Number of particles = 900 A = 1 Angstrom (basic length-scale) H0(1,1) = 38.4613 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 76.9695 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61397 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 63.540000 Cu 0.0250938 0.0411924 1 480 63.54 0.00193923 -3.53749 63.540000 Cu 0.029067 0.00780868 1 483 63.54 0.0102374 -3.5382 63.540000 Cu 0.0957786 0.00809507 1.20001e-19 484 63.54 0.012775 -3.5366 63.540000 Cu 0.0604772 0.0247095 0.5 485 63.54 0.00434505 -3.5371 63.540000 Cu 0.0914232 0.0418621 3.81604e-17 505 63.54 0.00643948 -3.53613 63.540000 Cu 0.157263 0.0433002 1 506 63.54 0.0294926 -3.53156 63.540000 Cu 0.126797 0.0253341 0.5 507 63.54 0.0235314 -3.53276 63.540000 Cu 0.16242 0.00868537 1 509 63.54 0.106848 -3.52487 63.540000 Cu 0.192129 0.027462 0.5 511 63.54 0.0630608 -3.51838 63.540000 Cu 0.22701 0.0123557 1 510 63.54 0.244302 -3.48047 63.540000 Cu 0.257113 0.0321239 0.5 541 63.54 0.116792 -3.51303 63.540000 Cu 0.292871 0.0202477 1 543 63.54 0.494862 -3.48096 63.540000 Cu 0.222597 0.0466967 1.78682e-16 539 63.54 0.0313414 -3.52931 63.540000 Cu 0.360333 0.0229775 5.58006e-17 544 63.54 0.0315538 -3.53244 63.540000 Cu 0.328676 0.00606343 0.5 545 63.54 0.320818 -3.50643 63.540000 Cu 0.324356 0.0379536 0.5 546 63.54 0.102961 -3.52569 63.540000 Cu 0.395667 0.00719558 0.5 547 63.54 0.0151429 -3.53588 63.540000 Cu 0.391627 0.0398135 0.5 583 63.54 0.00995041 -3.53593 63.540000 Cu 0.427266 0.0238414 2.45042e-16 585 63.54 0.006579 -3.53724 63.540000 Cu 0.493937 0.024295 1.22401e-16 586 63.54 0.00432229 -3.53787 63.540000 Cu 0.462368 0.00754321 0.5 587 63.54 0.00942559 -3.53828 63.540000 Cu 0.458509 0.0406197 0.5 588 63.54 0.00252269 -3.53756 63.540000 Cu 0.529067 0.00780868 0.5 589 63.54 0.0102374 -3.5382 63.540000 Cu 0.525094 0.0411924 0.5 633 63.54 0.00193923 -3.53749 63.540000 Cu 0.560477 0.0247095 1.22521e-16 635 63.54 0.00434505 -3.5371 63.540000 Cu 0.595779 0.00809507 0.5 637 63.54 0.012775 -3.5366 63.540000 Cu 0.591423 0.0418621 0.5 638 63.54 0.00643948 -3.53613 63.540000 Cu 0.626797 0.0253341 0 636 63.54 0.0235314 -3.53276 63.540000 Cu 0.66242 0.00868537 0.5 639 63.54 0.106848 -3.52487 63.540000 Cu 0.657263 0.0433002 0.5 691 63.54 0.0294926 -3.53156 63.540000 Cu 0.692129 0.027462 1 693 63.54 0.0630608 -3.51838 63.540000 Cu 0.792871 0.0202477 0.5 457 63.54 0.494862 -3.48096 63.540000 Cu 0.757113 0.0321239 1 694 63.54 0.116792 -3.51303 63.540000 Cu 0.72701 0.0123557 0.5 695 63.54 0.244302 -3.48047 63.540000 Cu 0.722597 0.0466967 0.5 696 63.54 0.0313414 -3.52931 63.540000 Cu 0.828676 0.00606343 1.45441e-16 456 63.54 0.320818 -3.50643 63.540000 Cu 0.824356 0.0379536 4.59605e-17 461 63.54 0.102961 -3.52569 63.540000 Cu 0.891627 0.0398135 2.87043e-16 462 63.54 0.00995041 -3.53593 63.540000 Cu 0.860333 0.0229775 0.5 463 63.54 0.0315538 -3.53244 63.540000 Cu 0.895667 0.00719558 2.44922e-16 465 63.54 0.0151429 -3.53588 63.540000 Cu 0.962368 0.00754321 1 466 63.54 0.00942559 -3.53828 63.540000 Cu 0.927266 0.0238414 0.5 467 63.54 0.006579 -3.53724 63.540000 Cu 0.958509 0.0406197 1 479 63.54 0.00252269 -3.53756 63.540000 Cu 0.993937 0.024295 0.5 481 63.54 0.00432229 -3.53787 63.540000 Cu 0.0203975 0.0745662 1 501 63.54 0.000833258 -3.53789 63.540000 Cu 0.0866433 0.0755914 1.20001e-19 502 63.54 0.00455688 -3.53737 63.540000 Cu 0.0559561 0.0582747 0.5 503 63.54 0.00210997 -3.53726 63.540000 Cu 0.0511508 0.091784 0.5 504 63.54 0.00151855 -3.5381 63.540000 Cu 0.122026 0.0594025 0.5 508 63.54 0.0118411 -3.53566 63.540000 Cu 0.117255 0.0932102 0.5 533 63.54 0.00704468 -3.53778 63.540000 Cu 0.152558 0.0773489 1.80002e-18 535 63.54 0.0140186 -3.53642 63.540000 Cu 0.187648 0.0617642 0.5 537 63.54 0.021357 -3.53365 63.540000 Cu 0.218261 0.0804836 0 536 63.54 0.0101787 -3.53598 63.540000 Cu 0.288565 0.0521487 0 540 63.54 0.0854845 -3.52183 63.540000 Cu 0.253266 0.0657677 0.5 542 63.54 0.0190304 -3.53174 63.540000 Cu 0.284385 0.0847227 1 577 63.54 0.0175738 -3.53455 63.540000 Cu 0.351269 0.0878531 1 578 63.54 0.0144794 -3.53718 63.540000 Cu 0.319985 0.0702295 0.5 579 63.54 0.0348915 -3.53382 63.540000 Cu 0.35583 0.0553186 1 581 63.54 0.0241206 -3.53475 63.540000 Cu 0.387046 0.0724665 0.5 584 63.54 0.00822951 -3.53742 63.540000 Cu 0.42285 0.0567043 0 582 63.54 0.00365996 -3.53755 63.540000 Cu 0.418132 0.0895911 1.86602e-16 627 63.54 0.00313757 -3.53843 63.540000 Cu 0.484778 0.0907347 0 628 63.54 0.000662774 -3.53835 63.540000 Cu 0.453875 0.0736701 0.5 629 63.54 0.00150436 -3.53809 63.540000 Cu 0.489538 0.0575263 1.20001e-19 631 63.54 0.00109091 -3.53774 63.540000 Cu 0.555956 0.0582747 1.28401e-16 632 63.54 0.00210997 -3.53726 63.540000 Cu 0.520397 0.0745662 0.5 634 63.54 0.000833258 -3.53789 63.540000 Cu 0.551151 0.091784 2.44802e-17 685 63.54 0.00151855 -3.5381 63.540000 Cu 0.586643 0.0755914 0.5 687 63.54 0.00455688 -3.53737 63.540000 Cu 0.617255 0.0932102 1.52522e-16 686 63.54 0.00704468 -3.53778 63.540000 Cu 0.622026 0.0594025 0 689 63.54 0.0118411 -3.53566 63.540000 Cu 0.687648 0.0617642 4.82405e-17 690 63.54 0.021357 -3.53365 63.540000 Cu 0.652558 0.0773489 0.5 692 63.54 0.0140186 -3.53642 63.540000 Cu 0.788565 0.0521487 0.5 459 63.54 0.0854845 -3.52183 63.540000 Cu 0.784385 0.0847227 0.5 460 63.54 0.0175738 -3.53455 63.540000 Cu 0.718261 0.0804836 0.5 749 63.54 0.0101787 -3.53598 63.540000 Cu 0.753266 0.0657677 1 751 63.54 0.0190304 -3.53174 63.540000 Cu 0.819985 0.0702295 2.82003e-17 458 63.54 0.0348915 -3.53382 63.540000 Cu 0.85583 0.0553186 0.5 464 63.54 0.0241206 -3.53475 63.540000 Cu 0.851269 0.0878531 0.5 473 63.54 0.0144794 -3.53718 63.540000 Cu 0.887046 0.0724665 2.44682e-16 475 63.54 0.00822951 -3.53742 63.540000 Cu 0.953875 0.0736701 1.21801e-16 476 63.54 0.00150436 -3.53809 63.540000 Cu 0.92285 0.0567043 0.5 477 63.54 0.00365996 -3.53755 63.540000 Cu 0.918132 0.0895911 0.5 478 63.54 0.00313757 -3.53843 63.540000 Cu 0.989538 0.0575263 0.5 482 63.54 0.00109091 -3.53774 63.540000 Cu 0.984778 0.0907347 0.5 499 63.54 0.000662774 -3.53835 63.540000 Cu 0.0155876 0.107915 1 498 63.54 0.000515956 -3.53853 63.540000 Cu 0.0463511 0.125232 0.5 529 63.54 0.00103067 -3.53876 63.540000 Cu 0.081852 0.109203 9.03609e-17 531 63.54 0.00301819 -3.53841 63.540000 Cu 0.0108011 0.141253 0 527 63.54 0.000254771 -3.53902 63.540000 Cu 0.0771117 0.142715 2.82003e-17 528 63.54 0.00181522 -3.53907 63.540000 Cu 0.147891 0.111109 1 532 63.54 0.00711949 -3.53835 63.540000 Cu 0.112553 0.126842 0.5 534 63.54 0.00418651 -3.53884 63.540000 Cu 0.183134 0.09561 0.5 538 63.54 0.00949693 -3.53741 63.540000 Cu 0.178597 0.129202 0.5 571 63.54 0.00491454 -3.53889 63.540000 Cu 0.21385 0.113999 2.08802e-17 573 63.54 0.00424425 -3.5383 63.540000 Cu 0.280053 0.117579 1.28761e-16 574 63.54 0.00436211 -3.53795 63.540000 Cu 0.249061 0.0991103 0.5 575 63.54 0.0043169 -3.53706 63.540000 Cu 0.244691 0.13236 0.5 576 63.54 0.00123627 -3.53871 63.540000 Cu 0.311116 0.135659 0.5 621 63.54 0.00549783 -3.53882 63.540000 Cu 0.315584 0.102828 0.5 580 63.54 0.0127395 -3.53736 63.540000 Cu 0.346705 0.120577 5.31605e-17 623 63.54 0.00768269 -3.53864 63.540000 Cu 0.382391 0.105239 0.5 625 63.54 0.00620795 -3.53862 63.540000 Cu 0.377739 0.138124 0.5 626 63.54 0.00405985 -3.53934 63.540000 Cu 0.413403 0.12255 1.20001e-19 624 63.54 0.00265746 -3.53913 63.540000 Cu 0.449084 0.106746 0.5 630 63.54 0.00127974 -3.53878 63.540000 Cu 0.444328 0.139859 0.5 679 63.54 0.00117007 -3.53927 63.540000 Cu 0.479971 0.123949 1 681 63.54 0.00045232 -3.53892 63.540000 Cu 0.510801 0.141253 0.5 684 63.54 0.000254771 -3.53902 63.540000 Cu 0.546351 0.125232 6.84007e-18 682 63.54 0.00103067 -3.53876 63.540000 Cu 0.515588 0.107915 0.5 683 63.54 0.000515956 -3.53853 63.540000 Cu 0.581852 0.109203 0.5 688 63.54 0.00301819 -3.53841 63.540000 Cu 0.577112 0.142715 0.5 741 63.54 0.00181522 -3.53907 63.540000 Cu 0.612553 0.126842 6.87607e-17 743 63.54 0.00418651 -3.53884 63.540000 Cu 0.678597 0.129202 0 744 63.54 0.00491454 -3.53889 63.540000 Cu 0.647891 0.111109 0.5 745 63.54 0.00711949 -3.53835 63.540000 Cu 0.683134 0.09561 1 747 63.54 0.00949693 -3.53741 63.540000 Cu 0.780053 0.117579 0.5 469 63.54 0.00436211 -3.53795 63.540000 Cu 0.749061 0.0991103 0 748 63.54 0.0043169 -3.53706 63.540000 Cu 0.71385 0.113999 0.5 750 63.54 0.00424425 -3.5383 63.540000 Cu 0.744691 0.13236 6.60007e-18 797 63.54 0.00123627 -3.53871 63.540000 Cu 0.811116 0.135659 1 468 63.54 0.00549783 -3.53882 63.540000 Cu 0.815584 0.102828 1.22521e-16 471 63.54 0.0127395 -3.53736 63.540000 Cu 0.882391 0.105239 2.82003e-17 472 63.54 0.00620795 -3.53862 63.540000 Cu 0.846705 0.120577 0.5 474 63.54 0.00768269 -3.53864 63.540000 Cu 0.877739 0.138124 1.58402e-17 493 63.54 0.00405985 -3.53934 63.540000 Cu 0.944328 0.139859 9.24009e-18 494 63.54 0.00117007 -3.53927 63.540000 Cu 0.913403 0.12255 0.5 495 63.54 0.00265746 -3.53913 63.540000 Cu 0.949084 0.106746 0 497 63.54 0.00127974 -3.53878 63.540000 Cu 0.979971 0.123949 0.5 500 63.54 0.00045232 -3.53892 63.540000 Cu 0.0416117 0.158636 0.5 530 63.54 0.000556886 -3.53917 63.540000 Cu 0.0724065 0.176121 0 565 63.54 0.00122553 -3.53943 63.540000 Cu 0.00606552 0.174554 0 524 63.54 7.97994e-05 -3.53931 63.540000 Cu 0.107865 0.160337 0.5 567 63.54 0.00255922 -3.53941 63.540000 Cu 0.138668 0.178095 2.82003e-17 566 63.54 0.00272305 -3.53969 63.540000 Cu 0.143281 0.144672 9.9601e-18 569 63.54 0.00416056 -3.53926 63.540000 Cu 0.174056 0.162628 0.5 572 63.54 0.00321409 -3.53952 63.540000 Cu 0.209389 0.147384 1.21201e-16 570 63.54 0.00215263 -3.53918 63.540000 Cu 0.204898 0.180683 3.07203e-17 615 63.54 0.00135102 -3.53956 63.540000 Cu 0.271185 0.183694 1 616 63.54 0.000501863 -3.53942 63.540000 Cu 0.24026 0.165558 0.5 617 63.54 0.000494144 -3.5393 63.540000 Cu 0.275642 0.150595 1 619 63.54 0.00135575 -3.53904 63.540000 Cu 0.306619 0.168627 0.5 622 63.54 0.00245329 -3.53942 63.540000 Cu 0.342138 0.153462 1 620 63.54 0.00404463 -3.53941 63.540000 Cu 0.337588 0.186485 1 673 63.54 0.00243161 -3.53975 63.540000 Cu 0.373125 0.171138 0.5 675 63.54 0.00313312 -3.53972 63.540000 Cu 0.404071 0.188691 1.20001e-19 674 63.54 0.00161107 -3.53978 63.540000 Cu 0.408705 0.155577 1.22641e-16 677 63.54 0.00188853 -3.53958 63.540000 Cu 0.475218 0.157183 1.22521e-16 678 63.54 0.000302082 -3.53929 63.540000 Cu 0.439643 0.173018 0.5 680 63.54 0.0010663 -3.53956 63.540000 Cu 0.470524 0.190419 1 735 63.54 0.000262345 -3.53947 63.540000 Cu 0.506066 0.174554 0.5 737 63.54 7.97994e-05 -3.53931 63.540000 Cu 0.541612 0.158636 8.55609e-17 739 63.54 0.000556886 -3.53917 63.540000 Cu 0.572406 0.176121 0.5 742 63.54 0.00122553 -3.53943 63.540000 Cu 0.607865 0.160337 1 740 63.54 0.00255922 -3.53941 63.540000 Cu 0.643281 0.144672 0.5 746 63.54 0.00416056 -3.53926 63.540000 Cu 0.638668 0.178095 0.5 791 63.54 0.00272305 -3.53969 63.540000 Cu 0.674056 0.162628 2.84403e-17 793 63.54 0.00321409 -3.53952 63.540000 Cu 0.709389 0.147384 0.5 795 63.54 0.00215263 -3.53918 63.540000 Cu 0.704898 0.180683 0.5 796 63.54 0.00135102 -3.53956 63.540000 Cu 0.775642 0.150595 0.5 470 63.54 0.00135575 -3.53904 63.540000 Cu 0.771185 0.183694 0.5 487 63.54 0.000501863 -3.53942 63.540000 Cu 0.74026 0.165558 5.62806e-17 794 63.54 0.000494144 -3.5393 63.540000 Cu 0.806619 0.168627 5.77206e-17 489 63.54 0.00245329 -3.53942 63.540000 Cu 0.873125 0.171138 1.99802e-16 490 63.54 0.00313312 -3.53972 63.540000 Cu 0.842138 0.153462 0.5 491 63.54 0.00404463 -3.53941 63.540000 Cu 0.837588 0.186485 0.5 492 63.54 0.00243161 -3.53975 63.540000 Cu 0.908705 0.155577 0.5 496 63.54 0.00188853 -3.53958 63.540000 Cu 0.904071 0.188691 0.5 521 63.54 0.00161107 -3.53978 63.540000 Cu 0.939643 0.173018 5.43605e-17 523 63.54 0.0010663 -3.53956 63.540000 Cu 0.975218 0.157183 0.5 525 63.54 0.000302082 -3.53929 63.540000 Cu 0.970524 0.190419 0.5 526 63.54 0.000262345 -3.53947 63.540000 Cu 0.0677862 0.209455 1 562 63.54 0.000804066 -3.53964 63.540000 Cu 0.0369021 0.191969 0.5 563 63.54 0.000318581 -3.53943 63.540000 Cu 0.0323024 0.225272 0.5 564 63.54 0.00013851 -3.53956 63.540000 Cu 0.0987219 0.226997 0.5 609 63.54 0.00154783 -3.53982 63.540000 Cu 0.00139122 0.207839 1 561 63.54 3.12503e-05 -3.53948 63.540000 Cu 0.103242 0.193713 0.5 568 63.54 0.00183563 -3.53971 63.540000 Cu 0.134126 0.211402 1.22521e-16 611 63.54 0.00226837 -3.53987 63.540000 Cu 0.169529 0.195952 0.5 613 63.54 0.00247062 -3.53976 63.540000 Cu 0.165072 0.229179 0.5 614 63.54 0.002506 -3.53982 63.540000 Cu 0.200439 0.213907 4.80005e-19 612 63.54 0.00130756 -3.53966 63.540000 Cu 0.235798 0.198756 0.5 618 63.54 0.000241163 -3.5395 63.540000 Cu 0.231403 0.231935 0.5 667 63.54 0.000253982 -3.53948 63.540000 Cu 0.266743 0.216831 1.20001e-19 669 63.54 0.00018508 -3.53951 63.540000 Cu 0.297697 0.234856 0.5 672 63.54 0.000937352 -3.5396 63.540000 Cu 0.302123 0.201706 0.5 671 63.54 0.0013386 -3.53963 63.540000 Cu 0.333073 0.219616 2.40002e-19 670 63.54 0.00198783 -3.53981 63.540000 Cu 0.368531 0.204239 0.5 676 63.54 0.00239326 -3.53988 63.540000 Cu 0.364016 0.237425 0.5 729 63.54 0.00206339 -3.53986 63.540000 Cu 0.399447 0.221891 7.63208e-17 731 63.54 0.00181301 -3.53984 63.540000 Cu 0.465859 0.22368 1.63202e-16 732 63.54 0.000330008 -3.53959 63.540000 Cu 0.434971 0.206214 0.5 733 63.54 0.000957073 -3.53968 63.540000 Cu 0.501391 0.207839 0.5 738 63.54 3.12503e-05 -3.53948 63.540000 Cu 0.536902 0.191969 1.20001e-19 736 63.54 0.000318581 -3.53943 63.540000 Cu 0.532302 0.225272 0 785 63.54 0.00013851 -3.53956 63.540000 Cu 0.598722 0.226997 6.12006e-18 786 63.54 0.00154783 -3.53982 63.540000 Cu 0.567786 0.209455 0.5 787 63.54 0.000804066 -3.53964 63.540000 Cu 0.603242 0.193713 2.40002e-19 789 63.54 0.00183563 -3.53971 63.540000 Cu 0.669529 0.195952 1 790 63.54 0.00247062 -3.53976 63.540000 Cu 0.634126 0.211402 0.5 792 63.54 0.00226837 -3.53987 63.540000 Cu 0.665072 0.229179 1 831 63.54 0.002506 -3.53982 63.540000 Cu 0.700439 0.213907 0.5 833 63.54 0.00130756 -3.53966 63.540000 Cu 0.766743 0.216831 0.5 488 63.54 0.00018508 -3.53951 63.540000 Cu 0.797697 0.234856 1.20001e-19 515 63.54 0.000937352 -3.5396 63.540000 Cu 0.731403 0.231935 1.20001e-19 832 63.54 0.000253982 -3.53948 63.540000 Cu 0.735798 0.198756 1 835 63.54 0.000241163 -3.5395 63.540000 Cu 0.802123 0.201706 0 486 63.54 0.0013386 -3.53963 63.540000 Cu 0.864016 0.237425 0 516 63.54 0.00206339 -3.53986 63.540000 Cu 0.833073 0.219616 0.5 517 63.54 0.00198783 -3.53981 63.540000 Cu 0.868531 0.204239 1.22401e-16 519 63.54 0.00239326 -3.53988 63.540000 Cu 0.899447 0.221891 0.5 522 63.54 0.00181301 -3.53984 63.540000 Cu 0.934971 0.206214 1 520 63.54 0.000957073 -3.53968 63.540000 Cu 0.965859 0.22368 0.5 559 63.54 0.000330008 -3.53959 63.540000 Cu 0.0587387 0.275919 0 604 63.54 0.000698828 -3.53963 63.540000 Cu 0.0277518 0.258528 0.5 605 63.54 0.000112349 -3.53956 63.540000 Cu 0.0632401 0.24272 1.20001e-19 607 63.54 0.000620167 -3.53969 63.540000 Cu 0.0942172 0.260201 0.5 610 63.54 0.00152446 -3.53979 63.540000 Cu 0.129685 0.244607 1.20001e-19 608 63.54 0.00262444 -3.53987 63.540000 Cu 0.125281 0.277727 1.20001e-19 661 63.54 0.00324065 -3.53973 63.540000 Cu 0.191811 0.280185 6.06006e-17 662 63.54 0.00270647 -3.53932 63.540000 Cu 0.160712 0.262334 0.5 663 63.54 0.00301957 -3.53971 63.540000 Cu 0.196089 0.247083 1 665 63.54 0.00163758 -3.53959 63.540000 Cu 0.262405 0.250021 3.33603e-17 666 63.54 0.000170432 -3.53939 63.540000 Cu 0.227136 0.265111 0.5 668 63.54 0.000506885 -3.53929 63.540000 Cu 0.258189 0.283238 1.20241e-16 723 63.54 0.000426537 -3.53908 63.540000 Cu 0.293421 0.268116 0.5 725 63.54 0.00107746 -3.53939 63.540000 Cu 0.328675 0.252851 1 727 63.54 0.00209677 -3.53968 63.540000 Cu 0.394967 0.255164 1 728 63.54 0.00202125 -3.53977 63.540000 Cu 0.359636 0.270755 0.5 730 63.54 0.00278209 -3.53965 63.540000 Cu 0.430377 0.239459 0.5 734 63.54 0.00102395 -3.53973 63.540000 Cu 0.425902 0.272777 0.5 779 63.54 0.00123233 -3.5396 63.540000 Cu 0.461319 0.256964 1 781 63.54 0.000466148 -3.53958 63.540000 Cu 0.496802 0.241119 0.5 783 63.54 3.62152e-05 -3.53955 63.540000 Cu 0.492267 0.274386 0.5 784 63.54 0.000150532 -3.53949 63.540000 Cu 0.527752 0.258528 6.20406e-17 782 63.54 0.000112349 -3.53956 63.540000 Cu 0.56324 0.24272 0.5 788 63.54 0.000620167 -3.53969 63.540000 Cu 0.558739 0.275919 0.5 825 63.54 0.000698828 -3.53963 63.540000 Cu 0.594217 0.260201 2.82003e-17 827 63.54 0.00152446 -3.53979 63.540000 Cu 0.660712 0.262334 2.82003e-17 828 63.54 0.00301957 -3.53971 63.540000 Cu 0.629685 0.244607 0.5 829 63.54 0.00262444 -3.53987 63.540000 Cu 0.625281 0.277727 0.5 830 63.54 0.00324065 -3.53973 63.540000 Cu 0.696089 0.247083 0.5 834 63.54 0.00163758 -3.53959 63.540000 Cu 0.691811 0.280185 0.5 863 63.54 0.00270647 -3.53932 63.540000 Cu 0.793421 0.268116 1.69202e-17 513 63.54 0.00107746 -3.53939 63.540000 Cu 0.762405 0.250021 0.5 514 63.54 0.000170432 -3.53939 63.540000 Cu 0.727136 0.265111 4.41604e-17 865 63.54 0.000506885 -3.53929 63.540000 Cu 0.758189 0.283238 0.5 866 63.54 0.000426537 -3.53908 63.540000 Cu 0.828675 0.252851 0.5 518 63.54 0.00209677 -3.53968 63.540000 Cu 0.859636 0.270755 1.15201e-16 553 63.54 0.00278209 -3.53965 63.540000 Cu 0.894967 0.255164 0.5 555 63.54 0.00202125 -3.53977 63.540000 Cu 0.925902 0.272777 2.25362e-16 554 63.54 0.00123233 -3.5396 63.540000 Cu 0.930377 0.239459 1 557 63.54 0.00102395 -3.53973 63.540000 Cu 0.996802 0.241119 1 558 63.54 3.62152e-05 -3.53955 63.540000 Cu 0.961319 0.256964 0.5 560 63.54 0.000466148 -3.53958 63.540000 Cu 0.992267 0.274386 1 603 63.54 0.000150532 -3.53949 63.540000 Cu 0.0232535 0.291774 0.5 606 63.54 0.000238527 -3.53947 63.540000 Cu 0.0188222 0.325008 0.5 655 63.54 0.000401951 -3.53922 63.540000 Cu 0.0543069 0.309081 6.34806e-17 657 63.54 0.000899971 -3.53944 63.540000 Cu 0.0897815 0.293323 0.5 659 63.54 0.00186163 -3.53962 63.540000 Cu 0.0854342 0.326356 0.5 660 63.54 0.00269884 -3.5393 63.540000 Cu 0.12093 0.310743 0 658 63.54 0.00439989 -3.53942 63.540000 Cu 0.15641 0.295364 0.5 664 63.54 0.00476897 -3.53937 63.540000 Cu 0.152168 0.328278 0.5 717 63.54 0.00831033 -3.53866 63.540000 Cu 0.187583 0.313174 1 719 63.54 0.00572804 -3.53868 63.540000 Cu 0.254038 0.316465 1.20001e-19 720 63.54 0.0012045 -3.53836 63.540000 Cu 0.22294 0.298209 0.5 721 63.54 0.00161665 -3.53884 63.540000 Cu 0.218823 0.331257 0.5 722 63.54 0.00466439 -3.53755 63.540000 Cu 0.289212 0.301425 0.5 726 63.54 0.00181501 -3.53892 63.540000 Cu 0.324396 0.286191 5.97606e-17 724 63.54 0.00274535 -3.53935 63.540000 Cu 0.320161 0.319641 0 773 63.54 0.00457563 -3.53862 63.540000 Cu 0.386207 0.322052 0 774 63.54 0.00424904 -3.53896 63.540000 Cu 0.355327 0.304185 0.5 775 63.54 0.00405211 -3.5392 63.540000 Cu 0.390576 0.288548 1.02241e-16 777 63.54 0.00274698 -3.53949 63.540000 Cu 0.456855 0.2903 6.08406e-17 778 63.54 0.000684436 -3.53942 63.540000 Cu 0.42149 0.306198 0.5 780 63.54 0.00188149 -3.53925 63.540000 Cu 0.452418 0.32371 8.08808e-17 819 63.54 0.00120742 -3.53909 63.540000 Cu 0.487818 0.307707 0.5 821 63.54 0.000350147 -3.53929 63.540000 Cu 0.518822 0.325008 1.62002e-17 820 63.54 0.000401951 -3.53922 63.540000 Cu 0.523254 0.291774 0 823 63.54 0.000238527 -3.53947 63.540000 Cu 0.589781 0.293323 1 824 63.54 0.00186163 -3.53962 63.540000 Cu 0.554307 0.309081 0.5 826 63.54 0.000899971 -3.53944 63.540000 Cu 0.585434 0.326356 5.56806e-17 857 63.54 0.00269884 -3.5393 63.540000 Cu 0.652168 0.328278 3.28803e-17 858 63.54 0.00831033 -3.53866 63.540000 Cu 0.62093 0.310743 0.5 859 63.54 0.00439989 -3.53942 63.540000 Cu 0.65641 0.295364 1.90202e-16 861 63.54 0.00476897 -3.53937 63.540000 Cu 0.687583 0.313174 0.5 864 63.54 0.00572804 -3.53868 63.540000 Cu 0.789212 0.301425 1 549 63.54 0.00181501 -3.53892 63.540000 Cu 0.72294 0.298209 2.82003e-17 862 63.54 0.00161665 -3.53884 63.540000 Cu 0.718823 0.331257 2.82003e-17 886 63.54 0.00466439 -3.53755 63.540000 Cu 0.754038 0.316465 0.5 887 63.54 0.0012045 -3.53836 63.540000 Cu 0.824396 0.286191 0.5 551 63.54 0.00274535 -3.53935 63.540000 Cu 0.855327 0.304185 3.21603e-17 550 63.54 0.00405211 -3.5392 63.540000 Cu 0.820161 0.319641 0.5 552 63.54 0.00457563 -3.53862 63.540000 Cu 0.890576 0.288548 0.5 556 63.54 0.00274698 -3.53949 63.540000 Cu 0.886207 0.322052 0.5 597 63.54 0.00424904 -3.53896 63.540000 Cu 0.92149 0.306198 0 599 63.54 0.00188149 -3.53925 63.540000 Cu 0.987818 0.307707 1 600 63.54 0.000350147 -3.53929 63.540000 Cu 0.956855 0.2903 0.5 601 63.54 0.000684436 -3.53942 63.540000 Cu 0.952418 0.32371 0.5 602 63.54 0.00120742 -3.53909 63.540000 Cu 0.0499203 0.342203 0 654 63.54 0.00112329 -3.5391 63.540000 Cu 0.014441 0.358231 0.5 656 63.54 0.000595248 -3.53881 63.540000 Cu 0.0455987 0.37529 1.65842e-16 711 63.54 0.0012413 -3.53847 63.540000 Cu 0.0811422 0.359337 0.5 713 63.54 0.00313567 -3.53872 63.540000 Cu 0.112458 0.376449 1 712 63.54 0.00823956 -3.53757 63.540000 Cu 0.116681 0.343662 0 715 63.54 0.00609117 -3.53878 63.540000 Cu 0.183502 0.34603 0 716 63.54 0.0135867 -3.53708 63.540000 Cu 0.148028 0.361038 0.5 718 63.54 0.0145857 -3.5372 63.540000 Cu 0.179544 0.378646 1.22521e-16 765 63.54 0.0368081 -3.53345 63.540000 Cu 0.214918 0.364139 0.5 767 63.54 0.0186301 -3.53378 63.540000 Cu 0.250028 0.34975 1.02601e-16 769 63.54 0.00447116 -3.53634 63.540000 Cu 0.285063 0.334839 0.5 771 63.54 0.00385069 -3.53784 63.540000 Cu 0.281053 0.368391 0.5 772 63.54 0.00990061 -3.53511 63.540000 Cu 0.315976 0.353268 1 770 63.54 0.00952291 -3.53694 63.540000 Cu 0.351035 0.337766 0.5 776 63.54 0.00685553 -3.53823 63.540000 Cu 0.346767 0.371553 0.5 813 63.54 0.0138447 -3.53624 63.540000 Cu 0.381875 0.355692 1.58402e-17 815 63.54 0.00668405 -3.53794 63.540000 Cu 0.448011 0.357166 9.15609e-17 816 63.54 0.00172 -3.53859 63.540000 Cu 0.41709 0.339724 0.5 817 63.54 0.00321292 -3.5387 63.540000 Cu 0.412718 0.373349 0.5 818 63.54 0.00473188 -3.53779 63.540000 Cu 0.483387 0.341049 0.5 822 63.54 0.000655927 -3.53896 63.540000 Cu 0.479005 0.374406 0.5 851 63.54 0.000976147 -3.53843 63.540000 Cu 0.514441 0.358231 1 853 63.54 0.000595248 -3.53881 63.540000 Cu 0.581142 0.359337 6.99607e-17 854 63.54 0.00313567 -3.53872 63.540000 Cu 0.54992 0.342203 0.5 855 63.54 0.00112329 -3.5391 63.540000 Cu 0.545599 0.37529 0.5 856 63.54 0.0012413 -3.53847 63.540000 Cu 0.616681 0.343662 0.5 860 63.54 0.00609117 -3.53878 63.540000 Cu 0.612458 0.376449 0.5 880 63.54 0.00823956 -3.53757 63.540000 Cu 0.648028 0.361038 1.87202e-17 882 63.54 0.0145857 -3.5372 63.540000 Cu 0.683502 0.34603 0.5 884 63.54 0.0135867 -3.53708 63.540000 Cu 0.679544 0.378646 0.5 885 63.54 0.0368081 -3.53345 63.540000 Cu 0.785063 0.334839 1.20001e-19 548 63.54 0.00385069 -3.53784 63.540000 Cu 0.781053 0.368391 1.22521e-16 591 63.54 0.00990061 -3.53511 63.540000 Cu 0.714918 0.364139 1 883 63.54 0.0186301 -3.53378 63.540000 Cu 0.750028 0.34975 0.5 888 63.54 0.00447116 -3.53634 63.540000 Cu 0.846767 0.371553 1 592 63.54 0.0138447 -3.53624 63.540000 Cu 0.815976 0.353268 0.5 593 63.54 0.00952291 -3.53694 63.540000 Cu 0.851035 0.337766 0 595 63.54 0.00685553 -3.53823 63.540000 Cu 0.881875 0.355692 0.5 598 63.54 0.00668405 -3.53794 63.540000 Cu 0.91709 0.339724 0 596 63.54 0.00321292 -3.5387 63.540000 Cu 0.912718 0.373349 1.38481e-16 649 63.54 0.00473188 -3.53779 63.540000 Cu 0.979005 0.374406 1.98122e-16 650 63.54 0.000976147 -3.53843 63.540000 Cu 0.948011 0.357166 0.5 651 63.54 0.00172 -3.53859 63.540000 Cu 0.983387 0.341049 4.62005e-17 653 63.54 0.000655927 -3.53896 63.540000 Cu 0.041308 0.408339 1 708 63.54 0.00201057 -3.53781 63.540000 Cu 0.0768383 0.392231 0.5 714 63.54 0.00346252 -3.53777 63.540000 Cu 0.0726741 0.425093 0.5 759 63.54 0.00567744 -3.53736 63.540000 Cu 0.0101016 0.391446 0.5 709 63.54 0.000881527 -3.53819 63.540000 Cu 0.00598081 0.424685 0.5 710 63.54 0.00342237 -3.5381 63.540000 Cu 0.1082 0.409101 1.27441e-16 761 63.54 0.0100895 -3.53608 63.540000 Cu 0.1755 0.410939 3.60484e-16 762 63.54 0.107546 -3.52532 63.540000 Cu 0.143881 0.393583 0.5 763 63.54 0.0241184 -3.53484 63.540000 Cu 0.139612 0.425939 0.5 764 63.54 0.0299873 -3.53267 63.540000 Cu 0.211133 0.396732 0.5 768 63.54 0.0913065 -3.52045 63.540000 Cu 0.246268 0.383123 5.71206e-17 766 63.54 0.0200892 -3.53039 63.540000 Cu 0.242782 0.416838 1 807 63.54 0.129117 -3.51093 63.540000 Cu 0.27711 0.402227 0.5 809 63.54 0.0316164 -3.52835 63.540000 Cu 0.307786 0.421471 0 808 63.54 0.063114 -3.51791 63.540000 Cu 0.311883 0.387145 1.08481e-16 811 63.54 0.0213121 -3.53312 63.540000 Cu 0.377535 0.389525 0 812 63.54 0.0115065 -3.53586 63.540000 Cu 0.34246 0.405634 0.5 814 63.54 0.0296219 -3.53155 63.540000 Cu 0.373102 0.423603 1.20001e-19 845 63.54 0.022689 -3.533 63.540000 Cu 0.408328 0.407091 0.5 847 63.54 0.00635606 -3.5366 63.540000 Cu 0.439432 0.424254 1 846 63.54 0.00355861 -3.5375 63.540000 Cu 0.443628 0.390686 3.76804e-17 849 63.54 0.0022018 -3.5378 63.540000 Cu 0.474699 0.407782 0.5 852 63.54 0.00146332 -3.53795 63.540000 Cu 0.510102 0.391446 1 850 63.54 0.000881527 -3.53819 63.540000 Cu 0.505981 0.424685 1 874 63.54 0.00342237 -3.5381 63.540000 Cu 0.572674 0.425093 1.22521e-16 875 63.54 0.00567744 -3.53736 63.540000 Cu 0.541308 0.408339 0.5 876 63.54 0.00201057 -3.53781 63.540000 Cu 0.576838 0.392231 1 878 63.54 0.00346252 -3.53777 63.540000 Cu 0.6082 0.409101 0.5 881 63.54 0.0100895 -3.53608 63.540000 Cu 0.643881 0.393583 1.20001e-19 879 63.54 0.0241184 -3.53484 63.540000 Cu 0.6755 0.410939 0.5 898 63.54 0.107546 -3.52532 63.540000 Cu 0.639612 0.425939 0 896 63.54 0.0299873 -3.53267 63.540000 Cu 0.711133 0.396732 1 900 63.54 0.0913065 -3.52045 63.540000 Cu 0.742782 0.416838 0.5 452 63.54 0.129117 -3.51093 63.540000 Cu 0.746268 0.383123 0.5 454 63.54 0.0200892 -3.53039 63.540000 Cu 0.77711 0.402227 9.12009e-18 590 63.54 0.0316164 -3.52835 63.540000 Cu 0.811883 0.387145 0.5 594 63.54 0.0213121 -3.53312 63.540000 Cu 0.807786 0.421471 0.5 643 63.54 0.063114 -3.51791 63.540000 Cu 0.84246 0.405634 0 645 63.54 0.0296219 -3.53155 63.540000 Cu 0.877535 0.389525 0.5 647 63.54 0.0115065 -3.53586 63.540000 Cu 0.873102 0.423603 0.5 648 63.54 0.022689 -3.533 63.540000 Cu 0.908328 0.407091 5.20805e-17 646 63.54 0.00635606 -3.5366 63.540000 Cu 0.943628 0.390686 0.5 652 63.54 0.0022018 -3.5378 63.540000 Cu 0.939432 0.424254 0.5 705 63.54 0.00355861 -3.5375 63.540000 Cu 0.974699 0.407782 0 707 63.54 0.00146332 -3.53795 63.540000 Cu 0.0359823 0.474546 1 754 63.54 0.0217147 -3.53911 63.540000 Cu 0.0376208 0.441421 2.45162e-16 757 63.54 0.00805134 -3.53832 63.540000 Cu 0.0696765 0.458035 0.5 760 63.54 0.0183146 -3.53823 63.540000 Cu 0.00309087 0.457913 0.5 755 63.54 0.0160854 -3.53911 63.540000 Cu 0.104321 0.441729 0 758 63.54 0.0142747 -3.53594 63.540000 Cu 0.136027 0.458238 0.5 801 63.54 0.0475185 -3.53209 63.540000 Cu 0.171335 0.442846 1.32481e-16 803 63.54 0.329143 -3.50562 63.540000 Cu 0.102368 0.474536 1 799 63.54 0.0314223 -3.53679 63.540000 Cu 0.168411 0.474513 1.35001e-16 800 63.54 3.41641 -3.45748 63.540000 Cu 0.207044 0.428628 0.5 805 63.54 0.525529 -3.47933 63.540000 Cu 0.203087 0.459534 0.5 806 63.54 5.64377 -3.43143 63.540000 Cu 0.240385 0.451114 1 804 63.54 5.86184 -3.34694 63.540000 Cu 0.272932 0.436583 0.5 810 63.54 0.251457 -3.47969 63.540000 Cu 0.264041 0.474527 0.5 839 63.54 5.11087 -3.37623 63.540000 Cu 0.302551 0.457268 1.22641e-16 841 63.54 0.478464 -3.4798 63.540000 Cu 0.369389 0.457585 1 842 63.54 0.0262406 -3.53427 63.540000 Cu 0.337593 0.440248 0.5 843 63.54 0.104079 -3.52523 63.540000 Cu 0.334194 0.474467 0.5 844 63.54 0.155507 -3.51956 63.540000 Cu 0.404244 0.440851 0.5 848 63.54 0.0105267 -3.53684 63.540000 Cu 0.402086 0.474489 0.5 869 63.54 0.0447379 -3.536 63.540000 Cu 0.436318 0.457764 1.20001e-19 870 63.54 0.0176141 -3.53831 63.540000 Cu 0.470934 0.441162 0.5 872 63.54 0.0086019 -3.53842 63.540000 Cu 0.469229 0.474513 0.5 873 63.54 0.0247251 -3.53891 63.540000 Cu 0.503091 0.457913 1 871 63.54 0.0160854 -3.53911 63.540000 Cu 0.537621 0.441421 0.5 877 63.54 0.00805134 -3.53832 63.540000 Cu 0.535982 0.474546 0.5 891 63.54 0.0217147 -3.53911 63.540000 Cu 0.569676 0.458035 5.35205e-17 892 63.54 0.0183146 -3.53823 63.540000 Cu 0.604321 0.441729 0.5 894 63.54 0.0142747 -3.53594 63.540000 Cu 0.636027 0.458238 1.20001e-19 893 63.54 0.0475185 -3.53209 63.540000 Cu 0.671335 0.442846 0.5 899 63.54 0.329143 -3.50562 63.540000 Cu 0.602368 0.474536 0.5 895 63.54 0.0314223 -3.53679 63.540000 Cu 0.668411 0.474513 0.5 186 63.54 3.41641 -3.45748 63.540000 Cu 0.703087 0.459534 1 184 63.54 5.64377 -3.43143 63.540000 Cu 0.707044 0.428628 0 897 63.54 0.525529 -3.47933 63.540000 Cu 0.740385 0.451114 0.5 32 63.54 5.86184 -3.34694 63.540000 Cu 0.764041 0.474527 0 640 63.54 5.11087 -3.37623 63.540000 Cu 0.772932 0.436583 1 641 63.54 0.251457 -3.47969 63.540000 Cu 0.802551 0.457268 0.5 644 63.54 0.478464 -3.4798 63.540000 Cu 0.837593 0.440248 1.20001e-19 642 63.54 0.104079 -3.52523 63.540000 Cu 0.834194 0.474467 2.82003e-17 699 63.54 0.155507 -3.51956 63.540000 Cu 0.869389 0.457585 0.5 701 63.54 0.0262406 -3.53427 63.540000 Cu 0.902086 0.474489 5.78406e-17 700 63.54 0.0447379 -3.536 63.540000 Cu 0.904244 0.440851 1 703 63.54 0.0105267 -3.53684 63.540000 Cu 0.970934 0.441162 1.20001e-19 704 63.54 0.0086019 -3.53842 63.540000 Cu 0.936318 0.457764 0.5 706 63.54 0.0176141 -3.53831 63.540000 Cu 0.969229 0.474513 1.20001e-19 753 63.54 0.0247251 -3.53891 63.540000 Cu 0.0377278 0.507667 2.40002e-19 3 63.54 0.0095079 -3.53805 63.540000 Cu 0.0697151 0.491054 0.5 798 63.54 0.0197481 -3.53811 63.540000 Cu 0.00314392 0.491157 0.5 756 63.54 0.0168256 -3.53891 63.540000 Cu 0.171424 0.50617 1.20001e-19 1 63.54 0.322607 -3.50623 63.540000 Cu 0.104452 0.507342 0 4 63.54 0.01521 -3.53573 63.540000 Cu 0.139833 0.523114 0.5 6 63.54 0.0332782 -3.53235 63.540000 Cu 0.136065 0.490817 0.5 802 63.54 0.0503141 -3.53198 63.540000 Cu 0.20309 0.489414 0.5 836 63.54 5.60679 -3.43136 63.540000 Cu 0.207271 0.520321 0.5 2 63.54 0.493869 -3.48088 63.540000 Cu 0.240353 0.497938 1.20001e-19 837 63.54 5.82435 -3.35009 63.540000 Cu 0.273137 0.512367 0.5 840 63.54 0.244173 -3.48101 63.540000 Cu 0.30253 0.491668 6.84007e-18 838 63.54 0.49091 -3.48097 63.540000 Cu 0.337714 0.508674 0.5 136 63.54 0.108078 -3.52479 63.540000 Cu 0.369406 0.491339 1.20001e-19 867 63.54 0.0292137 -3.5341 63.540000 Cu 0.471053 0.507862 0.5 94 63.54 0.00964723 -3.53801 63.540000 Cu 0.40436 0.508104 0.5 135 63.54 0.0118217 -3.5365 63.540000 Cu 0.436341 0.491226 1 868 63.54 0.019412 -3.53811 63.540000 Cu 0.503144 0.491157 3.27603e-17 889 63.54 0.0168256 -3.53891 63.540000 Cu 0.537728 0.507667 0.5 93 63.54 0.0095079 -3.53805 63.540000 Cu 0.569715 0.491054 1 890 63.54 0.0197481 -3.53811 63.540000 Cu 0.639833 0.523114 1 58 63.54 0.0332782 -3.53235 63.540000 Cu 0.671424 0.50617 0.5 59 63.54 0.322607 -3.50623 63.540000 Cu 0.604452 0.507342 0.5 60 63.54 0.01521 -3.53573 63.540000 Cu 0.636065 0.490817 1 411 63.54 0.0503141 -3.53198 63.540000 Cu 0.70309 0.489414 1 409 63.54 5.60679 -3.43136 63.540000 Cu 0.740353 0.497938 0.5 31 63.54 5.82435 -3.35009 63.540000 Cu 0.707271 0.520321 1.20001e-19 61 63.54 0.493869 -3.48088 63.540000 Cu 0.773137 0.512367 1 697 63.54 0.244173 -3.48101 63.540000 Cu 0.80253 0.491668 0.5 698 63.54 0.49091 -3.48097 63.540000 Cu 0.837714 0.508674 0 33 63.54 0.108078 -3.52479 63.540000 Cu 0.869406 0.491339 0.5 702 63.54 0.0292137 -3.5341 63.540000 Cu 0.90436 0.508104 2.82003e-17 13 63.54 0.0118217 -3.5365 63.540000 Cu 0.971053 0.507862 1 14 63.54 0.00964723 -3.53801 63.540000 Cu 0.936341 0.491226 0.5 752 63.54 0.019412 -3.53811 63.540000 Cu 0.0728878 0.523972 0.5 7 63.54 0.00653294 -3.53704 63.540000 Cu 0.00621181 0.524382 0.5 16 63.54 0.0042242 -3.53757 63.540000 Cu 0.0416676 0.540737 1.20001e-19 18 63.54 0.00288551 -3.53729 63.540000 Cu 0.0773808 0.556822 0.5 20 63.54 0.00390781 -3.53734 63.540000 Cu 0.0106845 0.557602 0.5 21 63.54 0.00109803 -3.53744 63.540000 Cu 0.108577 0.539954 1.52402e-17 5 63.54 0.0108161 -3.53571 63.540000 Cu 0.17586 0.538065 1.22521e-16 8 63.54 0.105842 -3.5256 63.540000 Cu 0.18029 0.570334 1.02121e-16 9 63.54 0.0365877 -3.53368 63.540000 Cu 0.144427 0.555444 0.5 11 63.54 0.025614 -3.5346 63.540000 Cu 0.211665 0.552217 0.5 10 63.54 0.0855324 -3.52165 63.540000 Cu 0.243065 0.532158 1 185 63.54 0.118273 -3.51277 63.540000 Cu 0.27757 0.546707 0.5 190 63.54 0.0318885 -3.52912 63.540000 Cu 0.246956 0.565809 1 242 63.54 0.0192012 -3.53152 63.540000 Cu 0.373335 0.525317 1.22641e-16 134 63.54 0.025049 -3.53267 63.540000 Cu 0.308022 0.527461 6.38406e-17 187 63.54 0.0642108 -3.51826 63.540000 Cu 0.312523 0.561748 5.83206e-17 188 63.54 0.0225674 -3.53361 63.540000 Cu 0.342883 0.543285 0.5 189 63.54 0.0304722 -3.5316 63.540000 Cu 0.378144 0.559371 0 191 63.54 0.0130451 -3.53566 63.540000 Cu 0.439641 0.524735 2.88003e-17 137 63.54 0.00460363 -3.53697 63.540000 Cu 0.444224 0.558284 2.84403e-17 138 63.54 0.00231391 -3.5371 63.540000 Cu 0.47508 0.541242 0.5 139 63.54 0.00191618 -3.53721 63.540000 Cu 0.408727 0.54186 0.5 140 63.54 0.00685058 -3.53606 63.540000 Cu 0.572888 0.523972 1 95 63.54 0.00653294 -3.53704 63.540000 Cu 0.506212 0.524382 0 92 63.54 0.0042242 -3.53757 63.540000 Cu 0.577381 0.556822 3.72004e-18 96 63.54 0.00390781 -3.53734 63.540000 Cu 0.541668 0.540737 0.5 98 63.54 0.00288551 -3.53729 63.540000 Cu 0.510685 0.557602 0 141 63.54 0.00109803 -3.53744 63.540000 Cu 0.67586 0.538065 0.5 64 63.54 0.105842 -3.5256 63.540000 Cu 0.608577 0.539954 0.5 97 63.54 0.0108161 -3.53571 63.540000 Cu 0.644427 0.555444 1.02001e-17 99 63.54 0.025614 -3.5346 63.540000 Cu 0.68029 0.570334 0.5 101 63.54 0.0365877 -3.53368 63.540000 Cu 0.711665 0.552217 1.20601e-16 62 63.54 0.0855324 -3.52165 63.540000 Cu 0.743065 0.532158 0.5 63 63.54 0.118273 -3.51277 63.540000 Cu 0.77757 0.546707 4.06804e-17 65 63.54 0.0318885 -3.52912 63.540000 Cu 0.746956 0.565809 0.5 68 63.54 0.0192012 -3.53152 63.540000 Cu 0.842883 0.543285 0 34 63.54 0.0304722 -3.5316 63.540000 Cu 0.873335 0.525317 0.5 35 63.54 0.025049 -3.53267 63.540000 Cu 0.808022 0.527461 0.5 36 63.54 0.0642108 -3.51826 63.540000 Cu 0.878144 0.559371 0.5 40 63.54 0.0130451 -3.53566 63.540000 Cu 0.812523 0.561748 0.5 67 63.54 0.0225674 -3.53361 63.540000 Cu 0.97508 0.541242 2.40002e-19 15 63.54 0.00191618 -3.53721 63.540000 Cu 0.939641 0.524735 0.5 17 63.54 0.00460363 -3.53697 63.540000 Cu 0.908727 0.54186 1.22521e-16 37 63.54 0.00685058 -3.53606 63.540000 Cu 0.944224 0.558284 0.5 39 63.54 0.00231391 -3.5371 63.540000 Cu 0.0463971 0.573765 3.33603e-17 19 63.54 0.00153966 -3.53787 63.540000 Cu 0.0821679 0.589707 0.5 25 63.54 0.00366339 -3.53831 63.540000 Cu 0.0155077 0.590805 0.5 43 63.54 0.000643287 -3.53818 63.540000 Cu 0.0512043 0.606833 1.22521e-16 45 63.54 0.00157461 -3.53868 63.540000 Cu 0.113236 0.572588 1.20001e-19 22 63.54 0.00886883 -3.53726 63.540000 Cu 0.117923 0.605343 1 23 63.54 0.00643883 -3.53853 63.540000 Cu 0.149032 0.587968 0.5 24 63.54 0.0154254 -3.53704 63.540000 Cu 0.184715 0.602926 1.68002e-18 26 63.54 0.0137462 -3.53721 63.540000 Cu 0.215896 0.584793 0.5 12 63.54 0.017827 -3.53446 63.540000 Cu 0.220217 0.61765 0.5 28 63.54 0.00462187 -3.53778 63.540000 Cu 0.251217 0.599156 7.58408e-17 243 63.54 0.00451401 -3.53691 63.540000 Cu 0.281954 0.580501 0.5 244 63.54 0.0101862 -3.53583 63.540000 Cu 0.2864 0.614025 0.5 248 63.54 0.00412495 -3.53815 63.540000 Cu 0.382955 0.593174 1 192 63.54 0.00793922 -3.53783 63.540000 Cu 0.347644 0.577323 0.5 194 63.54 0.0148414 -3.53643 63.540000 Cu 0.317094 0.595599 1.35841e-16 245 63.54 0.0100829 -3.53727 63.540000 Cu 0.352341 0.611079 0.5 247 63.54 0.00780089 -3.53837 63.540000 Cu 0.479842 0.574604 0.5 144 63.54 0.000744031 -3.53765 63.540000 Cu 0.413545 0.575572 0.5 193 63.54 0.00520888 -3.53733 63.540000 Cu 0.44909 0.591774 1.20001e-19 195 63.54 0.0018531 -3.53802 63.540000 Cu 0.484657 0.607932 0.5 197 63.54 0.000575677 -3.53843 63.540000 Cu 0.418364 0.609165 0.5 198 63.54 0.00360387 -3.53844 63.540000 Cu 0.515508 0.590805 1 142 63.54 0.000643287 -3.53818 63.540000 Cu 0.546397 0.573765 0.5 143 63.54 0.00153966 -3.53787 63.540000 Cu 0.582168 0.589707 9.7081e-17 145 63.54 0.00366339 -3.53831 63.540000 Cu 0.551204 0.606833 0.5 148 63.54 0.00157461 -3.53868 63.540000 Cu 0.613236 0.572588 0.5 102 63.54 0.00886883 -3.53726 63.540000 Cu 0.649032 0.587968 1 100 63.54 0.0154254 -3.53704 63.540000 Cu 0.684715 0.602926 0.5 106 63.54 0.0137462 -3.53721 63.540000 Cu 0.617923 0.605343 0.5 147 63.54 0.00643883 -3.53853 63.540000 Cu 0.781954 0.580501 0 66 63.54 0.0101862 -3.53583 63.540000 Cu 0.715896 0.584793 1.20001e-19 103 63.54 0.017827 -3.53446 63.540000 Cu 0.720217 0.61765 1 104 63.54 0.00462187 -3.53778 63.540000 Cu 0.751217 0.599156 0.5 105 63.54 0.00451401 -3.53691 63.540000 Cu 0.7864 0.614025 1 107 63.54 0.00412495 -3.53815 63.540000 Cu 0.847644 0.577323 1 69 63.54 0.0148414 -3.53643 63.540000 Cu 0.852341 0.611079 1.20001e-19 70 63.54 0.00780089 -3.53837 63.540000 Cu 0.882955 0.593174 0.5 71 63.54 0.00793922 -3.53783 63.540000 Cu 0.817094 0.595599 0.5 72 63.54 0.0100829 -3.53727 63.540000 Cu 0.913545 0.575572 1 38 63.54 0.00520888 -3.53733 63.540000 Cu 0.979842 0.574604 1 41 63.54 0.000744031 -3.53765 63.540000 Cu 0.984657 0.607932 1 42 63.54 0.000575677 -3.53843 63.540000 Cu 0.94909 0.591774 0.5 44 63.54 0.0018531 -3.53802 63.540000 Cu 0.918364 0.609165 1 73 63.54 0.00360387 -3.53844 63.540000 Cu 0.0558653 0.639926 1.10641e-16 46 63.54 0.00146173 -3.5393 63.540000 Cu 0.0868842 0.622641 0.5 47 63.54 0.00294097 -3.53909 63.540000 Cu 0.0202775 0.624 0.5 48 63.54 0.000559294 -3.53886 63.540000 Cu 0.024861 0.657212 0.5 79 63.54 0.000429742 -3.53933 63.540000 Cu 0.091402 0.655653 0.5 52 63.54 0.00211588 -3.53959 63.540000 Cu 0.15358 0.620675 0.5 29 63.54 0.00818752 -3.53854 63.540000 Cu 0.122484 0.638221 3.66004e-17 49 63.54 0.00451272 -3.53931 63.540000 Cu 0.15802 0.653558 0.5 51 63.54 0.00469698 -3.53929 63.540000 Cu 0.189122 0.635744 3.94804e-17 27 63.54 0.00581152 -3.53865 63.540000 Cu 0.224535 0.650664 0.5 30 63.54 0.00158781 -3.53881 63.540000 Cu 0.255542 0.632409 1 296 63.54 0.00129733 -3.53852 63.540000 Cu 0.259799 0.665609 9.12009e-18 297 63.54 0.000561833 -3.53903 63.540000 Cu 0.290771 0.647415 0.5 298 63.54 0.00186361 -3.53896 63.540000 Cu 0.321622 0.629198 1 246 63.54 0.00487487 -3.53877 63.540000 Cu 0.387647 0.62678 1 249 63.54 0.00541123 -3.53894 63.540000 Cu 0.356844 0.644623 0.5 252 63.54 0.00490333 -3.53928 63.540000 Cu 0.325975 0.662619 1 299 63.54 0.00298426 -3.53936 63.540000 Cu 0.392152 0.660245 0 250 63.54 0.00386064 -3.53952 63.540000 Cu 0.453866 0.625202 6.37206e-17 196 63.54 0.00134912 -3.53878 63.540000 Cu 0.42304 0.64265 0.5 251 63.54 0.0023797 -3.5392 63.540000 Cu 0.458442 0.658581 0 253 63.54 0.000729869 -3.5393 63.540000 Cu 0.48936 0.641242 0.5 202 63.54 0.000326942 -3.53906 63.540000 Cu 0.586884 0.622641 8.10008e-17 146 63.54 0.00294097 -3.53909 63.540000 Cu 0.520277 0.624 6.76807e-17 199 63.54 0.000559294 -3.53886 63.540000 Cu 0.524861 0.657212 1.22401e-16 200 63.54 0.000429742 -3.53933 63.540000 Cu 0.555865 0.639926 0.5 201 63.54 0.00146173 -3.5393 63.540000 Cu 0.591402 0.655653 2.45042e-16 203 63.54 0.00211588 -3.53959 63.540000 Cu 0.65358 0.620675 0 149 63.54 0.00818752 -3.53854 63.540000 Cu 0.65802 0.653558 2.82003e-17 150 63.54 0.00469698 -3.53929 63.540000 Cu 0.622484 0.638221 0.5 152 63.54 0.00451272 -3.53931 63.540000 Cu 0.689122 0.635744 0.5 151 63.54 0.00581152 -3.53865 63.540000 Cu 0.755542 0.632409 0.5 110 63.54 0.00129733 -3.53852 63.540000 Cu 0.724535 0.650664 1 153 63.54 0.00158781 -3.53881 63.540000 Cu 0.759799 0.665609 0.5 155 63.54 0.000561833 -3.53903 63.540000 Cu 0.790771 0.647415 1 108 63.54 0.00186361 -3.53896 63.540000 Cu 0.887647 0.62678 0.5 76 63.54 0.00541123 -3.53894 63.540000 Cu 0.821622 0.629198 0.5 109 63.54 0.00487487 -3.53877 63.540000 Cu 0.856844 0.644623 1 111 63.54 0.00490333 -3.53928 63.540000 Cu 0.825975 0.662619 0.5 114 63.54 0.00298426 -3.53936 63.540000 Cu 0.892152 0.660245 0.5 113 63.54 0.00386064 -3.53952 63.540000 Cu 0.98936 0.641242 1.11241e-16 77 63.54 0.000326942 -3.53906 63.540000 Cu 0.92304 0.64265 1 74 63.54 0.0023797 -3.5392 63.540000 Cu 0.953866 0.625202 0.5 75 63.54 0.00134912 -3.53878 63.540000 Cu 0.958442 0.658581 0.5 80 63.54 0.000729869 -3.5393 63.540000 Cu 0.060342 0.673066 1.15801e-16 81 63.54 0.00125788 -3.53962 63.540000 Cu 0.0647122 0.706261 1 82 63.54 0.0013171 -3.53976 63.540000 Cu 0.0293156 0.690434 0.5 84 63.54 0.000384784 -3.53955 63.540000 Cu 0.0957829 0.688766 0.5 83 63.54 0.00207945 -3.53983 63.540000 Cu 0.126894 0.67122 2.32802e-17 50 63.54 0.00355442 -3.53968 63.540000 Cu 0.162277 0.686565 0.5 56 63.54 0.00278901 -3.53959 63.540000 Cu 0.13114 0.704313 1.20001e-19 85 63.54 0.00261583 -3.53984 63.540000 Cu 0.193435 0.6687 8.76009e-18 53 63.54 0.00264953 -3.53918 63.540000 Cu 0.197554 0.701774 0 54 63.54 0.00131033 -3.53938 63.540000 Cu 0.228699 0.683747 0.5 55 63.54 0.000493612 -3.53912 63.540000 Cu 0.263914 0.698821 1.22521e-16 342 63.54 0.000123944 -3.53919 63.540000 Cu 0.295005 0.680718 0.5 302 63.54 0.000989171 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0.662277 0.686565 2.44802e-16 207 63.54 0.00278901 -3.53959 63.540000 Cu 0.63114 0.704313 0.5 210 63.54 0.00261583 -3.53984 63.540000 Cu 0.693435 0.6687 0.5 156 63.54 0.00264953 -3.53918 63.540000 Cu 0.697554 0.701774 0.5 209 63.54 0.00131033 -3.53938 63.540000 Cu 0.728699 0.683747 1.58402e-16 154 63.54 0.000493612 -3.53912 63.540000 Cu 0.763914 0.698821 0.5 160 63.54 0.000123944 -3.53919 63.540000 Cu 0.795005 0.680718 1 157 63.54 0.000989171 -3.53929 63.540000 Cu 0.7991 0.713939 1 158 63.54 0.000907622 -3.53937 63.540000 Cu 0.861203 0.678031 1.05241e-16 112 63.54 0.00334193 -3.53966 63.540000 Cu 0.830204 0.695946 0.5 159 63.54 0.00221435 -3.53959 63.540000 Cu 0.865479 0.711332 1 161 63.54 0.00264394 -3.53983 63.540000 Cu 0.896499 0.693602 0.5 118 63.54 0.00300901 -3.53978 63.540000 Cu 0.99388 0.674523 8.47208e-17 78 63.54 9.42145e-05 -3.53939 63.540000 Cu 0.998272 0.707795 1.51082e-16 119 63.54 2.44389e-05 -3.53955 63.540000 Cu 0.927485 0.676024 8.04008e-17 115 63.54 0.00189169 -3.53958 63.540000 Cu 0.931847 0.709329 1.20001e-19 116 63.54 0.00163204 -3.53973 63.540000 Cu 0.962879 0.691891 0.5 117 63.54 0.000484647 -3.53954 63.540000 Cu 0.00256257 0.741086 5.64006e-17 120 63.54 4.16949e-05 -3.53957 63.540000 Cu 0.0336464 0.723695 0.5 121 63.54 0.000482709 -3.53965 63.540000 Cu 0.0689571 0.739526 1.20001e-19 123 63.54 0.00155567 -3.53977 63.540000 Cu 0.0378906 0.756995 0.5 126 63.54 0.000695635 -3.53958 63.540000 Cu 0.135291 0.737508 1 86 63.54 0.00223869 -3.53982 63.540000 Cu 0.16641 0.719693 0.5 87 63.54 0.00212333 -3.53967 63.540000 Cu 0.100055 0.721961 0.5 88 63.54 0.00216205 -3.53988 63.540000 Cu 0.170495 0.752927 0.5 91 63.54 0.00233294 -3.53958 63.540000 Cu 0.104211 0.755243 0.5 125 63.54 0.00236734 -3.53977 63.540000 Cu 0.232759 0.716894 0.5 57 63.54 0.000192594 -3.53922 63.540000 Cu 0.201619 0.734928 1.20001e-19 89 63.54 0.00101772 -3.53939 63.540000 Cu 0.267943 0.731971 0 343 63.54 0.000164494 -3.53917 63.540000 Cu 0.236786 0.750066 0.5 380 63.54 0.000296242 -3.53915 63.540000 Cu 0.334352 0.729142 1 345 63.54 0.00229828 -3.53965 63.540000 Cu 0.369662 0.7445 0.5 347 63.54 0.00310541 -3.53982 63.540000 Cu 0.303166 0.747059 0.5 348 63.54 0.00159251 -3.53933 63.540000 Cu 0.400776 0.726867 1 304 63.54 0.00260104 -3.53986 63.540000 Cu 0.46721 0.725177 1 307 63.54 0.000317018 -3.53962 63.540000 Cu 0.471479 0.75844 1.92002e-17 308 63.54 0.000271753 -3.53958 63.540000 Cu 0.436132 0.742585 0.5 310 63.54 0.00130926 -3.53975 63.540000 Cu 0.40501 0.760054 1.20001e-19 349 63.54 0.00251927 -3.53983 63.540000 Cu 0.533646 0.723695 1.20001e-19 258 63.54 0.000482709 -3.53965 63.540000 Cu 0.568957 0.739526 0.5 264 63.54 0.00155567 -3.53977 63.540000 Cu 0.502563 0.741086 0.5 309 63.54 4.16949e-05 -3.53957 63.540000 Cu 0.537891 0.756995 1.20001e-19 311 63.54 0.000695635 -3.53958 63.540000 Cu 0.66641 0.719693 1.22521e-16 208 63.54 0.00212333 -3.53967 63.540000 Cu 0.600055 0.721961 0 261 63.54 0.00216205 -3.53988 63.540000 Cu 0.604211 0.755243 1.13281e-16 262 63.54 0.00236734 -3.53977 63.540000 Cu 0.635291 0.737508 0.5 263 63.54 0.00223869 -3.53982 63.540000 Cu 0.670495 0.752927 1.84682e-16 265 63.54 0.00233294 -3.53958 63.540000 Cu 0.732759 0.716894 0 211 63.54 0.000192594 -3.53922 63.540000 Cu 0.736786 0.750066 1.22521e-16 212 63.54 0.000296242 -3.53915 63.540000 Cu 0.767943 0.731971 0.5 213 63.54 0.000164494 -3.53917 63.540000 Cu 0.701619 0.734928 0.5 214 63.54 0.00101772 -3.53939 63.540000 Cu 0.869662 0.7445 3.67444e-16 162 63.54 0.00310541 -3.53982 63.540000 Cu 0.834352 0.729142 0.5 164 63.54 0.00229828 -3.53965 63.540000 Cu 0.803166 0.747059 1.22521e-16 215 63.54 0.00159251 -3.53933 63.540000 Cu 0.96721 0.725177 0.5 122 63.54 0.000317018 -3.53962 63.540000 Cu 0.900776 0.726867 0.5 163 63.54 0.00260104 -3.53986 63.540000 Cu 0.936132 0.742585 1.22521e-16 165 63.54 0.00130926 -3.53975 63.540000 Cu 0.971479 0.75844 0.5 167 63.54 0.000271753 -3.53958 63.540000 Cu 0.90501 0.760054 0.5 168 63.54 0.00251927 -3.53983 63.540000 Cu 0.0731933 0.772859 1 124 63.54 0.00187534 -3.5396 63.540000 Cu 0.0068383 0.774382 0 169 63.54 0.000164091 -3.53945 63.540000 Cu 0.0112139 0.807687 1.34881e-16 170 63.54 0.000297088 -3.53916 63.540000 Cu 0.0421923 0.790343 0.5 171 63.54 0.00102681 -3.53934 63.540000 Cu 0.0775556 0.806267 1.20001e-19 173 63.54 0.00257983 -3.53925 63.540000 Cu 0.139451 0.77083 9.6721e-17 127 63.54 0.00294892 -3.53965 63.540000 Cu 0.143737 0.80425 9.19209e-17 128 63.54 0.00441686 -3.53922 63.540000 Cu 0.174679 0.78625 0.5 129 63.54 0.00293677 -3.53936 63.540000 Cu 0.108476 0.788639 0.5 130 63.54 0.00357838 -3.53949 63.540000 Cu 0.205684 0.768163 1 90 63.54 0.00124945 -3.5393 63.540000 Cu 0.209875 0.801448 1 131 63.54 0.00194692 -3.53887 63.540000 Cu 0.272004 0.765104 2.64003e-18 381 63.54 0.000522996 -3.53907 63.540000 Cu 0.276171 0.798178 1 382 63.54 0.00144607 -3.53864 63.540000 Cu 0.240927 0.783255 0.5 384 63.54 0.000497445 -3.53896 63.540000 Cu 0.33849 0.76225 2.41202e-17 346 63.54 0.00316316 -3.53956 63.540000 Cu 0.373858 0.777603 0.5 352 63.54 0.0039738 -3.53971 63.540000 Cu 0.307336 0.780134 0.5 383 63.54 0.00259071 -3.53914 63.540000 Cu 0.342702 0.795264 2.72523e-16 385 63.54 0.00521957 -3.53927 63.540000 Cu 0.409296 0.79319 1 350 63.54 0.0025572 -3.53964 63.540000 Cu 0.440374 0.775796 0.5 351 63.54 0.0012925 -3.53963 63.540000 Cu 0.475803 0.7917 1 353 63.54 0.000252533 -3.53936 63.540000 Cu 0.444755 0.808971 0.5 356 63.54 0.00126957 -3.53937 63.540000 Cu 0.542192 0.790343 0 312 63.54 0.00102681 -3.53934 63.540000 Cu 0.573193 0.772859 0.5 313 63.54 0.00187534 -3.5396 63.540000 Cu 0.506838 0.774382 0.5 314 63.54 0.000164091 -3.53945 63.540000 Cu 0.577556 0.806267 0.5 318 63.54 0.00257983 -3.53925 63.540000 Cu 0.511214 0.807687 0.5 355 63.54 0.000297088 -3.53916 63.540000 Cu 0.674679 0.78625 1 266 63.54 0.00293677 -3.53936 63.540000 Cu 0.639451 0.77083 0.5 268 63.54 0.00294892 -3.53965 63.540000 Cu 0.608476 0.788639 0 315 63.54 0.00357838 -3.53949 63.540000 Cu 0.643737 0.80425 0.5 317 63.54 0.00441686 -3.53922 63.540000 Cu 0.772004 0.765104 0.5 218 63.54 0.000522996 -3.53907 63.540000 Cu 0.705684 0.768163 0.5 267 63.54 0.00124945 -3.5393 63.540000 Cu 0.740927 0.783255 1.22521e-16 269 63.54 0.000497445 -3.53896 63.540000 Cu 0.776171 0.798178 0.5 271 63.54 0.00144607 -3.53864 63.540000 Cu 0.709875 0.801448 0.5 272 63.54 0.00194692 -3.53887 63.540000 Cu 0.807336 0.780134 5.85606e-17 216 63.54 0.00259071 -3.53914 63.540000 Cu 0.83849 0.76225 0.5 217 63.54 0.00316316 -3.53956 63.540000 Cu 0.873858 0.777603 2.82003e-17 219 63.54 0.0039738 -3.53971 63.540000 Cu 0.842702 0.795264 0.5 222 63.54 0.00521957 -3.53927 63.540000 Cu 0.940374 0.775796 2.44802e-16 166 63.54 0.0012925 -3.53963 63.540000 Cu 0.975803 0.7917 0.5 172 63.54 0.000252533 -3.53936 63.540000 Cu 0.909296 0.79319 0.5 221 63.54 0.0025572 -3.53964 63.540000 Cu 0.944755 0.808971 1 223 63.54 0.00126957 -3.53937 63.540000 Cu 0.0819944 0.839773 0 174 63.54 0.00392237 -3.5386 63.540000 Cu 0.0466283 0.823738 0.5 176 63.54 0.00153397 -3.53896 63.540000 Cu 0.0156867 0.841014 3.67684e-16 227 63.54 0.000543886 -3.53868 63.540000 Cu 0.178904 0.819673 0.5 133 63.54 0.00479938 -3.53865 63.540000 Cu 0.112852 0.822127 0.5 175 63.54 0.0053919 -3.53897 63.540000 Cu 0.148042 0.837818 0 177 63.54 0.00786565 -3.53826 63.540000 Cu 0.183143 0.85327 0.5 179 63.54 0.00961855 -3.53707 63.540000 Cu 0.117267 0.855756 0.5 180 63.54 0.00830186 -3.53788 63.540000 Cu 0.214012 0.834826 1.20001e-19 132 63.54 0.0039209 -3.53783 63.540000 Cu 0.245053 0.816435 0.5 412 63.54 0.00114993 -3.53823 63.540000 Cu 0.280275 0.831186 2.61603e-17 413 63.54 0.00464735 -3.53739 63.540000 Cu 0.249092 0.849681 0.5 416 63.54 0.00413989 -3.53647 63.540000 Cu 0.346946 0.828167 3.42003e-17 386 63.54 0.00888167 -3.5386 63.540000 Cu 0.378157 0.810623 0.5 387 63.54 0.00498464 -3.53941 63.540000 Cu 0.311518 0.813092 0.5 388 63.54 0.00586995 -3.53849 63.540000 Cu 0.382463 0.843541 0.5 392 63.54 0.00665466 -3.53872 63.540000 Cu 0.315634 0.845921 0.5 415 63.54 0.0142642 -3.53699 63.540000 Cu 0.480216 0.824938 9.03609e-17 354 63.54 0.000341977 -3.53905 63.540000 Cu 0.413656 0.826244 1 389 63.54 0.00305258 -3.53927 63.540000 Cu 0.449174 0.842105 0.5 391 63.54 0.00128303 -3.53892 63.540000 Cu 0.546628 0.823738 1.63202e-17 357 63.54 0.00153397 -3.53896 63.540000 Cu 0.581994 0.839773 0.5 359 63.54 0.00392237 -3.5386 63.540000 Cu 0.515687 0.841014 0.5 360 63.54 0.000543886 -3.53868 63.540000 Cu 0.612852 0.822127 1 316 63.54 0.0053919 -3.53897 63.540000 Cu 0.678904 0.819673 1.20001e-19 319 63.54 0.00479938 -3.53865 63.540000 Cu 0.683143 0.85327 1.77002e-16 320 63.54 0.00961855 -3.53707 63.540000 Cu 0.648042 0.837818 0.5 322 63.54 0.00786565 -3.53826 63.540000 Cu 0.617267 0.855756 1 361 63.54 0.00830186 -3.53788 63.540000 Cu 0.745053 0.816435 1 270 63.54 0.00114993 -3.53823 63.540000 Cu 0.780275 0.831186 0.5 276 63.54 0.00464735 -3.53739 63.540000 Cu 0.714012 0.834826 0.5 321 63.54 0.0039209 -3.53783 63.540000 Cu 0.749092 0.849681 9.07209e-17 323 63.54 0.00413989 -3.53647 63.540000 Cu 0.878157 0.810623 1 220 63.54 0.00498464 -3.53941 63.540000 Cu 0.811518 0.813092 1 273 63.54 0.00586995 -3.53849 63.540000 Cu 0.815634 0.845921 1.41601e-17 274 63.54 0.0142642 -3.53699 63.540000 Cu 0.846946 0.828167 0.5 275 63.54 0.00888167 -3.5386 63.540000 Cu 0.882463 0.843541 1 277 63.54 0.00665466 -3.53872 63.540000 Cu 0.949174 0.842105 9.48009e-18 224 63.54 0.00128303 -3.53892 63.540000 Cu 0.980216 0.824938 0.5 225 63.54 0.000341977 -3.53905 63.540000 Cu 0.913656 0.826244 0.5 226 63.54 0.00305258 -3.53927 63.540000 Cu 0.0511404 0.857186 0.5 229 63.54 0.00199744 -3.53827 63.540000 Cu 0.0202765 0.874382 1.22761e-16 228 63.54 0.000908647 -3.5379 63.540000 Cu 0.0865449 0.873395 2.82003e-17 231 63.54 0.00567004 -3.53745 63.540000 Cu 0.0557894 0.890697 0.5 234 63.54 0.00238014 -3.53726 63.540000 Cu 0.152463 0.871587 1 178 63.54 0.0152323 -3.53627 63.540000 Cu 0.121865 0.889573 0.5 233 63.54 0.0134697 -3.53567 63.540000 Cu 0.187484 0.887124 0.5 183 63.54 0.0217646 -3.53328 63.540000 Cu 0.218158 0.868346 0 181 63.54 0.0097098 -3.53541 63.540000 Cu 0.222401 0.902141 1 182 63.54 0.0302178 -3.52874 63.540000 Cu 0.284299 0.864048 1 414 63.54 0.0181458 -3.53401 63.540000 Cu 0.253078 0.883016 0.5 434 63.54 0.0183863 -3.53117 63.540000 Cu 0.288338 0.89662 5.20805e-17 435 63.54 0.0882285 -3.52152 63.540000 Cu 0.35118 0.860916 1 417 63.54 0.0153017 -3.53716 63.540000 Cu 0.355566 0.893451 0 418 63.54 0.025282 -3.53473 63.540000 Cu 0.386859 0.876318 0.5 419 63.54 0.0091676 -3.53742 63.540000 Cu 0.319792 0.878525 0.5 420 63.54 0.037187 -3.53356 63.540000 Cu 0.418054 0.859224 7.47607e-17 390 63.54 0.003507 -3.53854 63.540000 Cu 0.484719 0.858159 0 393 63.54 0.00063746 -3.53845 63.540000 Cu 0.453695 0.875198 0.5 396 63.54 0.00133795 -3.53809 63.540000 Cu 0.422607 0.892125 3.68404e-17 421 63.54 0.0035162 -3.53739 63.540000 Cu 0.489337 0.89138 1 394 63.54 0.000912125 -3.53763 63.540000 Cu 0.55114 0.857186 1.82402e-17 358 63.54 0.00199744 -3.53827 63.540000 Cu 0.586545 0.873395 0.5 364 63.54 0.00567004 -3.53745 63.540000 Cu 0.520276 0.874382 0.5 395 63.54 0.000908647 -3.5379 63.540000 Cu 0.555789 0.890697 0 397 63.54 0.00238014 -3.53726 63.540000 Cu 0.621865 0.889573 1.78562e-16 362 63.54 0.0134697 -3.53567 63.540000 Cu 0.652463 0.871587 0.5 363 63.54 0.0152323 -3.53627 63.540000 Cu 0.687484 0.887124 1.20001e-19 365 63.54 0.0217646 -3.53328 63.540000 Cu 0.753078 0.883016 0 324 63.54 0.0183863 -3.53117 63.540000 Cu 0.784299 0.864048 0.5 325 63.54 0.0181458 -3.53401 63.540000 Cu 0.718158 0.868346 0.5 326 63.54 0.0097098 -3.53541 63.540000 Cu 0.722401 0.902141 0.5 367 63.54 0.0302178 -3.52874 63.540000 Cu 0.788338 0.89662 0.5 330 63.54 0.0882285 -3.52152 63.540000 Cu 0.886859 0.876318 1 278 63.54 0.0091676 -3.53742 63.540000 Cu 0.85118 0.860916 0.5 280 63.54 0.0153017 -3.53716 63.540000 Cu 0.819792 0.878525 1.22401e-16 327 63.54 0.037187 -3.53356 63.540000 Cu 0.855566 0.893451 0.5 329 63.54 0.025282 -3.53473 63.540000 Cu 0.989337 0.89138 0.5 283 63.54 0.000912125 -3.53763 63.540000 Cu 0.984719 0.858159 0.5 230 63.54 0.00063746 -3.53845 63.540000 Cu 0.918054 0.859224 0.5 279 63.54 0.003507 -3.53854 63.540000 Cu 0.953695 0.875198 1 281 63.54 0.00133795 -3.53809 63.540000 Cu 0.922607 0.892125 0.5 284 63.54 0.0035162 -3.53739 63.540000 Cu 0.0248836 0.90775 1.20001e-19 285 63.54 0.0016032 -3.53734 63.540000 Cu 0.028908 0.941113 1 286 63.54 0.00924617 -3.53798 63.540000 Cu 0.0603043 0.924253 0.5 287 63.54 0.00416097 -3.53695 63.540000 Cu 0.0912414 0.907132 1.78202e-16 232 63.54 0.00754067 -3.53613 63.540000 Cu 0.0956372 0.940875 7.20007e-19 289 63.54 0.0120979 -3.53652 63.540000 Cu 0.157091 0.905652 0 235 63.54 0.0319612 -3.53149 63.540000 Cu 0.162285 0.940256 4.21204e-17 236 63.54 0.109334 -3.5249 63.540000 Cu 0.126646 0.923643 0.5 238 63.54 0.0257459 -3.53271 63.540000 Cu 0.191926 0.921439 0.5 237 63.54 0.0649523 -3.51781 63.540000 Cu 0.226857 0.936491 0 239 63.54 0.245554 -3.47978 63.540000 Cu 0.256879 0.916676 0.5 438 63.54 0.115659 -3.51251 63.540000 Cu 0.259585 0.950927 0.5 448 63.54 5.8161 -3.34879 63.540000 Cu 0.29265 0.928529 1.22521e-16 436 63.54 0.50259 -3.48115 63.540000 Cu 0.32409 0.910804 0.5 437 63.54 0.107175 -3.52574 63.540000 Cu 0.360091 0.925794 1 439 63.54 0.0322905 -3.53246 63.540000 Cu 0.328467 0.942715 0.5 442 63.54 0.323838 -3.50662 63.540000 Cu 0.391377 0.908973 0.5 424 63.54 0.0104899 -3.53581 63.540000 Cu 0.395483 0.941597 0.5 441 63.54 0.0146345 -3.53568 63.540000 Cu 0.427038 0.924973 1.60202e-16 422 63.54 0.00614004 -3.53694 63.540000 Cu 0.45827 0.908246 0.5 423 63.54 0.00213861 -3.53731 63.540000 Cu 0.462202 0.94131 0.5 428 63.54 0.00870128 -3.53795 63.540000 Cu 0.493729 0.924603 1.42081e-16 425 63.54 0.00366906 -3.53759 63.540000 Cu 0.560304 0.924253 1.38961e-16 398 63.54 0.00416097 -3.53695 63.540000 Cu 0.524884 0.90775 0.5 400 63.54 0.0016032 -3.53734 63.540000 Cu 0.528908 0.941113 0.5 427 63.54 0.00924617 -3.53798 63.540000 Cu 0.591241 0.907132 0.5 399 63.54 0.00754067 -3.53613 63.540000 Cu 0.595637 0.940875 0.5 404 63.54 0.0120979 -3.53652 63.540000 Cu 0.657091 0.905652 0.5 368 63.54 0.0319612 -3.53149 63.540000 Cu 0.626646 0.923643 3.84004e-17 401 63.54 0.0257459 -3.53271 63.540000 Cu 0.662285 0.940256 0.5 403 63.54 0.109334 -3.5249 63.540000 Cu 0.691926 0.921439 1.20001e-19 366 63.54 0.0649523 -3.51781 63.540000 Cu 0.756879 0.916676 1.22641e-16 369 63.54 0.115659 -3.51251 63.540000 Cu 0.759585 0.950927 1 370 63.54 5.8161 -3.34879 63.540000 Cu 0.726857 0.936491 0.5 372 63.54 0.245554 -3.47978 63.540000 Cu 0.79265 0.928529 0.5 371 63.54 0.50259 -3.48115 63.540000 Cu 0.82409 0.910804 7.65608e-17 328 63.54 0.107175 -3.52574 63.540000 Cu 0.860091 0.925794 0.5 334 63.54 0.0322905 -3.53246 63.540000 Cu 0.828467 0.942715 1.20001e-19 373 63.54 0.323838 -3.50662 63.540000 Cu 0.891377 0.908973 4.65605e-17 331 63.54 0.0104899 -3.53581 63.540000 Cu 0.895483 0.941597 1.22641e-16 332 63.54 0.0146345 -3.53568 63.540000 Cu 0.993729 0.924603 0.5 288 63.54 0.00366906 -3.53759 63.540000 Cu 0.95827 0.908246 1.22401e-16 282 63.54 0.00213861 -3.53731 63.540000 Cu 0.927038 0.924973 0.5 333 63.54 0.00614004 -3.53694 63.540000 Cu 0.962202 0.94131 1.22521e-16 335 63.54 0.00870128 -3.53795 63.540000 Cu 0.063646 0.957757 0.5 292 63.54 0.019051 -3.53806 63.540000 Cu 0.0307858 0.974454 1 339 63.54 0.0256444 -3.53885 63.540000 Cu 0.0637292 0.991195 0.5 340 63.54 0.0198452 -3.53822 63.540000 Cu 0.0979652 0.974485 1.20001e-19 290 63.54 0.0463506 -3.53593 63.540000 Cu 0.197462 0.957238 0.5 241 63.54 0.490363 -3.4797 63.540000 Cu 0.130628 0.957611 0.5 291 63.54 0.0294135 -3.53411 63.540000 Cu 0.165886 0.974473 1.69202e-16 293 63.54 0.160485 -3.51955 63.540000 Cu 0.130695 0.991361 0.5 295 63.54 0.0295863 -3.53416 63.540000 Cu 0.197551 0.991679 0.5 294 63.54 0.483961 -3.48032 63.540000 Cu 0.259726 0.997894 0.5 512 63.54 5.82028 -3.34883 63.540000 Cu 0.235974 0.974436 7.20007e-17 240 63.54 5.11985 -3.37364 63.540000 Cu 0.29683 0.959448 4.39204e-17 449 63.54 5.62724 -3.43144 63.540000 Cu 0.296928 0.989342 1.20001e-19 450 63.54 5.6223 -3.4314 63.540000 Cu 0.363852 0.958093 5.52006e-18 440 63.54 0.0486686 -3.53204 63.540000 Cu 0.331549 0.974389 0.5 451 63.54 3.45138 -3.45769 63.540000 Cu 0.363961 0.990678 3.28803e-17 453 63.54 0.0486616 -3.53215 63.540000 Cu 0.397607 0.974396 0.5 446 63.54 0.0320025 -3.53676 63.540000 Cu 0.430229 0.957901 0 443 63.54 0.0190835 -3.53803 63.540000 Cu 0.430318 0.990907 4.47604e-17 444 63.54 0.0193901 -3.53821 63.540000 Cu 0.464012 0.974421 0.5 445 63.54 0.0227053 -3.53907 63.540000 Cu 0.496829 0.957828 1 426 63.54 0.0166896 -3.53887 63.540000 Cu 0.496923 0.991061 1.22401e-16 447 63.54 0.01756 -3.53905 63.540000 Cu 0.563646 0.957757 9.6841e-17 429 63.54 0.019051 -3.53806 63.540000 Cu 0.563729 0.991195 1 430 63.54 0.0198452 -3.53822 63.540000 Cu 0.530786 0.974454 0.5 432 63.54 0.0256444 -3.53885 63.540000 Cu 0.597965 0.974485 0.5 431 63.54 0.0463506 -3.53593 63.540000 Cu 0.697462 0.957238 2.36402e-17 405 63.54 0.490363 -3.4797 63.540000 Cu 0.630628 0.957611 0 402 63.54 0.0294135 -3.53411 63.540000 Cu 0.665886 0.974473 0.5 408 63.54 0.160485 -3.51955 63.540000 Cu 0.630695 0.991361 0 433 63.54 0.0295863 -3.53416 63.540000 Cu 0.697551 0.991679 1.24321e-16 406 63.54 0.483961 -3.48032 63.540000 Cu 0.759726 0.997894 1 455 63.54 5.82028 -3.34883 63.540000 Cu 0.735974 0.974436 0.5 407 63.54 5.11985 -3.37364 63.540000 Cu 0.79683 0.959448 0.5 376 63.54 5.62724 -3.43144 63.540000 Cu 0.796928 0.989342 0.5 410 63.54 5.6223 -3.4314 63.540000 Cu 0.831549 0.974389 8.82009e-17 374 63.54 3.45138 -3.45769 63.540000 Cu 0.863852 0.958093 0.5 375 63.54 0.0486686 -3.53204 63.540000 Cu 0.863961 0.990678 0.5 379 63.54 0.0486616 -3.53215 63.540000 Cu 0.897607 0.974396 0 377 63.54 0.0320025 -3.53676 63.540000 Cu 0.996829 0.957828 0.5 337 63.54 0.0166896 -3.53887 63.540000 Cu 0.996923 0.991061 0.5 341 63.54 0.01756 -3.53905 63.540000 Cu 0.964012 0.974421 0 336 63.54 0.0227053 -3.53907 63.540000 Cu 0.930229 0.957901 0.5 338 63.54 0.0190835 -3.53803 63.540000 Cu 0.930318 0.990907 0.5 378 63.54 0.0193901 -3.53821