5 488 63.546 0.558899 -3.49073 63.546000 Cu 0.216803 0.977377 4.90119e-17 485 63.546 0.258997 -3.48535 63.546000 Cu 0.263907 0.986411 0.5 487 63.546 5.49816 -3.36394 63.546000 Cu 0.314971 0.99281 1.70941e-16 489 63.546 7.12049 -3.37782 63.546000 Cu 0.405333 0.991927 0 480 63.546 0.08646 -3.53269 63.546000 Cu 0.356198 0.981383 0.5 482 63.546 0.264835 -3.51511 63.546000 Cu 0.44749 0.980659 0.5 481 63.546 0.0230986 -3.53495 63.546000 Cu 0.495756 0.991806 0 483 63.546 0.0533426 -3.53779 63.546000 Cu 0.538266 0.980348 0.5 466 63.546 0.0169232 -3.53596 63.546000 Cu 0.586766 0.991651 1.20127e-19 464 63.546 0.0608923 -3.53473 63.546000 Cu 0.628876 0.979893 0.5 465 63.546 0.102604 -3.52579 63.546000 Cu 0.716803 0.977377 0.5 442 63.546 0.258997 -3.48535 63.546000 Cu 0.678007 0.991338 0 467 63.546 0.558899 -3.49073 63.546000 Cu 0.763907 0.986411 4.12217e-16 440 63.546 5.49816 -3.36394 63.546000 Cu 0.856198 0.981383 1.13761e-16 443 63.546 0.264835 -3.51511 63.546000 Cu 0.814971 0.99281 0.5 445 63.546 7.12049 -3.37782 63.546000 Cu 0.995756 0.991806 0.5 415 63.546 0.0533426 -3.53779 63.546000 Cu 0.94749 0.980659 1.65355e-16 410 63.546 0.0230986 -3.53495 63.546000 Cu 0.905333 0.991927 0.5 444 63.546 0.08646 -3.53269