Number of particles = 972 A = 1 Angstrom (basic length-scale) H0(1,1) = 28.2449 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 112.942 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61405 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 0.0299089 0.0261786 1 498 63.546 0.00445702 -3.53632 63.546000 Cu 0.0382863 0.00332579 1 501 63.546 0.0179752 -3.53362 63.546000 Cu 0.128483 0.00379338 1.22579e-16 502 63.546 0.0761074 -3.52583 63.546000 Cu 0.0792865 0.015064 0.5 503 63.546 0.016828 -3.5317 63.546000 Cu 0.119742 0.027215 1.22744e-16 515 63.546 0.0334062 -3.53671 63.546000 Cu 0.0705531 0.0380769 0.5 513 63.546 0.00969084 -3.53751 63.546000 Cu 0.168353 0.016447 0.5 517 63.546 0.0813697 -3.52949 63.546000 Cu 0.208724 0.0296804 1 516 63.546 0.0415019 -3.53593 63.546000 Cu 0.216961 0.00612419 4.27945e-17 519 63.546 0.229521 -3.5196 63.546000 Cu 0.305876 0.0118236 1 520 63.546 0.580415 -3.46987 63.546000 Cu 0.256647 0.0199631 0.5 521 63.546 0.10283 -3.52937 63.546000 Cu 0.29822 0.0337449 2.45067e-16 541 63.546 0.0983815 -3.51654 63.546000 Cu 0.356384 0.00240239 0.5 522 63.546 0.5163 -3.49404 63.546000 Cu 0.38937 0.0359892 2.43432e-16 542 63.546 0.0213819 -3.53239 63.546000 Cu 0.347819 0.0241453 0.5 543 63.546 0.127486 -3.51907 63.546000 Cu 0.398096 0.0138628 1 545 63.546 0.0375745 -3.53174 63.546000 Cu 0.488977 0.0144999 1 546 63.546 0.00556312 -3.53652 63.546000 Cu 0.44759 0.00300768 0.5 547 63.546 0.0205595 -3.53693 63.546000 Cu 0.439221 0.0254217 0.5 548 63.546 0.0074684 -3.53575 63.546000 Cu 0.48027 0.037087 4.27945e-17 575 63.546 0.00236203 -3.53759 63.546000 Cu 0.538286 0.00332579 0.5 549 63.546 0.0179752 -3.53362 63.546000 Cu 0.529909 0.0261786 0.5 577 63.546 0.00445702 -3.53632 63.546000 Cu 0.579287 0.015064 1 579 63.546 0.016828 -3.5317 63.546000 Cu 0.628483 0.00379338 0.5 581 63.546 0.0761074 -3.52583 63.546000 Cu 0.619742 0.027215 0.5 582 63.546 0.0334062 -3.53671 63.546000 Cu 0.570553 0.0380769 1 576 63.546 0.00969084 -3.53751 63.546000 Cu 0.668353 0.016447 1 580 63.546 0.0813697 -3.52949 63.546000 Cu 0.716961 0.00612419 0.5 583 63.546 0.229521 -3.5196 63.546000 Cu 0.708724 0.0296804 0.5 619 63.546 0.0415019 -3.53593 63.546000 Cu 0.756647 0.0199631 1 621 63.546 0.10283 -3.52937 63.546000 Cu 0.805876 0.0118236 0.5 623 63.546 0.580415 -3.46987 63.546000 Cu 0.79822 0.0337449 0.5 624 63.546 0.0983815 -3.51654 63.546000 Cu 0.856384 0.00240239 1 491 63.546 0.5163 -3.49404 63.546000 Cu 0.94759 0.00300768 1 492 63.546 0.0205595 -3.53693 63.546000 Cu 0.898096 0.0138628 0.5 493 63.546 0.0375745 -3.53174 63.546000 Cu 0.88937 0.0359892 0.5 495 63.546 0.0213819 -3.53239 63.546000 Cu 0.939221 0.0254217 1 497 63.546 0.0074684 -3.53575 63.546000 Cu 0.988977 0.0144999 0.5 499 63.546 0.00556312 -3.53652 63.546000 Cu 0.98027 0.037087 0.5 500 63.546 0.00236203 -3.53759 63.546000 Cu 0.847819 0.0241453 1 622 63.546 0.127486 -3.51907 63.546000 Cu 0.0211312 0.0489079 1 511 63.546 0.00225836 -3.53843 63.546000 Cu 0.111083 0.0502684 1 512 63.546 0.0173916 -3.54014 63.546000 Cu 0.0618544 0.060898 0.5 514 63.546 0.00611012 -3.53986 63.546000 Cu 0.160032 0.039774 0.5 518 63.546 0.0359572 -3.53933 63.546000 Cu 0.102477 0.0731228 1 533 63.546 0.00885789 -3.54175 63.546000 Cu 0.151541 0.0627515 0.5 535 63.546 0.0152976 -3.5419 63.546000 Cu 0.0124628 0.0715491 1 508 63.546 0.00133606 -3.53946 63.546000 Cu 0.192086 0.0754382 1 534 63.546 0.00465404 -3.54105 63.546000 Cu 0.200434 0.05267 4.27945e-17 537 63.546 0.0131944 -3.54061 63.546000 Cu 0.290189 0.0559262 1 538 63.546 0.0232742 -3.52939 63.546000 Cu 0.249181 0.0429305 0.5 539 63.546 0.0133213 -3.5388 63.546000 Cu 0.241084 0.0655599 0.5 540 63.546 0.00346958 -3.53897 63.546000 Cu 0.331349 0.0683252 0.5 569 63.546 0.0146029 -3.53305 63.546000 Cu 0.339653 0.0461542 0.5 544 63.546 0.0407168 -3.52671 63.546000 Cu 0.380896 0.0581919 2.48547e-16 571 63.546 0.0112604 -3.53458 63.546000 Cu 0.471559 0.0596193 1.13834e-16 572 63.546 0.00150767 -3.53862 63.546000 Cu 0.430566 0.0477795 0.5 573 63.546 0.00538521 -3.53685 63.546000 Cu 0.421994 0.0701476 0.5 574 63.546 0.00337262 -3.53762 63.546000 Cu 0.512463 0.0715491 0.5 611 63.546 0.00133606 -3.53946 63.546000 Cu 0.521131 0.0489079 0.5 578 63.546 0.00225836 -3.53843 63.546000 Cu 0.561854 0.060898 4.27945e-17 613 63.546 0.00611012 -3.53986 63.546000 Cu 0.651541 0.0627515 4.27945e-17 614 63.546 0.0152976 -3.5419 63.546000 Cu 0.611083 0.0502684 0.5 615 63.546 0.0173916 -3.54014 63.546000 Cu 0.602477 0.0731228 0.5 616 63.546 0.00885789 -3.54175 63.546000 Cu 0.660032 0.039774 1 617 63.546 0.0359572 -3.53933 63.546000 Cu 0.749181 0.0429305 1 618 63.546 0.0133213 -3.5388 63.546000 Cu 0.700434 0.05267 0.5 620 63.546 0.0131944 -3.54061 63.546000 Cu 0.692086 0.0754382 0.5 659 63.546 0.00465404 -3.54105 63.546000 Cu 0.741084 0.0655599 4.27945e-17 661 63.546 0.00346958 -3.53897 63.546000 Cu 0.831349 0.0683252 1 662 63.546 0.0146029 -3.53305 63.546000 Cu 0.790189 0.0559262 0.5 663 63.546 0.0232742 -3.52939 63.546000 Cu 0.839653 0.0461542 1 665 63.546 0.0407168 -3.52671 63.546000 Cu 0.930566 0.0477795 1 494 63.546 0.00538521 -3.53685 63.546000 Cu 0.880896 0.0581919 0.5 496 63.546 0.0112604 -3.53458 63.546000 Cu 0.921994 0.0701476 4.27945e-17 507 63.546 0.00337262 -3.53762 63.546000 Cu 0.971559 0.0596193 0.5 509 63.546 0.00150767 -3.53862 63.546000 Cu 0.0938954 0.0958664 4.27945e-17 530 63.546 0.00391507 -3.54141 63.546000 Cu 0.0532341 0.0836212 0.5 531 63.546 0.00327288 -3.54062 63.546000 Cu 0.0446069 0.106275 0.5 532 63.546 0.00156727 -3.54092 63.546000 Cu 0.143059 0.0855538 0.5 536 63.546 0.00612573 -3.54173 63.546000 Cu 0.134504 0.108242 0.5 561 63.546 0.00258993 -3.54117 63.546000 Cu 0.00388609 0.0941382 4.27945e-17 529 63.546 0.000790465 -3.5398 63.546000 Cu 0.183662 0.0980865 1.22624e-16 563 63.546 0.00193302 -3.54045 63.546000 Cu 0.273636 0.100607 4.27945e-17 564 63.546 0.00219472 -3.5376 63.546000 Cu 0.232772 0.0880909 0.5 565 63.546 0.00124118 -3.53909 63.546000 Cu 0.224389 0.110602 0.5 566 63.546 0.000444234 -3.5394 63.546000 Cu 0.281982 0.0782304 2.45172e-16 567 63.546 0.00662783 -3.53501 63.546000 Cu 0.323002 0.090602 0.5 570 63.546 0.0055556 -3.53637 63.546000 Cu 0.314549 0.112957 0.5 603 63.546 0.00226098 -3.53774 63.546000 Cu 0.372474 0.0804719 4.27945e-17 568 63.546 0.00582939 -3.53662 63.546000 Cu 0.363989 0.102806 4.57675e-16 605 63.546 0.00267085 -3.53789 63.546000 Cu 0.454409 0.104596 2.45232e-16 606 63.546 0.000583607 -3.5392 63.546000 Cu 0.413505 0.0925344 0.5 607 63.546 0.00202297 -3.53841 63.546000 Cu 0.404909 0.114944 0.5 608 63.546 0.000928638 -3.53881 63.546000 Cu 0.463014 0.082111 6.18593e-17 609 63.546 0.000930014 -3.53896 63.546000 Cu 0.503886 0.0941382 0.5 612 63.546 0.000790465 -3.5398 63.546000 Cu 0.553234 0.0836212 1 610 63.546 0.00327288 -3.54062 63.546000 Cu 0.544607 0.106275 7.49992e-20 653 63.546 0.00156727 -3.54092 63.546000 Cu 0.634504 0.108242 0 654 63.546 0.00258993 -3.54117 63.546000 Cu 0.593895 0.0958664 0.5 655 63.546 0.00391507 -3.54141 63.546000 Cu 0.643059 0.0855538 1 657 63.546 0.00612573 -3.54173 63.546000 Cu 0.732772 0.0880909 1 658 63.546 0.00124118 -3.53909 63.546000 Cu 0.683662 0.0980865 0.5 660 63.546 0.00193302 -3.54045 63.546000 Cu 0.781982 0.0782304 0.5 664 63.546 0.00662783 -3.53501 63.546000 Cu 0.724389 0.110602 1 701 63.546 0.000444234 -3.5394 63.546000 Cu 0.814549 0.112957 1 702 63.546 0.00226098 -3.53774 63.546000 Cu 0.773636 0.100607 0.5 703 63.546 0.00219472 -3.5376 63.546000 Cu 0.823002 0.090602 4.27945e-17 705 63.546 0.0055556 -3.53637 63.546000 Cu 0.913505 0.0925344 1.22354e-16 504 63.546 0.00202297 -3.53841 63.546000 Cu 0.872474 0.0804719 0.5 505 63.546 0.00582939 -3.53662 63.546000 Cu 0.863989 0.102806 0.5 506 63.546 0.00267085 -3.53789 63.546000 Cu 0.963014 0.082111 0.5 510 63.546 0.000930014 -3.53896 63.546000 Cu 0.904909 0.114944 1 525 63.546 0.000928638 -3.53881 63.546000 Cu 0.954409 0.104596 0.5 527 63.546 0.000583607 -3.5392 63.546000 Cu 0.0766149 0.141146 6.23093e-17 556 63.546 0.00056313 -3.54071 63.546000 Cu 0.0359082 0.128888 0.5 557 63.546 0.00053714 -3.5405 63.546000 Cu 0.0273399 0.151463 0.5 558 63.546 0.000212971 -3.54026 63.546000 Cu 0.0852275 0.118531 1.30349e-16 559 63.546 0.0015557 -3.5413 63.546000 Cu 0.125886 0.130867 0.5 562 63.546 0.00107545 -3.54122 63.546000 Cu 0.117355 0.153458 0.5 595 63.546 0.00042513 -3.54068 63.546000 Cu 0.166625 0.143235 1 597 63.546 0.000503164 -3.54059 63.546000 Cu 0.17512 0.120672 1 560 63.546 0.00104344 -3.54065 63.546000 Cu 0.256677 0.145477 4.27945e-17 598 63.546 0.000237015 -3.53928 63.546000 Cu 0.215888 0.133101 0.5 599 63.546 0.000182168 -3.53971 63.546000 Cu 0.265179 0.123024 4.27945e-17 601 63.546 0.000662406 -3.53838 63.546000 Cu 0.306026 0.135359 0.5 604 63.546 0.00087053 -3.53858 63.546000 Cu 0.355448 0.125201 2.45307e-16 602 63.546 0.00148106 -3.53882 63.546000 Cu 0.346904 0.147625 2.45352e-16 645 63.546 0.000723304 -3.53875 63.546000 Cu 0.437187 0.149567 7.49992e-20 646 63.546 0.000149633 -3.53966 63.546000 Cu 0.396322 0.137389 0.5 647 63.546 0.000549498 -3.53917 63.546000 Cu 0.44577 0.127078 3.67991e-16 649 63.546 0.000237296 -3.53931 63.546000 Cu 0.49518 0.116699 0.5 651 63.546 0.000370741 -3.53993 63.546000 Cu 0.48657 0.139242 0.5 652 63.546 0.000176184 -3.53979 63.546000 Cu 0.535908 0.128888 2.45502e-16 650 63.546 0.00053714 -3.5405 63.546000 Cu 0.585227 0.118531 0.5 656 63.546 0.0015557 -3.5413 63.546000 Cu 0.52734 0.151463 2.15773e-16 693 63.546 0.000212971 -3.54026 63.546000 Cu 0.617355 0.153458 3.68156e-16 694 63.546 0.00042513 -3.54068 63.546000 Cu 0.576615 0.141146 0.5 695 63.546 0.00056313 -3.54071 63.546000 Cu 0.625886 0.130867 1 697 63.546 0.00107545 -3.54122 63.546000 Cu 0.666625 0.143235 0.5 700 63.546 0.000503164 -3.54059 63.546000 Cu 0.67512 0.120672 0.5 699 63.546 0.00104344 -3.54065 63.546000 Cu 0.715888 0.133101 1 698 63.546 0.000182168 -3.53971 63.546000 Cu 0.765179 0.123024 0.5 704 63.546 0.000662406 -3.53838 63.546000 Cu 0.756677 0.145477 0.5 743 63.546 0.000237015 -3.53928 63.546000 Cu 0.806026 0.135359 1 745 63.546 0.00087053 -3.53858 63.546000 Cu 0.896322 0.137389 1 523 63.546 0.000549498 -3.53917 63.546000 Cu 0.855448 0.125201 0.5 524 63.546 0.00148106 -3.53882 63.546000 Cu 0.99518 0.116699 1 526 63.546 0.000370741 -3.53993 63.546000 Cu 0.94577 0.127078 0.5 528 63.546 0.000237296 -3.53931 63.546000 Cu 0.937187 0.149567 0.5 553 63.546 0.000149633 -3.53966 63.546000 Cu 0.98657 0.139242 7.71142e-17 555 63.546 0.000176184 -3.53979 63.546000 Cu 0.846904 0.147625 0.5 746 63.546 0.000723304 -3.53875 63.546000 Cu 0.0597632 0.186306 3.35996e-16 590 63.546 6.52912e-05 -3.54054 63.546000 Cu 0.0188745 0.174033 0.5 591 63.546 5.88062e-05 -3.54074 63.546000 Cu 0.0680969 0.163732 2.45187e-16 593 63.546 0.000224468 -3.5405 63.546000 Cu 0.158127 0.165788 1.22339e-16 594 63.546 0.00034555 -3.54012 63.546000 Cu 0.108952 0.176031 0.5 596 63.546 0.000162207 -3.5404 63.546000 Cu 0.149832 0.188342 2.45367e-16 637 63.546 0.000117275 -3.54019 63.546000 Cu 0.207375 0.155612 0.5 600 63.546 0.000136986 -3.53985 63.546000 Cu 0.239922 0.190455 4.27945e-17 638 63.546 5.48863e-05 -3.53954 63.546000 Cu 0.199004 0.178125 0.5 639 63.546 0.00012886 -3.53971 63.546000 Cu 0.248235 0.167959 1.22324e-16 641 63.546 0.000127903 -3.53963 63.546000 Cu 0.297542 0.157801 0.5 643 63.546 0.000396033 -3.53917 63.546000 Cu 0.28917 0.180267 0.5 644 63.546 0.000127647 -3.53943 63.546000 Cu 0.338457 0.17007 3.68126e-16 642 63.546 0.000208808 -3.53919 63.546000 Cu 0.387813 0.159842 0.5 648 63.546 0.000225851 -3.53931 63.546000 Cu 0.379411 0.182328 0.5 687 63.546 0.000102234 -3.53995 63.546000 Cu 0.428705 0.172075 3.68186e-16 689 63.546 9.79045e-05 -3.54007 63.546000 Cu 0.478017 0.16178 0.5 691 63.546 8.53175e-05 -3.54038 63.546000 Cu 0.469605 0.184321 0.5 692 63.546 2.92047e-05 -3.54037 63.546000 Cu 0.518874 0.174033 4.27945e-17 690 63.546 5.88062e-05 -3.54074 63.546000 Cu 0.568097 0.163732 0.5 696 63.546 0.000224468 -3.5405 63.546000 Cu 0.559763 0.186306 0.5 735 63.546 6.52912e-05 -3.54054 63.546000 Cu 0.608952 0.176031 3.36581e-16 737 63.546 0.000162207 -3.5404 63.546000 Cu 0.658127 0.165788 0.5 739 63.546 0.00034555 -3.54012 63.546000 Cu 0.649832 0.188342 0.5 740 63.546 0.000117275 -3.54019 63.546000 Cu 0.699004 0.178125 4.27945e-17 738 63.546 0.00012886 -3.53971 63.546000 Cu 0.707375 0.155612 1.74733e-16 741 63.546 0.000136986 -3.53985 63.546000 Cu 0.797542 0.157801 2.57547e-17 742 63.546 0.000396033 -3.53917 63.546000 Cu 0.748235 0.167959 0.5 744 63.546 0.000127903 -3.53963 63.546000 Cu 0.739922 0.190455 0.5 783 63.546 5.48863e-05 -3.53954 63.546000 Cu 0.78917 0.180267 3.61946e-16 785 63.546 0.000127647 -3.53943 63.546000 Cu 0.838457 0.17007 0.5 786 63.546 0.000208808 -3.53919 63.546000 Cu 0.879411 0.182328 1.22549e-16 550 63.546 0.000102234 -3.53995 63.546000 Cu 0.887813 0.159842 1.55998e-18 551 63.546 0.000225851 -3.53931 63.546000 Cu 0.978017 0.16178 2.30352e-16 552 63.546 8.53175e-05 -3.54038 63.546000 Cu 0.928705 0.172075 0.5 554 63.546 9.79045e-05 -3.54007 63.546000 Cu 0.969605 0.184321 3.20156e-16 589 63.546 2.92047e-05 -3.54037 63.546000 Cu 0.0514132 0.208853 3.27626e-16 633 63.546 0.000101777 -3.54003 63.546000 Cu 0.141563 0.210899 2.83062e-16 634 63.546 0.000111353 -3.54062 63.546000 Cu 0.100659 0.198598 0.5 635 63.546 6.55932e-05 -3.54026 63.546000 Cu 0.092235 0.221136 0.5 636 63.546 7.25218e-05 -3.5404 63.546000 Cu 0.0105183 0.196588 0.5 592 63.546 1.97013e-05 -3.54027 63.546000 Cu 0.00206967 0.219126 0.5 631 63.546 2.43384e-05 -3.53995 63.546000 Cu 0.190754 0.200656 0.5 640 63.546 8.48847e-05 -3.54007 63.546000 Cu 0.182412 0.223198 0.5 679 63.546 0.000130251 -3.54034 63.546000 Cu 0.231692 0.212975 6.84442e-17 681 63.546 0.000111861 -3.54004 63.546000 Cu 0.321857 0.215052 1 682 63.546 0.000180152 -3.53967 63.546000 Cu 0.280879 0.202764 0.5 683 63.546 4.73977e-05 -3.53993 63.546000 Cu 0.27254 0.225279 0.5 684 63.546 0.000115383 -3.53954 63.546000 Cu 0.330124 0.192549 2.88627e-16 685 63.546 5.23357e-05 -3.54006 63.546000 Cu 0.420354 0.194591 1.43923e-16 686 63.546 4.6919e-05 -3.54007 63.546000 Cu 0.371103 0.204835 0.5 688 63.546 0.000103845 -3.53985 63.546000 Cu 0.362636 0.227349 0.5 727 63.546 7.82466e-05 -3.53988 63.546000 Cu 0.411963 0.217107 1 729 63.546 7.94591e-05 -3.53953 63.546000 Cu 0.461277 0.206855 0.5 731 63.546 8.53039e-05 -3.53996 63.546000 Cu 0.452743 0.229393 0.5 732 63.546 8.7524e-05 -3.53988 63.546000 Cu 0.50207 0.219126 3.14997e-19 730 63.546 2.43384e-05 -3.53995 63.546000 Cu 0.510518 0.196588 2.92272e-16 733 63.546 1.97013e-05 -3.54027 63.546000 Cu 0.600659 0.198598 2.10898e-17 734 63.546 6.55932e-05 -3.54026 63.546000 Cu 0.551413 0.208853 0.5 736 63.546 0.000101777 -3.54003 63.546000 Cu 0.592235 0.221136 2.10298e-17 777 63.546 7.25218e-05 -3.5404 63.546000 Cu 0.641563 0.210899 0.5 779 63.546 0.000111353 -3.54062 63.546000 Cu 0.682412 0.223198 1.90543e-16 778 63.546 0.000130251 -3.54034 63.546000 Cu 0.690754 0.200656 2.45202e-16 781 63.546 8.48847e-05 -3.54007 63.546000 Cu 0.780879 0.202764 4.27945e-17 782 63.546 4.73977e-05 -3.53993 63.546000 Cu 0.731692 0.212975 0.5 784 63.546 0.000111861 -3.54004 63.546000 Cu 0.830124 0.192549 0.5 787 63.546 5.23357e-05 -3.54006 63.546000 Cu 0.77254 0.225279 2.45127e-16 825 63.546 0.000115383 -3.53954 63.546000 Cu 0.821857 0.215052 0.5 826 63.546 0.000180152 -3.53967 63.546000 Cu 0.862636 0.227349 8.43741e-17 584 63.546 7.82466e-05 -3.53988 63.546000 Cu 0.871103 0.204835 3.83381e-16 585 63.546 0.000103845 -3.53985 63.546000 Cu 0.961277 0.206855 1.22519e-16 586 63.546 8.53039e-05 -3.53996 63.546000 Cu 0.920354 0.194591 0.5 587 63.546 4.6919e-05 -3.54007 63.546000 Cu 0.911963 0.217107 0.5 588 63.546 7.94591e-05 -3.53953 63.546000 Cu 0.952743 0.229393 4.27945e-17 629 63.546 8.7524e-05 -3.53988 63.546000 Cu 0.0428714 0.231388 1.98058e-16 630 63.546 6.32426e-05 -3.53999 63.546000 Cu 0.0342081 0.253917 4.27945e-17 673 63.546 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4.27945e-17 955 63.546 0.0240812 -3.52921 63.546000 Cu 0.799582 0.408241 2.12593e-16 956 63.546 0.0116624 -3.54039 63.546000 Cu 0.758426 0.395368 0.5 957 63.546 0.00331676 -3.53868 63.546000 Cu 0.751122 0.418022 0.5 958 63.546 0.0128975 -3.53784 63.546000 Cu 0.80701 0.385454 1 959 63.546 0.00399691 -3.5408 63.546000 Cu 0.840389 0.421127 0.5 490 63.546 0.0303231 -3.53903 63.546000 Cu 0.896771 0.387779 1.64998e-19 747 63.546 0.00725706 -3.54153 63.546000 Cu 0.889012 0.410655 3.03957e-16 789 63.546 0.0150935 -3.54043 63.546000 Cu 0.978956 0.412107 1 790 63.546 0.00293824 -3.53899 63.546000 Cu 0.937865 0.40005 0.5 791 63.546 0.00535598 -3.54025 63.546000 Cu 0.929859 0.42289 0.5 792 63.546 0.00924694 -3.53799 63.546000 Cu 0.986798 0.38944 1 793 63.546 0.0016333 -3.53984 63.546000 Cu 0.848139 0.398134 0.5 960 63.546 0.0120231 -3.54152 63.546000 Cu 0.0614158 0.435634 1 834 63.546 0.00645487 -3.53605 63.546000 Cu 0.0201185 0.423956 0.5 835 63.546 0.0023053 -3.53806 63.546000 Cu 0.111035 0.42505 0.5 840 63.546 0.0200303 -3.53268 63.546000 Cu 0.0531237 0.458031 9.1724e-17 875 63.546 0.0162686 -3.53653 63.546000 Cu 0.14439 0.45862 3.54926e-16 876 63.546 0.486906 -3.49211 63.546000 Cu 0.102691 0.447173 0.5 877 63.546 0.0357896 -3.53153 63.546000 Cu 0.152886 0.436878 1.52848e-17 879 63.546 0.123854 -3.51987 63.546000 Cu 0.0117477 0.446549 0.5 836 63.546 0.00440609 -3.53664 63.546000 Cu 0.244128 0.440978 3.18147e-16 880 63.546 0.0958563 -3.53052 63.546000 Cu 0.202319 0.427242 0.5 881 63.546 0.0963416 -3.51706 63.546000 Cu 0.194924 0.449199 0.5 882 63.546 0.534775 -3.4721 63.546000 Cu 0.291945 0.431237 0.5 886 63.546 0.0382417 -3.53583 63.546000 Cu 0.283854 0.454783 0.5 915 63.546 0.219546 -3.52028 63.546000 Cu 0.332445 0.444453 2.45322e-16 917 63.546 0.0747631 -3.52999 63.546000 Cu 0.421497 0.445893 1 918 63.546 0.0144681 -3.5323 63.546000 Cu 0.380947 0.433707 0.5 919 63.546 0.0294752 -3.5367 63.546000 Cu 0.372317 0.457115 0.5 920 63.546 0.0659217 -3.52607 63.546000 Cu 0.470734 0.434843 0.5 924 63.546 0.00461974 -3.53707 63.546000 Cu 0.462443 0.457691 0.5 945 63.546 0.0149333 -3.53361 63.546000 Cu 0.511748 0.446549 1.30934e-16 947 63.546 0.00440609 -3.53664 63.546000 Cu 0.520119 0.423956 5.64744e-17 922 63.546 0.0023053 -3.53806 63.546000 Cu 0.602691 0.447173 7.66522e-16 948 63.546 0.0357896 -3.53153 63.546000 Cu 0.561416 0.435634 0.5 949 63.546 0.00645487 -3.53605 63.546000 Cu 0.553124 0.458031 0.5 950 63.546 0.0162686 -3.53653 63.546000 Cu 0.611035 0.42505 4.89265e-16 951 63.546 0.0200303 -3.53268 63.546000 Cu 0.652886 0.436878 0.5 954 63.546 0.123854 -3.51987 63.546000 Cu 0.64439 0.45862 0.5 966 63.546 0.486906 -3.49211 63.546000 Cu 0.832445 0.444453 0.5 486 63.546 0.0747631 -3.52999 63.546000 Cu 0.702319 0.427242 1.21979e-16 952 63.546 0.0963416 -3.51706 63.546000 Cu 0.694924 0.449199 2.10973e-16 968 63.546 0.534775 -3.4721 63.546000 Cu 0.783854 0.454783 1 969 63.546 0.219546 -3.52028 63.546000 Cu 0.744128 0.440978 0.5 970 63.546 0.0958563 -3.53052 63.546000 Cu 0.791945 0.431237 2.17678e-16 972 63.546 0.0382417 -3.53583 63.546000 Cu 0.880947 0.433707 1.67728e-16 788 63.546 0.0294752 -3.5367 63.546000 Cu 0.872317 0.457115 2.45427e-16 829 63.546 0.0659217 -3.52607 63.546000 Cu 0.962443 0.457691 1.22639e-16 830 63.546 0.0149333 -3.53361 63.546000 Cu 0.921497 0.445893 0.5 831 63.546 0.0144681 -3.5323 63.546000 Cu 0.970734 0.434843 3.68246e-16 833 63.546 0.00461974 -3.53707 63.546000 Cu 0.0484381 0.480528 3.56471e-16 872 63.546 0.0758631 -3.54311 63.546000 Cu 0.0947692 0.469353 0.5 878 63.546 0.0860939 -3.53159 63.546000 Cu 0.0943826 0.491668 0.5 908 63.546 0.0930275 -3.53224 63.546000 Cu 0.138923 0.480506 3.53111e-16 909 63.546 3.20245 -3.48226 63.546000 Cu 0.00445423 0.46921 0.5 873 63.546 0.0505985 -3.53653 63.546000 Cu 0.00411624 0.491854 0.5 874 63.546 0.0561225 -3.537 63.546000 Cu 0.184855 0.490789 0.5 912 63.546 7.48807 -3.264 63.546000 Cu 0.23739 0.495861 1.23299e-17 910 63.546 5.74246 -3.46457 63.546000 Cu 0.185336 0.470262 0.5 911 63.546 7.48437 -3.27127 63.546000 Cu 0.237773 0.465007 5.96933e-16 913 63.546 5.75147 -3.46652 63.546000 Cu 0.323732 0.468577 1 914 63.546 0.321735 -3.49625 63.546000 Cu 0.271326 0.48047 0.5 916 63.546 4.51901 -3.5754 63.546000 Cu 0.323334 0.49234 2.45712e-16 939 63.546 0.334235 -3.49524 63.546000 Cu 0.413532 0.491993 3.44996e-19 940 63.546 0.0582132 -3.52495 63.546000 Cu 0.365558 0.480478 0.5 941 63.546 0.264933 -3.51488 63.546000 Cu 0.413896 0.469013 1.22969e-16 943 63.546 0.053191 -3.52482 63.546000 Cu 0.457405 0.480527 0.5 946 63.546 0.106668 -3.54135 63.546000 Cu 0.504454 0.46921 1.35614e-16 944 63.546 0.0505985 -3.53653 63.546000 Cu 0.504116 0.491854 4.27945e-17 961 63.546 0.0561225 -3.537 63.546000 Cu 0.594383 0.491668 7.00642e-16 962 63.546 0.0930275 -3.53224 63.546000 Cu 0.548438 0.480528 0.5 963 63.546 0.0758631 -3.54311 63.546000 Cu 0.594769 0.469353 4.54975e-16 964 63.546 0.0860939 -3.53159 63.546000 Cu 0.638923 0.480506 0.5 967 63.546 3.20245 -3.48226 63.546000 Cu 0.684855 0.490789 6.24428e-16 469 63.546 7.48807 -3.264 63.546000 Cu 0.823334 0.49234 0.5 3 63.546 0.334235 -3.49524 63.546000 Cu 0.823732 0.468577 0.5 15 63.546 0.321735 -3.49625 63.546000 Cu 0.771326 0.48047 2.78247e-17 59 63.546 4.51901 -3.5754 63.546000 Cu 0.73739 0.495861 0.5 60 63.546 5.74246 -3.46457 63.546000 Cu 0.685336 0.470262 5.68809e-16 965 63.546 7.48437 -3.27127 63.546000 Cu 0.737773 0.465007 0.5 971 63.546 5.75147 -3.46652 63.546000 Cu 0.865558 0.480478 1.61308e-16 828 63.546 0.264933 -3.51488 63.546000 Cu 0.913896 0.469013 0.5 832 63.546 0.053191 -3.52482 63.546000 Cu 0.913532 0.491993 0.5 870 63.546 0.0582132 -3.52495 63.546000 Cu 0.957405 0.480527 4.27945e-17 871 63.546 0.106668 -3.54135 63.546000 Cu 0.0525435 0.503024 4.27945e-17 1 63.546 0.0206262 -3.53735 63.546000 Cu 0.102004 0.513856 0.5 2 63.546 0.0366678 -3.53216 63.546000 Cu 0.0111084 0.51452 0.5 6 63.546 0.00577916 -3.53649 63.546000 Cu 0.0608162 0.525421 1.22819e-16 8 63.546 0.00762728 -3.53573 63.546000 Cu 0.110676 0.535965 0.5 10 63.546 0.0196341 -3.53232 63.546000 Cu 0.0197603 0.537095 0.5 11 63.546 0.00249657 -3.53763 63.546000 Cu 0.143736 0.502396 3.55436e-16 92 63.546 0.50875 -3.49241 63.546000 Cu 0.152234 0.524131 1 93 63.546 0.124854 -3.51956 63.546000 Cu 0.283181 0.506147 0.5 938 63.546 0.224201 -3.52028 63.546000 Cu 0.194241 0.511801 0.5 94 63.546 0.563412 -3.46852 63.546000 Cu 0.243438 0.519969 1 95 63.546 0.100794 -3.5301 63.546000 Cu 0.291373 0.529687 0.5 97 63.546 0.0425161 -3.53588 63.546000 Cu 0.201862 0.533736 0.5 98 63.546 0.0989176 -3.51689 63.546000 Cu 0.331706 0.516488 1.22969e-16 58 63.546 0.0785879 -3.52964 63.546000 Cu 0.461879 0.503367 0.5 34 63.546 0.0178598 -3.53402 63.546000 Cu 0.420782 0.515117 2.45427e-16 61 63.546 0.0163797 -3.53213 63.546000 Cu 0.470143 0.526195 0.5 63 63.546 0.0045539 -3.53636 63.546000 Cu 0.380332 0.527255 0.5 64 63.546 0.0313757 -3.53654 63.546000 Cu 0.371689 0.503839 0.5 942 63.546 0.0743217 -3.52669 63.546000 Cu 0.429463 0.538114 1.13819e-16 62 63.546 0.00909266 -3.53781 63.546000 Cu 0.643736 0.502396 0.5 14 63.546 0.50875 -3.49241 63.546000 Cu 0.511108 0.51452 2.18683e-16 32 63.546 0.00577916 -3.53649 63.546000 Cu 0.552544 0.503024 0.5 33 63.546 0.0206262 -3.53735 63.546000 Cu 0.602004 0.513856 3.64916e-16 35 63.546 0.0366678 -3.53216 63.546000 Cu 0.610676 0.535965 1.84153e-16 36 63.546 0.0196341 -3.53232 63.546000 Cu 0.652234 0.524131 0.5 37 63.546 0.124854 -3.51956 63.546000 Cu 0.560816 0.525421 0.5 38 63.546 0.00762728 -3.53573 63.546000 Cu 0.51976 0.537095 4.27945e-17 65 63.546 0.00249657 -3.53763 63.546000 Cu 0.783181 0.506147 1.95973e-16 468 63.546 0.224201 -3.52028 63.546000 Cu 0.694241 0.511801 2.52597e-17 13 63.546 0.563412 -3.46852 63.546000 Cu 0.791373 0.529687 4.68295e-17 16 63.546 0.0425161 -3.53588 63.546000 Cu 0.743438 0.519969 0.5 18 63.546 0.100794 -3.5301 63.546000 Cu 0.701862 0.533736 1 39 63.546 0.0989176 -3.51689 63.546000 Cu 0.831706 0.516488 0.5 17 63.546 0.0785879 -3.52964 63.546000 Cu 0.961879 0.503367 1.10384e-16 4 63.546 0.0178598 -3.53402 63.546000 Cu 0.970143 0.526195 4.27945e-17 5 63.546 0.0045539 -3.53636 63.546000 Cu 0.920782 0.515117 0.5 7 63.546 0.0163797 -3.53213 63.546000 Cu 0.880332 0.527255 7.49992e-20 19 63.546 0.0313757 -3.53654 63.546000 Cu 0.871689 0.503839 1 869 63.546 0.0743217 -3.52669 63.546000 Cu 0.929463 0.538114 0.5 21 63.546 0.00909266 -3.53781 63.546000 Cu 0.0695103 0.547768 1 9 63.546 0.00523447 -3.537 63.546000 Cu 0.119216 0.558168 0.5 12 63.546 0.0109393 -3.53491 63.546000 Cu 0.028563 0.55961 0.5 25 63.546 0.00145483 -3.53838 63.546000 Cu 0.0782893 0.570131 1 27 63.546 0.00337853 -3.53743 63.546000 Cu 0.160432 0.546126 1 134 63.546 0.0389038 -3.52665 63.546000 Cu 0.250888 0.542916 9.88339e-17 96 63.546 0.013773 -3.5385 63.546000 Cu 0.299615 0.552675 0.5 102 63.546 0.0133921 -3.54081 63.546000 Cu 0.168907 0.568292 2.45532e-16 135 63.546 0.0132756 -3.53329 63.546000 Cu 0.209927 0.555905 0.5 136 63.546 0.0229982 -3.52948 63.546000 Cu 0.259112 0.565549 1 137 63.546 0.00337586 -3.53896 63.546000 Cu 0.308202 0.57543 0.5 139 63.546 0.0048347 -3.54102 63.546000 Cu 0.478924 0.548915 0.5 68 63.546 0.00245091 -3.53869 63.546000 Cu 0.340024 0.53981 1.37248e-17 99 63.546 0.0332791 -3.53943 63.546000 Cu 0.348606 0.562775 4.2169e-16 100 63.546 0.0141458 -3.54166 63.546000 Cu 0.388955 0.550304 0.5 101 63.546 0.0159455 -3.54015 63.546000 Cu 0.438286 0.560923 1.40413e-16 103 63.546 0.0054162 -3.53993 63.546000 Cu 0.397823 0.573142 0.5 106 63.546 0.00793357 -3.5415 63.546000 Cu 0.487836 0.571551 0.5 105 63.546 0.00130711 -3.53947 63.546000 Cu 0.528563 0.55961 8.20191e-17 66 63.546 0.00145483 -3.53838 63.546000 Cu 0.56951 0.547768 0.5 67 63.546 0.00523447 -3.537 63.546000 Cu 0.619216 0.558168 3.68126e-16 69 63.546 0.0109393 -3.53491 63.546000 Cu 0.578289 0.570131 0.5 72 63.546 0.00337853 -3.53743 63.546000 Cu 0.660432 0.546126 0.5 42 63.546 0.0389038 -3.52665 63.546000 Cu 0.709927 0.555905 2.39997e-19 40 63.546 0.0229982 -3.52948 63.546000 Cu 0.750888 0.542916 0.5 41 63.546 0.013773 -3.5385 63.546000 Cu 0.799615 0.552675 1 43 63.546 0.0133921 -3.54081 63.546000 Cu 0.808202 0.57543 4.16995e-18 44 63.546 0.0048347 -3.54102 63.546000 Cu 0.759112 0.565549 0.5 46 63.546 0.00337586 -3.53896 63.546000 Cu 0.668907 0.568292 0.5 71 63.546 0.0132756 -3.53329 63.546000 Cu 0.987836 0.571551 1 24 63.546 0.00130711 -3.53947 63.546000 Cu 0.888955 0.550304 3.98396e-17 20 63.546 0.0159455 -3.54015 63.546000 Cu 0.840024 0.53981 0.5 22 63.546 0.0332791 -3.53943 63.546000 Cu 0.978924 0.548915 1 23 63.546 0.00245091 -3.53869 63.546000 Cu 0.938286 0.560923 0.5 26 63.546 0.0054162 -3.53993 63.546000 Cu 0.848606 0.562775 0.5 45 63.546 0.0141458 -3.54166 63.546000 Cu 0.897823 0.573142 1 47 63.546 0.00793357 -3.5415 63.546000 Cu 0.0871239 0.592522 1.22489e-16 28 63.546 0.00214596 -3.53828 63.546000 Cu 0.127947 0.580447 0.5 29 63.546 0.00550562 -3.53661 63.546000 Cu 0.0374698 0.582097 0.5 30 63.546 0.000770648 -3.53872 63.546000 Cu 0.136778 0.602783 0.5 31 63.546 0.00235505 -3.53775 63.546000 Cu 0.0464007 0.60459 0.5 53 63.546 0.000575028 -3.53952 63.546000 Cu 0.0959726 0.614938 1 55 63.546 0.00114059 -3.53926 63.546000 Cu 0.267729 0.588073 2.45487e-16 138 63.546 0.00112925 -3.53942 63.546000 Cu 0.218365 0.578212 0.5 140 63.546 0.00659836 -3.53504 63.546000 Cu 0.317018 0.598073 0.5 144 63.546 0.00191609 -3.54105 63.546000 Cu 0.177576 0.590575 6.56993e-17 174 63.546 0.00503265 -3.53631 63.546000 Cu 0.186331 0.612932 3.18747e-16 175 63.546 0.00198038 -3.53809 63.546000 Cu 0.227077 0.600592 0.5 176 63.546 0.00233791 -3.53783 63.546000 Cu 0.276485 0.610584 4.36045e-17 177 63.546 0.000553643 -3.53979 63.546000 Cu 0.447275 0.583634 1 104 63.546 0.00256023 -3.54049 63.546000 Cu 0.357428 0.585551 2.99997e-20 141 63.546 0.00608233 -3.5418 63.546000 Cu 0.366339 0.608228 1 142 63.546 0.00277877 -3.54117 63.546000 Cu 0.40678 0.595862 0.5 143 63.546 0.00389745 -3.54125 63.546000 Cu 0.456218 0.606276 1 145 63.546 0.00129906 -3.54046 63.546000 Cu 0.496804 0.594135 0.5 110 63.546 0.000584274 -3.53982 63.546000 Cu 0.627947 0.580447 1.57498e-16 70 63.546 0.00550562 -3.53661 63.546000 Cu 0.53747 0.582097 6.94642e-17 107 63.546 0.000770648 -3.53872 63.546000 Cu 0.546401 0.60459 1 108 63.546 0.000575028 -3.53952 63.546000 Cu 0.587124 0.592522 0.5 109 63.546 0.00214596 -3.53828 63.546000 Cu 0.636778 0.602783 1 111 63.546 0.00235505 -3.53775 63.546000 Cu 0.595973 0.614938 0.5 114 63.546 0.00114059 -3.53926 63.546000 Cu 0.718365 0.578212 3.59996e-19 73 63.546 0.00659836 -3.53504 63.546000 Cu 0.727077 0.600592 1.64998e-19 74 63.546 0.00233791 -3.53783 63.546000 Cu 0.767729 0.588073 0.5 75 63.546 0.00112925 -3.53942 63.546000 Cu 0.677576 0.590575 0.5 76 63.546 0.00503265 -3.53631 63.546000 Cu 0.817018 0.598073 1.22789e-16 77 63.546 0.00191609 -3.54105 63.546000 Cu 0.776485 0.610584 0.5 80 63.546 0.000553643 -3.53979 63.546000 Cu 0.686331 0.612932 0.5 113 63.546 0.00198038 -3.53809 63.546000 Cu 0.996804 0.594135 4.27945e-17 51 63.546 0.000584274 -3.53982 63.546000 Cu 0.90678 0.595862 3.46946e-17 48 63.546 0.00389745 -3.54125 63.546000 Cu 0.947275 0.583634 0.5 49 63.546 0.00256023 -3.54049 63.546000 Cu 0.857428 0.585551 0.5 50 63.546 0.00608233 -3.5418 63.546000 Cu 0.956218 0.606276 0.5 54 63.546 0.00129906 -3.54046 63.546000 Cu 0.866339 0.608228 0.5 79 63.546 0.00277877 -3.54117 63.546000 Cu 0.0056645 0.616696 1 52 63.546 0.000308679 -3.53985 63.546000 Cu 0.104647 0.637377 6.83392e-17 56 63.546 0.00074705 -3.53914 63.546000 Cu 0.0551552 0.627076 0.5 57 63.546 0.000351868 -3.53957 63.546000 Cu 0.0143676 0.639224 1 85 63.546 0.000215008 -3.53988 63.546000 Cu 0.0637549 0.649553 0.5 87 63.546 0.000315624 -3.53947 63.546000 Cu 0.145499 0.625175 0.5 214 63.546 0.0011298 -3.53906 63.546000 Cu 0.154009 0.647604 0.5 218 63.546 0.000711264 -3.53895 63.546000 Cu 0.285038 0.633092 1 178 63.546 0.000253228 -3.53921 63.546000 Cu 0.235777 0.623011 0.5 180 63.546 0.000932 -3.53857 63.546000 Cu 0.194922 0.635338 1.27709e-16 215 63.546 0.00082695 -3.53864 63.546000 Cu 0.244191 0.64546 0.5 217 63.546 0.000231627 -3.53854 63.546000 Cu 0.325756 0.620663 0.5 179 63.546 0.000915918 -3.54047 63.546000 Cu 0.46498 0.62887 1 146 63.546 0.000644456 -3.54034 63.546000 Cu 0.415623 0.618516 0.5 148 63.546 0.00178497 -3.54085 63.546000 Cu 0.374979 0.630847 1 181 63.546 0.00123792 -3.54099 63.546000 Cu 0.383481 0.653424 1 182 63.546 0.000636713 -3.54118 63.546000 Cu 0.424251 0.641121 0.5 183 63.546 0.000688354 -3.5411 63.546000 Cu 0.334237 0.643224 0.5 184 63.546 0.000387274 -3.54029 63.546000 Cu 0.473561 0.651432 2.45172e-16 185 63.546 0.000350575 -3.54044 63.546000 Cu 0.645499 0.625175 4.27945e-17 112 63.546 0.0011298 -3.53906 63.546000 Cu 0.505665 0.616696 0.5 147 63.546 0.000308679 -3.53985 63.546000 Cu 0.555155 0.627076 2.45262e-16 149 63.546 0.000351868 -3.53957 63.546000 Cu 0.563755 0.649553 4.27945e-17 150 63.546 0.000315624 -3.53947 63.546000 Cu 0.604647 0.637377 0.5 151 63.546 0.00074705 -3.53914 63.546000 Cu 0.514368 0.639224 0.5 152 63.546 0.000215008 -3.53988 63.546000 Cu 0.654009 0.647604 2.45187e-16 153 63.546 0.000711264 -3.53895 63.546000 Cu 0.735777 0.623011 7.77291e-17 115 63.546 0.000932 -3.53857 63.546000 Cu 0.744191 0.64546 1.22489e-16 116 63.546 0.000231627 -3.53854 63.546000 Cu 0.785038 0.633092 0.5 117 63.546 0.000253228 -3.53921 63.546000 Cu 0.694922 0.635338 0.5 118 63.546 0.00082695 -3.53864 63.546000 Cu 0.825756 0.620663 4.49995e-20 78 63.546 0.000915918 -3.54047 63.546000 Cu 0.915623 0.618516 1 81 63.546 0.00178497 -3.54085 63.546000 Cu 0.924251 0.641121 6.28043e-17 82 63.546 0.000688354 -3.5411 63.546000 Cu 0.96498 0.62887 0.5 83 63.546 0.000644456 -3.54034 63.546000 Cu 0.874979 0.630847 0.5 84 63.546 0.00123792 -3.54099 63.546000 Cu 0.973561 0.651432 0.5 88 63.546 0.000350575 -3.54044 63.546000 Cu 0.834237 0.643224 4.27945e-17 119 63.546 0.000387274 -3.54029 63.546000 Cu 0.883481 0.653424 0.5 121 63.546 0.000636713 -3.54118 63.546000 Cu 0.0228089 0.661751 1 86 63.546 0.000228342 -3.54005 63.546000 Cu 0.113007 0.659836 1 89 63.546 0.000411939 -3.53955 63.546000 Cu 0.121021 0.682333 1 90 63.546 0.000209553 -3.53993 63.546000 Cu 0.0719435 0.672063 0.5 91 63.546 0.000175519 -3.54004 63.546000 Cu 0.030841 0.684302 1 127 63.546 4.88484e-05 -3.54022 63.546000 Cu 0.162201 0.670074 0.5 256 63.546 0.00054726 -3.53975 63.546000 Cu 0.203226 0.657786 1 216 63.546 0.000409525 -3.53912 63.546000 Cu 0.293395 0.65559 1 219 63.546 0.00014602 -3.53934 63.546000 Cu 0.301538 0.678081 1 220 63.546 0.000231819 -3.53985 63.546000 Cu 0.252419 0.667925 0.5 222 63.546 0.000120925 -3.53942 63.546000 Cu 0.211299 0.680259 1 257 63.546 0.000229442 -3.53987 63.546000 Cu 0.260376 0.690415 0.5 259 63.546 2.32394e-05 -3.53991 63.546000 Cu 0.481808 0.673989 1.22669e-16 186 63.546 0.000200869 -3.54036 63.546000 Cu 0.432721 0.663694 0.5 188 63.546 0.000520036 -3.54061 63.546000 Cu 0.34259 0.66576 0.5 221 63.546 0.000354265 -3.54029 63.546000 Cu 0.391684 0.675981 4.27945e-17 223 63.546 0.000318919 -3.54037 63.546000 Cu 0.440705 0.686251 0.5 225 63.546 0.000156046 -3.54035 63.546000 Cu 0.350596 0.688285 0.5 226 63.546 0.000233623 -3.54003 63.546000 Cu 0.613007 0.659836 0.5 156 63.546 0.000411939 -3.53955 63.546000 Cu 0.522809 0.661751 0.5 187 63.546 0.000228342 -3.54005 63.546000 Cu 0.571943 0.672063 2.52852e-16 189 63.546 0.000175519 -3.54004 63.546000 Cu 0.621021 0.682333 0.5 191 63.546 0.000209553 -3.53993 63.546000 Cu 0.530841 0.684302 0.5 192 63.546 4.88484e-05 -3.54022 63.546000 Cu 0.662201 0.670074 3.67916e-16 154 63.546 0.00054726 -3.53975 63.546000 Cu 0.793395 0.65559 0.5 122 63.546 0.00014602 -3.53934 63.546000 Cu 0.703226 0.657786 0.5 155 63.546 0.000409525 -3.53912 63.546000 Cu 0.752419 0.667925 3.68006e-16 157 63.546 0.000120925 -3.53942 63.546000 Cu 0.760376 0.690415 1.49998e-19 158 63.546 2.32394e-05 -3.53991 63.546000 Cu 0.801538 0.678081 0.5 159 63.546 0.000231819 -3.53985 63.546000 Cu 0.711299 0.680259 0.5 160 63.546 0.000229442 -3.53987 63.546000 Cu 0.84259 0.66576 2.22868e-16 120 63.546 0.000354265 -3.54029 63.546000 Cu 0.932721 0.663694 0 123 63.546 0.000520036 -3.54061 63.546000 Cu 0.940705 0.686251 1.34999e-19 124 63.546 0.000156046 -3.54035 63.546000 Cu 0.981808 0.673989 0.5 125 63.546 0.000200869 -3.54036 63.546000 Cu 0.891684 0.675981 0.5 126 63.546 0.000318919 -3.54037 63.546000 Cu 0.850596 0.688285 1 161 63.546 0.000233623 -3.54003 63.546000 Cu 0.0387488 0.706844 1.74688e-16 128 63.546 5.63717e-05 -3.54031 63.546000 Cu 0.0798699 0.694586 0.5 129 63.546 8.98277e-05 -3.53985 63.546000 Cu 0.128965 0.704839 2.04238e-16 131 63.546 0.000162119 -3.53967 63.546000 Cu 0.136896 0.727337 4.27945e-17 132 63.546 6.37252e-05 -3.5394 63.546000 Cu 0.0878141 0.717103 0.5 133 63.546 6.17869e-05 -3.53962 63.546000 Cu 0.0466831 0.729368 1.38073e-16 169 63.546 4.39791e-05 -3.54005 63.546000 Cu 0.219222 0.702747 1 258 63.546 0.000110706 -3.53966 63.546000 Cu 0.170109 0.692555 0.5 260 63.546 0.000189442 -3.53995 63.546000 Cu 0.309412 0.70059 2.71947e-17 261 63.546 0.000238659 -3.53999 63.546000 Cu 0.317305 0.723119 4.27945e-17 262 63.546 0.000157678 -3.53986 63.546000 Cu 0.268243 0.712916 0.5 264 63.546 6.30867e-05 -3.53982 63.546000 Cu 0.178026 0.715048 0.5 296 63.546 8.80673e-05 -3.53948 63.546000 Cu 0.227116 0.725249 1 297 63.546 5.74882e-05 -3.53981 63.546000 Cu 0.399561 0.698533 4.49995e-20 224 63.546 9.38088e-05 -3.53987 63.546000 Cu 0.448531 0.708805 0.5 230 63.546 0.000118969 -3.54029 63.546000 Cu 0.358415 0.710824 0.5 263 63.546 9.7831e-05 -3.53992 63.546000 Cu 0.407431 0.72108 1 265 63.546 9.66804e-05 -3.5401 63.546000 Cu 0.489705 0.696554 1 227 63.546 1.6622e-05 -3.54059 63.546000 Cu 0.497575 0.7191 1.16219e-16 228 63.546 8.7435e-05 -3.5405 63.546000 Cu 0.57987 0.694586 1.19999e-19 190 63.546 8.98277e-05 -3.53985 63.546000 Cu 0.628965 0.704839 0.5 196 63.546 0.000162119 -3.53967 63.546000 Cu 0.538749 0.706844 0.5 229 63.546 5.63717e-05 -3.54031 63.546000 Cu 0.587814 0.717103 1.04999e-19 231 63.546 6.17869e-05 -3.53962 63.546000 Cu 0.636896 0.727337 0.5 233 63.546 6.37252e-05 -3.5394 63.546000 Cu 0.546683 0.729368 0.5 234 63.546 4.39791e-05 -3.54005 63.546000 Cu 0.809412 0.70059 0.5 164 63.546 0.000238659 -3.53999 63.546000 Cu 0.670109 0.692555 1.64998e-19 193 63.546 0.000189442 -3.53995 63.546000 Cu 0.678026 0.715048 4.27945e-17 194 63.546 8.80673e-05 -3.53948 63.546000 Cu 0.719222 0.702747 0.5 195 63.546 0.000110706 -3.53966 63.546000 Cu 0.768243 0.712916 1 197 63.546 6.30867e-05 -3.53982 63.546000 Cu 0.817305 0.723119 0.5 199 63.546 0.000157678 -3.53986 63.546000 Cu 0.727116 0.725249 0.5 200 63.546 5.74882e-05 -3.53981 63.546000 Cu 0.989705 0.696554 0.5 130 63.546 1.6622e-05 -3.54059 63.546000 Cu 0.997575 0.7191 0.5 167 63.546 8.7435e-05 -3.5405 63.546000 Cu 0.858415 0.710824 1 162 63.546 9.7831e-05 -3.53992 63.546000 Cu 0.899561 0.698533 0.5 163 63.546 9.38088e-05 -3.53987 63.546000 Cu 0.948531 0.708805 1 165 63.546 0.000118969 -3.54029 63.546000 Cu 0.907431 0.72108 0.5 168 63.546 9.66804e-05 -3.5401 63.546000 Cu 0.0546443 0.751915 1 170 63.546 9.28757e-05 -3.54017 63.546000 Cu 0.095768 0.739623 0.5 171 63.546 5.2584e-05 -3.54016 63.546000 Cu 0.00560921 0.741649 0.5 172 63.546 9.5459e-05 -3.53989 63.546000 Cu 0.10364 0.762171 0.5 173 63.546 0.000116448 -3.54048 63.546000 Cu 0.0134716 0.764195 0.5 207 63.546 0.000112006 -3.54026 63.546000 Cu 0.144837 0.74986 2.73597e-17 336 63.546 9.84661e-05 -3.54009 63.546000 Cu 0.234999 0.747755 1 298 63.546 2.06617e-05 -3.53967 63.546000 Cu 0.276185 0.735431 0.5 299 63.546 8.25858e-05 -3.53992 63.546000 Cu 0.185955 0.737551 0.5 300 63.546 4.63284e-05 -3.53962 63.546000 Cu 0.284009 0.757951 0.5 304 63.546 8.47237e-05 -3.53964 63.546000 Cu 0.193843 0.760077 0.5 338 63.546 0.000112444 -3.53983 63.546000 Cu 0.325209 0.745639 2.40327e-16 301 63.546 0.000227082 -3.53978 63.546000 Cu 0.332979 0.768166 1 302 63.546 0.000197922 -3.53988 63.546000 Cu 0.415435 0.743627 1 266 63.546 9.83976e-05 -3.54 63.546000 Cu 0.456534 0.731362 0.5 267 63.546 1.80905e-05 -3.54026 63.546000 Cu 0.366366 0.733364 0.5 268 63.546 9.55931e-05 -3.53982 63.546000 Cu 0.464442 0.753906 0.5 272 63.546 2.8744e-05 -3.54012 63.546000 Cu 0.374199 0.755885 0.5 303 63.546 0.000144535 -3.5398 63.546000 Cu 0.423223 0.766161 8.9999e-20 305 63.546 4.29017e-05 -3.54034 63.546000 Cu 0.595768 0.739623 1 232 63.546 5.2584e-05 -3.54016 63.546000 Cu 0.644837 0.74986 0.5 238 63.546 9.84661e-05 -3.54009 63.546000 Cu 0.505609 0.741649 1 269 63.546 9.5459e-05 -3.53989 63.546000 Cu 0.513472 0.764195 4.27945e-17 270 63.546 0.000112006 -3.54026 63.546000 Cu 0.554644 0.751915 0.5 271 63.546 9.28757e-05 -3.54017 63.546000 Cu 0.60364 0.762171 1.93753e-16 273 63.546 0.000116448 -3.54048 63.546000 Cu 0.776185 0.735431 1 198 63.546 8.25858e-05 -3.53992 63.546000 Cu 0.685955 0.737551 6.14243e-17 235 63.546 4.63284e-05 -3.53962 63.546000 Cu 0.693843 0.760077 1.49998e-20 236 63.546 0.000112444 -3.53983 63.546000 Cu 0.734999 0.747755 0.5 237 63.546 2.06617e-05 -3.53967 63.546000 Cu 0.784009 0.757951 2.16598e-16 239 63.546 8.47237e-05 -3.53964 63.546000 Cu 0.825209 0.745639 0.5 204 63.546 0.000227082 -3.53978 63.546000 Cu 0.832979 0.768166 0.5 241 63.546 0.000197922 -3.53988 63.546000 Cu 0.956534 0.731362 1.22759e-16 166 63.546 1.80905e-05 -3.54026 63.546000 Cu 0.866366 0.733364 4.41445e-17 201 63.546 9.55931e-05 -3.53982 63.546000 Cu 0.874199 0.755885 3.29996e-19 202 63.546 0.000144535 -3.5398 63.546000 Cu 0.915435 0.743627 0.5 203 63.546 9.83976e-05 -3.54 63.546000 Cu 0.964442 0.753906 2.54997e-19 205 63.546 2.8744e-05 -3.54012 63.546000 Cu 0.923223 0.766161 0.5 208 63.546 4.29017e-05 -3.54034 63.546000 Cu 0.0624204 0.774475 2.82297e-17 209 63.546 0.000130722 -3.54076 63.546000 Cu 0.0701998 0.797063 1 210 63.546 0.000538732 -3.54036 63.546000 Cu 0.111331 0.784745 0.5 211 63.546 0.000294061 -3.54072 63.546000 Cu 0.0211715 0.786758 0.5 212 63.546 0.000215693 -3.54035 63.546000 Cu 0.119244 0.80733 0.5 213 63.546 0.000604154 -3.54023 63.546000 Cu 0.152583 0.772405 1 337 63.546 7.45839e-05 -3.54043 63.546000 Cu 0.160267 0.794968 1 378 63.546 0.000311365 -3.54028 63.546000 Cu 0.242772 0.770276 2.66697e-17 339 63.546 4.14702e-05 -3.53935 63.546000 Cu 0.250415 0.792787 1 340 63.546 0.000367781 -3.53937 63.546000 Cu 0.291669 0.780467 0.5 341 63.546 0.000214719 -3.53947 63.546000 Cu 0.201454 0.782619 0.5 342 63.546 0.000162167 -3.53985 63.546000 Cu 0.299541 0.802961 0.5 346 63.546 0.000499214 -3.53913 63.546000 Cu 0.209322 0.805155 0.5 380 63.546 0.000199823 -3.53978 63.546000 Cu 0.430949 0.788699 1 306 63.546 0.000160891 -3.54004 63.546000 Cu 0.472205 0.776456 0.5 307 63.546 2.17864e-05 -3.54032 63.546000 Cu 0.38194 0.778414 0.5 308 63.546 0.000174783 -3.54031 63.546000 Cu 0.480043 0.799 0.5 312 63.546 0.000123515 -3.53971 63.546000 Cu 0.340674 0.790683 1.70428e-16 343 63.546 0.000396173 -3.53981 63.546000 Cu 0.389813 0.800935 0.5 345 63.546 0.000246232 -3.53994 63.546000 Cu 0.611331 0.784745 2.46702e-16 274 63.546 0.000294061 -3.54072 63.546000 Cu 0.652583 0.772405 0.5 275 63.546 7.45839e-05 -3.54043 63.546000 Cu 0.56242 0.774475 0.5 276 63.546 0.000130722 -3.54076 63.546000 Cu 0.521171 0.786758 2.35347e-17 309 63.546 0.000215693 -3.54035 63.546000 Cu 0.5702 0.797063 0.5 311 63.546 0.000538732 -3.54036 63.546000 Cu 0.619244 0.80733 1 313 63.546 0.000604154 -3.54023 63.546000 Cu 0.660267 0.794968 0.5 280 63.546 0.000311365 -3.54028 63.546000 Cu 0.791669 0.780467 1.64143e-16 240 63.546 0.000214719 -3.53947 63.546000 Cu 0.742772 0.770276 0.5 242 63.546 4.14702e-05 -3.53935 63.546000 Cu 0.701454 0.782619 2.15578e-16 277 63.546 0.000162167 -3.53985 63.546000 Cu 0.709322 0.805155 1.34999e-19 278 63.546 0.000199823 -3.53978 63.546000 Cu 0.750415 0.792787 0.5 279 63.546 0.000367781 -3.53937 63.546000 Cu 0.799541 0.802961 1.45828e-16 281 63.546 0.000499214 -3.53913 63.546000 Cu 0.972205 0.776456 1.22759e-16 206 63.546 2.17864e-05 -3.54032 63.546000 Cu 0.88194 0.778414 1 243 63.546 0.000174783 -3.54031 63.546000 Cu 0.889813 0.800935 1.22444e-16 244 63.546 0.000246232 -3.53994 63.546000 Cu 0.930949 0.788699 0.5 245 63.546 0.000160891 -3.54004 63.546000 Cu 0.840674 0.790683 0.5 246 63.546 0.000396173 -3.53981 63.546000 Cu 0.980043 0.799 1 247 63.546 0.000123515 -3.53971 63.546000 Cu 0.029178 0.809323 0.5 249 63.546 0.000171784 -3.54008 63.546000 Cu 0.0782887 0.819652 1.58263e-16 251 63.546 0.000731048 -3.54045 63.546000 Cu 0.0864966 0.842284 1.08299e-17 252 63.546 0.00165718 -3.54123 63.546000 Cu 0.127376 0.829922 0.5 253 63.546 0.00103597 -3.54056 63.546000 Cu 0.0373815 0.83193 0.5 254 63.546 0.00056757 -3.54104 63.546000 Cu 0.168315 0.817535 1 379 63.546 0.000433938 -3.54 63.546000 Cu 0.258461 0.815278 1 381 63.546 0.000463547 -3.53906 63.546000 Cu 0.26658 0.837754 8.38491e-17 382 63.546 0.000974493 -3.53879 63.546000 Cu 0.30763 0.825428 0.5 383 63.546 0.0010276 -3.53916 63.546000 Cu 0.217409 0.827664 0.5 384 63.546 0.000173419 -3.53924 63.546000 Cu 0.176476 0.840102 1 416 63.546 0.000695593 -3.54026 63.546000 Cu 0.348744 0.813173 1.24484e-16 344 63.546 0.000449995 -3.53939 63.546000 Cu 0.439016 0.811232 1.15889e-16 347 63.546 7.5986e-05 -3.53991 63.546000 Cu 0.447219 0.83376 1 348 63.546 0.000243264 -3.53956 63.546000 Cu 0.397974 0.823441 0.5 350 63.546 0.00025233 -3.53929 63.546000 Cu 0.356888 0.835633 7.75491e-17 385 63.546 0.000999418 -3.53877 63.546000 Cu 0.488201 0.821559 0.5 349 63.546 0.000120555 -3.54042 63.546000 Cu 0.496454 0.844145 0.5 354 63.546 0.000461091 -3.54063 63.546000 Cu 0.406149 0.845907 0.5 387 63.546 0.000828876 -3.53874 63.546000 Cu 0.529178 0.809323 1 310 63.546 0.000171784 -3.54008 63.546000 Cu 0.627376 0.829922 1.25459e-16 314 63.546 0.00103597 -3.54056 63.546000 Cu 0.578289 0.819652 0.5 316 63.546 0.000731048 -3.54045 63.546000 Cu 0.537381 0.83193 1 351 63.546 0.00056757 -3.54104 63.546000 Cu 0.586497 0.842284 0.5 353 63.546 0.00165718 -3.54123 63.546000 Cu 0.80763 0.825428 8.53041e-17 282 63.546 0.0010276 -3.53916 63.546000 Cu 0.758461 0.815278 0.5 284 63.546 0.000463547 -3.53906 63.546000 Cu 0.668315 0.817535 0.5 315 63.546 0.000433938 -3.54 63.546000 Cu 0.717409 0.827664 1 317 63.546 0.000173419 -3.53924 63.546000 Cu 0.76658 0.837754 0.5 319 63.546 0.000974493 -3.53879 63.546000 Cu 0.676476 0.840102 0.5 320 63.546 0.000695593 -3.54026 63.546000 Cu 0.988201 0.821559 1 248 63.546 0.000120555 -3.54042 63.546000 Cu 0.996454 0.844145 1 289 63.546 0.000461091 -3.54063 63.546000 Cu 0.939016 0.811232 0.5 250 63.546 7.5986e-05 -3.53991 63.546000 Cu 0.848744 0.813173 0.5 283 63.546 0.000449995 -3.53939 63.546000 Cu 0.897974 0.823441 1 285 63.546 0.00025233 -3.53929 63.546000 Cu 0.947219 0.83376 0.5 287 63.546 0.000243264 -3.53956 63.546000 Cu 0.856888 0.835633 0.5 288 63.546 0.000999418 -3.53877 63.546000 Cu 0.906149 0.845907 2.45412e-16 286 63.546 0.000828876 -3.53874 63.546000 Cu 0.135535 0.852554 0.5 255 63.546 0.0021363 -3.54122 63.546000 Cu 0.00458363 0.866744 1 290 63.546 0.000926308 -3.5401 63.546000 Cu 0.0455855 0.854577 0.5 291 63.546 0.00185799 -3.54101 63.546000 Cu 0.0946073 0.864966 3.03462e-16 293 63.546 0.00383697 -3.54148 63.546000 Cu 0.053665 0.877258 0.5 295 63.546 0.00392997 -3.54073 63.546000 Cu 0.143527 0.875249 0.5 446 63.546 0.0047355 -3.54126 63.546000 Cu 0.315758 0.847874 0.5 388 63.546 0.00185656 -3.53809 63.546000 Cu 0.184471 0.862699 1 417 63.546 0.00129516 -3.54023 63.546000 Cu 0.225532 0.850177 0.5 418 63.546 0.000493052 -3.53926 63.546000 Cu 0.274571 0.860206 2.99997e-20 419 63.546 0.00238348 -3.53767 63.546000 Cu 0.282321 0.882619 1 420 63.546 0.00669833 -3.53564 63.546000 Cu 0.233354 0.872705 0.5 422 63.546 0.00126323 -3.53904 63.546000 Cu 0.323675 0.870265 0.5 421 63.546 0.00456947 -3.53647 63.546000 Cu 0.364954 0.858058 2.86302e-16 386 63.546 0.00220584 -3.5377 63.546000 Cu 0.455385 0.85628 1 389 63.546 0.00045878 -3.53964 63.546000 Cu 0.463435 0.878798 3.35741e-16 390 63.546 0.000718321 -3.53936 63.546000 Cu 0.414191 0.868354 0.5 392 63.546 0.00175091 -3.5386 63.546000 Cu 0.372883 0.880431 1.22654e-16 423 63.546 0.00507546 -3.53724 63.546000 Cu 0.545586 0.854577 1 352 63.546 0.00185799 -3.54101 63.546000 Cu 0.635535 0.852554 4.27945e-17 355 63.546 0.0021363 -3.54122 63.546000 Cu 0.643527 0.875249 4.27945e-17 356 63.546 0.0047355 -3.54126 63.546000 Cu 0.594607 0.864966 0.5 358 63.546 0.00383697 -3.54148 63.546000 Cu 0.504584 0.866744 0.5 391 63.546 0.000926308 -3.5401 63.546000 Cu 0.553665 0.877258 4.2481e-16 393 63.546 0.00392997 -3.54073 63.546000 Cu 0.725532 0.850177 9.0464e-17 318 63.546 0.000493052 -3.53926 63.546000 Cu 0.815758 0.847874 1 321 63.546 0.00185656 -3.53809 63.546000 Cu 0.774571 0.860206 0.5 324 63.546 0.00238348 -3.53767 63.546000 Cu 0.684471 0.862699 0.5 357 63.546 0.00129516 -3.54023 63.546000 Cu 0.733354 0.872705 4.27945e-17 359 63.546 0.00126323 -3.53904 63.546000 Cu 0.782321 0.882619 0.5 361 63.546 0.00669833 -3.53564 63.546000 Cu 0.823675 0.870265 1 322 63.546 0.00456947 -3.53647 63.546000 Cu 0.955385 0.85628 0.5 292 63.546 0.00045878 -3.53964 63.546000 Cu 0.864954 0.858058 0.5 323 63.546 0.00220584 -3.5377 63.546000 Cu 0.914191 0.868354 1 325 63.546 0.00175091 -3.5386 63.546000 Cu 0.963435 0.878798 0.5 327 63.546 0.000718321 -3.53936 63.546000 Cu 0.872883 0.880431 0.5 328 63.546 0.00507546 -3.53724 63.546000 Cu 0.102643 0.887727 1.91398e-17 294 63.546 0.00878441 -3.54127 63.546000 Cu 0.0126058 0.889363 1 329 63.546 0.00139828 -3.53974 63.546000 Cu 0.0207614 0.912031 1 330 63.546 0.00257928 -3.53901 63.546000 Cu 0.0617287 0.899991 0.5 331 63.546 0.00637698 -3.54021 63.546000 Cu 0.110748 0.910592 4.27945e-17 333 63.546 0.0163794 -3.54058 63.546000 Cu 0.0700592 0.922826 0.5 335 63.546 0.00991892 -3.53787 63.546000 Cu 0.151452 0.898055 0.5 450 63.546 0.0115125 -3.54175 63.546000 Cu 0.159568 0.921044 0.5 470 63.546 0.0292938 -3.53921 63.546000 Cu 0.192334 0.885359 5.99993e-20 447 63.546 0.00307076 -3.54071 63.546000 Cu 0.200185 0.908153 1 448 63.546 0.0105364 -3.54093 63.546000 Cu 0.241095 0.895278 0.5 449 63.546 0.00334571 -3.53919 63.546000 Cu 0.290032 0.904968 1 451 63.546 0.0224904 -3.53035 63.546000 Cu 0.248773 0.917935 0.5 454 63.546 0.0121298 -3.53851 63.546000 Cu 0.331461 0.892588 0.5 426 63.546 0.0125641 -3.53407 63.546000 Cu 0.380795 0.902754 1.22354e-16 424 63.546 0.0100748 -3.53526 63.546000 Cu 0.422158 0.890785 0.5 425 63.546 0.00284614 -3.53833 63.546000 Cu 0.471446 0.901327 1.22384e-16 427 63.546 0.00123496 -3.53888 63.546000 Cu 0.430224 0.913191 0.5 430 63.546 0.00461099 -3.53697 63.546000 Cu 0.339314 0.914804 0.5 453 63.546 0.036118 -3.52746 63.546000 Cu 0.561729 0.899991 4.27945e-17 394 63.546 0.00637698 -3.54021 63.546000 Cu 0.602643 0.887727 0.5 395 63.546 0.00878441 -3.54127 63.546000 Cu 0.512606 0.889363 0.5 396 63.546 0.00139828 -3.53974 63.546000 Cu 0.651452 0.898055 3.97946e-17 397 63.546 0.0115125 -3.54175 63.546000 Cu 0.610748 0.910592 0.5 400 63.546 0.0163794 -3.54058 63.546000 Cu 0.520761 0.912031 0.5 429 63.546 0.00257928 -3.53901 63.546000 Cu 0.570059 0.922826 2.34702e-16 431 63.546 0.00991892 -3.53787 63.546000 Cu 0.659568 0.921044 1 398 63.546 0.0292938 -3.53921 63.546000 Cu 0.741095 0.895278 1 360 63.546 0.00334571 -3.53919 63.546000 Cu 0.692334 0.885359 0.5 362 63.546 0.00307076 -3.54071 63.546000 Cu 0.790032 0.904968 0.5 366 63.546 0.0224904 -3.53035 63.546000 Cu 0.700185 0.908153 0.5 399 63.546 0.0105364 -3.54093 63.546000 Cu 0.748773 0.917935 1 401 63.546 0.0121298 -3.53851 63.546000 Cu 0.831461 0.892588 1 363 63.546 0.0125641 -3.53407 63.546000 Cu 0.922158 0.890785 1 326 63.546 0.00284614 -3.53833 63.546000 Cu 0.971446 0.901327 0.5 332 63.546 0.00123496 -3.53888 63.546000 Cu 0.839314 0.914804 1 364 63.546 0.036118 -3.52746 63.546000 Cu 0.880795 0.902754 0.5 365 63.546 0.0100748 -3.53526 63.546000 Cu 0.930224 0.913191 1 367 63.546 0.00461099 -3.53697 63.546000 Cu 0.11914 0.933632 1 334 63.546 0.0296509 -3.5363 63.546000 Cu 0.0292923 0.934771 1 371 63.546 0.0041148 -3.53687 63.546000 Cu 0.0377916 0.957627 1.49998e-19 372 63.546 0.0156186 -3.53345 63.546000 Cu 0.0786741 0.945823 0.5 373 63.546 0.0147555 -3.532 63.546000 Cu 0.127914 0.957035 4.27945e-17 375 63.546 0.0658426 -3.5259 63.546000 Cu 0.29769 0.927189 1 452 63.546 0.0908751 -3.51765 63.546000 Cu 0.208121 0.931159 1 471 63.546 0.0370405 -3.53586 63.546000 Cu 0.216346 0.954689 1.69423e-16 472 63.546 0.216573 -3.52011 63.546000 Cu 0.256105 0.940878 0.5 473 63.546 0.0876186 -3.53064 63.546000 Cu 0.16775 0.944358 0.5 474 63.546 0.072787 -3.52997 63.546000 Cu 0.305277 0.949144 3.33221e-16 475 63.546 0.522559 -3.47551 63.546000 Cu 0.479764 0.923879 3.67556e-16 428 63.546 0.00214469 -3.5382 63.546000 Cu 0.388877 0.924989 4.27945e-17 455 63.546 0.0198148 -3.53254 63.546000 Cu 0.397461 0.947136 4.9048e-16 456 63.546 0.0343775 -3.53168 63.546000 Cu 0.438622 0.935573 0.5 457 63.546 0.00645429 -3.53645 63.546000 Cu 0.347243 0.936834 0.5 458 63.546 0.117681 -3.5195 63.546000 Cu 0.447115 0.957996 0.5 462 63.546 0.0177589 -3.53675 63.546000 Cu 0.355872 0.958596 0.5 477 63.546 0.472583 -3.49389 63.546000 Cu 0.488401 0.946494 1.22324e-16 459 63.546 0.00450896 -3.53688 63.546000 Cu 0.578674 0.945823 3.67286e-16 432 63.546 0.0147555 -3.532 63.546000 Cu 0.61914 0.933632 0.5 433 63.546 0.0296509 -3.5363 63.546000 Cu 0.529292 0.934771 0.5 434 63.546 0.0041148 -3.53687 63.546000 Cu 0.627914 0.957035 0.5 438 63.546 0.0658426 -3.5259 63.546000 Cu 0.537792 0.957627 0.5 461 63.546 0.0156186 -3.53345 63.546000 Cu 0.756105 0.940878 1 402 63.546 0.0876186 -3.53064 63.546000 Cu 0.79769 0.927189 0.5 403 63.546 0.0908751 -3.51765 63.546000 Cu 0.708121 0.931159 0.5 404 63.546 0.0370405 -3.53586 63.546000 Cu 0.805277 0.949144 0.5 408 63.546 0.522559 -3.47551 63.546000 Cu 0.66775 0.944358 3.68156e-16 435 63.546 0.072787 -3.52997 63.546000 Cu 0.716346 0.954689 0.5 437 63.546 0.216573 -3.52011 63.546000 Cu 0.988401 0.946494 0.5 374 63.546 0.00450896 -3.53688 63.546000 Cu 0.938622 0.935573 1 368 63.546 0.00645429 -3.53645 63.546000 Cu 0.979764 0.923879 0.5 369 63.546 0.00214469 -3.5382 63.546000 Cu 0.888877 0.924989 0.5 370 63.546 0.0198148 -3.53254 63.546000 Cu 0.847243 0.936834 1 405 63.546 0.117681 -3.5195 63.546000 Cu 0.855872 0.958596 1 406 63.546 0.472583 -3.49389 63.546000 Cu 0.897461 0.947136 0.5 407 63.546 0.0343775 -3.53168 63.546000 Cu 0.947115 0.957996 1 409 63.546 0.0177589 -3.53675 63.546000 Cu 0.13476 0.980412 4.27945e-17 376 63.546 0.273334 -3.51436 63.546000 Cu 0.0864301 0.968951 0.5 377 63.546 0.0572356 -3.52475 63.546000 Cu 0.0428713 0.980469 5.99993e-20 413 63.546 0.109542 -3.54138 63.546000 Cu 0.0867015 0.991938 0.5 414 63.546 0.0594101 -3.52446 63.546000 Cu 0.314838 0.970265 2.53752e-16 476 63.546 7.51438 -3.27145 63.546000 Cu 0.262508 0.964898 0.5 478 63.546 5.76745 -3.46647 63.546000 Cu 0.176618 0.968506 0.5 484 63.546 0.330017 -3.49577 63.546000 Cu 0.228976 0.980398 2.28297e-17 485 63.546 4.53945 -3.57449 63.546000 Cu 0.262729 0.99584 0.5 487 63.546 5.75966 -3.46466 63.546000 Cu 0.176848 0.992289 0.5 488 63.546 0.338014 -3.49405 63.546000 Cu 0.315341 0.99075 2.69622e-16 489 63.546 7.5104 -3.26403 63.546000 Cu 0.405457 0.969337 3.26741e-16 479 63.546 0.0879429 -3.53247 63.546000 Cu 0.40578 0.99167 1.33784e-16 480 63.546 0.0947259 -3.5325 63.546000 Cu 0.45177 0.980507 0.5 481 63.546 0.0760851 -3.54351 63.546000 Cu 0.361245 0.980489 0.5 482 63.546 3.201 -3.48145 63.546000 Cu 0.495808 0.969178 4.27945e-17 460 63.546 0.0529129 -3.53686 63.546000 Cu 0.496113 0.99182 1.19999e-19 483 63.546 0.0583746 -3.53682 63.546000 Cu 0.58643 0.968951 3.68006e-16 463 63.546 0.0572356 -3.52475 63.546000 Cu 0.586702 0.991938 2.45307e-16 464 63.546 0.0594101 -3.52446 63.546000 Cu 0.63476 0.980412 0.5 465 63.546 0.273334 -3.51436 63.546000 Cu 0.542871 0.980469 0.5 466 63.546 0.109542 -3.54138 63.546000 Cu 0.676618 0.968506 7.19992e-19 436 63.546 0.330017 -3.49577 63.546000 Cu 0.762508 0.964898 1 439 63.546 5.76745 -3.46647 63.546000 Cu 0.762729 0.99584 1 440 63.546 5.75966 -3.46466 63.546000 Cu 0.814838 0.970265 0.5 441 63.546 7.51438 -3.27145 63.546000 Cu 0.728976 0.980398 0.5 442 63.546 4.53945 -3.57449 63.546000 Cu 0.676848 0.992289 4.27945e-17 467 63.546 0.338014 -3.49405 63.546000 Cu 0.815341 0.99075 0.5 445 63.546 7.5104 -3.26403 63.546000 Cu 0.995808 0.969178 0.5 411 63.546 0.0529129 -3.53686 63.546000 Cu 0.996113 0.99182 0.5 415 63.546 0.0583746 -3.53682 63.546000 Cu 0.95177 0.980507 1 410 63.546 0.0760851 -3.54351 63.546000 Cu 0.905457 0.969337 0.5 412 63.546 0.0879429 -3.53247 63.546000 Cu 0.861245 0.980489 1 443 63.546 3.201 -3.48145 63.546000 Cu 0.90578 0.99167 0.5 444 63.546 0.0947259 -3.5325