Number of particles = 974 A = 1 Angstrom (basic length-scale) H0(1,1) = 28.192 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 112.943 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.62016 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 0.083331 0.00462137 6.12157e-17 502 63.546 0.0574644 -3.52555 63.546000 Cu 0.0340075 0.0158142 0.5 503 63.546 0.0109528 -3.53188 63.546000 Cu 0.0745889 0.0278009 3.27043e-17 515 63.546 0.0309261 -3.53639 63.546000 Cu 0.123487 0.0169939 0.5 517 63.546 0.0977474 -3.5315 63.546000 Cu 0.163609 0.0301 1 516 63.546 0.0582806 -3.53743 63.546000 Cu 0.172243 0.00669171 1.00389e-16 519 63.546 0.265594 -3.51096 63.546000 Cu 0.260524 0.0125735 1 520 63.546 0.52137 -3.46687 63.546000 Cu 0.211506 0.0205555 0.5 521 63.546 0.0873174 -3.51752 63.546000 Cu 0.310827 0.00318447 0.5 522 63.546 0.423285 -3.50147 63.546000 Cu 0.302268 0.0248166 0.5 543 63.546 0.136381 -3.52288 63.546000 Cu 0.352353 0.0145722 1 545 63.546 0.0295884 -3.53455 63.546000 Cu 0.402095 0.00383881 0.5 547 63.546 0.021465 -3.5363 63.546000 Cu 0.39372 0.0260971 0.5 548 63.546 0.00664918 -3.53717 63.546000 Cu 0.443493 0.0152558 2.49415e-16 546 63.546 0.00472452 -3.53576 63.546000 Cu 0.492903 0.00418417 0.5 549 63.546 0.0167408 -3.53369 63.546000 Cu 0.484528 0.0268584 0.5 577 63.546 0.00302618 -3.53574 63.546000 Cu 0.534007 0.0158142 1 579 63.546 0.0109528 -3.53188 63.546000 Cu 0.583331 0.00462137 0.5 581 63.546 0.0574644 -3.52555 63.546000 Cu 0.574589 0.0278009 0.5 582 63.546 0.0309261 -3.53639 63.546000 Cu 0.623487 0.0169939 1 580 63.546 0.0977474 -3.5315 63.546000 Cu 0.672243 0.00669171 0.5 583 63.546 0.265594 -3.51096 63.546000 Cu 0.663609 0.0301 0.5 619 63.546 0.0582806 -3.53743 63.546000 Cu 0.711506 0.0205555 1.22671e-16 621 63.546 0.0873174 -3.51752 63.546000 Cu 0.810827 0.00318447 4.34859e-17 491 63.546 0.423285 -3.50147 63.546000 Cu 0.852353 0.0145722 0.5 493 63.546 0.0295884 -3.53455 63.546000 Cu 0.802268 0.0248166 1.8197e-16 622 63.546 0.136381 -3.52288 63.546000 Cu 0.760524 0.0125735 0.5 623 63.546 0.52137 -3.46687 63.546000 Cu 0.902095 0.00383881 6.08563e-17 492 63.546 0.021465 -3.5363 63.546000 Cu 0.89372 0.0260971 5.07935e-17 497 63.546 0.00664918 -3.53717 63.546000 Cu 0.984528 0.0268584 1.92512e-16 498 63.546 0.00302618 -3.53574 63.546000 Cu 0.943493 0.0152558 0.5 499 63.546 0.00472452 -3.53576 63.546000 Cu 0.992903 0.00418417 3.76159e-17 501 63.546 0.0167408 -3.53369 63.546000 Cu 0.0659994 0.0508022 7.17578e-17 512 63.546 0.0163068 -3.5399 63.546000 Cu 0.0253388 0.038673 0.5 513 63.546 0.00847377 -3.53731 63.546000 Cu 0.0168036 0.0614543 0.5 514 63.546 0.00528419 -3.53946 63.546000 Cu 0.114954 0.0402636 0.5 518 63.546 0.0382813 -3.53999 63.546000 Cu 0.106564 0.0632545 0.5 535 63.546 0.015427 -3.54104 63.546000 Cu 0.252721 0.0342698 1 541 63.546 0.0922932 -3.51623 63.546000 Cu 0.155372 0.053109 1 537 63.546 0.017925 -3.54021 63.546000 Cu 0.244935 0.0564178 5.57051e-17 538 63.546 0.0224726 -3.53201 63.546000 Cu 0.203924 0.0433743 0.5 539 63.546 0.0150977 -3.53471 63.546000 Cu 0.195997 0.066026 0.5 540 63.546 0.00404131 -3.53823 63.546000 Cu 0.294265 0.0467354 0.5 544 63.546 0.0483468 -3.53073 63.546000 Cu 0.343932 0.0366199 3.00688e-17 542 63.546 0.0246193 -3.53515 63.546000 Cu 0.335692 0.0587769 1 571 63.546 0.0146628 -3.53615 63.546000 Cu 0.426468 0.060178 2.27612e-17 572 63.546 0.00144958 -3.53837 63.546000 Cu 0.385279 0.0483749 0.5 573 63.546 0.00543396 -3.53734 63.546000 Cu 0.434927 0.0377201 3.07157e-16 575 63.546 0.00224307 -3.53724 63.546000 Cu 0.525339 0.038673 1 576 63.546 0.00847377 -3.53731 63.546000 Cu 0.47593 0.0494864 0.5 578 63.546 0.00227238 -3.53807 63.546000 Cu 0.516804 0.0614543 1.46151e-16 613 63.546 0.00528419 -3.53946 63.546000 Cu 0.565999 0.0508022 0.5 615 63.546 0.0163068 -3.5399 63.546000 Cu 0.606564 0.0632545 1 614 63.546 0.015427 -3.54104 63.546000 Cu 0.614954 0.0402636 2.47618e-16 617 63.546 0.0382813 -3.53999 63.546000 Cu 0.703924 0.0433743 2.39592e-19 618 63.546 0.0150977 -3.53471 63.546000 Cu 0.655372 0.053109 0.5 620 63.546 0.017925 -3.54021 63.546000 Cu 0.695997 0.066026 0 661 63.546 0.00404131 -3.53823 63.546000 Cu 0.752721 0.0342698 0.5 624 63.546 0.0922932 -3.51623 63.546000 Cu 0.843932 0.0366199 0.5 495 63.546 0.0246193 -3.53515 63.546000 Cu 0.835692 0.0587769 0.5 496 63.546 0.0146628 -3.53615 63.546000 Cu 0.744935 0.0564178 0.5 663 63.546 0.0224726 -3.53201 63.546000 Cu 0.794265 0.0467354 1 665 63.546 0.0483468 -3.53073 63.546000 Cu 0.885279 0.0483749 3.59388e-19 494 63.546 0.00543396 -3.53734 63.546000 Cu 0.934927 0.0377201 0.5 500 63.546 0.00224307 -3.53724 63.546000 Cu 0.926468 0.060178 0.5 509 63.546 0.00144958 -3.53837 63.546000 Cu 0.97593 0.0494864 1 511 63.546 0.00227238 -3.53807 63.546000 Cu 0.0491149 0.0964049 3.00688e-17 530 63.546 0.00392413 -3.54058 63.546000 Cu 0.0575469 0.0736558 1.18957e-16 533 63.546 0.0082446 -3.54063 63.546000 Cu 0.0981956 0.0860792 0.5 536 63.546 0.00600715 -3.5409 63.546000 Cu 0.138895 0.0986193 1.6412e-16 563 63.546 0.00203316 -3.54037 63.546000 Cu 0.00835424 0.0841639 0.5 531 63.546 0.0030112 -3.54009 63.546000 Cu 0.14716 0.0759247 1 534 63.546 0.00579594 -3.54051 63.546000 Cu 0.187885 0.0886021 0.5 565 63.546 0.00136291 -3.53922 63.546000 Cu 0.236963 0.0787435 4.28869e-17 567 63.546 0.00663668 -3.53661 63.546000 Cu 0.278087 0.0911522 0.5 570 63.546 0.0062965 -3.53758 63.546000 Cu 0.286223 0.068871 0.5 569 63.546 0.0171562 -3.53495 63.546000 Cu 0.327461 0.0810303 2.44983e-16 568 63.546 0.00720509 -3.53758 63.546000 Cu 0.376953 0.0707008 0.5 574 63.546 0.00354842 -3.53819 63.546000 Cu 0.368636 0.0930875 0.5 607 63.546 0.00214111 -3.53887 63.546000 Cu 0.418064 0.0826492 2.10841e-17 609 63.546 0.000778398 -3.53926 63.546000 Cu 0.508354 0.0841639 6.54086e-17 610 63.546 0.0030112 -3.54009 63.546000 Cu 0.467478 0.0720911 0.5 611 63.546 0.00140533 -3.53929 63.546000 Cu 0.45905 0.0946788 0.5 612 63.546 0.000748637 -3.53973 63.546000 Cu 0.557547 0.0736558 0.5 616 63.546 0.0082446 -3.54063 63.546000 Cu 0.549115 0.0964049 0.5 655 63.546 0.00392413 -3.54058 63.546000 Cu 0.598196 0.0860792 5.13924e-17 657 63.546 0.00600715 -3.5409 63.546000 Cu 0.687885 0.0886021 1.03024e-16 658 63.546 0.00136291 -3.53922 63.546000 Cu 0.64716 0.0759247 0.5 659 63.546 0.00579594 -3.54051 63.546000 Cu 0.638895 0.0986193 0.5 660 63.546 0.00203316 -3.54037 63.546000 Cu 0.827461 0.0810303 0.5 505 63.546 0.00720509 -3.53758 63.546000 Cu 0.786223 0.068871 3.00688e-17 662 63.546 0.0171562 -3.53495 63.546000 Cu 0.736963 0.0787435 0.5 664 63.546 0.00663668 -3.53661 63.546000 Cu 0.778087 0.0911522 1 705 63.546 0.0062965 -3.53758 63.546000 Cu 0.868636 0.0930875 1.00149e-16 504 63.546 0.00214111 -3.53887 63.546000 Cu 0.876953 0.0707008 1 507 63.546 0.00354842 -3.53819 63.546000 Cu 0.967478 0.0720911 1 508 63.546 0.00140533 -3.53929 63.546000 Cu 0.918064 0.0826492 0.5 510 63.546 0.000778398 -3.53926 63.546000 Cu 0.95905 0.0946788 1 529 63.546 0.000748637 -3.53973 63.546000 Cu 0.0407146 0.119088 1 559 63.546 0.00170082 -3.54059 63.546000 Cu 0.130618 0.121254 1 560 63.546 0.00081209 -3.54057 63.546000 Cu 0.0898314 0.108792 0.5 561 63.546 0.00247142 -3.54076 63.546000 Cu 0.0815298 0.131455 0.5 562 63.546 0.000959524 -3.54057 63.546000 Cu 0.22884 0.101155 1 564 63.546 0.00229448 -3.53848 63.546000 Cu 0.179707 0.111153 0.5 566 63.546 0.000567368 -3.53967 63.546000 Cu 0.220692 0.123607 1.525e-16 601 63.546 0.000814527 -3.53908 63.546000 Cu 0.269893 0.11353 0.5 603 63.546 0.00273078 -3.53845 63.546000 Cu 0.310983 0.125774 3.59388e-19 602 63.546 0.00159068 -3.53886 63.546000 Cu 0.319233 0.103376 1 605 63.546 0.00345125 -3.5385 63.546000 Cu 0.409678 0.105136 5.15122e-17 606 63.546 0.000416288 -3.53931 63.546000 Cu 0.360298 0.115506 0.5 608 63.546 0.00103497 -3.53897 63.546000 Cu 0.401337 0.127629 1.55735e-18 649 63.546 0.000219678 -3.53976 63.546000 Cu 0.491552 0.129437 3.92931e-17 650 63.546 0.000892634 -3.54033 63.546000 Cu 0.450637 0.117244 0.5 651 63.546 0.000451433 -3.53987 63.546000 Cu 0.499911 0.106816 3.59388e-19 653 63.546 0.0016894 -3.54021 63.546000 Cu 0.540715 0.119088 0.5 656 63.546 0.00170082 -3.54059 63.546000 Cu 0.58153 0.131455 1 697 63.546 0.000959524 -3.54057 63.546000 Cu 0.589831 0.108792 0 654 63.546 0.00247142 -3.54076 63.546000 Cu 0.630618 0.121254 0.5 699 63.546 0.00081209 -3.54057 63.546000 Cu 0.679707 0.111153 1 701 63.546 0.000567368 -3.53967 63.546000 Cu 0.720692 0.123607 0.5 704 63.546 0.000814527 -3.53908 63.546000 Cu 0.819233 0.103376 0.5 506 63.546 0.00345125 -3.5385 63.546000 Cu 0.810983 0.125774 0.5 524 63.546 0.00159068 -3.53886 63.546000 Cu 0.769893 0.11353 1 702 63.546 0.00273078 -3.53845 63.546000 Cu 0.72884 0.101155 0.5 703 63.546 0.00229448 -3.53848 63.546000 Cu 0.860298 0.115506 5.64239e-17 525 63.546 0.00103497 -3.53897 63.546000 Cu 0.950637 0.117244 1.56334e-16 526 63.546 0.000451433 -3.53987 63.546000 Cu 0.909678 0.105136 0.5 527 63.546 0.000416288 -3.53931 63.546000 Cu 0.901337 0.127629 0.5 528 63.546 0.000219678 -3.53976 63.546000 Cu 0.999911 0.106816 0.5 532 63.546 0.0016894 -3.54021 63.546000 Cu 0.991552 0.129437 0.5 557 63.546 0.000892634 -3.54033 63.546000 Cu 0.032472 0.141731 1 556 63.546 0.000660294 -3.5405 63.546000 Cu 0.0244341 0.16434 1 593 63.546 0.000281644 -3.54045 63.546000 Cu 0.114573 0.166424 0 594 63.546 0.000223912 -3.54003 63.546000 Cu 0.0734671 0.154068 0.5 595 63.546 0.000448709 -3.54034 63.546000 Cu 0.122497 0.143854 1 597 63.546 0.000347723 -3.54017 63.546000 Cu 0.171576 0.133701 0.5 599 63.546 0.000211041 -3.54 63.546000 Cu 0.212626 0.146094 2.04731e-16 598 63.546 0.000284771 -3.53947 63.546000 Cu 0.163572 0.156238 0.5 600 63.546 0.000110086 -3.53982 63.546000 Cu 0.26177 0.135954 0.5 604 63.546 0.000981738 -3.53904 63.546000 Cu 0.253758 0.158428 0.5 643 63.546 0.000466288 -3.5395 63.546000 Cu 0.302878 0.14823 1.876e-16 645 63.546 0.000803772 -3.53939 63.546000 Cu 0.393178 0.150154 1 646 63.546 0.000131305 -3.53993 63.546000 Cu 0.352078 0.137966 0.5 647 63.546 0.00055684 -3.53961 63.546000 Cu 0.344044 0.16046 0.5 648 63.546 0.000320067 -3.53966 63.546000 Cu 0.442376 0.139806 0.5 652 63.546 0.000265883 -3.5402 63.546000 Cu 0.434292 0.162368 0.5 691 63.546 0.000185933 -3.5401 63.546000 Cu 0.483366 0.152047 4.14494e-17 693 63.546 0.000355149 -3.54035 63.546000 Cu 0.532472 0.141731 0.5 695 63.546 0.000660294 -3.5405 63.546000 Cu 0.524434 0.16434 0.5 696 63.546 0.000281644 -3.54045 63.546000 Cu 0.671576 0.133701 1 698 63.546 0.000211041 -3.54 63.546000 Cu 0.573467 0.154068 7.48724e-17 694 63.546 0.000448709 -3.54034 63.546000 Cu 0.622497 0.143854 0.5 700 63.546 0.000347723 -3.54017 63.546000 Cu 0.614573 0.166424 0.5 739 63.546 0.000223912 -3.54003 63.546000 Cu 0.663572 0.156238 1.19796e-19 741 63.546 0.000110086 -3.53982 63.546000 Cu 0.712626 0.146094 0.5 743 63.546 0.000284771 -3.53947 63.546000 Cu 0.852078 0.137966 0 523 63.546 0.00055684 -3.53961 63.546000 Cu 0.844044 0.16046 2.39592e-19 551 63.546 0.000320067 -3.53966 63.546000 Cu 0.753758 0.158428 0 742 63.546 0.000466288 -3.5395 63.546000 Cu 0.76177 0.135954 1.69272e-16 745 63.546 0.000981738 -3.53904 63.546000 Cu 0.802878 0.14823 0.5 746 63.546 0.000803772 -3.53939 63.546000 Cu 0.934292 0.162368 1 552 63.546 0.000185933 -3.5401 63.546000 Cu 0.893178 0.150154 0.5 553 63.546 0.000131305 -3.53993 63.546000 Cu 0.942376 0.139806 8.93678e-17 555 63.546 0.000265883 -3.5402 63.546000 Cu 0.983366 0.152047 0.5 558 63.546 0.000355149 -3.54035 63.546000 Cu 0.0166728 0.186921 3.09313e-16 590 63.546 7.90928e-05 -3.54027 63.546000 Cu 0.0656258 0.176652 0.5 596 63.546 0.000231071 -3.54026 63.546000 Cu 0.057937 0.199214 0.5 635 63.546 0.000237708 -3.5401 63.546000 Cu 0.106867 0.188979 3.00688e-17 637 63.546 0.000139063 -3.54001 63.546000 Cu 0.155779 0.17878 0.5 639 63.546 4.46711e-05 -3.53982 63.546000 Cu 0.197046 0.191124 1 638 63.546 6.51996e-05 -3.53977 63.546000 Cu 0.204722 0.168604 1 641 63.546 0.000188817 -3.53971 63.546000 Cu 0.245977 0.180927 0.5 644 63.546 0.000204682 -3.5396 63.546000 Cu 0.294972 0.170716 2.78166e-16 642 63.546 0.000397642 -3.53955 63.546000 Cu 0.287276 0.193216 1.1752e-16 685 63.546 0.000122781 -3.53988 63.546000 Cu 0.377545 0.195225 1 686 63.546 7.26028e-05 -3.54017 63.546000 Cu 0.33626 0.182968 0.5 687 63.546 0.000119937 -3.53977 63.546000 Cu 0.385245 0.172685 1.22192e-16 689 63.546 0.000104316 -3.5399 63.546000 Cu 0.426471 0.184932 0.5 692 63.546 4.17604e-05 -3.54028 63.546000 Cu 0.475446 0.174633 2.45102e-16 690 63.546 0.000132445 -3.54038 63.546000 Cu 0.467755 0.197204 1.19796e-19 733 63.546 0.000101088 -3.54021 63.546000 Cu 0.557937 0.199214 1 734 63.546 0.000237708 -3.5401 63.546000 Cu 0.516673 0.186921 0.5 735 63.546 7.90928e-05 -3.54027 63.546000 Cu 0.565626 0.176652 1.06978e-16 737 63.546 0.000231071 -3.54026 63.546000 Cu 0.655779 0.17878 1.54537e-17 738 63.546 4.46711e-05 -3.53982 63.546000 Cu 0.606867 0.188979 0.5 740 63.546 0.000139063 -3.54001 63.546000 Cu 0.704722 0.168604 0.5 744 63.546 0.000188817 -3.53971 63.546000 Cu 0.697046 0.191124 0.5 783 63.546 6.51996e-05 -3.53977 63.546000 Cu 0.83626 0.182968 1.19796e-19 550 63.546 0.000119937 -3.53977 63.546000 Cu 0.745977 0.180927 1 785 63.546 0.000204682 -3.5396 63.546000 Cu 0.794972 0.170716 0.5 786 63.546 0.000397642 -3.53955 63.546000 Cu 0.787276 0.193216 0.5 787 63.546 0.000122781 -3.53988 63.546000 Cu 0.885245 0.172685 0.5 554 63.546 0.000104316 -3.5399 63.546000 Cu 0.877545 0.195225 0.5 587 63.546 7.26028e-05 -3.54017 63.546000 Cu 0.926471 0.184932 1.26025e-16 589 63.546 4.17604e-05 -3.54028 63.546000 Cu 0.975446 0.174633 0.5 591 63.546 0.000132445 -3.54038 63.546000 Cu 0.967755 0.197204 0.5 592 63.546 0.000101088 -3.54021 63.546000 Cu 0.099089 0.211523 4.6361e-17 634 63.546 0.000345207 -3.54009 63.546000 Cu 0.0499448 0.221769 0.5 636 63.546 0.000174482 -3.54002 63.546000 Cu 0.140102 0.223846 0.5 679 63.546 0.000131312 -3.53994 63.546000 Cu 0.000735966 0.232029 8.2779e-17 630 63.546 7.50499e-05 -3.53997 63.546000 Cu 0.00893128 0.209477 4.89965e-17 633 63.546 0.000294285 -3.54001 63.546000 Cu 0.148112 0.201317 0.5 640 63.546 0.00013395 -3.5399 63.546000 Cu 0.189258 0.213649 1 681 63.546 0.000226448 -3.53981 63.546000 Cu 0.279458 0.215737 1.22551e-16 682 63.546 0.000245883 -3.5398 63.546000 Cu 0.238305 0.203442 0.5 683 63.546 0.000215118 -3.53989 63.546000 Cu 0.230271 0.22596 0.5 684 63.546 0.000127454 -3.53963 63.546000 Cu 0.328558 0.205498 0.5 688 63.546 0.000302577 -3.54004 63.546000 Cu 0.320427 0.228024 0.5 727 63.546 7.11457e-05 -3.53992 63.546000 Cu 0.369656 0.21777 1 729 63.546 0.000236258 -3.54008 63.546000 Cu 0.418753 0.207495 0.5 731 63.546 0.000213662 -3.54012 63.546000 Cu 0.410603 0.230046 0.5 732 63.546 7.48642e-05 -3.54017 63.546000 Cu 0.45981 0.219757 9.42794e-17 730 63.546 0.000172104 -3.53999 63.546000 Cu 0.508931 0.209477 0.5 736 63.546 0.000294285 -3.54001 63.546000 Cu 0.500736 0.232029 0.5 775 63.546 7.50499e-05 -3.53997 63.546000 Cu 0.549945 0.221769 1 777 63.546 0.000174482 -3.54002 63.546000 Cu 0.640102 0.223846 1.06379e-16 778 63.546 0.000131312 -3.53994 63.546000 Cu 0.599089 0.211523 0.5 779 63.546 0.000345207 -3.54009 63.546000 Cu 0.648112 0.201317 1 781 63.546 0.00013395 -3.5399 63.546000 Cu 0.689258 0.213649 0.5 784 63.546 0.000226448 -3.53981 63.546000 Cu 0.820427 0.228024 1.61126e-16 584 63.546 7.11457e-05 -3.53992 63.546000 Cu 0.828558 0.205498 1.07697e-16 585 63.546 0.000302577 -3.54004 63.546000 Cu 0.738305 0.203442 3.00688e-17 782 63.546 0.000215118 -3.53989 63.546000 Cu 0.730271 0.22596 4.87569e-17 825 63.546 0.000127454 -3.53963 63.546000 Cu 0.779458 0.215737 0.5 826 63.546 0.000245883 -3.5398 63.546000 Cu 0.869656 0.21777 0.5 588 63.546 0.000236258 -3.54008 63.546000 Cu 0.918753 0.207495 2.18867e-16 586 63.546 0.000213662 -3.54012 63.546000 Cu 0.910603 0.230046 1 629 63.546 7.48642e-05 -3.54017 63.546000 Cu 0.95981 0.219757 0.5 631 63.546 0.000172104 -3.53999 63.546000 Cu 0.0825437 0.256586 1.69631e-16 674 63.546 0.000128221 -3.53991 63.546000 Cu 0.04162 0.244307 0.5 675 63.546 7.4853e-05 -3.53998 63.546000 Cu 0.090857 0.234061 1 677 63.546 9.43195e-05 -3.53995 63.546000 Cu 0.131775 0.246361 0.5 680 63.546 5.05195e-05 -3.53972 63.546000 Cu 0.181046 0.236159 2.86073e-16 678 63.546 2.63516e-05 -3.53975 63.546000 Cu 0.172687 0.258659 1 721 63.546 8.86963e-05 -3.53963 63.546000 Cu 0.262884 0.26077 1.78376e-16 722 63.546 6.46821e-05 -3.53992 63.546000 Cu 0.221965 0.248464 0.5 723 63.546 1.36894e-05 -3.53976 63.546000 Cu 0.271225 0.238252 5.76218e-17 725 63.546 3.76743e-05 -3.5397 63.546000 Cu 0.361361 0.240319 2.20544e-16 726 63.546 0.000117485 -3.54003 63.546000 Cu 0.312118 0.250553 0.5 728 63.546 3.39225e-05 -3.53983 63.546000 Cu 0.353013 0.262857 1.22791e-16 769 63.546 0.000162127 -3.53983 63.546000 Cu 0.402235 0.2526 0.5 771 63.546 0.000100583 -3.53992 63.546000 Cu 0.443147 0.264878 0 770 63.546 0.000137823 -3.54025 63.546000 Cu 0.45148 0.242314 1 773 63.546 1.41211e-06 -3.54013 63.546000 Cu 0.54162 0.244307 1 774 63.546 7.4853e-05 -3.53998 63.546000 Cu 0.492367 0.254584 0.5 776 63.546 5.05161e-05 -3.54036 63.546000 Cu 0.582544 0.256586 0.5 819 63.546 0.000128221 -3.53991 63.546000 Cu 0.590857 0.234061 0.5 780 63.546 9.43195e-05 -3.53995 63.546000 Cu 0.631775 0.246361 1 821 63.546 5.05195e-05 -3.53972 63.546000 Cu 0.681046 0.236159 0.5 823 63.546 2.63516e-05 -3.53975 63.546000 Cu 0.672687 0.258659 0.5 824 63.546 8.86963e-05 -3.53963 63.546000 Cu 0.721965 0.248464 5.87e-18 822 63.546 1.36894e-05 -3.53976 63.546000 Cu 0.812118 0.250553 3.59388e-19 625 63.546 3.39225e-05 -3.53983 63.546000 Cu 0.853013 0.262857 0.5 628 63.546 0.000162127 -3.53983 63.546000 Cu 0.771225 0.238252 0.5 827 63.546 3.76743e-05 -3.5397 63.546000 Cu 0.762884 0.26077 0.5 867 63.546 6.46821e-05 -3.53992 63.546000 Cu 0.861361 0.240319 0.5 627 63.546 0.000117485 -3.54003 63.546000 Cu 0.902235 0.2526 1 626 63.546 0.000100583 -3.53992 63.546000 Cu 0.95148 0.242314 0.5 632 63.546 1.41211e-06 -3.54013 63.546000 Cu 0.943147 0.264878 0.5 671 63.546 0.000137823 -3.54025 63.546000 Cu 0.992367 0.254584 2.45582e-17 673 63.546 5.05161e-05 -3.54036 63.546000 Cu 0.0333303 0.266855 0.5 676 63.546 5.08654e-05 -3.54024 63.546000 Cu 0.0251728 0.289407 0.5 715 63.546 5.6844e-05 -3.53996 63.546000 Cu 0.0743177 0.279127 1 717 63.546 7.51844e-05 -3.54006 63.546000 Cu 0.12349 0.268871 0.5 719 63.546 0.000161592 -3.53992 63.546000 Cu 0.115335 0.291399 0.5 720 63.546 0.000181694 -3.53989 63.546000 Cu 0.164516 0.281166 1.69391e-16 718 63.546 0.000130685 -3.53972 63.546000 Cu 0.213696 0.270968 0.5 724 63.546 2.89026e-05 -3.53974 63.546000 Cu 0.205572 0.293459 0.5 763 63.546 0.000251744 -3.53944 63.546000 Cu 0.25473 0.283287 1 765 63.546 4.25926e-05 -3.53972 63.546000 Cu 0.29578 0.295615 0.5 768 63.546 0.00013955 -3.53995 63.546000 Cu 0.344905 0.285403 1.2938e-16 766 63.546 0.000119996 -3.54032 63.546000 Cu 0.303882 0.273085 0.5 767 63.546 7.05825e-05 -3.53998 63.546000 Cu 0.394034 0.275149 0.5 772 63.546 8.7078e-05 -3.54027 63.546000 Cu 0.385944 0.297723 0.5 811 63.546 0.000286189 -3.5403 63.546000 Cu 0.53333 0.266855 3.18657e-17 817 63.546 5.08654e-05 -3.54024 63.546000 Cu 0.435069 0.287447 5.3429e-17 813 63.546 0.000149578 -3.54011 63.546000 Cu 0.525173 0.289407 0 814 63.546 5.6844e-05 -3.53996 63.546000 Cu 0.484178 0.277145 0.5 815 63.546 1.50403e-05 -3.54008 63.546000 Cu 0.476044 0.299712 0.5 816 63.546 0.000139987 -3.54 63.546000 Cu 0.574318 0.279127 0.5 820 63.546 7.51844e-05 -3.54006 63.546000 Cu 0.62349 0.268871 2.0533e-16 818 63.546 0.000161592 -3.53992 63.546000 Cu 0.615335 0.291399 2.16232e-16 861 63.546 0.000181694 -3.53989 63.546000 Cu 0.705572 0.293459 1.79694e-18 862 63.546 0.000251744 -3.53944 63.546000 Cu 0.664516 0.281166 0.5 863 63.546 0.000130685 -3.53972 63.546000 Cu 0.713696 0.270968 1.21593e-16 865 63.546 2.89026e-05 -3.53974 63.546000 Cu 0.844905 0.285403 0.5 667 63.546 0.000119996 -3.54032 63.546000 Cu 0.803882 0.273085 1 866 63.546 7.05825e-05 -3.53998 63.546000 Cu 0.75473 0.283287 0.5 868 63.546 4.25926e-05 -3.53972 63.546000 Cu 0.79578 0.295615 1.26984e-16 907 63.546 0.00013955 -3.53995 63.546000 Cu 0.885944 0.297723 1.38125e-16 666 63.546 0.000286189 -3.5403 63.546000 Cu 0.894034 0.275149 6.5768e-17 669 63.546 8.7078e-05 -3.54027 63.546000 Cu 0.984178 0.277145 3.00688e-17 670 63.546 1.50403e-05 -3.54008 63.546000 Cu 0.935069 0.287447 0.5 672 63.546 0.000149578 -3.54011 63.546000 Cu 0.976044 0.299712 2.14435e-17 713 63.546 0.000139987 -3.54 63.546000 Cu 0.0662232 0.301672 2.39592e-19 714 63.546 0.000147045 -3.54003 63.546000 Cu 0.017167 0.31197 0.5 716 63.546 0.000169429 -3.54023 63.546000 Cu 0.0584122 0.324203 1.997e-16 757 63.546 0.000247286 -3.53989 63.546000 Cu 0.107411 0.313914 0.5 759 63.546 0.000287356 -3.53968 63.546000 Cu 0.148724 0.326155 1.3513e-16 758 63.546 0.00073246 -3.53957 63.546000 Cu 0.156474 0.303664 1 761 63.546 0.00039707 -3.53963 63.546000 Cu 0.246705 0.305792 5.9898e-19 762 63.546 0.00016993 -3.53957 63.546000 Cu 0.197711 0.315957 0.5 764 63.546 0.000447521 -3.53958 63.546000 Cu 0.239041 0.328291 6.94816e-17 805 63.546 0.000294068 -3.53945 63.546000 Cu 0.287957 0.318144 0.5 807 63.546 0.000144898 -3.5397 63.546000 Cu 0.329233 0.33052 0 806 63.546 0.00035785 -3.54006 63.546000 Cu 0.336892 0.307958 1.22791e-16 809 63.546 0.000339647 -3.54003 63.546000 Cu 0.427021 0.310018 1 810 63.546 0.000303807 -3.54022 63.546000 Cu 0.378067 0.320303 0.5 812 63.546 0.000586573 -3.54018 63.546000 Cu 0.419313 0.332625 1 853 63.546 0.000605465 -3.54068 63.546000 Cu 0.468199 0.322298 0.5 855 63.546 0.000242814 -3.54045 63.546000 Cu 0.517167 0.31197 1 857 63.546 0.000169429 -3.54023 63.546000 Cu 0.566223 0.301672 0.5 859 63.546 0.000147045 -3.54003 63.546000 Cu 0.558412 0.324203 0.5 860 63.546 0.000247286 -3.53989 63.546000 Cu 0.607411 0.313914 1.19796e-19 858 63.546 0.000287356 -3.53968 63.546000 Cu 0.656474 0.303664 0.5 864 63.546 0.00039707 -3.53963 63.546000 Cu 0.648724 0.326155 0.5 901 63.546 0.00073246 -3.53957 63.546000 Cu 0.697711 0.315957 1.62204e-16 903 63.546 0.000447521 -3.53958 63.546000 Cu 0.836892 0.307958 0.5 668 63.546 0.000339647 -3.54003 63.546000 Cu 0.829233 0.33052 0.5 707 63.546 0.00035785 -3.54006 63.546000 Cu 0.787957 0.318144 1.22431e-16 904 63.546 0.000144898 -3.5397 63.546000 Cu 0.746705 0.305792 0.5 905 63.546 0.00016993 -3.53957 63.546000 Cu 0.739041 0.328291 0.5 906 63.546 0.000294068 -3.53945 63.546000 Cu 0.878067 0.320303 0 709 63.546 0.000586573 -3.54018 63.546000 Cu 0.968199 0.322298 1 710 63.546 0.000242814 -3.54045 63.546000 Cu 0.927021 0.310018 0.5 711 63.546 0.000303807 -3.54022 63.546000 Cu 0.919313 0.332625 0.5 712 63.546 0.000605465 -3.54068 63.546000 Cu 0.0509165 0.346731 1 754 63.546 0.000216437 -3.54004 63.546000 Cu 0.0998252 0.336414 0.5 760 63.546 0.000438012 -3.53962 63.546000 Cu 0.0923998 0.358888 0.5 799 63.546 0.000834738 -3.53943 63.546000 Cu 0.141335 0.348624 0 801 63.546 0.00113782 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0.5 897 63.546 0.000216437 -3.54004 63.546000 Cu 0.5924 0.358888 1 896 63.546 0.000834738 -3.53943 63.546000 Cu 0.599825 0.336414 1 899 63.546 0.000438012 -3.53962 63.546000 Cu 0.69019 0.338442 1.22551e-16 900 63.546 0.000753595 -3.53892 63.546000 Cu 0.641335 0.348624 0.5 902 63.546 0.00113782 -3.53889 63.546000 Cu 0.682862 0.360875 3.00688e-17 933 63.546 0.00244636 -3.53846 63.546000 Cu 0.821807 0.353122 0.5 708 63.546 0.000780595 -3.54002 63.546000 Cu 0.773126 0.363235 2.1132e-16 934 63.546 0.00044819 -3.53945 63.546000 Cu 0.731697 0.350781 0.5 935 63.546 0.000855835 -3.53874 63.546000 Cu 0.780423 0.340682 9.99098e-17 937 63.546 0.000244637 -3.5396 63.546000 Cu 0.870495 0.342915 1 706 63.546 0.00103183 -3.54054 63.546000 Cu 0.863089 0.365569 0 749 63.546 0.00221553 -3.54061 63.546000 Cu 0.911812 0.355266 0.5 751 63.546 0.00144301 -3.54077 63.546000 Cu 0.960643 0.344908 1.22551e-16 753 63.546 0.000554901 -3.54059 63.546000 Cu 0.0357771 0.391733 2.45102e-16 794 63.546 0.000856854 -3.53943 63.546000 Cu 0.0434075 0.369247 1.16801e-16 797 63.546 0.000438944 -3.53982 63.546000 Cu 0.133912 0.37104 3.59388e-19 798 63.546 0.0028416 -3.53847 63.546000 Cu 0.0848864 0.381318 0.5 800 63.546 0.00180174 -3.53887 63.546000 Cu 0.126414 0.393387 0 841 63.546 0.00641572 -3.53767 63.546000 Cu 0.216992 0.395674 9.20033e-17 842 63.546 0.00589343 -3.53606 63.546000 Cu 0.175488 0.383261 0.5 843 63.546 0.0061626 -3.53729 63.546000 Cu 0.224398 0.373259 1.22791e-16 845 63.546 0.00198505 -3.53828 63.546000 Cu 0.265743 0.385799 0.5 848 63.546 0.00128694 -3.539 63.546000 Cu 0.314437 0.375762 1.67714e-17 846 63.546 0.00203301 -3.54035 63.546000 Cu 0.306907 0.398462 1 887 63.546 0.00584778 -3.54044 63.546000 Cu 0.35557 0.388289 0.5 889 63.546 0.00569554 -3.54101 63.546000 Cu 0.404326 0.37795 7.79871e-17 891 63.546 0.00339124 -3.54074 63.546000 Cu 0.445483 0.390189 0.5 894 63.546 0.00242507 -3.54035 63.546000 Cu 0.494434 0.37969 1 892 63.546 0.000682815 -3.53984 63.546000 Cu 0.453129 0.367536 0.5 893 63.546 0.0012532 -3.54045 63.546000 Cu 0.543408 0.369247 0.5 898 63.546 0.000438944 -3.53982 63.546000 Cu 0.535777 0.391733 0.5 927 63.546 0.000856854 -3.53943 63.546000 Cu 0.584886 0.381318 1 929 63.546 0.00180174 -3.53887 63.546000 Cu 0.675488 0.383261 5.59447e-17 930 63.546 0.0061626 -3.53729 63.546000 Cu 0.633912 0.37104 0.5 931 63.546 0.0028416 -3.53847 63.546000 Cu 0.626414 0.393387 0.5 932 63.546 0.00641572 -3.53767 63.546000 Cu 0.724398 0.373259 0.5 936 63.546 0.00198505 -3.53828 63.546000 Cu 0.716992 0.395674 0.5 957 63.546 0.00589343 -3.53606 63.546000 Cu 0.85557 0.388289 5.63041e-17 747 63.546 0.00569554 -3.54101 63.546000 Cu 0.814437 0.375762 0.5 748 63.546 0.00203301 -3.54035 63.546000 Cu 0.765743 0.385799 3.92931e-17 959 63.546 0.00128694 -3.539 63.546000 Cu 0.806907 0.398462 0.5 960 63.546 0.00584778 -3.54044 63.546000 Cu 0.953129 0.367536 2.00419e-16 750 63.546 0.0012532 -3.54045 63.546000 Cu 0.904326 0.37795 0.5 752 63.546 0.00339124 -3.54074 63.546000 Cu 0.945483 0.390189 3.44653e-16 793 63.546 0.00242507 -3.54035 63.546000 Cu 0.994434 0.37969 0.5 795 63.546 0.000682815 -3.53984 63.546000 Cu 0.0279606 0.414207 1 837 63.546 0.0015909 -3.53896 63.546000 Cu 0.118774 0.415643 3.00688e-17 838 63.546 0.0131303 -3.53614 63.546000 Cu 0.0772291 0.403703 0.5 839 63.546 0.00331158 -3.53855 63.546000 Cu 0.0693665 0.426023 0.5 840 63.546 0.00534662 -3.53766 63.546000 Cu 0.160436 0.427666 0.5 881 63.546 0.047037 -3.53008 63.546000 Cu 0.168022 0.405549 0.5 844 63.546 0.0161521 -3.53473 63.546000 Cu 0.209613 0.417987 1 883 63.546 0.0219056 -3.53102 63.546000 Cu 0.258316 0.408375 0.5 885 63.546 0.00409079 -3.53772 63.546000 Cu 0.250837 0.431002 0.5 886 63.546 0.0157216 -3.53455 63.546000 Cu 0.396571 0.400702 1 888 63.546 0.0074425 -3.54078 63.546000 Cu 0.299252 0.421265 2.1719e-16 884 63.546 0.0180032 -3.54012 63.546000 Cu 0.347839 0.411109 0.5 890 63.546 0.0144011 -3.54094 63.546000 Cu 0.388635 0.423551 3.00688e-17 921 63.546 0.0151775 -3.54012 63.546000 Cu 0.4376 0.412905 0.5 923 63.546 0.00480366 -3.53991 63.546000 Cu 0.478692 0.424883 3.15782e-16 922 63.546 0.00231866 -3.53866 63.546000 Cu 0.486678 0.402277 3.00688e-17 925 63.546 0.00130084 -3.53983 63.546000 Cu 0.527961 0.414207 0.5 928 63.546 0.0015909 -3.53896 63.546000 Cu 0.569366 0.426023 0 951 63.546 0.00534662 -3.53766 63.546000 Cu 0.577229 0.403703 1 926 63.546 0.00331158 -3.53855 63.546000 Cu 0.660436 0.427666 1.35369e-17 952 63.546 0.047037 -3.53008 63.546000 Cu 0.618774 0.415643 0.5 953 63.546 0.0131303 -3.53614 63.546000 Cu 0.668022 0.405549 8.02633e-17 955 63.546 0.0161521 -3.53473 63.546000 Cu 0.709613 0.417987 0.5 958 63.546 0.0219056 -3.53102 63.546000 Cu 0.847839 0.411109 3.59388e-19 789 63.546 0.0144011 -3.54094 63.546000 Cu 0.758316 0.408375 1 956 63.546 0.00409079 -3.53772 63.546000 Cu 0.750837 0.431002 1 972 63.546 0.0157216 -3.53455 63.546000 Cu 0.799252 0.421265 0.5 973 63.546 0.0180032 -3.54012 63.546000 Cu 0.896571 0.400702 0.5 791 63.546 0.0074425 -3.54078 63.546000 Cu 0.9376 0.412905 5.9898e-19 790 63.546 0.00480366 -3.53991 63.546000 Cu 0.888635 0.423551 0.5 792 63.546 0.0151775 -3.54012 63.546000 Cu 0.986678 0.402277 0.5 796 63.546 0.00130084 -3.53983 63.546000 Cu 0.978692 0.424883 0.5 835 63.546 0.00231866 -3.53866 63.546000 Cu 0.0198236 0.43666 0 834 63.546 0.00245879 -3.53762 63.546000 Cu 0.102437 0.459791 1.22431e-16 876 63.546 0.0283655 -3.53386 63.546000 Cu 0.0610964 0.448283 0.5 877 63.546 0.00632401 -3.53693 63.546000 Cu 0.110875 0.437777 1.59329e-16 879 63.546 0.0233312 -3.53485 63.546000 Cu 0.0112767 0.459093 2.45102e-16 875 63.546 0.00458169 -3.53538 63.546000 Cu 0.152589 0.449563 0.5 882 63.546 0.13468 -3.52205 63.546000 Cu 0.202107 0.440105 6.24137e-17 880 63.546 0.0940758 -3.51557 63.546000 Cu 0.194288 0.461776 6.72055e-17 913 63.546 0.524247 -3.46647 63.546000 Cu 0.243334 0.453808 0.5 915 63.546 0.0888429 -3.51813 63.546000 Cu 0.33984 0.434091 0.5 919 63.546 0.0374272 -3.54028 63.546000 Cu 0.291252 0.444262 2.01137e-16 917 63.546 0.0592592 -3.53808 63.546000 Cu 0.380278 0.446535 1 918 63.546 0.0286921 -3.53668 63.546000 Cu 0.331363 0.457335 0.5 920 63.546 0.0943629 -3.53228 63.546000 Cu 0.420835 0.458518 0.5 945 63.546 0.00994042 -3.53221 63.546000 Cu 0.429453 0.43568 0.5 924 63.546 0.00787072 -3.5377 63.546000 Cu 0.470291 0.447503 3.59388e-19 947 63.546 0.00314647 -3.5358 63.546000 Cu 0.561096 0.448283 1 948 63.546 0.00632401 -3.53693 63.546000 Cu 0.519824 0.43666 0.5 949 63.546 0.00245879 -3.53762 63.546000 Cu 0.511277 0.459093 0.5 950 63.546 0.00458169 -3.53538 63.546000 Cu 0.610875 0.437777 0.5 954 63.546 0.0233312 -3.53485 63.546000 Cu 0.602437 0.459791 0.5 966 63.546 0.0283655 -3.53386 63.546000 Cu 0.652589 0.449563 1 968 63.546 0.13468 -3.52205 63.546000 Cu 0.702107 0.440105 0.5 970 63.546 0.0940758 -3.51557 63.546000 Cu 0.694288 0.461776 0.5 971 63.546 0.524247 -3.46647 63.546000 Cu 0.83984 0.434091 1 788 63.546 0.0374272 -3.54028 63.546000 Cu 0.831363 0.457335 1 829 63.546 0.0943629 -3.53228 63.546000 Cu 0.743334 0.453808 0 969 63.546 0.0888429 -3.51813 63.546000 Cu 0.791252 0.444262 0.5 974 63.546 0.0592592 -3.53808 63.546000 Cu 0.920835 0.458518 3.21652e-16 830 63.546 0.00994042 -3.53221 63.546000 Cu 0.880278 0.446535 0.5 831 63.546 0.0286921 -3.53668 63.546000 Cu 0.929453 0.43568 2.53848e-16 833 63.546 0.00787072 -3.5377 63.546000 Cu 0.970291 0.447503 0.5 836 63.546 0.00314647 -3.5358 63.546000 Cu 0.0526061 0.470504 0.5 878 63.546 0.0203819 -3.53587 63.546000 Cu 0.0481404 0.492823 0.5 908 63.546 0.0700362 -3.54248 63.546000 Cu 0.0944545 0.481792 1 909 63.546 0.0852208 -3.53373 63.546000 Cu 0.139 0.49284 0.5 912 63.546 3.22165 -3.4686 63.546000 Cu 0.00391025 0.481565 1.3525e-16 872 63.546 0.0543176 -3.53794 63.546000 Cu 0.28253 0.467642 1 914 63.546 0.265412 -3.51282 63.546000 Cu 0.143889 0.471162 0.5 911 63.546 0.417933 -3.50002 63.546000 Cu 0.184468 0.482657 1 910 63.546 7.14341 -3.26114 63.546000 Cu 0.23584 0.477157 0.5 916 63.546 5.59038 -3.41926 63.546000 Cu 0.270293 0.492818 0 939 63.546 4.50215 -3.52618 63.546000 Cu 0.365149 0.492803 2.45102e-16 940 63.546 0.200916 -3.52267 63.546000 Cu 0.322261 0.481066 0.5 941 63.546 0.344965 -3.49882 63.546000 Cu 0.37145 0.46969 1.07816e-18 943 63.546 0.053848 -3.52591 63.546000 Cu 0.412991 0.481401 0.5 946 63.546 0.0610077 -3.53182 63.546000 Cu 0.461833 0.470155 1 944 63.546 0.0155004 -3.53355 63.546000 Cu 0.457027 0.492812 5.51061e-17 961 63.546 0.0900845 -3.54153 63.546000 Cu 0.54814 0.492823 1.9371e-16 962 63.546 0.0700362 -3.54248 63.546000 Cu 0.50391 0.481565 0.5 963 63.546 0.0543176 -3.53794 63.546000 Cu 0.552606 0.470504 1.19796e-19 964 63.546 0.0203819 -3.53587 63.546000 Cu 0.684468 0.482657 0.5 94 63.546 7.14341 -3.26114 63.546000 Cu 0.639 0.49284 1 490 63.546 3.22165 -3.4686 63.546000 Cu 0.643889 0.471162 1.85204e-16 965 63.546 0.417933 -3.50002 63.546000 Cu 0.594455 0.481792 0.5 967 63.546 0.0852208 -3.53373 63.546000 Cu 0.78253 0.467642 0.5 15 63.546 0.265412 -3.51282 63.546000 Cu 0.770293 0.492818 0.5 13 63.546 4.50215 -3.52618 63.546000 Cu 0.73584 0.477157 1.22791e-16 60 63.546 5.59038 -3.41926 63.546000 Cu 0.822261 0.481066 1.19796e-19 828 63.546 0.344965 -3.49882 63.546000 Cu 0.87145 0.46969 0.5 832 63.546 0.053848 -3.52591 63.546000 Cu 0.865149 0.492803 0.5 870 63.546 0.200916 -3.52267 63.546000 Cu 0.912991 0.481401 2.45102e-16 871 63.546 0.0610077 -3.53182 63.546000 Cu 0.961833 0.470155 0.5 873 63.546 0.0155004 -3.53355 63.546000 Cu 0.957027 0.492812 0.5 874 63.546 0.0900845 -3.54153 63.546000 Cu 0.0941663 0.503894 2.07247e-17 1 63.546 0.0918931 -3.53388 63.546000 Cu 0.00364601 0.504058 1 4 63.546 0.0586372 -3.53814 63.546000 Cu 0.0107526 0.526531 1 5 63.546 0.00516794 -3.53566 63.546000 Cu 0.0521909 0.515144 0.5 6 63.546 0.0216761 -3.53595 63.546000 Cu 0.101889 0.525903 1 8 63.546 0.0320796 -3.53378 63.546000 Cu 0.235538 0.50842 0.5 938 63.546 5.57148 -3.41728 63.546000 Cu 0.143428 0.514548 0.5 2 63.546 0.450264 -3.50008 63.546000 Cu 0.18407 0.503076 1.40041e-16 92 63.546 7.13391 -3.25607 63.546000 Cu 0.193739 0.523917 3.00688e-17 93 63.546 0.551825 -3.46262 63.546000 Cu 0.2428 0.531827 0.5 98 63.546 0.0928109 -3.51716 63.546000 Cu 0.281991 0.51797 2.51571e-18 95 63.546 0.269016 -3.51307 63.546000 Cu 0.370993 0.515906 1.15962e-16 58 63.546 0.0579452 -3.52671 63.546000 Cu 0.330804 0.528263 0.5 97 63.546 0.0969787 -3.53231 63.546000 Cu 0.32201 0.504541 0.5 942 63.546 0.343492 -3.49931 63.546000 Cu 0.412766 0.504196 0.5 59 63.546 0.0628189 -3.53214 63.546000 Cu 0.42028 0.527085 0.5 64 63.546 0.0114965 -3.53222 63.546000 Cu 0.503646 0.504058 0.5 34 63.546 0.0586372 -3.53814 63.546000 Cu 0.461394 0.515471 6.80441e-17 61 63.546 0.0182405 -3.53391 63.546000 Cu 0.510753 0.526531 0.5 63 63.546 0.00516794 -3.53566 63.546000 Cu 0.552191 0.515144 1.25786e-16 32 63.546 0.0216761 -3.53595 63.546000 Cu 0.68407 0.503076 0.5 14 63.546 7.13391 -3.25607 63.546000 Cu 0.594166 0.503894 0.5 33 63.546 0.0918931 -3.53388 63.546000 Cu 0.643428 0.514548 1.22911e-16 35 63.546 0.450264 -3.50008 63.546000 Cu 0.693739 0.523917 0.5 37 63.546 0.551825 -3.46262 63.546000 Cu 0.601889 0.525903 0.5 38 63.546 0.0320796 -3.53378 63.546000 Cu 0.735538 0.50842 0 469 63.546 5.57148 -3.41728 63.546000 Cu 0.830804 0.528263 2.98651e-16 16 63.546 0.0969787 -3.53231 63.546000 Cu 0.781991 0.51797 0.5 18 63.546 0.269016 -3.51307 63.546000 Cu 0.7428 0.531827 1.19796e-19 39 63.546 0.0928109 -3.51716 63.546000 Cu 0.82201 0.504541 1.22671e-16 869 63.546 0.343492 -3.49931 63.546000 Cu 0.912766 0.504196 1.72267e-16 3 63.546 0.0628189 -3.53214 63.546000 Cu 0.961394 0.515471 0.5 7 63.546 0.0182405 -3.53391 63.546000 Cu 0.870993 0.515906 0.5 17 63.546 0.0579452 -3.52671 63.546000 Cu 0.92028 0.527085 3.59388e-19 19 63.546 0.0114965 -3.53222 63.546000 Cu 0.110394 0.547913 2.39592e-19 9 63.546 0.0262783 -3.53445 63.546000 Cu 0.0605454 0.537379 0.5 11 63.546 0.00662875 -3.53662 63.546000 Cu 0.0194215 0.548971 1 23 63.546 0.00219633 -3.53709 63.546000 Cu 0.0691659 0.559639 0.5 25 63.546 0.00589676 -3.53708 63.546000 Cu 0.151996 0.536139 0.5 10 63.546 0.143972 -3.52178 63.546000 Cu 0.160185 0.558017 0.5 12 63.546 0.0519715 -3.5301 63.546000 Cu 0.201635 0.545568 1 134 63.546 0.0988931 -3.51492 63.546000 Cu 0.250522 0.554613 0.5 136 63.546 0.0163191 -3.53491 63.546000 Cu 0.290706 0.541341 0 96 63.546 0.0626409 -3.53808 63.546000 Cu 0.379757 0.539054 1.53339e-17 99 63.546 0.0304719 -3.53663 63.546000 Cu 0.388574 0.562026 6.10959e-18 100 63.546 0.0166534 -3.53965 63.546000 Cu 0.339506 0.551494 0.5 102 63.546 0.0393961 -3.54052 63.546000 Cu 0.29922 0.564321 8.70916e-17 137 63.546 0.0193986 -3.54082 63.546000 Cu 0.469782 0.538116 2.39592e-19 62 63.546 0.0032971 -3.53576 63.546000 Cu 0.519422 0.548971 0.5 68 63.546 0.00219633 -3.53709 63.546000 Cu 0.429062 0.549925 0.5 101 63.546 0.00787567 -3.53714 63.546000 Cu 0.47857 0.560731 1.79694e-18 103 63.546 0.0022338 -3.53775 63.546000 Cu 0.560545 0.537379 1 65 63.546 0.00662875 -3.53662 63.546000 Cu 0.569166 0.559639 4.03712e-17 66 63.546 0.00589676 -3.53708 63.546000 Cu 0.651996 0.536139 2.49175e-17 36 63.546 0.143972 -3.52178 63.546000 Cu 0.610394 0.547913 0.5 67 63.546 0.0262783 -3.53445 63.546000 Cu 0.660185 0.558017 1.22551e-16 69 63.546 0.0519715 -3.5301 63.546000 Cu 0.701635 0.545568 0.5 42 63.546 0.0988931 -3.51492 63.546000 Cu 0.750522 0.554613 1 40 63.546 0.0163191 -3.53491 63.546000 Cu 0.790706 0.541341 0.5 41 63.546 0.0626409 -3.53808 63.546000 Cu 0.79922 0.564321 0.5 46 63.546 0.0193986 -3.54082 63.546000 Cu 0.839506 0.551494 1 43 63.546 0.0393961 -3.54052 63.546000 Cu 0.929062 0.549925 3.3483e-16 20 63.546 0.00787567 -3.53714 63.546000 Cu 0.969782 0.538116 0.5 21 63.546 0.0032971 -3.53576 63.546000 Cu 0.879757 0.539054 0.5 22 63.546 0.0304719 -3.53663 63.546000 Cu 0.97857 0.560731 0.5 26 63.546 0.0022338 -3.53775 63.546000 Cu 0.888574 0.562026 0.5 45 63.546 0.0166534 -3.53965 63.546000 Cu 0.0282115 0.571417 1.67235e-16 24 63.546 0.00141162 -3.53807 63.546000 Cu 0.118944 0.570033 1.66397e-16 27 63.546 0.0156383 -3.5359 63.546000 Cu 0.0779505 0.581955 0.5 30 63.546 0.00437606 -3.5378 63.546000 Cu 0.0371433 0.593876 0 51 63.546 0.000844484 -3.5389 63.546000 Cu 0.12766 0.592267 1.22551e-16 28 63.546 0.00798851 -3.53709 63.546000 Cu 0.168622 0.580112 0.5 29 63.546 0.0181743 -3.53495 63.546000 Cu 0.209728 0.567657 1.49505e-16 135 63.546 0.0231537 -3.53162 63.546000 Cu 0.258814 0.57723 0.5 140 63.546 0.00403212 -3.53851 63.546000 Cu 0.218151 0.589951 1.22431e-16 174 63.546 0.00687056 -3.5367 63.546000 Cu 0.267433 0.59978 0.5 176 63.546 0.00142048 -3.53951 63.546000 Cu 0.307882 0.5871 9.08053e-17 138 63.546 0.00698922 -3.54087 63.546000 Cu 0.348238 0.574457 0.5 139 63.546 0.0161857 -3.5413 63.546000 Cu 0.39747 0.58486 1.12968e-16 141 63.546 0.00807893 -3.54048 63.546000 Cu 0.357095 0.597249 0.5 144 63.546 0.00707424 -3.54109 63.546000 Cu 0.487482 0.583318 1.22791e-16 104 63.546 0.00145643 -3.5391 63.546000 Cu 0.528211 0.571417 0.5 105 63.546 0.00141162 -3.53807 63.546000 Cu 0.437941 0.572681 0.5 106 63.546 0.00508574 -3.5391 63.546000 Cu 0.537143 0.593876 0.5 110 63.546 0.000844484 -3.5389 63.546000 Cu 0.446905 0.595379 0.5 143 63.546 0.00248708 -3.53979 63.546000 Cu 0.668622 0.580112 1.44713e-16 70 63.546 0.0181743 -3.53495 63.546000 Cu 0.618944 0.570033 0.5 72 63.546 0.0156383 -3.5359 63.546000 Cu 0.577951 0.581955 1.67834e-16 107 63.546 0.00437606 -3.5378 63.546000 Cu 0.62766 0.592267 0.5 109 63.546 0.00798851 -3.53709 63.546000 Cu 0.709728 0.567657 0.5 71 63.546 0.0231537 -3.53162 63.546000 Cu 0.758814 0.57723 1.5286e-16 73 63.546 0.00403212 -3.53851 63.546000 Cu 0.807882 0.5871 0.5 75 63.546 0.00698922 -3.54087 63.546000 Cu 0.718151 0.589951 0.5 76 63.546 0.00687056 -3.5367 63.546000 Cu 0.848238 0.574457 1.19796e-19 44 63.546 0.0161857 -3.5413 63.546000 Cu 0.857095 0.597249 1 77 63.546 0.00707424 -3.54109 63.546000 Cu 0.767433 0.59978 1.61844e-16 74 63.546 0.00142048 -3.53951 63.546000 Cu 0.987482 0.583318 0.5 49 63.546 0.00145643 -3.5391 63.546000 Cu 0.937941 0.572681 0 47 63.546 0.00508574 -3.5391 63.546000 Cu 0.946905 0.595379 0 48 63.546 0.00248708 -3.53979 63.546000 Cu 0.89747 0.58486 0.5 50 63.546 0.00807893 -3.54048 63.546000 Cu 0.0461229 0.616354 1 52 63.546 0.000634179 -3.53919 63.546000 Cu 0.0868177 0.604313 0.5 53 63.546 0.00267212 -3.5384 63.546000 Cu 0.0958613 0.626716 0.5 57 63.546 0.00150221 -3.53885 63.546000 Cu 0.00557032 0.628444 0.5 83 63.546 0.000479025 -3.53949 63.546000 Cu 0.136516 0.614575 2.39592e-19 55 63.546 0.00348988 -3.53833 63.546000 Cu 0.177303 0.60236 0.5 31 63.546 0.00669091 -3.53722 63.546000 Cu 0.22684 0.612329 6.32522e-17 175 63.546 0.00228754 -3.53859 63.546000 Cu 0.186249 0.624706 0.5 214 63.546 0.00256248 -3.53865 63.546000 Cu 0.276329 0.622313 0.5 180 63.546 0.000530005 -3.54003 63.546000 Cu 0.406464 0.607581 1 142 63.546 0.00428378 -3.5404 63.546000 Cu 0.316719 0.609773 2.37196e-16 177 63.546 0.00265397 -3.54084 63.546000 Cu 0.325801 0.632393 3.59388e-19 178 63.546 0.00112515 -3.54025 63.546000 Cu 0.366092 0.619947 0.5 179 63.546 0.00299735 -3.54078 63.546000 Cu 0.415585 0.630245 2.39592e-19 181 63.546 0.00207999 -3.5404 63.546000 Cu 0.496468 0.605892 5.52259e-17 145 63.546 0.000662739 -3.5395 63.546000 Cu 0.50557 0.628444 1 146 63.546 0.000479025 -3.53949 63.546000 Cu 0.546123 0.616354 0.5 147 63.546 0.000634179 -3.53919 63.546000 Cu 0.455957 0.618011 0.5 148 63.546 0.00148577 -3.53972 63.546000 Cu 0.586818 0.604313 1 108 63.546 0.00267212 -3.5384 63.546000 Cu 0.677303 0.60236 2.89187e-16 111 63.546 0.00669091 -3.53722 63.546000 Cu 0.686249 0.624706 2.61994e-16 112 63.546 0.00256248 -3.53865 63.546000 Cu 0.636516 0.614575 0.5 114 63.546 0.00348988 -3.53833 63.546000 Cu 0.595861 0.626716 0 149 63.546 0.00150221 -3.53885 63.546000 Cu 0.816719 0.609773 0.5 80 63.546 0.00265397 -3.54084 63.546000 Cu 0.72684 0.612329 0.5 113 63.546 0.00228754 -3.53859 63.546000 Cu 0.776329 0.622313 3.59388e-19 115 63.546 0.000530005 -3.54003 63.546000 Cu 0.825801 0.632393 0.5 117 63.546 0.00112515 -3.54025 63.546000 Cu 0.996468 0.605892 0.5 54 63.546 0.000662739 -3.5395 63.546000 Cu 0.866092 0.619947 2.25216e-17 78 63.546 0.00299735 -3.54078 63.546000 Cu 0.906464 0.607581 0.5 79 63.546 0.00428378 -3.5404 63.546000 Cu 0.955957 0.618011 1.22671e-16 81 63.546 0.00148577 -3.53972 63.546000 Cu 0.915585 0.630245 0.5 84 63.546 0.00207999 -3.5404 63.546000 Cu 0.055322 0.638826 9.2722e-17 85 63.546 0.000305104 -3.53936 63.546000 Cu 0.0644663 0.661324 3.80951e-17 86 63.546 0.000449717 -3.53982 63.546000 Cu 0.105087 0.649137 0.5 87 63.546 0.000750978 -3.53922 63.546000 Cu 0.0148419 0.650983 0.5 88 63.546 0.000215564 -3.53976 63.546000 Cu 0.145617 0.636952 3.59388e-19 56 63.546 0.00152789 -3.53868 63.546000 Cu 0.154691 0.659383 1 89 63.546 0.000915111 -3.53916 63.546000 Cu 0.235849 0.634771 1 215 63.546 0.000956445 -3.53941 63.546000 Cu 0.244812 0.657244 1.54657e-16 216 63.546 0.00044813 -3.53955 63.546000 Cu 0.195289 0.647109 0.5 218 63.546 0.000951978 -3.53897 63.546000 Cu 0.285392 0.644844 0.5 217 63.546 0.000326593 -3.53997 63.546000 Cu 0.37522 0.642594 0.5 184 63.546 0.00122833 -3.54037 63.546000 Cu 0.334813 0.654974 7.70288e-17 219 63.546 0.00061599 -3.54025 63.546000 Cu 0.384243 0.665183 0.5 221 63.546 0.000678158 -3.54051 63.546000 Cu 0.42477 0.652871 0 182 63.546 0.000860789 -3.5404 63.546000 Cu 0.465166 0.640618 0.5 183 63.546 0.000676645 -3.53997 63.546000 Cu 0.514842 0.650983 3.00688e-17 185 63.546 0.000215564 -3.53976 63.546000 Cu 0.474303 0.663179 0.5 188 63.546 0.00065847 -3.54022 63.546000 Cu 0.555322 0.638826 0.5 152 63.546 0.000305104 -3.53936 63.546000 Cu 0.564466 0.661324 0.5 187 63.546 0.000449717 -3.53982 63.546000 Cu 0.605087 0.649137 3.07995e-16 150 63.546 0.000750978 -3.53922 63.546000 Cu 0.645617 0.636952 0.5 151 63.546 0.00152789 -3.53868 63.546000 Cu 0.695289 0.647109 2.63551e-18 153 63.546 0.000951978 -3.53897 63.546000 Cu 0.654691 0.659383 0.5 156 63.546 0.000915111 -3.53916 63.546000 Cu 0.785392 0.644844 1.19796e-19 116 63.546 0.000326593 -3.53997 63.546000 Cu 0.735849 0.634771 0.5 118 63.546 0.000956445 -3.53941 63.546000 Cu 0.834813 0.654974 0.5 122 63.546 0.00061599 -3.54025 63.546000 Cu 0.744812 0.657244 0.5 155 63.546 0.00044813 -3.53955 63.546000 Cu 0.965166 0.640618 0 82 63.546 0.000676645 -3.53997 63.546000 Cu 0.87522 0.642594 2.16711e-16 119 63.546 0.00122833 -3.54037 63.546000 Cu 0.884243 0.665183 1 120 63.546 0.000678158 -3.54051 63.546000 Cu 0.92477 0.652871 0.5 121 63.546 0.000860789 -3.5404 63.546000 Cu 0.974303 0.663179 3.19735e-16 123 63.546 0.00065847 -3.54022 63.546000 Cu 0.113915 0.671616 0.5 91 63.546 0.000453538 -3.53968 63.546000 Cu 0.02375 0.673513 0.5 125 63.546 0.000212242 -3.54005 63.546000 Cu 0.0730856 0.683841 1 127 63.546 0.000218372 -3.5397 63.546000 Cu 0.12247 0.69411 0.5 129 63.546 0.000285894 -3.53983 63.546000 Cu 0.032309 0.696063 0.5 130 63.546 0.000125151 -3.54002 63.546000 Cu 0.163305 0.681845 1 90 63.546 0.000258011 -3.53977 63.546000 Cu 0.204131 0.66957 0.5 256 63.546 0.000484629 -3.53929 63.546000 Cu 0.253519 0.679723 3.59388e-19 257 63.546 0.000206496 -3.53962 63.546000 Cu 0.212693 0.692043 0.5 260 63.546 0.000281792 -3.53987 63.546000 Cu 0.343601 0.677531 9.08053e-17 220 63.546 0.000344027 -3.5401 63.546000 Cu 0.29423 0.667377 0.5 222 63.546 0.000172584 -3.53985 63.546000 Cu 0.392977 0.687747 0.5 226 63.546 0.000646714 -3.54013 63.546000 Cu 0.302864 0.689882 0.5 259 63.546 0.000244086 -3.53997 63.546000 Cu 0.52375 0.673513 5.69031e-17 186 63.546 0.000212242 -3.54005 63.546000 Cu 0.433632 0.675447 1.49505e-16 223 63.546 0.000453344 -3.54027 63.546000 Cu 0.442177 0.698016 1.86882e-17 224 63.546 0.000235938 -3.54024 63.546000 Cu 0.482975 0.685753 0.5 225 63.546 0.000167213 -3.54009 63.546000 Cu 0.532309 0.696063 2.08445e-17 227 63.546 0.000125151 -3.54002 63.546000 Cu 0.613915 0.671616 0 189 63.546 0.000453538 -3.53968 63.546000 Cu 0.62247 0.69411 3.00688e-17 190 63.546 0.000285894 -3.53983 63.546000 Cu 0.663305 0.681845 0.5 191 63.546 0.000258011 -3.53977 63.546000 Cu 0.573086 0.683841 0.5 192 63.546 0.000218372 -3.5397 63.546000 Cu 0.704131 0.66957 1 154 63.546 0.000484629 -3.53929 63.546000 Cu 0.712693 0.692043 3.00688e-17 193 63.546 0.000281792 -3.53987 63.546000 Cu 0.79423 0.667377 1 157 63.546 0.000172584 -3.53985 63.546000 Cu 0.802864 0.689882 1 158 63.546 0.000244086 -3.53997 63.546000 Cu 0.753519 0.679723 0.5 160 63.546 0.000206496 -3.53962 63.546000 Cu 0.843601 0.677531 0.5 159 63.546 0.000344027 -3.5401 63.546000 Cu 0.982975 0.685753 1 124 63.546 0.000167213 -3.54009 63.546000 Cu 0.933632 0.675447 0.5 126 63.546 0.000453344 -3.54027 63.546000 Cu 0.892977 0.687747 0 161 63.546 0.000646714 -3.54013 63.546000 Cu 0.942177 0.698016 0.5 163 63.546 0.000235938 -3.54024 63.546000 Cu 0.0815553 0.706359 1.84486e-17 128 63.546 0.000127699 -3.54008 63.546000 Cu 0.0406118 0.718612 0.5 167 63.546 3.86871e-05 -3.54012 63.546000 Cu 0.0898553 0.728902 1 169 63.546 0.00028007 -3.53999 63.546000 Cu 0.130799 0.716619 0.5 133 63.546 0.000155866 -3.53992 63.546000 Cu 0.171755 0.704335 0 131 63.546 0.000147677 -3.53968 63.546000 Cu 0.180019 0.726841 3.00688e-17 132 63.546 0.000138079 -3.53985 63.546000 Cu 0.261913 0.702228 1.02665e-16 258 63.546 7.06856e-05 -3.53973 63.546000 Cu 0.220962 0.714539 0.5 296 63.546 5.91694e-05 -3.53953 63.546000 Cu 0.270228 0.724722 1 297 63.546 0.000121422 -3.53966 63.546000 Cu 0.352076 0.700072 1 261 63.546 0.000227255 -3.54037 63.546000 Cu 0.360417 0.722609 1.19796e-19 262 63.546 0.000337599 -3.53992 63.546000 Cu 0.401287 0.710318 0.5 263 63.546 0.000102977 -3.5403 63.546000 Cu 0.311139 0.712403 0.5 264 63.546 7.237e-05 -3.53982 63.546000 Cu 0.409574 0.73287 0.5 268 63.546 0.000219935 -3.54015 63.546000 Cu 0.540612 0.718612 2.39592e-19 228 63.546 3.86871e-05 -3.54012 63.546000 Cu 0.491384 0.708313 0.5 230 63.546 6.06667e-05 -3.54023 63.546000 Cu 0.45053 0.720585 1.46151e-16 265 63.546 0.000119314 -3.54007 63.546000 Cu 0.499738 0.730876 0.5 267 63.546 0.000229721 -3.54017 63.546000 Cu 0.671755 0.704335 0.5 196 63.546 0.000147677 -3.53968 63.546000 Cu 0.581555 0.706359 0.5 229 63.546 0.000127699 -3.54008 63.546000 Cu 0.630799 0.716619 0 231 63.546 0.000155866 -3.53992 63.546000 Cu 0.680019 0.726841 0.5 233 63.546 0.000138079 -3.53985 63.546000 Cu 0.589855 0.728902 0.5 234 63.546 0.00028007 -3.53999 63.546000 Cu 0.720962 0.714539 1 194 63.546 5.91694e-05 -3.53953 63.546000 Cu 0.761913 0.702228 0.5 195 63.546 7.06856e-05 -3.53973 63.546000 Cu 0.811139 0.712403 0 197 63.546 7.237e-05 -3.53982 63.546000 Cu 0.770228 0.724722 0.5 200 63.546 0.000121422 -3.53966 63.546000 Cu 0.852076 0.700072 0.5 164 63.546 0.000227255 -3.54037 63.546000 Cu 0.991384 0.708313 1 165 63.546 6.06667e-05 -3.54023 63.546000 Cu 0.999738 0.730876 8.62531e-18 166 63.546 0.000229721 -3.54017 63.546000 Cu 0.901287 0.710318 1.23869e-16 162 63.546 0.000102977 -3.5403 63.546000 Cu 0.95053 0.720585 0.5 168 63.546 0.000119314 -3.54007 63.546000 Cu 0.860417 0.722609 0.5 199 63.546 0.000337599 -3.53992 63.546000 Cu 0.909574 0.73287 2.92302e-17 201 63.546 0.000219935 -3.54015 63.546000 Cu 0.0978787 0.751436 3.59388e-19 170 63.546 8.44573e-05 -3.53987 63.546000 Cu 0.0488008 0.741172 0.5 172 63.546 8.57698e-05 -3.54005 63.546000 Cu 0.00772829 0.753445 2.85114e-17 205 63.546 3.32996e-05 -3.54039 63.546000 Cu 0.0568154 0.763727 0.5 207 63.546 8.56972e-05 -3.54023 63.546000 Cu 0.138974 0.73914 0.5 171 63.546 0.000110916 -3.53988 63.546000 Cu 0.14697 0.761675 0.5 173 63.546 8.29279e-05 -3.54006 63.546000 Cu 0.22918 0.737037 0.5 300 63.546 0.000112361 -3.53999 63.546000 Cu 0.188035 0.749359 1.38963e-17 336 63.546 7.19719e-05 -3.5401 63.546000 Cu 0.237117 0.759557 0.5 338 63.546 5.06069e-05 -3.53963 63.546000 Cu 0.278238 0.747222 1.03024e-17 298 63.546 6.88358e-05 -3.5397 63.546000 Cu 0.319392 0.734911 0.5 299 63.546 0.000299664 -3.53972 63.546000 Cu 0.368414 0.745143 1 301 63.546 0.000156447 -3.53994 63.546000 Cu 0.327299 0.757428 0.5 304 63.546 0.000264935 -3.53972 63.546000 Cu 0.41751 0.755414 0.5 303 63.546 9.12557e-05 -3.54023 63.546000 Cu 0.45864 0.743151 1 266 63.546 2.29566e-05 -3.54051 63.546000 Cu 0.548801 0.741172 2.04611e-16 269 63.546 8.57698e-05 -3.54005 63.546000 Cu 0.507728 0.753445 0.5 272 63.546 3.32996e-05 -3.54039 63.546000 Cu 0.466662 0.765713 0 305 63.546 4.32878e-05 -3.54024 63.546000 Cu 0.556815 0.763727 1 270 63.546 8.56972e-05 -3.54023 63.546000 Cu 0.638974 0.73914 1.54297e-16 232 63.546 0.000110916 -3.53988 63.546000 Cu 0.688035 0.749359 0.5 238 63.546 7.19719e-05 -3.5401 63.546000 Cu 0.597879 0.751436 0.5 271 63.546 8.44573e-05 -3.53987 63.546000 Cu 0.64697 0.761675 1.2339e-16 273 63.546 8.29279e-05 -3.54006 63.546000 Cu 0.819392 0.734911 1 198 63.546 0.000299664 -3.53972 63.546000 Cu 0.72918 0.737037 1 235 63.546 0.000112361 -3.53999 63.546000 Cu 0.737117 0.759557 3.59388e-19 236 63.546 5.06069e-05 -3.53963 63.546000 Cu 0.778238 0.747222 0.5 237 63.546 6.88358e-05 -3.5397 63.546000 Cu 0.827299 0.757428 3.59388e-19 239 63.546 0.000264935 -3.53972 63.546000 Cu 0.91751 0.755414 1.60527e-16 202 63.546 9.12557e-05 -3.54023 63.546000 Cu 0.95864 0.743151 0.5 203 63.546 2.29566e-05 -3.54051 63.546000 Cu 0.868414 0.745143 0.5 204 63.546 0.000156447 -3.53994 63.546000 Cu 0.966662 0.765713 0.5 208 63.546 4.32878e-05 -3.54024 63.546000 Cu 0.0157778 0.77602 1.8209e-17 206 63.546 0.000220157 -3.54029 63.546000 Cu 0.105935 0.773987 1 209 63.546 8.63985e-05 -3.54029 63.546000 Cu 0.114106 0.796556 4.30067e-17 210 63.546 0.000234377 -3.54026 63.546000 Cu 0.0649379 0.786302 0.5 212 63.546 0.000225963 -3.54037 63.546000 Cu 0.0240514 0.7986 1.68673e-16 247 63.546 0.000370799 -3.5403 63.546000 Cu 0.155047 0.784223 0.5 211 63.546 0.000193981 -3.54006 63.546000 Cu 0.196084 0.771889 7.53516e-17 337 63.546 0.000114484 -3.53972 63.546000 Cu 0.24517 0.782053 0.5 342 63.546 0.000143296 -3.53952 63.546000 Cu 0.204191 0.794413 1.89278e-17 378 63.546 0.000199185 -3.53972 63.546000 Cu 0.376459 0.767672 0 302 63.546 0.000178562 -3.53993 63.546000 Cu 0.28623 0.769729 1 339 63.546 0.000210376 -3.5395 63.546000 Cu 0.294376 0.792223 1.34531e-16 340 63.546 0.000491918 -3.53965 63.546000 Cu 0.335408 0.779933 0.5 341 63.546 0.000394243 -3.53988 63.546000 Cu 0.38463 0.790194 0 343 63.546 0.000282828 -3.53994 63.546000 Cu 0.425634 0.777958 0.5 308 63.546 7.22256e-05 -3.53993 63.546000 Cu 0.474814 0.788277 1 306 63.546 0.000130758 -3.5401 63.546000 Cu 0.515778 0.77602 0.5 307 63.546 0.000220157 -3.54029 63.546000 Cu 0.524051 0.7986 0.5 312 63.546 0.000370799 -3.5403 63.546000 Cu 0.564938 0.786302 1 309 63.546 0.000225963 -3.54037 63.546000 Cu 0.655047 0.784223 1.86043e-16 274 63.546 0.000193981 -3.54006 63.546000 Cu 0.696084 0.771889 0.5 275 63.546 0.000114484 -3.53972 63.546000 Cu 0.605935 0.773987 0.5 276 63.546 8.63985e-05 -3.54029 63.546000 Cu 0.614106 0.796556 0.5 311 63.546 0.000234377 -3.54026 63.546000 Cu 0.704191 0.794413 0.5 280 63.546 0.000199185 -3.53972 63.546000 Cu 0.835408 0.779933 3.59388e-19 240 63.546 0.000394243 -3.53988 63.546000 Cu 0.78623 0.769729 0.5 242 63.546 0.000210376 -3.5395 63.546000 Cu 0.74517 0.782053 1 277 63.546 0.000143296 -3.53952 63.546000 Cu 0.794376 0.792223 0.5 279 63.546 0.000491918 -3.53965 63.546000 Cu 0.876459 0.767672 0.5 241 63.546 0.000178562 -3.53993 63.546000 Cu 0.925634 0.777958 1 243 63.546 7.22256e-05 -3.53993 63.546000 Cu 0.974814 0.788277 0.5 245 63.546 0.000130758 -3.5401 63.546000 Cu 0.88463 0.790194 0.5 246 63.546 0.000282828 -3.53994 63.546000 Cu 0.0325518 0.821204 3.11469e-16 248 63.546 0.000642688 -3.54038 63.546000 Cu 0.0732799 0.8089 0.5 249 63.546 0.000538321 -3.54041 63.546000 Cu 0.122508 0.819152 5.63041e-17 251 63.546 0.000702336 -3.54038 63.546000 Cu 0.081835 0.831534 0.5 254 63.546 0.00157115 -3.54062 63.546000 Cu 0.163276 0.806774 0.5 213 63.546 0.000430183 -3.53993 63.546000 Cu 0.171761 0.829314 0.5 253 63.546 0.000515335 -3.53981 63.546000 Cu 0.212552 0.816912 3.00688e-17 379 63.546 0.000201749 -3.53932 63.546000 Cu 0.253433 0.804547 0.5 380 63.546 0.000295581 -3.53942 63.546000 Cu 0.261925 0.826999 0.5 384 63.546 0.000812764 -3.5389 63.546000 Cu 0.393036 0.812711 1.87001e-16 344 63.546 0.000339538 -3.53973 63.546000 Cu 0.343665 0.802429 0.5 346 63.546 0.000732385 -3.53956 63.546000 Cu 0.302796 0.814687 1 381 63.546 0.0010535 -3.53924 63.546000 Cu 0.352205 0.824907 0.5 383 63.546 0.0010203 -3.53945 63.546000 Cu 0.433897 0.800505 0.5 345 63.546 0.000128888 -3.54011 63.546000 Cu 0.483219 0.810854 3.59388e-19 347 63.546 0.000236369 -3.54016 63.546000 Cu 0.532552 0.821204 0.5 349 63.546 0.000642688 -3.54038 63.546000 Cu 0.442438 0.823059 0.5 350 63.546 0.000110574 -3.53979 63.546000 Cu 0.57328 0.8089 1.52141e-17 310 63.546 0.000538321 -3.54041 63.546000 Cu 0.663276 0.806774 1.08415e-16 313 63.546 0.000430183 -3.53993 63.546000 Cu 0.671761 0.829314 1.20994e-16 314 63.546 0.000515335 -3.53981 63.546000 Cu 0.622508 0.819152 0.5 316 63.546 0.000702336 -3.54038 63.546000 Cu 0.581835 0.831534 2.71937e-16 351 63.546 0.00157115 -3.54062 63.546000 Cu 0.712552 0.816912 0.5 315 63.546 0.000201749 -3.53932 63.546000 Cu 0.753433 0.804547 3.59388e-19 278 63.546 0.000295581 -3.53942 63.546000 Cu 0.802796 0.814687 0.5 284 63.546 0.0010535 -3.53924 63.546000 Cu 0.761925 0.826999 9.10449e-18 317 63.546 0.000812764 -3.5389 63.546000 Cu 0.843665 0.802429 5.9898e-19 281 63.546 0.000732385 -3.53956 63.546000 Cu 0.852205 0.824907 1 282 63.546 0.0010203 -3.53945 63.546000 Cu 0.933897 0.800505 3.59388e-19 244 63.546 0.000128888 -3.54011 63.546000 Cu 0.983219 0.810854 0.5 250 63.546 0.000236369 -3.54016 63.546000 Cu 0.893036 0.812711 0.5 283 63.546 0.000339538 -3.53973 63.546000 Cu 0.942438 0.823059 1.62443e-16 285 63.546 0.000110574 -3.53979 63.546000 Cu 0.0411328 0.84385 1 289 63.546 0.00160291 -3.54044 63.546000 Cu 0.0902913 0.854197 0.5 291 63.546 0.0034789 -3.54079 63.546000 Cu 0.00036492 0.856088 0.5 292 63.546 0.00125244 -3.54025 63.546000 Cu 0.131029 0.841767 1 252 63.546 0.00185045 -3.54045 63.546000 Cu 0.139348 0.864394 3.49804e-17 293 63.546 0.00346771 -3.54049 63.546000 Cu 0.0494909 0.866552 1 290 63.546 0.00378767 -3.5408 63.546000 Cu 0.18019 0.851853 0.5 255 63.546 0.000787672 -3.53953 63.546000 Cu 0.22106 0.839372 6.93618e-17 416 63.546 0.000701308 -3.53889 63.546000 Cu 0.229329 0.86181 0 417 63.546 0.00219562 -3.53807 63.546000 Cu 0.270376 0.84941 0.5 418 63.546 0.00274724 -3.53832 63.546000 Cu 0.31134 0.837127 1 382 63.546 0.00197347 -3.53903 63.546000 Cu 0.401667 0.835222 0 385 63.546 0.000476295 -3.5396 63.546000 Cu 0.410153 0.857735 1 386 63.546 0.000813073 -3.5396 63.546000 Cu 0.360773 0.847371 0.5 388 63.546 0.00157092 -3.53938 63.546000 Cu 0.31971 0.859528 2.53967e-17 419 63.546 0.00399022 -3.53847 63.546000 Cu 0.491825 0.833449 3.78555e-17 348 63.546 0.000443401 -3.54007 63.546000 Cu 0.541133 0.84385 0.5 354 63.546 0.00160291 -3.54044 63.546000 Cu 0.45108 0.845623 0.5 387 63.546 0.000407437 -3.53987 63.546000 Cu 0.500365 0.856088 0 389 63.546 0.00125244 -3.54025 63.546000 Cu 0.549491 0.866552 0.5 391 63.546 0.00378767 -3.5408 63.546000 Cu 0.590291 0.854197 9.16439e-17 352 63.546 0.0034789 -3.54079 63.546000 Cu 0.631029 0.841767 0.5 353 63.546 0.00185045 -3.54045 63.546000 Cu 0.68019 0.851853 0 355 63.546 0.000787672 -3.53953 63.546000 Cu 0.639348 0.864394 0.5 358 63.546 0.00346771 -3.54049 63.546000 Cu 0.770376 0.84941 1.19796e-19 318 63.546 0.00274724 -3.53832 63.546000 Cu 0.81134 0.837127 0.5 319 63.546 0.00197347 -3.53903 63.546000 Cu 0.72106 0.839372 0.5 320 63.546 0.000701308 -3.53889 63.546000 Cu 0.81971 0.859528 0.5 324 63.546 0.00399022 -3.53847 63.546000 Cu 0.729329 0.86181 0.5 357 63.546 0.00219562 -3.53807 63.546000 Cu 0.991825 0.833449 0.5 287 63.546 0.000443401 -3.54007 63.546000 Cu 0.95108 0.845623 0 286 63.546 0.000407437 -3.53987 63.546000 Cu 0.901667 0.835222 0.5 288 63.546 0.000476295 -3.5396 63.546000 Cu 0.860773 0.847371 9.76337e-17 321 63.546 0.00157092 -3.53938 63.546000 Cu 0.910153 0.857735 0.5 323 63.546 0.000813073 -3.5396 63.546000 Cu 0.0985138 0.876926 0.5 295 63.546 0.00781862 -3.54113 63.546000 Cu 0.00866394 0.87878 0.5 327 63.546 0.0029032 -3.5401 63.546000 Cu 0.0577576 0.889328 1 329 63.546 0.00892626 -3.54064 63.546000 Cu 0.106716 0.899738 0.5 331 63.546 0.0169201 -3.54102 63.546000 Cu 0.147439 0.887075 1 294 63.546 0.00699479 -3.54034 63.546000 Cu 0.188304 0.874389 0.5 446 63.546 0.00135771 -3.53893 63.546000 Cu 0.23731 0.884211 8.39769e-17 447 63.546 0.0063043 -3.53633 63.546000 Cu 0.196232 0.896946 0.5 450 63.546 0.00375357 -3.53772 63.546000 Cu 0.278523 0.871773 0.5 422 63.546 0.00692378 -3.5373 63.546000 Cu 0.327826 0.88187 2.32404e-16 420 63.546 0.00828504 -3.53775 63.546000 Cu 0.369088 0.869803 0.5 421 63.546 0.00274967 -3.5389 63.546000 Cu 0.377231 0.892199 0.5 426 63.546 0.00443941 -3.53854 63.546000 Cu 0.286495 0.894056 0.5 449 63.546 0.0176797 -3.53503 63.546000 Cu 0.41841 0.880242 3.59388e-19 423 63.546 0.00117727 -3.53925 63.546000 Cu 0.508664 0.87878 6.80441e-17 390 63.546 0.0029032 -3.5401 63.546000 Cu 0.45947 0.86822 0.5 392 63.546 0.00073297 -3.53982 63.546000 Cu 0.467714 0.890836 0.5 425 63.546 0.00120869 -3.53935 63.546000 Cu 0.557758 0.889328 0.5 396 63.546 0.00892626 -3.54064 63.546000 Cu 0.688304 0.874389 1.02785e-16 356 63.546 0.00135771 -3.53893 63.546000 Cu 0.598514 0.876926 3.00688e-17 393 63.546 0.00781862 -3.54113 63.546000 Cu 0.606716 0.899738 3.00688e-17 394 63.546 0.0169201 -3.54102 63.546000 Cu 0.647439 0.887075 0.5 395 63.546 0.00699479 -3.54034 63.546000 Cu 0.696232 0.896946 1.22312e-16 397 63.546 0.00375357 -3.53772 63.546000 Cu 0.778523 0.871773 2.43186e-17 359 63.546 0.00692378 -3.5373 63.546000 Cu 0.786495 0.894056 3.25845e-17 360 63.546 0.0176797 -3.53503 63.546000 Cu 0.827826 0.88187 0.5 361 63.546 0.00828504 -3.53775 63.546000 Cu 0.73731 0.884211 0.5 362 63.546 0.0063043 -3.53633 63.546000 Cu 0.869088 0.869803 1 322 63.546 0.00274967 -3.5389 63.546000 Cu 0.95947 0.86822 1.22551e-16 325 63.546 0.00073297 -3.53982 63.546000 Cu 0.967714 0.890836 1.4064e-16 326 63.546 0.00120869 -3.53935 63.546000 Cu 0.91841 0.880242 0.5 328 63.546 0.00117727 -3.53925 63.546000 Cu 0.877231 0.892199 3.78555e-17 363 63.546 0.00443941 -3.53854 63.546000 Cu 0.0660844 0.912187 1 330 63.546 0.0178037 -3.53989 63.546000 Cu 0.0169386 0.901516 0.5 332 63.546 0.00546312 -3.53948 63.546000 Cu 0.114986 0.922705 0.5 335 63.546 0.0394394 -3.5402 63.546000 Cu 0.025345 0.924307 0.5 369 63.546 0.00850006 -3.5375 63.546000 Cu 0.1555 0.909856 0 333 63.546 0.0180906 -3.53992 63.546000 Cu 0.163644 0.932843 4.55224e-18 334 63.546 0.0584749 -3.53761 63.546000 Cu 0.24513 0.906526 2.44743e-16 448 63.546 0.0214813 -3.53127 63.546000 Cu 0.204019 0.919556 0.5 470 63.546 0.0147905 -3.5344 63.546000 Cu 0.25282 0.928645 1.53818e-16 471 63.546 0.094351 -3.51579 63.546000 Cu 0.335903 0.904143 0 451 63.546 0.0156235 -3.53653 63.546000 Cu 0.344046 0.92631 1.53459e-16 452 63.546 0.0255098 -3.53516 63.546000 Cu 0.385414 0.914557 0.5 453 63.546 0.00602011 -3.53773 63.546000 Cu 0.294419 0.916187 0.5 454 63.546 0.0494123 -3.53038 63.546000 Cu 0.426637 0.902746 1.19796e-19 424 63.546 0.00166211 -3.5388 63.546000 Cu 0.516939 0.901516 1 427 63.546 0.00546312 -3.53948 63.546000 Cu 0.525345 0.924307 0 428 63.546 0.00850006 -3.5375 63.546000 Cu 0.476023 0.913476 0.5 430 63.546 0.00209022 -3.53834 63.546000 Cu 0.434976 0.925241 2.55165e-17 455 63.546 0.00220844 -3.53742 63.546000 Cu 0.566084 0.912187 0.5 429 63.546 0.0178037 -3.53989 63.546000 Cu 0.6555 0.909856 0.5 400 63.546 0.0180906 -3.53992 63.546000 Cu 0.614986 0.922705 1 431 63.546 0.0394394 -3.5402 63.546000 Cu 0.663644 0.932843 0.5 433 63.546 0.0584749 -3.53761 63.546000 Cu 0.704019 0.919556 1.22791e-16 398 63.546 0.0147905 -3.5344 63.546000 Cu 0.835903 0.904143 0.5 366 63.546 0.0156235 -3.53653 63.546000 Cu 0.74513 0.906526 0.5 399 63.546 0.0214813 -3.53127 63.546000 Cu 0.794419 0.916187 1 401 63.546 0.0494123 -3.53038 63.546000 Cu 0.75282 0.928645 0.5 404 63.546 0.094351 -3.51579 63.546000 Cu 0.844046 0.92631 0.5 403 63.546 0.0255098 -3.53516 63.546000 Cu 0.885414 0.914557 1 364 63.546 0.00602011 -3.53773 63.546000 Cu 0.926637 0.902746 0.5 365 63.546 0.00166211 -3.5388 63.546000 Cu 0.976023 0.913476 1 367 63.546 0.00209022 -3.53834 63.546000 Cu 0.934976 0.925241 0.5 370 63.546 0.00220844 -3.53742 63.546000 Cu 0.0745848 0.935172 8.8649e-18 371 63.546 0.031123 -3.53684 63.546000 Cu 0.0833062 0.958335 2.39592e-19 372 63.546 0.0573748 -3.52583 63.546000 Cu 0.123465 0.945951 0.5 373 63.546 0.0969865 -3.53197 63.546000 Cu 0.0339595 0.947174 0.5 374 63.546 0.0114759 -3.53206 63.546000 Cu 0.17222 0.956216 3.59388e-18 375 63.546 0.260435 -3.51118 63.546000 Cu 0.260539 0.950335 1 472 63.546 0.520951 -3.4669 63.546000 Cu 0.211539 0.942355 0.5 474 63.546 0.0838951 -3.51749 63.546000 Cu 0.218818 0.965713 0.5 484 63.546 5.64742 -3.41669 63.546000 Cu 0.393775 0.936856 0.5 458 63.546 0.00677518 -3.53701 63.546000 Cu 0.302324 0.938099 0.5 473 63.546 0.139792 -3.52271 63.546000 Cu 0.352402 0.948361 1 475 63.546 0.0307372 -3.53452 63.546000 Cu 0.402097 0.959127 0.5 477 63.546 0.0206563 -3.53646 63.546000 Cu 0.31083 0.959728 0.5 478 63.546 0.428207 -3.50178 63.546000 Cu 0.443486 0.94772 1 456 63.546 0.00423802 -3.53549 63.546000 Cu 0.48452 0.936132 0.5 457 63.546 0.00319397 -3.53582 63.546000 Cu 0.533959 0.947174 1.34171e-16 459 63.546 0.0114759 -3.53206 63.546000 Cu 0.492903 0.958805 0.5 462 63.546 0.0169089 -3.53363 63.546000 Cu 0.623465 0.945951 4.73194e-17 432 63.546 0.0969865 -3.53197 63.546000 Cu 0.574585 0.935172 0.5 434 63.546 0.031123 -3.53684 63.546000 Cu 0.67222 0.956216 0.5 438 63.546 0.260435 -3.51118 63.546000 Cu 0.583306 0.958335 0.5 461 63.546 0.0573748 -3.52583 63.546000 Cu 0.711539 0.942355 1 435 63.546 0.0838951 -3.51749 63.546000 Cu 0.802324 0.938099 1 402 63.546 0.139792 -3.52271 63.546000 Cu 0.718818 0.965713 3.00688e-17 436 63.546 5.64742 -3.41669 63.546000 Cu 0.760539 0.950335 0.5 437 63.546 0.520951 -3.4669 63.546000 Cu 0.81083 0.959728 1.85684e-17 439 63.546 0.428207 -3.50178 63.546000 Cu 0.852402 0.948361 0.5 408 63.546 0.0307372 -3.53452 63.546000 Cu 0.992903 0.958805 1.15843e-16 409 63.546 0.0169089 -3.53363 63.546000 Cu 0.98452 0.936132 1 368 63.546 0.00319397 -3.53582 63.546000 Cu 0.893775 0.936856 5.65437e-17 405 63.546 0.00677518 -3.53701 63.546000 Cu 0.902097 0.959127 3.34231e-17 406 63.546 0.0206563 -3.53646 63.546000 Cu 0.943486 0.94772 0.5 407 63.546 0.00423802 -3.53549 63.546000 Cu 0.0416372 0.970076 0.5 411 63.546 0.0620711 -3.5318 63.546000 Cu 0.0893868 0.981472 2.16831e-16 413 63.546 0.201543 -3.52165 63.546000 Cu 0.0416364 0.992901 0.5 415 63.546 0.0612102 -3.53156 63.546000 Cu 0.132386 0.969698 0.5 377 63.546 0.350895 -3.49808 63.546000 Cu 0.132405 0.993216 0.5 414 63.546 0.356576 -3.49731 63.546000 Cu 0.184255 0.981438 1 376 63.546 4.54668 -3.52176 63.546000 Cu 0.270115 0.971237 1.22312e-16 485 63.546 7.14395 -3.2607 63.546000 Cu 0.218813 0.997168 0.5 488 63.546 5.62577 -3.41652 63.546000 Cu 0.270174 0.991671 1 486 63.546 7.16586 -3.26022 63.546000 Cu 0.360084 0.970407 1 476 63.546 0.0838155 -3.5349 63.546000 Cu 0.40631 0.981487 0.5 482 63.546 0.0692896 -3.54293 63.546000 Cu 0.31539 0.981461 0.5 487 63.546 3.28694 -3.46918 63.546000 Cu 0.360114 0.992543 1 489 63.546 0.0869474 -3.53459 63.546000 Cu 0.541637 0.970076 0 460 63.546 0.0620711 -3.5318 63.546000 Cu 0.450671 0.970234 1.19796e-19 479 63.546 0.0549174 -3.53846 63.546000 Cu 0.450667 0.992755 1.19796e-19 480 63.546 0.0546414 -3.53813 63.546000 Cu 0.497461 0.9815 0.5 481 63.546 0.0894814 -3.54145 63.546000 Cu 0.541636 0.992901 1 483 63.546 0.0612102 -3.53156 63.546000 Cu 0.632386 0.969698 1.86882e-16 463 63.546 0.350895 -3.49808 63.546000 Cu 0.632405 0.993216 0 464 63.546 0.356576 -3.49731 63.546000 Cu 0.684255 0.981438 0.5 465 63.546 4.54668 -3.52176 63.546000 Cu 0.589387 0.981472 0.5 466 63.546 0.201543 -3.52165 63.546000 Cu 0.81539 0.981461 3.00688e-17 440 63.546 3.28694 -3.46918 63.546000 Cu 0.770115 0.971237 0.5 442 63.546 7.14395 -3.2607 63.546000 Cu 0.718813 0.997168 3.92811e-16 467 63.546 5.62577 -3.41652 63.546000 Cu 0.770174 0.991671 0.5 468 63.546 7.16586 -3.26022 63.546000 Cu 0.997461 0.9815 0 410 63.546 0.0894814 -3.54145 63.546000 Cu 0.950671 0.970234 0.5 412 63.546 0.0549174 -3.53846 63.546000 Cu 0.860084 0.970407 0.5 441 63.546 0.0838155 -3.5349 63.546000 Cu 0.90631 0.981487 1 443 63.546 0.0692896 -3.54293 63.546000 Cu 0.950667 0.992755 0.5 444 63.546 0.0546414 -3.53813 63.546000 Cu 0.860114 0.992543 0.5 445 63.546 0.0869474 -3.53459