Number of particles = 1032 A = 1 Angstrom (basic length-scale) H0(1,1) = 29.1643 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 116.586 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60725 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 0.0669558 0.0115003 3.60674e-19 526 63.546 0.331691 -3.50286 63.546000 Cu 0.00466692 0.0118863 0.5 527 63.546 0.119768 -3.53023 63.546000 Cu 0.134344 0.00966086 0.5 529 63.546 4.73943 -3.46142 63.546000 Cu 0.0112217 0.0273654 1.99573e-17 537 63.546 0.123378 -3.5211 63.546000 Cu 0.0757802 0.025965 0.5 539 63.546 0.0526458 -3.53595 63.546000 Cu 0.140661 0.0240991 4.80899e-19 541 63.546 0.070552 -3.51516 63.546000 Cu 0.197124 0.00643981 0 528 63.546 9.28395 -3.32695 63.546000 Cu 0.206552 0.0209996 0.5 543 63.546 1.03949 -3.45146 63.546000 Cu 0.267639 0.0168583 1.22749e-16 545 63.546 1.13392 -3.41472 63.546000 Cu 0.332712 0.0311093 1.99573e-17 546 63.546 0.0863625 -3.49825 63.546000 Cu 0.322319 0.0132116 0.5 547 63.546 0.547032 -3.46759 63.546000 Cu 0.381923 0.0126154 1.23711e-16 549 63.546 0.167629 -3.51659 63.546000 Cu 0.389981 0.0292397 0.5 552 63.546 0.0830902 -3.52575 63.546000 Cu 0.449722 0.0282593 2.6209e-17 550 63.546 0.0855586 -3.5286 63.546000 Cu 0.44301 0.0121641 0.5 551 63.546 0.0920677 -3.52911 63.546000 Cu 0.504667 0.0118863 3.60674e-19 553 63.546 0.119768 -3.53023 63.546000 Cu 0.566956 0.0115003 0.5 555 63.546 0.331691 -3.50286 63.546000 Cu 0.511222 0.0273654 0.5 556 63.546 0.123378 -3.5211 63.546000 Cu 0.57578 0.025965 7.30966e-17 554 63.546 0.0526458 -3.53595 63.546000 Cu 0.634344 0.00966086 1.20225e-19 557 63.546 4.73943 -3.46142 63.546000 Cu 0.706552 0.0209996 3.60674e-19 558 63.546 1.03949 -3.45146 63.546000 Cu 0.697124 0.00643981 0.5 559 63.546 9.28395 -3.32695 63.546000 Cu 0.640661 0.0240991 0.5 560 63.546 0.070552 -3.51516 63.546000 Cu 0.822319 0.0132116 1.99573e-17 562 63.546 0.547032 -3.46759 63.546000 Cu 0.767639 0.0168583 0.5 564 63.546 1.13392 -3.41472 63.546000 Cu 0.832712 0.0311093 0.5 595 63.546 0.0863625 -3.49825 63.546000 Cu 0.94301 0.0121641 2.28427e-17 524 63.546 0.0920677 -3.52911 63.546000 Cu 0.881923 0.0126154 0.5 525 63.546 0.167629 -3.51659 63.546000 Cu 0.889981 0.0292397 2.40449e-19 533 63.546 0.0830902 -3.52575 63.546000 Cu 0.949722 0.0282593 0.5 535 63.546 0.0855586 -3.5286 63.546000 Cu 0.0840011 0.0407535 1.99573e-17 538 63.546 0.0227085 -3.53564 63.546000 Cu 0.0206258 0.0425408 0.5 540 63.546 0.0381058 -3.53679 63.546000 Cu 0.0300858 0.0577724 1.14334e-16 569 63.546 0.0101002 -3.53769 63.546000 Cu 0.0929076 0.0556843 0.5 571 63.546 0.0104986 -3.5422 63.546000 Cu 0.212996 0.036069 1.99573e-17 542 63.546 0.104752 -3.53741 63.546000 Cu 0.148952 0.0385929 0.5 544 63.546 0.0247018 -3.53419 63.546000 Cu 0.274663 0.0333637 0.5 548 63.546 0.19795 -3.50333 63.546000 Cu 0.156364 0.0535359 1.99573e-17 573 63.546 0.0202145 -3.54249 63.546000 Cu 0.219276 0.0514207 0.5 575 63.546 0.0314572 -3.54008 63.546000 Cu 0.28047 0.0494541 5.02539e-17 577 63.546 0.0291075 -3.5337 63.546000 Cu 0.34748 0.0634676 0 578 63.546 0.0126342 -3.53104 63.546000 Cu 0.340257 0.047588 0.5 579 63.546 0.0341782 -3.52298 63.546000 Cu 0.286801 0.0651981 0.5 580 63.546 0.00463572 -3.53571 63.546000 Cu 0.399259 0.0458134 1.38739e-16 581 63.546 0.0310833 -3.52699 63.546000 Cu 0.407874 0.0616804 0.5 584 63.546 0.0177926 -3.52858 63.546000 Cu 0.468565 0.0597702 1.43067e-17 582 63.546 0.0125125 -3.53375 63.546000 Cu 0.458831 0.0441793 0.5 583 63.546 0.0497516 -3.53008 63.546000 Cu 0.520626 0.0425408 1.20225e-19 585 63.546 0.0381058 -3.53679 63.546000 Cu 0.530086 0.0577724 0.5 588 63.546 0.0101002 -3.53769 63.546000 Cu 0.592908 0.0556843 1.99573e-17 586 63.546 0.0104986 -3.5422 63.546000 Cu 0.584001 0.0407535 0.5 587 63.546 0.0227085 -3.53564 63.546000 Cu 0.648952 0.0385929 0 589 63.546 0.0247018 -3.53419 63.546000 Cu 0.712996 0.036069 0.5 591 63.546 0.104752 -3.53741 63.546000 Cu 0.656364 0.0535359 0.5 592 63.546 0.0202145 -3.54249 63.546000 Cu 0.719276 0.0514207 0 590 63.546 0.0314572 -3.54008 63.546000 Cu 0.774663 0.0333637 1.34291e-16 593 63.546 0.19795 -3.50333 63.546000 Cu 0.840257 0.047588 1.99573e-17 594 63.546 0.0341782 -3.52298 63.546000 Cu 0.78047 0.0494541 0.5 596 63.546 0.0291075 -3.5337 63.546000 Cu 0.786801 0.0651981 7.3818e-17 625 63.546 0.00463572 -3.53571 63.546000 Cu 0.84748 0.0634676 0.5 627 63.546 0.0126342 -3.53104 63.546000 Cu 0.958831 0.0441793 2.40449e-19 534 63.546 0.0497516 -3.53008 63.546000 Cu 0.899259 0.0458134 0.5 536 63.546 0.0310833 -3.52699 63.546000 Cu 0.907874 0.0616804 1.79135e-17 565 63.546 0.0177926 -3.52858 63.546000 Cu 0.968565 0.0597702 0.5 567 63.546 0.0125125 -3.53375 63.546000 Cu 0.10149 0.0708641 1.22749e-16 570 63.546 0.00755301 -3.54255 63.546000 Cu 0.0393384 0.0730161 0.5 572 63.546 0.00171366 -3.53951 63.546000 Cu 0.0479019 0.0883229 1.19503e-16 601 63.546 0.00198981 -3.54033 63.546000 Cu 0.109573 0.0862307 0.5 603 63.546 0.00430892 -3.54116 63.546000 Cu 0.225541 0.0669392 1.2287e-16 574 63.546 0.00525939 -3.54035 63.546000 Cu 0.163715 0.068806 0.5 576 63.546 0.0120118 -3.54303 63.546000 Cu 0.171072 0.0842846 2.24339e-16 605 63.546 0.00293381 -3.54097 63.546000 Cu 0.239861 0.0980005 2.40449e-19 606 63.546 0.000545088 -3.53947 63.546000 Cu 0.232452 0.0824825 0.5 607 63.546 0.000910885 -3.53983 63.546000 Cu 0.178622 0.0998036 0.5 608 63.546 0.00057468 -3.53977 63.546000 Cu 0.293723 0.0807514 2.40449e-19 609 63.546 0.00163283 -3.53781 63.546000 Cu 0.362694 0.0944072 3.22202e-17 610 63.546 0.00208359 -3.53882 63.546000 Cu 0.35496 0.0790071 0.5 611 63.546 0.00446027 -3.53513 63.546000 Cu 0.301233 0.0962293 0.5 612 63.546 0.00137365 -3.53927 63.546000 Cu 0.416189 0.0771484 1.11208e-16 613 63.546 0.00559444 -3.53467 63.546000 Cu 0.424358 0.0924895 0.5 616 63.546 0.00156501 -3.53865 63.546000 Cu 0.48612 0.0904458 1.99573e-17 614 63.546 0.000739536 -3.53909 63.546000 Cu 0.477602 0.0751494 0.5 615 63.546 0.00328773 -3.53591 63.546000 Cu 0.539338 0.0730161 5.85494e-17 617 63.546 0.00171366 -3.53951 63.546000 Cu 0.547902 0.0883229 0.5 620 63.546 0.00198981 -3.54033 63.546000 Cu 0.609573 0.0862307 1.18301e-16 618 63.546 0.00430892 -3.54116 63.546000 Cu 0.60149 0.0708641 0.5 619 63.546 0.00755301 -3.54255 63.546000 Cu 0.663715 0.068806 1.91157e-17 621 63.546 0.0120118 -3.54303 63.546000 Cu 0.671072 0.0842846 0.5 624 63.546 0.00293381 -3.54097 63.546000 Cu 0.678622 0.0998036 1.20225e-19 655 63.546 0.00057468 -3.53977 63.546000 Cu 0.732452 0.0824825 5.98719e-17 622 63.546 0.000910885 -3.53983 63.546000 Cu 0.725541 0.0669392 0.5 623 63.546 0.00525939 -3.54035 63.546000 Cu 0.85496 0.0790071 0 626 63.546 0.00446027 -3.53513 63.546000 Cu 0.793723 0.0807514 0.5 628 63.546 0.00163283 -3.53781 63.546000 Cu 0.739861 0.0980005 0.5 657 63.546 0.000545088 -3.53947 63.546000 Cu 0.801233 0.0962293 1.20225e-19 659 63.546 0.00137365 -3.53927 63.546000 Cu 0.977602 0.0751494 1.99573e-17 566 63.546 0.00328773 -3.53591 63.546000 Cu 0.916189 0.0771484 0.5 568 63.546 0.00559444 -3.53467 63.546000 Cu 0.924358 0.0924895 1.99573e-17 597 63.546 0.00156501 -3.53865 63.546000 Cu 0.98612 0.0904458 0.5 599 63.546 0.000739536 -3.53909 63.546000 Cu 0.862694 0.0944072 0.5 661 63.546 0.00208359 -3.53882 63.546000 Cu 0.117322 0.101705 2.40449e-19 602 63.546 0.0012458 -3.54043 63.546000 Cu 0.055913 0.103706 0.5 604 63.546 0.0015852 -3.54081 63.546000 Cu 0.00212806 0.121123 0.5 633 63.546 0.000713273 -3.54085 63.546000 Cu 0.0636767 0.119142 1.04596e-17 635 63.546 0.000738131 -3.54067 63.546000 Cu 0.132687 0.132686 2.56079e-17 636 63.546 0.00011073 -3.53962 63.546000 Cu 0.125032 0.117205 0.5 637 63.546 0.000271293 -3.54015 63.546000 Cu 0.186262 0.11532 6.94899e-17 639 63.546 0.000175612 -3.53945 63.546000 Cu 0.255378 0.128908 5.16966e-18 640 63.546 0.000390573 -3.53926 63.546000 Cu 0.247535 0.113477 0.5 641 63.546 0.000717093 -3.5392 63.546000 Cu 0.193999 0.130796 0.5 642 63.546 0.000225347 -3.5393 63.546000 Cu 0.309011 0.111638 1.50401e-16 643 63.546 0.000903324 -3.53916 63.546000 Cu 0.378598 0.125077 1.99573e-17 644 63.546 0.000114471 -3.53976 63.546000 Cu 0.370671 0.109756 0.5 645 63.546 0.000712243 -3.53954 63.546000 Cu 0.316891 0.127006 0.5 646 63.546 0.000366659 -3.53931 63.546000 Cu 0.432467 0.107791 1.2311e-16 647 63.546 0.000333722 -3.53999 63.546000 Cu 0.502128 0.121123 2.40449e-19 648 63.546 0.000713273 -3.54085 63.546000 Cu 0.494239 0.105757 0.5 649 63.546 0.000667224 -3.54051 63.546000 Cu 0.440395 0.123111 0.5 650 63.546 0.00024255 -3.54035 63.546000 Cu 0.555913 0.103706 2.40449e-19 651 63.546 0.0015852 -3.54081 63.546000 Cu 0.563677 0.119142 0.5 654 63.546 0.000738131 -3.54067 63.546000 Cu 0.625032 0.117205 2.39247e-17 652 63.546 0.000271293 -3.54015 63.546000 Cu 0.617322 0.101705 0.5 653 63.546 0.0012458 -3.54043 63.546000 Cu 0.686262 0.11532 0.5 658 63.546 0.000175612 -3.53945 63.546000 Cu 0.632687 0.132686 0.5 687 63.546 0.00011073 -3.53962 63.546000 Cu 0.693999 0.130796 1.1217e-16 689 63.546 0.000225347 -3.5393 63.546000 Cu 0.747535 0.113477 6.16753e-17 656 63.546 0.000717093 -3.5392 63.546000 Cu 0.809011 0.111638 0.5 662 63.546 0.000903324 -3.53916 63.546000 Cu 0.755378 0.128908 0.5 691 63.546 0.000390573 -3.53926 63.546000 Cu 0.816891 0.127006 1.57254e-16 693 63.546 0.000366659 -3.53931 63.546000 Cu 0.994239 0.105757 1.69998e-16 598 63.546 0.000667224 -3.54051 63.546000 Cu 0.932467 0.107791 0.5 600 63.546 0.000333722 -3.53999 63.546000 Cu 0.878598 0.125077 0.5 630 63.546 0.000114471 -3.53976 63.546000 Cu 0.940395 0.123111 1.05197e-16 631 63.546 0.00024255 -3.54035 63.546000 Cu 0.870671 0.109756 0 660 63.546 0.000712243 -3.53954 63.546000 Cu 0.00981473 0.136516 8.74034e-17 632 63.546 0.00035783 -3.54033 63.546000 Cu 0.0713105 0.134592 0.5 638 63.546 0.000204546 -3.53998 63.546000 Cu 0.0173924 0.151926 0.5 667 63.546 6.09962e-05 -3.54029 63.546000 Cu 0.0788932 0.150023 1.20225e-19 669 63.546 3.14209e-05 -3.53971 63.546000 Cu 0.140332 0.148129 0.5 671 63.546 0.000111358 -3.5394 63.546000 Cu 0.0864966 0.165437 0.5 672 63.546 2.55355e-05 -3.53972 63.546000 Cu 0.14799 0.163537 3.00562e-17 670 63.546 8.29706e-05 -3.53943 63.546000 Cu 0.201761 0.146228 7.88674e-17 673 63.546 0.000189599 -3.53953 63.546000 Cu 0.271063 0.159693 7.67034e-17 674 63.546 4.26626e-05 -3.5398 63.546000 Cu 0.26324 0.14431 0.5 675 63.546 0.000154251 -3.53972 63.546000 Cu 0.209512 0.161626 0.5 676 63.546 0.000108099 -3.53949 63.546000 Cu 0.324804 0.142371 0 677 63.546 6.92488e-05 -3.54004 63.546000 Cu 0.394254 0.155791 9.47371e-17 678 63.546 9.35465e-05 -3.54056 63.546000 Cu 0.386463 0.140416 0.5 679 63.546 0.000101341 -3.54034 63.546000 Cu 0.332654 0.157744 0.5 680 63.546 2.65557e-05 -3.54022 63.546000 Cu 0.448158 0.138461 1.20225e-19 681 63.546 0.000239399 -3.54053 63.546000 Cu 0.517392 0.151926 6.09539e-17 682 63.546 6.09962e-05 -3.54029 63.546000 Cu 0.509815 0.136516 0.5 683 63.546 0.00035783 -3.54033 63.546000 Cu 0.455844 0.153848 0.5 684 63.546 0.000127421 -3.54066 63.546000 Cu 0.57131 0.134592 9.96663e-17 685 63.546 0.000204546 -3.53998 63.546000 Cu 0.640332 0.148129 1.18421e-16 686 63.546 0.000111358 -3.5394 63.546000 Cu 0.578893 0.150023 0.5 688 63.546 3.14209e-05 -3.53971 63.546000 Cu 0.701761 0.146228 0.5 692 63.546 0.000189599 -3.53953 63.546000 Cu 0.586497 0.165437 1.99573e-17 717 63.546 2.55355e-05 -3.53972 63.546000 Cu 0.64799 0.163537 0.5 719 63.546 8.29706e-05 -3.53943 63.546000 Cu 0.709512 0.161626 6.92494e-17 721 63.546 0.000108099 -3.53949 63.546000 Cu 0.76324 0.14431 0 690 63.546 0.000154251 -3.53972 63.546000 Cu 0.824804 0.142371 0.5 694 63.546 6.92488e-05 -3.54004 63.546000 Cu 0.771063 0.159693 0.5 723 63.546 4.26626e-05 -3.5398 63.546000 Cu 0.832654 0.157744 0 725 63.546 2.65557e-05 -3.54022 63.546000 Cu 0.886463 0.140416 8.29551e-18 629 63.546 0.000101341 -3.54034 63.546000 Cu 0.948158 0.138461 0.5 634 63.546 0.000239399 -3.54053 63.546000 Cu 0.894254 0.155791 0.5 664 63.546 9.35465e-05 -3.54056 63.546000 Cu 0.955844 0.153848 2.40449e-19 665 63.546 0.000127421 -3.54066 63.546000 Cu 0.0250021 0.167341 0 666 63.546 1.1244e-05 -3.5401 63.546000 Cu 0.0403287 0.198142 2.69544e-16 698 63.546 1.86438e-05 -3.53988 63.546000 Cu 0.032651 0.182747 0.5 699 63.546 1.01899e-05 -3.53987 63.546000 Cu 0.0941478 0.180836 0 701 63.546 3.34376e-05 -3.53976 63.546000 Cu 0.10185 0.196223 0.5 704 63.546 1.72692e-05 -3.54 63.546000 Cu 0.1634 0.194301 2.40449e-19 702 63.546 4.9167e-06 -3.54018 63.546000 Cu 0.155677 0.178923 0.5 703 63.546 3.39544e-05 -3.5397 63.546000 Cu 0.217245 0.176999 2.40449e-19 705 63.546 1.10845e-05 -3.53971 63.546000 Cu 0.278832 0.175066 0.5 707 63.546 1.41454e-05 -3.53994 63.546000 Cu 0.224966 0.192374 0.5 708 63.546 1.99319e-06 -3.54031 63.546000 Cu 0.286545 0.190444 5.35e-17 706 63.546 7.79226e-06 -3.54037 63.546000 Cu 0.340414 0.173125 1.70839e-16 709 63.546 3.35873e-05 -3.54017 63.546000 Cu 0.409654 0.186584 1.63506e-17 710 63.546 1.5704e-05 -3.54015 63.546000 Cu 0.401967 0.171186 0.5 711 63.546 3.44678e-05 -3.54033 63.546000 Cu 0.348111 0.188512 0.5 712 63.546 1.43483e-05 -3.54031 63.546000 Cu 0.463499 0.169256 9.32944e-17 713 63.546 2.49741e-05 -3.54031 63.546000 Cu 0.532651 0.182747 1.99573e-17 714 63.546 1.01899e-05 -3.53987 63.546000 Cu 0.525002 0.167341 0.5 715 63.546 1.1244e-05 -3.5401 63.546000 Cu 0.471158 0.184662 0.5 716 63.546 4.93555e-06 -3.53998 63.546000 Cu 0.540329 0.198142 0.5 747 63.546 1.86438e-05 -3.53988 63.546000 Cu 0.655677 0.178923 1.99573e-17 718 63.546 3.39544e-05 -3.5397 63.546000 Cu 0.594148 0.180836 0.5 720 63.546 3.34376e-05 -3.53976 63.546000 Cu 0.60185 0.196223 1.09404e-17 749 63.546 1.72692e-05 -3.54 63.546000 Cu 0.6634 0.194301 0.5 751 63.546 4.9167e-06 -3.54018 63.546000 Cu 0.778832 0.175066 5.71067e-17 722 63.546 1.41454e-05 -3.53994 63.546000 Cu 0.717245 0.176999 0.5 724 63.546 1.10845e-05 -3.53971 63.546000 Cu 0.840414 0.173125 0.5 726 63.546 3.35873e-05 -3.54017 63.546000 Cu 0.724966 0.192374 0 753 63.546 1.99319e-06 -3.54031 63.546000 Cu 0.786545 0.190444 0.5 755 63.546 7.79226e-06 -3.54037 63.546000 Cu 0.848111 0.188512 5.30191e-17 757 63.546 1.43483e-05 -3.54031 63.546000 Cu 0.901967 0.171186 3.52258e-17 663 63.546 3.44678e-05 -3.54033 63.546000 Cu 0.963499 0.169256 0.5 668 63.546 2.49741e-05 -3.54031 63.546000 Cu 0.909654 0.186584 0.5 696 63.546 1.5704e-05 -3.54015 63.546000 Cu 0.971158 0.184662 1.99573e-17 697 63.546 4.93555e-06 -3.53998 63.546000 Cu 0.0557469 0.228892 3.61876e-17 730 63.546 1.19979e-06 -3.53973 63.546000 Cu 0.0480336 0.213522 0.5 731 63.546 9.71457e-06 -3.53981 63.546000 Cu 0.109576 0.211601 0 733 63.546 7.71028e-06 -3.53993 63.546000 Cu 0.117295 0.22697 0.5 736 63.546 1.30639e-06 -3.53967 63.546000 Cu 0.178843 0.225046 9.7382e-17 734 63.546 1.76983e-06 -3.53961 63.546000 Cu 0.171128 0.209678 0.5 735 63.546 6.063e-06 -3.54002 63.546000 Cu 0.232684 0.207752 1.99573e-17 737 63.546 7.19344e-06 -3.54008 63.546000 Cu 0.240389 0.223121 0.5 740 63.546 2.45541e-06 -3.53956 63.546000 Cu 0.301925 0.221198 1.99573e-17 738 63.546 2.16803e-06 -3.53956 63.546000 Cu 0.29424 0.205825 0.5 739 63.546 9.54021e-06 -3.54008 63.546000 Cu 0.355784 0.203899 1.57615e-16 741 63.546 9.09748e-06 -3.54003 63.546000 Cu 0.424976 0.217358 1.02552e-16 742 63.546 6.43804e-06 -3.53969 63.546000 Cu 0.417313 0.201977 0.5 743 63.546 8.21751e-06 -3.53992 63.546000 Cu 0.363453 0.219277 0.5 744 63.546 2.61903e-06 -3.53962 63.546000 Cu 0.478821 0.200058 8.1873e-17 745 63.546 1.13314e-05 -3.53985 63.546000 Cu 0.548034 0.213522 0 746 63.546 9.71457e-06 -3.53981 63.546000 Cu 0.4865 0.215441 0.5 748 63.546 1.03876e-05 -3.53974 63.546000 Cu 0.432669 0.232731 0.5 777 63.546 1.48169e-06 -3.53979 63.546000 Cu 0.494206 0.230812 1.14213e-17 779 63.546 1.28977e-06 -3.53977 63.546000 Cu 0.555747 0.228892 0.5 781 63.546 1.19979e-06 -3.53973 63.546000 Cu 0.671128 0.209678 1.04716e-16 750 63.546 6.063e-06 -3.54002 63.546000 Cu 0.609576 0.211601 0.5 752 63.546 7.71028e-06 -3.53993 63.546000 Cu 0.617295 0.22697 2.75315e-17 783 63.546 1.30639e-06 -3.53967 63.546000 Cu 0.678843 0.225046 0.5 785 63.546 1.76983e-06 -3.53961 63.546000 Cu 0.79424 0.205825 1.20225e-19 754 63.546 9.54021e-06 -3.54008 63.546000 Cu 0.732684 0.207752 0.5 756 63.546 7.19344e-06 -3.54008 63.546000 Cu 0.855784 0.203899 0.5 758 63.546 9.09748e-06 -3.54003 63.546000 Cu 0.740389 0.223121 1.99573e-17 787 63.546 2.45541e-06 -3.53956 63.546000 Cu 0.801925 0.221198 0.5 789 63.546 2.16803e-06 -3.53956 63.546000 Cu 0.917313 0.201977 4.80899e-19 695 63.546 8.21751e-06 -3.53992 63.546000 Cu 0.978821 0.200058 0.5 700 63.546 1.13314e-05 -3.53985 63.546000 Cu 0.932669 0.232731 6.0473e-17 727 63.546 1.48169e-06 -3.53979 63.546000 Cu 0.924976 0.217358 0.5 728 63.546 6.43804e-06 -3.53969 63.546000 Cu 0.9865 0.215441 1.99573e-17 729 63.546 1.03876e-05 -3.53974 63.546000 Cu 0.994206 0.230812 0.5 732 63.546 1.28977e-06 -3.53977 63.546000 Cu 0.863453 0.219277 5.18169e-17 791 63.546 2.61903e-06 -3.53962 63.546000 Cu 0.00191499 0.246181 2.2482e-17 763 63.546 2.05718e-07 -3.5399 63.546000 Cu 0.0711571 0.259632 0 764 63.546 1.07891e-06 -3.53994 63.546000 Cu 0.0634551 0.244259 0.5 765 63.546 1.29785e-06 -3.5399 63.546000 Cu 0.00962271 0.261552 0.5 766 63.546 5.87382e-07 -3.53981 63.546000 Cu 0.124998 0.242336 1.99573e-17 767 63.546 3.3597e-06 -3.53991 63.546000 Cu 0.132692 0.257711 0.5 770 63.546 8.25624e-07 -3.54009 63.546000 Cu 0.194227 0.255789 1.22509e-16 768 63.546 8.90252e-08 -3.54021 63.546000 Cu 0.18654 0.240413 0.5 769 63.546 4.90615e-06 -3.53992 63.546000 Cu 0.248078 0.23849 0 771 63.546 4.31813e-06 -3.5399 63.546000 Cu 0.255764 0.253866 0.5 774 63.546 2.87082e-07 -3.54023 63.546000 Cu 0.317302 0.251944 2.40449e-19 772 63.546 1.00709e-06 -3.54016 63.546000 Cu 0.30961 0.236569 0.5 773 63.546 2.00711e-06 -3.53986 63.546000 Cu 0.371139 0.234649 1.73124e-17 775 63.546 1.1185e-06 -3.53982 63.546000 Cu 0.37884 0.250023 0.5 778 63.546 8.42918e-07 -3.54005 63.546000 Cu 0.386544 0.265394 1.99573e-17 809 63.546 7.42627e-07 -3.53978 63.546000 Cu 0.440377 0.248102 4.46034e-17 776 63.546 2.33718e-07 -3.53995 63.546000 Cu 0.563455 0.244259 2.69303e-17 780 63.546 1.29785e-06 -3.5399 63.546000 Cu 0.501915 0.246181 0.5 782 63.546 2.05718e-07 -3.5399 63.546000 Cu 0.448085 0.263472 0.5 811 63.546 1.96277e-07 -3.53975 63.546000 Cu 0.509623 0.261552 2.40449e-19 813 63.546 5.87382e-07 -3.53981 63.546000 Cu 0.571157 0.259632 0.5 815 63.546 1.07891e-06 -3.53994 63.546000 Cu 0.68654 0.240413 1.07601e-16 784 63.546 4.90615e-06 -3.53992 63.546000 Cu 0.624998 0.242336 0.5 786 63.546 3.3597e-06 -3.53991 63.546000 Cu 0.632692 0.257711 5.96315e-17 817 63.546 8.25624e-07 -3.54009 63.546000 Cu 0.694227 0.255789 0.5 819 63.546 8.90252e-08 -3.54021 63.546000 Cu 0.80961 0.236569 3.96742e-17 788 63.546 2.00711e-06 -3.53986 63.546000 Cu 0.748078 0.23849 0.5 790 63.546 4.31813e-06 -3.5399 63.546000 Cu 0.755764 0.253866 6.01124e-19 821 63.546 2.87082e-07 -3.54023 63.546000 Cu 0.817302 0.251944 0.5 823 63.546 1.00709e-06 -3.54016 63.546000 Cu 0.87884 0.250023 1.85867e-16 759 63.546 8.42918e-07 -3.54005 63.546000 Cu 0.948085 0.263472 2.33236e-17 760 63.546 1.96277e-07 -3.53975 63.546000 Cu 0.940377 0.248102 0.5 761 63.546 2.33718e-07 -3.53995 63.546000 Cu 0.886544 0.265394 0.5 762 63.546 7.42627e-07 -3.53978 63.546000 Cu 0.871139 0.234649 0.5 792 63.546 1.1185e-06 -3.53982 63.546000 Cu 0.0173277 0.276923 1.20225e-19 797 63.546 6.7017e-06 -3.53967 63.546000 Cu 0.0865303 0.290386 3.60674e-19 798 63.546 8.53472e-06 -3.53982 63.546000 Cu 0.0788538 0.275006 0.5 799 63.546 3.08215e-06 -3.53973 63.546000 Cu 0.0250166 0.292304 0.5 800 63.546 1.60984e-05 -3.5399 63.546000 Cu 0.14038 0.273087 1.99573e-17 801 63.546 8.90836e-07 -3.53982 63.546000 Cu 0.209595 0.286539 1.99573e-17 802 63.546 4.72827e-06 -3.53976 63.546000 Cu 0.201912 0.271166 0.5 803 63.546 2.15014e-06 -3.53989 63.546000 Cu 0.148054 0.288464 0.5 804 63.546 6.3169e-06 -3.53976 63.546000 Cu 0.263453 0.269242 0 805 63.546 2.97575e-06 -3.53989 63.546000 Cu 0.271148 0.284612 0.5 808 63.546 2.97048e-06 -3.53975 63.546000 Cu 0.278857 0.299983 1.20225e-19 837 63.546 6.21995e-06 -3.54014 63.546000 Cu 0.332704 0.282685 2.40449e-19 806 63.546 3.67807e-06 -3.53973 63.546000 Cu 0.324999 0.267317 0.5 807 63.546 2.0391e-06 -3.53984 63.546000 Cu 0.394255 0.280762 0.5 812 63.546 6.54513e-06 -3.53969 63.546000 Cu 0.340428 0.298058 0.5 839 63.546 1.34594e-05 -3.54011 63.546000 Cu 0.401975 0.296138 1.99573e-17 841 63.546 1.88238e-05 -3.54004 63.546000 Cu 0.455796 0.278841 1.11448e-16 810 63.546 8.34315e-06 -3.53967 63.546000 Cu 0.517328 0.276923 0.5 816 63.546 6.7017e-06 -3.53967 63.546000 Cu 0.463503 0.294221 0.5 843 63.546 2.20775e-05 -3.53998 63.546000 Cu 0.525017 0.292304 2.40449e-19 845 63.546 1.60984e-05 -3.5399 63.546000 Cu 0.578854 0.275006 2.40449e-19 814 63.546 3.08215e-06 -3.53973 63.546000 Cu 0.701912 0.271166 1.62784e-16 818 63.546 2.15014e-06 -3.53989 63.546000 Cu 0.64038 0.273087 0.5 820 63.546 8.90836e-07 -3.53982 63.546000 Cu 0.58653 0.290386 0.5 847 63.546 8.53472e-06 -3.53982 63.546000 Cu 0.648054 0.288464 6.92494e-17 849 63.546 6.3169e-06 -3.53976 63.546000 Cu 0.709595 0.286539 0.5 851 63.546 4.72827e-06 -3.53976 63.546000 Cu 0.824999 0.267317 3.34225e-17 822 63.546 2.0391e-06 -3.53984 63.546000 Cu 0.763453 0.269242 0.5 824 63.546 2.97575e-06 -3.53989 63.546000 Cu 0.771148 0.284612 0 853 63.546 2.97048e-06 -3.53975 63.546000 Cu 0.840428 0.298058 2.11596e-17 854 63.546 1.34594e-05 -3.54011 63.546000 Cu 0.832704 0.282685 0.5 855 63.546 3.67807e-06 -3.53973 63.546000 Cu 0.778857 0.299983 0.5 856 63.546 6.21995e-06 -3.54014 63.546000 Cu 0.894255 0.280762 7.1173e-17 793 63.546 6.54513e-06 -3.53969 63.546000 Cu 0.963503 0.294221 0 794 63.546 2.20775e-05 -3.53998 63.546000 Cu 0.955796 0.278841 0.5 795 63.546 8.34315e-06 -3.53967 63.546000 Cu 0.901975 0.296138 0.5 796 63.546 1.88238e-05 -3.54004 63.546000 Cu 0.0326729 0.307702 2.53434e-16 829 63.546 6.85506e-06 -3.54012 63.546000 Cu 0.101846 0.321175 1.99573e-17 830 63.546 4.08858e-05 -3.54033 63.546000 Cu 0.0941812 0.305777 0.5 831 63.546 1.56581e-05 -3.54015 63.546000 Cu 0.0403179 0.323108 0.5 832 63.546 3.63046e-05 -3.54019 63.546000 Cu 0.155717 0.303846 2.40449e-19 833 63.546 1.83696e-05 -3.54014 63.546000 Cu 0.224988 0.317291 8.71629e-17 834 63.546 8.83225e-06 -3.54015 63.546000 Cu 0.217283 0.301913 0.5 835 63.546 8.73693e-06 -3.54015 63.546000 Cu 0.163403 0.319232 0.5 836 63.546 2.75093e-05 -3.54031 63.546000 Cu 0.232726 0.332667 0.5 867 63.546 4.10199e-05 -3.53957 63.546000 Cu 0.348146 0.31344 2.40449e-19 838 63.546 3.50657e-05 -3.53996 63.546000 Cu 0.286575 0.31536 0.5 840 63.546 1.36499e-05 -3.54005 63.546000 Cu 0.409682 0.311528 0.5 844 63.546 3.83355e-05 -3.53997 63.546000 Cu 0.294283 0.330738 0 869 63.546 9.93982e-05 -3.53944 63.546000 Cu 0.355812 0.328828 0.5 871 63.546 8.54853e-05 -3.5395 63.546000 Cu 0.41732 0.326928 1.99573e-17 873 63.546 3.62464e-05 -3.53971 63.546000 Cu 0.471186 0.309618 1.99573e-17 842 63.546 1.77831e-05 -3.54002 63.546000 Cu 0.532673 0.307702 0.5 848 63.546 6.85506e-06 -3.54012 63.546000 Cu 0.478813 0.325025 0.5 875 63.546 2.00931e-05 -3.53993 63.546000 Cu 0.540318 0.323108 2.40449e-19 877 63.546 3.63046e-05 -3.54019 63.546000 Cu 0.594181 0.305777 3.6909e-17 846 63.546 1.56581e-05 -3.54015 63.546000 Cu 0.655717 0.303846 0.5 852 63.546 1.83696e-05 -3.54014 63.546000 Cu 0.601846 0.321175 0.5 879 63.546 4.08858e-05 -3.54033 63.546000 Cu 0.663403 0.319232 1.43188e-16 881 63.546 2.75093e-05 -3.54031 63.546000 Cu 0.717283 0.301913 3.37831e-17 850 63.546 8.73693e-06 -3.54015 63.546000 Cu 0.732726 0.332667 4.56854e-18 882 63.546 4.10199e-05 -3.53957 63.546000 Cu 0.724988 0.317291 0.5 883 63.546 8.83225e-06 -3.54015 63.546000 Cu 0.786575 0.31536 1.99573e-17 885 63.546 1.36499e-05 -3.54005 63.546000 Cu 0.855812 0.328828 1.99573e-17 886 63.546 8.54853e-05 -3.5395 63.546000 Cu 0.848146 0.31344 0.5 887 63.546 3.50657e-05 -3.53996 63.546000 Cu 0.794283 0.330738 0.5 888 63.546 9.93982e-05 -3.53944 63.546000 Cu 0.909682 0.311528 0 825 63.546 3.83355e-05 -3.53997 63.546000 Cu 0.978813 0.325025 5.5664e-17 826 63.546 2.00931e-05 -3.53993 63.546000 Cu 0.971186 0.309618 0.5 827 63.546 1.77831e-05 -3.54002 63.546000 Cu 0.91732 0.326928 0.5 828 63.546 3.62464e-05 -3.53971 63.546000 Cu 0.047954 0.338509 1.24793e-16 861 63.546 0.000118021 -3.54038 63.546000 Cu 0.117297 0.351936 1.99573e-17 862 63.546 7.6546e-05 -3.54062 63.546000 Cu 0.109548 0.336565 0.5 863 63.546 7.53037e-05 -3.54032 63.546000 Cu 0.0555826 0.353893 0.5 864 63.546 0.000193262 -3.54079 63.546000 Cu 0.171157 0.334613 1.08082e-16 865 63.546 1.4778e-05 -3.53998 63.546000 Cu 0.240525 0.348049 1.10126e-16 866 63.546 0.000202034 -3.5395 63.546000 Cu 0.178965 0.349984 0.5 868 63.546 8.87034e-05 -3.54004 63.546000 Cu 0.186798 0.365357 0 899 63.546 0.000459062 -3.54 63.546000 Cu 0.248319 0.363459 0.5 901 63.546 0.00046597 -3.53966 63.546000 Cu 0.363403 0.344237 7.04517e-17 870 63.546 0.000128497 -3.53962 63.546000 Cu 0.301986 0.346136 0.5 872 63.546 0.000225833 -3.53932 63.546000 Cu 0.424872 0.342342 0.5 876 63.546 3.63127e-05 -3.53992 63.546000 Cu 0.309676 0.361575 1.99573e-17 903 63.546 0.000182385 -3.53942 63.546000 Cu 0.370983 0.359686 0.5 905 63.546 9.54596e-05 -3.53971 63.546000 Cu 0.486381 0.340436 1.70719e-17 874 63.546 8.03697e-05 -3.54019 63.546000 Cu 0.547954 0.338509 0.5 880 63.546 0.000118021 -3.54038 63.546000 Cu 0.432366 0.357774 9.99067e-17 907 63.546 0.000234156 -3.54025 63.546000 Cu 0.493906 0.355841 0.5 909 63.546 0.000289827 -3.54065 63.546000 Cu 0.555583 0.353893 1.20225e-19 911 63.546 0.000193262 -3.54079 63.546000 Cu 0.609548 0.336565 4.26798e-17 878 63.546 7.53037e-05 -3.54032 63.546000 Cu 0.671157 0.334613 0.5 884 63.546 1.4778e-05 -3.53998 63.546000 Cu 0.617297 0.351936 0.5 913 63.546 7.6546e-05 -3.54062 63.546000 Cu 0.678965 0.349984 1.20225e-19 915 63.546 8.87034e-05 -3.54004 63.546000 Cu 0.686798 0.365357 0.5 918 63.546 0.000459062 -3.54 63.546000 Cu 0.748319 0.363459 3.05371e-17 916 63.546 0.00046597 -3.53966 63.546000 Cu 0.740525 0.348049 0.5 917 63.546 0.000202034 -3.5395 63.546000 Cu 0.801986 0.346136 1.99573e-17 919 63.546 0.000225833 -3.53932 63.546000 Cu 0.809676 0.361575 0.5 922 63.546 0.000182385 -3.53942 63.546000 Cu 0.924872 0.342342 1.22749e-16 857 63.546 3.63127e-05 -3.53992 63.546000 Cu 0.993906 0.355841 1.99573e-17 858 63.546 0.000289827 -3.54065 63.546000 Cu 0.986381 0.340436 0.5 859 63.546 8.03697e-05 -3.54019 63.546000 Cu 0.932366 0.357774 0.5 860 63.546 0.000234156 -3.54025 63.546000 Cu 0.870983 0.359686 3.40236e-17 920 63.546 9.54596e-05 -3.53971 63.546000 Cu 0.863403 0.344237 0.5 921 63.546 0.000128497 -3.53962 63.546000 Cu 0.00926623 0.386578 3.11382e-17 892 63.546 0.000543703 -3.54026 63.546000 Cu 0.00148933 0.37123 0.5 893 63.546 0.000675493 -3.54074 63.546000 Cu 0.063253 0.369243 0 895 63.546 0.000212442 -3.5406 63.546000 Cu 0.132874 0.382607 1.19022e-17 896 63.546 0.000764854 -3.53912 63.546000 Cu 0.12509 0.367284 0.5 897 63.546 0.000156181 -3.54035 63.546000 Cu 0.0710841 0.384554 0.5 898 63.546 0.000322258 -3.53953 63.546000 Cu 0.140596 0.397948 0.5 931 63.546 0.00217383 -3.53782 63.546000 Cu 0.0790057 0.39985 0 929 63.546 0.00195587 -3.5378 63.546000 Cu 0.256003 0.378903 1.20225e-19 900 63.546 0.000690133 -3.53928 63.546000 Cu 0.194542 0.380737 0.5 902 63.546 0.00100937 -3.53928 63.546000 Cu 0.202072 0.396144 1.30083e-16 933 63.546 0.0014165 -3.53865 63.546000 Cu 0.26346 0.394377 0.5 935 63.546 0.000664469 -3.53957 63.546000 Cu 0.378543 0.375162 7.23753e-17 904 63.546 0.000302703 -3.53959 63.546000 Cu 0.317286 0.377054 0.5 906 63.546 0.000187369 -3.5393 63.546000 Cu 0.324761 0.392566 0 937 63.546 0.000787171 -3.54002 63.546000 Cu 0.386066 0.390649 0.5 939 63.546 0.00147265 -3.54038 63.546000 Cu 0.501489 0.37123 4.31607e-17 908 63.546 0.000675493 -3.54074 63.546000 Cu 0.439904 0.373215 0.5 910 63.546 0.000778493 -3.54033 63.546000 Cu 0.563253 0.369243 0.5 914 63.546 0.000212442 -3.5406 63.546000 Cu 0.447555 0.388635 1.99573e-17 941 63.546 0.0014768 -3.54059 63.546000 Cu 0.509266 0.386578 0.5 943 63.546 0.000543703 -3.54026 63.546000 Cu 0.571084 0.384554 1.31406e-16 945 63.546 0.000322258 -3.53953 63.546000 Cu 0.62509 0.367284 1.99573e-17 912 63.546 0.000156181 -3.54035 63.546000 Cu 0.640596 0.397948 9.20921e-17 946 63.546 0.00217383 -3.53782 63.546000 Cu 0.632874 0.382607 0.5 947 63.546 0.000764854 -3.53912 63.546000 Cu 0.694542 0.380737 8.81247e-17 949 63.546 0.00100937 -3.53928 63.546000 Cu 0.702072 0.396144 0.5 952 63.546 0.0014165 -3.53865 63.546000 Cu 0.579006 0.39985 0.5 948 63.546 0.00195587 -3.5378 63.546000 Cu 0.76346 0.394377 8.70427e-17 950 63.546 0.000664469 -3.53957 63.546000 Cu 0.756003 0.378903 0.5 951 63.546 0.000690133 -3.53928 63.546000 Cu 0.817286 0.377054 1.99573e-17 953 63.546 0.000187369 -3.5393 63.546000 Cu 0.824761 0.392566 0.5 954 63.546 0.000787171 -3.54002 63.546000 Cu 0.886066 0.390649 2.06787e-17 889 63.546 0.00147265 -3.54038 63.546000 Cu 0.878543 0.375162 0.5 890 63.546 0.000302703 -3.53959 63.546000 Cu 0.939904 0.373215 1.21066e-16 891 63.546 0.000778493 -3.54033 63.546000 Cu 0.947555 0.388635 0.5 894 63.546 0.0014768 -3.54059 63.546000 Cu 0.0255449 0.417184 1.79135e-17 926 63.546 0.00405514 -3.5353 63.546000 Cu 0.0172484 0.401881 0.5 927 63.546 0.000756933 -3.53882 63.546000 Cu 0.0868439 0.415199 0.5 932 63.546 0.00636014 -3.53461 63.546000 Cu 0.0342603 0.432591 0.5 959 63.546 0.014214 -3.53345 63.546000 Cu 0.0948147 0.430706 1.99573e-17 961 63.546 0.0178214 -3.52915 63.546000 Cu 0.148069 0.41335 0 930 63.546 0.00521412 -3.53543 63.546000 Cu 0.270578 0.409896 0 934 63.546 0.00121306 -3.54026 63.546000 Cu 0.209271 0.411618 0.5 936 63.546 0.00178236 -3.53774 63.546000 Cu 0.155134 0.428922 0.5 963 63.546 0.0124628 -3.53122 63.546000 Cu 0.21581 0.427185 2.40449e-19 965 63.546 0.00514477 -3.53538 63.546000 Cu 0.277196 0.425425 0.5 967 63.546 0.00736334 -3.54027 63.546000 Cu 0.393705 0.406113 1.99573e-17 938 63.546 0.00441529 -3.54192 63.546000 Cu 0.332064 0.408085 0.5 940 63.546 0.00401259 -3.5419 63.546000 Cu 0.33923 0.423532 4.82101e-17 969 63.546 0.0131442 -3.54311 63.546000 Cu 0.401669 0.421461 0.5 971 63.546 0.00719834 -3.54264 63.546000 Cu 0.517248 0.401881 1.57494e-16 942 63.546 0.000756933 -3.53882 63.546000 Cu 0.455455 0.404003 0.5 944 63.546 0.00140217 -3.54044 63.546000 Cu 0.463855 0.419304 1.99573e-17 973 63.546 0.00167657 -3.53913 63.546000 Cu 0.53426 0.432591 1.14334e-16 974 63.546 0.014214 -3.53345 63.546000 Cu 0.525545 0.417184 0.5 975 63.546 0.00405514 -3.5353 63.546000 Cu 0.586844 0.415199 3.04169e-17 977 63.546 0.00636014 -3.53461 63.546000 Cu 0.655134 0.428922 2.40449e-19 978 63.546 0.0124628 -3.53122 63.546000 Cu 0.648069 0.41335 0.5 979 63.546 0.00521412 -3.53543 63.546000 Cu 0.594815 0.430706 0.5 980 63.546 0.0178214 -3.52915 63.546000 Cu 0.709271 0.411618 3.60674e-19 981 63.546 0.00178236 -3.53774 63.546000 Cu 0.777196 0.425425 5.08551e-17 982 63.546 0.00736334 -3.54027 63.546000 Cu 0.770578 0.409896 0.5 983 63.546 0.00121306 -3.54026 63.546000 Cu 0.71581 0.427185 0.5 984 63.546 0.00514477 -3.53538 63.546000 Cu 0.832064 0.408085 1.99573e-17 985 63.546 0.00401259 -3.5419 63.546000 Cu 0.83923 0.423532 0.5 986 63.546 0.0131442 -3.54311 63.546000 Cu 0.901669 0.421461 2.40449e-19 923 63.546 0.00719834 -3.54264 63.546000 Cu 0.893705 0.406113 0.5 924 63.546 0.00441529 -3.54192 63.546000 Cu 0.955455 0.404003 2.76517e-17 925 63.546 0.00140217 -3.54044 63.546000 Cu 0.963855 0.419304 0.5 928 63.546 0.00167657 -3.53913 63.546000 Cu 0.0435334 0.448251 0 958 63.546 0.05008 -3.53146 63.546000 Cu 0.102926 0.446624 0.5 964 63.546 0.0304842 -3.52723 63.546000 Cu 0.0521162 0.464235 0.5 991 63.546 0.0919459 -3.53061 63.546000 Cu 0.111708 0.463265 1.22509e-16 993 63.546 0.0869197 -3.52588 63.546000 Cu 0.161887 0.444829 6.01124e-19 962 63.546 0.0357725 -3.52142 63.546000 Cu 0.221706 0.442933 0.5 968 63.546 0.0348014 -3.53235 63.546000 Cu 0.168928 0.461356 0.5 995 63.546 0.0867321 -3.49519 63.546000 Cu 0.227032 0.459028 2.56079e-17 997 63.546 0.223306 -3.5072 63.546000 Cu 0.283146 0.440894 1.99573e-17 966 63.546 0.0360645 -3.53887 63.546000 Cu 0.410043 0.436608 7.77854e-17 970 63.546 0.0120042 -3.54157 63.546000 Cu 0.346398 0.438745 0.5 972 63.546 0.0197325 -3.54108 63.546000 Cu 0.289106 0.456189 0.5 999 63.546 0.119628 -3.53496 63.546000 Cu 0.353521 0.453612 2.01978e-17 1001 63.546 0.0255594 -3.53264 63.546000 Cu 0.418696 0.451507 0.5 1003 63.546 0.0307046 -3.53528 63.546000 Cu 0.426393 0.466312 1.99573e-17 1002 63.546 0.0580418 -3.53553 63.546000 Cu 0.472864 0.434554 0.5 976 63.546 0.0131325 -3.53732 63.546000 Cu 0.482011 0.44982 5.97517e-17 1005 63.546 0.0459693 -3.53712 63.546000 Cu 0.552116 0.464235 4.05157e-17 1006 63.546 0.0919459 -3.53061 63.546000 Cu 0.543533 0.448251 0.5 1007 63.546 0.05008 -3.53146 63.546000 Cu 0.490639 0.465054 0.5 1008 63.546 0.116235 -3.52431 63.546000 Cu 0.602926 0.446624 1.99573e-17 1009 63.546 0.0304842 -3.52723 63.546000 Cu 0.668928 0.461356 2.40449e-19 1010 63.546 0.0867321 -3.49519 63.546000 Cu 0.661887 0.444829 0.5 1011 63.546 0.0357725 -3.52142 63.546000 Cu 0.611708 0.463265 0.5 1012 63.546 0.0869197 -3.52588 63.546000 Cu 0.721706 0.442933 3.60674e-19 1013 63.546 0.0348014 -3.53235 63.546000 Cu 0.789106 0.456189 1.99573e-17 1014 63.546 0.119628 -3.53496 63.546000 Cu 0.783146 0.440894 0.5 1015 63.546 0.0360645 -3.53887 63.546000 Cu 0.727032 0.459028 0.5 1016 63.546 0.223306 -3.5072 63.546000 Cu 0.846398 0.438745 1.99573e-17 1017 63.546 0.0197325 -3.54108 63.546000 Cu 0.853521 0.453612 0.5 1018 63.546 0.0255594 -3.53264 63.546000 Cu 0.918696 0.451507 1.99573e-17 955 63.546 0.0307046 -3.53528 63.546000 Cu 0.910043 0.436608 0.5 956 63.546 0.0120042 -3.54157 63.546000 Cu 0.972864 0.434554 2.40449e-19 957 63.546 0.0131325 -3.53732 63.546000 Cu 0.982011 0.44982 0.5 960 63.546 0.0459693 -3.53712 63.546000 Cu 0.990639 0.465054 5.90303e-17 989 63.546 0.116235 -3.52431 63.546000 Cu 0.926393 0.466312 0.5 988 63.546 0.0580418 -3.53553 63.546000 Cu 0.0580896 0.480317 1.99573e-17 990 63.546 0.0985083 -3.53073 63.546000 Cu 0.119368 0.479943 0.5 996 63.546 0.203793 -3.51648 63.546000 Cu 0.0600914 0.496179 0.5 1022 63.546 0.12145 -3.53426 63.546000 Cu 0.123154 0.496249 1.22749e-16 1023 63.546 0.383848 -3.52067 63.546000 Cu 0.178725 0.479292 0 994 63.546 0.5228 -3.46996 63.546000 Cu 0.233564 0.475626 0.5 1000 63.546 0.932387 -3.43156 63.546000 Cu 0.188436 0.49641 0.5 1024 63.546 2.41572 -3.51599 63.546000 Cu 0.251386 0.494942 1.99573e-17 1025 63.546 7.941 -3.54296 63.546000 Cu 0.295317 0.471159 3.72697e-18 998 63.546 0.838614 -3.45224 63.546000 Cu 0.361586 0.468038 0.5 1004 63.546 0.0896629 -3.51166 63.546000 Cu 0.305044 0.485529 0.5 1026 63.546 8.89945 -3.30864 63.546000 Cu 0.367522 0.48247 0 1027 63.546 4.43574 -3.46133 63.546000 Cu 0.376657 0.496048 0.5 1030 63.546 6.26769 -3.22104 63.546000 Cu 0.497918 0.496098 0.5 517 63.546 0.0837476 -3.53389 63.546000 Cu 0.55809 0.480317 0.5 518 63.546 0.0985083 -3.53073 63.546000 Cu 0.436644 0.496086 1.99573e-17 1028 63.546 0.414334 -3.49936 63.546000 Cu 0.434161 0.48085 0.5 1029 63.546 0.293606 -3.50906 63.546000 Cu 0.496367 0.480544 0 1031 63.546 0.111728 -3.53202 63.546000 Cu 0.560091 0.496179 6.11944e-17 1032 63.546 0.12145 -3.53426 63.546000 Cu 0.623154 0.496249 0.5 502 63.546 0.383848 -3.52067 63.546000 Cu 0.678725 0.479292 0.5 504 63.546 0.5228 -3.46996 63.546000 Cu 0.688436 0.49641 0 508 63.546 2.41572 -3.51599 63.546000 Cu 0.619368 0.479943 1.08202e-16 516 63.546 0.203793 -3.51648 63.546000 Cu 0.751386 0.494942 0.5 4 63.546 7.941 -3.54296 63.546000 Cu 0.795317 0.471159 0.5 10 63.546 0.838614 -3.45224 63.546000 Cu 0.805044 0.485529 2.40449e-19 12 63.546 8.89945 -3.30864 63.546000 Cu 0.733564 0.475626 1.99573e-17 13 63.546 0.932387 -3.43156 63.546000 Cu 0.997918 0.496098 1.99573e-17 1021 63.546 0.0837476 -3.53389 63.546000 Cu 0.867522 0.48247 0.5 1 63.546 4.43574 -3.46133 63.546000 Cu 0.861586 0.468038 4.80899e-19 2 63.546 0.0896629 -3.51166 63.546000 Cu 0.934161 0.48085 1.99573e-17 987 63.546 0.293606 -3.50906 63.546000 Cu 0.996367 0.480544 0.5 992 63.546 0.111728 -3.53202 63.546000 Cu 0.936644 0.496086 0.5 1020 63.546 0.414334 -3.49936 63.546000 Cu 0.876657 0.496048 1.99573e-17 1019 63.546 6.26769 -3.22104 63.546000 Cu 0.0567845 0.512038 1.22629e-16 7 63.546 0.0860759 -3.52867 63.546000 Cu 0.117841 0.51259 0.5 9 63.546 0.15514 -3.51566 63.546000 Cu 0.0498702 0.528126 0.5 39 63.546 0.0802847 -3.52819 63.546000 Cu 0.109514 0.529189 0 41 63.546 0.0671108 -3.52761 63.546000 Cu 0.177434 0.513323 2.40449e-19 11 63.546 0.547588 -3.46407 63.546000 Cu 0.232178 0.516884 0.5 16 63.546 1.43703 -3.40111 63.546000 Cu 0.166986 0.531082 0.5 44 63.546 0.0866657 -3.50367 63.546000 Cu 0.293021 0.5207 3.60674e-19 14 63.546 1.23957 -3.4507 63.546000 Cu 0.301608 0.505966 0.5 15 63.546 9.51176 -3.34028 63.546000 Cu 0.364848 0.509293 1.99573e-17 17 63.546 4.93803 -3.45749 63.546000 Cu 0.423772 0.525675 1.99573e-17 18 63.546 0.0520888 -3.53694 63.546000 Cu 0.358839 0.523723 0.5 20 63.546 0.0604921 -3.51753 63.546000 Cu 0.432915 0.511264 0.5 19 63.546 0.363747 -3.49955 63.546000 Cu 0.495244 0.511686 1.99573e-17 21 63.546 0.122081 -3.52945 63.546000 Cu 0.54987 0.528126 1.99573e-17 22 63.546 0.0802847 -3.52819 63.546000 Cu 0.556785 0.512038 0.5 23 63.546 0.0860759 -3.52867 63.546000 Cu 0.488446 0.527177 0.5 24 63.546 0.128505 -3.52068 63.546000 Cu 0.617841 0.51259 0 25 63.546 0.15514 -3.51566 63.546000 Cu 0.666986 0.531082 1.99573e-17 26 63.546 0.0866657 -3.50367 63.546000 Cu 0.677434 0.513323 0.5 27 63.546 0.547588 -3.46407 63.546000 Cu 0.609514 0.529189 0.5 28 63.546 0.0671108 -3.52761 63.546000 Cu 0.801608 0.505966 2.74112e-17 3 63.546 9.51176 -3.34028 63.546000 Cu 0.732178 0.516884 1.13011e-16 29 63.546 1.43703 -3.40111 63.546000 Cu 0.793021 0.5207 0.5 31 63.546 1.23957 -3.4507 63.546000 Cu 0.932915 0.511264 1.99573e-17 5 63.546 0.363747 -3.49955 63.546000 Cu 0.864848 0.509293 0.5 6 63.546 4.93803 -3.45749 63.546000 Cu 0.995244 0.511686 0.5 8 63.546 0.122081 -3.52945 63.546000 Cu 0.858839 0.523723 1.99573e-17 33 63.546 0.0604921 -3.51753 63.546000 Cu 0.923772 0.525675 0.5 35 63.546 0.0520888 -3.53694 63.546000 Cu 0.988446 0.527177 3.60674e-19 37 63.546 0.128505 -3.52068 63.546000 Cu 0.0407238 0.544016 0 38 63.546 0.0476092 -3.52948 63.546000 Cu 0.100342 0.545705 0.5 42 63.546 0.0319555 -3.52713 63.546000 Cu 0.0309943 0.559566 0.5 71 63.546 0.0106557 -3.53416 63.546000 Cu 0.0918734 0.561498 2.84933e-17 73 63.546 0.0163869 -3.52881 63.546000 Cu 0.159528 0.54747 0 43 63.546 0.0327565 -3.52411 63.546000 Cu 0.225328 0.533348 1.99573e-17 45 63.546 0.172954 -3.50137 63.546000 Cu 0.280855 0.551221 2.40449e-19 46 63.546 0.0217877 -3.53956 63.546000 Cu 0.219569 0.549314 0.5 48 63.546 0.0222698 -3.53362 63.546000 Cu 0.152462 0.56329 0.5 76 63.546 0.0109083 -3.53169 63.546000 Cu 0.213247 0.565004 1.99573e-17 77 63.546 0.00333928 -3.53609 63.546000 Cu 0.286913 0.535827 0.5 47 63.546 0.0876253 -3.5378 63.546000 Cu 0.350737 0.538275 1.99573e-17 49 63.546 0.0256045 -3.53457 63.546000 Cu 0.406744 0.555406 5.21775e-17 50 63.546 0.010932 -3.54211 63.546000 Cu 0.415511 0.540455 0.5 51 63.546 0.0189118 -3.53613 63.546000 Cu 0.343523 0.553278 0.5 52 63.546 0.0190879 -3.54229 63.546000 Cu 0.478894 0.542306 2.78921e-17 53 63.546 0.0350415 -3.53705 63.546000 Cu 0.530994 0.559566 2.47663e-17 54 63.546 0.0106557 -3.53416 63.546000 Cu 0.540724 0.544016 0.5 55 63.546 0.0476092 -3.52948 63.546000 Cu 0.469459 0.557524 0.5 56 63.546 0.00788584 -3.5384 63.546000 Cu 0.600342 0.545705 0 57 63.546 0.0319555 -3.52713 63.546000 Cu 0.652462 0.56329 3.84719e-18 58 63.546 0.0109083 -3.53169 63.546000 Cu 0.659528 0.54747 0.5 59 63.546 0.0327565 -3.52411 63.546000 Cu 0.591873 0.561498 0.5 60 63.546 0.0163869 -3.52881 63.546000 Cu 0.713247 0.565004 0.5 64 63.546 0.00333928 -3.53609 63.546000 Cu 0.786913 0.535827 1.2287e-16 30 63.546 0.0876253 -3.5378 63.546000 Cu 0.725328 0.533348 0.5 32 63.546 0.172954 -3.50137 63.546000 Cu 0.850737 0.538275 0.5 36 63.546 0.0256045 -3.53457 63.546000 Cu 0.719569 0.549314 1.99573e-17 61 63.546 0.0222698 -3.53362 63.546000 Cu 0.780855 0.551221 0.5 63 63.546 0.0217877 -3.53956 63.546000 Cu 0.843523 0.553278 8.30753e-17 65 63.546 0.0190879 -3.54229 63.546000 Cu 0.915511 0.540455 1.99573e-17 34 63.546 0.0189118 -3.53613 63.546000 Cu 0.978894 0.542306 0.5 40 63.546 0.0350415 -3.53705 63.546000 Cu 0.906744 0.555406 0.5 67 63.546 0.010932 -3.54211 63.546000 Cu 0.969459 0.557524 0 69 63.546 0.00788584 -3.5384 63.546000 Cu 0.0221127 0.574925 9.44966e-17 70 63.546 0.00233759 -3.53673 63.546000 Cu 0.0835998 0.576935 0.5 74 63.546 0.00441114 -3.53546 63.546000 Cu 0.0136734 0.590231 0.5 103 63.546 0.000642096 -3.53939 63.546000 Cu 0.0754412 0.592273 3.14989e-17 105 63.546 0.00125934 -3.53869 63.546000 Cu 0.137135 0.594201 0.5 108 63.546 0.00179723 -3.53891 63.546000 Cu 0.144918 0.5788 1.20225e-19 75 63.546 0.0037692 -3.53592 63.546000 Cu 0.267501 0.582282 2.40449e-19 78 63.546 0.000897411 -3.54051 63.546000 Cu 0.274494 0.566733 0.5 79 63.546 0.0042828 -3.54001 63.546000 Cu 0.206202 0.580559 0.5 80 63.546 0.00163781 -3.53838 63.546000 Cu 0.198662 0.59603 2.07989e-17 109 63.546 0.00130732 -3.53952 63.546000 Cu 0.260045 0.597827 0.5 111 63.546 0.000661009 -3.5399 63.546000 Cu 0.336263 0.568588 1.99573e-17 81 63.546 0.00991958 -3.54254 63.546000 Cu 0.390287 0.586042 1.99573e-17 82 63.546 0.00346209 -3.54139 63.546000 Cu 0.398314 0.570629 0.5 83 63.546 0.00720844 -3.54253 63.546000 Cu 0.328832 0.58409 0.5 84 63.546 0.00256212 -3.54144 63.546000 Cu 0.321283 0.599641 2.40449e-19 113 63.546 0.000349339 -3.54004 63.546000 Cu 0.460328 0.572788 2.40449e-19 85 63.546 0.00153747 -3.54003 63.546000 Cu 0.513673 0.590231 2.40449e-19 86 63.546 0.000642096 -3.53939 63.546000 Cu 0.522113 0.574925 0.5 87 63.546 0.00233759 -3.53673 63.546000 Cu 0.451908 0.588119 0.5 88 63.546 0.00191544 -3.54061 63.546000 Cu 0.5836 0.576935 8.01899e-17 89 63.546 0.00441114 -3.53546 63.546000 Cu 0.637135 0.594201 0 90 63.546 0.00179723 -3.53891 63.546000 Cu 0.644918 0.5788 0.5 91 63.546 0.0037692 -3.53592 63.546000 Cu 0.575441 0.592273 0.5 92 63.546 0.00125934 -3.53869 63.546000 Cu 0.706202 0.580559 2.94551e-17 93 63.546 0.00163781 -3.53838 63.546000 Cu 0.698662 0.59603 0.5 96 63.546 0.00130732 -3.53952 63.546000 Cu 0.774494 0.566733 1.03033e-16 62 63.546 0.0042828 -3.54001 63.546000 Cu 0.836263 0.568588 0.5 68 63.546 0.00991958 -3.54254 63.546000 Cu 0.760045 0.597827 1.20225e-19 94 63.546 0.000661009 -3.5399 63.546000 Cu 0.767501 0.582282 0.5 95 63.546 0.000897411 -3.54051 63.546000 Cu 0.828832 0.58409 2.40449e-19 97 63.546 0.00256212 -3.54144 63.546000 Cu 0.821283 0.599641 0.5 100 63.546 0.000349339 -3.54004 63.546000 Cu 0.898314 0.570629 0 66 63.546 0.00720844 -3.54253 63.546000 Cu 0.960328 0.572788 0.5 72 63.546 0.00153747 -3.54003 63.546000 Cu 0.890287 0.586042 0.5 99 63.546 0.00346209 -3.54139 63.546000 Cu 0.951908 0.588119 0 101 63.546 0.00191544 -3.54061 63.546000 Cu 0.00558831 0.605558 1.20345e-16 102 63.546 0.000927328 -3.54039 63.546000 Cu 0.0674 0.607578 0.5 106 63.546 0.000235512 -3.53991 63.546000 Cu 0.129214 0.609545 2.8373e-17 107 63.546 0.000445715 -3.53951 63.546000 Cu 0.0595351 0.622919 0 137 63.546 0.000219137 -3.5407 63.546000 Cu 0.121297 0.624885 0.5 140 63.546 7.54037e-05 -3.54002 63.546000 Cu 0.252347 0.613309 1.0676e-16 110 63.546 0.000638086 -3.53891 63.546000 Cu 0.19089 0.611451 0.5 112 63.546 0.000926308 -3.53914 63.546000 Cu 0.182987 0.626826 1.99573e-17 141 63.546 0.000218381 -3.53928 63.546000 Cu 0.244535 0.628744 0.5 143 63.546 0.000348641 -3.53904 63.546000 Cu 0.3749 0.617052 1.2287e-16 114 63.546 0.000184518 -3.53965 63.546000 Cu 0.382537 0.601538 0.5 115 63.546 0.0010991 -3.54046 63.546000 Cu 0.313645 0.615167 0.5 116 63.546 0.000189344 -3.53905 63.546000 Cu 0.305949 0.630643 2.40449e-19 145 63.546 0.000236455 -3.53913 63.546000 Cu 0.367291 0.632535 0.5 147 63.546 7.13553e-05 -3.53944 63.546000 Cu 0.443958 0.603527 2.40449e-19 117 63.546 0.00145212 -3.54062 63.546000 Cu 0.497821 0.620942 1.99573e-17 118 63.546 0.000554902 -3.54084 63.546000 Cu 0.505588 0.605558 0.5 119 63.546 0.000927328 -3.54039 63.546000 Cu 0.43625 0.618976 0.5 120 63.546 0.000638738 -3.54036 63.546000 Cu 0.5674 0.607578 1.54489e-16 121 63.546 0.000235512 -3.53991 63.546000 Cu 0.559535 0.622919 0.5 124 63.546 0.000219137 -3.5407 63.546000 Cu 0.621297 0.624885 1.99573e-17 122 63.546 7.54037e-05 -3.54002 63.546000 Cu 0.629214 0.609545 0.5 123 63.546 0.000445715 -3.53951 63.546000 Cu 0.69089 0.611451 0 125 63.546 0.000926308 -3.53914 63.546000 Cu 0.682987 0.626826 0.5 128 63.546 0.000218381 -3.53928 63.546000 Cu 0.744535 0.628744 0 126 63.546 0.000348641 -3.53904 63.546000 Cu 0.752347 0.613309 0.5 127 63.546 0.000638086 -3.53891 63.546000 Cu 0.813645 0.615167 2.40449e-19 129 63.546 0.000189344 -3.53905 63.546000 Cu 0.805949 0.630643 0.5 132 63.546 0.000236455 -3.53913 63.546000 Cu 0.882537 0.601538 1.99573e-17 98 63.546 0.0010991 -3.54046 63.546000 Cu 0.943958 0.603527 0.5 104 63.546 0.00145212 -3.54062 63.546000 Cu 0.867291 0.632535 1.05437e-16 130 63.546 7.13553e-05 -3.53944 63.546000 Cu 0.8749 0.617052 0.5 131 63.546 0.000184518 -3.53965 63.546000 Cu 0.93625 0.618976 2.64494e-17 133 63.546 0.000638738 -3.54036 63.546000 Cu 0.997821 0.620942 0.5 135 63.546 0.000554902 -3.54084 63.546000 Cu 0.113465 0.640251 0 138 63.546 8.72864e-05 -3.54046 63.546000 Cu 0.0517839 0.638298 0.5 139 63.546 0.000230672 -3.5407 63.546000 Cu 0.044122 0.65371 5.96315e-17 169 63.546 0.000104874 -3.54047 63.546000 Cu 0.105699 0.655646 0.5 171 63.546 9.81104e-05 -3.54043 63.546000 Cu 0.23669 0.644152 4.47236e-17 142 63.546 9.28811e-05 -3.53983 63.546000 Cu 0.175117 0.642205 0.5 144 63.546 4.10245e-05 -3.54011 63.546000 Cu 0.167291 0.6576 1.99573e-17 173 63.546 2.13216e-05 -3.54027 63.546000 Cu 0.228878 0.659553 0.5 175 63.546 2.42722e-05 -3.53998 63.546000 Cu 0.359652 0.647992 0 146 63.546 0.000121478 -3.53969 63.546000 Cu 0.298194 0.646081 0.5 148 63.546 0.000150608 -3.53971 63.546000 Cu 0.421093 0.64989 0.5 152 63.546 3.26736e-05 -3.53984 63.546000 Cu 0.290433 0.661495 2.40449e-19 177 63.546 8.34161e-05 -3.53973 63.546000 Cu 0.351969 0.663415 0.5 179 63.546 7.91675e-05 -3.53956 63.546000 Cu 0.413482 0.665321 8.48787e-17 181 63.546 3.32859e-05 -3.53968 63.546000 Cu 0.428687 0.634439 3.39034e-17 149 63.546 9.73919e-05 -3.54001 63.546000 Cu 0.482584 0.651793 1.13973e-16 150 63.546 3.46103e-05 -3.54019 63.546000 Cu 0.490163 0.636358 0.5 151 63.546 0.000279392 -3.54049 63.546000 Cu 0.551784 0.638298 2.70506e-17 153 63.546 0.000230672 -3.5407 63.546000 Cu 0.544122 0.65371 0.5 156 63.546 0.000104874 -3.54047 63.546000 Cu 0.605699 0.655646 1.99573e-17 154 63.546 9.81104e-05 -3.54043 63.546000 Cu 0.613465 0.640251 0.5 155 63.546 8.72864e-05 -3.54046 63.546000 Cu 0.675117 0.642205 2.40449e-19 157 63.546 4.10245e-05 -3.54011 63.546000 Cu 0.667291 0.6576 0.5 160 63.546 2.13216e-05 -3.54027 63.546000 Cu 0.728878 0.659553 1.19022e-17 158 63.546 2.42722e-05 -3.53998 63.546000 Cu 0.73669 0.644152 0.5 159 63.546 9.28811e-05 -3.53983 63.546000 Cu 0.798194 0.646081 3.89528e-17 161 63.546 0.000150608 -3.53971 63.546000 Cu 0.851969 0.663415 9.97865e-18 162 63.546 7.91675e-05 -3.53956 63.546000 Cu 0.790433 0.661495 0.5 164 63.546 8.34161e-05 -3.53973 63.546000 Cu 0.990163 0.636358 7.22551e-17 134 63.546 0.000279392 -3.54049 63.546000 Cu 0.928687 0.634439 0.5 136 63.546 9.73919e-05 -3.54001 63.546000 Cu 0.859652 0.647992 0.5 163 63.546 0.000121478 -3.53969 63.546000 Cu 0.921093 0.64989 1.21547e-16 165 63.546 3.26736e-05 -3.53984 63.546000 Cu 0.982584 0.651793 0.5 167 63.546 3.46103e-05 -3.54019 63.546000 Cu 0.913482 0.665321 0.5 168 63.546 3.32859e-05 -3.53968 63.546000 Cu 0.0979961 0.671063 1.22749e-16 170 63.546 3.94308e-05 -3.54028 63.546000 Cu 0.0364798 0.669136 0.5 172 63.546 2.25059e-05 -3.54012 63.546000 Cu 0.0288271 0.684562 5.30191e-17 201 63.546 4.94991e-06 -3.53997 63.546000 Cu 0.0903178 0.686484 0.5 203 63.546 1.60868e-05 -3.54014 63.546000 Cu 0.0211667 0.699977 0.5 204 63.546 1.40221e-05 -3.53978 63.546000 Cu 0.22111 0.674948 1.99573e-17 174 63.546 1.91022e-05 -3.54013 63.546000 Cu 0.159532 0.673002 0.5 176 63.546 4.78515e-05 -3.54026 63.546000 Cu 0.282703 0.676889 0.5 180 63.546 1.1021e-05 -3.53993 63.546000 Cu 0.151846 0.688414 0 205 63.546 2.14392e-05 -3.54029 63.546000 Cu 0.213405 0.690348 0.5 207 63.546 1.49223e-05 -3.54037 63.546000 Cu 0.27499 0.692283 1.99573e-17 209 63.546 3.7218e-06 -3.54031 63.546000 Cu 0.344286 0.678817 2.40449e-19 178 63.546 3.04349e-05 -3.53987 63.546000 Cu 0.405832 0.680735 0.5 184 63.546 3.39125e-05 -3.53985 63.546000 Cu 0.33657 0.694214 0.5 211 63.546 8.20606e-06 -3.54021 63.546000 Cu 0.398131 0.696139 1.20225e-19 213 63.546 2.20972e-05 -3.54004 63.546000 Cu 0.467338 0.682647 6.05933e-17 182 63.546 1.44809e-05 -3.53989 63.546000 Cu 0.474988 0.667224 0.5 183 63.546 1.26278e-05 -3.53992 63.546000 Cu 0.53648 0.669136 0 185 63.546 2.25059e-05 -3.54012 63.546000 Cu 0.528827 0.684562 0.5 188 63.546 4.94991e-06 -3.53997 63.546000 Cu 0.459658 0.69806 0.5 215 63.546 2.20051e-05 -3.53989 63.546000 Cu 0.521167 0.699977 2.40449e-19 217 63.546 1.40221e-05 -3.53978 63.546000 Cu 0.590318 0.686484 1.52685e-17 186 63.546 1.60868e-05 -3.54014 63.546000 Cu 0.597996 0.671063 0.5 187 63.546 3.94308e-05 -3.54028 63.546000 Cu 0.659532 0.673002 5.08551e-17 189 63.546 4.78515e-05 -3.54026 63.546000 Cu 0.713405 0.690348 4.01551e-17 190 63.546 1.49223e-05 -3.54037 63.546000 Cu 0.651846 0.688414 0.5 192 63.546 2.14392e-05 -3.54029 63.546000 Cu 0.72111 0.674948 0.5 191 63.546 1.91022e-05 -3.54013 63.546000 Cu 0.782703 0.676889 1.99573e-17 193 63.546 1.1021e-05 -3.53993 63.546000 Cu 0.83657 0.694214 2.40449e-19 194 63.546 8.20606e-06 -3.54021 63.546000 Cu 0.844286 0.678817 0.5 195 63.546 3.04349e-05 -3.53987 63.546000 Cu 0.77499 0.692283 0.5 196 63.546 3.7218e-06 -3.54031 63.546000 Cu 0.974988 0.667224 1.99573e-17 166 63.546 1.26278e-05 -3.53992 63.546000 Cu 0.905832 0.680735 6.49213e-18 197 63.546 3.39125e-05 -3.53985 63.546000 Cu 0.959658 0.69806 0 198 63.546 2.20051e-05 -3.53989 63.546000 Cu 0.967338 0.682647 0.5 199 63.546 1.44809e-05 -3.53989 63.546000 Cu 0.898131 0.696139 0.5 200 63.546 2.20972e-05 -3.54004 63.546000 Cu 0.0826703 0.701897 1.65189e-16 202 63.546 8.90389e-06 -3.53979 63.546000 Cu 0.0134903 0.715378 5.90303e-17 233 63.546 1.03762e-05 -3.53988 63.546000 Cu 0.0673279 0.73269 1.99573e-17 234 63.546 5.8821e-06 -3.5399 63.546000 Cu 0.0750153 0.717297 0.5 235 63.546 5.85138e-06 -3.53984 63.546000 Cu 0.00578972 0.730769 0.5 236 63.546 5.58737e-06 -3.53988 63.546000 Cu 0.136536 0.719216 0 237 63.546 2.20716e-06 -3.53979 63.546000 Cu 0.205729 0.705747 1.99573e-17 206 63.546 1.0269e-05 -3.5399 63.546000 Cu 0.144192 0.70382 0.5 208 63.546 8.81628e-06 -3.53985 63.546000 Cu 0.267284 0.707676 0.5 212 63.546 7.45019e-06 -3.53995 63.546000 Cu 0.198061 0.721138 0.5 239 63.546 2.46889e-06 -3.53975 63.546000 Cu 0.259595 0.723064 2.40449e-19 241 63.546 3.30109e-06 -3.53975 63.546000 Cu 0.328845 0.709606 2.40449e-19 210 63.546 5.3584e-06 -3.53996 63.546000 Cu 0.390405 0.711534 0.5 216 63.546 7.26123e-06 -3.53994 63.546000 Cu 0.321141 0.724992 0.5 243 63.546 2.46023e-06 -3.53977 63.546000 Cu 0.382692 0.72692 1.99573e-17 245 63.546 2.02577e-06 -3.53981 63.546000 Cu 0.451954 0.713457 6.85281e-18 214 63.546 1.00341e-05 -3.5399 63.546000 Cu 0.51349 0.715378 0.5 220 63.546 1.03762e-05 -3.53988 63.546000 Cu 0.444244 0.728846 0.5 247 63.546 3.38399e-06 -3.53985 63.546000 Cu 0.50579 0.730769 1.99573e-17 249 63.546 5.58737e-06 -3.53988 63.546000 Cu 0.567328 0.73269 0.5 251 63.546 5.8821e-06 -3.5399 63.546000 Cu 0.575015 0.717297 2.40449e-19 218 63.546 5.85138e-06 -3.53984 63.546000 Cu 0.58267 0.701897 0.5 219 63.546 8.90389e-06 -3.53979 63.546000 Cu 0.644192 0.70382 4.35213e-17 221 63.546 8.81628e-06 -3.53985 63.546000 Cu 0.698061 0.721138 1.03393e-17 222 63.546 2.46889e-06 -3.53975 63.546000 Cu 0.705729 0.705747 0.5 223 63.546 1.0269e-05 -3.5399 63.546000 Cu 0.636536 0.719216 0.5 224 63.546 2.20716e-06 -3.53979 63.546000 Cu 0.767284 0.707676 2.40449e-19 225 63.546 7.45019e-06 -3.53995 63.546000 Cu 0.821141 0.724992 0 226 63.546 2.46023e-06 -3.53977 63.546000 Cu 0.828845 0.709606 0.5 227 63.546 5.3584e-06 -3.53996 63.546000 Cu 0.759595 0.723064 0.5 228 63.546 3.30109e-06 -3.53975 63.546000 Cu 0.890405 0.711534 6.72056e-17 229 63.546 7.26123e-06 -3.53994 63.546000 Cu 0.944244 0.728846 1.97048e-16 230 63.546 3.38399e-06 -3.53985 63.546000 Cu 0.951954 0.713457 0.5 231 63.546 1.00341e-05 -3.5399 63.546000 Cu 0.882692 0.72692 0.5 232 63.546 2.02577e-06 -3.53981 63.546000 Cu 0.128859 0.73461 0.5 240 63.546 3.17134e-06 -3.53992 63.546000 Cu 0.0519225 0.763456 1.99573e-17 266 63.546 1.85309e-06 -3.53966 63.546000 Cu 0.0596269 0.748075 0.5 267 63.546 9.36151e-07 -3.5397 63.546000 Cu 0.113468 0.765381 0.5 269 63.546 1.36688e-06 -3.53974 63.546000 Cu 0.121166 0.749997 1.34652e-17 270 63.546 1.81068e-06 -3.53979 63.546000 Cu 0.190387 0.73653 0 238 63.546 6.10141e-07 -3.53993 63.546000 Cu 0.251918 0.738453 0.5 244 63.546 7.78542e-07 -3.53992 63.546000 Cu 0.182704 0.75192 0.5 272 63.546 1.53561e-06 -3.53991 63.546000 Cu 0.244241 0.753843 5.69865e-17 273 63.546 4.32899e-07 -3.54 63.546000 Cu 0.313456 0.740378 4.80899e-19 242 63.546 1.78455e-06 -3.53988 63.546000 Cu 0.374998 0.742303 0.5 248 63.546 1.79434e-06 -3.5398 63.546000 Cu 0.305777 0.755767 0.5 275 63.546 9.16904e-07 -3.54001 63.546000 Cu 0.367311 0.75769 2.40449e-19 277 63.546 3.09409e-06 -3.53992 63.546000 Cu 0.436542 0.744228 1.99573e-17 246 63.546 7.11598e-07 -3.53972 63.546000 Cu 0.559627 0.748075 1.20225e-19 250 63.546 9.36151e-07 -3.5397 63.546000 Cu 0.498086 0.746152 0.5 252 63.546 1.69744e-07 -3.53967 63.546000 Cu 0.428845 0.759612 0.5 279 63.546 4.48071e-06 -3.53979 63.546000 Cu 0.490381 0.761533 5.08551e-17 281 63.546 3.91477e-06 -3.53968 63.546000 Cu 0.551923 0.763456 0.5 283 63.546 1.85309e-06 -3.53966 63.546000 Cu 0.628859 0.73461 1.75528e-17 253 63.546 3.17134e-06 -3.53992 63.546000 Cu 0.682704 0.75192 8.76438e-17 254 63.546 1.53561e-06 -3.53991 63.546000 Cu 0.690387 0.73653 0.5 255 63.546 6.10141e-07 -3.53993 63.546000 Cu 0.621166 0.749997 0.5 256 63.546 1.81068e-06 -3.53979 63.546000 Cu 0.613468 0.765381 1.99573e-17 285 63.546 1.36688e-06 -3.53974 63.546000 Cu 0.751918 0.738453 1.99573e-17 257 63.546 7.78542e-07 -3.53992 63.546000 Cu 0.805777 0.755767 5.57843e-17 258 63.546 9.16904e-07 -3.54001 63.546000 Cu 0.813456 0.740378 0.5 259 63.546 1.78455e-06 -3.53988 63.546000 Cu 0.744241 0.753843 0.5 260 63.546 4.32899e-07 -3.54 63.546000 Cu 0.874998 0.742303 1.20225e-19 261 63.546 1.79434e-06 -3.5398 63.546000 Cu 0.928845 0.759612 2.68101e-17 262 63.546 4.48071e-06 -3.53979 63.546000 Cu 0.936542 0.744228 0.5 263 63.546 7.11598e-07 -3.53972 63.546000 Cu 0.867311 0.75769 0.5 264 63.546 3.09409e-06 -3.53992 63.546000 Cu 0.998086 0.746152 0 265 63.546 1.69744e-07 -3.53967 63.546000 Cu 0.990381 0.761533 0.5 268 63.546 3.91477e-06 -3.53968 63.546000 Cu 0.036512 0.794243 1.99573e-17 298 63.546 2.3391e-05 -3.54005 63.546000 Cu 0.0442143 0.778842 0.5 299 63.546 1.49947e-05 -3.53983 63.546000 Cu 0.105762 0.780766 0 301 63.546 9.44787e-06 -3.53984 63.546000 Cu 0.0980443 0.796162 0.5 302 63.546 2.35113e-05 -3.54012 63.546000 Cu 0.175017 0.767308 0 271 63.546 2.18472e-06 -3.53986 63.546000 Cu 0.236564 0.769235 0.5 276 63.546 2.40233e-06 -3.53995 63.546000 Cu 0.159602 0.798085 1.99573e-17 303 63.546 1.66847e-05 -3.54014 63.546000 Cu 0.167321 0.782694 0.5 304 63.546 4.40785e-06 -3.53986 63.546000 Cu 0.228883 0.784625 2.40449e-19 305 63.546 4.98207e-06 -3.53983 63.546000 Cu 0.298103 0.771161 5.27787e-17 274 63.546 1.55245e-06 -3.53997 63.546000 Cu 0.421156 0.775003 1.13372e-16 278 63.546 7.01168e-06 -3.53986 63.546000 Cu 0.359632 0.773083 0.5 280 63.546 2.19345e-06 -3.53992 63.546000 Cu 0.290435 0.786555 0.5 307 63.546 6.62555e-06 -3.53978 63.546000 Cu 0.351971 0.788482 0 309 63.546 6.71685e-06 -3.53974 63.546000 Cu 0.413488 0.790405 0.5 311 63.546 8.8622e-06 -3.53979 63.546000 Cu 0.544214 0.778842 4.91719e-17 282 63.546 1.49947e-05 -3.53983 63.546000 Cu 0.482681 0.776922 0.5 284 63.546 1.29221e-05 -3.53983 63.546000 Cu 0.474998 0.792324 2.40449e-19 313 63.546 1.65189e-05 -3.53992 63.546000 Cu 0.536512 0.794243 0.5 315 63.546 2.3391e-05 -3.54005 63.546000 Cu 0.667321 0.782694 6.26371e-17 286 63.546 4.40785e-06 -3.53986 63.546000 Cu 0.675017 0.767308 0.5 287 63.546 2.18472e-06 -3.53986 63.546000 Cu 0.605762 0.780766 0.5 288 63.546 9.44787e-06 -3.53984 63.546000 Cu 0.598044 0.796162 3.60674e-19 317 63.546 2.35113e-05 -3.54012 63.546000 Cu 0.659602 0.798085 0.5 319 63.546 1.66847e-05 -3.54014 63.546000 Cu 0.736564 0.769235 1.20225e-19 289 63.546 2.40233e-06 -3.53995 63.546000 Cu 0.790435 0.786555 0 290 63.546 6.62555e-06 -3.53978 63.546000 Cu 0.798103 0.771161 0.5 291 63.546 1.55245e-06 -3.53997 63.546000 Cu 0.728883 0.784625 0.5 292 63.546 4.98207e-06 -3.53983 63.546000 Cu 0.851971 0.788482 0.5 296 63.546 6.71685e-06 -3.53974 63.546000 Cu 0.859632 0.773083 0 293 63.546 2.19345e-06 -3.53992 63.546000 Cu 0.913488 0.790405 1.07601e-16 294 63.546 8.8622e-06 -3.53979 63.546000 Cu 0.921156 0.775003 0.5 295 63.546 7.01168e-06 -3.53986 63.546000 Cu 0.982681 0.776922 0 297 63.546 1.29221e-05 -3.53983 63.546000 Cu 0.974998 0.792324 0.5 300 63.546 1.65189e-05 -3.53992 63.546000 Cu 0.02121 0.825087 0 330 63.546 1.38784e-05 -3.53985 63.546000 Cu 0.028835 0.80966 0.5 331 63.546 2.04389e-05 -3.53996 63.546000 Cu 0.0903465 0.811572 1.3934e-16 333 63.546 3.53699e-05 -3.53994 63.546000 Cu 0.0827056 0.82699 0.5 334 63.546 4.25964e-05 -3.5396 63.546000 Cu 0.221184 0.800015 0.5 308 63.546 8.58463e-06 -3.54011 63.546000 Cu 0.282763 0.80195 1.99573e-17 306 63.546 1.69878e-05 -3.54008 63.546000 Cu 0.144228 0.828894 4.44831e-17 335 63.546 7.48701e-05 -3.53948 63.546000 Cu 0.151891 0.813487 0.5 336 63.546 3.17907e-05 -3.53998 63.546000 Cu 0.213466 0.815412 2.09191e-17 337 63.546 1.8256e-05 -3.54013 63.546000 Cu 0.267326 0.832752 2.40449e-19 338 63.546 2.38463e-05 -3.53975 63.546000 Cu 0.275061 0.81735 0.5 339 63.546 1.12781e-05 -3.54028 63.546000 Cu 0.205767 0.830814 0.5 340 63.546 7.11341e-05 -3.53954 63.546000 Cu 0.405848 0.805818 5.30191e-17 310 63.546 1.73251e-05 -3.54007 63.546000 Cu 0.344323 0.803885 0.5 312 63.546 2.66624e-05 -3.54007 63.546000 Cu 0.336645 0.819297 2.40449e-19 341 63.546 3.50699e-05 -3.54047 63.546000 Cu 0.398195 0.821242 0.5 343 63.546 4.69588e-05 -3.54046 63.546000 Cu 0.528835 0.80966 2.40449e-19 314 63.546 2.04389e-05 -3.53996 63.546000 Cu 0.467347 0.807743 0.5 316 63.546 7.46815e-06 -3.54005 63.546000 Cu 0.459711 0.823173 8.60809e-17 345 63.546 2.88443e-05 -3.54021 63.546000 Cu 0.52121 0.825087 0.5 347 63.546 1.38784e-05 -3.53985 63.546000 Cu 0.651891 0.813487 3.85921e-17 318 63.546 3.17907e-05 -3.53998 63.546000 Cu 0.590346 0.811572 0.5 320 63.546 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63.546000 Cu 0.00610927 0.855955 3.06573e-17 362 63.546 0.000237133 -3.54066 63.546000 Cu 0.0136369 0.840521 0.5 363 63.546 5.6116e-05 -3.54017 63.546000 Cu 0.0751397 0.842424 0 365 63.546 3.83827e-05 -3.54005 63.546000 Cu 0.0676438 0.85788 0.5 366 63.546 0.000142973 -3.54038 63.546000 Cu 0.129055 0.859791 9.95461e-17 367 63.546 7.50386e-05 -3.53987 63.546000 Cu 0.136615 0.844322 0.5 368 63.546 0.000142268 -3.53991 63.546000 Cu 0.198071 0.846231 9.64202e-17 369 63.546 0.000197976 -3.53955 63.546000 Cu 0.251805 0.863584 1.20225e-19 370 63.546 0.00041698 -3.53965 63.546000 Cu 0.259564 0.848157 0.5 371 63.546 0.000137034 -3.53965 63.546000 Cu 0.190415 0.861686 0.5 372 63.546 0.000205686 -3.53962 63.546000 Cu 0.390505 0.83666 1.99573e-17 342 63.546 8.62945e-05 -3.54032 63.546000 Cu 0.328897 0.834704 0.5 344 63.546 8.5856e-06 -3.54008 63.546000 Cu 0.32113 0.850102 1.99573e-17 373 63.546 4.9105e-05 -3.54004 63.546000 Cu 0.382769 0.852055 0.5 375 63.546 5.80534e-05 -3.5405 63.546000 Cu 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63.546000 Cu 0.813348 0.865498 6.48011e-17 389 63.546 0.000307698 -3.53996 63.546000 Cu 0.882769 0.852055 0 358 63.546 5.80534e-05 -3.5405 63.546000 Cu 0.890505 0.83666 0.5 359 63.546 8.62945e-05 -3.54032 63.546000 Cu 0.952084 0.838601 1.6591e-17 361 63.546 0.000118875 -3.54032 63.546000 Cu 0.944465 0.854011 0.5 364 63.546 0.000172867 -3.54066 63.546000 Cu 0.0601991 0.873339 1.99573e-17 397 63.546 0.000658143 -3.53993 63.546000 Cu 0.114149 0.890784 0 398 63.546 0.00126964 -3.54017 63.546000 Cu 0.0526587 0.888774 0.5 399 63.546 0.00127832 -3.54036 63.546000 Cu 0.121583 0.875279 0.5 400 63.546 0.000231404 -3.53922 63.546000 Cu 0.182856 0.877179 1.22749e-16 401 63.546 0.000168819 -3.539 63.546000 Cu 0.236723 0.89453 1.99573e-17 402 63.546 0.000809813 -3.53965 63.546000 Cu 0.24416 0.879041 0.5 403 63.546 0.00064286 -3.53912 63.546000 Cu 0.175428 0.892704 0.5 404 63.546 0.000612265 -3.5399 63.546000 Cu 0.375035 0.867433 0 374 63.546 0.000125188 -3.54033 63.546000 Cu 0.305618 0.880893 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-3.53912 63.546000 Cu 0.805618 0.880893 0.5 392 63.546 0.00104082 -3.53928 63.546000 Cu 0.736723 0.89453 0.5 419 63.546 0.000809813 -3.53965 63.546000 Cu 0.798127 0.896318 7.21348e-17 421 63.546 0.00143614 -3.53895 63.546000 Cu 0.867306 0.882781 1.99573e-17 390 63.546 0.000540089 -3.53914 63.546000 Cu 0.875035 0.867433 0.5 391 63.546 0.000125188 -3.54033 63.546000 Cu 0.936826 0.86939 0 393 63.546 0.000154198 -3.54057 63.546000 Cu 0.990984 0.886734 1.99573e-17 394 63.546 0.000758267 -3.54019 63.546000 Cu 0.998575 0.871366 0.5 395 63.546 0.000458765 -3.54046 63.546000 Cu 0.929125 0.884726 0.5 396 63.546 0.000210137 -3.53956 63.546000 Cu 0.859682 0.898125 0.5 423 63.546 0.00205413 -3.53832 63.546000 Cu 0.0448489 0.904177 1.5509e-17 429 63.546 0.00140723 -3.54077 63.546000 Cu 0.0987012 0.921665 7.68236e-17 430 63.546 0.00709726 -3.54289 63.546000 Cu 0.10656 0.906273 0.5 431 63.546 0.00361868 -3.54213 63.546000 Cu 0.0365836 0.919509 0.5 432 63.546 0.00143909 -3.53945 63.546000 Cu 0.16818 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-3.22089 63.546000 Cu 0.00225246 0.996306 1.99573e-17 520 63.546 0.0827325 -3.5343 63.546000 Cu 0.249132 0.996087 0.5 531 63.546 8.29175 -3.54375 63.546000 Cu 0.196218 0.986006 1.99573e-17 498 63.546 9.13757 -3.3207 63.546000 Cu 0.205218 0.971457 0.5 499 63.546 0.974681 -3.45034 63.546000 Cu 0.266839 0.975738 4.80899e-19 501 63.546 1.05986 -3.41843 63.546000 Cu 0.312075 0.996288 0 530 63.546 2.19976 -3.51421 63.546000 Cu 0.377233 0.996267 0.5 532 63.546 0.348519 -3.52117 63.546000 Cu 0.321669 0.979301 0.5 503 63.546 0.502981 -3.46911 63.546000 Cu 0.381218 0.979952 8.13921e-17 505 63.546 0.178441 -3.51796 63.546000 Cu 0.440123 0.99628 1.2287e-16 506 63.546 0.118012 -3.53437 63.546000 Cu 0.442476 0.980431 0.5 507 63.546 0.0872185 -3.53047 63.546000 Cu 0.504043 0.980727 1.20225e-19 509 63.546 0.111549 -3.53172 63.546000 Cu 0.563478 0.996289 2.40449e-19 510 63.546 0.410315 -3.49944 63.546000 Cu 0.566227 0.981067 0.5 511 63.546 0.319188 -3.50596 63.546000 Cu 0.502252 0.996306 0.5 512 63.546 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