Number of particles = 896 A = 1 Angstrom (basic length-scale) H0(1,1) = 38.4567 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 76.8623 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60338 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 0.0261945 0.0209792 0 585 63.546 0.00181959 -3.53698 63.546000 Cu 0.0926909 0.0213157 0 586 63.546 0.00298886 -3.53454 63.546000 Cu 0.0616087 0.00433903 0.5 587 63.546 0.00750751 -3.53657 63.546000 Cu 0.0571529 0.0379242 0.5 588 63.546 0.00094707 -3.53692 63.546000 Cu 0.128132 0.0045931 0.5 589 63.546 0.00948015 -3.53125 63.546000 Cu 0.123471 0.0385599 0.5 633 63.546 0.00736629 -3.53478 63.546000 Cu 0.15884 0.0220276 0 635 63.546 0.0197105 -3.53023 63.546000 Cu 0.194326 0.00538349 0.5 637 63.546 0.07442 -3.52507 63.546000 Cu 0.189268 0.0401062 0.5 638 63.546 0.03385 -3.53442 63.546000 Cu 0.224165 0.0242398 1.04708e-16 636 63.546 0.0727864 -3.52626 63.546000 Cu 0.259263 0.00902453 0.5 639 63.546 0.222763 -3.51478 63.546000 Cu 0.254733 0.0437803 0.5 691 63.546 0.032611 -3.53246 63.546000 Cu 0.289277 0.0293171 0 693 63.546 0.0930316 -3.52606 63.546000 Cu 0.324929 0.0170516 0.5 695 63.546 0.525391 -3.47403 63.546000 Cu 0.320904 0.0494908 0.5 696 63.546 0.0970924 -3.51877 63.546000 Cu 0.361427 0.00303902 0 455 63.546 0.460269 -3.49621 63.546000 Cu 0.428367 0.00387874 0 456 63.546 0.0109952 -3.53863 63.546000 Cu 0.392717 0.0198974 0.5 457 63.546 0.0359609 -3.53445 63.546000 Cu 0.388026 0.0524978 0.5 459 63.546 0.0233653 -3.53371 63.546000 Cu 0.423802 0.0367817 0 461 63.546 0.00815844 -3.53738 63.546000 Cu 0.356568 0.035147 0 694 63.546 0.12264 -3.52225 63.546000 Cu 0.490598 0.0374535 0 462 63.546 0.00113943 -3.53821 63.546000 Cu 0.459539 0.0206181 0.5 463 63.546 0.00295832 -3.53926 63.546000 Cu 0.495031 0.0041596 0 465 63.546 0.00827462 -3.53894 63.546000 Cu 0.526194 0.0209792 0.5 467 63.546 0.00181959 -3.53698 63.546000 Cu 0.561609 0.00433903 1.2228e-16 466 63.546 0.00750751 -3.53657 63.546000 Cu 0.557153 0.0379242 0 479 63.546 0.00094707 -3.53692 63.546000 Cu 0.623471 0.0385599 4.54938e-17 480 63.546 0.00736629 -3.53478 63.546000 Cu 0.592691 0.0213157 0.5 481 63.546 0.00298886 -3.53454 63.546000 Cu 0.628132 0.0045931 5.65663e-17 483 63.546 0.00948015 -3.53125 63.546000 Cu 0.65884 0.0220276 0.5 485 63.546 0.0197105 -3.53023 63.546000 Cu 0.694326 0.00538349 1.13855e-16 484 63.546 0.07442 -3.52507 63.546000 Cu 0.689268 0.0401062 1 505 63.546 0.03385 -3.53442 63.546000 Cu 0.754733 0.0437803 0 506 63.546 0.032611 -3.53246 63.546000 Cu 0.724165 0.0242398 0.5 507 63.546 0.0727864 -3.52626 63.546000 Cu 0.759263 0.00902453 0 509 63.546 0.222763 -3.51478 63.546000 Cu 0.824929 0.0170516 1.2228e-16 510 63.546 0.525391 -3.47403 63.546000 Cu 0.789277 0.0293171 0.5 511 63.546 0.0930316 -3.52606 63.546000 Cu 0.861427 0.00303902 0.5 512 63.546 0.460269 -3.49621 63.546000 Cu 0.820904 0.0494908 0 539 63.546 0.0970924 -3.51877 63.546000 Cu 0.888026 0.0524978 1.37444e-16 540 63.546 0.0233653 -3.53371 63.546000 Cu 0.856568 0.035147 0.5 541 63.546 0.12264 -3.52225 63.546000 Cu 0.892717 0.0198974 1 543 63.546 0.0359609 -3.53445 63.546000 Cu 0.959539 0.0206181 0 544 63.546 0.00295832 -3.53926 63.546000 Cu 0.928367 0.00387874 0.5 545 63.546 0.0109952 -3.53863 63.546000 Cu 0.923802 0.0367817 0.5 546 63.546 0.00815844 -3.53738 63.546000 Cu 0.995031 0.0041596 0.5 547 63.546 0.00827462 -3.53894 63.546000 Cu 0.990598 0.0374535 0.5 583 63.546 0.00113943 -3.53821 63.546000 Cu 0.0215931 0.0544069 5.72885e-17 582 63.546 0.000679704 -3.53792 63.546000 Cu 0.0169798 0.0877967 1.2252e-16 627 63.546 0.00053727 -3.53883 63.546000 Cu 0.0833897 0.0887032 2.40708e-19 628 63.546 0.00219295 -3.53782 63.546000 Cu 0.0525475 0.0714695 0.5 629 63.546 0.000806453 -3.53753 63.546000 Cu 0.0880453 0.0550663 4.81416e-19 631 63.546 0.00240621 -3.53678 63.546000 Cu 0.0478952 0.104963 0.5 630 63.546 0.00058903 -3.53857 63.546000 Cu 0.118815 0.0724247 0.5 634 63.546 0.00645838 -3.53721 63.546000 Cu 0.154121 0.0562092 0 632 63.546 0.0144813 -3.53637 63.546000 Cu 0.149547 0.0901208 0 685 63.546 0.0108847 -3.53879 63.546000 Cu 0.215414 0.0927566 0 686 63.546 0.0129207 -3.53937 63.546000 Cu 0.184774 0.0742761 0.5 687 63.546 0.0196861 -3.53883 63.546000 Cu 0.219828 0.0587494 0 689 63.546 0.0293143 -3.53635 63.546000 Cu 0.285558 0.0632357 0 690 63.546 0.0129896 -3.53647 63.546000 Cu 0.250535 0.0777646 0.5 692 63.546 0.0102673 -3.53776 63.546000 Cu 0.281406 0.0966904 0 747 63.546 0.00362312 -3.53725 63.546000 Cu 0.316757 0.0823058 0.5 749 63.546 0.0270039 -3.5303 63.546000 Cu 0.419247 0.0696864 0 458 63.546 0.00801016 -3.53756 63.546000 Cu 0.383585 0.0852598 0.5 460 63.546 0.0140221 -3.5351 63.546000 Cu 0.414684 0.102645 0 471 63.546 0.00609389 -3.53786 63.546000 Cu 0.347965 0.100435 6.71575e-17 748 63.546 0.0173918 -3.53398 63.546000 Cu 0.352356 0.0676684 0 751 63.546 0.0424454 -3.52856 63.546000 Cu 0.450351 0.0868207 0.5 473 63.546 0.00314244 -3.53861 63.546000 Cu 0.454907 0.053711 0.5 464 63.546 0.00263224 -3.53856 63.546000 Cu 0.481339 0.103953 9.5561e-17 472 63.546 0.000950012 -3.53911 63.546000 Cu 0.485994 0.0706984 4.81416e-19 475 63.546 0.000921249 -3.53899 63.546000 Cu 0.552547 0.0714695 0 476 63.546 0.000806453 -3.53753 63.546000 Cu 0.521593 0.0544069 0.5 477 63.546 0.000679704 -3.53792 63.546000 Cu 0.51698 0.0877967 0.5 478 63.546 0.00053727 -3.53883 63.546000 Cu 0.547895 0.104963 0 497 63.546 0.00058903 -3.53857 63.546000 Cu 0.588045 0.0550663 0.5 482 63.546 0.00240621 -3.53678 63.546000 Cu 0.58339 0.0887032 0.5 499 63.546 0.00219295 -3.53782 63.546000 Cu 0.618815 0.0724247 0 501 63.546 0.00645838 -3.53721 63.546000 Cu 0.654121 0.0562092 0.5 503 63.546 0.0144813 -3.53637 63.546000 Cu 0.649547 0.0901208 0.5 504 63.546 0.0108847 -3.53879 63.546000 Cu 0.684774 0.0742761 2.54669e-16 502 63.546 0.0196861 -3.53883 63.546000 Cu 0.719828 0.0587494 0.5 508 63.546 0.0293143 -3.53635 63.546000 Cu 0.715414 0.0927566 0.5 533 63.546 0.0129207 -3.53937 63.546000 Cu 0.750535 0.0777646 0 535 63.546 0.0102673 -3.53776 63.546000 Cu 0.785558 0.0632357 0.5 537 63.546 0.0129896 -3.53647 63.546000 Cu 0.781406 0.0966904 0.5 538 63.546 0.00362312 -3.53725 63.546000 Cu 0.816757 0.0823058 0 536 63.546 0.0270039 -3.5303 63.546000 Cu 0.852356 0.0676684 0.5 542 63.546 0.0424454 -3.52856 63.546000 Cu 0.847965 0.100435 0.5 575 63.546 0.0173918 -3.53398 63.546000 Cu 0.883585 0.0852598 1.2228e-16 577 63.546 0.0140221 -3.5351 63.546000 Cu 0.950351 0.0868207 2.79702e-16 578 63.546 0.00314244 -3.53861 63.546000 Cu 0.919247 0.0696864 0.5 579 63.546 0.00801016 -3.53756 63.546000 Cu 0.914684 0.102645 0.5 580 63.546 0.00609389 -3.53786 63.546000 Cu 0.954907 0.053711 0 581 63.546 0.00263224 -3.53856 63.546000 Cu 0.985994 0.0706984 0.5 584 63.546 0.000921249 -3.53899 63.546000 Cu 0.981339 0.103953 0.5 625 63.546 0.000950012 -3.53911 63.546000 Cu 0.0123578 0.121147 0 624 63.546 0.000355893 -3.53907 63.546000 Cu 0.0743619 0.155715 1 678 63.546 0.00166188 -3.53955 63.546000 Cu 0.0433526 0.138385 0.5 679 63.546 0.000348916 -3.53887 63.546000 Cu 0.0787971 0.122263 0 681 63.546 0.00178594 -3.53881 63.546000 Cu 0.109745 0.139729 0.5 684 63.546 0.00449504 -3.53958 63.546000 Cu 0.00786739 0.154457 1 677 63.546 0.000146024 -3.53915 63.546000 Cu 0.114206 0.106141 0.5 683 63.546 0.00534197 -3.53887 63.546000 Cu 0.145031 0.123844 1 682 63.546 0.00827589 -3.53982 63.546000 Cu 0.180257 0.108158 0.5 688 63.546 0.0113543 -3.53949 63.546000 Cu 0.175908 0.141847 0.5 741 63.546 0.00660974 -3.54027 63.546000 Cu 0.211065 0.126474 0 743 63.546 0.00665205 -3.54006 63.546000 Cu 0.140672 0.157431 4.26053e-17 739 63.546 0.00594292 -3.54009 63.546000 Cu 0.277192 0.130029 1 744 63.546 0.00127542 -3.53796 63.546000 Cu 0.246206 0.111419 0.5 745 63.546 0.00388999 -3.53903 63.546000 Cu 0.24199 0.144923 0.5 746 63.546 0.00176884 -3.53903 63.546000 Cu 0.31247 0.115287 0.5 750 63.546 0.00917947 -3.53499 63.546000 Cu 0.308259 0.14841 0.5 795 63.546 0.00388124 -3.5373 63.546000 Cu 0.41019 0.135702 0 468 63.546 0.00486817 -3.53898 63.546000 Cu 0.379093 0.118164 0.5 469 63.546 0.00869717 -3.53742 63.546000 Cu 0.374738 0.151218 0.5 470 63.546 0.00610429 -3.53865 63.546000 Cu 0.441302 0.153109 0.5 491 63.546 0.00220305 -3.53952 63.546000 Cu 0.343621 0.133401 0 797 63.546 0.00865911 -3.53684 63.546000 Cu 0.445751 0.119944 0.5 474 63.546 0.0026651 -3.53922 63.546000 Cu 0.476818 0.137198 2.35894e-17 493 63.546 0.000832743 -3.53941 63.546000 Cu 0.543353 0.138385 0 494 63.546 0.000348916 -3.53887 63.546000 Cu 0.512358 0.121147 0.5 495 63.546 0.000355893 -3.53907 63.546000 Cu 0.507867 0.154457 0.5 496 63.546 0.000146024 -3.53915 63.546000 Cu 0.614206 0.106141 0 498 63.546 0.00534197 -3.53887 63.546000 Cu 0.578797 0.122263 0.5 500 63.546 0.00178594 -3.53881 63.546000 Cu 0.574362 0.155715 0.5 525 63.546 0.00166188 -3.53955 63.546000 Cu 0.609745 0.139729 4.76601e-17 527 63.546 0.00449504 -3.53958 63.546000 Cu 0.645031 0.123844 0.5 529 63.546 0.00827589 -3.53982 63.546000 Cu 0.640672 0.157431 0.5 530 63.546 0.00594292 -3.54009 63.546000 Cu 0.675908 0.141847 0 528 63.546 0.00660974 -3.54027 63.546000 Cu 0.680257 0.108158 1.2228e-16 531 63.546 0.0113543 -3.53949 63.546000 Cu 0.746206 0.111419 1.2252e-16 532 63.546 0.00388999 -3.53903 63.546000 Cu 0.711065 0.126474 0.5 534 63.546 0.00665205 -3.54006 63.546000 Cu 0.74199 0.144923 0 569 63.546 0.00176884 -3.53903 63.546000 Cu 0.777192 0.130029 0.5 571 63.546 0.00127542 -3.53796 63.546000 Cu 0.808259 0.14841 1 570 63.546 0.00388124 -3.5373 63.546000 Cu 0.81247 0.115287 2.40226e-16 573 63.546 0.00917947 -3.53499 63.546000 Cu 0.879093 0.118164 2.74888e-16 574 63.546 0.00869717 -3.53742 63.546000 Cu 0.843621 0.133401 0.5 576 63.546 0.00865911 -3.53684 63.546000 Cu 0.874738 0.151218 1.2252e-16 619 63.546 0.00610429 -3.53865 63.546000 Cu 0.941302 0.153109 2.45281e-16 620 63.546 0.00220305 -3.53952 63.546000 Cu 0.91019 0.135702 0.5 621 63.546 0.00486817 -3.53898 63.546000 Cu 0.945751 0.119944 3.7069e-17 623 63.546 0.0026651 -3.53922 63.546000 Cu 0.976818 0.137198 0.5 626 63.546 0.000832743 -3.53941 63.546000 Cu 0.0389092 0.171747 0.5 680 63.546 0.000236962 -3.53955 63.546000 Cu 0.0344168 0.205081 0.5 733 63.546 0.000197301 -3.53951 63.546000 Cu 0.0699185 0.189104 0 735 63.546 0.00147046 -3.53974 63.546000 Cu 0.105347 0.173209 0.5 737 63.546 0.00349435 -3.53994 63.546000 Cu 0.100866 0.206584 0.5 738 63.546 0.00330173 -3.53984 63.546000 Cu 0.00342066 0.187765 0 674 63.546 8.62663e-05 -3.53935 63.546000 Cu 0.1363 0.19088 1.2228e-16 736 63.546 0.00485738 -3.5401 63.546000 Cu 0.206848 0.16004 4.21239e-17 740 63.546 0.00355764 -3.53963 63.546000 Cu 0.171633 0.17536 0.5 742 63.546 0.00501652 -3.54017 63.546000 Cu 0.167187 0.20875 0.5 787 63.546 0.00449733 -3.53986 63.546000 Cu 0.202569 0.193463 1.2228e-16 789 63.546 0.00266809 -3.53982 63.546000 Cu 0.268812 0.196634 2.448e-16 790 63.546 0.000243125 -3.53927 63.546000 Cu 0.237861 0.178333 0.5 791 63.546 0.00105236 -3.53898 63.546000 Cu 0.273034 0.163338 1 793 63.546 0.000387187 -3.53809 63.546000 Cu 0.30415 0.181633 0.5 796 63.546 0.00250304 -3.5383 63.546000 Cu 0.339405 0.166518 0 794 63.546 0.00541754 -3.5385 63.546000 Cu 0.335132 0.199744 8.28035e-17 835 63.546 0.00463554 -3.53908 63.546000 Cu 0.401498 0.202084 7.10088e-17 486 63.546 0.00368262 -3.53896 63.546000 Cu 0.370503 0.184399 0.5 487 63.546 0.00522038 -3.53896 63.546000 Cu 0.405874 0.168846 0 489 63.546 0.00381304 -3.53959 63.546000 Cu 0.436944 0.186335 0.5 492 63.546 0.00187813 -3.53915 63.546000 Cu 0.4724 0.17045 2.25062e-16 490 63.546 0.000729496 -3.53937 63.546000 Cu 0.467936 0.203737 9.41168e-17 519 63.546 0.000790901 -3.53899 63.546000 Cu 0.534417 0.205081 0 520 63.546 0.000197301 -3.53951 63.546000 Cu 0.503421 0.187765 0.5 521 63.546 8.62663e-05 -3.53935 63.546000 Cu 0.538909 0.171747 0 523 63.546 0.000236962 -3.53955 63.546000 Cu 0.605347 0.173209 1.2252e-16 524 63.546 0.00349435 -3.53994 63.546000 Cu 0.569919 0.189104 0.5 526 63.546 0.00147046 -3.53974 63.546000 Cu 0.600866 0.206584 1 561 63.546 0.00330173 -3.53984 63.546000 Cu 0.6363 0.19088 0.5 563 63.546 0.00485738 -3.5401 63.546000 Cu 0.667187 0.20875 0 562 63.546 0.00449733 -3.53986 63.546000 Cu 0.671633 0.17536 0 565 63.546 0.00501652 -3.54017 63.546000 Cu 0.737861 0.178333 4.81416e-19 566 63.546 0.00105236 -3.53898 63.546000 Cu 0.706848 0.16004 0.5 567 63.546 0.00355764 -3.53963 63.546000 Cu 0.702569 0.193463 0.5 568 63.546 0.00266809 -3.53982 63.546000 Cu 0.773034 0.163338 0.5 572 63.546 0.000387187 -3.53809 63.546000 Cu 0.768812 0.196634 0.5 613 63.546 0.000243125 -3.53927 63.546000 Cu 0.80415 0.181633 0 615 63.546 0.00250304 -3.5383 63.546000 Cu 0.870503 0.184399 0 616 63.546 0.00522038 -3.53896 63.546000 Cu 0.839405 0.166518 0.5 617 63.546 0.00541754 -3.5385 63.546000 Cu 0.835132 0.199744 0.5 618 63.546 0.00463554 -3.53908 63.546000 Cu 0.905874 0.168846 0.5 622 63.546 0.00381304 -3.53959 63.546000 Cu 0.901498 0.202084 0.5 671 63.546 0.00368262 -3.53896 63.546000 Cu 0.936944 0.186335 0 673 63.546 0.00187813 -3.53915 63.546000 Cu 0.9724 0.17045 0.5 675 63.546 0.000729496 -3.53937 63.546000 Cu 0.967936 0.203737 0.5 676 63.546 0.000790901 -3.53899 63.546000 Cu 0.0653738 0.22244 1.46591e-16 732 63.546 0.00138498 -3.53951 63.546000 Cu 0.0298346 0.238388 0.5 734 63.546 0.000221137 -3.53925 63.546000 Cu 0.060753 0.25573 1.2228e-16 781 63.546 0.00112164 -3.53898 63.546000 Cu 0.0962765 0.239898 0.5 783 63.546 0.00308041 -3.53897 63.546000 Cu 0.1272 0.257489 1.10966e-16 782 63.546 0.00506419 -3.53885 63.546000 Cu 0.131751 0.224236 9.02654e-17 785 63.546 0.004311 -3.53929 63.546000 Cu 0.198037 0.226806 9.86902e-17 786 63.546 0.00261857 -3.53909 63.546000 Cu 0.162599 0.242052 0.5 788 63.546 0.00486364 -3.53844 63.546000 Cu 0.193541 0.260074 0 827 63.546 0.0037737 -3.53833 63.546000 Cu 0.228874 0.245009 0.5 829 63.546 0.000879618 -3.53912 63.546000 Cu 0.233438 0.211687 0.5 792 63.546 0.000625053 -3.53966 63.546000 Cu 0.264283 0.229978 6.2584e-17 831 63.546 7.51477e-05 -3.53978 63.546000 Cu 0.33051 0.23306 1 832 63.546 0.00452535 -3.5402 63.546000 Cu 0.299694 0.214909 0.5 833 63.546 0.00176132 -3.53989 63.546000 Cu 0.295082 0.248269 0.5 834 63.546 0.00206521 -3.53955 63.546000 Cu 0.366015 0.217651 0.5 488 63.546 0.00451131 -3.53987 63.546000 Cu 0.361314 0.251002 0.5 514 63.546 0.00496164 -3.54027 63.546000 Cu 0.396847 0.235379 4.81416e-19 515 63.546 0.0033451 -3.54005 63.546000 Cu 0.432427 0.219601 0.5 517 63.546 0.00159782 -3.53936 63.546000 Cu 0.427706 0.252918 0.5 518 63.546 0.00161454 -3.53958 63.546000 Cu 0.463312 0.237036 0 516 63.546 0.000774224 -3.53933 63.546000 Cu 0.498893 0.221078 0.5 522 63.546 0.000151059 -3.53926 63.546000 Cu 0.494224 0.254367 0.5 555 63.546 8.04216e-05 -3.53923 63.546000 Cu 0.529835 0.238388 0 557 63.546 0.000221137 -3.53925 63.546000 Cu 0.560753 0.25573 0.5 560 63.546 0.00112164 -3.53898 63.546000 Cu 0.596276 0.239898 0 558 63.546 0.00308041 -3.53897 63.546000 Cu 0.565374 0.22244 0.5 559 63.546 0.00138498 -3.53951 63.546000 Cu 0.631751 0.224236 0.5 564 63.546 0.004311 -3.53929 63.546000 Cu 0.6272 0.257489 0.5 605 63.546 0.00506419 -3.53885 63.546000 Cu 0.662599 0.242052 4.81416e-19 607 63.546 0.00486364 -3.53844 63.546000 Cu 0.728874 0.245009 1 608 63.546 0.000879618 -3.53912 63.546000 Cu 0.698037 0.226806 0.5 609 63.546 0.00261857 -3.53909 63.546000 Cu 0.693541 0.260074 0.5 610 63.546 0.0037737 -3.53833 63.546000 Cu 0.733438 0.211687 1 611 63.546 0.000625053 -3.53966 63.546000 Cu 0.764283 0.229978 0.5 614 63.546 7.51477e-05 -3.53978 63.546000 Cu 0.799694 0.214909 4.81416e-19 612 63.546 0.00176132 -3.53989 63.546000 Cu 0.795082 0.248269 0 665 63.546 0.00206521 -3.53955 63.546000 Cu 0.861314 0.251002 1.56701e-16 666 63.546 0.00496164 -3.54027 63.546000 Cu 0.83051 0.23306 0.5 667 63.546 0.00452535 -3.5402 63.546000 Cu 0.866015 0.217651 2.448e-16 669 63.546 0.00451131 -3.53987 63.546000 Cu 0.896847 0.235379 0.5 672 63.546 0.0033451 -3.54005 63.546000 Cu 0.932427 0.219601 0 670 63.546 0.00159782 -3.53936 63.546000 Cu 0.927706 0.252918 1.2228e-16 727 63.546 0.00161454 -3.53958 63.546000 Cu 0.994224 0.254367 0 728 63.546 8.04216e-05 -3.53923 63.546000 Cu 0.963312 0.237036 0.5 729 63.546 0.000774224 -3.53933 63.546000 Cu 0.998893 0.221078 1.23002e-16 731 63.546 0.000151059 -3.53926 63.546000 Cu 0.0561388 0.288929 2.448e-16 778 63.546 0.00149215 -3.53921 63.546000 Cu 0.0251655 0.271648 0.5 779 63.546 0.000240964 -3.53911 63.546000 Cu 0.0205458 0.304872 0.5 780 63.546 0.000528528 -3.53908 63.546000 Cu 0.0917084 0.273126 0.5 784 63.546 0.00327597 -3.5393 63.546000 Cu 0.0871918 0.306261 0.5 821 63.546 0.0039833 -3.53906 63.546000 Cu 0.122739 0.290657 8.61734e-17 823 63.546 0.00612525 -3.5389 63.546000 Cu 0.189209 0.293297 0 824 63.546 0.0059451 -3.53738 63.546000 Cu 0.158193 0.275273 0.5 825 63.546 0.0061395 -3.53857 63.546000 Cu 0.153808 0.308386 0.5 826 63.546 0.00986314 -3.53661 63.546000 Cu 0.220245 0.31167 0.5 859 63.546 0.0020258 -3.53815 63.546000 Cu 0.224517 0.278332 0.5 830 63.546 0.00103735 -3.53865 63.546000 Cu 0.259772 0.263351 1.088e-16 828 63.546 0.000367151 -3.53906 63.546000 Cu 0.255444 0.296776 0 861 63.546 0.00107118 -3.53944 63.546000 Cu 0.321512 0.299973 2.65019e-16 862 63.546 0.00674801 -3.53998 63.546000 Cu 0.290665 0.281698 0.5 863 63.546 0.0026856 -3.53937 63.546000 Cu 0.286331 0.315281 0.5 864 63.546 0.00582771 -3.54021 63.546000 Cu 0.325919 0.266463 4.81416e-19 865 63.546 0.00544099 -3.5396 63.546000 Cu 0.392176 0.268738 2.06768e-16 513 63.546 0.00351282 -3.54007 63.546000 Cu 0.387653 0.302215 1.2228e-16 549 63.546 0.00458168 -3.53913 63.546000 Cu 0.423067 0.286298 0.5 551 63.546 0.00201844 -3.53942 63.546000 Cu 0.356801 0.284455 0.5 866 63.546 0.00617981 -3.53977 63.546000 Cu 0.454006 0.303683 1.2228e-16 550 63.546 0.000870844 -3.53907 63.546000 Cu 0.458599 0.270326 0 553 63.546 0.000614541 -3.53953 63.546000 Cu 0.525166 0.271648 0 554 63.546 0.000240964 -3.53911 63.546000 Cu 0.489533 0.287648 0.5 556 63.546 0.000301076 -3.53929 63.546000 Cu 0.520546 0.304872 0 599 63.546 0.000528528 -3.53908 63.546000 Cu 0.556139 0.288929 0.5 601 63.546 0.00149215 -3.53921 63.546000 Cu 0.587192 0.306261 1.16021e-16 600 63.546 0.0039833 -3.53906 63.546000 Cu 0.591708 0.273126 1 603 63.546 0.00327597 -3.5393 63.546000 Cu 0.658193 0.275273 0 604 63.546 0.0061395 -3.53857 63.546000 Cu 0.622739 0.290657 0.5 606 63.546 0.00612525 -3.5389 63.546000 Cu 0.653808 0.308386 0 657 63.546 0.00986314 -3.53661 63.546000 Cu 0.720245 0.31167 0 658 63.546 0.0020258 -3.53815 63.546000 Cu 0.689209 0.293297 0.5 659 63.546 0.0059451 -3.53738 63.546000 Cu 0.724517 0.278332 1 661 63.546 0.00103735 -3.53865 63.546000 Cu 0.759772 0.263351 0.5 663 63.546 0.000367151 -3.53906 63.546000 Cu 0.755444 0.296776 0.5 664 63.546 0.00107118 -3.53944 63.546000 Cu 0.786331 0.315281 9.86902e-17 719 63.546 0.00582771 -3.54021 63.546000 Cu 0.790665 0.281698 1 662 63.546 0.0026856 -3.53937 63.546000 Cu 0.825919 0.266463 0.5 668 63.546 0.00544099 -3.5396 63.546000 Cu 0.821512 0.299973 0.5 721 63.546 0.00674801 -3.53998 63.546000 Cu 0.856801 0.284455 6.81203e-17 723 63.546 0.00617981 -3.53977 63.546000 Cu 0.887653 0.302215 0.5 726 63.546 0.00458168 -3.53913 63.546000 Cu 0.892176 0.268738 0.5 725 63.546 0.00351282 -3.54007 63.546000 Cu 0.923067 0.286298 1.40814e-16 724 63.546 0.00201844 -3.53942 63.546000 Cu 0.958599 0.270326 0.5 730 63.546 0.000614541 -3.53953 63.546000 Cu 0.954006 0.303683 0.5 775 63.546 0.000870844 -3.53907 63.546000 Cu 0.989533 0.287648 1.9377e-16 777 63.546 0.000301076 -3.53929 63.546000 Cu 0.0472818 0.355189 8.93026e-17 816 63.546 0.00239981 -3.53894 63.546000 Cu 0.0161015 0.338096 0.5 817 63.546 0.000790933 -3.53838 63.546000 Cu 0.0516469 0.322083 3.37232e-16 819 63.546 0.00178468 -3.53892 63.546000 Cu 0.0827957 0.339309 0.5 822 63.546 0.00509943 -3.53801 63.546000 Cu 0.118328 0.323696 1.8029e-16 820 63.546 0.00907125 -3.53743 63.546000 Cu 0.114096 0.356607 0 853 63.546 0.0137185 -3.53507 63.546000 Cu 0.180973 0.359405 0 854 63.546 0.033492 -3.52962 63.546000 Cu 0.149578 0.341344 0.5 855 63.546 0.0198532 -3.53406 63.546000 Cu 0.184968 0.326418 0 857 63.546 0.0128575 -3.53498 63.546000 Cu 0.216202 0.345028 0.5 860 63.546 0.00444096 -3.53685 63.546000 Cu 0.251259 0.330312 1.22761e-16 858 63.546 0.0033594 -3.53895 63.546000 Cu 0.247261 0.363997 1.21317e-16 882 63.546 0.00990846 -3.53682 63.546000 Cu 0.313013 0.36758 2.15193e-16 883 63.546 0.0207658 -3.53878 63.546000 Cu 0.282205 0.349045 0.5 884 63.546 0.0134776 -3.53937 63.546000 Cu 0.317232 0.333663 0 886 63.546 0.0111115 -3.54009 63.546000 Cu 0.38331 0.335783 0 548 63.546 0.00492656 -3.53902 63.546000 Cu 0.418602 0.31974 0.5 552 63.546 0.00210919 -3.53937 63.546000 Cu 0.414193 0.353283 0.5 593 63.546 0.00261471 -3.53823 63.546000 Cu 0.352363 0.318024 0.5 887 63.546 0.00795066 -3.53974 63.546000 Cu 0.348067 0.351751 0.5 888 63.546 0.0104056 -3.53866 63.546000 Cu 0.44962 0.337093 0 595 63.546 0.000990694 -3.53887 63.546000 Cu 0.516101 0.338096 1.60793e-16 596 63.546 0.000790933 -3.53838 63.546000 Cu 0.485054 0.320938 0.5 597 63.546 0.000277545 -3.53864 63.546000 Cu 0.480625 0.354274 0.5 598 63.546 0.000564123 -3.53871 63.546000 Cu 0.551647 0.322083 0.5 602 63.546 0.00178468 -3.53892 63.546000 Cu 0.547282 0.355189 0.5 651 63.546 0.00239981 -3.53894 63.546000 Cu 0.582796 0.339309 1.29982e-17 653 63.546 0.00509943 -3.53801 63.546000 Cu 0.649578 0.341344 2.40708e-19 654 63.546 0.0198532 -3.53406 63.546000 Cu 0.618328 0.323696 0.5 655 63.546 0.00907125 -3.53743 63.546000 Cu 0.614096 0.356607 0.5 656 63.546 0.0137185 -3.53507 63.546000 Cu 0.684968 0.326418 0.5 660 63.546 0.0128575 -3.53498 63.546000 Cu 0.680973 0.359405 0.5 713 63.546 0.033492 -3.52962 63.546000 Cu 0.716202 0.345028 2.52743e-17 715 63.546 0.00444096 -3.53685 63.546000 Cu 0.751259 0.330312 0.5 717 63.546 0.0033594 -3.53895 63.546000 Cu 0.747261 0.363997 0.5 718 63.546 0.00990846 -3.53682 63.546000 Cu 0.782205 0.349045 0 716 63.546 0.0134776 -3.53937 63.546000 Cu 0.852363 0.318024 1.23002e-16 720 63.546 0.00795066 -3.53974 63.546000 Cu 0.817232 0.333663 0.5 722 63.546 0.0111115 -3.54009 63.546000 Cu 0.813013 0.36758 0.5 767 63.546 0.0207658 -3.53878 63.546000 Cu 0.848067 0.351751 6.2584e-18 769 63.546 0.0104056 -3.53866 63.546000 Cu 0.88331 0.335783 0.5 771 63.546 0.00492656 -3.53902 63.546000 Cu 0.914193 0.353283 1.22761e-16 770 63.546 0.00261471 -3.53823 63.546000 Cu 0.918602 0.31974 0 773 63.546 0.00210919 -3.53937 63.546000 Cu 0.985054 0.320938 0 774 63.546 0.000277545 -3.53864 63.546000 Cu 0.94962 0.337093 0.5 776 63.546 0.000990694 -3.53887 63.546000 Cu 0.980625 0.354274 7.43787e-17 815 63.546 0.000564123 -3.53871 63.546000 Cu 0.0117914 0.371326 0.5 818 63.546 0.000745498 -3.53964 63.546000 Cu 0.0430419 0.388281 7.67858e-17 849 63.546 0.00198307 -3.53906 63.546000 Cu 0.109959 0.389343 0 850 63.546 0.0238544 -3.53354 63.546000 Cu 0.0785977 0.372249 0.5 851 63.546 0.00701978 -3.5372 63.546000 Cu 0.0743321 0.405137 0.5 852 63.546 0.00725029 -3.53795 63.546000 Cu 0.00751029 0.40456 0.5 847 63.546 0.00110714 -3.53878 63.546000 Cu 0.145558 0.374105 0.5 856 63.546 0.0462573 -3.52798 63.546000 Cu 0.141621 0.406591 0.5 876 63.546 0.134059 -3.52119 63.546000 Cu 0.177189 0.392216 2.40708e-19 878 63.546 0.111641 -3.51693 63.546000 Cu 0.212406 0.378489 0.5 880 63.546 0.0138494 -3.53573 63.546000 Cu 0.20908 0.41245 0.5 881 63.546 0.104652 -3.52343 63.546000 Cu 0.308873 0.401811 3.56248e-17 411 63.546 0.0388331 -3.53413 63.546000 Cu 0.274227 0.417654 0.5 453 63.546 0.0763192 -3.52452 63.546000 Cu 0.24342 0.398003 0 879 63.546 0.030779 -3.53065 63.546000 Cu 0.278179 0.383111 0.5 885 63.546 0.0330324 -3.53571 63.546000 Cu 0.378925 0.369477 0 591 63.546 0.00548215 -3.53728 63.546000 Cu 0.339579 0.41988 0.5 379 63.546 0.0204047 -3.53073 63.546000 Cu 0.343813 0.385689 0.5 410 63.546 0.0147167 -3.53635 63.546000 Cu 0.374665 0.403316 1.7331e-17 590 63.546 0.00545826 -3.5351 63.546000 Cu 0.409883 0.386896 0.5 594 63.546 0.00232451 -3.53698 63.546000 Cu 0.405694 0.420609 0.5 643 63.546 0.0044084 -3.53504 63.546000 Cu 0.440914 0.404077 1.16984e-16 645 63.546 0.00198844 -3.53689 63.546000 Cu 0.445207 0.37056 7.05274e-17 592 63.546 0.00129758 -3.53861 63.546000 Cu 0.50751 0.40456 0 646 63.546 0.00110714 -3.53878 63.546000 Cu 0.476326 0.387644 0.5 647 63.546 0.000708877 -3.5387 63.546000 Cu 0.472132 0.421025 0.5 648 63.546 0.00409861 -3.53765 63.546000 Cu 0.511791 0.371326 0 649 63.546 0.000745498 -3.53964 63.546000 Cu 0.543042 0.388281 0.5 652 63.546 0.00198307 -3.53906 63.546000 Cu 0.578598 0.372249 1 650 63.546 0.00701978 -3.5372 63.546000 Cu 0.574332 0.405137 0 707 63.546 0.00725029 -3.53795 63.546000 Cu 0.641621 0.406591 1.2228e-16 708 63.546 0.134059 -3.52119 63.546000 Cu 0.609959 0.389343 0.5 709 63.546 0.0238544 -3.53354 63.546000 Cu 0.645558 0.374105 1 711 63.546 0.0462573 -3.52798 63.546000 Cu 0.712406 0.378489 1 712 63.546 0.0138494 -3.53573 63.546000 Cu 0.677189 0.392216 0.5 714 63.546 0.111641 -3.51693 63.546000 Cu 0.70908 0.41245 0 761 63.546 0.104652 -3.52343 63.546000 Cu 0.774227 0.417654 0 762 63.546 0.0763192 -3.52452 63.546000 Cu 0.74342 0.398003 0.5 763 63.546 0.030779 -3.53065 63.546000 Cu 0.878925 0.369477 0.5 772 63.546 0.00548215 -3.53728 63.546000 Cu 0.778179 0.383111 0 765 63.546 0.0330324 -3.53571 63.546000 Cu 0.843813 0.385689 0 766 63.546 0.0147167 -3.53635 63.546000 Cu 0.808873 0.401811 0.5 768 63.546 0.0388331 -3.53413 63.546000 Cu 0.839579 0.41988 0 807 63.546 0.0204047 -3.53073 63.546000 Cu 0.874665 0.403316 0.5 809 63.546 0.00545826 -3.5351 63.546000 Cu 0.905694 0.420609 2.72e-17 808 63.546 0.0044084 -3.53504 63.546000 Cu 0.909883 0.386896 0 811 63.546 0.00232451 -3.53698 63.546000 Cu 0.976326 0.387644 0 812 63.546 0.000708877 -3.5387 63.546000 Cu 0.945207 0.37056 0.5 813 63.546 0.00129758 -3.53861 63.546000 Cu 0.940914 0.404077 0.5 814 63.546 0.00198844 -3.53689 63.546000 Cu 0.972132 0.421025 5.53628e-17 845 63.546 0.00409861 -3.53765 63.546000 Cu 0.0387811 0.421364 1.85586e-16 846 63.546 0.00436706 -3.53976 63.546000 Cu 0.0357606 0.454499 1 870 63.546 0.0298792 -3.5378 63.546000 Cu 0.101907 0.454581 0 871 63.546 0.0646706 -3.53205 63.546000 Cu 0.0703189 0.438035 0.5 872 63.546 0.0144218 -3.53933 63.546000 Cu 0.0688505 0.471042 0.5 873 63.546 0.0327946 -3.5405 63.546000 Cu 0.105643 0.421939 1 874 63.546 0.0353168 -3.53508 63.546000 Cu 0.00370401 0.437816 0.5 848 63.546 0.0121274 -3.53955 63.546000 Cu 0.00245187 0.471094 0.5 869 63.546 0.0285338 -3.54005 63.546000 Cu 0.173501 0.424577 0 875 63.546 0.615298 -3.46771 63.546000 Cu 0.137253 0.438684 0.5 877 63.546 0.512072 -3.49703 63.546000 Cu 0.168204 0.455711 1 892 63.546 5.95697 -3.26449 63.546000 Cu 0.206564 0.448099 0.5 894 63.546 5.92015 -3.45402 63.546000 Cu 0.135099 0.470949 0.5 891 63.546 3.19383 -3.4772 63.546000 Cu 0.30114 0.471005 0 33 63.546 0.212949 -3.51099 63.546000 Cu 0.269696 0.453391 0.5 450 63.546 0.324736 -3.49503 63.546000 Cu 0.30444 0.43651 2.96071e-17 454 63.546 0.0809357 -3.52618 63.546000 Cu 0.231873 0.470841 0 893 63.546 4.54345 -3.57254 63.546000 Cu 0.239311 0.432771 1.47795e-16 896 63.546 0.214353 -3.51362 63.546000 Cu 0.335992 0.454111 0.5 14 63.546 0.0387459 -3.5234 63.546000 Cu 0.368705 0.471121 0 640 63.546 0.0682007 -3.53939 63.546000 Cu 0.370645 0.437282 0 641 63.546 0.0125388 -3.53252 63.546000 Cu 0.437127 0.437621 2.13267e-16 642 63.546 0.0116319 -3.53734 63.546000 Cu 0.402651 0.45433 0.5 644 63.546 0.0270794 -3.53726 63.546000 Cu 0.435735 0.471135 0 699 63.546 0.0366146 -3.54056 63.546000 Cu 0.502452 0.471094 0 700 63.546 0.0285338 -3.54005 63.546000 Cu 0.469291 0.454437 0.5 701 63.546 0.0250099 -3.53894 63.546000 Cu 0.503704 0.437816 7.91929e-17 703 63.546 0.0121274 -3.53955 63.546000 Cu 0.538781 0.421364 0.5 705 63.546 0.00436706 -3.53976 63.546000 Cu 0.535761 0.454499 0.5 706 63.546 0.0298792 -3.5378 63.546000 Cu 0.570319 0.438035 1 704 63.546 0.0144218 -3.53933 63.546000 Cu 0.605643 0.421939 0.5 710 63.546 0.0353168 -3.53508 63.546000 Cu 0.56885 0.471042 0 753 63.546 0.0327946 -3.5405 63.546000 Cu 0.601907 0.454581 0.5 755 63.546 0.0646706 -3.53205 63.546000 Cu 0.637253 0.438684 0 757 63.546 0.512072 -3.49703 63.546000 Cu 0.635099 0.470949 1 754 63.546 3.19383 -3.4772 63.546000 Cu 0.673501 0.424577 0.5 759 63.546 0.615298 -3.46771 63.546000 Cu 0.668204 0.455711 0.5 760 63.546 5.95697 -3.26449 63.546000 Cu 0.706564 0.448099 1 758 63.546 5.92015 -3.45402 63.546000 Cu 0.739311 0.432771 0.5 764 63.546 0.214353 -3.51362 63.546000 Cu 0.731873 0.470841 0.5 801 63.546 4.54345 -3.57254 63.546000 Cu 0.769696 0.453391 0 803 63.546 0.324736 -3.49503 63.546000 Cu 0.835992 0.454111 0 804 63.546 0.0387459 -3.5234 63.546000 Cu 0.80444 0.43651 0.5 805 63.546 0.0809357 -3.52618 63.546000 Cu 0.80114 0.471005 0.5 806 63.546 0.212949 -3.51099 63.546000 Cu 0.870645 0.437282 0.5 810 63.546 0.0125388 -3.53252 63.546000 Cu 0.868705 0.471121 0.5 839 63.546 0.0682007 -3.53939 63.546000 Cu 0.902651 0.45433 1.49239e-17 841 63.546 0.0270794 -3.53726 63.546000 Cu 0.969291 0.454437 3.80318e-17 842 63.546 0.0250099 -3.53894 63.546000 Cu 0.937127 0.437621 0.5 843 63.546 0.0116319 -3.53734 63.546000 Cu 0.935735 0.471135 0.5 844 63.546 0.0366146 -3.54056 63.546000 Cu 0.0407279 0.520808 1 58 63.546 0.00296022 -3.5393 63.546000 Cu 0.0717781 0.504048 0.5 59 63.546 0.0107824 -3.53846 63.546000 Cu 0.0051345 0.504394 0.5 60 63.546 0.00757206 -3.53911 63.546000 Cu 0.0365537 0.487655 1 868 63.546 0.0236168 -3.53778 63.546000 Cu 0.102726 0.487408 1.27575e-17 889 63.546 0.0582662 -3.53138 63.546000 Cu 0.107616 0.520019 9.86902e-17 61 63.546 0.0347522 -3.534 63.546000 Cu 0.175381 0.517119 2.45281e-16 31 63.546 0.532567 -3.47418 63.546000 Cu 0.138757 0.503168 0.5 32 63.546 0.470296 -3.49589 63.546000 Cu 0.169178 0.485936 1 890 63.546 7.54115 -3.2758 63.546000 Cu 0.207522 0.493864 0.5 895 63.546 5.86878 -3.45763 63.546000 Cu 0.24096 0.509017 1.20354e-18 136 63.546 0.234379 -3.51609 63.546000 Cu 0.270494 0.488491 0.5 94 63.546 0.347372 -3.49439 63.546000 Cu 0.305919 0.505577 0 135 63.546 0.0737863 -3.52504 63.546000 Cu 0.276135 0.524315 0.5 35 63.546 0.0812158 -3.52683 63.546000 Cu 0.336791 0.488096 0.5 13 63.546 0.0303334 -3.52242 63.546000 Cu 0.407651 0.521696 0.5 16 63.546 0.00194994 -3.53461 63.546000 Cu 0.372121 0.504983 1.43221e-16 697 63.546 0.00675309 -3.53143 63.546000 Cu 0.403454 0.48795 0.5 698 63.546 0.0209536 -3.53612 63.546000 Cu 0.438587 0.504667 1.9377e-16 3 63.546 0.00664793 -3.53624 63.546000 Cu 0.341472 0.522356 0.5 17 63.546 0.0157278 -3.53041 63.546000 Cu 0.505134 0.504394 4.81416e-19 4 63.546 0.00757206 -3.53911 63.546000 Cu 0.540728 0.520808 0.5 6 63.546 0.00296022 -3.5393 63.546000 Cu 0.474086 0.521252 0.5 7 63.546 0.00184003 -3.53718 63.546000 Cu 0.470076 0.487812 0.5 702 63.546 0.0195963 -3.53828 63.546000 Cu 0.536554 0.487655 0.5 752 63.546 0.0236168 -3.53778 63.546000 Cu 0.571778 0.504048 1 1 63.546 0.0107824 -3.53846 63.546000 Cu 0.607616 0.520019 0.5 2 63.546 0.0347522 -3.534 63.546000 Cu 0.638757 0.503168 0 184 63.546 0.470296 -3.49589 63.546000 Cu 0.602726 0.487408 0.5 756 63.546 0.0582662 -3.53138 63.546000 Cu 0.669178 0.485936 0.5 798 63.546 7.54115 -3.2758 63.546000 Cu 0.675381 0.517119 0.5 186 63.546 0.532567 -3.47418 63.546000 Cu 0.707522 0.493864 1.22761e-16 799 63.546 5.86878 -3.45763 63.546000 Cu 0.770494 0.488491 1.23002e-16 800 63.546 0.347372 -3.49439 63.546000 Cu 0.74096 0.509017 0.5 802 63.546 0.234379 -3.51609 63.546000 Cu 0.776135 0.524315 0 134 63.546 0.0812158 -3.52683 63.546000 Cu 0.805919 0.505577 0.5 836 63.546 0.0737863 -3.52504 63.546000 Cu 0.836791 0.488096 4.81416e-19 837 63.546 0.0303334 -3.52242 63.546000 Cu 0.872121 0.504983 0.5 840 63.546 0.00675309 -3.53143 63.546000 Cu 0.841472 0.522356 0 137 63.546 0.0157278 -3.53041 63.546000 Cu 0.903454 0.48795 4.81416e-19 838 63.546 0.0209536 -3.53612 63.546000 Cu 0.907651 0.521696 0 92 63.546 0.00194994 -3.53461 63.546000 Cu 0.938587 0.504667 0.5 93 63.546 0.00664793 -3.53624 63.546000 Cu 0.974086 0.521252 0 95 63.546 0.00184003 -3.53718 63.546000 Cu 0.970076 0.487812 0 867 63.546 0.0195963 -3.53828 63.546000 Cu 0.0766169 0.53692 0.5 64 63.546 0.00792651 -3.53767 63.546000 Cu 0.00979187 0.537661 0.5 97 63.546 0.00100775 -3.53815 63.546000 Cu 0.0455584 0.553859 0 99 63.546 0.00261077 -3.5385 63.546000 Cu 0.0812504 0.569782 0.5 101 63.546 0.00735208 -3.53705 63.546000 Cu 0.0145219 0.570879 0.5 102 63.546 0.000997531 -3.53905 63.546000 Cu 0.211127 0.529331 0.5 36 63.546 0.0996671 -3.5259 63.546000 Cu 0.112463 0.55259 1.2228e-16 62 63.546 0.0233725 -3.53387 63.546000 Cu 0.143888 0.53524 0.5 63 63.546 0.125905 -3.52127 63.546000 Cu 0.179613 0.549529 0 65 63.546 0.0953926 -3.51789 63.546000 Cu 0.148163 0.567731 0.5 68 63.546 0.0425744 -3.52841 63.546000 Cu 0.214907 0.563271 0.5 67 63.546 0.0137505 -3.53617 63.546000 Cu 0.24569 0.543817 1.23002e-16 34 63.546 0.0379399 -3.53255 63.546000 Cu 0.311064 0.540308 0 37 63.546 0.0351041 -3.53456 63.546000 Cu 0.315584 0.57446 0 38 63.546 0.0195473 -3.53889 63.546000 Cu 0.280566 0.558864 0.5 40 63.546 0.0319265 -3.53649 63.546000 Cu 0.249825 0.577832 0 69 63.546 0.0116727 -3.53813 63.546000 Cu 0.376942 0.538946 0 15 63.546 0.00425051 -3.53482 63.546000 Cu 0.412429 0.555398 0.5 21 63.546 0.00148514 -3.5367 63.546000 Cu 0.34627 0.556484 0.5 39 63.546 0.0132555 -3.53665 63.546000 Cu 0.381624 0.572722 1 41 63.546 0.00456787 -3.53735 63.546000 Cu 0.443231 0.538241 1 18 63.546 0.000867585 -3.53681 63.546000 Cu 0.509792 0.537661 1 5 63.546 0.00100775 -3.53815 63.546000 Cu 0.545558 0.553859 0.5 11 63.546 0.00261077 -3.5385 63.546000 Cu 0.447952 0.571729 3.31455e-16 19 63.546 0.000656325 -3.53818 63.546000 Cu 0.478899 0.554642 0.5 20 63.546 0.000624245 -3.53826 63.546000 Cu 0.514522 0.570879 0 22 63.546 0.000997531 -3.53905 63.546000 Cu 0.576617 0.53692 1.23002e-16 8 63.546 0.00792651 -3.53767 63.546000 Cu 0.58125 0.569782 1.25168e-16 9 63.546 0.00735208 -3.53705 63.546000 Cu 0.612463 0.55259 0.5 10 63.546 0.0233725 -3.53387 63.546000 Cu 0.643888 0.53524 0 185 63.546 0.125905 -3.52127 63.546000 Cu 0.648163 0.567731 0 242 63.546 0.0425744 -3.52841 63.546000 Cu 0.711127 0.529331 1.2228e-16 187 63.546 0.0996671 -3.5259 63.546000 Cu 0.714907 0.563271 4.93451e-17 188 63.546 0.0137505 -3.53617 63.546000 Cu 0.74569 0.543817 0.5 189 63.546 0.0379399 -3.53255 63.546000 Cu 0.679613 0.549529 0.5 190 63.546 0.0953926 -3.51789 63.546000 Cu 0.749825 0.577832 0.5 194 63.546 0.0116727 -3.53813 63.546000 Cu 0.84627 0.556484 1.2228e-16 138 63.546 0.0132555 -3.53665 63.546000 Cu 0.876942 0.538946 0.5 139 63.546 0.00425051 -3.53482 63.546000 Cu 0.811064 0.540308 0.5 140 63.546 0.0351041 -3.53456 63.546000 Cu 0.780566 0.558864 7.26938e-17 191 63.546 0.0319265 -3.53649 63.546000 Cu 0.815584 0.57446 0.5 193 63.546 0.0195473 -3.53889 63.546000 Cu 0.881624 0.572722 0.5 144 63.546 0.00456787 -3.53735 63.546000 Cu 0.978899 0.554642 2.62131e-16 96 63.546 0.000624245 -3.53826 63.546000 Cu 0.943231 0.538241 0.5 98 63.546 0.000867585 -3.53681 63.546000 Cu 0.912429 0.555398 2.36375e-16 141 63.546 0.00148514 -3.5367 63.546000 Cu 0.947952 0.571729 0.5 143 63.546 0.000656325 -3.53818 63.546000 Cu 0.0500989 0.58693 2.75129e-16 100 63.546 0.00284197 -3.53859 63.546000 Cu 0.0856037 0.602713 0.5 106 63.546 0.00523072 -3.5377 63.546000 Cu 0.0189636 0.604084 0.5 147 63.546 0.00102999 -3.53949 63.546000 Cu 0.0544261 0.620023 1 149 63.546 0.00255977 -3.53954 63.546000 Cu 0.183618 0.582355 0 66 63.546 0.0260783 -3.5302 63.546000 Cu 0.116806 0.585326 5.53628e-17 103 63.546 0.0134057 -3.53499 63.546000 Cu 0.121054 0.618223 4.40495e-17 104 63.546 0.00857483 -3.53719 63.546000 Cu 0.152304 0.600501 0.5 105 63.546 0.0176614 -3.53391 63.546000 Cu 0.187672 0.615336 1.57664e-16 107 63.546 0.00868732 -3.53484 63.546000 Cu 0.218868 0.596752 0.5 72 63.546 0.00364285 -3.53747 63.546000 Cu 0.253957 0.61148 1.2228e-16 70 63.546 0.00424792 -3.5395 63.546000 Cu 0.284873 0.592856 0.5 71 63.546 0.013955 -3.5396 63.546000 Cu 0.319942 0.608275 0 73 63.546 0.0116535 -3.5401 63.546000 Cu 0.289056 0.626551 0.5 76 63.546 0.00676267 -3.54043 63.546000 Cu 0.222929 0.630069 0.5 109 63.546 0.00131051 -3.5381 63.546000 Cu 0.38602 0.606319 5.96955e-17 42 63.546 0.00477418 -3.53902 63.546000 Cu 0.417007 0.588946 0.5 43 63.546 0.00142001 -3.53806 63.546000 Cu 0.350763 0.590312 0.5 44 63.546 0.0105006 -3.53876 63.546000 Cu 0.421336 0.622392 0.5 48 63.546 0.00173267 -3.53856 63.546000 Cu 0.355107 0.623984 0.5 75 63.546 0.00683851 -3.54005 63.546000 Cu 0.518964 0.604084 7.36566e-17 23 63.546 0.00102999 -3.53949 63.546000 Cu 0.48348 0.587967 0.5 25 63.546 0.000404413 -3.53906 63.546000 Cu 0.452408 0.605132 5.29557e-17 45 63.546 0.000378219 -3.53891 63.546000 Cu 0.487814 0.62125 0.5 47 63.546 0.00020636 -3.53923 63.546000 Cu 0.550099 0.58693 0.5 24 63.546 0.00284197 -3.53859 63.546000 Cu 0.554426 0.620023 0.5 29 63.546 0.00255977 -3.53954 63.546000 Cu 0.616806 0.585326 0.5 12 63.546 0.0134057 -3.53499 63.546000 Cu 0.585604 0.602713 4.81416e-18 26 63.546 0.00523072 -3.5377 63.546000 Cu 0.621054 0.618223 0.5 28 63.546 0.00857483 -3.53719 63.546000 Cu 0.652304 0.600501 0 243 63.546 0.0176614 -3.53391 63.546000 Cu 0.683618 0.582355 0.5 244 63.546 0.0260783 -3.5302 63.546000 Cu 0.718868 0.596752 0 245 63.546 0.00364285 -3.53747 63.546000 Cu 0.722929 0.630069 0 246 63.546 0.00131051 -3.5381 63.546000 Cu 0.753957 0.61148 0.5 247 63.546 0.00424792 -3.5395 63.546000 Cu 0.687672 0.615336 0.5 248 63.546 0.00868732 -3.53484 63.546000 Cu 0.784873 0.592856 9.89309e-17 192 63.546 0.013955 -3.5396 63.546000 Cu 0.850763 0.590312 1.48998e-16 195 63.546 0.0105006 -3.53876 63.546000 Cu 0.855107 0.623984 2.44559e-16 196 63.546 0.00683851 -3.54005 63.546000 Cu 0.819942 0.608275 0.5 198 63.546 0.0116535 -3.5401 63.546000 Cu 0.789056 0.626551 1.32149e-16 249 63.546 0.00676267 -3.54043 63.546000 Cu 0.88602 0.606319 0.5 197 63.546 0.00477418 -3.53902 63.546000 Cu 0.917007 0.588946 1.39851e-16 142 63.546 0.00142001 -3.53806 63.546000 Cu 0.98348 0.587967 2.02195e-16 145 63.546 0.000404413 -3.53906 63.546000 Cu 0.987814 0.62125 0 146 63.546 0.00020636 -3.53923 63.546000 Cu 0.952408 0.605132 0.5 148 63.546 0.000378219 -3.53891 63.546000 Cu 0.921336 0.622392 1.2228e-16 199 63.546 0.00173267 -3.53856 63.546000 Cu 0.0587634 0.65315 1.23002e-16 150 63.546 0.00242005 -3.53947 63.546000 Cu 0.089878 0.635743 0.5 151 63.546 0.00431053 -3.53896 63.546000 Cu 0.0232618 0.637279 0.5 152 63.546 0.00108123 -3.53952 63.546000 Cu 0.0942041 0.668846 0.5 156 63.546 0.00371386 -3.53987 63.546000 Cu 0.0276321 0.670457 0.5 205 63.546 0.000763947 -3.53942 63.546000 Cu 0.191815 0.648424 4.04389e-17 108 63.546 0.00349136 -3.53712 63.546000 Cu 0.156471 0.63344 0.5 110 63.546 0.00868239 -3.53663 63.546000 Cu 0.125337 0.651233 2.40708e-19 153 63.546 0.00572521 -3.53894 63.546000 Cu 0.160711 0.666522 0.5 155 63.546 0.00581417 -3.53854 63.546000 Cu 0.195911 0.681609 0 157 63.546 0.00187473 -3.5383 63.546000 Cu 0.324176 0.641911 8.49699e-17 74 63.546 0.00702135 -3.5403 63.546000 Cu 0.258088 0.644961 0 111 63.546 0.00164242 -3.53887 63.546000 Cu 0.262198 0.678351 1.31186e-16 112 63.546 0.000818193 -3.53913 63.546000 Cu 0.293217 0.660063 0.5 113 63.546 0.00397367 -3.53937 63.546000 Cu 0.227073 0.66334 0.5 114 63.546 0.000540406 -3.53828 63.546000 Cu 0.32835 0.675392 1.78124e-17 115 63.546 0.00504159 -3.53986 63.546000 Cu 0.390343 0.639831 0 77 63.546 0.00389089 -3.53943 63.546000 Cu 0.394625 0.673257 0 78 63.546 0.00285315 -3.54013 63.546000 Cu 0.425685 0.655765 0.5 79 63.546 0.00186389 -3.53932 63.546000 Cu 0.359376 0.657509 0.5 80 63.546 0.0047967 -3.54018 63.546000 Cu 0.456717 0.638463 1.66088e-16 46 63.546 0.000395827 -3.53848 63.546000 Cu 0.523262 0.637279 0 49 63.546 0.00108123 -3.53952 63.546000 Cu 0.527632 0.670457 1.95695e-16 50 63.546 0.000763947 -3.53942 63.546000 Cu 0.492165 0.654497 0.5 52 63.546 0.000139265 -3.53895 63.546000 Cu 0.461078 0.67175 5.56035e-17 81 63.546 0.000379894 -3.53932 63.546000 Cu 0.589878 0.635743 1 27 63.546 0.00431053 -3.53896 63.546000 Cu 0.625337 0.651233 0.5 30 63.546 0.00572521 -3.53894 63.546000 Cu 0.558763 0.65315 0.5 51 63.546 0.00242005 -3.53947 63.546000 Cu 0.594204 0.668846 1.34556e-16 53 63.546 0.00371386 -3.53987 63.546000 Cu 0.656471 0.63344 0 296 63.546 0.00868239 -3.53663 63.546000 Cu 0.660711 0.666522 0 297 63.546 0.00581417 -3.53854 63.546000 Cu 0.758088 0.644961 0.5 252 63.546 0.00164242 -3.53887 63.546000 Cu 0.691815 0.648424 0.5 298 63.546 0.00349136 -3.53712 63.546000 Cu 0.727073 0.66334 5.31964e-17 299 63.546 0.000540406 -3.53828 63.546000 Cu 0.762198 0.678351 0.5 301 63.546 0.000818193 -3.53913 63.546000 Cu 0.695911 0.681609 0.5 302 63.546 0.00187473 -3.5383 63.546000 Cu 0.793217 0.660063 0 250 63.546 0.00397367 -3.53937 63.546000 Cu 0.824176 0.641911 0.5 251 63.546 0.00702135 -3.5403 63.546000 Cu 0.859376 0.657509 1.99787e-17 253 63.546 0.0047967 -3.54018 63.546000 Cu 0.82835 0.675392 0.5 256 63.546 0.00504159 -3.53986 63.546000 Cu 0.992165 0.654497 0 203 63.546 0.000139265 -3.53895 63.546000 Cu 0.925685 0.655765 6.71575e-17 200 63.546 0.00186389 -3.53932 63.546000 Cu 0.956717 0.638463 0.5 201 63.546 0.000395827 -3.53848 63.546000 Cu 0.890343 0.639831 0.5 202 63.546 0.00389089 -3.53943 63.546000 Cu 0.961078 0.67175 0.5 206 63.546 0.000379894 -3.53932 63.546000 Cu 0.894625 0.673257 0.5 255 63.546 0.00285315 -3.54013 63.546000 Cu 0.0630584 0.68631 0 207 63.546 0.00196018 -3.53937 63.546000 Cu 0.0672857 0.719535 2.35894e-17 208 63.546 0.00167787 -3.53933 63.546000 Cu 0.0983961 0.702029 0.5 209 63.546 0.00325849 -3.53897 63.546000 Cu 0.0319437 0.703673 0.5 210 63.546 0.00071511 -3.53945 63.546000 Cu 0.00081049 0.720983 0 261 63.546 0.000109927 -3.53951 63.546000 Cu 0.102614 0.735296 0.5 214 63.546 0.00330364 -3.53979 63.546000 Cu 0.129536 0.684374 0 154 63.546 0.00507933 -3.53926 63.546000 Cu 0.199913 0.714879 1.07356e-16 158 63.546 0.001702 -3.5392 63.546000 Cu 0.164736 0.699713 0.5 160 63.546 0.00443027 -3.53866 63.546000 Cu 0.133642 0.717604 0 211 63.546 0.00465818 -3.53912 63.546000 Cu 0.168909 0.733004 0.5 213 63.546 0.00461803 -3.53953 63.546000 Cu 0.2973 0.693482 0.5 118 63.546 0.00250522 -3.53977 63.546000 Cu 0.231034 0.696638 0.5 159 63.546 0.00012844 -3.53933 63.546000 Cu 0.266209 0.711692 0 161 63.546 0.00048999 -3.53985 63.546000 Cu 0.301484 0.726786 0.5 163 63.546 0.00238328 -3.53922 63.546000 Cu 0.235166 0.729937 0.5 164 63.546 6.78925e-05 -3.53944 63.546000 Cu 0.33252 0.708753 0 116 63.546 0.00426745 -3.53992 63.546000 Cu 0.429991 0.689086 0.5 84 63.546 0.00168389 -3.54 63.546000 Cu 0.363572 0.690903 0.5 117 63.546 0.00437074 -3.54017 63.546000 Cu 0.398915 0.706574 0 119 63.546 0.00263307 -3.54018 63.546000 Cu 0.434295 0.722353 0.5 121 63.546 0.00171687 -3.53966 63.546000 Cu 0.367825 0.724193 0.5 122 63.546 0.00424531 -3.5395 63.546000 Cu 0.465414 0.70501 0 82 63.546 0.00041256 -3.53975 63.546000 Cu 0.496521 0.687732 0.5 83 63.546 5.5971e-05 -3.53961 63.546000 Cu 0.531944 0.703673 0 85 63.546 0.00071511 -3.53945 63.546000 Cu 0.50081 0.720983 0.5 88 63.546 0.000109927 -3.53951 63.546000 Cu 0.629536 0.684374 0.5 55 63.546 0.00507933 -3.53926 63.546000 Cu 0.598396 0.702029 1.34796e-17 54 63.546 0.00325849 -3.53897 63.546000 Cu 0.563058 0.68631 0.5 56 63.546 0.00196018 -3.53937 63.546000 Cu 0.633642 0.717604 0.5 57 63.546 0.00465818 -3.53912 63.546000 Cu 0.567286 0.719535 0.5 87 63.546 0.00167787 -3.53933 63.546000 Cu 0.602614 0.735296 0 89 63.546 0.00330364 -3.53979 63.546000 Cu 0.664736 0.699713 1.85826e-16 342 63.546 0.00443027 -3.53866 63.546000 Cu 0.731034 0.696638 1 300 63.546 0.00012844 -3.53933 63.546000 Cu 0.766209 0.711692 0.5 306 63.546 0.00048999 -3.53985 63.546000 Cu 0.668909 0.733004 1 343 63.546 0.00461803 -3.53953 63.546000 Cu 0.699913 0.714879 0.5 344 63.546 0.001702 -3.5392 63.546000 Cu 0.735166 0.729937 1.81012e-16 345 63.546 6.78925e-05 -3.53944 63.546000 Cu 0.863572 0.690903 0 254 63.546 0.00437074 -3.54017 63.546000 Cu 0.7973 0.693482 1.75235e-16 303 63.546 0.00250522 -3.53977 63.546000 Cu 0.801484 0.726786 8.88212e-17 304 63.546 0.00238328 -3.53922 63.546000 Cu 0.83252 0.708753 0.5 305 63.546 0.00426745 -3.53992 63.546000 Cu 0.867825 0.724193 2.44318e-16 307 63.546 0.00424531 -3.5395 63.546000 Cu 0.996521 0.687732 1 204 63.546 5.5971e-05 -3.53961 63.546000 Cu 0.929991 0.689086 0 257 63.546 0.00168389 -3.54 63.546000 Cu 0.934295 0.722353 0 258 63.546 0.00171687 -3.53966 63.546000 Cu 0.965414 0.70501 0.5 259 63.546 0.00041256 -3.53975 63.546000 Cu 0.898915 0.706574 0.5 260 63.546 0.00263307 -3.54018 63.546000 Cu 0.0361564 0.736928 0.5 263 63.546 0.000729672 -3.53946 63.546000 Cu 0.00495737 0.754222 0 262 63.546 6.82564e-05 -3.53925 63.546000 Cu 0.0714774 0.752809 2.448e-16 265 63.546 0.00166119 -3.53999 63.546000 Cu 0.0756034 0.786131 0 266 63.546 0.00186859 -3.53982 63.546000 Cu 0.0402983 0.77018 0.5 268 63.546 0.00059968 -3.53967 63.546000 Cu 0.0090802 0.787448 0 315 63.546 0.000187028 -3.53948 63.546000 Cu 0.106761 0.768627 0.5 267 63.546 0.00380175 -3.54033 63.546000 Cu 0.137873 0.750921 2.15433e-16 212 63.546 0.00525158 -3.54008 63.546000 Cu 0.204151 0.748191 1.05911e-17 215 63.546 0.00181535 -3.5395 63.546000 Cu 0.208177 0.781599 2.84035e-17 216 63.546 0.00273856 -3.54004 63.546000 Cu 0.173058 0.766356 0.5 218 63.546 0.00493552 -3.54008 63.546000 Cu 0.14197 0.784321 0 269 63.546 0.00623079 -3.54032 63.546000 Cu 0.270386 0.744974 2.448e-16 162 63.546 0.000597965 -3.53881 63.546000 Cu 0.30552 0.760024 0.5 168 63.546 0.00309026 -3.53819 63.546000 Cu 0.239268 0.763271 0.5 217 63.546 0.000302982 -3.53898 63.546000 Cu 0.274348 0.778269 0 219 63.546 0.000796554 -3.53832 63.546000 Cu 0.403123 0.739805 0 120 63.546 0.00310575 -3.53942 63.546000 Cu 0.336712 0.742002 4.79009e-17 165 63.546 0.00460355 -3.53863 63.546000 Cu 0.340701 0.77519 3.85132e-18 166 63.546 0.00572566 -3.53861 63.546000 Cu 0.3719 0.757402 0.5 167 63.546 0.00456929 -3.53923 63.546000 Cu 0.40717 0.772982 1.2228e-16 169 63.546 0.00353624 -3.53921 63.546000 Cu 0.438397 0.75557 0.5 126 63.546 0.00171791 -3.53958 63.546000 Cu 0.4425 0.78874 0.5 171 63.546 0.0020559 -3.53909 63.546000 Cu 0.536156 0.736928 0 86 63.546 0.000729672 -3.53946 63.546000 Cu 0.469634 0.738257 1.68736e-16 123 63.546 0.000390455 -3.53938 63.546000 Cu 0.473722 0.771464 7.36566e-17 124 63.546 0.000460327 -3.53941 63.546000 Cu 0.504957 0.754222 0.5 125 63.546 6.82564e-05 -3.53925 63.546000 Cu 0.540298 0.77018 0 127 63.546 0.00059968 -3.53967 63.546000 Cu 0.50908 0.787448 0.5 130 63.546 0.000187028 -3.53948 63.546000 Cu 0.606761 0.768627 1.16262e-16 90 63.546 0.00380175 -3.54033 63.546000 Cu 0.571477 0.752809 0.5 91 63.546 0.00166119 -3.53999 63.546000 Cu 0.575603 0.786131 0.5 129 63.546 0.00186859 -3.53982 63.546000 Cu 0.637873 0.750921 0.5 380 63.546 0.00525158 -3.54008 63.546000 Cu 0.64197 0.784321 0.5 384 63.546 0.00623079 -3.54032 63.546000 Cu 0.739268 0.763271 0 346 63.546 0.000302982 -3.53898 63.546000 Cu 0.704151 0.748191 0.5 348 63.546 0.00181535 -3.5395 63.546000 Cu 0.673058 0.766356 0 381 63.546 0.00493552 -3.54008 63.546000 Cu 0.708177 0.781599 0.5 383 63.546 0.00273856 -3.54004 63.546000 Cu 0.770386 0.744974 0.5 347 63.546 0.000597965 -3.53881 63.546000 Cu 0.774348 0.778269 0.5 352 63.546 0.000796554 -3.53832 63.546000 Cu 0.8719 0.757402 2.50336e-16 308 63.546 0.00456929 -3.53923 63.546000 Cu 0.836712 0.742002 0.5 310 63.546 0.00460355 -3.53863 63.546000 Cu 0.80552 0.760024 1.21798e-16 349 63.546 0.00309026 -3.53819 63.546000 Cu 0.840701 0.77519 0.5 351 63.546 0.00572566 -3.53861 63.546000 Cu 0.969634 0.738257 0.5 264 63.546 0.000390455 -3.53938 63.546000 Cu 0.903123 0.739805 0.5 309 63.546 0.00310575 -3.53942 63.546000 Cu 0.938397 0.75557 0 311 63.546 0.00171791 -3.53958 63.546000 Cu 0.973722 0.771464 0.5 313 63.546 0.000460327 -3.53941 63.546000 Cu 0.90717 0.772982 0.5 314 63.546 0.00353624 -3.53921 63.546000 Cu 0.9425 0.78874 7.07681e-17 312 63.546 0.0020559 -3.53909 63.546000 Cu 0.0134432 0.820704 0 316 63.546 0.000339595 -3.5389 63.546000 Cu 0.0444887 0.803477 0.5 317 63.546 0.000812707 -3.5393 63.546000 Cu 0.0799115 0.81951 1.71143e-16 319 63.546 0.00207108 -3.53901 63.546000 Cu 0.0490106 0.836829 0.5 322 63.546 0.000856589 -3.53851 63.546000 Cu 0.110902 0.802032 0.5 272 63.546 0.00449552 -3.53969 63.546000 Cu 0.146201 0.817818 0 270 63.546 0.00747699 -3.53993 63.546000 Cu 0.177145 0.799824 0.5 271 63.546 0.00657018 -3.54025 63.546000 Cu 0.181452 0.833441 0.5 276 63.546 0.0104501 -3.53996 63.546000 Cu 0.115346 0.835531 0.5 321 63.546 0.00477993 -3.53929 63.546000 Cu 0.212258 0.815133 0 273 63.546 0.00614034 -3.53991 63.546000 Cu 0.278375 0.811571 0 220 63.546 0.00165715 -3.53814 63.546000 Cu 0.309505 0.793224 0.5 221 63.546 0.00503412 -3.53741 63.546000 Cu 0.243256 0.796676 0.5 222 63.546 0.00109337 -3.53929 63.546000 Cu 0.313663 0.826332 0.5 226 63.546 0.0102341 -3.53528 63.546000 Cu 0.2474 0.830155 0.5 275 63.546 0.00324158 -3.53928 63.546000 Cu 0.41134 0.806084 1.57664e-16 170 63.546 0.00471404 -3.53841 63.546000 Cu 0.375975 0.790545 0.5 172 63.546 0.00546757 -3.53838 63.546000 Cu 0.344787 0.808283 0 223 63.546 0.00908422 -3.53686 63.546000 Cu 0.380244 0.823565 0.5 225 63.546 0.00828651 -3.53688 63.546000 Cu 0.415818 0.839112 1.23002e-16 227 63.546 0.00566828 -3.53793 63.546000 Cu 0.349124 0.841229 1 224 63.546 0.0176662 -3.53371 63.546000 Cu 0.544489 0.803477 0 128 63.546 0.000812707 -3.5393 63.546000 Cu 0.477927 0.804655 1.32871e-16 173 63.546 0.000810326 -3.53936 63.546000 Cu 0.482483 0.837856 2.30598e-16 174 63.546 0.000663258 -3.53871 63.546000 Cu 0.513443 0.820704 0.5 175 63.546 0.000339595 -3.5389 63.546000 Cu 0.446858 0.821872 0.5 176 63.546 0.00224596 -3.53905 63.546000 Cu 0.549011 0.836829 1.25168e-16 177 63.546 0.000856589 -3.53851 63.546000 Cu 0.610902 0.802032 1 131 63.546 0.00449552 -3.53969 63.546000 Cu 0.615346 0.835531 1 132 63.546 0.00477993 -3.53929 63.546000 Cu 0.579912 0.81951 0.5 133 63.546 0.00207108 -3.53901 63.546000 Cu 0.646201 0.817818 0.5 412 63.546 0.00747699 -3.53993 63.546000 Cu 0.677145 0.799824 7.17309e-17 382 63.546 0.00657018 -3.54025 63.546000 Cu 0.743256 0.796676 0 385 63.546 0.00109337 -3.53929 63.546000 Cu 0.7474 0.830155 0 386 63.546 0.00324158 -3.53928 63.546000 Cu 0.712258 0.815133 0.5 388 63.546 0.00614034 -3.53991 63.546000 Cu 0.681452 0.833441 0 413 63.546 0.0104501 -3.53996 63.546000 Cu 0.809505 0.793224 1.87511e-16 350 63.546 0.00503412 -3.53741 63.546000 Cu 0.875975 0.790545 0 353 63.546 0.00546757 -3.53838 63.546000 Cu 0.844787 0.808283 0.5 356 63.546 0.00908422 -3.53686 63.546000 Cu 0.778375 0.811571 0.5 387 63.546 0.00165715 -3.53814 63.546000 Cu 0.813663 0.826332 1.23002e-16 389 63.546 0.0102341 -3.53528 63.546000 Cu 0.880244 0.823565 0 354 63.546 0.00828651 -3.53688 63.546000 Cu 0.849124 0.841229 0.5 391 63.546 0.0176662 -3.53371 63.546000 Cu 0.977927 0.804655 0.5 318 63.546 0.000810326 -3.53936 63.546000 Cu 0.91134 0.806084 0.5 355 63.546 0.00471404 -3.53841 63.546000 Cu 0.946858 0.821872 0 357 63.546 0.00224596 -3.53905 63.546000 Cu 0.982483 0.837856 0.5 359 63.546 0.000663258 -3.53871 63.546000 Cu 0.915818 0.839112 0.5 360 63.546 0.00566828 -3.53793 63.546000 Cu 0.0845539 0.852994 0 320 63.546 0.00222293 -3.53812 63.546000 Cu 0.0181183 0.853995 0 361 63.546 0.000364274 -3.53834 63.546000 Cu 0.0227455 0.887332 3.24956e-17 362 63.546 0.000723833 -3.53843 63.546000 Cu 0.0537158 0.870248 0.5 363 63.546 0.00111028 -3.53777 63.546000 Cu 0.0891903 0.886566 1.40333e-16 365 63.546 0.00250244 -3.53665 63.546000 Cu 0.150744 0.851481 0 323 63.546 0.00993359 -3.53897 63.546000 Cu 0.155269 0.885336 4.06796e-17 324 63.546 0.0127823 -3.53629 63.546000 Cu 0.185974 0.867282 0.5 325 63.546 0.0189102 -3.5386 63.546000 Cu 0.12001 0.869164 0.5 326 63.546 0.00520913 -3.53715 63.546000 Cu 0.216624 0.848824 0 274 63.546 0.0127774 -3.53959 63.546000 Cu 0.220944 0.882824 1.2228e-16 327 63.546 0.0307721 -3.53621 63.546000 Cu 0.282597 0.84489 0 277 63.546 0.00380278 -3.53793 63.546000 Cu 0.286666 0.878341 0 278 63.546 0.0140177 -3.53631 63.546000 Cu 0.317931 0.859311 0.5 279 63.546 0.0278254 -3.52986 63.546000 Cu 0.251713 0.863798 0.5 280 63.546 0.00950835 -3.53773 63.546000 Cu 0.32196 0.892089 0.5 284 63.546 0.105139 -3.51734 63.546000 Cu 0.420393 0.87206 4.83823e-17 228 63.546 0.00680062 -3.53764 63.546000 Cu 0.384727 0.856444 0.5 230 63.546 0.0140193 -3.53516 63.546000 Cu 0.353453 0.873982 0 281 63.546 0.042986 -3.528 63.546000 Cu 0.389166 0.889177 0.5 283 63.546 0.0235844 -3.53383 63.546000 Cu 0.518118 0.853995 0.5 180 63.546 0.000364274 -3.53834 63.546000 Cu 0.451493 0.854966 0.5 229 63.546 0.00231109 -3.53885 63.546000 Cu 0.48715 0.871063 1.2228e-16 231 63.546 0.000795294 -3.53895 63.546000 Cu 0.522746 0.887332 0.5 233 63.546 0.000723833 -3.53843 63.546000 Cu 0.456053 0.888044 0.5 234 63.546 0.00207842 -3.53881 63.546000 Cu 0.553716 0.870248 0 178 63.546 0.00111028 -3.53777 63.546000 Cu 0.584554 0.852994 0.5 179 63.546 0.00222293 -3.53812 63.546000 Cu 0.62001 0.869164 0 181 63.546 0.00520913 -3.53715 63.546000 Cu 0.58919 0.886566 0.5 183 63.546 0.00250244 -3.53665 63.546000 Cu 0.650744 0.851481 0.5 416 63.546 0.00993359 -3.53897 63.546000 Cu 0.655269 0.885336 0.5 434 63.546 0.0127823 -3.53629 63.546000 Cu 0.685974 0.867282 6.0177e-18 414 63.546 0.0189102 -3.5386 63.546000 Cu 0.716624 0.848824 0.5 415 63.546 0.0127774 -3.53959 63.546000 Cu 0.751713 0.863798 0 417 63.546 0.00950835 -3.53773 63.546000 Cu 0.720944 0.882824 0.5 420 63.546 0.0307721 -3.53621 63.546000 Cu 0.817931 0.859311 0 390 63.546 0.0278254 -3.52986 63.546000 Cu 0.782597 0.84489 0.5 392 63.546 0.00380278 -3.53793 63.546000 Cu 0.853453 0.873982 0.5 396 63.546 0.042986 -3.528 63.546000 Cu 0.786666 0.878341 0.5 419 63.546 0.0140177 -3.53631 63.546000 Cu 0.82196 0.892089 1.64403e-16 421 63.546 0.105139 -3.51734 63.546000 Cu 0.884727 0.856444 4.19554e-16 393 63.546 0.0140193 -3.53516 63.546000 Cu 0.951493 0.854966 3.30251e-16 358 63.546 0.00231109 -3.53885 63.546000 Cu 0.98715 0.871063 0.5 364 63.546 0.000795294 -3.53895 63.546000 Cu 0.889166 0.889177 0 394 63.546 0.0235844 -3.53383 63.546000 Cu 0.920393 0.87206 0.5 395 63.546 0.00680062 -3.53764 63.546000 Cu 0.956053 0.888044 0 397 63.546 0.00207842 -3.53881 63.546000 Cu 0.0935741 0.920258 1 366 63.546 0.00321456 -3.53495 63.546000 Cu 0.0582234 0.903734 0.5 368 63.546 0.00135503 -3.53718 63.546000 Cu 0.0271108 0.920726 0 401 63.546 0.00308826 -3.53802 63.546000 Cu 0.0622783 0.93729 0.5 403 63.546 0.00951381 -3.53716 63.546000 Cu 0.190347 0.901463 0.5 330 63.546 0.0350308 -3.53499 63.546000 Cu 0.12453 0.902972 0.5 367 63.546 0.00573737 -3.53522 63.546000 Cu 0.159733 0.919524 0 369 63.546 0.0188829 -3.53083 63.546000 Cu 0.195042 0.936234 0.5 371 63.546 0.0821041 -3.52571 63.546000 Cu 0.128812 0.936919 0.5 372 63.546 0.0104368 -3.53159 63.546000 Cu 0.225057 0.917388 0 328 63.546 0.0774208 -3.52523 63.546000 Cu 0.25579 0.897786 0.5 329 63.546 0.0324325 -3.53154 63.546000 Cu 0.290149 0.912287 0 331 63.546 0.10538 -3.52482 63.546000 Cu 0.260042 0.93259 0.5 334 63.546 0.222181 -3.51428 63.546000 Cu 0.325791 0.924469 0.5 333 63.546 0.586872 -3.46947 63.546000 Cu 0.357569 0.906455 0 282 63.546 0.129153 -3.52119 63.546000 Cu 0.424838 0.904947 1.2228e-16 285 63.546 0.00673059 -3.53771 63.546000 Cu 0.429052 0.937836 1.2228e-16 286 63.546 0.0125321 -3.53893 63.546000 Cu 0.393592 0.921764 0.5 288 63.546 0.0347 -3.53425 63.546000 Cu 0.362117 0.938538 0 335 63.546 0.499087 -3.49612 63.546000 Cu 0.491639 0.904289 1.2228e-16 232 63.546 0.0011073 -3.539 63.546000 Cu 0.527111 0.920726 0.5 238 63.546 0.00308826 -3.53802 63.546000 Cu 0.46044 0.921123 0.5 287 63.546 0.00330423 -3.53973 63.546000 Cu 0.495684 0.93755 2.448e-16 289 63.546 0.00999758 -3.53979 63.546000 Cu 0.62453 0.902972 4.09203e-18 182 63.546 0.00573737 -3.53522 63.546000 Cu 0.558223 0.903734 0 235 63.546 0.00135503 -3.53718 63.546000 Cu 0.562278 0.93729 0 236 63.546 0.00951381 -3.53716 63.546000 Cu 0.593574 0.920258 0.5 237 63.546 0.00321456 -3.53495 63.546000 Cu 0.628812 0.936919 0 239 63.546 0.0104368 -3.53159 63.546000 Cu 0.659733 0.919524 0.5 438 63.546 0.0188829 -3.53083 63.546000 Cu 0.75579 0.897786 1.2228e-16 418 63.546 0.0324325 -3.53154 63.546000 Cu 0.690347 0.901463 3.65876e-17 435 63.546 0.0350308 -3.53499 63.546000 Cu 0.695042 0.936234 0 436 63.546 0.0821041 -3.52571 63.546000 Cu 0.725057 0.917388 0.5 437 63.546 0.0774208 -3.52523 63.546000 Cu 0.760042 0.93259 1 439 63.546 0.222181 -3.51428 63.546000 Cu 0.825791 0.924469 1.49961e-16 422 63.546 0.586872 -3.46947 63.546000 Cu 0.857569 0.906455 0.5 423 63.546 0.129153 -3.52119 63.546000 Cu 0.790149 0.912287 0.5 424 63.546 0.10538 -3.52482 63.546000 Cu 0.862117 0.938538 0.5 428 63.546 0.499087 -3.49612 63.546000 Cu 0.991639 0.904289 0.5 399 63.546 0.0011073 -3.539 63.546000 Cu 0.995684 0.93755 0.5 404 63.546 0.00999758 -3.53979 63.546000 Cu 0.96044 0.921123 0 398 63.546 0.00330423 -3.53973 63.546000 Cu 0.924838 0.904947 0.5 400 63.546 0.00673059 -3.53771 63.546000 Cu 0.893592 0.921764 1.00857e-16 425 63.546 0.0347 -3.53425 63.546000 Cu 0.929052 0.937836 0.5 427 63.546 0.0125321 -3.53893 63.546000 Cu 0.0303415 0.954148 0 402 63.546 0.0249093 -3.53862 63.546000 Cu 0.097024 0.953961 0 405 63.546 0.0267315 -3.53662 63.546000 Cu 0.0641284 0.970798 0.5 408 63.546 0.0382389 -3.54067 63.546000 Cu 0.0299564 0.987534 1.2252e-16 433 63.546 0.0213257 -3.53819 63.546000 Cu 0.0966582 0.987565 0 406 63.546 0.0242911 -3.5367 63.546000 Cu 0.163703 0.953781 4.06796e-17 370 63.546 0.037193 -3.52255 63.546000 Cu 0.198819 0.970823 0.5 376 63.546 0.223539 -3.5106 63.546000 Cu 0.131233 0.970749 0.5 407 63.546 0.072376 -3.53905 63.546000 Cu 0.163362 0.987775 0 409 63.546 0.036041 -3.5225 63.546000 Cu 0.292998 0.947905 0 332 63.546 5.92949 -3.45321 63.546000 Cu 0.229958 0.953243 1 373 63.546 0.342395 -3.4937 63.546000 Cu 0.229622 0.98842 0 374 63.546 0.338012 -3.49428 63.546000 Cu 0.268022 0.970802 0.5 375 63.546 4.57889 -3.57139 63.546000 Cu 0.29259 0.993868 1.2228e-16 377 63.546 5.9114 -3.45556 63.546000 Cu 0.33131 0.955604 0.5 338 63.546 5.9501 -3.26747 63.546000 Cu 0.330815 0.985876 0.5 378 63.546 5.85687 -3.27441 63.546000 Cu 0.364686 0.970814 0 336 63.546 3.22873 -3.47846 63.546000 Cu 0.397645 0.954405 0.5 337 63.546 0.0624733 -3.53222 63.546000 Cu 0.430937 0.970849 0 339 63.546 0.0337166 -3.54123 63.546000 Cu 0.397253 0.987252 0.5 341 63.546 0.0586171 -3.53183 63.546000 Cu 0.497408 0.970849 0 290 63.546 0.031487 -3.54038 63.546000 Cu 0.530342 0.954148 0.5 291 63.546 0.0249093 -3.53862 63.546000 Cu 0.46383 0.954281 0.5 292 63.546 0.0291336 -3.53864 63.546000 Cu 0.529956 0.987534 0.5 295 63.546 0.0213257 -3.53819 63.546000 Cu 0.463448 0.987455 0.5 340 63.546 0.0254245 -3.53855 63.546000 Cu 0.631233 0.970749 3.82725e-17 240 63.546 0.072376 -3.53905 63.546000 Cu 0.597024 0.953961 0.5 241 63.546 0.0267315 -3.53662 63.546000 Cu 0.564128 0.970798 0 293 63.546 0.0382389 -3.54067 63.546000 Cu 0.596658 0.987565 0.5 294 63.546 0.0242911 -3.5367 63.546000 Cu 0.663703 0.953781 0.5 448 63.546 0.037193 -3.52255 63.546000 Cu 0.663362 0.987775 0.5 452 63.546 0.036041 -3.5225 63.546000 Cu 0.729958 0.953243 0.5 442 63.546 0.342395 -3.4937 63.546000 Cu 0.768022 0.970802 0 440 63.546 4.57889 -3.57139 63.546000 Cu 0.698819 0.970823 0 449 63.546 0.223539 -3.5106 63.546000 Cu 0.729622 0.98842 0.5 451 63.546 0.338012 -3.49428 63.546000 Cu 0.792998 0.947905 0.5 441 63.546 5.92949 -3.45321 63.546000 Cu 0.83131 0.955604 0 443 63.546 5.9501 -3.26747 63.546000 Cu 0.830815 0.985876 1.22039e-16 444 63.546 5.85687 -3.27441 63.546000 Cu 0.864686 0.970814 0.5 445 63.546 3.22873 -3.47846 63.546000 Cu 0.79259 0.993868 0.5 446 63.546 5.9114 -3.45556 63.546000 Cu 0.997408 0.970849 0.5 431 63.546 0.031487 -3.54038 63.546000 Cu 0.897645 0.954405 0 426 63.546 0.0624733 -3.53222 63.546000 Cu 0.96383 0.954281 0 429 63.546 0.0291336 -3.53864 63.546000 Cu 0.963448 0.987455 1.22761e-16 430 63.546 0.0254245 -3.53855 63.546000 Cu 0.930937 0.970849 0.5 432 63.546 0.0337166 -3.54123 63.546000 Cu 0.897253 0.987252 3.6732e-16 447 63.546 0.0586171 -3.53183