Number of particles = 896 A = 1 Angstrom (basic length-scale) H0(1,1) = 38.4563 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) = 3.60341 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 0.0262138 0.0209716 3.00883e-17 585 63.546 0.00185491 -3.53704 63.546000 Cu 0.0927099 0.021307 5.4881e-17 586 63.546 0.00302709 -3.53454 63.546000 Cu 0.0616141 0.00432677 0.5 587 63.546 0.00755216 -3.53662 63.546000 Cu 0.0571845 0.0379139 0.5 588 63.546 0.000975799 -3.53685 63.546000 Cu 0.128135 0.00458145 0.5 589 63.546 0.00957156 -3.53125 63.546000 Cu 0.123496 0.0385503 0.5 633 63.546 0.00739221 -3.53469 63.546000 Cu 0.158853 0.0220173 9.05055e-17 635 63.546 0.0197419 -3.53019 63.546000 Cu 0.194323 0.00536889 0.5 637 63.546 0.0749176 -3.52503 63.546000 Cu 0.18929 0.0400967 0.5 638 63.546 0.0340936 -3.53445 63.546000 Cu 0.224177 0.02423 5.4881e-17 636 63.546 0.0730706 -3.52618 63.546000 Cu 0.259268 0.00901858 0.5 639 63.546 0.222531 -3.51477 63.546000 Cu 0.254756 0.043778 0.5 691 63.546 0.0326088 -3.53228 63.546000 Cu 0.289283 0.0293175 5.4881e-17 693 63.546 0.0936749 -3.52594 63.546000 Cu 0.324945 0.0170578 0.5 695 63.546 0.52905 -3.47368 63.546000 Cu 0.320922 0.0494949 0.5 696 63.546 0.0976029 -3.51878 63.546000 Cu 0.36143 0.00304712 3.29767e-17 455 63.546 0.463636 -3.49614 63.546000 Cu 0.428373 0.00387675 5.4881e-17 456 63.546 0.0110371 -3.53862 63.546000 Cu 0.392727 0.0199006 0.5 457 63.546 0.0361604 -3.5344 63.546000 Cu 0.388059 0.0524995 0.5 459 63.546 0.0234581 -3.53381 63.546000 Cu 0.42383 0.036781 1.99786e-17 461 63.546 0.00823032 -3.53741 63.546000 Cu 0.356585 0.0351482 0 694 63.546 0.122584 -3.52221 63.546000 Cu 0.490627 0.0374474 0 462 63.546 0.0011528 -3.53825 63.546000 Cu 0.459558 0.020613 0.5 463 63.546 0.00295787 -3.53935 63.546000 Cu 0.495038 0.00415376 5.03076e-17 465 63.546 0.0083276 -3.539 63.546000 Cu 0.526214 0.0209716 0.5 467 63.546 0.00185491 -3.53704 63.546000 Cu 0.561614 0.00432677 0 466 63.546 0.00755216 -3.53662 63.546000 Cu 0.557185 0.0379139 0 479 63.546 0.000975799 -3.53685 63.546000 Cu 0.623496 0.0385503 1.44905e-16 480 63.546 0.00739221 -3.53469 63.546000 Cu 0.59271 0.021307 0.5 481 63.546 0.00302709 -3.53454 63.546000 Cu 0.628135 0.00458145 1.22519e-16 483 63.546 0.00957156 -3.53125 63.546000 Cu 0.658853 0.0220173 0.5 485 63.546 0.0197419 -3.53019 63.546000 Cu 0.694323 0.00536889 5.4881e-17 484 63.546 0.0749176 -3.52503 63.546000 Cu 0.68929 0.0400967 2.40706e-19 505 63.546 0.0340936 -3.53445 63.546000 Cu 0.754756 0.043778 6.35464e-17 506 63.546 0.0326088 -3.53228 63.546000 Cu 0.724177 0.02423 0.5 507 63.546 0.0730706 -3.52618 63.546000 Cu 0.759268 0.00901858 4.81412e-19 509 63.546 0.222531 -3.51477 63.546000 Cu 0.824945 0.0170578 5.4881e-17 510 63.546 0.52905 -3.47368 63.546000 Cu 0.789283 0.0293175 0.5 511 63.546 0.0936749 -3.52594 63.546000 Cu 0.86143 0.00304712 0.5 512 63.546 0.463636 -3.49614 63.546000 Cu 0.820922 0.0494949 0 539 63.546 0.0976029 -3.51878 63.546000 Cu 0.888059 0.0524995 5.4881e-17 540 63.546 0.0234581 -3.53381 63.546000 Cu 0.856585 0.0351482 0.5 541 63.546 0.122584 -3.52221 63.546000 Cu 0.892727 0.0199006 5.4881e-17 543 63.546 0.0361604 -3.5344 63.546000 Cu 0.959558 0.020613 5.4881e-17 544 63.546 0.00295787 -3.53935 63.546000 Cu 0.928373 0.00387675 0.5 545 63.546 0.0110371 -3.53862 63.546000 Cu 0.92383 0.036781 0.5 546 63.546 0.00823032 -3.53741 63.546000 Cu 0.995038 0.00415376 0.5 547 63.546 0.0083276 -3.539 63.546000 Cu 0.990627 0.0374474 0.5 583 63.546 0.0011528 -3.53825 63.546000 Cu 0.021629 0.0544001 0 582 63.546 0.00070474 -3.53784 63.546000 Cu 0.0170161 0.0877886 5.4881e-17 627 63.546 0.000524612 -3.53879 63.546000 Cu 0.0834313 0.088696 5.4881e-17 628 63.546 0.00222834 -3.53796 63.546000 Cu 0.0525812 0.0714597 0.5 629 63.546 0.00082484 -3.53755 63.546000 Cu 0.0880782 0.0550554 0 631 63.546 0.00245878 -3.53677 63.546000 Cu 0.0479337 0.104955 0.5 630 63.546 0.000600523 -3.53858 63.546000 Cu 0.118855 0.0724179 0.5 634 63.546 0.00649618 -3.53733 63.546000 Cu 0.154156 0.0562027 7.5341e-17 632 63.546 0.0145065 -3.53638 63.546000 Cu 0.14959 0.0901186 5.4881e-17 685 63.546 0.0108913 -3.53877 63.546000 Cu 0.215453 0.0927593 5.77694e-17 686 63.546 0.012898 -3.53934 63.546000 Cu 0.184812 0.0742745 0.5 687 63.546 0.019677 -3.53874 63.546000 Cu 0.219857 0.0587476 5.4881e-17 689 63.546 0.0292899 -3.53634 63.546000 Cu 0.285585 0.0632383 5.4881e-17 690 63.546 0.0130151 -3.5364 63.546000 Cu 0.250566 0.0777671 0.5 692 63.546 0.0102966 -3.53778 63.546000 Cu 0.281447 0.096697 4.81412e-19 747 63.546 0.00366099 -3.53725 63.546000 Cu 0.316792 0.0823128 0.5 749 63.546 0.0273515 -3.53017 63.546000 Cu 0.419278 0.0696836 0 458 63.546 0.0079391 -3.53752 63.546000 Cu 0.383618 0.0852608 0.5 460 63.546 0.0140111 -3.53512 63.546000 Cu 0.414722 0.102646 0 471 63.546 0.0061155 -3.53793 63.546000 Cu 0.348003 0.10044 5.4881e-17 748 63.546 0.0174084 -3.5339 63.546000 Cu 0.35238 0.0676742 5.4881e-17 751 63.546 0.0429018 -3.52864 63.546000 Cu 0.450388 0.0868161 0.5 473 63.546 0.00311859 -3.53868 63.546000 Cu 0.454939 0.0537066 0.5 464 63.546 0.00260512 -3.53848 63.546000 Cu 0.481378 0.103948 5.4881e-17 472 63.546 0.000939947 -3.53911 63.546000 Cu 0.486029 0.0706909 5.4881e-17 475 63.546 0.000912578 -3.53895 63.546000 Cu 0.552581 0.0714597 1.22519e-16 476 63.546 0.00082484 -3.53755 63.546000 Cu 0.521629 0.0544001 0.5 477 63.546 0.00070474 -3.53784 63.546000 Cu 0.517016 0.0877886 0.5 478 63.546 0.000524612 -3.53879 63.546000 Cu 0.547934 0.104955 2.40706e-19 497 63.546 0.000600523 -3.53858 63.546000 Cu 0.588078 0.0550554 0.5 482 63.546 0.00245878 -3.53677 63.546000 Cu 0.583431 0.088696 0.5 499 63.546 0.00222834 -3.53796 63.546000 Cu 0.618855 0.0724179 5.4881e-17 501 63.546 0.00649618 -3.53733 63.546000 Cu 0.654156 0.0562027 0.5 503 63.546 0.0145065 -3.53638 63.546000 Cu 0.64959 0.0901186 0.5 504 63.546 0.0108913 -3.53877 63.546000 Cu 0.684812 0.0742745 5.4881e-17 502 63.546 0.019677 -3.53874 63.546000 Cu 0.719857 0.0587476 0.5 508 63.546 0.0292899 -3.53634 63.546000 Cu 0.715453 0.0927593 0.5 533 63.546 0.012898 -3.53934 63.546000 Cu 0.750566 0.0777671 5.4881e-17 535 63.546 0.0102966 -3.53778 63.546000 Cu 0.785585 0.0632383 0.5 537 63.546 0.0130151 -3.5364 63.546000 Cu 0.781447 0.096697 0.5 538 63.546 0.00366099 -3.53725 63.546000 Cu 0.816792 0.0823128 2.44798e-16 536 63.546 0.0273515 -3.53017 63.546000 Cu 0.85238 0.0676742 0.5 542 63.546 0.0429018 -3.52864 63.546000 Cu 0.848003 0.10044 0.5 575 63.546 0.0174084 -3.5339 63.546000 Cu 0.883618 0.0852608 5.4881e-17 577 63.546 0.0140111 -3.53512 63.546000 Cu 0.950388 0.0868161 4.81412e-19 578 63.546 0.00311859 -3.53868 63.546000 Cu 0.919278 0.0696836 0.5 579 63.546 0.0079391 -3.53752 63.546000 Cu 0.914722 0.102646 0.5 580 63.546 0.0061155 -3.53793 63.546000 Cu 0.954939 0.0537066 3.2736e-17 581 63.546 0.00260512 -3.53848 63.546000 Cu 0.986029 0.0706909 0.5 584 63.546 0.000912578 -3.53895 63.546000 Cu 0.981378 0.103948 0.5 625 63.546 0.000939947 -3.53911 63.546000 Cu 0.0123986 0.12114 5.4881e-17 624 63.546 0.00034573 -3.53901 63.546000 Cu 0.0743961 0.155713 1.52367e-16 678 63.546 0.00163223 -3.53958 63.546000 Cu 0.043392 0.138378 0.5 679 63.546 0.000374908 -3.5389 63.546000 Cu 0.0788392 0.122256 1.72105e-16 681 63.546 0.00182042 -3.53884 63.546000 Cu 0.109783 0.139727 0.5 684 63.546 0.00446318 -3.5396 63.546000 Cu 0.00790308 0.154449 2.44798e-16 677 63.546 0.000132981 -3.53919 63.546000 Cu 0.114249 0.106137 0.5 683 63.546 0.00534778 -3.53886 63.546000 Cu 0.14507 0.123843 4.81412e-19 682 63.546 0.0082795 -3.53973 63.546000 Cu 0.180299 0.10816 0.5 688 63.546 0.0113217 -3.53946 63.546000 Cu 0.175944 0.141848 0.5 741 63.546 0.00665866 -3.54021 63.546000 Cu 0.211102 0.12648 5.4881e-17 743 63.546 0.00655768 -3.54004 63.546000 Cu 0.140704 0.15743 1.11928e-16 739 63.546 0.00600971 -3.54013 63.546000 Cu 0.27723 0.130036 4.69377e-17 744 63.546 0.00128835 -3.53797 63.546000 Cu 0.246247 0.111425 0.5 745 63.546 0.00385726 -3.53907 63.546000 Cu 0.242023 0.14493 0.5 746 63.546 0.00171659 -3.53909 63.546000 Cu 0.312508 0.115293 0.5 750 63.546 0.00919354 -3.53495 63.546000 Cu 0.30829 0.148415 0.5 795 63.546 0.0039177 -3.53731 63.546000 Cu 0.410228 0.135702 1.22519e-16 468 63.546 0.0048721 -3.53889 63.546000 Cu 0.379133 0.118169 0.5 469 63.546 0.0088126 -3.5374 63.546000 Cu 0.374771 0.151218 0.5 470 63.546 0.00605728 -3.53856 63.546000 Cu 0.441335 0.153107 0.5 491 63.546 0.00222825 -3.53952 63.546000 Cu 0.343659 0.133405 4.81412e-19 797 63.546 0.00867844 -3.53679 63.546000 Cu 0.445789 0.11994 0.5 474 63.546 0.00262642 -3.5392 63.546000 Cu 0.476856 0.137194 0 493 63.546 0.000826292 -3.5394 63.546000 Cu 0.543392 0.138378 5.4881e-17 494 63.546 0.000374908 -3.5389 63.546000 Cu 0.512399 0.12114 0.5 495 63.546 0.00034573 -3.53901 63.546000 Cu 0.507903 0.154449 0.5 496 63.546 0.000132981 -3.53919 63.546000 Cu 0.614249 0.106137 1.2276e-16 498 63.546 0.00534778 -3.53886 63.546000 Cu 0.578839 0.122256 0.5 500 63.546 0.00182042 -3.53884 63.546000 Cu 0.574396 0.155713 0.5 525 63.546 0.00163223 -3.53958 63.546000 Cu 0.609783 0.139727 5.4881e-17 527 63.546 0.00446318 -3.5396 63.546000 Cu 0.64507 0.123843 0.5 529 63.546 0.0082795 -3.53973 63.546000 Cu 0.640704 0.15743 0.5 530 63.546 0.00600971 -3.54013 63.546000 Cu 0.675944 0.141848 8.59321e-17 528 63.546 0.00665866 -3.54021 63.546000 Cu 0.680299 0.10816 4.57341e-18 531 63.546 0.0113217 -3.53946 63.546000 Cu 0.746247 0.111425 1.12169e-16 532 63.546 0.00385726 -3.53907 63.546000 Cu 0.711102 0.12648 0.5 534 63.546 0.00655768 -3.54004 63.546000 Cu 0.742023 0.14493 6.98048e-18 569 63.546 0.00171659 -3.53909 63.546000 Cu 0.77723 0.130036 0.5 571 63.546 0.00128835 -3.53797 63.546000 Cu 0.80829 0.148415 4.81412e-19 570 63.546 0.0039177 -3.53731 63.546000 Cu 0.812508 0.115293 6.18615e-17 573 63.546 0.00919354 -3.53495 63.546000 Cu 0.879133 0.118169 4.81412e-19 574 63.546 0.0088126 -3.5374 63.546000 Cu 0.843659 0.133405 0.5 576 63.546 0.00867844 -3.53679 63.546000 Cu 0.874771 0.151218 1.56218e-16 619 63.546 0.00605728 -3.53856 63.546000 Cu 0.941335 0.153107 0 620 63.546 0.00222825 -3.53952 63.546000 Cu 0.910228 0.135702 0.5 621 63.546 0.0048721 -3.53889 63.546000 Cu 0.945789 0.11994 0 623 63.546 0.00262642 -3.5392 63.546000 Cu 0.976856 0.137194 0.5 626 63.546 0.000826292 -3.5394 63.546000 Cu 0.0389453 0.171742 0.5 680 63.546 0.000264036 -3.53952 63.546000 Cu 0.0344343 0.205076 0.5 733 63.546 0.000212805 -3.53955 63.546000 Cu 0.0699416 0.189103 1.41294e-16 735 63.546 0.0014499 -3.53965 63.546000 Cu 0.105376 0.173209 0.5 737 63.546 0.00345814 -3.53992 63.546000 Cu 0.100882 0.206587 0.5 738 63.546 0.00321629 -3.53974 63.546000 Cu 0.00344971 0.187758 1.98101e-16 674 63.546 7.7347e-05 -3.53932 63.546000 Cu 0.136316 0.190883 2.40706e-19 736 63.546 0.00484929 -3.54012 63.546000 Cu 0.206876 0.160046 2.11821e-17 740 63.546 0.00351835 -3.53962 63.546000 Cu 0.17166 0.175363 0.5 742 63.546 0.00504708 -3.54018 63.546000 Cu 0.167203 0.208754 0.5 787 63.546 0.00448242 -3.53993 63.546000 Cu 0.202589 0.193469 4.81412e-19 789 63.546 0.0026626 -3.5398 63.546000 Cu 0.26883 0.196641 1.3961e-17 790 63.546 0.000234984 -3.53915 63.546000 Cu 0.23788 0.178343 0.5 791 63.546 0.00098408 -3.53893 63.546000 Cu 0.273061 0.163346 1.23001e-16 793 63.546 0.000400794 -3.53819 63.546000 Cu 0.304166 0.181639 0.5 796 63.546 0.00253498 -3.53832 63.546000 Cu 0.339431 0.16652 1.86547e-16 794 63.546 0.00537149 -3.53855 63.546000 Cu 0.335148 0.199745 1.23964e-16 835 63.546 0.00456933 -3.5391 63.546000 Cu 0.401519 0.202084 0 486 63.546 0.00372178 -3.53901 63.546000 Cu 0.370525 0.184397 0.5 487 63.546 0.00510152 -3.53909 63.546000 Cu 0.405904 0.168845 0 489 63.546 0.00382298 -3.5396 63.546000 Cu 0.436971 0.186332 0.5 492 63.546 0.00190538 -3.53912 63.546000 Cu 0.472431 0.170446 5.4881e-17 490 63.546 0.000727012 -3.53938 63.546000 Cu 0.467955 0.203732 1.51645e-17 519 63.546 0.000758577 -3.53897 63.546000 Cu 0.534434 0.205076 5.4881e-17 520 63.546 0.000212805 -3.53955 63.546000 Cu 0.50345 0.187758 0.5 521 63.546 7.7347e-05 -3.53932 63.546000 Cu 0.538945 0.171742 2.23857e-17 523 63.546 0.000264036 -3.53952 63.546000 Cu 0.605376 0.173209 0 524 63.546 0.00345814 -3.53992 63.546000 Cu 0.569942 0.189103 0.5 526 63.546 0.0014499 -3.53965 63.546000 Cu 0.600882 0.206587 0 561 63.546 0.00321629 -3.53974 63.546000 Cu 0.636316 0.190883 0.5 563 63.546 0.00484929 -3.54012 63.546000 Cu 0.667203 0.208754 5.4881e-17 562 63.546 0.00448242 -3.53993 63.546000 Cu 0.67166 0.175363 1.2276e-16 565 63.546 0.00504708 -3.54018 63.546000 Cu 0.73788 0.178343 5.53624e-18 566 63.546 0.00098408 -3.53893 63.546000 Cu 0.706876 0.160046 0.5 567 63.546 0.00351835 -3.53962 63.546000 Cu 0.702589 0.193469 0.5 568 63.546 0.0026626 -3.5398 63.546000 Cu 0.773061 0.163346 0.5 572 63.546 0.000400794 -3.53819 63.546000 Cu 0.76883 0.196641 0.5 613 63.546 0.000234984 -3.53915 63.546000 Cu 0.804166 0.181639 4.81412e-19 615 63.546 0.00253498 -3.53832 63.546000 Cu 0.870525 0.184397 5.4881e-17 616 63.546 0.00510152 -3.53909 63.546000 Cu 0.839431 0.16652 0.5 617 63.546 0.00537149 -3.53855 63.546000 Cu 0.835148 0.199745 0.5 618 63.546 0.00456933 -3.5391 63.546000 Cu 0.905904 0.168845 0.5 622 63.546 0.00382298 -3.5396 63.546000 Cu 0.901519 0.202084 0.5 671 63.546 0.00372178 -3.53901 63.546000 Cu 0.936971 0.186332 5.4881e-17 673 63.546 0.00190538 -3.53912 63.546000 Cu 0.972431 0.170446 0.5 675 63.546 0.000727012 -3.53938 63.546000 Cu 0.967955 0.203732 0.5 676 63.546 0.000758577 -3.53897 63.546000 Cu 0.0653886 0.22244 5.4881e-17 732 63.546 0.00136071 -3.53952 63.546000 Cu 0.0298402 0.238386 0.5 734 63.546 0.000219537 -3.53928 63.546000 Cu 0.0607476 0.25573 5.4881e-17 781 63.546 0.00112556 -3.53905 63.546000 Cu 0.0962837 0.239896 0.5 783 63.546 0.00314767 -3.53899 63.546000 Cu 0.127197 0.257493 1.92565e-18 782 63.546 0.00500852 -3.53884 63.546000 Cu 0.131768 0.224237 5.4881e-17 785 63.546 0.00438004 -3.53927 63.546000 Cu 0.198055 0.226813 2.40706e-19 786 63.546 0.00253385 -3.53914 63.546000 Cu 0.162611 0.242056 0.5 788 63.546 0.00480011 -3.53851 63.546000 Cu 0.193536 0.26008 0 827 63.546 0.003689 -3.53838 63.546000 Cu 0.228887 0.245014 0.5 829 63.546 0.000846535 -3.53912 63.546000 Cu 0.233457 0.211693 0.5 792 63.546 0.000612088 -3.53963 63.546000 Cu 0.2643 0.229981 5.4881e-17 831 63.546 7.36084e-05 -3.53973 63.546000 Cu 0.330526 0.233061 5.4881e-17 832 63.546 0.00451299 -3.54016 63.546000 Cu 0.299714 0.214913 0.5 833 63.546 0.00178741 -3.5398 63.546000 Cu 0.295093 0.248271 0.5 834 63.546 0.0020654 -3.53956 63.546000 Cu 0.36603 0.21765 0.5 488 63.546 0.0044554 -3.53986 63.546000 Cu 0.361324 0.251002 0.5 514 63.546 0.00493702 -3.5402 63.546000 Cu 0.396857 0.235377 0 515 63.546 0.00330943 -3.54002 63.546000 Cu 0.432441 0.2196 0.5 517 63.546 0.0016231 -3.53933 63.546000 Cu 0.427711 0.252918 0.5 518 63.546 0.00162229 -3.5396 63.546000 Cu 0.463322 0.237034 0 516 63.546 0.000771368 -3.53932 63.546000 Cu 0.498905 0.221073 0.5 522 63.546 0.000132851 -3.53935 63.546000 Cu 0.494222 0.254365 0.5 555 63.546 7.31722e-05 -3.53915 63.546000 Cu 0.52984 0.238386 8.85798e-17 557 63.546 0.000219537 -3.53928 63.546000 Cu 0.560748 0.25573 0.5 560 63.546 0.00112556 -3.53905 63.546000 Cu 0.596284 0.239896 5.4881e-17 558 63.546 0.00314767 -3.53899 63.546000 Cu 0.565389 0.22244 0.5 559 63.546 0.00136071 -3.53952 63.546000 Cu 0.631768 0.224237 0.5 564 63.546 0.00438004 -3.53927 63.546000 Cu 0.627197 0.257493 0.5 605 63.546 0.00500852 -3.53884 63.546000 Cu 0.662611 0.242056 5.4881e-17 607 63.546 0.00480011 -3.53851 63.546000 Cu 0.728887 0.245014 5.4881e-17 608 63.546 0.000846535 -3.53912 63.546000 Cu 0.698055 0.226813 0.5 609 63.546 0.00253385 -3.53914 63.546000 Cu 0.693536 0.26008 0.5 610 63.546 0.003689 -3.53838 63.546000 Cu 0.733457 0.211693 2.40706e-19 611 63.546 0.000612088 -3.53963 63.546000 Cu 0.7643 0.229981 0.5 614 63.546 7.36084e-05 -3.53973 63.546000 Cu 0.799714 0.214913 9.24311e-17 612 63.546 0.00178741 -3.5398 63.546000 Cu 0.795093 0.248271 2.17117e-16 665 63.546 0.0020654 -3.53956 63.546000 Cu 0.861324 0.251002 5.4881e-17 666 63.546 0.00493702 -3.5402 63.546000 Cu 0.830526 0.233061 0.5 667 63.546 0.00451299 -3.54016 63.546000 Cu 0.86603 0.21765 4.81412e-19 669 63.546 0.0044554 -3.53986 63.546000 Cu 0.896857 0.235377 0.5 672 63.546 0.00330943 -3.54002 63.546000 Cu 0.932441 0.2196 0 670 63.546 0.0016231 -3.53933 63.546000 Cu 0.927711 0.252918 5.4881e-17 727 63.546 0.00162229 -3.5396 63.546000 Cu 0.994222 0.254365 4.81412e-19 728 63.546 7.31722e-05 -3.53915 63.546000 Cu 0.963322 0.237034 0.5 729 63.546 0.000771368 -3.53932 63.546000 Cu 0.998905 0.221073 4.81412e-19 731 63.546 0.000132851 -3.53935 63.546000 Cu 0.0561328 0.288933 1.27093e-16 778 63.546 0.00143866 -3.5392 63.546000 Cu 0.0251579 0.27165 0.5 779 63.546 0.000238292 -3.53912 63.546000 Cu 0.0205445 0.304874 0.5 780 63.546 0.000537791 -3.53901 63.546000 Cu 0.0917041 0.273126 0.5 784 63.546 0.00336246 -3.53933 63.546000 Cu 0.0871854 0.306264 0.5 821 63.546 0.00397486 -3.53909 63.546000 Cu 0.122729 0.290659 5.4881e-17 823 63.546 0.00617011 -3.53889 63.546000 Cu 0.189202 0.293302 2.40706e-19 824 63.546 0.00578688 -3.53737 63.546000 Cu 0.158182 0.275277 0.5 825 63.546 0.00610005 -3.53851 63.546000 Cu 0.153805 0.308388 0.5 826 63.546 0.00983146 -3.53666 63.546000 Cu 0.220241 0.311668 0.5 859 63.546 0.00206539 -3.53809 63.546000 Cu 0.224513 0.278335 0.5 830 63.546 0.00105282 -3.53868 63.546000 Cu 0.259772 0.263352 9.62824e-18 828 63.546 0.000367048 -3.53909 63.546000 Cu 0.255439 0.296776 5.4881e-17 861 63.546 0.00104075 -3.53934 63.546000 Cu 0.321507 0.299976 4.81412e-19 862 63.546 0.00685616 -3.53999 63.546000 Cu 0.29066 0.2817 0.5 863 63.546 0.00272564 -3.53943 63.546000 Cu 0.286328 0.315278 0.5 864 63.546 0.00573169 -3.54016 63.546000 Cu 0.325922 0.266462 1.23001e-16 865 63.546 0.00537902 -3.53971 63.546000 Cu 0.392176 0.268738 7.58224e-17 513 63.546 0.00352094 -3.54 63.546000 Cu 0.38765 0.302216 1.23001e-16 549 63.546 0.00457309 -3.53918 63.546000 Cu 0.423062 0.286299 0.5 551 63.546 0.00203519 -3.53944 63.546000 Cu 0.356801 0.284455 0.5 866 63.546 0.00611349 -3.53983 63.546000 Cu 0.454002 0.303684 2.40706e-19 550 63.546 0.000878791 -3.5391 63.546000 Cu 0.458599 0.270327 5.3196e-17 553 63.546 0.000614733 -3.53954 63.546000 Cu 0.525158 0.27165 1.22279e-16 554 63.546 0.000238292 -3.53912 63.546000 Cu 0.489533 0.287649 0.5 556 63.546 0.00028442 -3.5393 63.546000 Cu 0.520544 0.304874 0 599 63.546 0.000537791 -3.53901 63.546000 Cu 0.556133 0.288933 0.5 601 63.546 0.00143866 -3.5392 63.546000 Cu 0.587185 0.306264 3.12918e-17 600 63.546 0.00397486 -3.53909 63.546000 Cu 0.591704 0.273126 5.4881e-17 603 63.546 0.00336246 -3.53933 63.546000 Cu 0.658182 0.275277 4.81412e-19 604 63.546 0.00610005 -3.53851 63.546000 Cu 0.622729 0.290659 0.5 606 63.546 0.00617011 -3.53889 63.546000 Cu 0.653805 0.308388 5.19925e-17 657 63.546 0.00983146 -3.53666 63.546000 Cu 0.720241 0.311668 5.4881e-17 658 63.546 0.00206539 -3.53809 63.546000 Cu 0.689202 0.293302 0.5 659 63.546 0.00578688 -3.53737 63.546000 Cu 0.724513 0.278335 0 661 63.546 0.00105282 -3.53868 63.546000 Cu 0.759772 0.263352 0.5 663 63.546 0.000367048 -3.53909 63.546000 Cu 0.755439 0.296776 0.5 664 63.546 0.00104075 -3.53934 63.546000 Cu 0.786328 0.315278 0 719 63.546 0.00573169 -3.54016 63.546000 Cu 0.79066 0.2817 5.4881e-17 662 63.546 0.00272564 -3.53943 63.546000 Cu 0.825922 0.266462 0.5 668 63.546 0.00537902 -3.53971 63.546000 Cu 0.821507 0.299976 0.5 721 63.546 0.00685616 -3.53999 63.546000 Cu 0.856801 0.284455 4.81412e-19 723 63.546 0.00611349 -3.53983 63.546000 Cu 0.88765 0.302216 0.5 726 63.546 0.00457309 -3.53918 63.546000 Cu 0.892176 0.268738 0.5 725 63.546 0.00352094 -3.54 63.546000 Cu 0.923062 0.286299 4.81412e-19 724 63.546 0.00203519 -3.53944 63.546000 Cu 0.958599 0.270327 0.5 730 63.546 0.000614733 -3.53954 63.546000 Cu 0.954002 0.303684 0.5 775 63.546 0.000878791 -3.5391 63.546000 Cu 0.989533 0.287649 4.81412e-19 777 63.546 0.00028442 -3.5393 63.546000 Cu 0.0472921 0.355193 2.33485e-16 816 63.546 0.00236086 -3.53892 63.546000 Cu 0.0161095 0.338098 0.5 817 63.546 0.000769393 -3.53845 63.546000 Cu 0.0516448 0.322086 5.4881e-17 819 63.546 0.0017841 -3.5389 63.546000 Cu 0.0828025 0.339314 0.5 822 63.546 0.00502655 -3.538 63.546000 Cu 0.118327 0.3237 1.23001e-16 820 63.546 0.00903575 -3.53748 63.546000 Cu 0.114104 0.356609 1.47071e-16 853 63.546 0.0137661 -3.53501 63.546000 Cu 0.180983 0.359408 6.73977e-18 854 63.546 0.0334524 -3.52956 63.546000 Cu 0.14958 0.341347 0.5 855 63.546 0.0197684 -3.53399 63.546000 Cu 0.184966 0.326421 2.40706e-19 857 63.546 0.0127496 -3.53494 63.546000 Cu 0.216204 0.345027 0.5 860 63.546 0.00447459 -3.53691 63.546000 Cu 0.251255 0.33031 4.81412e-19 858 63.546 0.00334242 -3.53903 63.546000 Cu 0.247271 0.363998 2.36614e-16 882 63.546 0.0099169 -3.53686 63.546000 Cu 0.313023 0.367575 5.60845e-17 883 63.546 0.0204821 -3.5387 63.546000 Cu 0.282211 0.349043 0.5 884 63.546 0.013403 -3.53935 63.546000 Cu 0.317231 0.333662 5.4881e-17 886 63.546 0.0110993 -3.54002 63.546000 Cu 0.383309 0.335784 2.2145e-16 548 63.546 0.00499363 -3.53906 63.546000 Cu 0.418603 0.319741 0.5 552 63.546 0.00210014 -3.5393 63.546000 Cu 0.414201 0.353282 0.5 593 63.546 0.00258338 -3.53828 63.546000 Cu 0.35236 0.318025 0.5 887 63.546 0.00799664 -3.53976 63.546000 Cu 0.34807 0.35175 0.5 888 63.546 0.0104382 -3.53863 63.546000 Cu 0.449621 0.337091 4.81412e-19 595 63.546 0.000953673 -3.53883 63.546000 Cu 0.51611 0.338098 1.92565e-18 596 63.546 0.000769393 -3.53845 63.546000 Cu 0.485052 0.320941 0.5 597 63.546 0.000274244 -3.53864 63.546000 Cu 0.480632 0.354274 0.5 598 63.546 0.000569818 -3.53877 63.546000 Cu 0.551645 0.322086 0.5 602 63.546 0.0017841 -3.5389 63.546000 Cu 0.547292 0.355193 0.5 651 63.546 0.00236086 -3.53892 63.546000 Cu 0.582803 0.339314 5.4881e-17 653 63.546 0.00502655 -3.538 63.546000 Cu 0.64958 0.341347 3.05697e-17 654 63.546 0.0197684 -3.53399 63.546000 Cu 0.618327 0.3237 0.5 655 63.546 0.00903575 -3.53748 63.546000 Cu 0.614104 0.356609 0.5 656 63.546 0.0137661 -3.53501 63.546000 Cu 0.684966 0.326421 0.5 660 63.546 0.0127496 -3.53494 63.546000 Cu 0.680983 0.359408 0.5 713 63.546 0.0334524 -3.52956 63.546000 Cu 0.716204 0.345027 5.4881e-17 715 63.546 0.00447459 -3.53691 63.546000 Cu 0.751255 0.33031 0.5 717 63.546 0.00334242 -3.53903 63.546000 Cu 0.747271 0.363998 0.5 718 63.546 0.0099169 -3.53686 63.546000 Cu 0.782211 0.349043 5.4881e-17 716 63.546 0.013403 -3.53935 63.546000 Cu 0.85236 0.318025 4.81412e-19 720 63.546 0.00799664 -3.53976 63.546000 Cu 0.817231 0.333662 0.5 722 63.546 0.0110993 -3.54002 63.546000 Cu 0.813023 0.367575 0.5 767 63.546 0.0204821 -3.5387 63.546000 Cu 0.84807 0.35175 1.2276e-16 769 63.546 0.0104382 -3.53863 63.546000 Cu 0.883309 0.335784 0.5 771 63.546 0.00499363 -3.53906 63.546000 Cu 0.914201 0.353282 5.4881e-17 770 63.546 0.00258338 -3.53828 63.546000 Cu 0.918603 0.319741 4.81412e-19 773 63.546 0.00210014 -3.5393 63.546000 Cu 0.985052 0.320941 4.81412e-19 774 63.546 0.000274244 -3.53864 63.546000 Cu 0.949621 0.337091 0.5 776 63.546 0.000953673 -3.53883 63.546000 Cu 0.980632 0.354274 2.40706e-19 815 63.546 0.000569818 -3.53877 63.546000 Cu 0.0118004 0.371326 0.5 818 63.546 0.000768614 -3.53968 63.546000 Cu 0.0430624 0.388282 1.22279e-16 849 63.546 0.00199466 -3.53909 63.546000 Cu 0.109978 0.389347 0 850 63.546 0.0237849 -3.53363 63.546000 Cu 0.0786069 0.372254 0.5 851 63.546 0.00689284 -3.53716 63.546000 Cu 0.0743593 0.40514 0.5 852 63.546 0.00723483 -3.53796 63.546000 Cu 0.0075372 0.404563 0.5 847 63.546 0.00108984 -3.53885 63.546000 Cu 0.145573 0.374107 0.5 856 63.546 0.046456 -3.52805 63.546000 Cu 0.141648 0.406597 0.5 876 63.546 0.133782 -3.52111 63.546000 Cu 0.177212 0.392218 2.91254e-17 878 63.546 0.112098 -3.51694 63.546000 Cu 0.212422 0.378493 0.5 880 63.546 0.0138802 -3.53566 63.546000 Cu 0.209112 0.412457 0.5 881 63.546 0.105415 -3.52338 63.546000 Cu 0.308898 0.401806 3.24953e-17 411 63.546 0.0383325 -3.53413 63.546000 Cu 0.274262 0.417653 0.5 453 63.546 0.0760219 -3.52449 63.546000 Cu 0.243444 0.398004 0 879 63.546 0.0309307 -3.5306 63.546000 Cu 0.278196 0.383108 0.5 885 63.546 0.032807 -3.53565 63.546000 Cu 0.378938 0.369477 5.4881e-17 591 63.546 0.00553535 -3.53732 63.546000 Cu 0.339609 0.419882 0.5 379 63.546 0.0205626 -3.5308 63.546000 Cu 0.343832 0.385687 0.5 410 63.546 0.0146871 -3.53637 63.546000 Cu 0.374691 0.403317 4.81412e-19 590 63.546 0.00556914 -3.53518 63.546000 Cu 0.409902 0.386897 0.5 594 63.546 0.00236539 -3.53692 63.546000 Cu 0.40573 0.420611 0.5 643 63.546 0.004305 -3.5351 63.546000 Cu 0.440942 0.404076 5.4881e-17 645 63.546 0.00192833 -3.53689 63.546000 Cu 0.445218 0.37056 4.81412e-19 592 63.546 0.00130292 -3.53857 63.546000 Cu 0.507537 0.404563 1.2276e-16 646 63.546 0.00108984 -3.53885 63.546000 Cu 0.476341 0.387644 0.5 647 63.546 0.000708733 -3.53873 63.546000 Cu 0.472166 0.421026 0.5 648 63.546 0.00401121 -3.53766 63.546000 Cu 0.5118 0.371326 4.57341e-17 649 63.546 0.000768614 -3.53968 63.546000 Cu 0.543062 0.388282 0.5 652 63.546 0.00199466 -3.53909 63.546000 Cu 0.578607 0.372254 1.47312e-16 650 63.546 0.00689284 -3.53716 63.546000 Cu 0.574359 0.40514 6.7157e-17 707 63.546 0.00723483 -3.53796 63.546000 Cu 0.641648 0.406597 3.67077e-16 708 63.546 0.133782 -3.52111 63.546000 Cu 0.609978 0.389347 0.5 709 63.546 0.0237849 -3.53363 63.546000 Cu 0.645573 0.374107 5.4881e-17 711 63.546 0.046456 -3.52805 63.546000 Cu 0.712422 0.378493 0 712 63.546 0.0138802 -3.53566 63.546000 Cu 0.677212 0.392218 0.5 714 63.546 0.112098 -3.51694 63.546000 Cu 0.709112 0.412457 2.20727e-16 761 63.546 0.105415 -3.52338 63.546000 Cu 0.774262 0.417653 5.4881e-17 762 63.546 0.0760219 -3.52449 63.546000 Cu 0.743444 0.398004 0.5 763 63.546 0.0309307 -3.5306 63.546000 Cu 0.878938 0.369477 0.5 772 63.546 0.00553535 -3.53732 63.546000 Cu 0.778196 0.383108 1.2276e-16 765 63.546 0.032807 -3.53565 63.546000 Cu 0.843832 0.385687 1.44424e-17 766 63.546 0.0146871 -3.53637 63.546000 Cu 0.808898 0.401806 0.5 768 63.546 0.0383325 -3.53413 63.546000 Cu 0.839609 0.419882 1.23001e-16 807 63.546 0.0205626 -3.5308 63.546000 Cu 0.874691 0.403317 0.5 809 63.546 0.00556914 -3.53518 63.546000 Cu 0.90573 0.420611 2.44798e-16 808 63.546 0.004305 -3.5351 63.546000 Cu 0.909902 0.386897 1.98823e-16 811 63.546 0.00236539 -3.53692 63.546000 Cu 0.976341 0.387644 1.96898e-16 812 63.546 0.000708733 -3.53873 63.546000 Cu 0.945218 0.37056 0.5 813 63.546 0.00130292 -3.53857 63.546000 Cu 0.940942 0.404076 0.5 814 63.546 0.00192833 -3.53689 63.546000 Cu 0.972166 0.421026 5.4881e-17 845 63.546 0.00401121 -3.53766 63.546000 Cu 0.0388137 0.421366 0 846 63.546 0.00430131 -3.53976 63.546000 Cu 0.0357927 0.454503 1.23001e-16 870 63.546 0.0296907 -3.53768 63.546000 Cu 0.101933 0.454584 5.4881e-17 871 63.546 0.0651032 -3.53224 63.546000 Cu 0.070348 0.438039 0.5 872 63.546 0.014398 -3.53927 63.546000 Cu 0.0688767 0.471044 0.5 873 63.546 0.0327498 -3.54056 63.546000 Cu 0.105679 0.421942 5.4881e-17 874 63.546 0.035257 -3.535 63.546000 Cu 0.00373941 0.437818 0.5 848 63.546 0.0119563 -3.53952 63.546000 Cu 0.00247629 0.471099 0.5 869 63.546 0.0286489 -3.54008 63.546000 Cu 0.173532 0.42458 5.4881e-17 875 63.546 0.616839 -3.46763 63.546000 Cu 0.137289 0.438685 0.5 877 63.546 0.513881 -3.49713 63.546000 Cu 0.168233 0.45572 5.4881e-17 892 63.546 5.95933 -3.26411 63.546000 Cu 0.206599 0.448112 0.5 894 63.546 5.91957 -3.45419 63.546000 Cu 0.13513 0.470956 0.5 891 63.546 3.19385 -3.47695 63.546000 Cu 0.301172 0.471009 1.97379e-17 33 63.546 0.212746 -3.51101 63.546000 Cu 0.269737 0.453396 0.5 450 63.546 0.324134 -3.495 63.546000 Cu 0.304475 0.436511 1.89436e-16 454 63.546 0.0806505 -3.52617 63.546000 Cu 0.231905 0.470851 0 893 63.546 4.53912 -3.57249 63.546000 Cu 0.239344 0.432775 1.6031e-16 896 63.546 0.214868 -3.51373 63.546000 Cu 0.336029 0.454115 0.5 14 63.546 0.0384676 -3.52331 63.546000 Cu 0.36873 0.471125 6.49906e-18 640 63.546 0.0683634 -3.53932 63.546000 Cu 0.370682 0.437286 5.4881e-17 641 63.546 0.0123981 -3.53252 63.546000 Cu 0.437164 0.437624 1.13132e-17 642 63.546 0.0114418 -3.53734 63.546000 Cu 0.402683 0.454333 0.5 644 63.546 0.0269376 -3.5372 63.546000 Cu 0.43576 0.471137 2.40706e-19 699 63.546 0.0366698 -3.54061 63.546000 Cu 0.502476 0.471099 0 700 63.546 0.0286489 -3.54008 63.546000 Cu 0.469325 0.45444 0.5 701 63.546 0.024746 -3.53897 63.546000 Cu 0.503739 0.437818 0 703 63.546 0.0119563 -3.53952 63.546000 Cu 0.538814 0.421366 0.5 705 63.546 0.00430131 -3.53976 63.546000 Cu 0.535793 0.454503 0.5 706 63.546 0.0296907 -3.53768 63.546000 Cu 0.570348 0.438039 5.4881e-17 704 63.546 0.014398 -3.53927 63.546000 Cu 0.605679 0.421942 0.5 710 63.546 0.035257 -3.535 63.546000 Cu 0.568877 0.471044 6.18615e-17 753 63.546 0.0327498 -3.54056 63.546000 Cu 0.601933 0.454584 0.5 755 63.546 0.0651032 -3.53224 63.546000 Cu 0.637289 0.438685 0 757 63.546 0.513881 -3.49713 63.546000 Cu 0.63513 0.470956 3.67799e-16 754 63.546 3.19385 -3.47695 63.546000 Cu 0.673532 0.42458 0.5 759 63.546 0.616839 -3.46763 63.546000 Cu 0.668233 0.45572 0.5 760 63.546 5.95933 -3.26411 63.546000 Cu 0.706599 0.448112 5.29553e-17 758 63.546 5.91957 -3.45419 63.546000 Cu 0.739344 0.432775 0.5 764 63.546 0.214868 -3.51373 63.546000 Cu 0.731905 0.470851 0.5 801 63.546 4.53912 -3.57249 63.546000 Cu 0.769737 0.453396 4.64563e-17 803 63.546 0.324134 -3.495 63.546000 Cu 0.836029 0.454115 5.4881e-17 804 63.546 0.0384676 -3.52331 63.546000 Cu 0.804475 0.436511 0.5 805 63.546 0.0806505 -3.52617 63.546000 Cu 0.801172 0.471009 0.5 806 63.546 0.212746 -3.51101 63.546000 Cu 0.870682 0.437286 0.5 810 63.546 0.0123981 -3.53252 63.546000 Cu 0.86873 0.471125 0.5 839 63.546 0.0683634 -3.53932 63.546000 Cu 0.902683 0.454333 5.4881e-17 841 63.546 0.0269376 -3.5372 63.546000 Cu 0.969325 0.45444 1.49238e-17 842 63.546 0.024746 -3.53897 63.546000 Cu 0.937164 0.437624 0.5 843 63.546 0.0114418 -3.53734 63.546000 Cu 0.93576 0.471137 0.5 844 63.546 0.0366698 -3.54061 63.546000 Cu 0.040739 0.520809 5.94544e-17 58 63.546 0.00291385 -3.53927 63.546000 Cu 0.0717976 0.504051 0.5 59 63.546 0.0107239 -3.53852 63.546000 Cu 0.00515293 0.504397 0.5 60 63.546 0.00749197 -3.53905 63.546000 Cu 0.0365751 0.487658 2.40706e-19 868 63.546 0.0236171 -3.53785 63.546000 Cu 0.102756 0.487413 5.4881e-17 889 63.546 0.0580634 -3.53138 63.546000 Cu 0.10763 0.520022 8.71356e-17 61 63.546 0.0346069 -3.53411 63.546000 Cu 0.175396 0.517128 4.01979e-17 31 63.546 0.534172 -3.47435 63.546000 Cu 0.13878 0.50317 0.5 32 63.546 0.469455 -3.49596 63.546000 Cu 0.169199 0.485931 5.4881e-17 890 63.546 7.54541 -3.27559 63.546000 Cu 0.207547 0.49387 0.5 895 63.546 5.86615 -3.45791 63.546000 Cu 0.240979 0.509024 0 136 63.546 0.234331 -3.51604 63.546000 Cu 0.270519 0.488499 0.5 94 63.546 0.346622 -3.49441 63.546000 Cu 0.305937 0.505582 1.79807e-16 135 63.546 0.0739222 -3.52505 63.546000 Cu 0.276148 0.524322 0.5 35 63.546 0.080985 -3.52688 63.546000 Cu 0.336815 0.4881 0.5 13 63.546 0.0303556 -3.5224 63.546000 Cu 0.407662 0.521699 0.5 16 63.546 0.00192721 -3.53453 63.546000 Cu 0.372137 0.504989 2.44798e-16 697 63.546 0.00671965 -3.53139 63.546000 Cu 0.403472 0.487952 0.5 698 63.546 0.0210514 -3.5362 63.546000 Cu 0.438602 0.50467 0 3 63.546 0.00664708 -3.53629 63.546000 Cu 0.341486 0.52236 0.5 17 63.546 0.0157932 -3.53034 63.546000 Cu 0.505153 0.504397 5.4881e-17 4 63.546 0.00749197 -3.53905 63.546000 Cu 0.540739 0.520809 0.5 6 63.546 0.00291385 -3.53927 63.546000 Cu 0.474099 0.521254 0.5 7 63.546 0.00179482 -3.53721 63.546000 Cu 0.470096 0.487817 0.5 702 63.546 0.019709 -3.5383 63.546000 Cu 0.536575 0.487658 0.5 752 63.546 0.0236171 -3.53785 63.546000 Cu 0.571798 0.504051 5.4881e-17 1 63.546 0.0107239 -3.53852 63.546000 Cu 0.60763 0.520022 0.5 2 63.546 0.0346069 -3.53411 63.546000 Cu 0.63878 0.50317 1.16983e-16 184 63.546 0.469455 -3.49596 63.546000 Cu 0.602756 0.487413 0.5 756 63.546 0.0580634 -3.53138 63.546000 Cu 0.669199 0.485931 0.5 798 63.546 7.54541 -3.27559 63.546000 Cu 0.675396 0.517128 0.5 186 63.546 0.534172 -3.47435 63.546000 Cu 0.707547 0.49387 9.05055e-17 799 63.546 5.86615 -3.45791 63.546000 Cu 0.770519 0.488499 1.774e-16 800 63.546 0.346622 -3.49441 63.546000 Cu 0.740979 0.509024 0.5 802 63.546 0.234331 -3.51604 63.546000 Cu 0.776148 0.524322 5.4881e-17 134 63.546 0.080985 -3.52688 63.546000 Cu 0.805937 0.505582 0.5 836 63.546 0.0739222 -3.52505 63.546000 Cu 0.836815 0.4881 1.23001e-16 837 63.546 0.0303556 -3.5224 63.546000 Cu 0.872137 0.504989 0.5 840 63.546 0.00671965 -3.53139 63.546000 Cu 0.841486 0.52236 2.40706e-19 137 63.546 0.0157932 -3.53034 63.546000 Cu 0.903472 0.487952 2.67184e-17 838 63.546 0.0210514 -3.5362 63.546000 Cu 0.907662 0.521699 5.4881e-17 92 63.546 0.00192721 -3.53453 63.546000 Cu 0.938602 0.50467 0.5 93 63.546 0.00664708 -3.53629 63.546000 Cu 0.974099 0.521254 5.84916e-17 95 63.546 0.00179482 -3.53721 63.546000 Cu 0.970096 0.487817 5.4881e-17 867 63.546 0.019709 -3.5383 63.546000 Cu 0.0766185 0.536923 0.5 64 63.546 0.00793567 -3.53775 63.546000 Cu 0.0097951 0.537662 0.5 97 63.546 0.00100504 -3.53816 63.546000 Cu 0.0455516 0.553861 5.4881e-17 99 63.546 0.00258517 -3.53841 63.546000 Cu 0.0812416 0.569782 0.5 101 63.546 0.00730582 -3.53705 63.546000 Cu 0.0145114 0.570877 0.5 102 63.546 0.000963016 -3.53896 63.546000 Cu 0.211134 0.529338 0.5 36 63.546 0.099763 -3.52569 63.546000 Cu 0.112459 0.552595 0 62 63.546 0.0235305 -3.53388 63.546000 Cu 0.143897 0.535244 0.5 63 63.546 0.125772 -3.52125 63.546000 Cu 0.179612 0.549531 1.29018e-16 65 63.546 0.0949894 -3.51777 63.546000 Cu 0.148155 0.567735 0.5 68 63.546 0.0427435 -3.52838 63.546000 Cu 0.214904 0.563275 0.5 67 63.546 0.0137442 -3.53618 63.546000 Cu 0.245691 0.543824 2.35651e-16 34 63.546 0.0377596 -3.53259 63.546000 Cu 0.311075 0.540313 5.4881e-17 37 63.546 0.0350231 -3.53466 63.546000 Cu 0.315578 0.574468 2.76812e-17 38 63.546 0.0193877 -3.53884 63.546000 Cu 0.280566 0.558871 0.5 40 63.546 0.0318119 -3.53653 63.546000 Cu 0.249819 0.577837 5.4881e-17 69 63.546 0.0116989 -3.53808 63.546000 Cu 0.376947 0.538946 2.33485e-17 15 63.546 0.00434617 -3.53478 63.546000 Cu 0.412428 0.555399 0.5 21 63.546 0.00153036 -3.53679 63.546000 Cu 0.34627 0.556491 0.5 39 63.546 0.013052 -3.53668 63.546000 Cu 0.381609 0.572726 5.4881e-17 41 63.546 0.00460109 -3.53746 63.546000 Cu 0.443234 0.538242 1.22519e-16 18 63.546 0.000856639 -3.53681 63.546000 Cu 0.509795 0.537662 1.99786e-17 5 63.546 0.00100504 -3.53816 63.546000 Cu 0.545552 0.553861 0.5 11 63.546 0.00258517 -3.53841 63.546000 Cu 0.447944 0.571731 9.26718e-17 19 63.546 0.000669239 -3.53823 63.546000 Cu 0.478894 0.554644 0.5 20 63.546 0.000640472 -3.53819 63.546000 Cu 0.514511 0.570877 0 22 63.546 0.000963016 -3.53896 63.546000 Cu 0.576619 0.536923 1.23001e-16 8 63.546 0.00793567 -3.53775 63.546000 Cu 0.581242 0.569782 5.4881e-17 9 63.546 0.00730582 -3.53705 63.546000 Cu 0.612459 0.552595 0.5 10 63.546 0.0235305 -3.53388 63.546000 Cu 0.643897 0.535244 2.44798e-16 185 63.546 0.125772 -3.52125 63.546000 Cu 0.648155 0.567735 5.4881e-17 242 63.546 0.0427435 -3.52838 63.546000 Cu 0.711134 0.529338 2.25542e-16 187 63.546 0.099763 -3.52569 63.546000 Cu 0.714904 0.563275 2.40706e-19 188 63.546 0.0137442 -3.53618 63.546000 Cu 0.745691 0.543824 0.5 189 63.546 0.0377596 -3.53259 63.546000 Cu 0.679612 0.549531 0.5 190 63.546 0.0949894 -3.51777 63.546000 Cu 0.749819 0.577837 0.5 194 63.546 0.0116989 -3.53808 63.546000 Cu 0.84627 0.556491 0 138 63.546 0.013052 -3.53668 63.546000 Cu 0.876947 0.538946 0.5 139 63.546 0.00434617 -3.53478 63.546000 Cu 0.811075 0.540313 0.5 140 63.546 0.0350231 -3.53466 63.546000 Cu 0.780566 0.558871 5.4881e-17 191 63.546 0.0318119 -3.53653 63.546000 Cu 0.815578 0.574468 0.5 193 63.546 0.0193877 -3.53884 63.546000 Cu 0.881609 0.572726 0.5 144 63.546 0.00460109 -3.53746 63.546000 Cu 0.978894 0.554644 2.52741e-16 96 63.546 0.000640472 -3.53819 63.546000 Cu 0.943234 0.538242 0.5 98 63.546 0.000856639 -3.53681 63.546000 Cu 0.912428 0.555399 1.22519e-16 141 63.546 0.00153036 -3.53679 63.546000 Cu 0.947944 0.571731 0.5 143 63.546 0.000669239 -3.53823 63.546000 Cu 0.0500808 0.586929 4.33271e-18 100 63.546 0.00281645 -3.5387 63.546000 Cu 0.0855854 0.602716 0.5 106 63.546 0.00528699 -3.53777 63.546000 Cu 0.018943 0.604084 0.5 147 63.546 0.00101805 -3.53949 63.546000 Cu 0.0544019 0.620021 4.81412e-19 149 63.546 0.00250252 -3.53945 63.546000 Cu 0.183609 0.582358 4.81412e-19 66 63.546 0.0261124 -3.53021 63.546000 Cu 0.116797 0.585327 4.81412e-19 103 63.546 0.0133817 -3.535 63.546000 Cu 0.121031 0.618225 8.90612e-17 104 63.546 0.00861471 -3.5371 63.546000 Cu 0.152285 0.600502 0.5 105 63.546 0.0175951 -3.53388 63.546000 Cu 0.187648 0.61534 5.4881e-17 107 63.546 0.00869924 -3.53488 63.546000 Cu 0.218852 0.596756 0.5 72 63.546 0.00364657 -3.53751 63.546000 Cu 0.253935 0.611487 6.64349e-17 70 63.546 0.00425454 -3.53948 63.546000 Cu 0.284857 0.592864 0.5 71 63.546 0.013926 -3.53959 63.546000 Cu 0.319918 0.608286 0 73 63.546 0.0115213 -3.54012 63.546000 Cu 0.289026 0.626561 0.5 76 63.546 0.0067141 -3.5404 63.546000 Cu 0.2229 0.630075 0.5 109 63.546 0.00130831 -3.53809 63.546000 Cu 0.385998 0.606329 0 42 63.546 0.0046881 -3.53897 63.546000 Cu 0.416987 0.58895 0.5 43 63.546 0.00144649 -3.5382 63.546000 Cu 0.350748 0.590323 0.5 44 63.546 0.0102933 -3.53874 63.546000 Cu 0.421309 0.622397 0.5 48 63.546 0.00174562 -3.53854 63.546000 Cu 0.355082 0.623994 0.5 75 63.546 0.00677628 -3.54005 63.546000 Cu 0.518943 0.604084 1.89917e-16 23 63.546 0.00101805 -3.53949 63.546000 Cu 0.483464 0.587967 0.5 25 63.546 0.000394663 -3.5391 63.546000 Cu 0.452382 0.605135 1.55496e-16 45 63.546 0.000388433 -3.53893 63.546000 Cu 0.487788 0.621248 0.5 47 63.546 0.000204532 -3.53921 63.546000 Cu 0.550081 0.586929 0.5 24 63.546 0.00281645 -3.5387 63.546000 Cu 0.554402 0.620021 0.5 29 63.546 0.00250252 -3.53945 63.546000 Cu 0.616797 0.585327 0.5 12 63.546 0.0133817 -3.535 63.546000 Cu 0.585585 0.602716 1.87751e-16 26 63.546 0.00528699 -3.53777 63.546000 Cu 0.621031 0.618225 0.5 28 63.546 0.00861471 -3.5371 63.546000 Cu 0.652285 0.600502 8.66542e-17 243 63.546 0.0175951 -3.53388 63.546000 Cu 0.683609 0.582358 0.5 244 63.546 0.0261124 -3.53021 63.546000 Cu 0.718852 0.596756 1.05911e-16 245 63.546 0.00364657 -3.53751 63.546000 Cu 0.7229 0.630075 3.10751e-16 246 63.546 0.00130831 -3.53809 63.546000 Cu 0.753935 0.611487 0.5 247 63.546 0.00425454 -3.53948 63.546000 Cu 0.687648 0.61534 0.5 248 63.546 0.00869924 -3.53488 63.546000 Cu 0.784857 0.592864 5.4881e-17 192 63.546 0.013926 -3.53959 63.546000 Cu 0.850748 0.590323 0 195 63.546 0.0102933 -3.53874 63.546000 Cu 0.855082 0.623994 3.20139e-17 196 63.546 0.00677628 -3.54005 63.546000 Cu 0.819918 0.608286 0.5 198 63.546 0.0115213 -3.54012 63.546000 Cu 0.789026 0.626561 0 249 63.546 0.0067141 -3.5404 63.546000 Cu 0.885998 0.606329 0.5 197 63.546 0.0046881 -3.53897 63.546000 Cu 0.916987 0.58895 3.0329e-17 142 63.546 0.00144649 -3.5382 63.546000 Cu 0.983464 0.587967 0 145 63.546 0.000394663 -3.5391 63.546000 Cu 0.987788 0.621248 1.75234e-16 146 63.546 0.000204532 -3.53921 63.546000 Cu 0.952382 0.605135 0.5 148 63.546 0.000388433 -3.53893 63.546000 Cu 0.921309 0.622397 0 199 63.546 0.00174562 -3.53854 63.546000 Cu 0.0587326 0.653147 1.23001e-16 150 63.546 0.00238726 -3.53955 63.546000 Cu 0.0898529 0.635741 0.5 151 63.546 0.00427331 -3.5389 63.546000 Cu 0.0232367 0.637276 0.5 152 63.546 0.00104696 -3.53952 63.546000 Cu 0.094168 0.668845 0.5 156 63.546 0.00373323 -3.53987 63.546000 Cu 0.0275972 0.670454 0.5 205 63.546 0.000740897 -3.53939 63.546000 Cu 0.191785 0.648428 1.55255e-16 108 63.546 0.00353357 -3.53712 63.546000 Cu 0.156445 0.633441 0.5 110 63.546 0.00864328 -3.53659 63.546000 Cu 0.125305 0.651232 2.37577e-16 153 63.546 0.00567992 -3.53891 63.546000 Cu 0.160675 0.666521 0.5 155 63.546 0.00568526 -3.53851 63.546000 Cu 0.195878 0.681611 1.53811e-16 157 63.546 0.00188296 -3.53828 63.546000 Cu 0.324147 0.641922 4.81412e-19 74 63.546 0.0069312 -3.54032 63.546000 Cu 0.258057 0.644968 1.15298e-16 111 63.546 0.00165895 -3.53891 63.546000 Cu 0.262165 0.678359 2.49853e-16 112 63.546 0.000789167 -3.53916 63.546000 Cu 0.293187 0.660073 0.5 113 63.546 0.00392288 -3.53946 63.546000 Cu 0.227038 0.663347 0.5 114 63.546 0.000532185 -3.53831 63.546000 Cu 0.32832 0.675402 2.046e-17 115 63.546 0.00498313 -3.53995 63.546000 Cu 0.390317 0.639841 1.82937e-16 77 63.546 0.00379667 -3.53942 63.546000 Cu 0.394598 0.673263 1.22279e-16 78 63.546 0.00285667 -3.54009 63.546000 Cu 0.425654 0.655772 0.5 79 63.546 0.00180349 -3.53932 63.546000 Cu 0.359347 0.657519 0.5 80 63.546 0.00476849 -3.54018 63.546000 Cu 0.45669 0.638464 5.4881e-17 46 63.546 0.000410727 -3.5386 63.546000 Cu 0.523237 0.637276 5.43996e-17 49 63.546 0.00104696 -3.53952 63.546000 Cu 0.527597 0.670454 2.45279e-16 50 63.546 0.000740897 -3.53939 63.546000 Cu 0.492137 0.654495 0.5 52 63.546 0.000128137 -3.53904 63.546000 Cu 0.461044 0.671752 0 81 63.546 0.00037896 -3.53929 63.546000 Cu 0.589853 0.635741 5.4881e-17 27 63.546 0.00427331 -3.5389 63.546000 Cu 0.625305 0.651232 0.5 30 63.546 0.00567992 -3.53891 63.546000 Cu 0.558733 0.653147 0.5 51 63.546 0.00238726 -3.53955 63.546000 Cu 0.594168 0.668845 1.2276e-16 53 63.546 0.00373323 -3.53987 63.546000 Cu 0.656445 0.633441 0 296 63.546 0.00864328 -3.53659 63.546000 Cu 0.660675 0.666521 3.67799e-16 297 63.546 0.00568526 -3.53851 63.546000 Cu 0.758057 0.644968 0.5 252 63.546 0.00165895 -3.53891 63.546000 Cu 0.691785 0.648428 0.5 298 63.546 0.00353357 -3.53712 63.546000 Cu 0.727038 0.663347 1.00856e-16 299 63.546 0.000532185 -3.53831 63.546000 Cu 0.762165 0.678359 0.5 301 63.546 0.000789167 -3.53916 63.546000 Cu 0.695878 0.681611 0.5 302 63.546 0.00188296 -3.53828 63.546000 Cu 0.793187 0.660073 1.295e-16 250 63.546 0.00392288 -3.53946 63.546000 Cu 0.824147 0.641922 0.5 251 63.546 0.0069312 -3.54032 63.546000 Cu 0.859347 0.657519 9.55603e-17 253 63.546 0.00476849 -3.54018 63.546000 Cu 0.82832 0.675402 0.5 256 63.546 0.00498313 -3.53995 63.546000 Cu 0.992137 0.654495 4.21236e-17 203 63.546 0.000128137 -3.53904 63.546000 Cu 0.925654 0.655772 1.04466e-16 200 63.546 0.00180349 -3.53932 63.546000 Cu 0.95669 0.638464 0.5 201 63.546 0.000410727 -3.5386 63.546000 Cu 0.890317 0.639841 0.5 202 63.546 0.00379667 -3.53942 63.546000 Cu 0.961044 0.671752 0.5 206 63.546 0.00037896 -3.53929 63.546000 Cu 0.894598 0.673263 0.5 255 63.546 0.00285667 -3.54009 63.546000 Cu 0.0630203 0.686307 5.4881e-17 207 63.546 0.00196366 -3.53931 63.546000 Cu 0.0672575 0.71953 1.23001e-16 208 63.546 0.0016889 -3.53936 63.546000 Cu 0.0983629 0.702023 0.5 209 63.546 0.00323817 -3.53902 63.546000 Cu 0.0319115 0.703668 0.5 210 63.546 0.000683669 -3.53939 63.546000 Cu 0.000781644 0.72098 1.01097e-17 261 63.546 9.60923e-05 -3.53952 63.546000 Cu 0.102592 0.735289 0.5 214 63.546 0.00327511 -3.53978 63.546000 Cu 0.129501 0.684369 4.81412e-19 154 63.546 0.00496767 -3.53921 63.546000 Cu 0.199897 0.714876 5.4881e-17 158 63.546 0.00164553 -3.53928 63.546000 Cu 0.164708 0.699708 0.5 160 63.546 0.00433046 -3.53873 63.546000 Cu 0.13362 0.717597 5.4881e-17 211 63.546 0.00458057 -3.5392 63.546000 Cu 0.168889 0.732998 0.5 213 63.546 0.00456492 -3.53959 63.546000 Cu 0.297275 0.693491 0.5 118 63.546 0.00246043 -3.53976 63.546000 Cu 0.231012 0.696641 0.5 159 63.546 0.000126068 -3.53927 63.546000 Cu 0.266192 0.711697 1.2276e-16 161 63.546 0.000463885 -3.53978 63.546000 Cu 0.301465 0.726793 0.5 163 63.546 0.00231572 -3.53922 63.546000 Cu 0.23515 0.729938 0.5 164 63.546 6.83025e-05 -3.53944 63.546000 Cu 0.3325 0.708761 5.96951e-17 116 63.546 0.0042265 -3.53984 63.546000 Cu 0.429964 0.68909 0.5 84 63.546 0.00168283 -3.53999 63.546000 Cu 0.363548 0.690914 0.5 117 63.546 0.00423917 -3.54018 63.546000 Cu 0.398891 0.706582 1.03263e-16 119 63.546 0.00259344 -3.54021 63.546000 Cu 0.43427 0.72236 0.5 121 63.546 0.00163017 -3.53968 63.546000 Cu 0.367804 0.7242 0.5 122 63.546 0.00426906 -3.53948 63.546000 Cu 0.465387 0.705011 5.3196e-17 82 63.546 0.000416994 -3.53976 63.546000 Cu 0.496487 0.687729 0.5 83 63.546 4.67607e-05 -3.53953 63.546000 Cu 0.531911 0.703668 1.45386e-16 85 63.546 0.000683669 -3.53939 63.546000 Cu 0.500782 0.72098 0.5 88 63.546 9.60923e-05 -3.53952 63.546000 Cu 0.629501 0.684369 0.5 55 63.546 0.00496767 -3.53921 63.546000 Cu 0.598363 0.702023 4.38085e-17 54 63.546 0.00323817 -3.53902 63.546000 Cu 0.56302 0.686307 0.5 56 63.546 0.00196366 -3.53931 63.546000 Cu 0.63362 0.717597 0.5 57 63.546 0.00458057 -3.5392 63.546000 Cu 0.567258 0.71953 0.5 87 63.546 0.0016889 -3.53936 63.546000 Cu 0.602592 0.735289 5.4881e-17 89 63.546 0.00327511 -3.53978 63.546000 Cu 0.664708 0.699708 1.50441e-16 342 63.546 0.00433046 -3.53873 63.546000 Cu 0.731012 0.696641 7.84702e-17 300 63.546 0.000126068 -3.53927 63.546000 Cu 0.766192 0.711697 0.5 306 63.546 0.000463885 -3.53978 63.546000 Cu 0.668889 0.732998 1.2276e-16 343 63.546 0.00456492 -3.53959 63.546000 Cu 0.699897 0.714876 0.5 344 63.546 0.00164553 -3.53928 63.546000 Cu 0.73515 0.729938 6.47499e-17 345 63.546 6.83025e-05 -3.53944 63.546000 Cu 0.863548 0.690914 4.23643e-17 254 63.546 0.00423917 -3.54018 63.546000 Cu 0.797275 0.693491 5.4881e-17 303 63.546 0.00246043 -3.53976 63.546000 Cu 0.801465 0.726793 5.4881e-17 304 63.546 0.00231572 -3.53922 63.546000 Cu 0.8325 0.708761 0.5 305 63.546 0.0042265 -3.53984 63.546000 Cu 0.867804 0.7242 4.81412e-19 307 63.546 0.00426906 -3.53948 63.546000 Cu 0.996487 0.687729 3.49024e-16 204 63.546 4.67607e-05 -3.53953 63.546000 Cu 0.929964 0.68909 5.4881e-17 257 63.546 0.00168283 -3.53999 63.546000 Cu 0.93427 0.72236 0 258 63.546 0.00163017 -3.53968 63.546000 Cu 0.965387 0.705011 0.5 259 63.546 0.000416994 -3.53976 63.546000 Cu 0.898891 0.706582 0.5 260 63.546 0.00259344 -3.54021 63.546000 Cu 0.0361328 0.736921 0.5 263 63.546 0.000701925 -3.53955 63.546000 Cu 0.00493945 0.754219 0 262 63.546 5.8813e-05 -3.53937 63.546000 Cu 0.0714594 0.752802 1.2276e-16 265 63.546 0.00166716 -3.53996 63.546000 Cu 0.075592 0.786123 5.4881e-17 266 63.546 0.00186522 -3.53979 63.546000 Cu 0.0402848 0.770176 0.5 268 63.546 0.000599571 -3.53967 63.546000 Cu 0.00907363 0.787447 5.4881e-17 315 63.546 0.0001852 -3.53945 63.546000 Cu 0.106741 0.768616 0.5 267 63.546 0.00370671 -3.54022 63.546000 Cu 0.137853 0.75091 5.4881e-17 212 63.546 0.00509625 -3.54003 63.546000 Cu 0.204132 0.748188 0 215 63.546 0.00181285 -3.53952 63.546000 Cu 0.208161 0.781593 5.4881e-17 216 63.546 0.00273404 -3.53999 63.546000 Cu 0.173041 0.766348 0.5 218 63.546 0.00491274 -3.54006 63.546000 Cu 0.141952 0.784306 1.72827e-16 269 63.546 0.00598878 -3.54032 63.546000 Cu 0.270368 0.744978 1.51645e-17 162 63.546 0.000588019 -3.53886 63.546000 Cu 0.305507 0.760033 0.5 168 63.546 0.0029852 -3.53823 63.546000 Cu 0.239249 0.76327 0.5 217 63.546 0.000292299 -3.53905 63.546000 Cu 0.274333 0.778273 5.4881e-17 219 63.546 0.000782904 -3.53834 63.546000 Cu 0.403101 0.739814 1.94009e-16 120 63.546 0.00299515 -3.53939 63.546000 Cu 0.336691 0.742011 2.16635e-17 165 63.546 0.00451423 -3.53869 63.546000 Cu 0.340688 0.775198 2.40706e-19 166 63.546 0.00564551 -3.53859 63.546000 Cu 0.371888 0.75741 0.5 167 63.546 0.0045566 -3.53922 63.546000 Cu 0.407162 0.772989 2.99198e-16 169 63.546 0.00348753 -3.53924 63.546000 Cu 0.438383 0.755576 0.5 126 63.546 0.00166808 -3.53953 63.546000 Cu 0.442492 0.788745 0.5 171 63.546 0.00200461 -3.53913 63.546000 Cu 0.536133 0.736921 5.4881e-17 86 63.546 0.000701925 -3.53955 63.546000 Cu 0.469606 0.738256 1.79807e-16 123 63.546 0.000398216 -3.53936 63.546000 Cu 0.473713 0.771466 5.4881e-17 124 63.546 0.000453862 -3.53947 63.546000 Cu 0.504939 0.754219 0.5 125 63.546 5.8813e-05 -3.53937 63.546000 Cu 0.540285 0.770176 2.40706e-19 127 63.546 0.000599571 -3.53967 63.546000 Cu 0.509074 0.787447 0.5 130 63.546 0.0001852 -3.53945 63.546000 Cu 0.606741 0.768616 0 90 63.546 0.00370671 -3.54022 63.546000 Cu 0.571459 0.752802 0.5 91 63.546 0.00166716 -3.53996 63.546000 Cu 0.575592 0.786123 0.5 129 63.546 0.00186522 -3.53979 63.546000 Cu 0.637853 0.75091 0.5 380 63.546 0.00509625 -3.54003 63.546000 Cu 0.641952 0.784306 0.5 384 63.546 0.00598878 -3.54032 63.546000 Cu 0.739249 0.76327 1.79567e-16 346 63.546 0.000292299 -3.53905 63.546000 Cu 0.704132 0.748188 0.5 348 63.546 0.00181285 -3.53952 63.546000 Cu 0.673041 0.766348 0 381 63.546 0.00491274 -3.54006 63.546000 Cu 0.708161 0.781593 0.5 383 63.546 0.00273404 -3.53999 63.546000 Cu 0.770368 0.744978 0.5 347 63.546 0.000588019 -3.53886 63.546000 Cu 0.774333 0.778273 0.5 352 63.546 0.000782904 -3.53834 63.546000 Cu 0.871888 0.75741 5.4881e-17 308 63.546 0.0045566 -3.53922 63.546000 Cu 0.836691 0.742011 0.5 310 63.546 0.00451423 -3.53869 63.546000 Cu 0.805507 0.760033 8.90612e-18 349 63.546 0.0029852 -3.53823 63.546000 Cu 0.840688 0.775198 0.5 351 63.546 0.00564551 -3.53859 63.546000 Cu 0.969606 0.738256 0.5 264 63.546 0.000398216 -3.53936 63.546000 Cu 0.903101 0.739814 0.5 309 63.546 0.00299515 -3.53939 63.546000 Cu 0.938383 0.755576 1.2276e-16 311 63.546 0.00166808 -3.53953 63.546000 Cu 0.973713 0.771466 0.5 313 63.546 0.000453862 -3.53947 63.546000 Cu 0.907162 0.772989 0.5 314 63.546 0.00348753 -3.53924 63.546000 Cu 0.942492 0.788745 5.4881e-17 312 63.546 0.00200461 -3.53913 63.546000 Cu 0.0134453 0.8207 1.75715e-17 316 63.546 0.000298252 -3.53891 63.546000 Cu 0.0444843 0.803472 0.5 317 63.546 0.000809309 -3.53926 63.546000 Cu 0.0799083 0.819503 4.42899e-17 319 63.546 0.00207597 -3.53899 63.546000 Cu 0.0489998 0.836821 0.5 322 63.546 0.000825759 -3.53847 63.546000 Cu 0.110895 0.80202 0.5 272 63.546 0.00438915 -3.53979 63.546000 Cu 0.146198 0.817804 2.71998e-17 270 63.546 0.00722645 -3.53999 63.546000 Cu 0.17714 0.799813 0.5 271 63.546 0.00644579 -3.54028 63.546000 Cu 0.18144 0.83343 0.5 276 63.546 0.0103107 -3.53999 63.546000 Cu 0.115335 0.835518 0.5 321 63.546 0.00470576 -3.53925 63.546000 Cu 0.212255 0.815126 3.00883e-17 273 63.546 0.00609261 -3.53996 63.546000 Cu 0.278367 0.811572 4.81412e-19 220 63.546 0.00165356 -3.5381 63.546000 Cu 0.30949 0.793228 0.5 221 63.546 0.00500736 -3.53736 63.546000 Cu 0.243245 0.796674 0.5 222 63.546 0.00110954 -3.53928 63.546000 Cu 0.313654 0.826334 0.5 226 63.546 0.0102439 -3.53521 63.546000 Cu 0.247391 0.830154 0.5 275 63.546 0.00328848 -3.53932 63.546000 Cu 0.411338 0.806092 1.23001e-16 170 63.546 0.00454484 -3.53846 63.546000 Cu 0.375965 0.79055 0.5 172 63.546 0.00548192 -3.53848 63.546000 Cu 0.34478 0.80829 6.49906e-18 223 63.546 0.00895818 -3.53687 63.546000 Cu 0.380239 0.82357 0.5 225 63.546 0.00822409 -3.5369 63.546000 Cu 0.415807 0.839119 1.81492e-16 227 63.546 0.00548493 -3.53788 63.546000 Cu 0.349111 0.841232 3.10511e-17 224 63.546 0.0176954 -3.53371 63.546000 Cu 0.544484 0.803472 5.4881e-17 128 63.546 0.000809309 -3.53926 63.546000 Cu 0.477928 0.804656 1.05189e-16 173 63.546 0.000787418 -3.53934 63.546000 Cu 0.482471 0.837856 0 174 63.546 0.000659952 -3.53883 63.546000 Cu 0.513445 0.8207 0.5 175 63.546 0.000298252 -3.53891 63.546000 Cu 0.446857 0.821875 0.5 176 63.546 0.00220427 -3.53908 63.546000 Cu 0.549 0.836821 8.95426e-17 177 63.546 0.000825759 -3.53847 63.546000 Cu 0.610895 0.80202 0 131 63.546 0.00438915 -3.53979 63.546000 Cu 0.615335 0.835518 0 132 63.546 0.00470576 -3.53925 63.546000 Cu 0.579908 0.819503 0.5 133 63.546 0.00207597 -3.53899 63.546000 Cu 0.646198 0.817804 0.5 412 63.546 0.00722645 -3.53999 63.546000 Cu 0.67714 0.799813 1.39369e-16 382 63.546 0.00644579 -3.54028 63.546000 Cu 0.743245 0.796674 0 385 63.546 0.00110954 -3.53928 63.546000 Cu 0.747391 0.830154 7.9433e-17 386 63.546 0.00328848 -3.53932 63.546000 Cu 0.712255 0.815126 0.5 388 63.546 0.00609261 -3.53996 63.546000 Cu 0.68144 0.83343 6.37871e-17 413 63.546 0.0103107 -3.53999 63.546000 Cu 0.80949 0.793228 6.76384e-17 350 63.546 0.00500736 -3.53736 63.546000 Cu 0.875965 0.79055 0 353 63.546 0.00548192 -3.53848 63.546000 Cu 0.84478 0.80829 0.5 356 63.546 0.00895818 -3.53687 63.546000 Cu 0.778367 0.811572 0.5 387 63.546 0.00165356 -3.5381 63.546000 Cu 0.813654 0.826334 0 389 63.546 0.0102439 -3.53521 63.546000 Cu 0.880239 0.82357 1.43942e-16 354 63.546 0.00822409 -3.5369 63.546000 Cu 0.849111 0.841232 0.5 391 63.546 0.0176954 -3.53371 63.546000 Cu 0.977928 0.804656 0.5 318 63.546 0.000787418 -3.53934 63.546000 Cu 0.911338 0.806092 0.5 355 63.546 0.00454484 -3.53846 63.546000 Cu 0.946857 0.821875 1.13132e-16 357 63.546 0.00220427 -3.53908 63.546000 Cu 0.982471 0.837856 0.5 359 63.546 0.000659952 -3.53883 63.546000 Cu 0.915807 0.839119 0.5 360 63.546 0.00548493 -3.53788 63.546000 Cu 0.0845304 0.852981 5.4881e-17 320 63.546 0.00217245 -3.53812 63.546000 Cu 0.0180968 0.853992 2.35892e-17 361 63.546 0.000362791 -3.53843 63.546000 Cu 0.0227104 0.887325 5.4881e-17 362 63.546 0.000729121 -3.53844 63.546000 Cu 0.053688 0.870238 0.5 363 63.546 0.00110752 -3.53782 63.546000 Cu 0.089157 0.886553 0 365 63.546 0.0024951 -3.53668 63.546000 Cu 0.150721 0.851466 4.81412e-19 323 63.546 0.00967985 -3.53899 63.546000 Cu 0.155235 0.885323 5.4881e-17 324 63.546 0.0126713 -3.53632 63.546000 Cu 0.185946 0.867271 0.5 325 63.546 0.0187238 -3.5386 63.546000 Cu 0.119983 0.86915 0.5 326 63.546 0.00514197 -3.53724 63.546000 Cu 0.216602 0.84882 5.4881e-17 274 63.546 0.0129472 -3.5396 63.546000 Cu 0.220911 0.882817 5.4881e-17 327 63.546 0.0306916 -3.53618 63.546000 Cu 0.282581 0.844889 1.95213e-16 277 63.546 0.00380036 -3.53789 63.546000 Cu 0.286632 0.878343 0 278 63.546 0.0139594 -3.53644 63.546000 Cu 0.317906 0.859312 0.5 279 63.546 0.0278668 -3.52995 63.546000 Cu 0.251687 0.863796 0.5 280 63.546 0.00957095 -3.53771 63.546000 Cu 0.321924 0.892096 0.5 284 63.546 0.104339 -3.51734 63.546000 Cu 0.420359 0.872062 4.45306e-17 228 63.546 0.00675066 -3.5376 63.546000 Cu 0.384708 0.85645 0.5 230 63.546 0.0138299 -3.5351 63.546000 Cu 0.353418 0.873985 0 281 63.546 0.0429617 -3.52801 63.546000 Cu 0.389126 0.88918 0.5 283 63.546 0.0235451 -3.53379 63.546000 Cu 0.518097 0.853992 0.5 180 63.546 0.000362791 -3.53843 63.546000 Cu 0.45147 0.854967 0.5 229 63.546 0.00232223 -3.53879 63.546000 Cu 0.487119 0.871061 5.4881e-17 231 63.546 0.000777679 -3.53895 63.546000 Cu 0.52271 0.887325 0.5 233 63.546 0.000729121 -3.53844 63.546000 Cu 0.456018 0.888043 0.5 234 63.546 0.00208266 -3.53892 63.546000 Cu 0.553688 0.870238 5.4881e-17 178 63.546 0.00110752 -3.53782 63.546000 Cu 0.58453 0.852981 0.5 179 63.546 0.00217245 -3.53812 63.546000 Cu 0.619983 0.86915 5.4881e-17 181 63.546 0.00514197 -3.53724 63.546000 Cu 0.589157 0.886553 0.5 183 63.546 0.0024951 -3.53668 63.546000 Cu 0.650721 0.851466 0.5 416 63.546 0.00967985 -3.53899 63.546000 Cu 0.655235 0.885323 0.5 434 63.546 0.0126713 -3.53632 63.546000 Cu 0.685946 0.867271 5.4881e-17 414 63.546 0.0187238 -3.5386 63.546000 Cu 0.716602 0.84882 0.5 415 63.546 0.0129472 -3.5396 63.546000 Cu 0.751687 0.863796 5.4881e-17 417 63.546 0.00957095 -3.53771 63.546000 Cu 0.720911 0.882817 0.5 420 63.546 0.0306916 -3.53618 63.546000 Cu 0.817906 0.859312 2.40706e-19 390 63.546 0.0278668 -3.52995 63.546000 Cu 0.782581 0.844889 0.5 392 63.546 0.00380036 -3.53789 63.546000 Cu 0.853418 0.873985 0.5 396 63.546 0.0429617 -3.52801 63.546000 Cu 0.786632 0.878343 0.5 419 63.546 0.0139594 -3.53644 63.546000 Cu 0.821924 0.892096 6.49906e-18 421 63.546 0.104339 -3.51734 63.546000 Cu 0.884708 0.85645 5.4881e-17 393 63.546 0.0138299 -3.5351 63.546000 Cu 0.95147 0.854967 1.22279e-16 358 63.546 0.00232223 -3.53879 63.546000 Cu 0.987119 0.871061 0.5 364 63.546 0.000777679 -3.53895 63.546000 Cu 0.889126 0.88918 0 394 63.546 0.0235451 -3.53379 63.546000 Cu 0.920359 0.872062 0.5 395 63.546 0.00675066 -3.5376 63.546000 Cu 0.956018 0.888043 5.4881e-17 397 63.546 0.00208266 -3.53892 63.546000 Cu 0.0935237 0.920243 5.4881e-17 366 63.546 0.00312155 -3.53501 63.546000 Cu 0.0581798 0.903721 0.5 368 63.546 0.00132377 -3.5372 63.546000 Cu 0.0270608 0.920717 0 401 63.546 0.0029929 -3.53801 63.546000 Cu 0.0622254 0.937275 0.5 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0.938544 5.4881e-17 335 63.546 0.497165 -3.49612 63.546000 Cu 0.491595 0.904284 0 232 63.546 0.0010849 -3.53907 63.546000 Cu 0.527061 0.920717 0.5 238 63.546 0.0029929 -3.53801 63.546000 Cu 0.46039 0.921121 0.5 287 63.546 0.00317143 -3.53968 63.546000 Cu 0.495638 0.937543 5.4881e-17 289 63.546 0.00979505 -3.53967 63.546000 Cu 0.624488 0.902957 5.4881e-17 182 63.546 0.00568991 -3.53519 63.546000 Cu 0.55818 0.903721 9.82081e-17 235 63.546 0.00132377 -3.5372 63.546000 Cu 0.562225 0.937275 5.4881e-17 236 63.546 0.00919718 -3.53719 63.546000 Cu 0.593524 0.920243 0.5 237 63.546 0.00312155 -3.53501 63.546000 Cu 0.62876 0.936904 6.98048e-17 239 63.546 0.0102021 -3.53162 63.546000 Cu 0.659682 0.919509 0.5 438 63.546 0.0186683 -3.53078 63.546000 Cu 0.755747 0.897787 5.4881e-17 418 63.546 0.0325612 -3.53161 63.546000 Cu 0.690303 0.901452 5.4881e-17 435 63.546 0.0347589 -3.53492 63.546000 Cu 0.694989 0.936221 0 436 63.546 0.08141 -3.52572 63.546000 Cu 0.725008 0.917379 0.5 437 63.546 0.0771716 -3.52532 63.546000 Cu 0.759995 0.932589 8.32843e-17 439 63.546 0.222677 -3.51437 63.546000 Cu 0.825746 0.924475 5.4881e-17 422 63.546 0.584368 -3.46959 63.546000 Cu 0.857523 0.906458 0.5 423 63.546 0.129271 -3.52114 63.546000 Cu 0.790107 0.91229 0.5 424 63.546 0.105247 -3.52484 63.546000 Cu 0.862071 0.938544 0.5 428 63.546 0.497165 -3.49612 63.546000 Cu 0.991595 0.904284 0.5 399 63.546 0.0010849 -3.53907 63.546000 Cu 0.995638 0.937543 0.5 404 63.546 0.00979505 -3.53967 63.546000 Cu 0.96039 0.921121 5.00669e-17 398 63.546 0.00317143 -3.53968 63.546000 Cu 0.924793 0.904949 0.5 400 63.546 0.00664695 -3.53774 63.546000 Cu 0.893546 0.921765 5.4881e-17 425 63.546 0.0347565 -3.53431 63.546000 Cu 0.929006 0.937835 0.5 427 63.546 0.0123147 -3.53894 63.546000 Cu 0.0302988 0.954137 4.81412e-19 402 63.546 0.0244595 -3.53858 63.546000 Cu 0.0969783 0.953948 1.23001e-16 405 63.546 0.0262955 -3.53669 63.546000 Cu 0.0641029 0.970787 0.5 408 63.546 0.0382261 -3.54064 63.546000 Cu 0.0299502 0.987525 5.19925e-17 433 63.546 0.0214657 -3.53817 63.546000 Cu 0.0966462 0.987554 0 406 63.546 0.0243138 -3.53666 63.546000 Cu 0.163657 0.953764 2.4552e-16 370 63.546 0.0366579 -3.52259 63.546000 Cu 0.198786 0.970809 0.5 376 63.546 0.222916 -3.51062 63.546000 Cu 0.1312 0.970737 0.5 407 63.546 0.0719278 -3.53911 63.546000 Cu 0.163348 0.987763 0 409 63.546 0.0361325 -3.52245 63.546000 Cu 0.292958 0.947903 4.81412e-19 332 63.546 5.92643 -3.45345 63.546000 Cu 0.229916 0.953234 2.40706e-19 373 63.546 0.342232 -3.49372 63.546000 Cu 0.229603 0.988409 5.4881e-17 374 63.546 0.337772 -3.49426 63.546000 Cu 0.267997 0.9708 0.5 375 63.546 4.57872 -3.57136 63.546000 Cu 0.29258 0.993856 5.4881e-17 377 63.546 5.91359 -3.45549 63.546000 Cu 0.331276 0.955613 0.5 338 63.546 5.94557 -3.26778 63.546000 Cu 0.330816 0.985886 0.5 378 63.546 5.86184 -3.27418 63.546000 Cu 0.364664 0.970815 5.4881e-17 336 63.546 3.22995 -3.47842 63.546000 Cu 0.397607 0.954408 0.5 337 63.546 0.0618595 -3.53215 63.546000 Cu 0.430913 0.970849 5.4881e-17 339 63.546 0.0335262 -3.54118 63.546000 Cu 0.397255 0.987255 0.5 341 63.546 0.0594091 -3.53188 63.546000 Cu 0.497387 0.970843 1.2276e-16 290 63.546 0.0315249 -3.54045 63.546000 Cu 0.530299 0.954137 0.5 291 63.546 0.0244595 -3.53858 63.546000 Cu 0.463794 0.954275 0.5 292 63.546 0.0289388 -3.53868 63.546000 Cu 0.52995 0.987525 0.5 295 63.546 0.0214657 -3.53817 63.546000 Cu 0.46344 0.987449 0.5 340 63.546 0.0254062 -3.53853 63.546000 Cu 0.6312 0.970737 6.61942e-17 240 63.546 0.0719278 -3.53911 63.546000 Cu 0.596978 0.953948 0.5 241 63.546 0.0262955 -3.53669 63.546000 Cu 0.564103 0.970787 0 293 63.546 0.0382261 -3.54064 63.546000 Cu 0.596646 0.987554 0.5 294 63.546 0.0243138 -3.53666 63.546000 Cu 0.663657 0.953764 0.5 448 63.546 0.0366579 -3.52259 63.546000 Cu 0.663348 0.987763 0.5 452 63.546 0.0361325 -3.52245 63.546000 Cu 0.729916 0.953234 0.5 442 63.546 0.342232 -3.49372 63.546000 Cu 0.767997 0.9708 2.16635e-16 440 63.546 4.57872 -3.57136 63.546000 Cu 0.698786 0.970809 8.25622e-17 449 63.546 0.222916 -3.51062 63.546000 Cu 0.729603 0.988409 0.5 451 63.546 0.337772 -3.49426 63.546000 Cu 0.792958 0.947903 0.5 441 63.546 5.92643 -3.45345 63.546000 Cu 0.831276 0.955613 5.4881e-17 443 63.546 5.94557 -3.26778 63.546000 Cu 0.830816 0.985886 6.40278e-17 444 63.546 5.86184 -3.27418 63.546000 Cu 0.864664 0.970815 0.5 445 63.546 3.22995 -3.47842 63.546000 Cu 0.79258 0.993856 0.5 446 63.546 5.91359 -3.45549 63.546000 Cu 0.997387 0.970843 0.5 431 63.546 0.0315249 -3.54045 63.546000 Cu 0.897607 0.954408 1.60551e-16 426 63.546 0.0618595 -3.53215 63.546000 Cu 0.963794 0.954275 5.4881e-17 429 63.546 0.0289388 -3.53868 63.546000 Cu 0.96344 0.987449 5.4881e-17 430 63.546 0.0254062 -3.53853 63.546000 Cu 0.930913 0.970849 0.5 432 63.546 0.0335262 -3.54118 63.546000 Cu 0.897255 0.987255 5.4881e-17 447 63.546 0.0594091 -3.53188