Number of particles = 904 A = 1 Angstrom (basic length-scale) H0(1,1) = 27.2821 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 77.2009 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.10037 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 0.0236197 0.00248311 0.75 493 63.546 4.78149 -3.45544 63.546000 Cu 0.0354377 0.0308781 2.92671e-16 497 63.546 0.0418435 -3.51084 63.546000 Cu 0.103376 0.00733364 2.80766e-16 501 63.546 4.19571 -3.54202 63.546000 Cu 0.0236197 0.00248311 0.25 502 63.546 4.78149 -3.45544 63.546000 Cu 0.0354377 0.0308781 0.5 503 63.546 0.0418435 -3.51084 63.546000 Cu 0.103376 0.00733364 0.5 504 63.546 4.19571 -3.54202 63.546000 Cu 0.113752 0.0370741 0.75 523 63.546 0.079247 -3.53712 63.546000 Cu 0.113752 0.0370741 0.25 535 63.546 0.079247 -3.53712 63.546000 Cu 0.185029 0.0167155 0.75 531 63.546 5.9153 -3.49876 63.546000 Cu 0.185029 0.0167155 0.25 532 63.546 5.9153 -3.49876 63.546000 Cu 0.192557 0.0451759 1.7397e-16 533 63.546 0.0238432 -3.52597 63.546000 Cu 0.262994 0.0235183 3.4981e-16 534 63.546 3.83162 -3.48442 63.546000 Cu 0.192557 0.0451759 0.5 537 63.546 0.0238432 -3.52597 63.546000 Cu 0.262994 0.0235183 0.5 539 63.546 3.83162 -3.48442 63.546000 Cu 0.330437 0.00224348 1.70058e-19 538 63.546 4.84523 -3.44965 63.546000 Cu 0.330437 0.00224348 0.5 540 63.546 4.84523 -3.44965 63.546000 Cu 0.342271 0.0303422 0.75 575 63.546 0.0551814 -3.50948 63.546000 Cu 0.410237 0.00676708 0.75 583 63.546 4.23216 -3.55339 63.546000 Cu 0.410237 0.00676708 0.25 584 63.546 4.23216 -3.55339 63.546000 Cu 0.420693 0.0363116 1.7363e-16 585 63.546 0.100161 -3.54105 63.546000 Cu 0.342271 0.0303422 0.25 587 63.546 0.0551814 -3.50948 63.546000 Cu 0.420693 0.0363116 0.5 589 63.546 0.100161 -3.54105 63.546000 Cu 0.492424 0.0162941 1 586 63.546 5.97337 -3.49205 63.546000 Cu 0.492424 0.0162941 0.5 590 63.546 5.97337 -3.49205 63.546000 Cu 0.570357 0.0228264 0.75 637 63.546 3.82452 -3.48341 63.546000 Cu 0.49979 0.0444125 0.75 638 63.546 0.0408509 -3.52318 63.546000 Cu 0.49979 0.0444125 0.25 639 63.546 0.0408509 -3.52318 63.546000 Cu 0.570357 0.0228264 0.25 645 63.546 3.82452 -3.48341 63.546000 Cu 0.637555 0.00179697 0.75 459 63.546 5.16714 -3.4388 63.546000 Cu 0.637555 0.00179697 0.25 460 63.546 5.16714 -3.4388 63.546000 Cu 0.650492 0.0289973 7.16626e-16 461 63.546 0.280189 -3.49305 63.546000 Cu 0.650492 0.0289973 0.5 463 63.546 0.280189 -3.49305 63.546000 Cu 0.71779 0.0029276 1.91826e-16 462 63.546 0.808439 -3.52713 63.546000 Cu 0.71779 0.0029276 0.5 464 63.546 0.808439 -3.52713 63.546000 Cu 0.797535 0.00795804 0.75 467 63.546 4.14552 -3.53791 63.546000 Cu 0.729361 0.0318958 0.75 468 63.546 0.146138 -3.5275 63.546000 Cu 0.729361 0.0318958 0.25 469 63.546 0.146138 -3.5275 63.546000 Cu 0.807451 0.0380126 1.7431e-16 471 63.546 0.0749605 -3.53048 63.546000 Cu 0.797535 0.00795804 0.25 476 63.546 4.14552 -3.53791 63.546000 Cu 0.807451 0.0380126 0.5 477 63.546 0.0749605 -3.53048 63.546000 Cu 0.878341 0.0172182 1 475 63.546 5.79432 -3.50351 63.546000 Cu 0.878341 0.0172182 0.5 478 63.546 5.79432 -3.50351 63.546000 Cu 0.886035 0.0459404 0.75 485 63.546 0.0166449 -3.52697 63.546000 Cu 0.956358 0.0241509 0.75 494 63.546 3.80633 -3.48428 63.546000 Cu 0.956358 0.0241509 0.25 495 63.546 3.80633 -3.48428 63.546000 Cu 0.886035 0.0459404 0.25 498 63.546 0.0166449 -3.52697 63.546000 Cu 0.0439286 0.0595711 0.75 524 63.546 0.00217242 -3.53714 63.546000 Cu 0.0439286 0.0595711 0.25 525 63.546 0.00217242 -3.53714 63.546000 Cu 0.0528453 0.0884367 5.02013e-16 526 63.546 0.000258199 -3.53865 63.546000 Cu 0.122452 0.0663492 2.36041e-16 527 63.546 0.0120359 -3.54209 63.546000 Cu 0.0528453 0.0884367 0.5 530 63.546 0.000258199 -3.53865 63.546000 Cu 0.122452 0.0663492 0.5 536 63.546 0.0120359 -3.54209 63.546000 Cu 0.13161 0.0953279 0.75 568 63.546 0.00223 -3.54085 63.546000 Cu 0.13161 0.0953279 0.25 569 63.546 0.00223 -3.54085 63.546000 Cu 0.201497 0.0737815 0.75 567 63.546 0.0046691 -3.53708 63.546000 Cu 0.271624 0.052014 0.75 576 63.546 0.000639441 -3.54026 63.546000 Cu 0.271624 0.052014 0.25 577 63.546 0.000639441 -3.54026 63.546000 Cu 0.280574 0.0806209 6.26155e-16 578 63.546 0.000290663 -3.54057 63.546000 Cu 0.201497 0.0737815 0.25 580 63.546 0.0046691 -3.53708 63.546000 Cu 0.280574 0.0806209 0.5 582 63.546 0.000290663 -3.54057 63.546000 Cu 0.350711 0.058769 4.28547e-16 579 63.546 0.00354624 -3.53631 63.546000 Cu 0.350711 0.058769 0.5 588 63.546 0.00354624 -3.53631 63.546000 Cu 0.359648 0.0873794 0.75 630 63.546 0.000325458 -3.5392 63.546000 Cu 0.359648 0.0873794 0.25 631 63.546 0.000325458 -3.5392 63.546000 Cu 0.429384 0.0653607 0.75 629 63.546 0.0154865 -3.54432 63.546000 Cu 0.438746 0.0940848 1 633 63.546 0.00205886 -3.54249 63.546000 Cu 0.429384 0.0653607 0.25 642 63.546 0.0154865 -3.54432 63.546000 Cu 0.438746 0.0940848 0.5 643 63.546 0.00205886 -3.54249 63.546000 Cu 0.50885 0.0726291 9.3192e-17 640 63.546 0.011525 -3.53625 63.546000 Cu 0.50885 0.0726291 0.5 644 63.546 0.011525 -3.53625 63.546000 Cu 0.57934 0.0508316 3.46239e-16 641 63.546 0.0045716 -3.53919 63.546000 Cu 0.57934 0.0508316 0.5 646 63.546 0.0045716 -3.53919 63.546000 Cu 0.658976 0.0566709 0.75 465 63.546 0.068309 -3.51965 63.546000 Cu 0.667967 0.0847541 5.20209e-16 466 63.546 0.0157084 -3.53116 63.546000 Cu 0.658976 0.0566709 0.25 472 63.546 0.068309 -3.51965 63.546000 Cu 0.667967 0.0847541 0.5 473 63.546 0.0157084 -3.53116 63.546000 Cu 0.588473 0.0789616 0.75 697 63.546 0.0043636 -3.53933 63.546000 Cu 0.588473 0.0789616 0.25 698 63.546 0.0043636 -3.53933 63.546000 Cu 0.737884 0.0609684 6.63228e-18 470 63.546 0.0623383 -3.54115 63.546000 Cu 0.737884 0.0609684 0.5 474 63.546 0.0623383 -3.54115 63.546000 Cu 0.746813 0.0899958 0.75 479 63.546 0.0237896 -3.54152 63.546000 Cu 0.81622 0.0674599 0.75 486 63.546 0.0158063 -3.53894 63.546000 Cu 0.81622 0.0674599 0.25 487 63.546 0.0158063 -3.53894 63.546000 Cu 0.82546 0.0965811 3.40117e-19 488 63.546 0.00407334 -3.53954 63.546000 Cu 0.746813 0.0899958 0.25 490 63.546 0.0237896 -3.54152 63.546000 Cu 0.82546 0.0965811 0.5 492 63.546 0.00407334 -3.53954 63.546000 Cu 0.895056 0.0747479 6.91628e-16 489 63.546 0.0024207 -3.53716 63.546000 Cu 0.964973 0.0528191 7.23939e-16 496 63.546 0.000849935 -3.53897 63.546000 Cu 0.895056 0.0747479 0.5 499 63.546 0.0024207 -3.53716 63.546000 Cu 0.964973 0.0528191 0.5 500 63.546 0.000849935 -3.53897 63.546000 Cu 0.974005 0.0816094 0.75 515 63.546 0.000154701 -3.53957 63.546000 Cu 0.974005 0.0816094 0.25 528 63.546 0.000154701 -3.53957 63.546000 Cu 0.0620895 0.117315 0.75 559 63.546 3.24392e-05 -3.53945 63.546000 Cu 0.0714245 0.14616 1 563 63.546 8.34912e-05 -3.5393 63.546000 Cu 0.140982 0.124209 5.19188e-16 570 63.546 0.00036709 -3.54033 63.546000 Cu 0.0620895 0.117315 0.25 572 63.546 3.24392e-05 -3.53945 63.546000 Cu 0.0714245 0.14616 0.5 573 63.546 8.34912e-05 -3.5393 63.546000 Cu 0.140982 0.124209 0.5 574 63.546 0.00036709 -3.54033 63.546000 Cu 0.210686 0.102452 2.35361e-16 571 63.546 0.00109232 -3.53869 63.546000 Cu 0.210686 0.102452 0.5 581 63.546 0.00109232 -3.53869 63.546000 Cu 0.220017 0.131161 0.75 622 63.546 0.000308033 -3.53929 63.546000 Cu 0.220017 0.131161 0.25 623 63.546 0.000308033 -3.53929 63.546000 Cu 0.289806 0.10929 0.75 621 63.546 0.000174529 -3.54042 63.546000 Cu 0.289806 0.10929 0.25 634 63.546 0.000174529 -3.54042 63.546000 Cu 0.299101 0.137961 4.0814e-16 625 63.546 0.000275126 -3.54006 63.546000 Cu 0.368957 0.116013 7.16966e-16 632 63.546 5.302e-05 -3.54009 63.546000 Cu 0.299101 0.137961 0.5 635 63.546 0.000275126 -3.54006 63.546000 Cu 0.368957 0.116013 0.5 636 63.546 5.302e-05 -3.54009 63.546000 Cu 0.378262 0.144623 0.75 681 63.546 8.90534e-05 -3.54011 63.546000 Cu 0.378262 0.144623 0.25 694 63.546 8.90534e-05 -3.54011 63.546000 Cu 0.518231 0.100932 0.75 689 63.546 0.00422096 -3.53816 63.546000 Cu 0.448184 0.122684 0.75 690 63.546 0.000384174 -3.54115 63.546000 Cu 0.448184 0.122684 0.25 691 63.546 0.000384174 -3.54115 63.546000 Cu 0.5276 0.129297 3.33825e-16 693 63.546 0.00178046 -3.53904 63.546000 Cu 0.518231 0.100932 0.25 700 63.546 0.00422096 -3.53816 63.546000 Cu 0.5276 0.129297 0.5 701 63.546 0.00178046 -3.53904 63.546000 Cu 0.677101 0.1131 0.75 480 63.546 0.00336209 -3.53651 63.546000 Cu 0.677101 0.1131 0.25 481 63.546 0.00336209 -3.53651 63.546000 Cu 0.686238 0.141607 3.72428e-16 482 63.546 0.00110486 -3.53879 63.546000 Cu 0.686238 0.141607 0.5 484 63.546 0.00110486 -3.53879 63.546000 Cu 0.597758 0.107209 1.04076e-16 699 63.546 0.00274065 -3.53886 63.546000 Cu 0.597758 0.107209 0.5 702 63.546 0.00274065 -3.53886 63.546000 Cu 0.607011 0.135546 0.75 749 63.546 0.00108288 -3.53895 63.546000 Cu 0.607011 0.135546 0.25 757 63.546 0.00108288 -3.53895 63.546000 Cu 0.75599 0.11892 3.47429e-16 483 63.546 0.00873528 -3.54127 63.546000 Cu 0.75599 0.11892 0.5 491 63.546 0.00873528 -3.54127 63.546000 Cu 0.834758 0.125553 0.75 507 63.546 0.00132077 -3.53965 63.546000 Cu 0.765142 0.147777 0.75 508 63.546 0.00309857 -3.54078 63.546000 Cu 0.765142 0.147777 0.25 509 63.546 0.00309857 -3.54078 63.546000 Cu 0.834758 0.125553 0.25 520 63.546 0.00132077 -3.53965 63.546000 Cu 0.904313 0.103596 0.75 516 63.546 0.0003686 -3.53816 63.546000 Cu 0.904313 0.103596 0.25 517 63.546 0.0003686 -3.53816 63.546000 Cu 0.913649 0.132438 4.30928e-16 518 63.546 3.88449e-05 -3.53885 63.546000 Cu 0.983209 0.110443 5.10175e-19 519 63.546 4.51978e-05 -3.53932 63.546000 Cu 0.913649 0.132438 0.5 522 63.546 3.88449e-05 -3.53885 63.546000 Cu 0.983209 0.110443 0.5 529 63.546 4.51978e-05 -3.53932 63.546000 Cu 0.992555 0.139291 0.75 560 63.546 4.95372e-05 -3.53955 63.546000 Cu 0.992555 0.139291 0.25 561 63.546 4.95372e-05 -3.53955 63.546000 Cu 0.0805499 0.174985 0.75 614 63.546 3.14262e-05 -3.53942 63.546000 Cu 0.0805499 0.174985 0.25 615 63.546 3.14262e-05 -3.53942 63.546000 Cu 0.0017547 0.168132 3.47259e-16 562 63.546 5.05668e-05 -3.53945 63.546000 Cu 0.0017547 0.168132 0.5 566 63.546 5.05668e-05 -3.53945 63.546000 Cu 0.0108249 0.196972 0.75 605 63.546 8.14765e-05 -3.53969 63.546000 Cu 0.0108249 0.196972 0.25 618 63.546 8.14765e-05 -3.53969 63.546000 Cu 0.150267 0.153029 0.75 613 63.546 0.000107732 -3.53976 63.546000 Cu 0.150267 0.153029 0.25 626 63.546 0.000107732 -3.53976 63.546000 Cu 0.159448 0.181818 4.60858e-16 617 63.546 8.51302e-05 -3.53988 63.546000 Cu 0.229222 0.159864 1 624 63.546 0.000174762 -3.53966 63.546000 Cu 0.159448 0.181818 0.5 627 63.546 8.51302e-05 -3.53988 63.546000 Cu 0.229222 0.159864 0.5 628 63.546 0.000174762 -3.53966 63.546000 Cu 0.238424 0.188576 0.75 673 63.546 0.000174082 -3.54012 63.546000 Cu 0.238424 0.188576 0.25 686 63.546 0.000174082 -3.54012 63.546000 Cu 0.30831 0.166597 0.75 682 63.546 0.000216496 -3.54003 63.546000 Cu 0.30831 0.166597 0.25 683 63.546 0.000216496 -3.54003 63.546000 Cu 0.317489 0.195224 3.93175e-16 684 63.546 0.000212779 -3.54006 63.546000 Cu 0.387465 0.1732 1.7431e-16 685 63.546 0.00011028 -3.54012 63.546000 Cu 0.317489 0.195224 0.5 688 63.546 0.000212779 -3.54006 63.546000 Cu 0.387465 0.1732 0.5 695 63.546 0.00011028 -3.54012 63.546000 Cu 0.457488 0.151222 5.833e-17 692 63.546 0.00023196 -3.54039 63.546000 Cu 0.457488 0.151222 0.5 696 63.546 0.00023196 -3.54039 63.546000 Cu 0.466706 0.179722 0.75 741 63.546 0.000150617 -3.54003 63.546000 Cu 0.536835 0.157705 0.75 750 63.546 0.000712311 -3.53936 63.546000 Cu 0.536835 0.157705 0.25 751 63.546 0.000712311 -3.53936 63.546000 Cu 0.546012 0.186139 3.01514e-16 752 63.546 0.000230396 -3.53953 63.546000 Cu 0.466706 0.179722 0.25 754 63.546 0.000150617 -3.54003 63.546000 Cu 0.546012 0.186139 0.5 756 63.546 0.000230396 -3.53953 63.546000 Cu 0.695272 0.17019 0.75 505 63.546 0.000531994 -3.53961 63.546000 Cu 0.704324 0.198811 3.47429e-16 506 63.546 0.000306742 -3.54009 63.546000 Cu 0.695272 0.17019 0.25 512 63.546 0.000531994 -3.53961 63.546000 Cu 0.704324 0.198811 0.5 513 63.546 0.000306742 -3.54009 63.546000 Cu 0.616142 0.163968 1.03055e-16 753 63.546 0.00033123 -3.53924 63.546000 Cu 0.616142 0.163968 0.5 758 63.546 0.00033123 -3.53924 63.546000 Cu 0.625223 0.192451 0.75 809 63.546 0.000148047 -3.53974 63.546000 Cu 0.625223 0.192451 0.25 810 63.546 0.000148047 -3.53974 63.546000 Cu 0.774207 0.17657 1 510 63.546 0.00111284 -3.5404 63.546000 Cu 0.843986 0.15443 4.75483e-16 511 63.546 0.000555903 -3.53966 63.546000 Cu 0.774207 0.17657 0.5 514 63.546 0.00111284 -3.5404 63.546000 Cu 0.843986 0.15443 0.5 521 63.546 0.000555903 -3.53966 63.546000 Cu 0.853119 0.183241 0.75 552 63.546 0.00039184 -3.53973 63.546000 Cu 0.853119 0.183241 0.25 553 63.546 0.00039184 -3.53973 63.546000 Cu 0.922901 0.161252 0.75 551 63.546 0.000109403 -3.53924 63.546000 Cu 0.931978 0.190082 2.54918e-16 555 63.546 3.00934e-05 -3.53955 63.546000 Cu 0.922901 0.161252 0.25 564 63.546 0.000109403 -3.53924 63.546000 Cu 0.931978 0.190082 0.5 565 63.546 3.00934e-05 -3.53955 63.546000 Cu 0.0199468 0.225789 1.08837e-16 609 63.546 7.90741e-05 -3.53961 63.546000 Cu 0.0897147 0.203794 1.4608e-16 616 63.546 1.90013e-05 -3.53981 63.546000 Cu 0.0199468 0.225789 0.5 619 63.546 7.90741e-05 -3.53961 63.546000 Cu 0.0897147 0.203794 0.5 620 63.546 1.90013e-05 -3.53981 63.546000 Cu 0.098827 0.2326 0.75 665 63.546 4.06552e-05 -3.53977 63.546000 Cu 0.098827 0.2326 0.25 678 63.546 4.06552e-05 -3.53977 63.546000 Cu 0.168641 0.210587 0.75 674 63.546 0.000111065 -3.53985 63.546000 Cu 0.168641 0.210587 0.25 675 63.546 0.000111065 -3.53985 63.546000 Cu 0.177725 0.239356 1 676 63.546 0.000168326 -3.53994 63.546000 Cu 0.247601 0.217294 6.49453e-16 677 63.546 0.000328866 -3.54016 63.546000 Cu 0.177725 0.239356 0.5 680 63.546 0.000168326 -3.53994 63.546000 Cu 0.247601 0.217294 0.5 687 63.546 0.000328866 -3.54016 63.546000 Cu 0.256696 0.245996 0.75 734 63.546 0.000416879 -3.54019 63.546000 Cu 0.256696 0.245996 0.25 735 63.546 0.000416879 -3.54019 63.546000 Cu 0.32665 0.22384 0.75 733 63.546 0.000170413 -3.54004 63.546000 Cu 0.39666 0.201749 0.75 742 63.546 0.000102539 -3.54018 63.546000 Cu 0.39666 0.201749 0.25 743 63.546 0.000102539 -3.54018 63.546000 Cu 0.405777 0.230289 4.03549e-16 744 63.546 0.000103176 -3.54003 63.546000 Cu 0.32665 0.22384 0.25 746 63.546 0.000170413 -3.54004 63.546000 Cu 0.405777 0.230289 0.5 748 63.546 0.000103176 -3.54003 63.546000 Cu 0.475909 0.208206 2.05601e-16 745 63.546 5.19723e-05 -3.53988 63.546000 Cu 0.475909 0.208206 0.5 755 63.546 5.19723e-05 -3.53988 63.546000 Cu 0.555149 0.214614 0.75 801 63.546 7.25228e-05 -3.53966 63.546000 Cu 0.48499 0.236686 0.75 802 63.546 2.97409e-05 -3.53966 63.546000 Cu 0.48499 0.236686 0.25 803 63.546 2.97409e-05 -3.53966 63.546000 Cu 0.564228 0.243091 4.21235e-16 805 63.546 4.78539e-05 -3.53965 63.546000 Cu 0.555149 0.214614 0.25 812 63.546 7.25228e-05 -3.53966 63.546000 Cu 0.564228 0.243091 0.5 813 63.546 4.78539e-05 -3.53965 63.546000 Cu 0.713403 0.227456 0.75 544 63.546 0.000258709 -3.54007 63.546000 Cu 0.713403 0.227456 0.25 545 63.546 0.000258709 -3.54007 63.546000 Cu 0.634334 0.220995 5.10175e-19 811 63.546 0.000153145 -3.53991 63.546000 Cu 0.634334 0.220995 0.5 814 63.546 0.000153145 -3.53991 63.546000 Cu 0.643432 0.249543 0.75 541 63.546 0.000247028 -3.53988 63.546000 Cu 0.643432 0.249543 0.25 548 63.546 0.000247028 -3.53988 63.546000 Cu 0.783298 0.205315 0.75 543 63.546 0.000661325 -3.54017 63.546000 Cu 0.792375 0.234054 8.33286e-17 547 63.546 0.000490586 -3.53999 63.546000 Cu 0.783298 0.205315 0.25 556 63.546 0.000661325 -3.54017 63.546000 Cu 0.792375 0.234054 0.5 557 63.546 0.000490586 -3.53999 63.546000 Cu 0.862206 0.212048 1.70909e-16 554 63.546 0.000228725 -3.53979 63.546000 Cu 0.862206 0.212048 0.5 558 63.546 0.000228725 -3.53979 63.546000 Cu 0.871262 0.240847 0.75 597 63.546 0.00010314 -3.53973 63.546000 Cu 0.941053 0.218913 0.75 606 63.546 1.65958e-05 -3.53961 63.546000 Cu 0.941053 0.218913 0.25 607 63.546 1.65958e-05 -3.53961 63.546000 Cu 0.950177 0.247718 5.99966e-16 608 63.546 1.60699e-05 -3.53949 63.546000 Cu 0.871262 0.240847 0.25 610 63.546 0.00010314 -3.53973 63.546000 Cu 0.950177 0.247718 0.5 612 63.546 1.60699e-05 -3.53949 63.546000 Cu 0.0290489 0.254605 0.75 666 63.546 0.000144543 -3.53964 63.546000 Cu 0.0290489 0.254605 0.25 667 63.546 0.000144543 -3.53964 63.546000 Cu 0.0382469 0.283451 8.26484e-17 668 63.546 0.000392049 -3.53978 63.546000 Cu 0.107908 0.261415 3.98277e-16 669 63.546 0.000165859 -3.53973 63.546000 Cu 0.0382469 0.283451 0.5 672 63.546 0.000392049 -3.53978 63.546000 Cu 0.107908 0.261415 0.5 679 63.546 0.000165859 -3.53973 63.546000 Cu 0.117083 0.29023 0.75 726 63.546 0.000121638 -3.53913 63.546000 Cu 0.117083 0.29023 0.25 727 63.546 0.000121638 -3.53913 63.546000 Cu 0.186812 0.268122 0.75 725 63.546 0.000239162 -3.53991 63.546000 Cu 0.19587 0.29692 4.68851e-16 729 63.546 0.000514343 -3.53987 63.546000 Cu 0.265699 0.274698 1.60705e-16 736 63.546 0.00070862 -3.54018 63.546000 Cu 0.186812 0.268122 0.25 738 63.546 0.000239162 -3.53991 63.546000 Cu 0.19587 0.29692 0.5 739 63.546 0.000514343 -3.53987 63.546000 Cu 0.265699 0.274698 0.5 740 63.546 0.00070862 -3.54018 63.546000 Cu 0.335697 0.252455 1.40298e-16 737 63.546 0.000199677 -3.53975 63.546000 Cu 0.335697 0.252455 0.5 747 63.546 0.000199677 -3.53975 63.546000 Cu 0.414796 0.258811 0.75 793 63.546 9.21589e-05 -3.53999 63.546000 Cu 0.344671 0.281037 0.75 794 63.546 0.000273123 -3.53943 63.546000 Cu 0.344671 0.281037 0.25 795 63.546 0.000273123 -3.53943 63.546000 Cu 0.423824 0.287322 3.47429e-16 797 63.546 8.49083e-05 -3.5402 63.546000 Cu 0.414796 0.258811 0.25 806 63.546 9.21589e-05 -3.53999 63.546000 Cu 0.423824 0.287322 0.5 807 63.546 8.49083e-05 -3.5402 63.546000 Cu 0.494014 0.265145 5.10175e-19 804 63.546 0.00018286 -3.53958 63.546000 Cu 0.494014 0.265145 0.5 808 63.546 0.00018286 -3.53958 63.546000 Cu 0.503072 0.293585 0.75 843 63.546 0.000644967 -3.53918 63.546000 Cu 0.503072 0.293585 0.25 854 63.546 0.000644967 -3.53918 63.546000 Cu 0.573301 0.271561 0.75 851 63.546 0.000205527 -3.53981 63.546000 Cu 0.573301 0.271561 0.25 852 63.546 0.000205527 -3.53981 63.546000 Cu 0.652533 0.278103 8.50292e-19 542 63.546 0.000312339 -3.54003 63.546000 Cu 0.652533 0.278103 0.5 549 63.546 0.000312339 -3.54003 63.546000 Cu 0.722504 0.256115 2.14614e-16 546 63.546 0.000208319 -3.54021 63.546000 Cu 0.722504 0.256115 0.5 550 63.546 0.000208319 -3.54021 63.546000 Cu 0.731677 0.284792 0.75 591 63.546 0.000170298 -3.54049 63.546000 Cu 0.801484 0.262797 0.75 598 63.546 0.00027748 -3.53996 63.546000 Cu 0.801484 0.262797 0.25 599 63.546 0.00027748 -3.53996 63.546000 Cu 0.810703 0.291536 1.55093e-16 600 63.546 0.000190419 -3.53972 63.546000 Cu 0.731677 0.284792 0.25 602 63.546 0.000170298 -3.54049 63.546000 Cu 0.810703 0.291536 0.5 604 63.546 0.000190419 -3.53972 63.546000 Cu 0.880438 0.269623 5.10175e-19 601 63.546 7.57324e-05 -3.53964 63.546000 Cu 0.880438 0.269623 0.5 611 63.546 7.57324e-05 -3.53964 63.546000 Cu 0.959367 0.276524 0.75 657 63.546 3.60188e-05 -3.53944 63.546000 Cu 0.889686 0.298399 0.75 658 63.546 9.72304e-05 -3.53967 63.546000 Cu 0.889686 0.298399 0.25 659 63.546 9.72304e-05 -3.53967 63.546000 Cu 0.959367 0.276524 0.25 670 63.546 3.60188e-05 -3.53944 63.546000 Cu 0.047476 0.312325 0.75 717 63.546 0.00102322 -3.53988 63.546000 Cu 0.0567055 0.341277 2.66822e-16 721 63.546 0.00365356 -3.54057 63.546000 Cu 0.126229 0.319071 1.82983e-16 728 63.546 6.38462e-05 -3.53843 63.546000 Cu 0.047476 0.312325 0.25 730 63.546 0.00102322 -3.53988 63.546000 Cu 0.0567055 0.341277 0.5 731 63.546 0.00365356 -3.54057 63.546000 Cu 0.126229 0.319071 0.5 732 63.546 6.38462e-05 -3.53843 63.546000 Cu 0.13535 0.347911 0.75 777 63.546 0.000849915 -3.53653 63.546000 Cu 0.13535 0.347911 0.25 790 63.546 0.000849915 -3.53653 63.546000 Cu 0.27471 0.303421 0.75 785 63.546 0.0014905 -3.54041 63.546000 Cu 0.204994 0.325764 0.75 786 63.546 0.00139591 -3.54015 63.546000 Cu 0.204994 0.325764 0.25 787 63.546 0.00139591 -3.54015 63.546000 Cu 0.283787 0.332148 1.7431e-16 789 63.546 0.00305604 -3.54049 63.546000 Cu 0.27471 0.303421 0.25 798 63.546 0.0014905 -3.54041 63.546000 Cu 0.283787 0.332148 0.5 799 63.546 0.00305604 -3.54049 63.546000 Cu 0.353682 0.30958 5.20549e-16 796 63.546 0.00083962 -3.53849 63.546000 Cu 0.353682 0.30958 0.5 800 63.546 0.00083962 -3.53849 63.546000 Cu 0.362757 0.338038 0.75 835 63.546 0.00385022 -3.53637 63.546000 Cu 0.362757 0.338038 0.25 848 63.546 0.00385022 -3.53637 63.546000 Cu 0.432902 0.315791 0.75 844 63.546 3.45378e-05 -3.54074 63.546000 Cu 0.432902 0.315791 0.25 845 63.546 3.45378e-05 -3.54074 63.546000 Cu 0.44206 0.344244 4.6579e-16 846 63.546 0.000446618 -3.54255 63.546000 Cu 0.44206 0.344244 0.5 850 63.546 0.000446618 -3.54255 63.546000 Cu 0.512197 0.321985 4.72933e-16 847 63.546 0.0019583 -3.53824 63.546000 Cu 0.512197 0.321985 0.5 855 63.546 0.0019583 -3.53824 63.546000 Cu 0.582393 0.300033 2.93521e-16 853 63.546 0.000448797 -3.54001 63.546000 Cu 0.582393 0.300033 0.5 856 63.546 0.000448797 -3.54001 63.546000 Cu 0.661685 0.306667 0.75 592 63.546 0.00044038 -3.53985 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5.20549e-16 661 63.546 6.54135e-05 -3.53913 63.546000 Cu 0.898929 0.327186 0.5 664 63.546 0.000177688 -3.5399 63.546000 Cu 0.968637 0.305346 0.5 671 63.546 6.54135e-05 -3.53913 63.546000 Cu 0.977879 0.334195 0.75 718 63.546 0.000140122 -3.53853 63.546000 Cu 0.977879 0.334195 0.25 719 63.546 0.000140122 -3.53853 63.546000 Cu 0.065926 0.370366 0.75 778 63.546 0.016902 -3.54178 63.546000 Cu 0.065926 0.370366 0.25 779 63.546 0.016902 -3.54178 63.546000 Cu 0.074961 0.399703 3.71578e-16 780 63.546 0.0885243 -3.5447 63.546000 Cu 0.074961 0.399703 0.5 784 63.546 0.0885243 -3.5447 63.546000 Cu 0.144426 0.376684 3.16309e-16 781 63.546 0.0121451 -3.53112 63.546000 Cu 0.144426 0.376684 0.5 791 63.546 0.0121451 -3.53112 63.546000 Cu 0.214171 0.354657 4.86027e-16 788 63.546 0.00464335 -3.54108 63.546000 Cu 0.214171 0.354657 0.5 792 63.546 0.00464335 -3.54108 63.546000 Cu 0.223456 0.383654 0.75 827 63.546 0.0217458 -3.54324 63.546000 Cu 0.223456 0.383654 0.25 840 63.546 0.0217458 -3.54324 63.546000 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0.392487 7.31251e-18 648 63.546 0.0107348 -3.53268 63.546000 Cu 0.680227 0.363865 0.25 654 63.546 0.00189115 -3.53769 63.546000 Cu 0.689413 0.392487 0.5 655 63.546 0.0107348 -3.53268 63.546000 Cu 0.60097 0.357 2.84168e-16 881 63.546 0.00108475 -3.54197 63.546000 Cu 0.60097 0.357 0.5 886 63.546 0.00108475 -3.54197 63.546000 Cu 0.610413 0.385562 0.75 901 63.546 0.00694932 -3.54557 63.546000 Cu 0.610413 0.385562 0.25 902 63.546 0.00694932 -3.54557 63.546000 Cu 0.759335 0.371119 1.56284e-16 652 63.546 0.0134956 -3.54429 63.546000 Cu 0.759335 0.371119 0.5 656 63.546 0.0134956 -3.54429 63.546000 Cu 0.838087 0.377525 0.75 710 63.546 0.0197501 -3.53135 63.546000 Cu 0.838087 0.377525 0.25 711 63.546 0.0197501 -3.53135 63.546000 Cu 0.908189 0.355985 0.75 709 63.546 0.000649532 -3.54103 63.546000 Cu 0.917414 0.384839 2.72944e-16 713 63.546 0.00577531 -3.54397 63.546000 Cu 0.987117 0.363073 3.47599e-16 720 63.546 0.000565452 -3.53699 63.546000 Cu 0.908189 0.355985 0.25 722 63.546 0.000649532 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0.163007 0.460332 0.75 857 63.546 6.68152 -3.39204 63.546000 Cu 0.1456 0.487056 1.70058e-19 860 63.546 8.90568 -3.41198 63.546000 Cu 0.230165 0.475489 2.83828e-16 864 63.546 6.03555 -3.48187 63.546000 Cu 0.163007 0.460332 0.25 866 63.546 6.68152 -3.39204 63.546000 Cu 0.1456 0.487056 0.5 867 63.546 8.90568 -3.41198 63.546000 Cu 0.230165 0.475489 0.5 868 63.546 6.03555 -3.48187 63.546000 Cu 0.308324 0.474778 0.75 889 63.546 0.698548 -3.49036 63.546000 Cu 0.308324 0.474778 0.25 890 63.546 0.698548 -3.49036 63.546000 Cu 0.387821 0.475955 3.1937e-16 891 63.546 5.87552 -3.42982 63.546000 Cu 0.387821 0.475955 0.5 899 63.546 5.87552 -3.42982 63.546000 Cu 0.532572 0.486645 0.5 20 63.546 8.99845 -3.39149 63.546000 Cu 0.454458 0.491542 0.25 27 63.546 6.62235 -3.53443 63.546000 Cu 0.532572 0.486645 1 83 63.546 8.99845 -3.39149 63.546000 Cu 0.548745 0.460514 0.25 393 63.546 6.23411 -3.37944 63.546000 Cu 0.548745 0.460514 0.75 396 63.546 6.23411 -3.37944 63.546000 Cu 0.454458 0.491542 0.75 446 63.546 6.62235 -3.53443 63.546000 Cu 0.470253 0.460898 2.26178e-17 896 63.546 5.04416 -3.57029 63.546000 Cu 0.470253 0.460898 0.5 900 63.546 5.04416 -3.57029 63.546000 Cu 0.618092 0.47465 0.5 5 63.546 5.46944 -3.53845 63.546000 Cu 0.618092 0.47465 1.66487e-16 82 63.546 5.46944 -3.53845 63.546000 Cu 0.696915 0.476247 0.75 759 63.546 6.68448 -3.40928 63.546000 Cu 0.696915 0.476247 0.25 767 63.546 6.68448 -3.40928 63.546000 Cu 0.777411 0.460521 0.75 763 63.546 5.06039 -3.55906 63.546000 Cu 0.777411 0.460521 0.25 764 63.546 5.06039 -3.55906 63.546000 Cu 0.762261 0.492179 5.16468e-16 765 63.546 6.52675 -3.51548 63.546000 Cu 0.855938 0.46047 1.19041e-18 766 63.546 6.26676 -3.38326 63.546000 Cu 0.762261 0.492179 0.5 768 63.546 6.52675 -3.51548 63.546000 Cu 0.855938 0.46047 0.5 775 63.546 6.26676 -3.38326 63.546000 Cu 0.840096 0.486878 0.75 816 63.546 9.06853 -3.40115 63.546000 Cu 0.840096 0.486878 0.25 817 63.546 9.06853 -3.40115 63.546000 Cu 0.92546 0.474617 0.75 815 63.546 5.56901 -3.52559 63.546000 Cu 0.92546 0.474617 0.25 824 63.546 5.56901 -3.52559 63.546000 Cu 0.120741 0.517313 0.5 6 63.546 5.76614 -3.50388 63.546000 Cu 0.120741 0.517313 3.55592e-16 13 63.546 5.76614 -3.50388 63.546000 Cu 0.11308 0.54604 0.25 21 63.546 0.0172499 -3.52693 63.546000 Cu 0.0427971 0.524326 0.25 22 63.546 3.78702 -3.4836 63.546000 Cu 0.0427971 0.524326 0.75 23 63.546 3.78702 -3.4836 63.546000 Cu 0.11308 0.54604 0.75 34 63.546 0.0172499 -3.52693 63.546000 Cu 0.201605 0.50793 0.75 887 63.546 4.13542 -3.54858 63.546000 Cu 0.201605 0.50793 0.25 892 63.546 4.13542 -3.54858 63.546000 Cu 0.269728 0.532013 0.25 8 63.546 0.125198 -3.52713 63.546000 Cu 0.269728 0.532013 0.75 9 63.546 0.125198 -3.52713 63.546000 Cu 0.191662 0.538048 0.5 10 63.546 0.085854 -3.52994 63.546000 Cu 0.191662 0.538048 1.63766e-16 14 63.546 0.085854 -3.52994 63.546000 Cu 0.281704 0.50314 0.5 1 63.546 0.64681 -3.52958 63.546000 Cu 0.281704 0.50314 5.10175e-19 3 63.546 0.64681 -3.52958 63.546000 Cu 0.348657 0.528888 0.5 2 63.546 0.245162 -3.49802 63.546000 Cu 0.348657 0.528888 2.99983e-16 4 63.546 0.245162 -3.49802 63.546000 Cu 0.361878 0.501602 0.25 130 63.546 4.94365 -3.44377 63.546000 Cu 0.361878 0.501602 0.75 131 63.546 4.94365 -3.44377 63.546000 Cu 0.506582 0.516131 0.5 84 63.546 5.95053 -3.49201 63.546000 Cu 0.506582 0.516131 2.26008e-16 86 63.546 5.95053 -3.49201 63.546000 Cu 0.428716 0.522736 0.25 129 63.546 3.80165 -3.48188 63.546000 Cu 0.499178 0.544297 0.25 133 63.546 0.0385127 -3.52359 63.546000 Cu 0.499178 0.544297 0.75 134 63.546 0.0385127 -3.52359 63.546000 Cu 0.428716 0.522736 0.75 137 63.546 3.80165 -3.48188 63.546000 Cu 0.668884 0.502216 0.5 45 63.546 4.75266 -3.45225 63.546000 Cu 0.668884 0.502216 1.90125e-16 51 63.546 4.75266 -3.45225 63.546000 Cu 0.656692 0.53029 0.25 81 63.546 0.0604514 -3.50964 63.546000 Cu 0.57825 0.536176 0.5 85 63.546 0.107642 -3.54052 63.546000 Cu 0.656692 0.53029 0.75 92 63.546 0.0604514 -3.50964 63.546000 Cu 0.57825 0.536176 1.03396e-16 93 63.546 0.107642 -3.54052 63.546000 Cu 0.588879 0.506608 0.75 760 63.546 4.22653 -3.55836 63.546000 Cu 0.588879 0.506608 0.25 761 63.546 4.22653 -3.55836 63.546000 Cu 0.814023 0.516698 0.25 47 63.546 5.89867 -3.49923 63.546000 Cu 0.814023 0.516698 0.75 48 63.546 5.89867 -3.49923 63.546000 Cu 0.736067 0.523587 0.5 49 63.546 3.82508 -3.48373 63.546000 Cu 0.806531 0.545176 0.5 50 63.546 0.0231351 -3.52599 63.546000 Cu 0.736067 0.523587 2.47945e-16 52 63.546 3.82508 -3.48373 63.546000 Cu 0.806531 0.545176 3.40117e-19 59 63.546 0.0231351 -3.52599 63.546000 Cu 0.895776 0.507269 3.40117e-19 818 63.546 4.19824 -3.54737 63.546000 Cu 0.895776 0.507269 0.5 825 63.546 4.19824 -3.54737 63.546000 Cu 0.975758 0.502581 0.25 19 63.546 4.68646 -3.45843 63.546000 Cu 0.963625 0.530955 0.5 24 63.546 0.0475126 -3.511 63.546000 Cu 0.975758 0.502581 0.75 26 63.546 4.68646 -3.45843 63.546000 Cu 0.963625 0.530955 5.10175e-19 28 63.546 0.0475126 -3.511 63.546000 Cu 0.885328 0.537058 0.25 46 63.546 0.0872344 -3.53659 63.546000 Cu 0.885328 0.537058 0.75 58 63.546 0.0872344 -3.53659 63.546000 Cu 0.0340823 0.552942 0.5 25 63.546 0.000950223 -3.53881 63.546000 Cu 0.104167 0.574833 0.5 32 63.546 0.00249848 -3.53711 63.546000 Cu 0.0340823 0.552942 1.66657e-16 35 63.546 0.000950223 -3.53881 63.546000 Cu 0.104167 0.574833 0 36 63.546 0.00249848 -3.53711 63.546000 Cu 0.0252339 0.581694 0.25 53 63.546 0.000210487 -3.53957 63.546000 Cu 0.0252339 0.581694 0.75 66 63.546 0.000210487 -3.53957 63.546000 Cu 0.261187 0.561071 0.5 11 63.546 0.0527316 -3.5398 63.546000 Cu 0.261187 0.561071 6.22414e-17 17 63.546 0.0527316 -3.5398 63.546000 Cu 0.252518 0.590095 0.25 29 63.546 0.0200042 -3.54098 63.546000 Cu 0.182941 0.567527 0.25 30 63.546 0.0176279 -3.53883 63.546000 Cu 0.182941 0.567527 0.75 31 63.546 0.0176279 -3.53883 63.546000 Cu 0.173965 0.596653 0.5 33 63.546 0.00458258 -3.53964 63.546000 Cu 0.252518 0.590095 0.75 41 63.546 0.0200042 -3.54098 63.546000 Cu 0.173965 0.596653 1.07817e-16 42 63.546 0.00458258 -3.53964 63.546000 Cu 0.339994 0.556647 0.25 7 63.546 0.0601798 -3.52193 63.546000 Cu 0.33125 0.584775 0.5 15 63.546 0.0142581 -3.53143 63.546000 Cu 0.339994 0.556647 0.75 16 63.546 0.0601798 -3.52193 63.546000 Cu 0.33125 0.584775 0 18 63.546 0.0142581 -3.53143 63.546000 Cu 0.410611 0.57894 0.25 188 63.546 0.00474513 -3.53911 63.546000 Cu 0.410611 0.57894 0.75 189 63.546 0.00474513 -3.53911 63.546000 Cu 0.419593 0.55078 0.5 135 63.546 0.00490866 -3.53958 63.546000 Cu 0.419593 0.55078 1.90806e-16 138 63.546 0.00490866 -3.53958 63.546000 Cu 0.490152 0.572544 0.5 136 63.546 0.0100942 -3.53658 63.546000 Cu 0.490152 0.572544 1.21422e-16 145 63.546 0.0100942 -3.53658 63.546000 Cu 0.569589 0.565261 0.25 132 63.546 0.0163435 -3.54462 63.546000 Cu 0.56048 0.593999 0.5 142 63.546 0.00226114 -3.54247 63.546000 Cu 0.569589 0.565261 0.75 144 63.546 0.0163435 -3.54462 63.546000 Cu 0.56048 0.593999 3.27022e-16 146 63.546 0.00226114 -3.54247 63.546000 Cu 0.648273 0.558711 0.5 90 63.546 0.00347602 -3.53648 63.546000 Cu 0.648273 0.558711 1 94 63.546 0.00347602 -3.53648 63.546000 Cu 0.639496 0.587321 0.25 140 63.546 0.000192832 -3.53912 63.546000 Cu 0.639496 0.587321 0.75 141 63.546 0.000192832 -3.53912 63.546000 Cu 0.797649 0.573788 0.25 87 63.546 0.00454333 -3.53742 63.546000 Cu 0.727403 0.552037 0.25 88 63.546 0.000856516 -3.53997 63.546000 Cu 0.727403 0.552037 0.75 89 63.546 0.000856516 -3.53997 63.546000 Cu 0.718522 0.580619 0.5 91 63.546 0.000303837 -3.54043 63.546000 Cu 0.797649 0.573788 0.75 100 63.546 0.00454333 -3.53742 63.546000 Cu 0.718522 0.580619 1 101 63.546 0.000303837 -3.54043 63.546000 Cu 0.95513 0.559632 0.25 54 63.546 0.00244563 -3.53685 63.546000 Cu 0.95513 0.559632 0.75 55 63.546 0.00244563 -3.53685 63.546000 Cu 0.876662 0.566361 0.5 56 63.546 0.0128907 -3.54215 63.546000 Cu 0.946393 0.588483 0.5 57 63.546 0.000248745 -3.53879 63.546000 Cu 0.876662 0.566361 6.73431e-17 60 63.546 0.0128907 -3.54215 63.546000 Cu 0.946393 0.588483 3.31274e-16 67 63.546 0.000248745 -3.53879 63.546000 Cu 0.867683 0.595351 0.25 96 63.546 0.00211075 -3.5411 63.546000 Cu 0.867683 0.595351 0.75 97 63.546 0.00211075 -3.5411 63.546000 Cu 0.0951631 0.603659 0.25 62 63.546 0.000340044 -3.53831 63.546000 Cu 0.0951631 0.603659 0.75 63 63.546 0.000340044 -3.53831 63.546000 Cu 0.0162783 0.610501 0.5 64 63.546 1.75971e-05 -3.53944 63.546000 Cu 0.0861724 0.632481 0.5 65 63.546 3.75134e-05 -3.53904 63.546000 Cu 0.0162783 0.610501 1.70229e-16 68 63.546 1.75971e-05 -3.53944 63.546000 Cu 0.0861724 0.632481 2.41143e-16 75 63.546 3.75134e-05 -3.53904 63.546000 Cu 0.00730607 0.639324 0.25 104 63.546 2.7109e-05 -3.53955 63.546000 Cu 0.00730607 0.639324 0.75 105 63.546 2.7109e-05 -3.53955 63.546000 Cu 0.243749 0.619006 0.5 39 63.546 0.00704837 -3.54103 63.546000 Cu 0.243749 0.619006 1.39448e-17 43 63.546 0.00704837 -3.54103 63.546000 Cu 0.165004 0.625594 0.25 61 63.546 0.00166588 -3.53983 63.546000 Cu 0.234789 0.647828 0.25 70 63.546 0.00290796 -3.54054 63.546000 Cu 0.234789 0.647828 0.75 71 63.546 0.00290796 -3.54054 63.546000 Cu 0.165004 0.625594 0.75 74 63.546 0.00166588 -3.53983 63.546000 Cu 0.322543 0.613147 0.25 37 63.546 0.0030323 -3.53642 63.546000 Cu 0.322543 0.613147 0.75 38 63.546 0.0030323 -3.53642 63.546000 Cu 0.313658 0.641659 0.5 40 63.546 0.000929216 -3.53875 63.546000 Cu 0.313658 0.641659 2.18695e-16 44 63.546 0.000929216 -3.53875 63.546000 Cu 0.401744 0.607205 0.5 190 63.546 0.00290752 -3.53867 63.546000 Cu 0.401744 0.607205 3.71068e-16 197 63.546 0.00290752 -3.53867 63.546000 Cu 0.392801 0.635566 0.25 243 63.546 0.0012865 -3.53903 63.546000 Cu 0.392801 0.635566 0.75 249 63.546 0.0012865 -3.53903 63.546000 Cu 0.481144 0.600869 0.25 187 63.546 0.00373807 -3.53813 63.546000 Cu 0.551389 0.6226 0.25 192 63.546 0.000360385 -3.54104 63.546000 Cu 0.551389 0.6226 0.75 193 63.546 0.000360385 -3.54104 63.546000 Cu 0.472125 0.629256 0.5 194 63.546 0.00161809 -3.53903 63.546000 Cu 0.481144 0.600869 0.75 196 63.546 0.00373807 -3.53813 63.546000 Cu 0.472125 0.629256 4.30248e-16 198 63.546 0.00161809 -3.53903 63.546000 Cu 0.63051 0.615934 0.5 143 63.546 1.45893e-05 -3.54013 63.546000 Cu 0.70061 0.637886 0.5 150 63.546 0.000134755 -3.53988 63.546000 Cu 0.63051 0.615934 0 153 63.546 1.45893e-05 -3.54013 63.546000 Cu 0.70061 0.637886 2.39102e-16 154 63.546 0.000134755 -3.53988 63.546000 Cu 0.621562 0.644536 0.25 191 63.546 0.000101886 -3.54014 63.546000 Cu 0.621562 0.644536 0.75 204 63.546 0.000101886 -3.54014 63.546000 Cu 0.709583 0.609255 0.25 139 63.546 0.000220728 -3.54012 63.546000 Cu 0.709583 0.609255 0.75 152 63.546 0.000220728 -3.54012 63.546000 Cu 0.788638 0.602446 0.5 98 63.546 0.00103032 -3.53889 63.546000 Cu 0.788638 0.602446 5.10175e-17 102 63.546 0.00103032 -3.53889 63.546000 Cu 0.779629 0.631137 0.25 148 63.546 0.000404257 -3.53935 63.546000 Cu 0.779629 0.631137 0.75 149 63.546 0.000404257 -3.53935 63.546000 Cu 0.937445 0.617333 0.25 95 63.546 4.50362e-05 -3.53948 63.546000 Cu 0.858599 0.624207 0.5 99 63.546 0.000325055 -3.54036 63.546000 Cu 0.928435 0.646154 0.5 106 63.546 1.74371e-05 -3.53965 63.546000 Cu 0.937445 0.617333 0.75 108 63.546 4.50362e-05 -3.53948 63.546000 Cu 0.858599 0.624207 1.70058e-19 109 63.546 0.000325055 -3.54036 63.546000 Cu 0.928435 0.646154 1.69378e-16 110 63.546 1.74371e-05 -3.53965 63.546000 Cu 0.0771171 0.661299 0.25 103 63.546 2.76523e-05 -3.53939 63.546000 Cu 0.0681345 0.690088 0.5 114 63.546 3.04754e-05 -3.53952 63.546000 Cu 0.0771171 0.661299 0.75 116 63.546 2.76523e-05 -3.53939 63.546000 Cu 0.0681345 0.690088 1 118 63.546 3.04754e-05 -3.53952 63.546000 Cu 0.155975 0.654468 0.5 72 63.546 0.000624947 -3.53989 63.546000 Cu 0.225885 0.676602 0.5 73 63.546 0.00130816 -3.54041 63.546000 Cu 0.155975 0.654468 2.96072e-16 76 63.546 0.000624947 -3.53989 63.546000 Cu 0.225885 0.676602 2.88249e-16 79 63.546 0.00130816 -3.54041 63.546000 Cu 0.147022 0.683286 0.25 112 63.546 0.000230543 -3.53994 63.546000 Cu 0.147022 0.683286 0.75 113 63.546 0.000230543 -3.53994 63.546000 Cu 0.304822 0.670234 0.25 69 63.546 0.000428112 -3.53972 63.546000 Cu 0.295868 0.698858 0.5 77 63.546 0.000281307 -3.54003 63.546000 Cu 0.304822 0.670234 0.75 78 63.546 0.000428112 -3.53972 63.546000 Cu 0.295868 0.698858 1 80 63.546 0.000281307 -3.54003 63.546000 Cu 0.383922 0.663994 0.5 247 63.546 0.000460834 -3.53925 63.546000 Cu 0.383922 0.663994 3.04745e-16 250 63.546 0.000460834 -3.53925 63.546000 Cu 0.374909 0.692485 0.25 300 63.546 0.00018903 -3.53964 63.546000 Cu 0.374909 0.692485 0.75 301 63.546 0.00018903 -3.53964 63.546000 Cu 0.542424 0.651136 0.5 195 63.546 0.00024696 -3.54053 63.546000 Cu 0.542424 0.651136 1.50332e-16 205 63.546 0.00024696 -3.54053 63.546000 Cu 0.533307 0.679656 0.25 244 63.546 8.12584e-05 -3.54019 63.546000 Cu 0.46313 0.657664 0.25 245 63.546 0.000592523 -3.53934 63.546000 Cu 0.46313 0.657664 0.75 246 63.546 0.000592523 -3.53934 63.546000 Cu 0.454094 0.686117 0.5 248 63.546 0.000152429 -3.53946 63.546000 Cu 0.533307 0.679656 0.75 256 63.546 8.12584e-05 -3.54019 63.546000 Cu 0.454094 0.686117 1 257 63.546 0.000152429 -3.53946 63.546000 Cu 0.69157 0.666529 0.25 200 63.546 0.000126487 -3.54012 63.546000 Cu 0.69157 0.666529 0.75 201 63.546 0.000126487 -3.54012 63.546000 Cu 0.6125 0.673128 0.5 202 63.546 0.000115703 -3.54019 63.546000 Cu 0.68249 0.695167 0.5 203 63.546 0.000181567 -3.54015 63.546000 Cu 0.6125 0.673128 3.13928e-16 206 63.546 0.000115703 -3.54019 63.546000 Cu 0.68249 0.695167 1 213 63.546 0.000181567 -3.54015 63.546000 Cu 0.770614 0.659831 0.5 151 63.546 0.000242975 -3.53988 63.546000 Cu 0.840455 0.681773 0.5 158 63.546 0.000101519 -3.53997 63.546000 Cu 0.770614 0.659831 4.3535e-17 161 63.546 0.000242975 -3.53988 63.546000 Cu 0.840455 0.681773 1.70058e-19 162 63.546 0.000101519 -3.53997 63.546000 Cu 0.761513 0.688536 0.25 199 63.546 0.000270605 -3.53992 63.546000 Cu 0.761513 0.688536 0.75 212 63.546 0.000270605 -3.53992 63.546000 Cu 0.849573 0.653003 0.25 147 63.546 0.000112883 -3.53996 63.546000 Cu 0.849573 0.653003 0.75 160 63.546 0.000112883 -3.53996 63.546000 Cu 0.998223 0.66813 0.5 107 63.546 4.37925e-05 -3.53965 63.546000 Cu 0.998223 0.66813 3.13588e-16 117 63.546 4.37925e-05 -3.53965 63.546000 Cu 0.989274 0.696926 0.25 155 63.546 1.19273e-05 -3.53975 63.546000 Cu 0.989274 0.696926 0.75 168 63.546 1.19273e-05 -3.53975 63.546000 Cu 0.919367 0.674965 0.25 156 63.546 5.42965e-05 -3.53983 63.546000 Cu 0.919367 0.674965 0.75 157 63.546 5.42965e-05 -3.53983 63.546000 Cu 0.128979 0.740847 0.25 163 63.546 0.000134551 -3.53954 63.546000 Cu 0.0591086 0.718879 0.25 164 63.546 4.75933e-05 -3.5396 63.546000 Cu 0.0591086 0.718879 0.75 165 63.546 4.75933e-05 -3.5396 63.546000 Cu 0.0501338 0.747671 0.5 167 63.546 5.72823e-05 -3.53962 63.546000 Cu 0.128979 0.740847 0.75 176 63.546 0.000134551 -3.53954 63.546000 Cu 0.0501338 0.747671 3.93515e-16 177 63.546 5.72823e-05 -3.53962 63.546000 Cu 0.137978 0.712082 0.5 115 63.546 8.88737e-05 -3.53996 63.546000 Cu 0.137978 0.712082 1 124 63.546 8.88737e-05 -3.53996 63.546000 Cu 0.216905 0.705359 0.25 111 63.546 0.000645969 -3.54051 63.546000 Cu 0.207847 0.734101 0.5 121 63.546 0.0004411 -3.54004 63.546000 Cu 0.216905 0.705359 0.75 123 63.546 0.000645969 -3.54051 63.546000 Cu 0.207847 0.734101 1 125 63.546 0.0004411 -3.54004 63.546000 Cu 0.286791 0.727514 0.25 119 63.546 0.000352509 -3.53999 63.546000 Cu 0.286791 0.727514 0.75 120 63.546 0.000352509 -3.53999 63.546000 Cu 0.365812 0.721031 0.5 302 63.546 0.000428196 -3.54008 63.546000 Cu 0.365812 0.721031 3.88584e-16 309 63.546 0.000428196 -3.54008 63.546000 Cu 0.357006 0.749584 0.25 353 63.546 0.000141864 -3.54002 63.546000 Cu 0.357006 0.749584 0.75 358 63.546 0.000141864 -3.54002 63.546000 Cu 0.524206 0.70817 0.5 254 63.546 0.000147979 -3.53992 63.546000 Cu 0.524206 0.70817 1.57474e-16 258 63.546 0.000147979 -3.53992 63.546000 Cu 0.445 0.714599 0.25 299 63.546 0.000153769 -3.53968 63.546000 Cu 0.515343 0.736654 0.25 304 63.546 8.62657e-05 -3.53958 63.546000 Cu 0.515343 0.736654 0.75 305 63.546 8.62657e-05 -3.53958 63.546000 Cu 0.43614 0.743064 0.5 306 63.546 0.000187376 -3.53948 63.546000 Cu 0.445 0.714599 0.75 308 63.546 0.000153769 -3.53968 63.546000 Cu 0.43614 0.743064 3.62054e-16 310 63.546 0.000187376 -3.53948 63.546000 Cu 0.673552 0.723783 0.25 251 63.546 0.000187265 -3.54011 63.546000 Cu 0.603357 0.701698 0.25 252 63.546 0.000173302 -3.5403 63.546000 Cu 0.603357 0.701698 0.75 253 63.546 0.000173302 -3.5403 63.546000 Cu 0.594477 0.730254 0.5 255 63.546 0.000148145 -3.54013 63.546000 Cu 0.673552 0.723783 0.75 264 63.546 0.000187265 -3.54011 63.546000 Cu 0.594477 0.730254 6.27516e-17 265 63.546 0.000148145 -3.54013 63.546000 Cu 0.831527 0.710524 0.25 208 63.546 8.97649e-05 -3.54013 63.546000 Cu 0.831527 0.710524 0.75 209 63.546 8.97649e-05 -3.54013 63.546000 Cu 0.752578 0.717221 0.5 210 63.546 0.000253065 -3.54018 63.546000 Cu 0.82266 0.739275 0.5 211 63.546 0.000183284 -3.53983 63.546000 Cu 0.752578 0.717221 0 214 63.546 0.000253065 -3.54018 63.546000 Cu 0.82266 0.739275 1 221 63.546 0.000183284 -3.53983 63.546000 Cu 0.743774 0.745901 0.25 260 63.546 0.000315576 -3.54002 63.546000 Cu 0.743774 0.745901 0.75 261 63.546 0.000315576 -3.54002 63.546000 Cu 0.91042 0.70375 0.5 159 63.546 4.15421e-05 -3.53994 63.546000 Cu 0.980277 0.725734 0.5 166 63.546 4.47167e-05 -3.5397 63.546000 Cu 0.91042 0.70375 1.53393e-16 169 63.546 4.15421e-05 -3.53994 63.546000 Cu 0.980277 0.725734 5.15277e-17 170 63.546 4.47167e-05 -3.5397 63.546000 Cu 0.901466 0.732541 0.25 207 63.546 7.48148e-05 -3.53963 63.546000 Cu 0.901466 0.732541 0.75 220 63.546 7.48148e-05 -3.53963 63.546000 Cu 0.120142 0.769594 0.5 174 63.546 9.85817e-05 -3.53987 63.546000 Cu 0.120142 0.769594 1 178 63.546 9.85817e-05 -3.53987 63.546000 Cu 0.0412465 0.77646 0.25 215 63.546 6.95773e-05 -3.53986 63.546000 Cu 0.111335 0.798337 0.25 224 63.546 0.000132938 -3.53995 63.546000 Cu 0.111335 0.798337 0.75 225 63.546 0.000132938 -3.53995 63.546000 Cu 0.0412465 0.77646 0.75 228 63.546 6.95773e-05 -3.53986 63.546000 Cu 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63.546 0.000820907 -3.53893 63.546000 Cu 0.49779 0.793547 0.75 364 63.546 0.000820907 -3.53893 63.546000 Cu 0.664839 0.752382 0.5 262 63.546 0.000241764 -3.53962 63.546000 Cu 0.664839 0.752382 2.68862e-16 266 63.546 0.000241764 -3.53962 63.546000 Cu 0.585791 0.758785 0.25 303 63.546 0.00023078 -3.54015 63.546000 Cu 0.65599 0.780968 0.25 312 63.546 0.000264529 -3.53953 63.546000 Cu 0.65599 0.780968 0.75 313 63.546 0.000264529 -3.53953 63.546000 Cu 0.576909 0.78729 0.5 314 63.546 9.29953e-05 -3.54014 63.546000 Cu 0.585791 0.758785 0.75 316 63.546 0.00023078 -3.54015 63.546000 Cu 0.576909 0.78729 1 318 63.546 9.29953e-05 -3.54014 63.546000 Cu 0.813768 0.76805 0.25 259 63.546 0.000271248 -3.53991 63.546000 Cu 0.734919 0.774611 0.5 263 63.546 0.000523494 -3.54034 63.546000 Cu 0.804861 0.79683 0.5 270 63.546 0.000481141 -3.53985 63.546000 Cu 0.813768 0.76805 0.75 272 63.546 0.000271248 -3.53991 63.546000 Cu 0.734919 0.774611 9.40423e-17 273 63.546 0.000523494 -3.54034 63.546000 Cu 0.804861 0.79683 2.21926e-16 274 63.546 0.000481141 -3.53985 63.546000 Cu 0.971325 0.754541 0.25 216 63.546 0.000100204 -3.53963 63.546000 Cu 0.971325 0.754541 0.75 217 63.546 0.000100204 -3.53963 63.546000 Cu 0.892554 0.761347 0.5 218 63.546 0.000143068 -3.53957 63.546000 Cu 0.962425 0.783363 0.5 219 63.546 0.000296081 -3.53999 63.546000 Cu 0.892554 0.761347 1.70058e-19 222 63.546 0.000143068 -3.53957 63.546000 Cu 0.962425 0.783363 1.49651e-17 229 63.546 0.000296081 -3.53999 63.546000 Cu 0.883641 0.790153 0.25 268 63.546 0.000217372 -3.53936 63.546000 Cu 0.883641 0.790153 0.75 269 63.546 0.000217372 -3.53936 63.546000 Cu 0.0324559 0.805253 0.5 226 63.546 4.34241e-05 -3.5394 63.546000 Cu 0.102546 0.827084 0.5 227 63.546 0.000148987 -3.54017 63.546000 Cu 0.0324559 0.805253 1.39448e-16 230 63.546 4.34241e-05 -3.5394 63.546000 Cu 0.102546 0.827084 6.86526e-16 237 63.546 0.000148987 -3.54017 63.546000 Cu 0.0236751 0.83405 0.25 276 63.546 0.000124459 -3.53891 63.546000 Cu 0.0236751 0.83405 0.75 277 63.546 0.000124459 -3.53891 63.546000 Cu 0.260408 0.813464 0.5 181 63.546 0.000238978 -3.54093 63.546000 Cu 0.260408 0.813464 1.70058e-19 185 63.546 0.000238978 -3.54093 63.546000 Cu 0.181493 0.820211 0.25 223 63.546 0.000270483 -3.5391 63.546000 Cu 0.251607 0.842188 0.25 232 63.546 0.00168897 -3.54217 63.546000 Cu 0.251607 0.842188 0.75 233 63.546 0.00168897 -3.54217 63.546000 Cu 0.172707 0.848865 0.5 234 63.546 0.00212136 -3.5375 63.546000 Cu 0.181493 0.820211 0.75 236 63.546 0.000270483 -3.5391 63.546000 Cu 0.172707 0.848865 1 238 63.546 0.00212136 -3.5375 63.546000 Cu 0.339422 0.806674 0.25 179 63.546 0.000260411 -3.5396 63.546000 Cu 0.339422 0.806674 0.75 180 63.546 0.000260411 -3.5396 63.546000 Cu 0.33066 0.835241 0.5 182 63.546 0.000558273 -3.5393 63.546000 Cu 0.33066 0.835241 4.0627e-16 186 63.546 0.000558273 -3.5393 63.546000 Cu 0.409809 0.828503 0.25 397 63.546 0.000486172 -3.54061 63.546000 Cu 0.409809 0.828503 0.75 403 63.546 0.000486172 -3.54061 63.546000 Cu 0.418592 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-3.54862 63.546000 Cu 0.0737126 0.974251 0.25 383 63.546 5.62898 -3.52888 63.546000 Cu 0.0737126 0.974251 0.75 394 63.546 5.62898 -3.52888 63.546000 Cu 0.158792 0.986921 0.25 391 63.546 9.22765 -3.39435 63.546000 Cu 0.158792 0.986921 0.75 392 63.546 9.22765 -3.39435 63.546000 Cu 0.222883 0.960198 0.25 344 63.546 5.01361 -3.56253 63.546000 Cu 0.222883 0.960198 0.75 345 63.546 5.01361 -3.56253 63.546000 Cu 0.144229 0.960531 0.5 346 63.546 6.21003 -3.37794 63.546000 Cu 0.236607 0.992121 0.5 347 63.546 6.6859 -3.51199 63.546000 Cu 0.144229 0.960531 1.06304e-15 350 63.546 6.21003 -3.37794 63.546000 Cu 0.236607 0.992121 4.79735e-16 352 63.546 6.6859 -3.51199 63.546000 Cu 0.302216 0.976396 0.25 343 63.546 6.81062 -3.40035 63.546000 Cu 0.302216 0.976396 0.75 351 63.546 6.81062 -3.40035 63.546000 Cu 0.381055 0.974414 0.5 451 63.546 5.5173 -3.5425 63.546000 Cu 0.381055 0.974414 1.04586e-16 454 63.546 5.5173 -3.5425 63.546000 Cu 0.530016 0.960696 0.5 435 63.546 4.98329 -3.57687 63.546000 Cu 0.530016 0.960696 5.10175e-19 444 63.546 4.98329 -3.57687 63.546000 Cu 0.544214 0.99171 0.25 448 63.546 6.77521 -3.5281 63.546000 Cu 0.451412 0.960689 0.25 449 63.546 6.16385 -3.37342 63.546000 Cu 0.451412 0.960689 0.75 450 63.546 6.16385 -3.37342 63.546000 Cu 0.46637 0.986823 0.5 452 63.546 9.14303 -3.38518 63.546000 Cu 0.544214 0.99171 0.75 455 63.546 6.77521 -3.5281 63.546000 Cu 0.46637 0.986823 7.41455e-17 456 63.546 9.14303 -3.38518 63.546000 Cu 0.69005 0.974756 0.25 440 63.546 4.81184 -3.48949 63.546000 Cu 0.69005 0.974756 0.75 441 63.546 4.81184 -3.48949 63.546000 Cu 0.610692 0.976396 0.5 442 63.546 6.05944 -3.41471 63.546000 Cu 0.610692 0.976396 1 445 63.546 6.05944 -3.41471 63.546000 Cu 0.837288 0.960295 0.25 413 63.546 6.50021 -3.38622 63.546000 Cu 0.768508 0.974791 0.5 417 63.546 5.93844 -3.48534 63.546000 Cu 0.852974 0.987029 0.5 423 63.546 9.07499 -3.40663 63.546000 Cu 0.837288 0.960295 0.75 424 63.546 6.50021 -3.38622 63.546000 Cu 0.768508 0.974791 5.86702e-16 425 63.546 5.93844 -3.48534 63.546000 Cu 0.852974 0.987029 5.35004e-16 426 63.546 9.07499 -3.40663 63.546000 Cu 0.91598 0.960041 0.5 386 63.546 5.15675 -3.54897 63.546000 Cu 0.99498 0.976428 0.5 387 63.546 7.037 -3.40061 63.546000 Cu 0.91598 0.960041 1 390 63.546 5.15675 -3.54897 63.546000 Cu 0.99498 0.976428 3.36206e-16 395 63.546 7.037 -3.40061 63.546000 Cu 0.930358 0.992653 0.25 421 63.546 6.45218 -3.49797 63.546000 Cu 0.930358 0.992653 0.75 422 63.546 6.45218 -3.49797