Number of particles = 900 A = 1 Angstrom (basic length-scale) H0(1,1) = 38.3754 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 76.8274 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61162 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 0.0641808 0.0222785 6.08503e-17 586 63.546 0.0252781 -3.5379 63.546000 Cu 0.0314053 0.00553942 0.5 587 63.546 0.0333011 -3.53902 63.546000 Cu 0.0292077 0.0388738 0.5 588 63.546 0.00946598 -3.5377 63.546000 Cu 0.0986053 0.00556368 0.5 589 63.546 0.0591957 -3.53628 63.546000 Cu 0.131153 0.0224216 1 635 63.546 0.0350912 -3.53369 63.546000 Cu 0.166431 0.00555115 0.5 637 63.546 0.165318 -3.52128 63.546000 Cu 0.0958397 0.0391941 0.5 633 63.546 0.00874051 -3.53585 63.546000 Cu 0.162392 0.0396937 0.5 638 63.546 0.102371 -3.52445 63.546000 Cu 0.19823 0.0227849 3.87256e-18 636 63.546 0.538002 -3.48748 63.546000 Cu 0.236587 0.00550591 0.5 639 63.546 5.17632 -3.37343 63.546000 Cu 0.261266 0.029952 0 693 63.546 5.4566 -3.36139 63.546000 Cu 0.332947 0.00543636 1 455 63.546 3.73937 -3.44595 63.546000 Cu 0.328945 0.0372667 0 694 63.546 0.260378 -3.51438 63.546000 Cu 0.298548 0.0205251 0.5 695 63.546 7.10182 -3.37812 63.546000 Cu 0.398182 0.00543368 9.00596e-20 456 63.546 0.0348791 -3.5362 63.546000 Cu 0.364679 0.0217881 0.5 457 63.546 0.0617209 -3.53154 63.546000 Cu 0.395869 0.038279 6.00397e-20 461 63.546 0.0156711 -3.53503 63.546000 Cu 0.462528 0.0385991 1.22901e-16 462 63.546 0.00910347 -3.53777 63.546000 Cu 0.430852 0.0219384 0.5 463 63.546 0.0273524 -3.53806 63.546000 Cu 0.46467 0.00546541 3.00199e-20 465 63.546 0.0304297 -3.53933 63.546000 Cu 0.497369 0.0221256 0.5 467 63.546 0.0214754 -3.53889 63.546000 Cu 0.531405 0.00553942 5.70378e-18 466 63.546 0.0333011 -3.53902 63.546000 Cu 0.529208 0.0388738 9.39622e-17 479 63.546 0.00946598 -3.5377 63.546000 Cu 0.564181 0.0222785 0.5 481 63.546 0.0252781 -3.5379 63.546000 Cu 0.598605 0.00556368 3.46129e-17 483 63.546 0.0591957 -3.53628 63.546000 Cu 0.666431 0.00555115 8.65173e-17 484 63.546 0.165318 -3.52128 63.546000 Cu 0.631153 0.0224216 0.5 485 63.546 0.0350912 -3.53369 63.546000 Cu 0.59584 0.0391941 8.72077e-17 480 63.546 0.00874051 -3.53585 63.546000 Cu 0.662392 0.0396937 1.22781e-16 505 63.546 0.102371 -3.52445 63.546000 Cu 0.69823 0.0227849 0.5 507 63.546 0.538002 -3.48748 63.546000 Cu 0.736587 0.00550591 2.03835e-17 509 63.546 5.17632 -3.37343 63.546000 Cu 0.761266 0.029952 0.5 511 63.546 5.4566 -3.36139 63.546000 Cu 0.798548 0.0205251 1 510 63.546 7.10182 -3.37812 63.546000 Cu 0.832947 0.00543636 0.5 512 63.546 3.73937 -3.44595 63.546000 Cu 0.828945 0.0372667 0.5 541 63.546 0.260378 -3.51438 63.546000 Cu 0.864679 0.0217881 1.22571e-16 543 63.546 0.0617209 -3.53154 63.546000 Cu 0.898182 0.00543368 0.5 545 63.546 0.0348791 -3.5362 63.546000 Cu 0.895869 0.038279 0.5 546 63.546 0.0156711 -3.53503 63.546000 Cu 0.930852 0.0219384 1.22541e-16 544 63.546 0.0273524 -3.53806 63.546000 Cu 0.96467 0.00546541 0.5 547 63.546 0.0304297 -3.53933 63.546000 Cu 0.962528 0.0385991 0.5 583 63.546 0.00910347 -3.53777 63.546000 Cu 0.997369 0.0221256 0 585 63.546 0.0214754 -3.53889 63.546000 Cu 0.0248144 0.0722441 0.5 629 63.546 0.00120173 -3.53711 63.546000 Cu 0.0603678 0.055791 7.42692e-17 631 63.546 0.00269181 -3.53666 63.546000 Cu 0.0911791 0.0729146 0.5 634 63.546 0.00533669 -3.53585 63.546000 Cu 0.126682 0.05637 2.76483e-17 632 63.546 0.0225495 -3.53249 63.546000 Cu 0.157053 0.0742916 0.5 687 63.546 0.0322322 -3.53157 63.546000 Cu 0.192063 0.0584524 1 689 63.546 0.0747112 -3.51979 63.546000 Cu 0.226987 0.0433553 0.5 691 63.546 0.26702 -3.48166 63.546000 Cu 0.222368 0.0777212 0.5 692 63.546 0.0400661 -3.52871 63.546000 Cu 0.256971 0.0634238 4.58704e-17 690 63.546 0.0812312 -3.51624 63.546000 Cu 0.292573 0.0514297 0.5 696 63.546 0.410548 -3.48666 63.546000 Cu 0.324015 0.0691817 0 751 63.546 0.108598 -3.52758 63.546000 Cu 0.391278 0.070902 1.67541e-16 458 63.546 0.00787776 -3.53571 63.546000 Cu 0.360176 0.0541048 0.5 459 63.546 0.0291526 -3.53224 63.546000 Cu 0.42711 0.0548923 0.5 464 63.546 0.00401454 -3.53663 63.546000 Cu 0.45818 0.0716673 0 475 63.546 0.00143436 -3.53717 63.546000 Cu 0.493826 0.0553539 0.5 477 63.546 0.00306258 -3.5373 63.546000 Cu 0.524814 0.0722441 3.00199e-20 476 63.546 0.00120173 -3.53711 63.546000 Cu 0.560368 0.055791 0.5 482 63.546 0.00269181 -3.53666 63.546000 Cu 0.591179 0.0729146 3.00199e-20 501 63.546 0.00533669 -3.53585 63.546000 Cu 0.657053 0.0742916 1.94829e-17 502 63.546 0.0322322 -3.53157 63.546000 Cu 0.626682 0.05637 0.5 503 63.546 0.0225495 -3.53249 63.546000 Cu 0.726987 0.0433553 0 506 63.546 0.26702 -3.48166 63.546000 Cu 0.692063 0.0584524 0.5 508 63.546 0.0747112 -3.51979 63.546000 Cu 0.722368 0.0777212 1 535 63.546 0.0400661 -3.52871 63.546000 Cu 0.756971 0.0634238 0.5 537 63.546 0.0812312 -3.51624 63.546000 Cu 0.792573 0.0514297 1 539 63.546 0.410548 -3.48666 63.546000 Cu 0.824015 0.0691817 0.5 542 63.546 0.108598 -3.52758 63.546000 Cu 0.860176 0.0541048 5.41258e-17 540 63.546 0.0291526 -3.53224 63.546000 Cu 0.891278 0.070902 0.5 579 63.546 0.00787776 -3.53571 63.546000 Cu 0.92711 0.0548923 0 581 63.546 0.00401454 -3.53663 63.546000 Cu 0.993826 0.0553539 3.60238e-18 582 63.546 0.00306258 -3.5373 63.546000 Cu 0.95818 0.0716673 0.5 584 63.546 0.00143436 -3.53717 63.546000 Cu 0.05559 0.0893128 4.28684e-17 628 63.546 0.00157223 -3.53718 63.546000 Cu 0.020002 0.1056 0.5 630 63.546 0.000631116 -3.53797 63.546000 Cu 0.0863354 0.106606 0.5 683 63.546 0.00432848 -3.53751 63.546000 Cu 0.121726 0.0903946 1.68111e-18 685 63.546 0.0129176 -3.53568 63.546000 Cu 0.152298 0.108327 0.5 688 63.546 0.0166909 -3.53635 63.546000 Cu 0.187388 0.092751 1.22601e-16 686 63.546 0.0267981 -3.53342 63.546000 Cu 0.217991 0.111558 0.5 745 63.546 0.012134 -3.53521 63.546000 Cu 0.252956 0.0969701 1.22571e-16 747 63.546 0.0176754 -3.53108 63.546000 Cu 0.319636 0.101487 0 748 63.546 0.041187 -3.53425 63.546000 Cu 0.28827 0.0834362 0.5 749 63.546 0.0982196 -3.52274 63.546000 Cu 0.28408 0.11598 0.5 750 63.546 0.022775 -3.53398 63.546000 Cu 0.355394 0.0864776 0.5 460 63.546 0.0230451 -3.53534 63.546000 Cu 0.350951 0.119042 0.5 469 63.546 0.0150968 -3.53746 63.546000 Cu 0.386624 0.103591 0 471 63.546 0.00773495 -3.53765 63.546000 Cu 0.422383 0.0877564 0.5 473 63.546 0.00232524 -3.53741 63.546000 Cu 0.453432 0.104706 1 472 63.546 0.00102018 -3.53818 63.546000 Cu 0.489122 0.0885622 0.5 478 63.546 0.000736165 -3.5376 63.546000 Cu 0.520002 0.1056 1.22811e-16 497 63.546 0.000631116 -3.53797 63.546000 Cu 0.55559 0.0893128 0.5 499 63.546 0.00157223 -3.53718 63.546000 Cu 0.586335 0.106606 6.74847e-17 498 63.546 0.00432848 -3.53751 63.546000 Cu 0.621726 0.0903946 0.5 504 63.546 0.0129176 -3.53568 63.546000 Cu 0.652298 0.108327 8.64272e-17 531 63.546 0.0166909 -3.53635 63.546000 Cu 0.717991 0.111558 1 532 63.546 0.012134 -3.53521 63.546000 Cu 0.687388 0.092751 0.5 533 63.546 0.0267981 -3.53342 63.546000 Cu 0.752956 0.0969701 0.5 538 63.546 0.0176754 -3.53108 63.546000 Cu 0.78827 0.0834362 1.82461e-16 536 63.546 0.0982196 -3.52274 63.546000 Cu 0.78408 0.11598 9.00596e-20 573 63.546 0.022775 -3.53398 63.546000 Cu 0.819636 0.101487 0.5 575 63.546 0.041187 -3.53425 63.546000 Cu 0.850951 0.119042 1.20079e-19 574 63.546 0.0150968 -3.53746 63.546000 Cu 0.855394 0.0864776 0 577 63.546 0.0230451 -3.53534 63.546000 Cu 0.886624 0.103591 0.5 580 63.546 0.00773495 -3.53765 63.546000 Cu 0.922383 0.0877564 3.07704e-17 578 63.546 0.00232524 -3.53741 63.546000 Cu 0.953432 0.104706 0.5 625 63.546 0.00102018 -3.53818 63.546000 Cu 0.989122 0.0885622 8.62771e-17 627 63.546 0.000736165 -3.5376 63.546000 Cu 0.0462239 0.15621 0 678 63.546 0.00125146 -3.53889 63.546000 Cu 0.0153362 0.138918 0.5 679 63.546 0.00047216 -3.53868 63.546000 Cu 0.0508577 0.122789 1.82521e-17 681 63.546 0.00150008 -3.53828 63.546000 Cu 0.0816639 0.140181 0.5 684 63.546 0.00338672 -3.53856 63.546000 Cu 0.117043 0.124185 6.00397e-20 682 63.546 0.00839776 -3.53782 63.546000 Cu 0.112436 0.15781 2.52467e-17 739 63.546 0.00482526 -3.53889 63.546000 Cu 0.147738 0.1421 0.5 741 63.546 0.0083572 -3.53831 63.546000 Cu 0.182919 0.126628 3.96863e-17 743 63.546 0.0115277 -3.53701 63.546000 Cu 0.248812 0.130287 0 744 63.546 0.00444847 -3.53634 63.546000 Cu 0.213698 0.145093 0.5 746 63.546 0.00476568 -3.53781 63.546000 Cu 0.279912 0.148823 0.5 795 63.546 0.00660955 -3.53746 63.546000 Cu 0.315347 0.134084 1 797 63.546 0.0167851 -3.53726 63.546000 Cu 0.346563 0.151777 0.5 470 63.546 0.00845246 -3.53879 63.546000 Cu 0.382145 0.136384 3.65642e-17 468 63.546 0.00630825 -3.53877 63.546000 Cu 0.413249 0.153644 0.5 491 63.546 0.00230665 -3.53923 63.546000 Cu 0.417769 0.120656 0.5 474 63.546 0.00224473 -3.53856 63.546000 Cu 0.448809 0.137785 3.00199e-20 493 63.546 0.000809465 -3.53893 63.546000 Cu 0.484412 0.121771 0.5 495 63.546 0.000507859 -3.5385 63.546000 Cu 0.479807 0.154974 0.5 496 63.546 0.000351192 -3.53902 63.546000 Cu 0.515336 0.138918 6.00397e-20 494 63.546 0.00047216 -3.53868 63.546000 Cu 0.550858 0.122789 0.5 500 63.546 0.00150008 -3.53828 63.546000 Cu 0.546224 0.15621 0.5 525 63.546 0.00125146 -3.53889 63.546000 Cu 0.581664 0.140181 1 527 63.546 0.00338672 -3.53856 63.546000 Cu 0.647738 0.1421 1 528 63.546 0.0083572 -3.53831 63.546000 Cu 0.617043 0.124185 0.5 529 63.546 0.00839776 -3.53782 63.546000 Cu 0.612436 0.15781 0.5 530 63.546 0.00482526 -3.53889 63.546000 Cu 0.682919 0.126628 0.5 534 63.546 0.0115277 -3.53701 63.546000 Cu 0.713698 0.145093 1 569 63.546 0.00476568 -3.53781 63.546000 Cu 0.748812 0.130287 0.5 571 63.546 0.00444847 -3.53634 63.546000 Cu 0.779912 0.148823 1 570 63.546 0.00660955 -3.53746 63.546000 Cu 0.815347 0.134084 0.5 576 63.546 0.0167851 -3.53726 63.546000 Cu 0.846563 0.151777 9.00596e-20 619 63.546 0.00845246 -3.53879 63.546000 Cu 0.913249 0.153644 0 620 63.546 0.00230665 -3.53923 63.546000 Cu 0.882145 0.136384 0.5 621 63.546 0.00630825 -3.53877 63.546000 Cu 0.917769 0.120656 1 623 63.546 0.00224473 -3.53856 63.546000 Cu 0.984412 0.121771 2.95996e-17 624 63.546 0.000507859 -3.5385 63.546000 Cu 0.948809 0.137785 0.5 626 63.546 0.000809465 -3.53893 63.546000 Cu 0.979807 0.154974 0 677 63.546 0.000351192 -3.53902 63.546000 Cu 0.0415166 0.189588 1 735 63.546 0.000875825 -3.53906 63.546000 Cu 0.0770428 0.173676 0.5 737 63.546 0.00207035 -3.53909 63.546000 Cu 0.0107284 0.172231 0.5 680 63.546 0.000419993 -3.53898 63.546000 Cu 0.107793 0.191285 0 736 63.546 0.00345152 -3.53935 63.546000 Cu 0.143239 0.175642 0.5 742 63.546 0.00575676 -3.53925 63.546000 Cu 0.178504 0.16022 1.22781e-16 740 63.546 0.0060784 -3.53871 63.546000 Cu 0.17394 0.193654 1.50099e-19 789 63.546 0.00371204 -3.53947 63.546000 Cu 0.240118 0.196715 1.20079e-19 790 63.546 0.000462477 -3.53925 63.546000 Cu 0.209317 0.178473 0.5 791 63.546 0.00233469 -3.53902 63.546000 Cu 0.244612 0.163517 1 793 63.546 0.00134325 -3.53832 63.546000 Cu 0.311042 0.166895 9.00596e-20 794 63.546 0.00751094 -3.53875 63.546000 Cu 0.275564 0.181809 0.5 796 63.546 0.00230841 -3.53891 63.546000 Cu 0.306497 0.199844 0 835 63.546 0.00359817 -3.53946 63.546000 Cu 0.342071 0.184673 0.5 487 63.546 0.00529654 -3.53949 63.546000 Cu 0.377679 0.16929 0 489 63.546 0.00474596 -3.53941 63.546000 Cu 0.408661 0.186686 0.5 492 63.546 0.00204301 -3.53949 63.546000 Cu 0.444269 0.170905 1 490 63.546 0.000967846 -3.53927 63.546000 Cu 0.475135 0.188201 0.5 521 63.546 0.000339995 -3.53909 63.546000 Cu 0.510728 0.172231 1 523 63.546 0.000419993 -3.53898 63.546000 Cu 0.577043 0.173676 2.04135e-18 524 63.546 0.00207035 -3.53909 63.546000 Cu 0.541517 0.189588 0.5 526 63.546 0.000875825 -3.53906 63.546000 Cu 0.607793 0.191285 0.5 563 63.546 0.00345152 -3.53935 63.546000 Cu 0.643239 0.175642 6.00397e-20 565 63.546 0.00575676 -3.53925 63.546000 Cu 0.678504 0.16022 0.5 567 63.546 0.0060784 -3.53871 63.546000 Cu 0.67394 0.193654 0.5 568 63.546 0.00371204 -3.53947 63.546000 Cu 0.709317 0.178473 4.6861e-17 566 63.546 0.00233469 -3.53902 63.546000 Cu 0.744612 0.163517 0.5 572 63.546 0.00134325 -3.53832 63.546000 Cu 0.740118 0.196715 0.5 613 63.546 0.000462477 -3.53925 63.546000 Cu 0.775564 0.181809 1.22751e-16 615 63.546 0.00230841 -3.53891 63.546000 Cu 0.811042 0.166895 0.5 617 63.546 0.00751094 -3.53875 63.546000 Cu 0.806497 0.199844 0.5 618 63.546 0.00359817 -3.53946 63.546000 Cu 0.842071 0.184673 1 616 63.546 0.00529654 -3.53949 63.546000 Cu 0.877679 0.16929 0.5 622 63.546 0.00474596 -3.53941 63.546000 Cu 0.908661 0.186686 1 673 63.546 0.00204301 -3.53949 63.546000 Cu 0.975135 0.188201 0 674 63.546 0.000339995 -3.53909 63.546000 Cu 0.944269 0.170905 0.5 675 63.546 0.000967846 -3.53927 63.546000 Cu 0.0366327 0.222925 1 732 63.546 0.00050568 -3.53923 63.546000 Cu 0.0722353 0.207072 0.5 738 63.546 0.00142311 -3.53928 63.546000 Cu 0.00589609 0.205525 0.5 733 63.546 0.000141318 -3.53905 63.546000 Cu 0.0010384 0.238805 0.5 734 63.546 9.43969e-05 -3.53925 63.546000 Cu 0.102925 0.224669 1.78018e-17 785 63.546 0.00233706 -3.5396 63.546000 Cu 0.138445 0.209063 0.5 787 63.546 0.00364268 -3.53964 63.546000 Cu 0.169169 0.226977 0 786 63.546 0.00246614 -3.5398 63.546000 Cu 0.204651 0.211754 0.5 792 63.546 0.0015559 -3.53959 63.546000 Cu 0.235469 0.22985 3.00199e-20 831 63.546 0.000356568 -3.53949 63.546000 Cu 0.30182 0.232898 1 832 63.546 0.0023379 -3.53968 63.546000 Cu 0.270973 0.214865 0.5 833 63.546 0.000712465 -3.53942 63.546000 Cu 0.337387 0.217681 0.5 488 63.546 0.00346305 -3.53981 63.546000 Cu 0.373004 0.20229 0 486 63.546 0.00339651 -3.53971 63.546000 Cu 0.368203 0.235396 0 515 63.546 0.0029359 -3.53987 63.546000 Cu 0.403833 0.219806 0.5 517 63.546 0.00173622 -3.53965 63.546000 Cu 0.43462 0.237273 0 516 63.546 0.000964263 -3.5395 63.546000 Cu 0.439495 0.204072 0 519 63.546 0.000922194 -3.53934 63.546000 Cu 0.470251 0.221438 0.5 522 63.546 0.00021483 -3.5392 63.546000 Cu 0.505896 0.205525 0 520 63.546 0.000141318 -3.53905 63.546000 Cu 0.501038 0.238805 0 557 63.546 9.43969e-05 -3.53925 63.546000 Cu 0.536633 0.222925 0.5 559 63.546 0.00050568 -3.53923 63.546000 Cu 0.572235 0.207072 1 561 63.546 0.00142311 -3.53928 63.546000 Cu 0.638445 0.209063 5.70077e-17 562 63.546 0.00364268 -3.53964 63.546000 Cu 0.602925 0.224669 0.5 564 63.546 0.00233706 -3.5396 63.546000 Cu 0.669169 0.226977 0.5 609 63.546 0.00246614 -3.5398 63.546000 Cu 0.704651 0.211754 0 611 63.546 0.0015559 -3.53959 63.546000 Cu 0.735469 0.22985 0.5 614 63.546 0.000356568 -3.53949 63.546000 Cu 0.770973 0.214865 1.88255e-16 612 63.546 0.000712465 -3.53942 63.546000 Cu 0.80182 0.232898 0.5 667 63.546 0.0023379 -3.53968 63.546000 Cu 0.837387 0.217681 2.16143e-18 669 63.546 0.00346305 -3.53981 63.546000 Cu 0.903833 0.219806 1 670 63.546 0.00173622 -3.53965 63.546000 Cu 0.873004 0.20229 0.5 671 63.546 0.00339651 -3.53971 63.546000 Cu 0.868203 0.235396 0.5 672 63.546 0.0029359 -3.53987 63.546000 Cu 0.939495 0.204072 0.5 676 63.546 0.000922194 -3.53934 63.546000 Cu 0.93462 0.237273 0.5 729 63.546 0.000964263 -3.5395 63.546000 Cu 0.970251 0.221438 1.22631e-16 731 63.546 0.00021483 -3.5392 63.546000 Cu 0.0318354 0.256218 6.00397e-20 781 63.546 0.000417954 -3.53945 63.546000 Cu 0.0673791 0.240405 0.5 783 63.546 0.00107815 -3.53952 63.546000 Cu 0.0627167 0.273672 0.5 784 63.546 0.000941718 -3.53971 63.546000 Cu 0.0981888 0.257965 1.83421e-17 782 63.546 0.0017888 -3.53981 63.546000 Cu 0.133685 0.242383 0.5 788 63.546 0.002574 -3.53987 63.546000 Cu 0.129134 0.275597 0.5 825 63.546 0.00222493 -3.53992 63.546000 Cu 0.164558 0.260182 1 827 63.546 0.00259793 -3.53986 63.546000 Cu 0.230943 0.262978 1.79519e-17 828 63.546 0.000662751 -3.53937 63.546000 Cu 0.200009 0.244938 0.5 829 63.546 0.00179944 -3.53968 63.546000 Cu 0.195567 0.278058 0.5 830 63.546 0.00266173 -3.53953 63.546000 Cu 0.332677 0.250808 0.5 514 63.546 0.00327264 -3.53987 63.546000 Cu 0.266343 0.247965 0.5 834 63.546 0.000350879 -3.53943 63.546000 Cu 0.297254 0.266046 0 865 63.546 0.00220824 -3.53955 63.546000 Cu 0.363565 0.2686 1 513 63.546 0.00314904 -3.53988 63.546000 Cu 0.39904 0.252992 0.5 518 63.546 0.00181995 -3.53977 63.546000 Cu 0.429917 0.270519 1 553 63.546 0.00112685 -3.53961 63.546000 Cu 0.496322 0.272074 1 554 63.546 0.000125805 -3.53943 63.546000 Cu 0.465444 0.254685 0.5 555 63.546 0.000284815 -3.53938 63.546000 Cu 0.567379 0.240405 1 558 63.546 0.00107815 -3.53952 63.546000 Cu 0.531835 0.256218 0.5 560 63.546 0.000417954 -3.53945 63.546000 Cu 0.562717 0.273672 0 603 63.546 0.000941718 -3.53971 63.546000 Cu 0.629134 0.275597 2.45352e-16 604 63.546 0.00222493 -3.53992 63.546000 Cu 0.598189 0.257965 0.5 605 63.546 0.0017888 -3.53981 63.546000 Cu 0.633685 0.242383 1.22691e-16 607 63.546 0.002574 -3.53987 63.546000 Cu 0.664558 0.260182 0.5 610 63.546 0.00259793 -3.53986 63.546000 Cu 0.700009 0.244938 1.16087e-16 608 63.546 0.00179944 -3.53968 63.546000 Cu 0.695567 0.278058 3.00199e-20 661 63.546 0.00266173 -3.53953 63.546000 Cu 0.730943 0.262978 0.5 663 63.546 0.000662751 -3.53937 63.546000 Cu 0.766343 0.247965 1.41093e-18 665 63.546 0.000350879 -3.53943 63.546000 Cu 0.832677 0.250808 0 666 63.546 0.00327264 -3.53987 63.546000 Cu 0.797254 0.266046 0.5 668 63.546 0.00220824 -3.53955 63.546000 Cu 0.863565 0.2686 0.5 725 63.546 0.00314904 -3.53988 63.546000 Cu 0.89904 0.252992 0 727 63.546 0.00181995 -3.53977 63.546000 Cu 0.965444 0.254685 0 728 63.546 0.000284815 -3.53938 63.546000 Cu 0.929917 0.270519 0.5 730 63.546 0.00112685 -3.53961 63.546000 Cu 0.996322 0.272074 0.5 779 63.546 0.000125805 -3.53943 63.546000 Cu 0.0272646 0.289474 1 778 63.546 0.000368667 -3.53958 63.546000 Cu 0.0583077 0.306865 0.5 821 63.546 0.000918131 -3.53972 63.546000 Cu 0.093736 0.291162 1 823 63.546 0.00147656 -3.53987 63.546000 Cu 0.160206 0.293287 5.52065e-17 824 63.546 0.00341696 -3.53971 63.546000 Cu 0.124845 0.308692 0.5 826 63.546 0.00269439 -3.53977 63.546000 Cu 0.191372 0.311124 0.5 859 63.546 0.00380511 -3.53917 63.546000 Cu 0.226641 0.296085 1.59105e-16 861 63.546 0.00113613 -3.53906 63.546000 Cu 0.261933 0.281099 0.5 863 63.546 0.000214413 -3.53918 63.546000 Cu 0.257732 0.314259 0.5 864 63.546 0.000367003 -3.53873 63.546000 Cu 0.292935 0.299239 1 862 63.546 0.00200913 -3.53924 63.546000 Cu 0.328219 0.284029 0.5 866 63.546 0.00361657 -3.53971 63.546000 Cu 0.323954 0.317323 0.5 887 63.546 0.0041091 -3.53932 63.546000 Cu 0.359181 0.301903 1 549 63.546 0.00392095 -3.5397 63.546000 Cu 0.39451 0.286267 0.5 551 63.546 0.00208141 -3.53975 63.546000 Cu 0.39015 0.319651 0.5 552 63.546 0.00325752 -3.53952 63.546000 Cu 0.425463 0.303847 1 550 63.546 0.00143093 -3.53953 63.546000 Cu 0.460859 0.287969 0.5 556 63.546 0.000358039 -3.53947 63.546000 Cu 0.491828 0.305359 1 599 63.546 0.000172012 -3.53944 63.546000 Cu 0.558308 0.306865 3.00199e-20 600 63.546 0.000918131 -3.53972 63.546000 Cu 0.527265 0.289474 0.5 601 63.546 0.000368667 -3.53958 63.546000 Cu 0.593736 0.291162 0.5 606 63.546 0.00147656 -3.53987 63.546000 Cu 0.624845 0.308692 0 657 63.546 0.00269439 -3.53977 63.546000 Cu 0.660206 0.293287 0.5 659 63.546 0.00341696 -3.53971 63.546000 Cu 0.691372 0.311124 7.13872e-17 658 63.546 0.00380511 -3.53917 63.546000 Cu 0.726641 0.296085 0.5 664 63.546 0.00113613 -3.53906 63.546000 Cu 0.761933 0.281099 8.24346e-17 662 63.546 0.000214413 -3.53918 63.546000 Cu 0.757732 0.314259 1.82731e-16 719 63.546 0.000367003 -3.53873 63.546000 Cu 0.823954 0.317323 1.22661e-16 720 63.546 0.0041091 -3.53932 63.546000 Cu 0.792935 0.299239 0.5 721 63.546 0.00200913 -3.53924 63.546000 Cu 0.828219 0.284029 1.09212e-16 723 63.546 0.00361657 -3.53971 63.546000 Cu 0.89451 0.286267 2.45232e-16 724 63.546 0.00208141 -3.53975 63.546000 Cu 0.859181 0.301903 0.5 726 63.546 0.00392095 -3.5397 63.546000 Cu 0.89015 0.319651 0 773 63.546 0.00325752 -3.53952 63.546000 Cu 0.925463 0.303847 0.5 775 63.546 0.00143093 -3.53953 63.546000 Cu 0.960859 0.287969 0 777 63.546 0.000358039 -3.53947 63.546000 Cu 0.991828 0.305359 0.5 780 63.546 0.000172012 -3.53944 63.546000 Cu 0.0186719 0.355953 0 816 63.546 0.000366093 -3.53936 63.546000 Cu 0.022876 0.322711 1 819 63.546 0.000460755 -3.53954 63.546000 Cu 0.0540401 0.340027 0.5 822 63.546 0.000985676 -3.5396 63.546000 Cu 0.089434 0.324272 0 820 63.546 0.00175173 -3.53973 63.546000 Cu 0.0852661 0.357314 1.47097e-17 853 63.546 0.00211889 -3.53947 63.546000 Cu 0.120668 0.341691 0.5 855 63.546 0.00385391 -3.53948 63.546000 Cu 0.156047 0.3263 1 857 63.546 0.00518824 -3.53934 63.546000 Cu 0.151992 0.359185 0 854 63.546 0.00910333 -3.53865 63.546000 Cu 0.222545 0.329166 1.22541e-16 858 63.546 0.00234531 -3.53839 63.546000 Cu 0.187328 0.344077 0.5 860 63.546 0.00779107 -3.5384 63.546000 Cu 0.253744 0.347469 0.5 884 63.546 0.00126439 -3.53778 63.546000 Cu 0.28882 0.332513 0 886 63.546 0.00256112 -3.53864 63.546000 Cu 0.319851 0.350749 0.5 888 63.546 0.00619602 -3.53854 63.546000 Cu 0.354948 0.335313 1 548 63.546 0.0054967 -3.53925 63.546000 Cu 0.385953 0.353128 0.5 593 63.546 0.00474861 -3.53904 63.546000 Cu 0.421149 0.337255 1.50099e-19 595 63.546 0.00211773 -3.53932 63.546000 Cu 0.487518 0.338677 1 596 63.546 0.00024496 -3.53938 63.546000 Cu 0.456448 0.32131 0.5 597 63.546 0.000631018 -3.53939 63.546000 Cu 0.452224 0.354696 0.5 598 63.546 0.000865056 -3.53917 63.546000 Cu 0.522876 0.322711 0.5 602 63.546 0.000460755 -3.53954 63.546000 Cu 0.518672 0.355953 0.5 651 63.546 0.000366093 -3.53936 63.546000 Cu 0.55404 0.340027 1.14856e-16 653 63.546 0.000985676 -3.5396 63.546000 Cu 0.589434 0.324272 0.5 655 63.546 0.00175173 -3.53973 63.546000 Cu 0.585266 0.357314 0.5 656 63.546 0.00211889 -3.53947 63.546000 Cu 0.620668 0.341691 1 654 63.546 0.00385391 -3.53948 63.546000 Cu 0.656047 0.3263 0.5 660 63.546 0.00518824 -3.53934 63.546000 Cu 0.651992 0.359185 0.5 713 63.546 0.00910333 -3.53865 63.546000 Cu 0.687328 0.344077 0 715 63.546 0.00779107 -3.5384 63.546000 Cu 0.722545 0.329166 0.5 717 63.546 0.00234531 -3.53839 63.546000 Cu 0.753744 0.347469 9.5133e-17 716 63.546 0.00126439 -3.53778 63.546000 Cu 0.78882 0.332513 0.5 722 63.546 0.00256112 -3.53864 63.546000 Cu 0.819851 0.350749 0 769 63.546 0.00619602 -3.53854 63.546000 Cu 0.885953 0.353128 1.22661e-16 770 63.546 0.00474861 -3.53904 63.546000 Cu 0.854948 0.335313 0.5 771 63.546 0.0054967 -3.53925 63.546000 Cu 0.921149 0.337255 0.5 776 63.546 0.00211773 -3.53932 63.546000 Cu 0.956448 0.32131 3.00199e-20 774 63.546 0.000631018 -3.53939 63.546000 Cu 0.952224 0.354696 0 815 63.546 0.000865056 -3.53917 63.546000 Cu 0.987518 0.338677 0.5 817 63.546 0.00024496 -3.53938 63.546000 Cu 0.0144265 0.389174 0 849 63.546 0.000543229 -3.53888 63.546000 Cu 0.0810994 0.3903 1 850 63.546 0.00239225 -3.53889 63.546000 Cu 0.0498592 0.373148 0.5 851 63.546 0.00111683 -3.53925 63.546000 Cu 0.116576 0.374605 0.5 856 63.546 0.00517288 -3.53888 63.546000 Cu 0.147943 0.391936 1.09152e-16 878 63.546 0.0152572 -3.53754 63.546000 Cu 0.214781 0.395017 1 879 63.546 0.021768 -3.53327 63.546000 Cu 0.183377 0.376901 0.5 880 63.546 0.0169387 -3.53693 63.546000 Cu 0.218641 0.362161 1 882 63.546 0.00642372 -3.53697 63.546000 Cu 0.249885 0.380708 0.5 885 63.546 0.00434413 -3.53575 63.546000 Cu 0.315818 0.384342 0.5 454 63.546 0.0113927 -3.53688 63.546000 Cu 0.284836 0.365891 0 883 63.546 0.00492908 -3.53745 63.546000 Cu 0.280929 0.399437 2.43161e-17 900 63.546 0.0129209 -3.53469 63.546000 Cu 0.350827 0.368863 1.22571e-16 591 63.546 0.00871306 -3.53832 63.546000 Cu 0.381755 0.386756 0.5 594 63.546 0.00788092 -3.53797 63.546000 Cu 0.416952 0.370744 1 592 63.546 0.00305975 -3.53877 63.546000 Cu 0.447957 0.388141 0.5 647 63.546 0.0013634 -3.53857 63.546000 Cu 0.483312 0.372004 0 649 63.546 0.000459591 -3.53903 63.546000 Cu 0.549859 0.373148 2.50966e-17 650 63.546 0.00111683 -3.53925 63.546000 Cu 0.514427 0.389174 0.5 652 63.546 0.000543229 -3.53888 63.546000 Cu 0.581099 0.3903 0.5 709 63.546 0.00239225 -3.53889 63.546000 Cu 0.616576 0.374605 3.00199e-20 711 63.546 0.00517288 -3.53888 63.546000 Cu 0.647943 0.391936 0.5 714 63.546 0.0152572 -3.53754 63.546000 Cu 0.683377 0.376901 5.2895e-17 712 63.546 0.0169387 -3.53693 63.546000 Cu 0.718641 0.362161 0.5 718 63.546 0.00642372 -3.53697 63.546000 Cu 0.714781 0.395017 0.5 763 63.546 0.021768 -3.53327 63.546000 Cu 0.749885 0.380708 2.29652e-17 765 63.546 0.00434413 -3.53575 63.546000 Cu 0.815818 0.384342 3.52433e-17 766 63.546 0.0113927 -3.53688 63.546000 Cu 0.784836 0.365891 0.5 767 63.546 0.00492908 -3.53745 63.546000 Cu 0.780929 0.399437 0.5 768 63.546 0.0129209 -3.53469 63.546000 Cu 0.850827 0.368863 0.5 772 63.546 0.00871306 -3.53832 63.546000 Cu 0.881755 0.386756 0 811 63.546 0.00788092 -3.53797 63.546000 Cu 0.916952 0.370744 0.5 813 63.546 0.00305975 -3.53877 63.546000 Cu 0.947957 0.388141 5.98296e-17 812 63.546 0.0013634 -3.53857 63.546000 Cu 0.983312 0.372004 0.5 818 63.546 0.000459591 -3.53903 63.546000 Cu 0.0455882 0.406235 0.5 852 63.546 0.00118095 -3.53859 63.546000 Cu 0.0767879 0.423212 4.84521e-17 874 63.546 0.00258586 -3.5379 63.546000 Cu 0.0100763 0.422384 0 846 63.546 0.000712017 -3.53813 63.546000 Cu 0.0412084 0.439301 0.5 872 63.546 0.00145378 -3.53776 63.546000 Cu 0.143814 0.424529 0 875 63.546 0.0217898 -3.53524 63.546000 Cu 0.112416 0.407392 0.5 876 63.546 0.00708062 -3.53786 63.546000 Cu 0.179428 0.409499 0.5 881 63.546 0.0419639 -3.53389 63.546000 Cu 0.211 0.427569 1 896 63.546 0.0965983 -3.52151 63.546000 Cu 0.246141 0.414025 0.5 898 63.546 0.0175487 -3.53006 63.546000 Cu 0.31175 0.418212 0.5 450 63.546 0.0257368 -3.53321 63.546000 Cu 0.276973 0.433275 0 897 63.546 0.0413173 -3.52789 63.546000 Cu 0.34667 0.402626 1 590 63.546 0.0157211 -3.53638 63.546000 Cu 0.342339 0.436677 4.2328e-17 641 63.546 0.0312679 -3.53158 63.546000 Cu 0.408247 0.43807 1 642 63.546 0.00564952 -3.53629 63.546000 Cu 0.377462 0.420563 0.5 643 63.546 0.0124268 -3.53595 63.546000 Cu 0.412673 0.404353 0 645 63.546 0.00448641 -3.53774 63.546000 Cu 0.47901 0.405351 1 646 63.546 0.0007287 -3.53839 63.546000 Cu 0.44361 0.42165 0.5 648 63.546 0.00172342 -3.5376 63.546000 Cu 0.474611 0.438714 0 703 63.546 0.000927942 -3.53764 63.546000 Cu 0.510076 0.422384 0.5 705 63.546 0.000712017 -3.53813 63.546000 Cu 0.545588 0.406235 1 707 63.546 0.00118095 -3.53859 63.546000 Cu 0.576788 0.423212 0.5 710 63.546 0.00258586 -3.5379 63.546000 Cu 0.541208 0.439301 1 704 63.546 0.00145378 -3.53776 63.546000 Cu 0.612416 0.407392 1 708 63.546 0.00708062 -3.53786 63.546000 Cu 0.643814 0.424529 0.5 759 63.546 0.0217898 -3.53524 63.546000 Cu 0.679428 0.409499 1.22721e-16 761 63.546 0.0419639 -3.53389 63.546000 Cu 0.746141 0.414025 0 762 63.546 0.0175487 -3.53006 63.546000 Cu 0.711 0.427569 0.5 764 63.546 0.0965983 -3.52151 63.546000 Cu 0.776973 0.433275 0.5 805 63.546 0.0413173 -3.52789 63.546000 Cu 0.81175 0.418212 6.00397e-20 807 63.546 0.0257368 -3.53321 63.546000 Cu 0.84667 0.402626 0.5 809 63.546 0.0157211 -3.53638 63.546000 Cu 0.842339 0.436677 0.5 810 63.546 0.0312679 -3.53158 63.546000 Cu 0.877462 0.420563 3.00199e-20 808 63.546 0.0124268 -3.53595 63.546000 Cu 0.912673 0.404353 0.5 814 63.546 0.00448641 -3.53774 63.546000 Cu 0.908247 0.43807 0.5 843 63.546 0.00564952 -3.53629 63.546000 Cu 0.94361 0.42165 0 845 63.546 0.00172342 -3.5376 63.546000 Cu 0.97901 0.405351 0.5 847 63.546 0.0007287 -3.53839 63.546000 Cu 0.974611 0.438714 0.5 848 63.546 0.000927942 -3.53764 63.546000 Cu 0.0724136 0.456088 1 871 63.546 0.00418129 -3.53721 63.546000 Cu 0.0371844 0.472388 0.5 873 63.546 0.00865862 -3.53818 63.546000 Cu 0.00576718 0.455622 0 870 63.546 0.00243575 -3.53781 63.546000 Cu 0.10809 0.440089 0.5 877 63.546 0.00798342 -3.53625 63.546000 Cu 0.103815 0.47274 0.5 891 63.546 0.0145035 -3.53561 63.546000 Cu 0.139392 0.456874 6.00397e-20 892 63.546 0.030555 -3.53241 63.546000 Cu 0.175377 0.441829 0.5 894 63.546 0.105744 -3.52734 63.546000 Cu 0.17077 0.473744 0.5 895 63.546 0.258655 -3.5142 63.546000 Cu 0.207056 0.45956 0 893 63.546 0.413661 -3.48572 63.546000 Cu 0.242536 0.447567 0.5 899 63.546 0.081721 -3.51461 63.546000 Cu 0.307504 0.452527 0.5 33 63.546 0.0747611 -3.51936 63.546000 Cu 0.272759 0.467659 1 135 63.546 0.273074 -3.48069 63.546000 Cu 0.337372 0.471295 0 640 63.546 0.0996203 -3.52425 63.546000 Cu 0.37291 0.454603 0.5 644 63.546 0.0216373 -3.5328 63.546000 Cu 0.403913 0.471807 0 699 63.546 0.0091848 -3.53614 63.546000 Cu 0.47056 0.472104 0 700 63.546 0.0085816 -3.53802 63.546000 Cu 0.439236 0.455193 0.5 701 63.546 0.00246168 -3.53701 63.546000 Cu 0.505767 0.455622 0.5 706 63.546 0.00243575 -3.53781 63.546000 Cu 0.537184 0.472388 3.00199e-20 753 63.546 0.00865862 -3.53818 63.546000 Cu 0.572414 0.456088 0.5 755 63.546 0.00418129 -3.53721 63.546000 Cu 0.603815 0.47274 0 754 63.546 0.0145035 -3.53561 63.546000 Cu 0.60809 0.440089 9.00596e-20 757 63.546 0.00798342 -3.53625 63.546000 Cu 0.639392 0.456874 0.5 760 63.546 0.030555 -3.53241 63.546000 Cu 0.675377 0.441829 0 758 63.546 0.105744 -3.52734 63.546000 Cu 0.67077 0.473744 1 799 63.546 0.258655 -3.5142 63.546000 Cu 0.707056 0.45956 0.5 801 63.546 0.413661 -3.48572 63.546000 Cu 0.742536 0.447567 0 803 63.546 0.081721 -3.51461 63.546000 Cu 0.807504 0.452527 0 804 63.546 0.0747611 -3.51936 63.546000 Cu 0.772759 0.467659 0.5 806 63.546 0.273074 -3.48069 63.546000 Cu 0.837372 0.471295 0.5 839 63.546 0.0996203 -3.52425 63.546000 Cu 0.87291 0.454603 6.00397e-20 841 63.546 0.0216373 -3.5328 63.546000 Cu 0.903913 0.471807 0.5 844 63.546 0.0091848 -3.53614 63.546000 Cu 0.939236 0.455193 1.58805e-17 842 63.546 0.00246168 -3.53701 63.546000 Cu 0.97056 0.472104 0.5 869 63.546 0.0085816 -3.53802 63.546000 Cu 0.0353172 0.505548 0.5 60 63.546 0.02999 -3.53938 63.546000 Cu 0.0690007 0.489065 0 889 63.546 0.0254647 -3.53835 63.546000 Cu 0.00246871 0.488875 1.12274e-17 868 63.546 0.022826 -3.53909 63.546000 Cu 0.10174 0.505581 0.5 59 63.546 0.0353981 -3.53634 63.546000 Cu 0.135152 0.489233 0 890 63.546 0.0602075 -3.532 63.546000 Cu 0.167 0.505567 0.5 32 63.546 3.74742 -3.44605 63.546000 Cu 0.238557 0.481029 0.5 136 63.546 5.44099 -3.36015 63.546000 Cu 0.201295 0.490497 1 411 63.546 5.53957 -3.37661 63.546000 Cu 0.301653 0.488232 0.5 13 63.546 0.539559 -3.48772 63.546000 Cu 0.263456 0.505491 1.47097e-17 410 63.546 5.15962 -3.37332 63.546000 Cu 0.333636 0.50549 1.22661e-16 697 63.546 0.16193 -3.52088 63.546000 Cu 0.401502 0.505463 1 14 63.546 0.0550801 -3.53609 63.546000 Cu 0.368742 0.488583 0.5 698 63.546 0.0356552 -3.53369 63.546000 Cu 0.468636 0.505481 1 3 63.546 0.0326495 -3.53902 63.546000 Cu 0.43575 0.488721 0.5 702 63.546 0.0239901 -3.53803 63.546000 Cu 0.502469 0.488875 0.5 752 63.546 0.022826 -3.53909 63.546000 Cu 0.535317 0.505548 1 4 63.546 0.02999 -3.53938 63.546000 Cu 0.569001 0.489065 0.5 756 63.546 0.0254647 -3.53835 63.546000 Cu 0.60174 0.505581 1.22511e-16 1 63.546 0.0353981 -3.53634 63.546000 Cu 0.635152 0.489233 0.5 798 63.546 0.0602075 -3.532 63.546000 Cu 0.667 0.505567 1.22661e-16 184 63.546 3.74742 -3.44605 63.546000 Cu 0.738557 0.481029 3.00199e-20 800 63.546 5.44099 -3.36015 63.546000 Cu 0.701295 0.490497 0.5 802 63.546 5.53957 -3.37661 63.546000 Cu 0.763456 0.505491 0.5 836 63.546 5.15962 -3.37332 63.546000 Cu 0.801653 0.488232 0 837 63.546 0.539559 -3.48772 63.546000 Cu 0.833636 0.50549 0.5 840 63.546 0.16193 -3.52088 63.546000 Cu 0.901502 0.505463 0.5 94 63.546 0.0550801 -3.53609 63.546000 Cu 0.868742 0.488583 1 838 63.546 0.0356552 -3.53369 63.546000 Cu 0.968636 0.505481 0.5 93 63.546 0.0326495 -3.53902 63.546000 Cu 0.93575 0.488721 0 867 63.546 0.0239901 -3.53803 63.546000 Cu 0.0691178 0.522094 0 58 63.546 0.0274426 -3.538 63.546000 Cu 0.00262568 0.522157 3.22413e-17 95 63.546 0.0223284 -3.53866 63.546000 Cu 0.00620816 0.555437 1.55743e-16 96 63.546 0.0026808 -3.53699 63.546000 Cu 0.037482 0.538714 0.5 97 63.546 0.00884922 -3.53749 63.546000 Cu 0.0728941 0.555076 1 99 63.546 0.00491993 -3.53656 63.546000 Cu 0.135297 0.521941 1 61 63.546 0.0635914 -3.53166 63.546000 Cu 0.139837 0.554251 2.10139e-19 62 63.546 0.0302488 -3.53236 63.546000 Cu 0.1041 0.538456 0.5 64 63.546 0.017691 -3.53517 63.546000 Cu 0.201426 0.520573 0 31 63.546 5.54182 -3.37694 63.546000 Cu 0.171052 0.537367 0.5 63 63.546 0.261413 -3.51406 63.546000 Cu 0.207462 0.5515 0 65 63.546 0.419082 -3.4861 63.546000 Cu 0.23876 0.529955 0.5 36 63.546 5.45082 -3.36035 63.546000 Cu 0.273014 0.543317 3.07403e-17 34 63.546 0.273231 -3.4814 63.546000 Cu 0.301813 0.522742 0.5 35 63.546 0.536282 -3.48755 63.546000 Cu 0.307945 0.55842 0.5 40 63.546 0.07546 -3.51983 63.546000 Cu 0.368874 0.522347 0.5 17 63.546 0.0361805 -3.53352 63.546000 Cu 0.337622 0.53966 9.00596e-20 37 63.546 0.0990805 -3.52438 63.546000 Cu 0.373337 0.55633 0.5 39 63.546 0.0221455 -3.53233 63.546000 Cu 0.404197 0.53911 9.03898e-17 15 63.546 0.00968697 -3.53564 63.546000 Cu 0.435877 0.522206 0.5 16 63.546 0.0247231 -3.53763 63.546000 Cu 0.470839 0.538883 1.42444e-16 18 63.546 0.00895572 -3.53732 63.546000 Cu 0.439657 0.555762 0.5 21 63.546 0.00305136 -3.53627 63.546000 Cu 0.569118 0.522094 0.5 6 63.546 0.0274426 -3.538 63.546000 Cu 0.537482 0.538714 1.70693e-16 5 63.546 0.00884922 -3.53749 63.546000 Cu 0.502626 0.522157 0.5 7 63.546 0.0223284 -3.53866 63.546000 Cu 0.506208 0.555437 0.5 20 63.546 0.0026808 -3.53699 63.546000 Cu 0.572894 0.555076 0.5 11 63.546 0.00491993 -3.53656 63.546000 Cu 0.635297 0.521941 0.5 2 63.546 0.0635914 -3.53166 63.546000 Cu 0.6041 0.538456 0 8 63.546 0.017691 -3.53517 63.546000 Cu 0.639837 0.554251 0.5 10 63.546 0.0302488 -3.53236 63.546000 Cu 0.701426 0.520573 0.5 186 63.546 5.54182 -3.37694 63.546000 Cu 0.671052 0.537367 6.00397e-20 185 63.546 0.261413 -3.51406 63.546000 Cu 0.707462 0.5515 0.5 190 63.546 0.419082 -3.4861 63.546000 Cu 0.73876 0.529955 1 187 63.546 5.45082 -3.36035 63.546000 Cu 0.801813 0.522742 1 134 63.546 0.536282 -3.48755 63.546000 Cu 0.773014 0.543317 0.5 189 63.546 0.273231 -3.4814 63.546000 Cu 0.807945 0.55842 9.00596e-20 191 63.546 0.07546 -3.51983 63.546000 Cu 0.868874 0.522347 7.26481e-17 137 63.546 0.0361805 -3.53352 63.546000 Cu 0.873337 0.55633 0 138 63.546 0.0221455 -3.53233 63.546000 Cu 0.837622 0.53966 0.5 140 63.546 0.0990805 -3.52438 63.546000 Cu 0.904197 0.53911 0.5 139 63.546 0.00968697 -3.53564 63.546000 Cu 0.935877 0.522206 5.90491e-17 92 63.546 0.0247231 -3.53763 63.546000 Cu 0.970839 0.538883 0.5 98 63.546 0.00895572 -3.53732 63.546000 Cu 0.939657 0.555762 3.00199e-20 141 63.546 0.00305136 -3.53627 63.546000 Cu 0.0418128 0.571818 0.5 102 63.546 0.00186435 -3.53696 63.546000 Cu 0.0108694 0.588669 1 145 63.546 0.000803125 -3.53725 63.546000 Cu 0.0776023 0.587958 1.41454e-16 100 63.546 0.0037016 -3.53733 63.546000 Cu 0.10872 0.571083 0.5 101 63.546 0.00949432 -3.53583 63.546000 Cu 0.144641 0.586627 1 103 63.546 0.0242485 -3.53545 63.546000 Cu 0.211722 0.58349 0 66 63.546 0.0992664 -3.52196 63.546000 Cu 0.176033 0.569286 0.5 68 63.546 0.110955 -3.52735 63.546000 Cu 0.243044 0.56341 0.5 67 63.546 0.0856083 -3.51504 63.546000 Cu 0.247044 0.596966 0.5 72 63.546 0.0180146 -3.53064 63.546000 Cu 0.277607 0.577681 3.00199e-20 69 63.546 0.0431881 -3.52848 63.546000 Cu 0.31259 0.592702 0.5 71 63.546 0.0285127 -3.53361 63.546000 Cu 0.342929 0.574259 6.00397e-20 38 63.546 0.0315544 -3.5317 63.546000 Cu 0.378279 0.590366 0.5 44 63.546 0.0125261 -3.53567 63.546000 Cu 0.40885 0.572867 8.33952e-17 41 63.546 0.00633028 -3.53568 63.546000 Cu 0.475209 0.572284 1.79789e-16 19 63.546 0.00119419 -3.53677 63.546000 Cu 0.444406 0.589309 0.5 43 63.546 0.00205342 -3.53686 63.546000 Cu 0.541813 0.571818 4.46395e-17 22 63.546 0.00186435 -3.53696 63.546000 Cu 0.510869 0.588669 0.5 25 63.546 0.000803125 -3.53725 63.546000 Cu 0.577602 0.587958 0.5 24 63.546 0.0037016 -3.53733 63.546000 Cu 0.60872 0.571083 1 9 63.546 0.00949432 -3.53583 63.546000 Cu 0.644641 0.586627 0.5 12 63.546 0.0242485 -3.53545 63.546000 Cu 0.676033 0.569286 1 242 63.546 0.110955 -3.52735 63.546000 Cu 0.711722 0.58349 0.5 244 63.546 0.0992664 -3.52196 63.546000 Cu 0.743044 0.56341 0 188 63.546 0.0856083 -3.51504 63.546000 Cu 0.747044 0.596966 8.11137e-17 245 63.546 0.0180146 -3.53064 63.546000 Cu 0.81259 0.592702 9.72644e-18 192 63.546 0.0285127 -3.53361 63.546000 Cu 0.777607 0.577681 0.5 194 63.546 0.0431881 -3.52848 63.546000 Cu 0.842929 0.574259 0.5 193 63.546 0.0315544 -3.5317 63.546000 Cu 0.878279 0.590366 4.61105e-17 195 63.546 0.0125261 -3.53567 63.546000 Cu 0.90885 0.572867 0.5 144 63.546 0.00633028 -3.53568 63.546000 Cu 0.944406 0.589309 6.00397e-20 142 63.546 0.00205342 -3.53686 63.546000 Cu 0.975209 0.572284 0.5 143 63.546 0.00119419 -3.53677 63.546000 Cu 0.015689 0.621885 5.8989e-17 146 63.546 0.000551543 -3.53803 63.546000 Cu 0.0465947 0.604878 0.5 147 63.546 0.00142094 -3.5378 63.546000 Cu 0.0514043 0.637962 0.5 152 63.546 0.00122539 -3.53857 63.546000 Cu 0.0823652 0.620865 6.78449e-18 149 63.546 0.00345545 -3.53837 63.546000 Cu 0.149188 0.6192 6.00397e-20 104 63.546 0.0162409 -3.53757 63.546000 Cu 0.113432 0.603775 0.5 106 63.546 0.00900514 -3.53769 63.546000 Cu 0.118097 0.63658 0.5 151 63.546 0.00758834 -3.53876 63.546000 Cu 0.180416 0.601586 0.5 105 63.546 0.0415272 -3.53418 63.546000 Cu 0.215978 0.616038 1.20079e-19 107 63.546 0.0228598 -3.53384 63.546000 Cu 0.184852 0.634199 0.5 110 63.546 0.0177265 -3.53727 63.546000 Cu 0.282027 0.61151 1 70 63.546 0.0138303 -3.53525 63.546000 Cu 0.317189 0.626555 0.5 76 63.546 0.0130537 -3.53716 63.546000 Cu 0.251322 0.630274 0.5 109 63.546 0.00460369 -3.53632 63.546000 Cu 0.347735 0.608278 1 73 63.546 0.0170313 -3.53652 63.546000 Cu 0.383083 0.624141 0.5 75 63.546 0.00861729 -3.53776 63.546000 Cu 0.413706 0.606577 3.00199e-20 42 63.546 0.00497825 -3.53722 63.546000 Cu 0.480014 0.605658 0 45 63.546 0.000739545 -3.53751 63.546000 Cu 0.484852 0.638997 1.50099e-19 46 63.546 0.000503918 -3.53826 63.546000 Cu 0.449245 0.622805 0.5 48 63.546 0.00172672 -3.53783 63.546000 Cu 0.546595 0.604878 0 23 63.546 0.00142094 -3.5378 63.546000 Cu 0.515689 0.621885 0.5 47 63.546 0.000551543 -3.53803 63.546000 Cu 0.551404 0.637962 6.98863e-17 49 63.546 0.00122539 -3.53857 63.546000 Cu 0.582365 0.620865 0.5 29 63.546 0.00345545 -3.53837 63.546000 Cu 0.613432 0.603775 3.00199e-20 26 63.546 0.00900514 -3.53769 63.546000 Cu 0.618097 0.63658 4.67409e-17 27 63.546 0.00758834 -3.53876 63.546000 Cu 0.649188 0.6192 0.5 28 63.546 0.0162409 -3.53757 63.546000 Cu 0.680416 0.601586 5.68276e-17 243 63.546 0.0415272 -3.53418 63.546000 Cu 0.715978 0.616038 0.5 248 63.546 0.0228598 -3.53384 63.546000 Cu 0.684852 0.634199 1.22601e-16 296 63.546 0.0177265 -3.53727 63.546000 Cu 0.751322 0.630274 0 246 63.546 0.00460369 -3.53632 63.546000 Cu 0.782027 0.61151 0.5 247 63.546 0.0138303 -3.53525 63.546000 Cu 0.817189 0.626555 3.00199e-20 249 63.546 0.0130537 -3.53716 63.546000 Cu 0.883083 0.624141 0 196 63.546 0.00861729 -3.53776 63.546000 Cu 0.847735 0.608278 0.5 198 63.546 0.0170313 -3.53652 63.546000 Cu 0.913706 0.606577 0.5 197 63.546 0.00497825 -3.53722 63.546000 Cu 0.980014 0.605658 0.5 148 63.546 0.000739545 -3.53751 63.546000 Cu 0.949245 0.622805 4.59004e-17 199 63.546 0.00172672 -3.53783 63.546000 Cu 0.984852 0.638997 0.5 201 63.546 0.000503918 -3.53826 63.546000 Cu 0.0204784 0.655098 1.55053e-16 203 63.546 0.000370744 -3.5387 63.546000 Cu 0.0560667 0.671077 0.5 205 63.546 0.00114884 -3.53914 63.546000 Cu 0.0870564 0.653853 9.00596e-20 150 63.546 0.00351845 -3.53911 63.546000 Cu 0.122633 0.66948 0.5 156 63.546 0.00586032 -3.53941 63.546000 Cu 0.153728 0.651947 1 153 63.546 0.010049 -3.53875 63.546000 Cu 0.220354 0.648868 1 108 63.546 0.00663292 -3.53727 63.546000 Cu 0.18925 0.66699 0.5 155 63.546 0.00761467 -3.53848 63.546000 Cu 0.286528 0.645027 0 111 63.546 0.00606962 -3.53785 63.546000 Cu 0.290933 0.678415 0 112 63.546 0.00284843 -3.5388 63.546000 Cu 0.255686 0.663492 0.5 114 63.546 0.00170575 -3.53809 63.546000 Cu 0.321765 0.660155 0.5 113 63.546 0.00676372 -3.53868 63.546000 Cu 0.35245 0.642021 3.00199e-20 74 63.546 0.00972532 -3.53831 63.546000 Cu 0.387805 0.657761 0.5 80 63.546 0.00561838 -3.53884 63.546000 Cu 0.357017 0.67558 2.45322e-16 115 63.546 0.00602263 -3.53924 63.546000 Cu 0.41852 0.640164 0 77 63.546 0.00371207 -3.53832 63.546000 Cu 0.423234 0.673648 0 78 63.546 0.00261723 -3.53908 63.546000 Cu 0.454044 0.656241 0.5 79 63.546 0.00127304 -3.53861 63.546000 Cu 0.489585 0.672308 1 81 63.546 0.000239708 -3.53883 63.546000 Cu 0.556067 0.671077 7.22278e-17 50 63.546 0.00114884 -3.53914 63.546000 Cu 0.520478 0.655098 0.5 52 63.546 0.000370744 -3.5387 63.546000 Cu 0.587056 0.653853 0.5 51 63.546 0.00351845 -3.53911 63.546000 Cu 0.622633 0.66948 1.14376e-17 53 63.546 0.00586032 -3.53941 63.546000 Cu 0.653728 0.651947 0.5 30 63.546 0.010049 -3.53875 63.546000 Cu 0.68925 0.66699 0 297 63.546 0.00761467 -3.53848 63.546000 Cu 0.720354 0.648868 0.5 298 63.546 0.00663292 -3.53727 63.546000 Cu 0.786528 0.645027 0.5 252 63.546 0.00606962 -3.53785 63.546000 Cu 0.755686 0.663492 1.22751e-16 299 63.546 0.00170575 -3.53809 63.546000 Cu 0.790933 0.678415 0.5 301 63.546 0.00284843 -3.5388 63.546000 Cu 0.821765 0.660155 1 250 63.546 0.00676372 -3.53868 63.546000 Cu 0.85245 0.642021 0.5 251 63.546 0.00972532 -3.53831 63.546000 Cu 0.887805 0.657761 2.45382e-16 253 63.546 0.00561838 -3.53884 63.546000 Cu 0.857017 0.67558 0.5 256 63.546 0.00602263 -3.53924 63.546000 Cu 0.989585 0.672308 0.5 206 63.546 0.000239708 -3.53883 63.546000 Cu 0.954044 0.656241 0 200 63.546 0.00127304 -3.53861 63.546000 Cu 0.91852 0.640164 0.5 202 63.546 0.00371207 -3.53832 63.546000 Cu 0.923234 0.673648 0.5 255 63.546 0.00261723 -3.53908 63.546000 Cu 0.0251346 0.688325 9.00596e-20 204 63.546 0.000297027 -3.5391 63.546000 Cu 0.0606413 0.704249 0.5 210 63.546 0.0013765 -3.53948 63.546000 Cu 0.0916215 0.686897 0 207 63.546 0.00307362 -3.53954 63.546000 Cu 0.12714 0.702495 0.5 209 63.546 0.00492127 -3.53976 63.546000 Cu 0.158163 0.684833 0 154 63.546 0.00654306 -3.53937 63.546000 Cu 0.162566 0.717847 1.22601e-16 211 63.546 0.00463412 -3.53961 63.546000 Cu 0.224676 0.681827 3.08004e-17 157 63.546 0.00181411 -3.53849 63.546000 Cu 0.228989 0.714889 1 158 63.546 0.000557541 -3.53898 63.546000 Cu 0.193625 0.69993 0.5 160 63.546 0.00352279 -3.53912 63.546000 Cu 0.259992 0.696682 0.5 159 63.546 0.000603199 -3.53885 63.546000 Cu 0.295265 0.711709 1.22841e-16 161 63.546 0.00162439 -3.53929 63.546000 Cu 0.326166 0.693587 0.5 118 63.546 0.00403259 -3.53935 63.546000 Cu 0.361496 0.708982 6.00397e-20 116 63.546 0.00432139 -3.5397 63.546000 Cu 0.392375 0.691225 0.5 117 63.546 0.00399055 -3.5395 63.546000 Cu 0.458706 0.689603 0.5 84 63.546 0.00096032 -3.53912 63.546000 Cu 0.427779 0.707019 5.88089e-17 119 63.546 0.0021401 -3.53947 63.546000 Cu 0.494191 0.705594 1.36891e-17 82 63.546 0.000181604 -3.5392 63.546000 Cu 0.525135 0.688325 0.5 83 63.546 0.000297027 -3.5391 63.546000 Cu 0.560641 0.704249 0 85 63.546 0.0013765 -3.53948 63.546000 Cu 0.62714 0.702495 6.00397e-20 54 63.546 0.00492127 -3.53976 63.546000 Cu 0.591622 0.686897 0.5 56 63.546 0.00307362 -3.53954 63.546000 Cu 0.658163 0.684833 0.5 55 63.546 0.00654306 -3.53937 63.546000 Cu 0.662566 0.717847 0.5 57 63.546 0.00463412 -3.53961 63.546000 Cu 0.724676 0.681827 0.5 302 63.546 0.00181411 -3.53849 63.546000 Cu 0.693625 0.69993 3.00199e-20 342 63.546 0.00352279 -3.53912 63.546000 Cu 0.728989 0.714889 0.5 344 63.546 0.000557541 -3.53898 63.546000 Cu 0.759992 0.696682 3.39525e-17 300 63.546 0.000603199 -3.53885 63.546000 Cu 0.795265 0.711709 0.5 306 63.546 0.00162439 -3.53929 63.546000 Cu 0.826166 0.693587 1 303 63.546 0.00403259 -3.53935 63.546000 Cu 0.892375 0.691225 1 254 63.546 0.00399055 -3.5395 63.546000 Cu 0.861496 0.708982 0.5 305 63.546 0.00432139 -3.5397 63.546000 Cu 0.994191 0.705594 0.5 259 63.546 0.000181604 -3.5392 63.546000 Cu 0.958706 0.689603 0 257 63.546 0.00096032 -3.53912 63.546000 Cu 0.927779 0.707019 0.5 260 63.546 0.0021401 -3.53947 63.546000 Cu 0.0296179 0.72157 3.00199e-20 261 63.546 0.000335589 -3.53941 63.546000 Cu 0.0339623 0.754856 1 262 63.546 0.000489878 -3.53945 63.546000 Cu 0.0649888 0.737464 0.5 263 63.546 0.0014561 -3.53967 63.546000 Cu 0.0960843 0.720025 0 208 63.546 0.00304494 -3.53981 63.546000 Cu 0.131455 0.735596 0.5 214 63.546 0.00413019 -3.53988 63.546000 Cu 0.100356 0.753217 1.69312e-17 265 63.546 0.00296745 -3.53987 63.546000 Cu 0.166771 0.750946 0 212 63.546 0.00339333 -3.53963 63.546000 Cu 0.197902 0.73298 0.5 213 63.546 0.00196948 -3.53924 63.546000 Cu 0.233158 0.748001 3.4703e-17 215 63.546 0.000195907 -3.53898 63.546000 Cu 0.299514 0.74492 6.00397e-20 162 63.546 0.0016117 -3.53928 63.546000 Cu 0.264286 0.729855 0.5 164 63.546 0.000470613 -3.53907 63.546000 Cu 0.33058 0.726903 0.5 163 63.546 0.00309186 -3.53963 63.546000 Cu 0.39686 0.724577 0.5 122 63.546 0.00345642 -3.53975 63.546000 Cu 0.365872 0.742285 1.48298e-17 165 63.546 0.00373351 -3.53985 63.546000 Cu 0.401145 0.757856 0.5 167 63.546 0.0030803 -3.53989 63.546000 Cu 0.432238 0.740349 4.41292e-18 120 63.546 0.00177199 -3.53963 63.546000 Cu 0.463197 0.72293 0.5 121 63.546 0.000638114 -3.53937 63.546000 Cu 0.467581 0.756237 0.5 126 63.546 0.000483961 -3.5395 63.546000 Cu 0.498585 0.738891 1 123 63.546 2.35866e-05 -3.53935 63.546000 Cu 0.564989 0.737464 8.23445e-17 86 63.546 0.0014561 -3.53967 63.546000 Cu 0.529618 0.72157 0.5 88 63.546 0.000335589 -3.53941 63.546000 Cu 0.533962 0.754856 0.5 125 63.546 0.000489878 -3.53945 63.546000 Cu 0.596084 0.720025 0.5 87 63.546 0.00304494 -3.53981 63.546000 Cu 0.631455 0.735596 8.17141e-17 89 63.546 0.00413019 -3.53988 63.546000 Cu 0.600356 0.753217 0.5 91 63.546 0.00296745 -3.53987 63.546000 Cu 0.697902 0.73298 3.00199e-20 343 63.546 0.00196948 -3.53924 63.546000 Cu 0.733158 0.748001 0.5 348 63.546 0.000195907 -3.53898 63.546000 Cu 0.666771 0.750946 0.5 380 63.546 0.00339333 -3.53963 63.546000 Cu 0.764286 0.729855 3.00199e-20 345 63.546 0.000470613 -3.53907 63.546000 Cu 0.799514 0.74492 0.5 347 63.546 0.0016117 -3.53928 63.546000 Cu 0.83058 0.726903 9.00596e-20 304 63.546 0.00309186 -3.53963 63.546000 Cu 0.89686 0.724577 6.00397e-20 307 63.546 0.00345642 -3.53975 63.546000 Cu 0.901145 0.757856 0 308 63.546 0.0030803 -3.53989 63.546000 Cu 0.865872 0.742285 0.5 310 63.546 0.00373351 -3.53985 63.546000 Cu 0.998585 0.738891 0.5 264 63.546 2.35866e-05 -3.53935 63.546000 Cu 0.963197 0.72293 4.00465e-17 258 63.546 0.000638114 -3.53937 63.546000 Cu 0.932238 0.740349 0.5 309 63.546 0.00177199 -3.53963 63.546000 Cu 0.967581 0.756237 0 311 63.546 0.000483961 -3.5395 63.546000 Cu 0.0693318 0.770749 0.5 268 63.546 0.00210357 -3.53966 63.546000 Cu 0.00293301 0.772194 0.5 313 63.546 0.000111312 -3.53943 63.546000 Cu 0.0382547 0.788167 1 315 63.546 0.000849412 -3.53951 63.546000 Cu 0.104614 0.786506 6.68242e-17 266 63.546 0.00348629 -3.53978 63.546000 Cu 0.135678 0.768779 0.5 267 63.546 0.00353665 -3.53984 63.546000 Cu 0.202017 0.766115 0.5 218 63.546 0.00145011 -3.53919 63.546000 Cu 0.1709 0.784157 0 269 63.546 0.00315587 -3.53946 63.546000 Cu 0.206007 0.799348 0.5 271 63.546 0.00177444 -3.5389 63.546000 Cu 0.23716 0.78116 2.02334e-17 216 63.546 0.000156393 -3.53881 63.546000 Cu 0.26833 0.763019 0.5 217 63.546 0.00028297 -3.53896 63.546000 Cu 0.303523 0.778065 1.72314e-17 219 63.546 0.00199047 -3.53918 63.546000 Cu 0.272293 0.796141 0.5 222 63.546 0.000796345 -3.5387 63.546000 Cu 0.369981 0.775482 0 166 63.546 0.00357724 -3.53987 63.546000 Cu 0.334719 0.760117 0.5 168 63.546 0.00301569 -3.53962 63.546000 Cu 0.338786 0.793221 0.5 221 63.546 0.00403046 -3.53952 63.546000 Cu 0.405298 0.791037 0.5 172 63.546 0.00331076 -3.53986 63.546000 Cu 0.436467 0.773606 4.17576e-17 169 63.546 0.0016147 -3.53973 63.546000 Cu 0.471793 0.789505 0.5 171 63.546 0.000300838 -3.53954 63.546000 Cu 0.502933 0.772194 7.21678e-17 124 63.546 0.000111312 -3.53943 63.546000 Cu 0.569332 0.770749 2.10139e-19 127 63.546 0.00210357 -3.53966 63.546000 Cu 0.538255 0.788167 0.5 130 63.546 0.000849412 -3.53951 63.546000 Cu 0.635678 0.768779 5.65875e-17 90 63.546 0.00353665 -3.53984 63.546000 Cu 0.604614 0.786506 0.5 129 63.546 0.00348629 -3.53978 63.546000 Cu 0.702017 0.766115 2.45382e-16 381 63.546 0.00145011 -3.53919 63.546000 Cu 0.706007 0.799348 6.00397e-20 382 63.546 0.00177444 -3.5389 63.546000 Cu 0.6709 0.784157 0.5 384 63.546 0.00315587 -3.53946 63.546000 Cu 0.73716 0.78116 0.5 383 63.546 0.000156393 -3.53881 63.546000 Cu 0.76833 0.763019 1.80119e-19 346 63.546 0.00028297 -3.53896 63.546000 Cu 0.803523 0.778065 0.5 352 63.546 0.00199047 -3.53918 63.546000 Cu 0.772293 0.796141 1 385 63.546 0.000796345 -3.5387 63.546000 Cu 0.834719 0.760117 1 349 63.546 0.00301569 -3.53962 63.546000 Cu 0.838786 0.793221 1 350 63.546 0.00403046 -3.53952 63.546000 Cu 0.869981 0.775482 0.5 351 63.546 0.00357724 -3.53987 63.546000 Cu 0.905298 0.791037 1 353 63.546 0.00331076 -3.53986 63.546000 Cu 0.971793 0.789505 1 312 63.546 0.000300838 -3.53954 63.546000 Cu 0.936467 0.773606 0.5 314 63.546 0.0016147 -3.53973 63.546000 Cu 0.0424079 0.821506 0 316 63.546 0.00113851 -3.53924 63.546000 Cu 0.00710336 0.805485 0.5 318 63.546 9.97245e-05 -3.53939 63.546000 Cu 0.0114022 0.838799 0.5 359 63.546 0.000381112 -3.53897 63.546000 Cu 0.0735008 0.804089 0.5 317 63.546 0.002654 -3.53958 63.546000 Cu 0.0777408 0.8375 0.5 322 63.546 0.00383932 -3.53913 63.546000 Cu 0.139784 0.802099 0.5 272 63.546 0.00427461 -3.53959 63.546000 Cu 0.108695 0.819888 0 319 63.546 0.0046774 -3.53952 63.546000 Cu 0.143924 0.835505 0.5 321 63.546 0.00565738 -3.53924 63.546000 Cu 0.17491 0.81748 1.50099e-19 270 63.546 0.00403195 -3.53919 63.546000 Cu 0.210052 0.832642 0.5 276 63.546 0.00303088 -3.53862 63.546000 Cu 0.241109 0.814341 6.00397e-20 273 63.546 0.00059992 -3.53848 63.546000 Cu 0.307529 0.811108 0 220 63.546 0.00387369 -3.53887 63.546000 Cu 0.276311 0.829196 0.5 275 63.546 0.00250739 -3.53827 63.546000 Cu 0.374097 0.808583 3.11606e-17 223 63.546 0.00419099 -3.53975 63.546000 Cu 0.342853 0.826228 0.5 226 63.546 0.00608578 -3.53926 63.546000 Cu 0.409462 0.824162 0.5 225 63.546 0.00357066 -3.53965 63.546000 Cu 0.440641 0.80682 6.09103e-17 170 63.546 0.00143387 -3.53963 63.546000 Cu 0.475997 0.822764 0.5 176 63.546 0.000357927 -3.53931 63.546000 Cu 0.444903 0.839987 1 227 63.546 0.00159125 -3.53924 63.546000 Cu 0.507103 0.805485 1 173 63.546 9.97245e-05 -3.53939 63.546000 Cu 0.511402 0.838799 1.22781e-16 174 63.546 0.000381112 -3.53897 63.546000 Cu 0.542408 0.821506 0.5 175 63.546 0.00113851 -3.53924 63.546000 Cu 0.573501 0.804089 7.88022e-17 128 63.546 0.002654 -3.53958 63.546000 Cu 0.577741 0.8375 0 177 63.546 0.00383932 -3.53913 63.546000 Cu 0.639784 0.802099 3.21213e-18 131 63.546 0.00427461 -3.53959 63.546000 Cu 0.643924 0.835505 2.74982e-17 132 63.546 0.00565738 -3.53924 63.546000 Cu 0.608695 0.819888 0.5 133 63.546 0.0046774 -3.53952 63.546000 Cu 0.67491 0.81748 0.5 412 63.546 0.00403195 -3.53919 63.546000 Cu 0.710052 0.832642 9.00596e-20 413 63.546 0.00303088 -3.53862 63.546000 Cu 0.741109 0.814341 0.5 388 63.546 0.00059992 -3.53848 63.546000 Cu 0.776311 0.829196 3.00199e-20 386 63.546 0.00250739 -3.53827 63.546000 Cu 0.807529 0.811108 0.5 387 63.546 0.00387369 -3.53887 63.546000 Cu 0.874097 0.808583 0.5 356 63.546 0.00419099 -3.53975 63.546000 Cu 0.842853 0.826228 6.00397e-20 389 63.546 0.00608578 -3.53926 63.546000 Cu 0.909462 0.824162 9.00596e-20 354 63.546 0.00357066 -3.53965 63.546000 Cu 0.940641 0.80682 0.5 355 63.546 0.00143387 -3.53963 63.546000 Cu 0.975997 0.822764 3.00199e-20 357 63.546 0.000357927 -3.53931 63.546000 Cu 0.944903 0.839987 0.5 360 63.546 0.00159125 -3.53924 63.546000 Cu 0.046845 0.854895 0 361 63.546 0.00163912 -3.53867 63.546000 Cu 0.0159691 0.87211 0.5 364 63.546 0.000421168 -3.53831 63.546000 Cu 0.0822836 0.870986 0.5 363 63.546 0.00516224 -3.53844 63.546000 Cu 0.113075 0.85336 3.41326e-17 320 63.546 0.00627429 -3.53895 63.546000 Cu 0.148356 0.86905 0.5 326 63.546 0.00898013 -3.53834 63.546000 Cu 0.179141 0.850902 9.00596e-20 323 63.546 0.00623024 -3.53864 63.546000 Cu 0.2143 0.866007 0.5 325 63.546 0.00589003 -3.53773 63.546000 Cu 0.24525 0.84754 1.20079e-19 274 63.546 0.00146798 -3.53789 63.546000 Cu 0.311678 0.844034 1.22691e-16 277 63.546 0.00868776 -3.53839 63.546000 Cu 0.31602 0.87683 6.31318e-17 278 63.546 0.0182709 -3.537 63.546000 Cu 0.280536 0.862156 0.5 280 63.546 0.00681556 -3.53709 63.546000 Cu 0.378319 0.841589 2.08038e-17 224 63.546 0.00522287 -3.53944 63.546000 Cu 0.347169 0.8591 0.5 279 63.546 0.00999273 -3.53867 63.546000 Cu 0.382786 0.87449 0 281 63.546 0.00678312 -3.53873 63.546000 Cu 0.413854 0.857208 0.5 230 63.546 0.00385015 -3.53915 63.546000 Cu 0.449474 0.873113 1.90686e-16 228 63.546 0.00143724 -3.53858 63.546000 Cu 0.48042 0.855994 0.5 229 63.546 0.000430831 -3.53875 63.546000 Cu 0.546845 0.854895 0.5 180 63.546 0.00163912 -3.53867 63.546000 Cu 0.515969 0.87211 1 231 63.546 0.000421168 -3.53831 63.546000 Cu 0.582284 0.870986 6.00397e-20 178 63.546 0.00516224 -3.53844 63.546000 Cu 0.613075 0.85336 0.5 179 63.546 0.00627429 -3.53895 63.546000 Cu 0.648356 0.86905 3.79451e-17 181 63.546 0.00898013 -3.53834 63.546000 Cu 0.7143 0.866007 2.83688e-17 414 63.546 0.00589003 -3.53773 63.546000 Cu 0.679141 0.850902 0.5 416 63.546 0.00623024 -3.53864 63.546000 Cu 0.74525 0.84754 0.5 415 63.546 0.00146798 -3.53789 63.546000 Cu 0.811678 0.844034 0.5 392 63.546 0.00868776 -3.53839 63.546000 Cu 0.780536 0.862156 2.45412e-16 417 63.546 0.00681556 -3.53709 63.546000 Cu 0.81602 0.87683 0.5 419 63.546 0.0182709 -3.537 63.546000 Cu 0.847169 0.8591 3.38324e-17 390 63.546 0.00999273 -3.53867 63.546000 Cu 0.878319 0.841589 0.5 391 63.546 0.00522287 -3.53944 63.546000 Cu 0.882786 0.87449 0.5 396 63.546 0.00678312 -3.53873 63.546000 Cu 0.913854 0.857208 0 393 63.546 0.00385015 -3.53915 63.546000 Cu 0.98042 0.855994 0 358 63.546 0.000430831 -3.53875 63.546000 Cu 0.949474 0.873113 0.5 395 63.546 0.00143724 -3.53858 63.546000 Cu 0.0515059 0.888323 1 362 63.546 0.00175318 -3.53792 63.546000 Cu 0.0206931 0.905467 0.5 399 63.546 0.0008745 -3.53765 63.546000 Cu 0.117691 0.886975 2.62073e-17 365 63.546 0.00972759 -3.53793 63.546000 Cu 0.0869938 0.904556 0.5 368 63.546 0.00577351 -3.53745 63.546000 Cu 0.152988 0.902797 0.5 367 63.546 0.0170321 -3.53659 63.546000 Cu 0.18356 0.884485 0 324 63.546 0.0121158 -3.53715 63.546000 Cu 0.218689 0.899513 0.5 330 63.546 0.0135555 -3.53504 63.546000 Cu 0.188062 0.918336 1.22631e-16 369 63.546 0.0276263 -3.53355 63.546000 Cu 0.249509 0.88074 9.00596e-20 327 63.546 0.00435593 -3.53611 63.546000 Cu 0.253632 0.914037 1 328 63.546 0.0179475 -3.53018 63.546000 Cu 0.284808 0.894963 0.5 329 63.546 0.0242648 -3.53336 63.546000 Cu 0.320319 0.909396 8.37554e-17 331 63.546 0.0455088 -3.53377 63.546000 Cu 0.387316 0.907273 6.52932e-17 282 63.546 0.00846251 -3.53765 63.546000 Cu 0.351635 0.891836 0.5 284 63.546 0.0159459 -3.53744 63.546000 Cu 0.485113 0.889223 0.5 234 63.546 0.000634901 -3.53809 63.546000 Cu 0.418453 0.890189 0.5 283 63.546 0.00395137 -3.53844 63.546000 Cu 0.45413 0.906197 6.00397e-20 285 63.546 0.00155067 -3.53793 63.546000 Cu 0.520693 0.905467 1 232 63.546 0.0008745 -3.53765 63.546000 Cu 0.551506 0.888323 0.5 233 63.546 0.00175318 -3.53792 63.546000 Cu 0.617691 0.886975 0.5 183 63.546 0.00972759 -3.53793 63.546000 Cu 0.586994 0.904556 1 235 63.546 0.00577351 -3.53745 63.546000 Cu 0.652988 0.902797 6.90457e-17 182 63.546 0.0170321 -3.53659 63.546000 Cu 0.68356 0.884485 0.5 434 63.546 0.0121158 -3.53715 63.546000 Cu 0.718689 0.899513 2.45653e-16 435 63.546 0.0135555 -3.53504 63.546000 Cu 0.688062 0.918336 0.5 438 63.546 0.0276263 -3.53355 63.546000 Cu 0.749509 0.88074 0.5 420 63.546 0.00435593 -3.53611 63.546000 Cu 0.784808 0.894963 1.22691e-16 418 63.546 0.0242648 -3.53336 63.546000 Cu 0.753632 0.914037 0.5 437 63.546 0.0179475 -3.53018 63.546000 Cu 0.820319 0.909396 0.5 424 63.546 0.0455088 -3.53377 63.546000 Cu 0.851635 0.891836 6.00397e-20 421 63.546 0.0159459 -3.53744 63.546000 Cu 0.887316 0.907273 0.5 423 63.546 0.00846251 -3.53765 63.546000 Cu 0.918453 0.890189 1 394 63.546 0.00395137 -3.53844 63.546000 Cu 0.985113 0.889223 0 397 63.546 0.000634901 -3.53809 63.546000 Cu 0.95413 0.906197 0.5 400 63.546 0.00155067 -3.53793 63.546000 Cu 0.0562457 0.921821 3.15209e-18 401 63.546 0.00264537 -3.53708 63.546000 Cu 0.0607893 0.955341 9.00596e-20 402 63.546 0.00348586 -3.53671 63.546000 Cu 0.0253249 0.93882 0.5 404 63.546 0.00124917 -3.53711 63.546000 Cu 0.122363 0.92073 1 366 63.546 0.0127419 -3.53609 63.546000 Cu 0.0917208 0.938259 0.5 403 63.546 0.00786679 -3.53619 63.546000 Cu 0.127102 0.954738 0 405 63.546 0.0225112 -3.53306 63.546000 Cu 0.157603 0.936806 0.5 372 63.546 0.0316758 -3.53196 63.546000 Cu 0.19248 0.952599 1.22661e-16 370 63.546 0.0748483 -3.51986 63.546000 Cu 0.222962 0.933329 0.5 371 63.546 0.0422071 -3.52804 63.546000 Cu 0.288891 0.927499 0.5 334 63.546 0.100554 -3.52112 63.546000 Cu 0.257412 0.94757 0 373 63.546 0.0840464 -3.51402 63.546000 Cu 0.324502 0.941706 6.30417e-18 332 63.546 0.112637 -3.52694 63.546000 Cu 0.292931 0.959482 0.5 375 63.546 0.420449 -3.48446 63.546000 Cu 0.356041 0.924398 0.5 333 63.546 0.0238602 -3.53514 63.546000 Cu 0.391809 0.93996 5.16342e-17 335 63.546 0.00952035 -3.53599 63.546000 Cu 0.360534 0.95674 0.5 338 63.546 0.0330146 -3.53238 63.546000 Cu 0.458676 0.939263 3.29318e-17 286 63.546 0.00162948 -3.5372 63.546000 Cu 0.423022 0.923103 0.5 288 63.546 0.00379834 -3.53753 63.546000 Cu 0.427475 0.955984 0.5 337 63.546 0.00454907 -3.53688 63.546000 Cu 0.489743 0.922433 0.5 287 63.546 0.000672712 -3.53746 63.546000 Cu 0.494187 0.955655 0.5 292 63.546 0.00275432 -3.53729 63.546000 Cu 0.556246 0.921821 0.5 238 63.546 0.00264537 -3.53708 63.546000 Cu 0.525325 0.93882 0 289 63.546 0.00124917 -3.53711 63.546000 Cu 0.560789 0.955341 0.5 291 63.546 0.00348586 -3.53671 63.546000 Cu 0.622363 0.92073 0.5 237 63.546 0.0127419 -3.53609 63.546000 Cu 0.591721 0.938259 0 236 63.546 0.00786679 -3.53619 63.546000 Cu 0.627102 0.954738 0.5 241 63.546 0.0225112 -3.53306 63.546000 Cu 0.657603 0.936806 1.22871e-16 239 63.546 0.0316758 -3.53196 63.546000 Cu 0.722962 0.933329 6.00397e-20 436 63.546 0.0422071 -3.52804 63.546000 Cu 0.69248 0.952599 0.5 448 63.546 0.0748483 -3.51986 63.546000 Cu 0.788891 0.927499 1.20079e-19 439 63.546 0.100554 -3.52112 63.546000 Cu 0.757412 0.94757 0.5 442 63.546 0.0840464 -3.51402 63.546000 Cu 0.824502 0.941706 0.5 441 63.546 0.112637 -3.52694 63.546000 Cu 0.792931 0.959482 1.22961e-16 440 63.546 0.420449 -3.48446 63.546000 Cu 0.856041 0.924398 0 422 63.546 0.0238602 -3.53514 63.546000 Cu 0.891809 0.93996 0.5 428 63.546 0.00952035 -3.53599 63.546000 Cu 0.860534 0.95674 1.22721e-16 443 63.546 0.0330146 -3.53238 63.546000 Cu 0.989743 0.922433 2.45863e-17 398 63.546 0.000672712 -3.53746 63.546000 Cu 0.994187 0.955655 7.61004e-17 429 63.546 0.00275432 -3.53729 63.546000 Cu 0.923022 0.923103 7.80216e-17 425 63.546 0.00379834 -3.53753 63.546000 Cu 0.927475 0.955984 1.13265e-16 426 63.546 0.00454907 -3.53688 63.546000 Cu 0.958676 0.939263 0.5 427 63.546 0.00162948 -3.5372 63.546000 Cu 0.0294632 0.972188 0.5 431 63.546 0.00931228 -3.53771 63.546000 Cu 0.0642994 0.988855 5.05234e-17 433 63.546 0.0241736 -3.53802 63.546000 Cu 0.131314 0.98868 4.31986e-17 406 63.546 0.035945 -3.53418 63.546000 Cu 0.0961444 0.971974 0.5 408 63.546 0.0105814 -3.53641 63.546000 Cu 0.162731 0.971387 0.5 407 63.546 0.102898 -3.52498 63.546000 Cu 0.227311 0.967673 0.5 376 63.546 0.270363 -3.48056 63.546000 Cu 0.198352 0.988275 1 409 63.546 0.53737 -3.48823 63.546000 Cu 0.261431 0.981036 1 374 63.546 5.44691 -3.35807 63.546000 Cu 0.298719 0.990398 0.5 379 63.546 5.54931 -3.37825 63.546000 Cu 0.329161 0.973615 7.53799e-17 377 63.546 0.269619 -3.5137 63.546000 Cu 0.396077 0.972603 1 336 63.546 0.0147155 -3.53538 63.546000 Cu 0.364767 0.989086 0.5 378 63.546 0.0604266 -3.53174 63.546000 Cu 0.462774 0.972339 1.24342e-16 339 63.546 0.00922896 -3.53774 63.546000 Cu 0.430933 0.988937 0.5 341 63.546 0.0254757 -3.53817 63.546000 Cu 0.497512 0.988888 0.5 340 63.546 0.0225356 -3.53888 63.546000 Cu 0.529463 0.972188 1 290 63.546 0.00931228 -3.53771 63.546000 Cu 0.564299 0.988855 0.5 295 63.546 0.0241736 -3.53802 63.546000 Cu 0.596144 0.971974 1.22691e-16 293 63.546 0.0105814 -3.53641 63.546000 Cu 0.631314 0.98868 0.5 294 63.546 0.035945 -3.53418 63.546000 Cu 0.662731 0.971387 9.37821e-17 240 63.546 0.102898 -3.52498 63.546000 Cu 0.727311 0.967673 1 449 63.546 0.270363 -3.48056 63.546000 Cu 0.698352 0.988275 0.5 452 63.546 0.53737 -3.48823 63.546000 Cu 0.761431 0.981036 0.5 451 63.546 5.44691 -3.35807 63.546000 Cu 0.798719 0.990398 1 453 63.546 5.54931 -3.37825 63.546000 Cu 0.829161 0.973615 0.5 446 63.546 0.269619 -3.5137 63.546000 Cu 0.864767 0.989086 1.22601e-16 444 63.546 0.0604266 -3.53174 63.546000 Cu 0.896077 0.972603 0.5 445 63.546 0.0147155 -3.53538 63.546000 Cu 0.997512 0.988888 7.87121e-17 430 63.546 0.0225356 -3.53888 63.546000 Cu 0.962774 0.972339 0.5 432 63.546 0.00922896 -3.53774 63.546000 Cu 0.930933 0.988937 2.45322e-16 447 63.546 0.0254757 -3.53817