Number of particles = 904 A = 1 Angstrom (basic length-scale) H0(1,1) = 27.3374 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 77.2017 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.10564 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 0.0217215 0.00308841 0.75 493 63.546 4.82308 -3.46647 63.546000 Cu 0.033857 0.0316204 5.19842e-16 497 63.546 0.0808277 -3.49183 63.546000 Cu 0.101644 0.00751408 1 501 63.546 4.21244 -3.55418 63.546000 Cu 0.0217215 0.00308841 0.25 502 63.546 4.82308 -3.46647 63.546000 Cu 0.033857 0.0316204 0.5 503 63.546 0.0808277 -3.49183 63.546000 Cu 0.101644 0.00751408 0.5 504 63.546 4.21244 -3.55418 63.546000 Cu 0.112014 0.0375851 0.75 523 63.546 0.120763 -3.54674 63.546000 Cu 0.112014 0.0375851 0.25 535 63.546 0.120763 -3.54674 63.546000 Cu 0.183419 0.0172843 0.75 531 63.546 5.82744 -3.49531 63.546000 Cu 0.183419 0.0172843 0.25 532 63.546 5.82744 -3.49531 63.546000 Cu 0.190802 0.0460046 3.24477e-17 533 63.546 0.0404388 -3.51727 63.546000 Cu 0.26141 0.0241727 1 534 63.546 3.76327 -3.51659 63.546000 Cu 0.190802 0.0460046 0.5 537 63.546 0.0404388 -3.51727 63.546000 Cu 0.329129 0.00303341 1.73621e-16 538 63.546 4.75725 -3.46871 63.546000 Cu 0.26141 0.0241727 0.5 539 63.546 3.76327 -3.51659 63.546000 Cu 0.329129 0.00303341 0.5 540 63.546 4.75725 -3.46871 63.546000 Cu 0.269751 0.0527694 0.75 576 63.546 0.00050592 -3.54 63.546000 Cu 0.269751 0.0527694 0.25 577 63.546 0.00050592 -3.54 63.546000 Cu 0.340719 0.0312655 0.75 575 63.546 0.0853437 -3.49127 63.546000 Cu 0.340719 0.0312655 0.25 587 63.546 0.0853437 -3.49127 63.546000 Cu 0.409043 0.00725556 0.75 583 63.546 4.25437 -3.56546 63.546000 Cu 0.409043 0.00725556 0.25 584 63.546 4.25437 -3.56546 63.546000 Cu 0.419063 0.0370269 6.93378e-16 585 63.546 0.133549 -3.55067 63.546000 Cu 0.491337 0.0170719 5.41078e-17 586 63.546 5.94188 -3.48927 63.546000 Cu 0.419063 0.0370269 0.5 589 63.546 0.133549 -3.55067 63.546000 Cu 0.491337 0.0170719 0.5 590 63.546 5.94188 -3.48927 63.546000 Cu 0.498153 0.0453265 0.75 638 63.546 0.0531871 -3.5106 63.546000 Cu 0.498153 0.0453265 0.25 639 63.546 0.0531871 -3.5106 63.546000 Cu 0.639782 0.00283852 0.75 459 63.546 5.98365 -3.47591 63.546000 Cu 0.639782 0.00283852 0.25 460 63.546 5.98365 -3.47591 63.546000 Cu 0.649317 0.030318 1.03799e-15 461 63.546 0.627848 -3.4534 63.546000 Cu 0.649317 0.030318 0.5 463 63.546 0.627848 -3.4534 63.546000 Cu 0.569763 0.0234798 0.75 637 63.546 3.82337 -3.5202 63.546000 Cu 0.577253 0.0517474 5.18738e-16 641 63.546 0.00299507 -3.53791 63.546000 Cu 0.569763 0.0234798 0.25 645 63.546 3.82337 -3.5202 63.546000 Cu 0.577253 0.0517474 0.5 646 63.546 0.00299507 -3.53791 63.546000 Cu 0.721292 0.00177508 5.20522e-16 462 63.546 2.54828 -3.53142 63.546000 Cu 0.721292 0.00177508 0.5 464 63.546 2.54828 -3.53142 63.546000 Cu 0.798288 0.00982508 0.75 467 63.546 4.65293 -3.48863 63.546000 Cu 0.728258 0.0319935 0.75 468 63.546 0.479103 -3.54263 63.546000 Cu 0.728258 0.0319935 0.25 469 63.546 0.479103 -3.54263 63.546000 Cu 0.806337 0.039305 8.19261e-16 471 63.546 0.00565898 -3.53425 63.546000 Cu 0.798288 0.00982508 0.25 476 63.546 4.65293 -3.48863 63.546000 Cu 0.806337 0.039305 0.5 477 63.546 0.00565898 -3.53425 63.546000 Cu 0.877655 0.0178507 0 475 63.546 6.10317 -3.49564 63.546000 Cu 0.877655 0.0178507 0.5 478 63.546 6.10317 -3.49564 63.546000 Cu 0.884562 0.0467717 0.75 485 63.546 0.0153523 -3.52653 63.546000 Cu 0.954909 0.0245097 0.75 494 63.546 3.90372 -3.50756 63.546000 Cu 0.954909 0.0245097 0.25 495 63.546 3.90372 -3.50756 63.546000 Cu 0.963227 0.0533656 5.19502e-16 496 63.546 0.00162425 -3.54244 63.546000 Cu 0.884562 0.0467717 0.25 498 63.546 0.0153523 -3.52653 63.546000 Cu 0.963227 0.0533656 0.5 500 63.546 0.00162425 -3.54244 63.546000 Cu 0.0419118 0.0602324 0.75 524 63.546 0.00485176 -3.52982 63.546000 Cu 0.0419118 0.0602324 0.25 525 63.546 0.00485176 -3.52982 63.546000 Cu 0.0500863 0.0889378 1 526 63.546 0.000400846 -3.53643 63.546000 Cu 0.120235 0.0668713 3.98376e-17 527 63.546 0.0217116 -3.54697 63.546000 Cu 0.0500863 0.0889378 0.5 530 63.546 0.000400846 -3.53643 63.546000 Cu 0.120235 0.0668713 0.5 536 63.546 0.0217116 -3.54697 63.546000 Cu 0.128667 0.0957759 0.75 568 63.546 0.00389877 -3.54435 63.546000 Cu 0.128667 0.0957759 0.25 569 63.546 0.00389877 -3.54435 63.546000 Cu 0.199137 0.0744576 0.75 567 63.546 0.00817192 -3.53123 63.546000 Cu 0.207554 0.102969 1 571 63.546 0.00196137 -3.53685 63.546000 Cu 0.277998 0.0812619 2.93218e-16 578 63.546 0.000131287 -3.54042 63.546000 Cu 0.199137 0.0744576 0.25 580 63.546 0.00817192 -3.53123 63.546000 Cu 0.207554 0.102969 0.5 581 63.546 0.00196137 -3.53685 63.546000 Cu 0.277998 0.0812619 0.5 582 63.546 0.000131287 -3.54042 63.546000 Cu 0.286468 0.10978 0.75 621 63.546 0.000115577 -3.54095 63.546000 Cu 0.286468 0.10978 0.25 634 63.546 0.000115577 -3.54095 63.546000 Cu 0.348649 0.0596072 1 579 63.546 0.00757758 -3.52844 63.546000 Cu 0.348649 0.0596072 0.5 588 63.546 0.00757758 -3.52844 63.546000 Cu 0.427189 0.0660384 0.75 629 63.546 0.0245939 -3.54972 63.546000 Cu 0.356874 0.0880556 0.75 630 63.546 0.000982629 -3.53612 63.546000 Cu 0.356874 0.0880556 0.25 631 63.546 0.000982629 -3.53612 63.546000 Cu 0.435703 0.0946918 5.09649e-19 633 63.546 0.00424285 -3.5454 63.546000 Cu 0.427189 0.0660384 0.25 642 63.546 0.0245939 -3.54972 63.546000 Cu 0.435703 0.0946918 0.5 643 63.546 0.00424285 -3.5454 63.546000 Cu 0.506376 0.0734621 5.00645e-16 640 63.546 0.0132785 -3.52897 63.546000 Cu 0.506376 0.0734621 0.5 644 63.546 0.0132785 -3.52897 63.546000 Cu 0.656657 0.0580551 0.75 465 63.546 0.208745 -3.5059 63.546000 Cu 0.664955 0.085998 1 466 63.546 0.0648223 -3.52026 63.546000 Cu 0.656657 0.0580551 0.25 472 63.546 0.208745 -3.5059 63.546000 Cu 0.664955 0.085998 0.5 473 63.546 0.0648223 -3.52026 63.546000 Cu 0.514905 0.101669 0.75 689 63.546 0.00444096 -3.53523 63.546000 Cu 0.585563 0.0798974 0.75 697 63.546 0.00166959 -3.53902 63.546000 Cu 0.585563 0.0798974 0.25 698 63.546 0.00166959 -3.53902 63.546000 Cu 0.594125 0.10807 1.74385e-16 699 63.546 0.0018092 -3.53874 63.546000 Cu 0.514905 0.101669 0.25 700 63.546 0.00444096 -3.53523 63.546000 Cu 0.594125 0.10807 0.5 702 63.546 0.0018092 -3.53874 63.546000 Cu 0.735769 0.0614601 1 470 63.546 0.184939 -3.55508 63.546000 Cu 0.735769 0.0614601 0.5 474 63.546 0.184939 -3.55508 63.546000 Cu 0.743817 0.0905726 0.75 479 63.546 0.0647141 -3.5496 63.546000 Cu 0.81408 0.0683907 0.75 486 63.546 0.00330452 -3.53423 63.546000 Cu 0.81408 0.0683907 0.25 487 63.546 0.00330452 -3.53423 63.546000 Cu 0.822404 0.0972461 1.03985e-15 488 63.546 0.00112136 -3.53799 63.546000 Cu 0.743817 0.0905726 0.25 490 63.546 0.0647141 -3.5496 63.546000 Cu 0.822404 0.0972461 0.5 492 63.546 0.00112136 -3.53799 63.546000 Cu 0.892743 0.0753905 1 489 63.546 0.00142935 -3.53464 63.546000 Cu 0.892743 0.0753905 0.5 499 63.546 0.00142935 -3.53464 63.546000 Cu 0.97144 0.0820801 0.75 515 63.546 0.00053099 -3.54101 63.546000 Cu 0.901132 0.104059 0.75 516 63.546 0.000143656 -3.53784 63.546000 Cu 0.901132 0.104059 0.25 517 63.546 0.000143656 -3.53784 63.546000 Cu 0.97144 0.0820801 0.25 528 63.546 0.00053099 -3.54101 63.546000 Cu 0.979866 0.110797 1 519 63.546 0.000248557 -3.54034 63.546000 Cu 0.979866 0.110797 0.5 529 63.546 0.000248557 -3.54034 63.546000 Cu 0.0585533 0.117652 0.75 559 63.546 6.2996e-05 -3.53871 63.546000 Cu 0.0672078 0.146357 3.85635e-16 563 63.546 4.73972e-05 -3.53946 63.546000 Cu 0.137267 0.124531 3.18446e-16 570 63.546 0.000753747 -3.5419 63.546000 Cu 0.0585533 0.117652 0.25 572 63.546 6.2996e-05 -3.53871 63.546000 Cu 0.0672078 0.146357 0.5 573 63.546 4.73972e-05 -3.53946 63.546000 Cu 0.137267 0.124531 0.5 574 63.546 0.000753747 -3.5419 63.546000 Cu 0.145973 0.153222 0.75 613 63.546 0.00022995 -3.54056 63.546000 Cu 0.145973 0.153222 0.25 626 63.546 0.00022995 -3.54056 63.546000 Cu 0.216162 0.131535 0.75 622 63.546 0.000679133 -3.53891 63.546000 Cu 0.216162 0.131535 0.25 623 63.546 0.000679133 -3.53891 63.546000 Cu 0.224887 0.160101 3.47496e-16 624 63.546 0.000349936 -3.53925 63.546000 Cu 0.29511 0.138312 1 625 63.546 0.000123927 -3.54026 63.546000 Cu 0.224887 0.160101 0.5 628 63.546 0.000349936 -3.53925 63.546000 Cu 0.29511 0.138312 0.5 635 63.546 0.000123927 -3.54026 63.546000 Cu 0.365429 0.116526 5.19842e-16 632 63.546 0.000124115 -3.53858 63.546000 Cu 0.365429 0.116526 0.5 636 63.546 0.000124115 -3.53858 63.546000 Cu 0.374094 0.144999 0.75 681 63.546 6.61069e-05 -3.53938 63.546000 Cu 0.444388 0.123184 0.75 690 63.546 0.00077159 -3.54212 63.546000 Cu 0.444388 0.123184 0.25 691 63.546 0.00077159 -3.54212 63.546000 Cu 0.453143 0.15164 1 692 63.546 0.000197504 -3.54112 63.546000 Cu 0.374094 0.144999 0.25 694 63.546 6.61069e-05 -3.53938 63.546000 Cu 0.453143 0.15164 0.5 696 63.546 0.000197504 -3.54112 63.546000 Cu 0.523553 0.129939 1 693 63.546 0.00214231 -3.53777 63.546000 Cu 0.523553 0.129939 0.5 701 63.546 0.00214231 -3.53777 63.546000 Cu 0.602788 0.136294 0.75 749 63.546 0.00130228 -3.5384 63.546000 Cu 0.532339 0.158246 0.75 750 63.546 0.00115638 -3.53892 63.546000 Cu 0.532339 0.158246 0.25 751 63.546 0.00115638 -3.53892 63.546000 Cu 0.611588 0.164566 1 753 63.546 0.000622007 -3.53858 63.546000 Cu 0.602788 0.136294 0.25 757 63.546 0.00130228 -3.5384 63.546000 Cu 0.611588 0.164566 0.5 758 63.546 0.000622007 -3.53858 63.546000 Cu 0.673376 0.11412 0.75 480 63.546 0.0182331 -3.52856 63.546000 Cu 0.673376 0.11412 0.25 481 63.546 0.0182331 -3.52856 63.546000 Cu 0.681965 0.14237 1 482 63.546 0.00454599 -3.53379 63.546000 Cu 0.752221 0.119432 5.69193e-16 483 63.546 0.0225544 -3.54672 63.546000 Cu 0.681965 0.14237 0.5 484 63.546 0.00454599 -3.53379 63.546000 Cu 0.752221 0.119432 0.5 491 63.546 0.0225544 -3.54672 63.546000 Cu 0.830951 0.126002 0.75 507 63.546 0.000654594 -3.53878 63.546000 Cu 0.76085 0.148159 0.75 508 63.546 0.00770549 -3.54419 63.546000 Cu 0.76085 0.148159 0.25 509 63.546 0.00770549 -3.54419 63.546000 Cu 0.830951 0.126002 0.25 520 63.546 0.000654594 -3.53878 63.546000 Cu 0.839642 0.154696 1 511 63.546 0.000640464 -3.53927 63.546000 Cu 0.839642 0.154696 0.5 521 63.546 0.000640464 -3.53927 63.546000 Cu 0.909713 0.132731 2.54825e-19 518 63.546 9.5238e-05 -3.53867 63.546000 Cu 0.909713 0.132731 0.5 522 63.546 9.5238e-05 -3.53867 63.546000 Cu 0.918468 0.161423 0.75 551 63.546 0.000115957 -3.53986 63.546000 Cu 0.988458 0.139512 0.75 560 63.546 0.000117243 -3.54026 63.546000 Cu 0.988458 0.139512 0.25 561 63.546 0.000117243 -3.54026 63.546000 Cu 0.918468 0.161423 0.25 564 63.546 0.000115957 -3.53986 63.546000 Cu 0.0759856 0.175051 0.75 614 63.546 9.91809e-05 -3.53947 63.546000 Cu 0.0759856 0.175051 0.25 615 63.546 9.91809e-05 -3.53947 63.546000 Cu 0.0849423 0.203738 1.73026e-16 616 63.546 2.43202e-05 -3.54017 63.546000 Cu 0.154818 0.181876 1 617 63.546 0.000146328 -3.54057 63.546000 Cu 0.0849423 0.203738 0.5 620 63.546 2.43202e-05 -3.54017 63.546000 Cu 0.154818 0.181876 0.5 627 63.546 0.000146328 -3.54057 63.546000 Cu 0.163816 0.210528 0.75 674 63.546 0.000102987 -3.54034 63.546000 Cu 0.163816 0.210528 0.25 675 63.546 0.000102987 -3.54034 63.546000 Cu 0.00611777 0.196952 0.75 605 63.546 2.76894e-05 -3.54013 63.546000 Cu 0.00611777 0.196952 0.25 618 63.546 2.76894e-05 -3.54013 63.546000 Cu 0.233773 0.188664 0.75 673 63.546 0.000237501 -3.53995 63.546000 Cu 0.242722 0.217234 1.39134e-16 677 63.546 0.000189245 -3.53975 63.546000 Cu 0.303857 0.166825 0.75 682 63.546 0.00016132 -3.53953 63.546000 Cu 0.303857 0.166825 0.25 683 63.546 0.00016132 -3.53953 63.546000 Cu 0.312772 0.195319 1 684 63.546 6.71587e-05 -3.53967 63.546000 Cu 0.233773 0.188664 0.25 686 63.546 0.000237501 -3.53995 63.546000 Cu 0.242722 0.217234 0.5 687 63.546 0.000189245 -3.53975 63.546000 Cu 0.312772 0.195319 0.5 688 63.546 6.71587e-05 -3.53967 63.546000 Cu 0.3829 0.173463 1 685 63.546 7.68546e-05 -3.54006 63.546000 Cu 0.3829 0.173463 0.5 695 63.546 7.68546e-05 -3.54006 63.546000 Cu 0.462038 0.180063 0.75 741 63.546 0.00014373 -3.54036 63.546000 Cu 0.391848 0.201922 0.75 742 63.546 8.79678e-05 -3.54034 63.546000 Cu 0.391848 0.201922 0.25 743 63.546 8.79678e-05 -3.54034 63.546000 Cu 0.470992 0.208448 1.7379e-16 745 63.546 9.49932e-05 -3.53935 63.546000 Cu 0.462038 0.180063 0.25 754 63.546 0.00014373 -3.54036 63.546000 Cu 0.470992 0.208448 0.5 755 63.546 9.49932e-05 -3.53935 63.546000 Cu 0.541279 0.186578 5.19927e-16 752 63.546 0.000665841 -3.5391 63.546000 Cu 0.541279 0.186578 0.5 756 63.546 0.000665841 -3.5391 63.546000 Cu 0.550234 0.214907 0.75 801 63.546 0.000280456 -3.53901 63.546000 Cu 0.620511 0.19288 0.75 809 63.546 0.000207443 -3.53884 63.546000 Cu 0.620511 0.19288 0.25 810 63.546 0.000207443 -3.53884 63.546000 Cu 0.629427 0.221241 1 811 63.546 0.000100078 -3.53942 63.546000 Cu 0.550234 0.214907 0.25 812 63.546 0.000280456 -3.53901 63.546000 Cu 0.629427 0.221241 0.5 814 63.546 0.000100078 -3.53942 63.546000 Cu 0.690749 0.170712 0.75 505 63.546 0.00106628 -3.53696 63.546000 Cu 0.699642 0.199121 1 506 63.546 0.000384647 -3.53897 63.546000 Cu 0.769677 0.176817 1 510 63.546 0.00262182 -3.54229 63.546000 Cu 0.690749 0.170712 0.25 512 63.546 0.00106628 -3.53696 63.546000 Cu 0.699642 0.199121 0.5 513 63.546 0.000384647 -3.53897 63.546000 Cu 0.769677 0.176817 0.5 514 63.546 0.00262182 -3.54229 63.546000 Cu 0.778583 0.205438 0.75 543 63.546 0.00107012 -3.54098 63.546000 Cu 0.778583 0.205438 0.25 556 63.546 0.00107012 -3.54098 63.546000 Cu 0.8485 0.183368 0.75 552 63.546 0.000663224 -3.53998 63.546000 Cu 0.8485 0.183368 0.25 553 63.546 0.000663224 -3.53998 63.546000 Cu 0.857437 0.212044 5.18993e-16 554 63.546 0.000442369 -3.54017 63.546000 Cu 0.927336 0.190136 1 555 63.546 3.8877e-05 -3.53994 63.546000 Cu 0.857437 0.212044 0.5 558 63.546 0.000442369 -3.54017 63.546000 Cu 0.997224 0.168232 5.19502e-16 562 63.546 3.79891e-05 -3.54003 63.546000 Cu 0.927336 0.190136 0.5 565 63.546 3.8877e-05 -3.53994 63.546000 Cu 0.997224 0.168232 0.5 566 63.546 3.79891e-05 -3.54003 63.546000 Cu 0.936241 0.21883 0.75 606 63.546 2.90323e-05 -3.53961 63.546000 Cu 0.936241 0.21883 0.25 607 63.546 2.90323e-05 -3.53961 63.546000 Cu 0.0150811 0.225658 0 609 63.546 8.58089e-05 -3.54031 63.546000 Cu 0.0150811 0.225658 0.5 619 63.546 8.58089e-05 -3.54031 63.546000 Cu 0.0939122 0.232423 0.75 665 63.546 2.25513e-05 -3.53997 63.546000 Cu 0.024011 0.254347 0.75 666 63.546 0.00017243 -3.54044 63.546000 Cu 0.024011 0.254347 0.25 667 63.546 0.00017243 -3.54044 63.546000 Cu 0.102826 0.261092 1 669 63.546 6.98848e-05 -3.5393 63.546000 Cu 0.0939122 0.232423 0.25 678 63.546 2.25513e-05 -3.53997 63.546000 Cu 0.102826 0.261092 0.5 679 63.546 6.98848e-05 -3.5393 63.546000 Cu 0.172759 0.239161 1 676 63.546 0.000127197 -3.53981 63.546000 Cu 0.172759 0.239161 0.5 680 63.546 0.000127197 -3.53981 63.546000 Cu 0.181707 0.26778 0.75 725 63.546 0.00017706 -3.54049 63.546000 Cu 0.321694 0.223819 0.75 733 63.546 8.61604e-05 -3.54003 63.546000 Cu 0.251649 0.245798 0.75 734 63.546 0.000212449 -3.54007 63.546000 Cu 0.251649 0.245798 0.25 735 63.546 0.000212449 -3.54007 63.546000 Cu 0.260634 0.274352 3.24477e-17 736 63.546 0.000301821 -3.54016 63.546000 Cu 0.330642 0.252312 1 737 63.546 0.000113472 -3.53958 63.546000 Cu 0.181707 0.26778 0.25 738 63.546 0.00017706 -3.54049 63.546000 Cu 0.260634 0.274352 0.5 740 63.546 0.000301821 -3.54016 63.546000 Cu 0.321694 0.223819 0.25 746 63.546 8.61604e-05 -3.54003 63.546000 Cu 0.330642 0.252312 0.5 747 63.546 0.000113472 -3.53958 63.546000 Cu 0.400787 0.23037 3.46052e-16 744 63.546 0.000156004 -3.54026 63.546000 Cu 0.400787 0.23037 0.5 748 63.546 0.000156004 -3.54026 63.546000 Cu 0.409726 0.258792 0.75 793 63.546 0.00015591 -3.54015 63.546000 Cu 0.47993 0.236812 0.75 802 63.546 5.26622e-05 -3.53899 63.546000 Cu 0.47993 0.236812 0.25 803 63.546 5.26622e-05 -3.53899 63.546000 Cu 0.488874 0.265163 1.03985e-15 804 63.546 0.000160537 -3.53893 63.546000 Cu 0.409726 0.258792 0.25 806 63.546 0.00015591 -3.54015 63.546000 Cu 0.488874 0.265163 0.5 808 63.546 0.000160537 -3.53893 63.546000 Cu 0.638323 0.249629 0.75 541 63.546 0.000131771 -3.53924 63.546000 Cu 0.638323 0.249629 0.25 548 63.546 0.000131771 -3.53924 63.546000 Cu 0.559152 0.243248 9.07176e-17 805 63.546 9.11812e-05 -3.53906 63.546000 Cu 0.559152 0.243248 0.5 813 63.546 9.11812e-05 -3.53906 63.546000 Cu 0.568091 0.271595 0.75 851 63.546 2.86604e-05 -3.53909 63.546000 Cu 0.568091 0.271595 0.25 852 63.546 2.86604e-05 -3.53909 63.546000 Cu 0.708536 0.227585 0.75 544 63.546 0.000267957 -3.54003 63.546000 Cu 0.708536 0.227585 0.25 545 63.546 0.000267957 -3.54003 63.546000 Cu 0.71738 0.256087 4.85526e-16 546 63.546 0.000171587 -3.5402 63.546000 Cu 0.787446 0.234022 4.73634e-16 547 63.546 0.000773034 -3.5398 63.546000 Cu 0.71738 0.256087 0.5 550 63.546 0.000171587 -3.5402 63.546000 Cu 0.787446 0.234022 0.5 557 63.546 0.000773034 -3.5398 63.546000 Cu 0.796287 0.262603 0.75 598 63.546 0.000701513 -3.53991 63.546000 Cu 0.796287 0.262603 0.25 599 63.546 0.000701513 -3.53991 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25 63.546 0.00129239 -3.54186 63.546000 Cu 0.114767 0.546803 0.75 34 63.546 0.0142595 -3.52715 63.546000 Cu 0.0360655 0.553435 3.46307e-16 35 63.546 0.00129239 -3.54186 63.546000 Cu 0.201443 0.509793 0.75 887 63.546 4.58366 -3.49289 63.546000 Cu 0.201443 0.509793 0.25 892 63.546 4.58366 -3.49289 63.546000 Cu 0.27882 0.501978 0.5 1 63.546 2.30993 -3.53348 63.546000 Cu 0.27882 0.501978 3.40616e-16 3 63.546 2.30993 -3.53348 63.546000 Cu 0.271159 0.532107 0.25 8 63.546 0.405157 -3.54143 63.546000 Cu 0.271159 0.532107 0.75 9 63.546 0.405157 -3.54143 63.546000 Cu 0.193053 0.539312 0.5 10 63.546 0.00694945 -3.53485 63.546000 Cu 0.193053 0.539312 1 14 63.546 0.00694945 -3.53485 63.546000 Cu 0.350034 0.530122 0.5 2 63.546 0.539917 -3.45683 63.546000 Cu 0.350034 0.530122 1 4 63.546 0.539917 -3.45683 63.546000 Cu 0.429755 0.523409 0.25 129 63.546 3.83651 -3.51932 63.546000 Cu 0.360278 0.502692 0.25 130 63.546 5.9091 -3.47101 63.546000 Cu 0.360278 0.502692 0.75 131 63.546 5.9091 -3.47101 63.546000 Cu 0.421907 0.551667 0.5 135 63.546 0.0021178 -3.53834 63.546000 Cu 0.429755 0.523409 0.75 137 63.546 3.83651 -3.51932 63.546000 Cu 0.421907 0.551667 3.4104e-16 138 63.546 0.0021178 -3.53834 63.546000 Cu 0.508135 0.517086 0.5 84 63.546 5.96528 -3.49164 63.546000 Cu 0.580166 0.537207 0.5 85 63.546 0.109034 -3.55043 63.546000 Cu 0.508135 0.517086 2.3189e-17 86 63.546 5.96528 -3.49164 63.546000 Cu 0.580166 0.537207 1 93 63.546 0.109034 -3.55043 63.546000 Cu 0.501052 0.545353 0.25 133 63.546 0.050435 -3.51191 63.546000 Cu 0.501052 0.545353 0.75 134 63.546 0.050435 -3.51191 63.546000 Cu 0.590384 0.507529 0.75 760 63.546 4.20196 -3.56058 63.546000 Cu 0.590384 0.507529 0.25 761 63.546 4.20196 -3.56058 63.546000 Cu 0.658624 0.531329 0.25 81 63.546 0.0724614 -3.49272 63.546000 Cu 0.658624 0.531329 0.75 92 63.546 0.0724614 -3.49272 63.546000 Cu 0.670205 0.503035 0.5 45 63.546 4.75891 -3.47141 63.546000 Cu 0.815993 0.517344 0.25 47 63.546 5.81617 -3.49633 63.546000 Cu 0.815993 0.517344 0.75 48 63.546 5.81617 -3.49633 63.546000 Cu 0.737869 0.524241 0.5 49 63.546 3.76452 -3.51744 63.546000 Cu 0.808411 0.546067 0.5 50 63.546 0.0405543 -3.51742 63.546000 Cu 0.670205 0.503035 1.69883e-19 51 63.546 4.75891 -3.47141 63.546000 Cu 0.737869 0.524241 1 52 63.546 3.76452 -3.51744 63.546000 Cu 0.808411 0.546067 0 59 63.546 0.0405543 -3.51742 63.546000 Cu 0.729459 0.552851 0.25 88 63.546 0.000365278 -3.5393 63.546000 Cu 0.729459 0.552851 0.75 89 63.546 0.000365278 -3.5393 63.546000 Cu 0.897843 0.507536 1 818 63.546 4.21793 -3.55779 63.546000 Cu 0.897843 0.507536 0.5 825 63.546 4.21793 -3.55779 63.546000 Cu 0.977966 0.503191 0.25 19 63.546 4.78814 -3.46715 63.546000 Cu 0.965593 0.531681 0.5 24 63.546 0.0823311 -3.49249 63.546000 Cu 0.977966 0.503191 0.75 26 63.546 4.78814 -3.46715 63.546000 Cu 0.965593 0.531681 1 28 63.546 0.0823311 -3.49249 63.546000 Cu 0.88734 0.537626 0.25 46 63.546 0.12501 -3.54682 63.546000 Cu 0.88734 0.537626 0.75 58 63.546 0.12501 -3.54682 63.546000 Cu 0.106447 0.575452 0.5 32 63.546 0.00160172 -3.53523 63.546000 Cu 0.106447 0.575452 3.24477e-17 36 63.546 0.00160172 -3.53523 63.546000 Cu 0.0277467 0.582152 0.25 53 63.546 0.000274396 -3.54069 63.546000 Cu 0.0980443 0.604126 0.25 62 63.546 0.000213385 -3.5379 63.546000 Cu 0.0980443 0.604126 0.75 63 63.546 0.000213385 -3.5379 63.546000 Cu 0.0277467 0.582152 0.75 66 63.546 0.000274396 -3.54069 63.546000 Cu 0.0193358 0.610857 0.5 64 63.546 0.000142786 -3.54055 63.546000 Cu 0.0193358 0.610857 1.94516e-17 68 63.546 0.000142786 -3.54055 63.546000 Cu 0.263485 0.561517 0.5 11 63.546 0.155911 -3.55422 63.546000 Cu 0.263485 0.561517 7.81462e-17 17 63.546 0.155911 -3.55422 63.546000 Cu 0.255316 0.5906 0.25 29 63.546 0.0538187 -3.5487 63.546000 Cu 0.185143 0.568415 0.25 30 63.546 0.00346789 -3.53523 63.546000 Cu 0.185143 0.568415 0.75 31 63.546 0.00346789 -3.53523 63.546000 Cu 0.17675 0.597273 0.5 33 63.546 0.00121166 -3.5383 63.546000 Cu 0.255316 0.5906 0.75 41 63.546 0.0538187 -3.5487 63.546000 Cu 0.17675 0.597273 5.53054e-16 42 63.546 0.00121166 -3.5383 63.546000 Cu 0.342513 0.557879 0.25 7 63.546 0.168944 -3.50755 63.546000 Cu 0.334154 0.585848 0.5 15 63.546 0.0498604 -3.52209 63.546000 Cu 0.342513 0.557879 0.75 16 63.546 0.168944 -3.50755 63.546000 Cu 0.334154 0.585848 1.78377e-18 18 63.546 0.0498604 -3.52209 63.546000 Cu 0.484199 0.60167 0.25 187 63.546 0.0049677 -3.53544 63.546000 Cu 0.413514 0.579806 0.25 188 63.546 0.00113932 -3.5385 63.546000 Cu 0.413514 0.579806 0.75 189 63.546 0.00113932 -3.5385 63.546000 Cu 0.40496 0.607966 0.5 190 63.546 0.00103778 -3.53886 63.546000 Cu 0.484199 0.60167 0.75 196 63.546 0.0049677 -3.53544 63.546000 Cu 0.40496 0.607966 1.87721e-17 197 63.546 0.00103778 -3.53886 63.546000 Cu 0.49271 0.573481 0.5 136 63.546 0.0136949 -3.52964 63.546000 Cu 0.49271 0.573481 1 145 63.546 0.0136949 -3.52964 63.546000 Cu 0.650518 0.559673 0.5 90 63.546 0.00561002 -3.52935 63.546000 Cu 0.650518 0.559673 9.23315e-17 94 63.546 0.00561002 -3.52935 63.546000 Cu 0.571935 0.566155 0.25 132 63.546 0.01902 -3.54871 63.546000 Cu 0.642235 0.588128 0.25 140 63.546 0.000714945 -3.5366 63.546000 Cu 0.642235 0.588128 0.75 141 63.546 0.000714945 -3.5366 63.546000 Cu 0.563398 0.594768 0.5 142 63.546 0.00313174 -3.5449 63.546000 Cu 0.571935 0.566155 0.75 144 63.546 0.01902 -3.54871 63.546000 Cu 0.563398 0.594768 1 146 63.546 0.00313174 -3.5449 63.546000 Cu 0.800035 0.574514 0.25 87 63.546 0.00841361 -3.5319 63.546000 Cu 0.721106 0.581341 0.5 91 63.546 6.33861e-05 -3.54062 63.546000 Cu 0.791553 0.603042 0.5 98 63.546 0.00235341 -3.53708 63.546000 Cu 0.800035 0.574514 0.75 100 63.546 0.00841361 -3.5319 63.546000 Cu 0.721106 0.581341 1.73536e-16 101 63.546 6.33861e-05 -3.54062 63.546000 Cu 0.791553 0.603042 9.71731e-17 102 63.546 0.00235341 -3.53708 63.546000 Cu 0.712676 0.609859 0.25 139 63.546 0.000113135 -3.54054 63.546000 Cu 0.712676 0.609859 0.75 152 63.546 0.000113135 -3.54054 63.546000 Cu 0.957382 0.560281 0.25 54 63.546 0.00466588 -3.52891 63.546000 Cu 0.957382 0.560281 0.75 55 63.546 0.00466588 -3.52891 63.546000 Cu 0.879037 0.566896 0.5 56 63.546 0.023889 -3.54697 63.546000 Cu 0.949097 0.588977 0.5 57 63.546 0.000330554 -3.53633 63.546000 Cu 0.879037 0.566896 7.1181e-17 60 63.546 0.023889 -3.54697 63.546000 Cu 0.949097 0.588977 1.73705e-16 67 63.546 0.000330554 -3.53633 63.546000 Cu 0.870488 0.595805 0.25 96 63.546 0.00455897 -3.54451 63.546000 Cu 0.870488 0.595805 0.75 97 63.546 0.00455897 -3.54451 63.546000 Cu 0.0895693 0.632807 0.5 65 63.546 2.04316e-05 -3.53894 63.546000 Cu 0.0895693 0.632807 1.73196e-16 75 63.546 2.04316e-05 -3.53894 63.546000 Cu 0.0811009 0.661469 0.25 103 63.546 1.87248e-05 -3.53959 63.546000 Cu 0.0108082 0.639552 0.25 104 63.546 7.33935e-05 -3.54018 63.546000 Cu 0.0108082 0.639552 0.75 105 63.546 7.33935e-05 -3.54018 63.546000 Cu 0.0811009 0.661469 0.75 116 63.546 1.87248e-05 -3.53959 63.546000 Cu 0.15985 0.654747 0.5 72 63.546 0.000310992 -3.5398 63.546000 Cu 0.15985 0.654747 1.92732e-16 76 63.546 0.000310992 -3.5398 63.546000 Cu 0.246915 0.619431 0.5 39 63.546 0.0198017 -3.54556 63.546000 Cu 0.317311 0.642289 0.5 40 63.546 0.00359329 -3.53465 63.546000 Cu 0.246915 0.619431 8.49415e-20 43 63.546 0.0198017 -3.54556 63.546000 Cu 0.317311 0.642289 2.55164e-16 44 63.546 0.00359329 -3.53465 63.546000 Cu 0.168253 0.626043 0.25 61 63.546 0.000559586 -3.53924 63.546000 Cu 0.238544 0.648147 0.25 70 63.546 0.00759284 -3.54351 63.546000 Cu 0.238544 0.648147 0.75 71 63.546 0.00759284 -3.54351 63.546000 Cu 0.168253 0.626043 0.75 74 63.546 0.000559586 -3.53924 63.546000 Cu 0.325717 0.614001 0.25 37 63.546 0.0136937 -3.53047 63.546000 Cu 0.325717 0.614001 0.75 38 63.546 0.0136937 -3.53047 63.546000 Cu 0.475599 0.62992 0.5 194 63.546 0.00227114 -3.53741 63.546000 Cu 0.475599 0.62992 3.80538e-16 198 63.546 0.00227114 -3.53741 63.546000 Cu 0.396421 0.636192 0.25 243 63.546 0.000636285 -3.53874 63.546000 Cu 0.467019 0.658197 0.25 245 63.546 0.000985543 -3.53809 63.546000 Cu 0.467019 0.658197 0.75 246 63.546 0.000985543 -3.53809 63.546000 Cu 0.387891 0.664483 0.5 247 63.546 0.00035923 -3.53882 63.546000 Cu 0.396421 0.636192 0.75 249 63.546 0.000636285 -3.53874 63.546000 Cu 0.387891 0.664483 8.49415e-20 250 63.546 0.00035923 -3.53882 63.546000 Cu 0.633716 0.616599 0.5 143 63.546 0.000140933 -3.5391 63.546000 Cu 0.633716 0.616599 3.46731e-16 153 63.546 0.000140933 -3.5391 63.546000 Cu 0.625153 0.645056 0.25 191 63.546 9.51378e-05 -3.53973 63.546000 Cu 0.554756 0.623241 0.25 192 63.546 0.000489883 -3.5419 63.546000 Cu 0.554756 0.623241 0.75 193 63.546 0.000489883 -3.5419 63.546000 Cu 0.546151 0.651655 0.5 195 63.546 0.000161911 -3.54033 63.546000 Cu 0.625153 0.645056 0.75 204 63.546 9.51378e-05 -3.53973 63.546000 Cu 0.546151 0.651655 1 205 63.546 0.000161911 -3.54033 63.546000 Cu 0.783028 0.631603 0.25 148 63.546 0.00105064 -3.53865 63.546000 Cu 0.783028 0.631603 0.75 149 63.546 0.00105064 -3.53865 63.546000 Cu 0.704117 0.638374 0.5 150 63.546 0.000105285 -3.54027 63.546000 Cu 0.774469 0.66015 0.5 151 63.546 0.000502498 -3.53927 63.546000 Cu 0.704117 0.638374 1.72516e-16 154 63.546 0.000105285 -3.54027 63.546000 Cu 0.774469 0.66015 2.46755e-16 161 63.546 0.000502498 -3.53927 63.546000 Cu 0.940612 0.617674 0.25 95 63.546 4.84672e-05 -3.53871 63.546000 Cu 0.861905 0.624547 0.5 99 63.546 0.00103613 -3.54178 63.546000 Cu 0.932091 0.646351 0.5 106 63.546 0.000103317 -3.53913 63.546000 Cu 0.940612 0.617674 0.75 108 63.546 4.84672e-05 -3.53871 63.546000 Cu 0.861905 0.624547 1 109 63.546 0.00103613 -3.54178 63.546000 Cu 0.932091 0.646351 1 110 63.546 0.000103317 -3.53913 63.546000 Cu 0.853362 0.653228 0.25 147 63.546 0.000246658 -3.5411 63.546000 Cu 0.853362 0.653228 0.75 160 63.546 0.000246658 -3.5411 63.546000 Cu 0.002343 0.668214 0.5 107 63.546 5.2257e-05 -3.5399 63.546000 Cu 0.15135 0.68341 0.25 112 63.546 0.000180753 -3.53991 63.546000 Cu 0.15135 0.68341 0.75 113 63.546 0.000180753 -3.53991 63.546000 Cu 0.0725741 0.690115 0.5 114 63.546 6.0306e-05 -3.53936 63.546000 Cu 0.142755 0.712041 0.5 115 63.546 0.000109368 -3.53991 63.546000 Cu 0.002343 0.668214 4.56221e-16 117 63.546 5.2257e-05 -3.5399 63.546000 Cu 0.0725741 0.690115 1 118 63.546 6.0306e-05 -3.53936 63.546000 Cu 0.142755 0.712041 4.24708e-19 124 63.546 0.000109368 -3.53991 63.546000 Cu 0.0639851 0.718755 0.25 164 63.546 7.67312e-05 -3.53974 63.546000 Cu 0.0639851 0.718755 0.75 165 63.546 7.67312e-05 -3.53974 63.546000 Cu 0.308885 0.670658 0.25 69 63.546 0.000875279 -3.53688 63.546000 Cu 0.230092 0.676809 0.5 73 63.546 0.00271456 -3.54201 63.546000 Cu 0.300398 0.699075 0.5 77 63.546 0.000316115 -3.53866 63.546000 Cu 0.308885 0.670658 0.75 78 63.546 0.000875279 -3.53688 63.546000 Cu 0.230092 0.676809 3.24477e-17 79 63.546 0.00271456 -3.54201 63.546000 Cu 0.300398 0.699075 3.49195e-16 80 63.546 0.000316115 -3.53866 63.546000 Cu 0.221573 0.705414 0.25 111 63.546 0.00109632 -3.54105 63.546000 Cu 0.221573 0.705414 0.75 123 63.546 0.00109632 -3.54105 63.546000 Cu 0.458461 0.686506 0.5 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0.708402 4.8612e-16 258 63.546 6.90974e-05 -3.53971 63.546000 Cu 0.695595 0.666876 0.25 200 63.546 0.000143723 -3.53956 63.546000 Cu 0.695595 0.666876 0.75 201 63.546 0.000143723 -3.53956 63.546000 Cu 0.766036 0.688701 0.25 199 63.546 0.000418586 -3.53957 63.546000 Cu 0.687149 0.695356 0.5 203 63.546 0.000210497 -3.53969 63.546000 Cu 0.757504 0.717268 0.5 210 63.546 0.000534798 -3.53993 63.546000 Cu 0.766036 0.688701 0.75 212 63.546 0.000418586 -3.53957 63.546000 Cu 0.687149 0.695356 3.14539e-16 213 63.546 0.000210497 -3.53969 63.546000 Cu 0.757504 0.717268 5.19502e-16 214 63.546 0.000534798 -3.53993 63.546000 Cu 0.993842 0.696882 0.25 155 63.546 5.26387e-05 -3.5399 63.546000 Cu 0.993842 0.696882 0.75 168 63.546 5.26387e-05 -3.5399 63.546000 Cu 0.923619 0.675016 0.25 156 63.546 7.61119e-05 -3.53998 63.546000 Cu 0.923619 0.675016 0.75 157 63.546 7.61119e-05 -3.53998 63.546000 Cu 0.84484 0.68187 0.5 158 63.546 6.728e-05 -3.54056 63.546000 Cu 0.915093 0.703682 0.5 159 63.546 5.84098e-05 -3.54019 63.546000 Cu 0.84484 0.68187 3.46561e-16 162 63.546 6.728e-05 -3.54056 63.546000 Cu 0.915093 0.703682 1 169 63.546 5.84098e-05 -3.54019 63.546000 Cu 0.836311 0.710512 0.25 208 63.546 9.22753e-05 -3.54048 63.546000 Cu 0.836311 0.710512 0.75 209 63.546 9.22753e-05 -3.54048 63.546000 Cu 0.134183 0.740652 0.25 163 63.546 9.28364e-05 -3.53995 63.546000 Cu 0.0553548 0.747396 0.5 167 63.546 9.91381e-05 -3.54009 63.546000 Cu 0.125551 0.769249 0.5 174 63.546 0.000169897 -3.53983 63.546000 Cu 0.134183 0.740652 0.75 176 63.546 9.28364e-05 -3.53995 63.546000 Cu 0.0553548 0.747396 1 177 63.546 9.91381e-05 -3.54009 63.546000 Cu 0.125551 0.769249 1 178 63.546 0.000169897 -3.53983 63.546000 Cu 0.0467807 0.776038 0.25 215 63.546 0.000111496 -3.5392 63.546000 Cu 0.0467807 0.776038 0.75 228 63.546 0.000111496 -3.5392 63.546000 Cu 0.291891 0.727545 0.25 119 63.546 0.000202231 -3.5401 63.546000 Cu 0.291891 0.727545 0.75 120 63.546 0.000202231 -3.5401 63.546000 Cu 0.213014 0.733993 0.5 121 63.546 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