Number of particles = 900 A = 1 Angstrom (basic length-scale) H0(1,1) = 38.4527 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) = 3.61584 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 0.0638865 0.0223081 1 586 63.546 0.0218067 -3.53812 63.546000 Cu 0.0310088 0.00556433 0.5 587 63.546 0.0300665 -3.5389 63.546000 Cu 0.0291452 0.0389232 0.5 588 63.546 0.0108286 -3.53817 63.546000 Cu 0.0982592 0.00557345 0.5 589 63.546 0.0581682 -3.53616 63.546000 Cu 0.130851 0.0224631 2.39878e-19 635 63.546 0.0283304 -3.53433 63.546000 Cu 0.166018 0.0055136 0.5 637 63.546 0.143304 -3.52557 63.546000 Cu 0.0958495 0.0392082 0.5 633 63.546 0.0105975 -3.53668 63.546000 Cu 0.162648 0.0396336 0.5 638 63.546 0.123184 -3.52529 63.546000 Cu 0.197875 0.0226076 1.19939e-19 636 63.546 0.524159 -3.48993 63.546000 Cu 0.235489 0.00543644 0.5 639 63.546 4.82599 -3.39587 63.546000 Cu 0.260662 0.0292037 1 693 63.546 5.67044 -3.35053 63.546000 Cu 0.331944 0.00544756 7.23232e-17 455 63.546 3.52643 -3.44586 63.546000 Cu 0.32902 0.0373078 1.94181e-16 694 63.546 0.331026 -3.51113 63.546000 Cu 0.297444 0.0204828 0.5 695 63.546 5.59036 -3.40027 63.546000 Cu 0.397333 0.00546874 1 456 63.546 0.0201444 -3.53684 63.546000 Cu 0.364135 0.0217873 0.5 457 63.546 0.049024 -3.53228 63.546000 Cu 0.39574 0.0383119 1.08065e-16 461 63.546 0.0167077 -3.53605 63.546000 Cu 0.462421 0.0386453 0 462 63.546 0.0099079 -3.5384 63.546000 Cu 0.430419 0.0219924 0.5 463 63.546 0.0224405 -3.53862 63.546000 Cu 0.464156 0.0055284 2.30283e-17 465 63.546 0.0242953 -3.53929 63.546000 Cu 0.497084 0.0221748 0.5 467 63.546 0.0200027 -3.53915 63.546000 Cu 0.531009 0.00556433 1 466 63.546 0.0300665 -3.5389 63.546000 Cu 0.529145 0.0389232 1 479 63.546 0.0108286 -3.53817 63.546000 Cu 0.563886 0.0223081 0.5 481 63.546 0.0218067 -3.53812 63.546000 Cu 0.598259 0.00557345 1 483 63.546 0.0581682 -3.53616 63.546000 Cu 0.666018 0.0055136 4.88152e-17 484 63.546 0.143304 -3.52557 63.546000 Cu 0.630851 0.0224631 0.5 485 63.546 0.0283304 -3.53433 63.546000 Cu 0.59585 0.0392082 0 480 63.546 0.0105975 -3.53668 63.546000 Cu 0.662648 0.0396336 2.14691e-17 505 63.546 0.123184 -3.52529 63.546000 Cu 0.697875 0.0226076 0.5 507 63.546 0.524159 -3.48993 63.546000 Cu 0.735489 0.00543644 1 509 63.546 4.82599 -3.39587 63.546000 Cu 0.760662 0.0292037 0.5 511 63.546 5.67044 -3.35053 63.546000 Cu 0.797444 0.0204828 1 510 63.546 5.59036 -3.40027 63.546000 Cu 0.831944 0.00544756 0.5 512 63.546 3.52643 -3.44586 63.546000 Cu 0.82902 0.0373078 0.5 541 63.546 0.331026 -3.51113 63.546000 Cu 0.864135 0.0217873 1.08785e-16 543 63.546 0.049024 -3.53228 63.546000 Cu 0.897333 0.00546874 0.5 545 63.546 0.0201444 -3.53684 63.546000 Cu 0.89574 0.0383119 0.5 546 63.546 0.0167077 -3.53605 63.546000 Cu 0.930419 0.0219924 3.58618e-17 544 63.546 0.0224405 -3.53862 63.546000 Cu 0.964156 0.0055284 0.5 547 63.546 0.0242953 -3.53929 63.546000 Cu 0.962421 0.0386453 0.5 583 63.546 0.0099079 -3.5384 63.546000 Cu 0.997084 0.0221748 1 585 63.546 0.0200027 -3.53915 63.546000 Cu 0.0249857 0.0723185 0.5 629 63.546 0.00127653 -3.53745 63.546000 Cu 0.0604333 0.0558375 1.47045e-16 631 63.546 0.00291162 -3.53706 63.546000 Cu 0.0913958 0.0729131 0.5 634 63.546 0.00633054 -3.53624 63.546000 Cu 0.126825 0.0563529 1 632 63.546 0.0246348 -3.53266 63.546000 Cu 0.157338 0.0742562 0.5 687 63.546 0.0285258 -3.53172 63.546000 Cu 0.192163 0.0583874 2.04256e-16 689 63.546 0.0654258 -3.51916 63.546000 Cu 0.227274 0.0432901 0.5 691 63.546 0.259235 -3.4896 63.546000 Cu 0.222772 0.0775023 0.5 692 63.546 0.0474717 -3.53002 63.546000 Cu 0.257223 0.0628788 1 690 63.546 0.17383 -3.51318 63.546000 Cu 0.292947 0.0514979 0.5 696 63.546 0.533188 -3.4857 63.546000 Cu 0.32434 0.0692344 1.12743e-17 751 63.546 0.137524 -3.52583 63.546000 Cu 0.391556 0.0709801 1.30014e-16 458 63.546 0.00851585 -3.536 63.546000 Cu 0.360406 0.0541785 0.5 459 63.546 0.0328284 -3.53271 63.546000 Cu 0.427234 0.0549629 0.5 464 63.546 0.00578044 -3.53727 63.546000 Cu 0.45839 0.0717493 1.68394e-16 475 63.546 0.00194671 -3.53754 63.546000 Cu 0.493894 0.0554211 0.5 477 63.546 0.00382971 -3.53782 63.546000 Cu 0.524986 0.0723185 1 476 63.546 0.00127653 -3.53745 63.546000 Cu 0.560433 0.0558375 0.5 482 63.546 0.00291162 -3.53706 63.546000 Cu 0.591396 0.0729131 6.34477e-17 501 63.546 0.00633054 -3.53624 63.546000 Cu 0.657338 0.0742562 7.0764e-18 502 63.546 0.0285258 -3.53172 63.546000 Cu 0.626825 0.0563529 0.5 503 63.546 0.0246348 -3.53266 63.546000 Cu 0.727274 0.0432901 4.1259e-17 506 63.546 0.259235 -3.4896 63.546000 Cu 0.692163 0.0583874 0.5 508 63.546 0.0654258 -3.51916 63.546000 Cu 0.722772 0.0775023 3.5502e-17 535 63.546 0.0474717 -3.53002 63.546000 Cu 0.757223 0.0628788 0.5 537 63.546 0.17383 -3.51318 63.546000 Cu 0.792947 0.0514979 6.81254e-17 539 63.546 0.533188 -3.4857 63.546000 Cu 0.82434 0.0692344 0.5 542 63.546 0.137524 -3.52583 63.546000 Cu 0.860406 0.0541785 1.74271e-16 540 63.546 0.0328284 -3.53271 63.546000 Cu 0.891556 0.0709801 0.5 579 63.546 0.00851585 -3.536 63.546000 Cu 0.927234 0.0549629 7.92797e-17 581 63.546 0.00578044 -3.53727 63.546000 Cu 0.993894 0.0554211 2.32922e-16 582 63.546 0.00382971 -3.53782 63.546000 Cu 0.95839 0.0717493 0.5 584 63.546 0.00194671 -3.53754 63.546000 Cu 0.0558363 0.0893598 7.868e-17 628 63.546 0.00167621 -3.53726 63.546000 Cu 0.0202645 0.105676 0.5 630 63.546 0.000777781 -3.53788 63.546000 Cu 0.0865935 0.106623 0.5 683 63.546 0.00413624 -3.53734 63.546000 Cu 0.121982 0.0903881 1 685 63.546 0.0107502 -3.53567 63.546000 Cu 0.152615 0.108257 0.5 688 63.546 0.0169419 -3.5363 63.546000 Cu 0.187725 0.0925889 1 686 63.546 0.0288687 -3.5337 63.546000 Cu 0.218291 0.11141 0.5 745 63.546 0.0149307 -3.53514 63.546000 Cu 0.253238 0.0966895 1.19939e-19 747 63.546 0.0336897 -3.52953 63.546000 Cu 0.319908 0.101542 1.64556e-16 748 63.546 0.0509463 -3.5339 63.546000 Cu 0.288574 0.0834428 0.5 749 63.546 0.135061 -3.52044 63.546000 Cu 0.284307 0.115982 0.5 750 63.546 0.0302524 -3.53363 63.546000 Cu 0.355718 0.0865715 0.5 460 63.546 0.025568 -3.53521 63.546000 Cu 0.351119 0.119126 0.5 469 63.546 0.01646 -3.53745 63.546000 Cu 0.38689 0.103681 1 471 63.546 0.00775008 -3.53765 63.546000 Cu 0.422689 0.0878605 0.5 473 63.546 0.00279998 -3.53756 63.546000 Cu 0.453685 0.104822 7.71208e-17 472 63.546 0.00124344 -3.53806 63.546000 Cu 0.489361 0.0886581 0.5 478 63.546 0.00074639 -3.53773 63.546000 Cu 0.520265 0.105676 5.7091e-17 497 63.546 0.000777781 -3.53788 63.546000 Cu 0.555836 0.0893598 0.5 499 63.546 0.00167621 -3.53726 63.546000 Cu 0.586593 0.106623 1 498 63.546 0.00413624 -3.53734 63.546000 Cu 0.621982 0.0903881 0.5 504 63.546 0.0107502 -3.53567 63.546000 Cu 0.652615 0.108257 3.65814e-17 531 63.546 0.0169419 -3.5363 63.546000 Cu 0.718291 0.11141 4.29382e-17 532 63.546 0.0149307 -3.53514 63.546000 Cu 0.687725 0.0925889 0.5 533 63.546 0.0288687 -3.5337 63.546000 Cu 0.753238 0.0966895 0.5 538 63.546 0.0336897 -3.52953 63.546000 Cu 0.788574 0.0834428 1 536 63.546 0.135061 -3.52044 63.546000 Cu 0.784307 0.115982 1 573 63.546 0.0302524 -3.53363 63.546000 Cu 0.819908 0.101542 0.5 575 63.546 0.0509463 -3.5339 63.546000 Cu 0.851119 0.119126 1 574 63.546 0.01646 -3.53745 63.546000 Cu 0.855718 0.0865715 5.67312e-17 577 63.546 0.025568 -3.53521 63.546000 Cu 0.88689 0.103681 0.5 580 63.546 0.00775008 -3.53765 63.546000 Cu 0.922689 0.0878605 1.19939e-19 578 63.546 0.00279998 -3.53756 63.546000 Cu 0.953685 0.104822 0.5 625 63.546 0.00124344 -3.53806 63.546000 Cu 0.989361 0.0886581 1 627 63.546 0.00074639 -3.53773 63.546000 Cu 0.0461377 0.156268 1 678 63.546 0.00104033 -3.53865 63.546000 Cu 0.0153788 0.139004 0.5 679 63.546 0.000430318 -3.5384 63.546000 Cu 0.0510232 0.122851 7.0764e-18 681 63.546 0.00128603 -3.53801 63.546000 Cu 0.0817388 0.140211 0.5 684 63.546 0.00323995 -3.53828 63.546000 Cu 0.117233 0.124171 1.5712e-17 682 63.546 0.00815606 -3.53763 63.546000 Cu 0.112358 0.157798 9.835e-18 739 63.546 0.00508335 -3.53871 63.546000 Cu 0.147793 0.14205 0.5 741 63.546 0.00857629 -3.53807 63.546000 Cu 0.183111 0.126521 1 743 63.546 0.0124725 -3.53683 63.546000 Cu 0.248959 0.130122 1.27255e-16 744 63.546 0.00797838 -3.53635 63.546000 Cu 0.213715 0.14498 0.5 746 63.546 0.0061649 -3.538 63.546000 Cu 0.279839 0.148806 0.5 795 63.546 0.0078108 -3.53761 63.546000 Cu 0.315403 0.134131 1 797 63.546 0.0199998 -3.53736 63.546000 Cu 0.346427 0.151869 0.5 470 63.546 0.0101389 -3.53883 63.546000 Cu 0.382155 0.136487 1 468 63.546 0.00670991 -3.53871 63.546000 Cu 0.413089 0.153758 0.5 491 63.546 0.00274614 -3.53909 63.546000 Cu 0.417921 0.120776 0.5 474 63.546 0.00268737 -3.53842 63.546000 Cu 0.448835 0.137903 1.41528e-17 493 63.546 0.0010512 -3.53863 63.546000 Cu 0.484571 0.121864 0.5 495 63.546 0.000536192 -3.53823 63.546000 Cu 0.479681 0.155063 0.5 496 63.546 0.000370443 -3.53877 63.546000 Cu 0.515379 0.139004 0 494 63.546 0.000430318 -3.5384 63.546000 Cu 0.551023 0.122851 0.5 500 63.546 0.00128603 -3.53801 63.546000 Cu 0.546138 0.156268 0.5 525 63.546 0.00104033 -3.53865 63.546000 Cu 0.581739 0.140211 1.34332e-17 527 63.546 0.00323995 -3.53828 63.546000 Cu 0.647793 0.14205 0 528 63.546 0.00857629 -3.53807 63.546000 Cu 0.617233 0.124171 0.5 529 63.546 0.00815606 -3.53763 63.546000 Cu 0.612358 0.157798 0.5 530 63.546 0.00508335 -3.53871 63.546000 Cu 0.683111 0.126521 0.5 534 63.546 0.0124725 -3.53683 63.546000 Cu 0.713715 0.14498 1 569 63.546 0.0061649 -3.538 63.546000 Cu 0.748959 0.130122 0.5 571 63.546 0.00797838 -3.53635 63.546000 Cu 0.779839 0.148806 1.82307e-17 570 63.546 0.0078108 -3.53761 63.546000 Cu 0.815403 0.134131 0.5 576 63.546 0.0199998 -3.53736 63.546000 Cu 0.846427 0.151869 1.27135e-17 619 63.546 0.0101389 -3.53883 63.546000 Cu 0.913089 0.153758 1 620 63.546 0.00274614 -3.53909 63.546000 Cu 0.882155 0.136487 0.5 621 63.546 0.00670991 -3.53871 63.546000 Cu 0.917921 0.120776 0 623 63.546 0.00268737 -3.53842 63.546000 Cu 0.984571 0.121864 1 624 63.546 0.000536192 -3.53823 63.546000 Cu 0.948835 0.137903 0.5 626 63.546 0.0010512 -3.53863 63.546000 Cu 0.979681 0.155063 0 677 63.546 0.000370443 -3.53877 63.546000 Cu 0.0413579 0.189643 3.02246e-17 735 63.546 0.00069555 -3.53908 63.546000 Cu 0.0768946 0.173691 0.5 737 63.546 0.00218442 -3.53898 63.546000 Cu 0.0105607 0.172306 0.5 680 63.546 0.000268744 -3.53892 63.546000 Cu 0.107651 0.191277 3.07044e-17 736 63.546 0.00352482 -3.53936 63.546000 Cu 0.143088 0.175614 0.5 742 63.546 0.00523574 -3.53918 63.546000 Cu 0.178407 0.160144 2.39878e-19 740 63.546 0.00661187 -3.53867 63.546000 Cu 0.173833 0.193599 1 789 63.546 0.00394895 -3.53942 63.546000 Cu 0.240011 0.196644 1.04947e-16 790 63.546 0.000841983 -3.53901 63.546000 Cu 0.209165 0.178384 0.5 791 63.546 0.00333309 -3.53897 63.546000 Cu 0.244457 0.16341 2.1733e-16 793 63.546 0.00232247 -3.53833 63.546000 Cu 0.31083 0.166933 0 794 63.546 0.00851594 -3.53875 63.546000 Cu 0.275382 0.181804 0.5 796 63.546 0.00262079 -3.53874 63.546000 Cu 0.306388 0.199887 2.39878e-18 835 63.546 0.00406762 -3.53932 63.546000 Cu 0.341892 0.184762 0.5 487 63.546 0.00602797 -3.53942 63.546000 Cu 0.377459 0.169394 1 489 63.546 0.00522078 -3.53939 63.546000 Cu 0.408469 0.186821 0.5 492 63.546 0.00274948 -3.53956 63.546000 Cu 0.44405 0.171016 1 490 63.546 0.00100301 -3.53919 63.546000 Cu 0.474974 0.188292 0.5 521 63.546 0.000269884 -3.53918 63.546000 Cu 0.510561 0.172306 1 523 63.546 0.000268744 -3.53892 63.546000 Cu 0.576895 0.173691 1 524 63.546 0.00218442 -3.53898 63.546000 Cu 0.541358 0.189643 0.5 526 63.546 0.00069555 -3.53908 63.546000 Cu 0.607651 0.191277 0.5 563 63.546 0.00352482 -3.53936 63.546000 Cu 0.643088 0.175614 1.21138e-16 565 63.546 0.00523574 -3.53918 63.546000 Cu 0.678407 0.160144 0.5 567 63.546 0.00661187 -3.53867 63.546000 Cu 0.673833 0.193599 0.5 568 63.546 0.00394895 -3.53942 63.546000 Cu 0.709165 0.178384 1 566 63.546 0.00333309 -3.53897 63.546000 Cu 0.744457 0.16341 0.5 572 63.546 0.00232247 -3.53833 63.546000 Cu 0.740011 0.196644 0.5 613 63.546 0.000841983 -3.53901 63.546000 Cu 0.775382 0.181804 0 615 63.546 0.00262079 -3.53874 63.546000 Cu 0.81083 0.166933 0.5 617 63.546 0.00851594 -3.53875 63.546000 Cu 0.806388 0.199887 0.5 618 63.546 0.00406762 -3.53932 63.546000 Cu 0.841892 0.184762 1 616 63.546 0.00602797 -3.53942 63.546000 Cu 0.877459 0.169394 0.5 622 63.546 0.00522078 -3.53939 63.546000 Cu 0.908469 0.186821 0 673 63.546 0.00274948 -3.53956 63.546000 Cu 0.974974 0.188292 4.94149e-17 674 63.546 0.000269884 -3.53918 63.546000 Cu 0.94405 0.171016 0.5 675 63.546 0.00100301 -3.53919 63.546000 Cu 0.0367234 0.222992 1 732 63.546 0.000443358 -3.53938 63.546000 Cu 0.072189 0.207096 0.5 738 63.546 0.00153243 -3.53938 63.546000 Cu 0.00583716 0.205615 0.5 733 63.546 0.000114389 -3.5392 63.546000 Cu 0.00128934 0.238919 0.5 734 63.546 4.07557e-05 -3.53941 63.546000 Cu 0.103086 0.224652 1 785 63.546 0.0026742 -3.53971 63.546000 Cu 0.138462 0.209028 0.5 787 63.546 0.00401359 -3.53967 63.546000 Cu 0.169392 0.226909 1 786 63.546 0.00340026 -3.53968 63.546000 Cu 0.204683 0.211686 0.5 792 63.546 0.00227373 -3.53936 63.546000 Cu 0.235672 0.229838 0 831 63.546 0.000439573 -3.53912 63.546000 Cu 0.30202 0.232947 1 832 63.546 0.00248576 -3.53941 63.546000 Cu 0.270953 0.214871 0.5 833 63.546 0.00107729 -3.53914 63.546000 Cu 0.337383 0.217758 0.5 488 63.546 0.00389865 -3.5397 63.546000 Cu 0.372918 0.202397 3.29832e-17 486 63.546 0.00384034 -3.53974 63.546000 Cu 0.368433 0.23549 7.92797e-17 515 63.546 0.00306896 -3.53989 63.546000 Cu 0.403875 0.219933 0.5 517 63.546 0.00249254 -3.53976 63.546000 Cu 0.434864 0.23739 2.39878e-19 516 63.546 0.00104389 -3.53968 63.546000 Cu 0.439434 0.204182 2.05096e-17 519 63.546 0.0010182 -3.53949 63.546000 Cu 0.470322 0.221552 0.5 522 63.546 0.000398492 -3.53941 63.546000 Cu 0.505837 0.205615 3.81406e-17 520 63.546 0.000114389 -3.5392 63.546000 Cu 0.501289 0.238919 6.66861e-17 557 63.546 4.07557e-05 -3.53941 63.546000 Cu 0.536723 0.222992 0.5 559 63.546 0.000443358 -3.53938 63.546000 Cu 0.572189 0.207096 1 561 63.546 0.00153243 -3.53938 63.546000 Cu 0.638462 0.209028 1.04587e-16 562 63.546 0.00401359 -3.53967 63.546000 Cu 0.603086 0.224652 0.5 564 63.546 0.0026742 -3.53971 63.546000 Cu 0.669392 0.226909 0.5 609 63.546 0.00340026 -3.53968 63.546000 Cu 0.704683 0.211686 1 611 63.546 0.00227373 -3.53936 63.546000 Cu 0.735672 0.229838 0.5 614 63.546 0.000439573 -3.53912 63.546000 Cu 0.770953 0.214871 1 612 63.546 0.00107729 -3.53914 63.546000 Cu 0.80202 0.232947 0.5 667 63.546 0.00248576 -3.53941 63.546000 Cu 0.837383 0.217758 1 669 63.546 0.00389865 -3.5397 63.546000 Cu 0.903875 0.219933 7.0764e-18 670 63.546 0.00249254 -3.53976 63.546000 Cu 0.872918 0.202397 0.5 671 63.546 0.00384034 -3.53974 63.546000 Cu 0.868433 0.23549 0.5 672 63.546 0.00306896 -3.53989 63.546000 Cu 0.939434 0.204182 0.5 676 63.546 0.0010182 -3.53949 63.546000 Cu 0.934864 0.23739 0.5 729 63.546 0.00104389 -3.53968 63.546000 Cu 0.970322 0.221552 2.72262e-17 731 63.546 0.000398492 -3.53941 63.546000 Cu 0.0322898 0.256299 1.19939e-19 781 63.546 0.000212343 -3.5395 63.546000 Cu 0.0677142 0.240426 0.5 783 63.546 0.00110974 -3.53963 63.546000 Cu 0.0632914 0.273694 0.5 784 63.546 0.000992268 -3.53966 63.546000 Cu 0.0987123 0.257932 1.3781e-16 782 63.546 0.00211063 -3.53982 63.546000 Cu 0.134092 0.242321 0.5 788 63.546 0.00356247 -3.53987 63.546000 Cu 0.129728 0.275512 0.5 825 63.546 0.00383648 -3.53989 63.546000 Cu 0.16512 0.260109 1.35531e-16 827 63.546 0.00362896 -3.53977 63.546000 Cu 0.231511 0.262984 1.9742e-16 828 63.546 0.000498941 -3.53919 63.546000 Cu 0.200441 0.244906 0.5 829 63.546 0.00190819 -3.53942 63.546000 Cu 0.196167 0.278031 0.5 830 63.546 0.00267541 -3.53942 63.546000 Cu 0.33313 0.250891 0.5 514 63.546 0.00311412 -3.53973 63.546000 Cu 0.266783 0.248001 0.5 834 63.546 0.000375212 -3.53913 63.546000 Cu 0.297855 0.2661 1.61438e-16 865 63.546 0.00188642 -3.53942 63.546000 Cu 0.364159 0.268722 8.16785e-17 513 63.546 0.00314793 -3.53986 63.546000 Cu 0.399479 0.253137 0.5 518 63.546 0.00229949 -3.53986 63.546000 Cu 0.430502 0.270688 1.19939e-19 553 63.546 0.00130742 -3.53968 63.546000 Cu 0.496884 0.272228 7.22033e-17 554 63.546 5.59265e-05 -3.53946 63.546000 Cu 0.465865 0.254832 0.5 555 63.546 0.000406247 -3.53955 63.546000 Cu 0.567714 0.240426 2.39878e-19 558 63.546 0.00110974 -3.53963 63.546000 Cu 0.53229 0.256299 0.5 560 63.546 0.000212343 -3.5395 63.546000 Cu 0.563291 0.273694 1 603 63.546 0.000992268 -3.53966 63.546000 Cu 0.629728 0.275512 1.22338e-17 604 63.546 0.00383648 -3.53989 63.546000 Cu 0.598712 0.257932 0.5 605 63.546 0.00211063 -3.53982 63.546000 Cu 0.634092 0.242321 1 607 63.546 0.00356247 -3.53987 63.546000 Cu 0.66512 0.260109 0.5 610 63.546 0.00362896 -3.53977 63.546000 Cu 0.700441 0.244906 1 608 63.546 0.00190819 -3.53942 63.546000 Cu 0.696167 0.278031 1.27615e-16 661 63.546 0.00267541 -3.53942 63.546000 Cu 0.731511 0.262984 0.5 663 63.546 0.000498941 -3.53919 63.546000 Cu 0.766783 0.248001 1 665 63.546 0.000375212 -3.53913 63.546000 Cu 0.83313 0.250891 1 666 63.546 0.00311412 -3.53973 63.546000 Cu 0.797855 0.2661 0.5 668 63.546 0.00188642 -3.53942 63.546000 Cu 0.864159 0.268722 0.5 725 63.546 0.00314793 -3.53986 63.546000 Cu 0.899479 0.253137 1 727 63.546 0.00229949 -3.53986 63.546000 Cu 0.965865 0.254832 3.07044e-17 728 63.546 0.000406247 -3.53955 63.546000 Cu 0.930502 0.270688 0.5 730 63.546 0.00130742 -3.53968 63.546000 Cu 0.996884 0.272228 0.5 779 63.546 5.59265e-05 -3.53946 63.546000 Cu 0.0278965 0.289584 4.65363e-17 778 63.546 0.000182171 -3.5395 63.546000 Cu 0.0589705 0.306927 0.5 821 63.546 0.000809665 -3.5396 63.546000 Cu 0.0943487 0.291145 1.19939e-19 823 63.546 0.00196437 -3.53982 63.546000 Cu 0.160845 0.293226 7.0764e-18 824 63.546 0.00453364 -3.53966 63.546000 Cu 0.125492 0.30863 0.5 826 63.546 0.00433325 -3.53975 63.546000 Cu 0.192045 0.311088 0.5 859 63.546 0.00446348 -3.5391 63.546000 Cu 0.227296 0.296094 0 861 63.546 0.00106962 -3.53893 63.546000 Cu 0.262547 0.281142 0.5 863 63.546 0.000250674 -3.53909 63.546000 Cu 0.258448 0.314313 0.5 864 63.546 0.00058092 -3.53865 63.546000 Cu 0.293618 0.299305 1 862 63.546 0.00190802 -3.53909 63.546000 Cu 0.328848 0.284125 0.5 866 63.546 0.00352778 -3.53959 63.546000 Cu 0.324643 0.317448 0.5 887 63.546 0.00465174 -3.53918 63.546000 Cu 0.359849 0.302023 7.05242e-17 549 63.546 0.00359286 -3.53962 63.546000 Cu 0.39515 0.286437 0.5 551 63.546 0.00262373 -3.53975 63.546000 Cu 0.390821 0.319811 0.5 552 63.546 0.0033084 -3.53949 63.546000 Cu 0.426136 0.30403 5.87701e-18 550 63.546 0.00179672 -3.53955 63.546000 Cu 0.461498 0.288155 0.5 556 63.546 0.000614799 -3.53949 63.546000 Cu 0.492518 0.305539 1 599 63.546 0.000188723 -3.53939 63.546000 Cu 0.558971 0.306927 1 600 63.546 0.000809665 -3.5396 63.546000 Cu 0.527896 0.289584 0.5 601 63.546 0.000182171 -3.5395 63.546000 Cu 0.594349 0.291145 0.5 606 63.546 0.00196437 -3.53982 63.546000 Cu 0.625492 0.30863 2.5667e-17 657 63.546 0.00433325 -3.53975 63.546000 Cu 0.660845 0.293226 0.5 659 63.546 0.00453364 -3.53966 63.546000 Cu 0.692045 0.311088 0 658 63.546 0.00446348 -3.5391 63.546000 Cu 0.727296 0.296094 0.5 664 63.546 0.00106962 -3.53893 63.546000 Cu 0.762547 0.281142 4.29382e-17 662 63.546 0.000250674 -3.53909 63.546000 Cu 0.758448 0.314313 1 719 63.546 0.00058092 -3.53865 63.546000 Cu 0.824643 0.317448 1 720 63.546 0.00465174 -3.53918 63.546000 Cu 0.793618 0.299305 0.5 721 63.546 0.00190802 -3.53909 63.546000 Cu 0.828848 0.284125 1 723 63.546 0.00352778 -3.53959 63.546000 Cu 0.89515 0.286437 1.19939e-19 724 63.546 0.00262373 -3.53975 63.546000 Cu 0.859849 0.302023 0.5 726 63.546 0.00359286 -3.53962 63.546000 Cu 0.890821 0.319811 8.95945e-17 773 63.546 0.0033084 -3.53949 63.546000 Cu 0.926136 0.30403 0.5 775 63.546 0.00179672 -3.53955 63.546000 Cu 0.961498 0.288155 1.10824e-16 777 63.546 0.000614799 -3.53949 63.546000 Cu 0.992518 0.305539 0.5 780 63.546 0.000188723 -3.53939 63.546000 Cu 0.0191883 0.356077 5.81704e-17 816 63.546 0.000305214 -3.53913 63.546000 Cu 0.0235476 0.322835 7.85601e-17 819 63.546 0.000214989 -3.53935 63.546000 Cu 0.0546179 0.340095 0.5 822 63.546 0.000887352 -3.53938 63.546000 Cu 0.090059 0.324272 2.27884e-17 820 63.546 0.00211501 -3.53961 63.546000 Cu 0.0857731 0.357322 1 853 63.546 0.00252113 -3.53927 63.546000 Cu 0.121226 0.341642 0.5 855 63.546 0.00536988 -3.5394 63.546000 Cu 0.156667 0.326237 1.34332e-17 857 63.546 0.00676091 -3.53933 63.546000 Cu 0.1525 0.359125 1.23297e-16 854 63.546 0.0106872 -3.53853 63.546000 Cu 0.223227 0.329162 0 858 63.546 0.00307672 -3.53839 63.546000 Cu 0.187895 0.344031 0.5 860 63.546 0.00956082 -3.53838 63.546000 Cu 0.25434 0.347548 0.5 884 63.546 0.00187801 -3.53768 63.546000 Cu 0.289472 0.332619 1 886 63.546 0.00303093 -3.53853 63.546000 Cu 0.320417 0.350915 0.5 888 63.546 0.0076286 -3.53837 63.546000 Cu 0.355568 0.335464 4.70161e-17 548 63.546 0.00556283 -3.53911 63.546000 Cu 0.386493 0.353295 0.5 593 63.546 0.00461663 -3.53894 63.546000 Cu 0.421769 0.337436 1 595 63.546 0.00246365 -3.53928 63.546000 Cu 0.488127 0.338842 0 596 63.546 0.000332671 -3.53921 63.546000 Cu 0.457136 0.321501 0.5 597 63.546 0.000980759 -3.53935 63.546000 Cu 0.452745 0.35488 0.5 598 63.546 0.00128527 -3.5391 63.546000 Cu 0.523548 0.322835 0.5 602 63.546 0.000214989 -3.53935 63.546000 Cu 0.519188 0.356077 0.5 651 63.546 0.000305214 -3.53913 63.546000 Cu 0.554618 0.340095 1.62757e-16 653 63.546 0.000887352 -3.53938 63.546000 Cu 0.590059 0.324272 0.5 655 63.546 0.00211501 -3.53961 63.546000 Cu 0.585773 0.357322 0.5 656 63.546 0.00252113 -3.53927 63.546000 Cu 0.621226 0.341642 0 654 63.546 0.00536988 -3.5394 63.546000 Cu 0.656667 0.326237 0.5 660 63.546 0.00676091 -3.53933 63.546000 Cu 0.6525 0.359125 0.5 713 63.546 0.0106872 -3.53853 63.546000 Cu 0.687895 0.344031 3.29832e-17 715 63.546 0.00956082 -3.53838 63.546000 Cu 0.723227 0.329162 0.5 717 63.546 0.00307672 -3.53839 63.546000 Cu 0.75434 0.347548 1.19939e-19 716 63.546 0.00187801 -3.53768 63.546000 Cu 0.789472 0.332619 0.5 722 63.546 0.00303093 -3.53853 63.546000 Cu 0.820417 0.350915 1 769 63.546 0.0076286 -3.53837 63.546000 Cu 0.886493 0.353295 1.62637e-16 770 63.546 0.00461663 -3.53894 63.546000 Cu 0.855568 0.335464 0.5 771 63.546 0.00556283 -3.53911 63.546000 Cu 0.921769 0.337436 0.5 776 63.546 0.00246365 -3.53928 63.546000 Cu 0.957136 0.321501 5.27732e-17 774 63.546 0.000980759 -3.53935 63.546000 Cu 0.952745 0.35488 8.4557e-17 815 63.546 0.00128527 -3.5391 63.546000 Cu 0.988127 0.338842 0.5 817 63.546 0.000332671 -3.53921 63.546000 Cu 0.0148746 0.389294 0 849 63.546 0.000502865 -3.53876 63.546000 Cu 0.0815736 0.390302 2.50673e-17 850 63.546 0.00249471 -3.53869 63.546000 Cu 0.0503191 0.373218 0.5 851 63.546 0.000970385 -3.53904 63.546000 Cu 0.117046 0.374544 0.5 856 63.546 0.00688022 -3.53874 63.546000 Cu 0.148421 0.391842 1 878 63.546 0.0184561 -3.53716 63.546000 Cu 0.215299 0.394952 1.07345e-16 879 63.546 0.0339878 -3.53242 63.546000 Cu 0.183871 0.376819 0.5 880 63.546 0.0222877 -3.53675 63.546000 Cu 0.21918 0.36214 1 882 63.546 0.00952218 -3.53668 63.546000 Cu 0.250409 0.380847 0.5 885 63.546 0.00777002 -3.53512 63.546000 Cu 0.316312 0.384525 0.5 454 63.546 0.0127637 -3.53662 63.546000 Cu 0.285361 0.366029 1 883 63.546 0.00589366 -3.53724 63.546000 Cu 0.281386 0.399596 6.34477e-17 900 63.546 0.0150618 -3.53442 63.546000 Cu 0.351331 0.369041 1 591 63.546 0.00941861 -3.53815 63.546000 Cu 0.382237 0.386929 0.5 594 63.546 0.00767216 -3.53799 63.546000 Cu 0.417436 0.370919 1 592 63.546 0.00313929 -3.53881 63.546000 Cu 0.448419 0.388318 0.5 647 63.546 0.00171727 -3.53863 63.546000 Cu 0.483768 0.372167 1 649 63.546 0.00069015 -3.53893 63.546000 Cu 0.550319 0.373218 0 650 63.546 0.000970385 -3.53904 63.546000 Cu 0.514875 0.389294 0.5 652 63.546 0.000502865 -3.53876 63.546000 Cu 0.581574 0.390302 0.5 709 63.546 0.00249471 -3.53869 63.546000 Cu 0.617046 0.374544 0 711 63.546 0.00688022 -3.53874 63.546000 Cu 0.648421 0.391842 0.5 714 63.546 0.0184561 -3.53716 63.546000 Cu 0.683871 0.376819 1 712 63.546 0.0222877 -3.53675 63.546000 Cu 0.71918 0.36214 0.5 718 63.546 0.00952218 -3.53668 63.546000 Cu 0.715299 0.394952 0.5 763 63.546 0.0339878 -3.53242 63.546000 Cu 0.750409 0.380847 1 765 63.546 0.00777002 -3.53512 63.546000 Cu 0.816312 0.384525 2.1589e-18 766 63.546 0.0127637 -3.53662 63.546000 Cu 0.785361 0.366029 0.5 767 63.546 0.00589366 -3.53724 63.546000 Cu 0.781386 0.399596 0.5 768 63.546 0.0150618 -3.53442 63.546000 Cu 0.851331 0.369041 0.5 772 63.546 0.00941861 -3.53815 63.546000 Cu 0.882237 0.386929 1.43687e-16 811 63.546 0.00767216 -3.53799 63.546000 Cu 0.917436 0.370919 0.5 813 63.546 0.00313929 -3.53881 63.546000 Cu 0.948419 0.388318 0 812 63.546 0.00171727 -3.53863 63.546000 Cu 0.983768 0.372167 0.5 818 63.546 0.00069015 -3.53893 63.546000 Cu 0.0460824 0.406305 0.5 852 63.546 0.000981613 -3.53838 63.546000 Cu 0.0772925 0.423215 1 874 63.546 0.00246102 -3.53763 63.546000 Cu 0.0105659 0.422497 1 846 63.546 0.000594387 -3.53802 63.546000 Cu 0.0417042 0.439361 0.5 872 63.546 0.00127259 -3.53755 63.546000 Cu 0.144289 0.424406 1 875 63.546 0.0272871 -3.53515 63.546000 Cu 0.11292 0.40734 0.5 876 63.546 0.00838072 -3.53763 63.546000 Cu 0.179925 0.409421 0.5 881 63.546 0.0527075 -3.53326 63.546000 Cu 0.21141 0.427497 4.43774e-18 896 63.546 0.140589 -3.51942 63.546000 Cu 0.246628 0.414278 0.5 898 63.546 0.0331304 -3.52838 63.546000 Cu 0.312191 0.418426 0.5 450 63.546 0.0276198 -3.53358 63.546000 Cu 0.277302 0.433485 4.19787e-17 897 63.546 0.0466384 -3.5296 63.546000 Cu 0.347102 0.402807 2.61467e-17 590 63.546 0.0166801 -3.5365 63.546000 Cu 0.342769 0.436803 6.47671e-18 641 63.546 0.0286288 -3.53197 63.546000 Cu 0.408667 0.438222 1.19939e-19 642 63.546 0.00655313 -3.53663 63.546000 Cu 0.377936 0.420701 0.5 643 63.546 0.0107195 -3.53604 63.546000 Cu 0.413128 0.404508 1 645 63.546 0.00418055 -3.5379 63.546000 Cu 0.47946 0.405504 1 646 63.546 0.000913051 -3.53841 63.546000 Cu 0.444067 0.421807 0.5 648 63.546 0.00218208 -3.53776 63.546000 Cu 0.47509 0.43885 0 703 63.546 0.000884292 -3.53772 63.546000 Cu 0.510566 0.422497 0.5 705 63.546 0.000594387 -3.53802 63.546000 Cu 0.546082 0.406305 4.61765e-17 707 63.546 0.000981613 -3.53838 63.546000 Cu 0.577293 0.423215 0.5 710 63.546 0.00246102 -3.53763 63.546000 Cu 0.541704 0.439361 6.96846e-17 704 63.546 0.00127259 -3.53755 63.546000 Cu 0.61292 0.40734 1.48844e-16 708 63.546 0.00838072 -3.53763 63.546000 Cu 0.644289 0.424406 0.5 759 63.546 0.0272871 -3.53515 63.546000 Cu 0.679925 0.409421 3.33431e-17 761 63.546 0.0527075 -3.53326 63.546000 Cu 0.746628 0.414278 1.60598e-16 762 63.546 0.0331304 -3.52838 63.546000 Cu 0.71141 0.427497 0.5 764 63.546 0.140589 -3.51942 63.546000 Cu 0.777302 0.433485 0.5 805 63.546 0.0466384 -3.5296 63.546000 Cu 0.812191 0.418426 1.47045e-16 807 63.546 0.0276198 -3.53358 63.546000 Cu 0.847102 0.402807 0.5 809 63.546 0.0166801 -3.5365 63.546000 Cu 0.842769 0.436803 0.5 810 63.546 0.0286288 -3.53197 63.546000 Cu 0.877936 0.420701 0 808 63.546 0.0107195 -3.53604 63.546000 Cu 0.913128 0.404508 0.5 814 63.546 0.00418055 -3.5379 63.546000 Cu 0.908667 0.438222 0.5 843 63.546 0.00655313 -3.53663 63.546000 Cu 0.944067 0.421807 1.19939e-19 845 63.546 0.00218208 -3.53776 63.546000 Cu 0.97946 0.405504 0.5 847 63.546 0.000913051 -3.53841 63.546000 Cu 0.97509 0.43885 0.5 848 63.546 0.000884292 -3.53772 63.546000 Cu 0.0729174 0.456107 6.11689e-18 871 63.546 0.00466297 -3.53702 63.546000 Cu 0.037713 0.472464 0.5 873 63.546 0.00900344 -3.5382 63.546000 Cu 0.00624535 0.455723 1 870 63.546 0.00269491 -3.53777 63.546000 Cu 0.108585 0.440029 0.5 877 63.546 0.00864352 -3.53585 63.546000 Cu 0.104396 0.472691 0.5 891 63.546 0.0170011 -3.53568 63.546000 Cu 0.139755 0.4568 0 892 63.546 0.0323628 -3.53232 63.546000 Cu 0.175766 0.441701 0.5 894 63.546 0.144097 -3.52556 63.546000 Cu 0.17109 0.473654 0.5 895 63.546 0.330114 -3.51106 63.546000 Cu 0.20721 0.459426 1 893 63.546 0.545351 -3.48528 63.546000 Cu 0.242912 0.448074 0.5 899 63.546 0.173586 -3.51255 63.546000 Cu 0.307991 0.452621 0.5 33 63.546 0.0647366 -3.51954 63.546000 Cu 0.272898 0.467679 2.20688e-17 135 63.546 0.255616 -3.49043 63.546000 Cu 0.337519 0.471401 2.00658e-16 640 63.546 0.119345 -3.52605 63.546000 Cu 0.373323 0.454749 0.5 644 63.546 0.0247402 -3.533 63.546000 Cu 0.404307 0.471927 8.91147e-17 699 63.546 0.00935346 -3.53691 63.546000 Cu 0.47099 0.472241 1 700 63.546 0.00985697 -3.53811 63.546000 Cu 0.439712 0.455335 0.5 701 63.546 0.00213897 -3.53725 63.546000 Cu 0.506245 0.455723 0.5 706 63.546 0.00269491 -3.53777 63.546000 Cu 0.537713 0.472464 1.19939e-19 753 63.546 0.00900344 -3.5382 63.546000 Cu 0.572917 0.456107 0.5 755 63.546 0.00466297 -3.53702 63.546000 Cu 0.604396 0.472691 1.5736e-16 754 63.546 0.0170011 -3.53568 63.546000 Cu 0.608585 0.440029 6.39275e-17 757 63.546 0.00864352 -3.53585 63.546000 Cu 0.639755 0.4568 0.5 760 63.546 0.0323628 -3.53232 63.546000 Cu 0.675766 0.441701 1.59639e-16 758 63.546 0.144097 -3.52556 63.546000 Cu 0.67109 0.473654 1.03627e-16 799 63.546 0.330114 -3.51106 63.546000 Cu 0.70721 0.459426 0.5 801 63.546 0.545351 -3.48528 63.546000 Cu 0.742912 0.448074 1 803 63.546 0.173586 -3.51255 63.546000 Cu 0.807991 0.452621 1.30734e-17 804 63.546 0.0647366 -3.51954 63.546000 Cu 0.772898 0.467679 0.5 806 63.546 0.255616 -3.49043 63.546000 Cu 0.837519 0.471401 0.5 839 63.546 0.119345 -3.52605 63.546000 Cu 0.873323 0.454749 1 841 63.546 0.0247402 -3.533 63.546000 Cu 0.904307 0.471927 0.5 844 63.546 0.00935346 -3.53691 63.546000 Cu 0.939712 0.455335 5.04943e-17 842 63.546 0.00213897 -3.53725 63.546000 Cu 0.97099 0.472241 0.5 869 63.546 0.00985697 -3.53811 63.546000 Cu 0.0359018 0.505584 0.5 60 63.546 0.0245133 -3.5393 63.546000 Cu 0.0696857 0.489075 0 889 63.546 0.0220944 -3.53845 63.546000 Cu 0.0030162 0.488969 3.71811e-17 868 63.546 0.0193901 -3.53906 63.546000 Cu 0.102719 0.505527 0.5 59 63.546 0.0202702 -3.53678 63.546000 Cu 0.135964 0.489163 1 890 63.546 0.0505899 -3.5319 63.546000 Cu 0.168102 0.505487 0.5 32 63.546 3.50852 -3.44553 63.546000 Cu 0.239458 0.481722 0.5 136 63.546 5.66432 -3.35199 63.546000 Cu 0.202631 0.490437 1.03507e-16 411 63.546 5.57765 -3.3991 63.546000 Cu 0.302252 0.488346 0.5 13 63.546 0.510864 -3.4915 63.546000 Cu 0.26461 0.505435 8.59963e-17 410 63.546 4.79802 -3.39844 63.546000 Cu 0.334097 0.50547 4.92949e-17 697 63.546 0.140632 -3.52602 63.546000 Cu 0.401833 0.505542 1 14 63.546 0.0567693 -3.53644 63.546000 Cu 0.369288 0.48863 0.5 698 63.546 0.027233 -3.53482 63.546000 Cu 0.469062 0.505585 1.19939e-19 3 63.546 0.0293953 -3.53896 63.546000 Cu 0.436205 0.488863 0.5 702 63.546 0.0221593 -3.53823 63.546000 Cu 0.503016 0.488969 0.5 752 63.546 0.0193901 -3.53906 63.546000 Cu 0.535902 0.505584 3.82606e-17 4 63.546 0.0245133 -3.5393 63.546000 Cu 0.569686 0.489075 0.5 756 63.546 0.0220944 -3.53845 63.546000 Cu 0.602719 0.505527 9.60712e-17 1 63.546 0.0202702 -3.53678 63.546000 Cu 0.635964 0.489163 0.5 798 63.546 0.0505899 -3.5319 63.546000 Cu 0.668102 0.505487 1 184 63.546 3.50852 -3.44553 63.546000 Cu 0.739458 0.481722 1.67195e-16 800 63.546 5.66432 -3.35199 63.546000 Cu 0.702631 0.490437 0.5 802 63.546 5.57765 -3.3991 63.546000 Cu 0.76461 0.505435 0.5 836 63.546 4.79802 -3.39844 63.546000 Cu 0.802252 0.488346 1 837 63.546 0.510864 -3.4915 63.546000 Cu 0.834097 0.50547 0.5 840 63.546 0.140632 -3.52602 63.546000 Cu 0.901833 0.505542 0.5 94 63.546 0.0567693 -3.53644 63.546000 Cu 0.869288 0.48863 1.60358e-16 838 63.546 0.027233 -3.53482 63.546000 Cu 0.969062 0.505585 0.5 93 63.546 0.0293953 -3.53896 63.546000 Cu 0.936205 0.488863 1 867 63.546 0.0221593 -3.53823 63.546000 Cu 0.0696933 0.522055 1 58 63.546 0.0215521 -3.53855 63.546000 Cu 0.00299881 0.522209 9.72706e-17 95 63.546 0.0204134 -3.53906 63.546000 Cu 0.00626066 0.555446 0 96 63.546 0.00374556 -3.53769 63.546000 Cu 0.0377094 0.538689 0.5 97 63.546 0.00979684 -3.53826 63.546000 Cu 0.0729105 0.555016 1.64316e-17 99 63.546 0.00619277 -3.5371 63.546000 Cu 0.135948 0.521837 1.19939e-19 61 63.546 0.0493628 -3.5321 63.546000 Cu 0.139726 0.554209 5.58916e-17 62 63.546 0.0331342 -3.53242 63.546000 Cu 0.104373 0.538358 0.5 64 63.546 0.016846 -3.53592 63.546000 Cu 0.202612 0.520488 1.09624e-16 31 63.546 5.58651 -3.39881 63.546000 Cu 0.17107 0.537338 0.5 63 63.546 0.337845 -3.51057 63.546000 Cu 0.207156 0.551478 1 65 63.546 0.530951 -3.48509 63.546000 Cu 0.239463 0.529151 0.5 36 63.546 5.68552 -3.35079 63.546000 Cu 0.272858 0.543233 1.98139e-16 34 63.546 0.258115 -3.49029 63.546000 Cu 0.30225 0.522564 0.5 35 63.546 0.51987 -3.49072 63.546000 Cu 0.308017 0.558312 0.5 40 63.546 0.0655585 -3.51941 63.546000 Cu 0.36927 0.522396 0.5 17 63.546 0.0283914 -3.53462 63.546000 Cu 0.337507 0.539557 1.24377e-16 37 63.546 0.124908 -3.52566 63.546000 Cu 0.373354 0.556265 0.5 39 63.546 0.0267952 -3.53259 63.546000 Cu 0.404301 0.539157 1.60478e-16 15 63.546 0.00999311 -3.53657 63.546000 Cu 0.436207 0.522291 0.5 16 63.546 0.0219152 -3.53808 63.546000 Cu 0.470984 0.538935 8.2638e-17 18 63.546 0.0105511 -3.53803 63.546000 Cu 0.439722 0.555821 0.5 21 63.546 0.00273642 -3.53691 63.546000 Cu 0.569693 0.522055 0.5 6 63.546 0.0215521 -3.53855 63.546000 Cu 0.537709 0.538689 3.47823e-18 5 63.546 0.00979684 -3.53826 63.546000 Cu 0.502999 0.522209 0.5 7 63.546 0.0204134 -3.53906 63.546000 Cu 0.506261 0.555446 0.5 20 63.546 0.00374556 -3.53769 63.546000 Cu 0.57291 0.555016 0.5 11 63.546 0.00619277 -3.5371 63.546000 Cu 0.635948 0.521837 0.5 2 63.546 0.0493628 -3.5321 63.546000 Cu 0.604373 0.538358 9.47518e-18 8 63.546 0.016846 -3.53592 63.546000 Cu 0.639726 0.554209 0.5 10 63.546 0.0331342 -3.53242 63.546000 Cu 0.702612 0.520488 0.5 186 63.546 5.58651 -3.39881 63.546000 Cu 0.67107 0.537338 6.59665e-17 185 63.546 0.337845 -3.51057 63.546000 Cu 0.707156 0.551478 0.5 190 63.546 0.530951 -3.48509 63.546000 Cu 0.739463 0.529151 4.79756e-19 187 63.546 5.68552 -3.35079 63.546000 Cu 0.80225 0.522564 0 134 63.546 0.51987 -3.49072 63.546000 Cu 0.772858 0.543233 0.5 189 63.546 0.258115 -3.49029 63.546000 Cu 0.808017 0.558312 1.52323e-16 191 63.546 0.0655585 -3.51941 63.546000 Cu 0.86927 0.522396 1.47885e-16 137 63.546 0.0283914 -3.53462 63.546000 Cu 0.873354 0.556265 6.23683e-17 138 63.546 0.0267952 -3.53259 63.546000 Cu 0.837507 0.539557 0.5 140 63.546 0.124908 -3.52566 63.546000 Cu 0.904301 0.539157 0.5 139 63.546 0.00999311 -3.53657 63.546000 Cu 0.936207 0.522291 0 92 63.546 0.0219152 -3.53808 63.546000 Cu 0.970984 0.538935 0.5 98 63.546 0.0105511 -3.53803 63.546000 Cu 0.939722 0.555821 1.19939e-19 141 63.546 0.00273642 -3.53691 63.546000 Cu 0.0418034 0.571773 0.5 102 63.546 0.00163964 -3.53734 63.546000 Cu 0.0108354 0.588651 1.39009e-16 145 63.546 0.000538344 -3.53763 63.546000 Cu 0.0775049 0.5879 1.11663e-16 100 63.546 0.00333789 -3.53745 63.546000 Cu 0.108608 0.571017 0.5 101 63.546 0.00880263 -3.53592 63.546000 Cu 0.144444 0.586585 1.05546e-16 103 63.546 0.0255104 -3.53506 63.546000 Cu 0.21158 0.583424 1 66 63.546 0.137512 -3.51998 63.546000 Cu 0.175784 0.569258 0.5 68 63.546 0.142675 -3.52534 63.546000 Cu 0.24294 0.562814 0.5 67 63.546 0.18094 -3.51305 63.546000 Cu 0.246926 0.596618 0.5 72 63.546 0.0354214 -3.52926 63.546000 Cu 0.277397 0.577434 1.69954e-16 69 63.546 0.0485476 -3.53011 63.546000 Cu 0.312469 0.592509 0.5 71 63.546 0.0293515 -3.53378 63.546000 Cu 0.342854 0.574172 2.04496e-16 38 63.546 0.0297507 -3.53166 63.546000 Cu 0.378211 0.590321 0.5 44 63.546 0.0112777 -3.5356 63.546000 Cu 0.408746 0.572865 1 41 63.546 0.00696468 -3.53612 63.546000 Cu 0.475174 0.572319 4.31781e-18 19 63.546 0.00136476 -3.53736 63.546000 Cu 0.444336 0.589331 0.5 43 63.546 0.00166332 -3.53721 63.546000 Cu 0.541803 0.571773 1 22 63.546 0.00163964 -3.53734 63.546000 Cu 0.510835 0.588651 0.5 25 63.546 0.000538344 -3.53763 63.546000 Cu 0.577505 0.5879 0.5 24 63.546 0.00333789 -3.53745 63.546000 Cu 0.608608 0.571017 0 9 63.546 0.00880263 -3.53592 63.546000 Cu 0.644444 0.586585 0.5 12 63.546 0.0255104 -3.53506 63.546000 Cu 0.675784 0.569258 1.20179e-16 242 63.546 0.142675 -3.52534 63.546000 Cu 0.71158 0.583424 0.5 244 63.546 0.137512 -3.51998 63.546000 Cu 0.74294 0.562814 2.87854e-17 188 63.546 0.18094 -3.51305 63.546000 Cu 0.746926 0.596618 1.43327e-16 245 63.546 0.0354214 -3.52926 63.546000 Cu 0.812469 0.592509 3.48543e-16 192 63.546 0.0293515 -3.53378 63.546000 Cu 0.777397 0.577434 0.5 194 63.546 0.0485476 -3.53011 63.546000 Cu 0.842854 0.574172 0.5 193 63.546 0.0297507 -3.53166 63.546000 Cu 0.878211 0.590321 0 195 63.546 0.0112777 -3.5356 63.546000 Cu 0.908746 0.572865 0.5 144 63.546 0.00696468 -3.53612 63.546000 Cu 0.944336 0.589331 1.3817e-16 142 63.546 0.00166332 -3.53721 63.546000 Cu 0.975174 0.572319 0.5 143 63.546 0.00136476 -3.53736 63.546000 Cu 0.0155667 0.621849 1 146 63.546 0.000510252 -3.53829 63.546000 Cu 0.0465066 0.604833 0.5 147 63.546 0.00127898 -3.538 63.546000 Cu 0.0511842 0.637908 0.5 152 63.546 0.00144109 -3.53879 63.546000 Cu 0.0822096 0.620803 3.46624e-17 149 63.546 0.00346662 -3.53845 63.546000 Cu 0.149012 0.619126 1.48125e-16 104 63.546 0.0166187 -3.5373 63.546000 Cu 0.113275 0.603702 0.5 106 63.546 0.00813937 -3.53755 63.546000 Cu 0.117891 0.636478 0.5 151 63.546 0.0063386 -3.53868 63.546000 Cu 0.180262 0.60154 0.5 105 63.546 0.0529792 -3.53359 63.546000 Cu 0.215855 0.615939 1.576e-16 107 63.546 0.0302616 -3.53318 63.546000 Cu 0.184688 0.634122 0.5 110 63.546 0.021966 -3.53701 63.546000 Cu 0.281887 0.611321 7.0764e-18 70 63.546 0.0158291 -3.53506 63.546000 Cu 0.316994 0.62643 0.5 76 63.546 0.0130154 -3.53674 63.546000 Cu 0.251156 0.630049 0.5 109 63.546 0.00879501 -3.53588 63.546000 Cu 0.34756 0.608178 1 73 63.546 0.016938 -3.5363 63.546000 Cu 0.382883 0.624094 0.5 75 63.546 0.00818036 -3.53784 63.546000 Cu 0.413562 0.606558 4.36578e-17 42 63.546 0.00451826 -3.53747 63.546000 Cu 0.4799 0.605644 3.07044e-17 45 63.546 0.000702646 -3.5379 63.546000 Cu 0.484655 0.638967 2.39878e-19 46 63.546 0.00039769 -3.53857 63.546000 Cu 0.449105 0.622796 0.5 48 63.546 0.00125985 -3.53814 63.546000 Cu 0.546507 0.604833 7.14837e-17 23 63.546 0.00127898 -3.538 63.546000 Cu 0.515567 0.621849 0.5 47 63.546 0.000510252 -3.53829 63.546000 Cu 0.551184 0.637908 3.5382e-17 49 63.546 0.00144109 -3.53879 63.546000 Cu 0.58221 0.620803 0.5 29 63.546 0.00346662 -3.53845 63.546000 Cu 0.613275 0.603702 2.59068e-17 26 63.546 0.00813937 -3.53755 63.546000 Cu 0.617891 0.636478 2.08694e-17 27 63.546 0.0063386 -3.53868 63.546000 Cu 0.649012 0.619126 0.5 28 63.546 0.0166187 -3.5373 63.546000 Cu 0.680262 0.60154 1 243 63.546 0.0529792 -3.53359 63.546000 Cu 0.715855 0.615939 0.5 248 63.546 0.0302616 -3.53318 63.546000 Cu 0.684688 0.634122 1 296 63.546 0.021966 -3.53701 63.546000 Cu 0.751156 0.630049 0 246 63.546 0.00879501 -3.53588 63.546000 Cu 0.781887 0.611321 0.5 247 63.546 0.0158291 -3.53506 63.546000 Cu 0.816994 0.62643 1.582e-16 249 63.546 0.0130154 -3.53674 63.546000 Cu 0.882883 0.624094 1.19939e-19 196 63.546 0.00818036 -3.53784 63.546000 Cu 0.84756 0.608178 0.5 198 63.546 0.016938 -3.5363 63.546000 Cu 0.913562 0.606558 0.5 197 63.546 0.00451826 -3.53747 63.546000 Cu 0.9799 0.605644 0.5 148 63.546 0.000702646 -3.5379 63.546000 Cu 0.949105 0.622796 1 199 63.546 0.00125985 -3.53814 63.546000 Cu 0.984655 0.638967 0.5 201 63.546 0.00039769 -3.53857 63.546000 Cu 0.0201967 0.655061 0 203 63.546 0.000488098 -3.53896 63.546000 Cu 0.0557066 0.671019 0.5 205 63.546 0.0013324 -3.53933 63.546000 Cu 0.0868015 0.653761 1 150 63.546 0.00301061 -3.5392 63.546000 Cu 0.122335 0.66937 0.5 156 63.546 0.00477777 -3.53938 63.546000 Cu 0.153511 0.651854 6.95646e-17 153 63.546 0.0102128 -3.53865 63.546000 Cu 0.220135 0.648767 0 108 63.546 0.00825923 -3.53711 63.546000 Cu 0.188991 0.666915 0.5 155 63.546 0.00939929 -3.53846 63.546000 Cu 0.28625 0.644899 1.34332e-16 111 63.546 0.0065859 -3.53765 63.546000 Cu 0.290556 0.678322 9.31926e-17 112 63.546 0.00346738 -3.53873 63.546000 Cu 0.255372 0.663354 0.5 114 63.546 0.00246695 -3.53793 63.546000 Cu 0.321419 0.660067 0.5 113 63.546 0.00647224 -3.53849 63.546000 Cu 0.352182 0.641961 1 74 63.546 0.0086118 -3.53812 63.546000 Cu 0.387473 0.657694 0.5 80 63.546 0.00586863 -3.53889 63.546000 Cu 0.356627 0.675536 0 115 63.546 0.0050419 -3.53915 63.546000 Cu 0.418273 0.640116 1.24617e-16 77 63.546 0.00395528 -3.53855 63.546000 Cu 0.422806 0.673585 4.5337e-17 78 63.546 0.00322982 -3.5391 63.546000 Cu 0.453727 0.656202 0.5 79 63.546 0.00108931 -3.53884 63.546000 Cu 0.489172 0.672276 1 81 63.546 0.00024363 -3.53907 63.546000 Cu 0.555707 0.671019 7.62812e-17 50 63.546 0.0013324 -3.53933 63.546000 Cu 0.520197 0.655061 0.5 52 63.546 0.000488098 -3.53896 63.546000 Cu 0.586802 0.653761 0.5 51 63.546 0.00301061 -3.5392 63.546000 Cu 0.622335 0.66937 3.77808e-17 53 63.546 0.00477777 -3.53938 63.546000 Cu 0.653511 0.651854 0.5 30 63.546 0.0102128 -3.53865 63.546000 Cu 0.688991 0.666915 1.78109e-16 297 63.546 0.00939929 -3.53846 63.546000 Cu 0.720135 0.648767 0.5 298 63.546 0.00825923 -3.53711 63.546000 Cu 0.78625 0.644899 0.5 252 63.546 0.0065859 -3.53765 63.546000 Cu 0.755372 0.663354 7.00444e-17 299 63.546 0.00246695 -3.53793 63.546000 Cu 0.790556 0.678322 0.5 301 63.546 0.00346738 -3.53873 63.546000 Cu 0.821419 0.660067 1.86025e-16 250 63.546 0.00647224 -3.53849 63.546000 Cu 0.852182 0.641961 0.5 251 63.546 0.0086118 -3.53812 63.546000 Cu 0.887473 0.657694 1.00749e-16 253 63.546 0.00586863 -3.53889 63.546000 Cu 0.856627 0.675536 0.5 256 63.546 0.0050419 -3.53915 63.546000 Cu 0.989172 0.672276 0.5 206 63.546 0.00024363 -3.53907 63.546000 Cu 0.953727 0.656202 0 200 63.546 0.00108931 -3.53884 63.546000 Cu 0.918273 0.640116 0.5 202 63.546 0.00395528 -3.53855 63.546000 Cu 0.922806 0.673585 0.5 255 63.546 0.00322982 -3.5391 63.546000 Cu 0.0246608 0.688278 2.5547e-16 204 63.546 0.00044452 -3.53933 63.546000 Cu 0.0601255 0.704149 0.5 210 63.546 0.00105595 -3.53961 63.546000 Cu 0.0912261 0.686796 2.9433e-16 207 63.546 0.0026663 -3.53962 63.546000 Cu 0.0955465 0.719907 1 208 63.546 0.00253745 -3.53983 63.546000 Cu 0.126676 0.702365 0.5 209 63.546 0.00371248 -3.53976 63.546000 Cu 0.157824 0.684731 6.02094e-17 154 63.546 0.00596641 -3.53934 63.546000 Cu 0.162063 0.717743 1 211 63.546 0.00405625 -3.53962 63.546000 Cu 0.224334 0.681767 1 157 63.546 0.00277393 -3.53844 63.546000 Cu 0.228493 0.714842 1.38889e-16 158 63.546 0.00096465 -3.53886 63.546000 Cu 0.193199 0.699863 0.5 160 63.546 0.00446902 -3.53912 63.546000 Cu 0.259585 0.696595 0.5 159 63.546 0.000955649 -3.53872 63.546000 Cu 0.294785 0.711635 1 161 63.546 0.00225695 -3.53916 63.546000 Cu 0.325775 0.693541 0.5 118 63.546 0.00370002 -3.53929 63.546000 Cu 0.360999 0.708959 1 116 63.546 0.00390264 -3.53962 63.546000 Cu 0.391943 0.691185 0.5 117 63.546 0.00416816 -3.5394 63.546000 Cu 0.458234 0.689578 0.5 84 63.546 0.000813213 -3.53922 63.546000 Cu 0.427261 0.707005 5.00146e-17 119 63.546 0.00194089 -3.53947 63.546000 Cu 0.49365 0.705558 0 82 63.546 0.0001289 -3.53937 63.546000 Cu 0.524661 0.688278 0.5 83 63.546 0.00044452 -3.53933 63.546000 Cu 0.560126 0.704149 3.38228e-17 85 63.546 0.00105595 -3.53961 63.546000 Cu 0.626676 0.702365 1 54 63.546 0.00371248 -3.53976 63.546000 Cu 0.591226 0.686796 0.5 56 63.546 0.0026663 -3.53962 63.546000 Cu 0.595546 0.719907 0.5 87 63.546 0.00253745 -3.53983 63.546000 Cu 0.657824 0.684731 0.5 55 63.546 0.00596641 -3.53934 63.546000 Cu 0.662063 0.717743 0.5 57 63.546 0.00405625 -3.53962 63.546000 Cu 0.724334 0.681767 0.5 302 63.546 0.00277393 -3.53844 63.546000 Cu 0.693199 0.699863 1 342 63.546 0.00446902 -3.53912 63.546000 Cu 0.728493 0.714842 0.5 344 63.546 0.00096465 -3.53886 63.546000 Cu 0.759585 0.696595 2.02697e-17 300 63.546 0.000955649 -3.53872 63.546000 Cu 0.794785 0.711635 0.5 306 63.546 0.00225695 -3.53916 63.546000 Cu 0.825775 0.693541 2.49473e-17 303 63.546 0.00370002 -3.53929 63.546000 Cu 0.891943 0.691185 4.14989e-17 254 63.546 0.00416816 -3.5394 63.546000 Cu 0.860999 0.708959 0.5 305 63.546 0.00390264 -3.53962 63.546000 Cu 0.99365 0.705558 0.5 259 63.546 0.0001289 -3.53937 63.546000 Cu 0.958234 0.689578 1 257 63.546 0.000813213 -3.53922 63.546000 Cu 0.927261 0.707005 0.5 260 63.546 0.00194089 -3.53947 63.546000 Cu 0.0290558 0.721497 7.0764e-18 261 63.546 0.00030065 -3.53955 63.546000 Cu 0.0333774 0.754767 1.54362e-16 262 63.546 0.000328218 -3.53955 63.546000 Cu 0.0644247 0.737357 0.5 263 63.546 0.00113041 -3.53972 63.546000 Cu 0.130887 0.735482 0.5 214 63.546 0.00324408 -3.53988 63.546000 Cu 0.0997709 0.753116 1 265 63.546 0.00263503 -3.53986 63.546000 Cu 0.16614 0.750878 1 212 63.546 0.00350543 -3.53968 63.546000 Cu 0.197314 0.732938 0.5 213 63.546 0.00284854 -3.53926 63.546000 Cu 0.232514 0.747961 1 215 63.546 0.000314657 -3.53899 63.546000 Cu 0.298841 0.744857 6.23683e-17 162 63.546 0.00207022 -3.53935 63.546000 Cu 0.263674 0.729788 0.5 164 63.546 0.000496577 -3.53894 63.546000 Cu 0.329949 0.726858 0.5 163 63.546 0.00310662 -3.53959 63.546000 Cu 0.396247 0.724575 0.5 122 63.546 0.00279419 -3.53973 63.546000 Cu 0.365183 0.742274 2.81857e-17 165 63.546 0.00314775 -3.53985 63.546000 Cu 0.400531 0.757863 0.5 167 63.546 0.00237472 -3.53986 63.546000 Cu 0.431575 0.740341 0 120 63.546 0.00133321 -3.53967 63.546000 Cu 0.462614 0.722905 0.5 121 63.546 0.00052301 -3.5395 63.546000 Cu 0.466952 0.756214 0.5 126 63.546 0.000285516 -3.53956 63.546000 Cu 0.497976 0.738835 1.62637e-16 123 63.546 4.60642e-05 -3.5395 63.546000 Cu 0.564425 0.737357 5.07342e-17 86 63.546 0.00113041 -3.53972 63.546000 Cu 0.529056 0.721497 0.5 88 63.546 0.00030065 -3.53955 63.546000 Cu 0.533377 0.754767 0.5 125 63.546 0.000328218 -3.53955 63.546000 Cu 0.630887 0.735482 1.93102e-17 89 63.546 0.00324408 -3.53988 63.546000 Cu 0.599771 0.753116 0.5 91 63.546 0.00263503 -3.53986 63.546000 Cu 0.66614 0.750878 0.5 380 63.546 0.00350543 -3.53968 63.546000 Cu 0.697314 0.732938 8.39573e-18 343 63.546 0.00284854 -3.53926 63.546000 Cu 0.732514 0.747961 0.5 348 63.546 0.000314657 -3.53899 63.546000 Cu 0.763674 0.729788 0 345 63.546 0.000496577 -3.53894 63.546000 Cu 0.798841 0.744857 0.5 347 63.546 0.00207022 -3.53935 63.546000 Cu 0.829949 0.726858 7.73607e-17 304 63.546 0.00310662 -3.53959 63.546000 Cu 0.896247 0.724575 2.25246e-16 307 63.546 0.00279419 -3.53973 63.546000 Cu 0.900531 0.757863 1 308 63.546 0.00237472 -3.53986 63.546000 Cu 0.865183 0.742274 0.5 310 63.546 0.00314775 -3.53985 63.546000 Cu 0.997976 0.738835 0.5 264 63.546 4.60642e-05 -3.5395 63.546000 Cu 0.962614 0.722905 2.41077e-17 258 63.546 0.00052301 -3.5395 63.546000 Cu 0.931575 0.740341 0.5 309 63.546 0.00133321 -3.53967 63.546000 Cu 0.966952 0.756214 8.6476e-17 311 63.546 0.000285516 -3.53956 63.546000 Cu 0.0687232 0.770642 0.5 268 63.546 0.00153283 -3.53967 63.546000 Cu 0.00232721 0.77213 0.5 313 63.546 1.85987e-05 -3.53947 63.546000 Cu 0.0376949 0.788072 7.0764e-18 315 63.546 0.000580058 -3.53943 63.546000 Cu 0.104067 0.7864 0 266 63.546 0.00300442 -3.53974 63.546000 Cu 0.135065 0.768696 0.5 267 63.546 0.00342783 -3.53985 63.546000 Cu 0.201392 0.766066 0.5 218 63.546 0.00185181 -3.53933 63.546000 Cu 0.170354 0.78409 7.93996e-17 269 63.546 0.00334419 -3.53959 63.546000 Cu 0.205577 0.799288 0.5 271 63.546 0.00206136 -3.53916 63.546000 Cu 0.23663 0.781115 1 216 63.546 0.000241986 -3.53903 63.546000 Cu 0.267719 0.762941 0.5 217 63.546 0.00064856 -3.53909 63.546000 Cu 0.302998 0.778003 1 219 63.546 0.00253137 -3.53938 63.546000 Cu 0.271881 0.79607 0.5 222 63.546 0.00108282 -3.53898 63.546000 Cu 0.36946 0.775471 9.65509e-17 166 63.546 0.00332062 -3.53988 63.546000 Cu 0.334104 0.760083 0.5 168 63.546 0.00297413 -3.53973 63.546000 Cu 0.338323 0.793193 0.5 221 63.546 0.00385585 -3.53964 63.546000 Cu 0.404822 0.791049 0.5 172 63.546 0.0024214 -3.53981 63.546000 Cu 0.4359 0.773608 1 169 63.546 0.00109432 -3.53971 63.546000 Cu 0.471276 0.789471 0.5 171 63.546 0.000379418 -3.53948 63.546000 Cu 0.502327 0.77213 1 124 63.546 1.85987e-05 -3.53947 63.546000 Cu 0.568723 0.770642 1 127 63.546 0.00153283 -3.53967 63.546000 Cu 0.537695 0.788072 0.5 130 63.546 0.000580058 -3.53943 63.546000 Cu 0.635065 0.768696 1.15861e-16 90 63.546 0.00342783 -3.53985 63.546000 Cu 0.604067 0.7864 0.5 129 63.546 0.00300442 -3.53974 63.546000 Cu 0.701392 0.766066 0 381 63.546 0.00185181 -3.53933 63.546000 Cu 0.705577 0.799288 1.03867e-16 382 63.546 0.00206136 -3.53916 63.546000 Cu 0.670354 0.78409 0.5 384 63.546 0.00334419 -3.53959 63.546000 Cu 0.73663 0.781115 0.5 383 63.546 0.000241986 -3.53903 63.546000 Cu 0.767719 0.762941 1.19939e-19 346 63.546 0.00064856 -3.53909 63.546000 Cu 0.802998 0.778003 0.5 352 63.546 0.00253137 -3.53938 63.546000 Cu 0.771881 0.79607 7.77205e-17 385 63.546 0.00108282 -3.53898 63.546000 Cu 0.834104 0.760083 7.10039e-17 349 63.546 0.00297413 -3.53973 63.546000 Cu 0.838323 0.793193 1.43807e-16 350 63.546 0.00385585 -3.53964 63.546000 Cu 0.86946 0.775471 0.5 351 63.546 0.00332062 -3.53988 63.546000 Cu 0.904822 0.791049 2.13491e-17 353 63.546 0.0024214 -3.53981 63.546000 Cu 0.971276 0.789471 1.3865e-16 312 63.546 0.000379418 -3.53948 63.546000 Cu 0.9359 0.773608 0.5 314 63.546 0.00109432 -3.53971 63.546000 Cu 0.0421736 0.821435 6.87251e-17 316 63.546 0.000911076 -3.53917 63.546000 Cu 0.00670699 0.805438 0.5 318 63.546 0.000159071 -3.53924 63.546000 Cu 0.0112613 0.838774 0.5 359 63.546 0.000373245 -3.53903 63.546000 Cu 0.0730869 0.803975 0.5 317 63.546 0.0019504 -3.53945 63.546000 Cu 0.0775715 0.837402 0.5 322 63.546 0.00278544 -3.53911 63.546000 Cu 0.139358 0.801996 0.5 272 63.546 0.00379273 -3.53964 63.546000 Cu 0.108438 0.819784 1 319 63.546 0.00379922 -3.53943 63.546000 Cu 0.143743 0.835426 0.5 321 63.546 0.00539466 -3.53916 63.546000 Cu 0.174602 0.81742 1 270 63.546 0.00451397 -3.53927 63.546000 Cu 0.209845 0.832586 0.5 276 63.546 0.00298601 -3.53872 63.546000 Cu 0.240812 0.814298 1.19939e-19 273 63.546 0.000586299 -3.53876 63.546000 Cu 0.307193 0.81105 2.03057e-16 220 63.546 0.00435118 -3.53914 63.546000 Cu 0.27609 0.829135 0.5 275 63.546 0.00269569 -3.53848 63.546000 Cu 0.37373 0.80855 1.62158e-16 223 63.546 0.00453595 -3.53972 63.546000 Cu 0.342632 0.826172 0.5 226 63.546 0.00669697 -3.53931 63.546000 Cu 0.409224 0.824165 0.5 225 63.546 0.00272463 -3.53956 63.546000 Cu 0.440249 0.806817 1 170 63.546 0.00112795 -3.53953 63.546000 Cu 0.475765 0.822747 0.5 176 63.546 0.000247847 -3.53919 63.546000 Cu 0.506707 0.805438 1.1898e-16 173 63.546 0.000159071 -3.53924 63.546000 Cu 0.511261 0.838774 0 174 63.546 0.000373245 -3.53903 63.546000 Cu 0.542174 0.821435 0.5 175 63.546 0.000911076 -3.53917 63.546000 Cu 0.573087 0.803975 7.0764e-18 128 63.546 0.0019504 -3.53945 63.546000 Cu 0.577571 0.837402 0 177 63.546 0.00278544 -3.53911 63.546000 Cu 0.639358 0.801996 1.29054e-16 131 63.546 0.00379273 -3.53964 63.546000 Cu 0.643743 0.835426 8.83951e-17 132 63.546 0.00539466 -3.53916 63.546000 Cu 0.608438 0.819784 0.5 133 63.546 0.00379922 -3.53943 63.546000 Cu 0.674602 0.81742 0.5 412 63.546 0.00451397 -3.53927 63.546000 Cu 0.709845 0.832586 1.04827e-16 413 63.546 0.00298601 -3.53872 63.546000 Cu 0.740812 0.814298 0.5 388 63.546 0.000586299 -3.53876 63.546000 Cu 0.77609 0.829135 1.1838e-16 386 63.546 0.00269569 -3.53848 63.546000 Cu 0.807193 0.81105 0.5 387 63.546 0.00435118 -3.53914 63.546000 Cu 0.87373 0.80855 0.5 356 63.546 0.00453595 -3.53972 63.546000 Cu 0.842632 0.826172 8.19184e-17 389 63.546 0.00669697 -3.53931 63.546000 Cu 0.909224 0.824165 4.59367e-17 354 63.546 0.00272463 -3.53956 63.546000 Cu 0.940249 0.806817 0.5 355 63.546 0.00112795 -3.53953 63.546000 Cu 0.975765 0.822747 4.04314e-16 357 63.546 0.000247847 -3.53919 63.546000 Cu 0.0466808 0.854832 2.05576e-16 361 63.546 0.00130212 -3.53886 63.546000 Cu 0.0157496 0.872103 0.5 364 63.546 0.00062172 -3.53863 63.546000 Cu 0.0821021 0.870893 0.5 363 63.546 0.00376039 -3.53855 63.546000 Cu 0.112916 0.853264 6.8845e-17 320 63.546 0.00505965 -3.53885 63.546000 Cu 0.148191 0.86899 0.5 326 63.546 0.00876306 -3.53812 63.546000 Cu 0.178984 0.850863 1.19939e-19 323 63.546 0.00690088 -3.53853 63.546000 Cu 0.214135 0.865986 0.5 325 63.546 0.00580913 -3.53756 63.546000 Cu 0.245051 0.847519 0 274 63.546 0.0019447 -3.53794 63.546000 Cu 0.311466 0.843979 1.1802e-16 277 63.546 0.00952966 -3.53844 63.546000 Cu 0.315712 0.876766 9.58313e-17 278 63.546 0.0220586 -3.53691 63.546000 Cu 0.280295 0.862113 0.5 280 63.546 0.0083924 -3.53698 63.546000 Cu 0.378128 0.841556 0 224 63.546 0.00571783 -3.53936 63.546000 Cu 0.346949 0.859052 0.5 279 63.546 0.0111016 -3.53859 63.546000 Cu 0.382513 0.874456 1.02308e-16 281 63.546 0.0074101 -3.53871 63.546000 Cu 0.413677 0.857228 0.5 230 63.546 0.00284467 -3.53919 63.546000 Cu 0.44476 0.840004 4.92949e-17 227 63.546 0.00100764 -3.53925 63.546000 Cu 0.449223 0.87313 1.19939e-19 228 63.546 0.00103786 -3.53882 63.546000 Cu 0.480257 0.856004 0.5 229 63.546 0.000311859 -3.53895 63.546000 Cu 0.546681 0.854832 0.5 180 63.546 0.00130212 -3.53886 63.546000 Cu 0.51575 0.872103 1 231 63.546 0.00062172 -3.53863 63.546000 Cu 0.582102 0.870893 2.81857e-17 178 63.546 0.00376039 -3.53855 63.546000 Cu 0.612916 0.853264 0.5 179 63.546 0.00505965 -3.53885 63.546000 Cu 0.648191 0.86899 1.19939e-19 181 63.546 0.00876306 -3.53812 63.546000 Cu 0.714135 0.865986 2.39878e-19 414 63.546 0.00580913 -3.53756 63.546000 Cu 0.678984 0.850863 0.5 416 63.546 0.00690088 -3.53853 63.546000 Cu 0.745051 0.847519 0.5 415 63.546 0.0019447 -3.53794 63.546000 Cu 0.811466 0.843979 0.5 392 63.546 0.00952966 -3.53844 63.546000 Cu 0.780295 0.862113 6.15287e-17 417 63.546 0.0083924 -3.53698 63.546000 Cu 0.815712 0.876766 0.5 419 63.546 0.0220586 -3.53691 63.546000 Cu 0.846949 0.859052 1.19939e-19 390 63.546 0.0111016 -3.53859 63.546000 Cu 0.878128 0.841556 0.5 391 63.546 0.00571783 -3.53936 63.546000 Cu 0.882513 0.874456 0.5 396 63.546 0.0074101 -3.53871 63.546000 Cu 0.913677 0.857228 1 393 63.546 0.00284467 -3.53919 63.546000 Cu 0.980257 0.856004 1.33852e-16 358 63.546 0.000311859 -3.53895 63.546000 Cu 0.94476 0.840004 0.5 360 63.546 0.00100764 -3.53925 63.546000 Cu 0.949223 0.87313 0.5 395 63.546 0.00103786 -3.53882 63.546000 Cu 0.0512458 0.888281 6.62063e-17 362 63.546 0.0018223 -3.53827 63.546000 Cu 0.0203252 0.90546 0.5 399 63.546 0.00087446 -3.53806 63.546000 Cu 0.117436 0.886907 1.26416e-16 365 63.546 0.00836214 -3.53777 63.546000 Cu 0.0866555 0.904498 0.5 368 63.546 0.00479342 -3.53761 63.546000 Cu 0.152665 0.90278 0.5 367 63.546 0.0167278 -3.53633 63.546000 Cu 0.183319 0.88448 1 324 63.546 0.0123358 -3.53665 63.546000 Cu 0.21835 0.899545 0.5 330 63.546 0.0144778 -3.53468 63.546000 Cu 0.187662 0.9184 7.0764e-18 369 63.546 0.0279441 -3.53354 63.546000 Cu 0.249206 0.880813 1.72712e-16 327 63.546 0.007928 -3.53563 63.546000 Cu 0.253188 0.914225 7.32828e-17 328 63.546 0.0329776 -3.52892 63.546000 Cu 0.284414 0.894919 0.5 329 63.546 0.0317206 -3.5328 63.546000 Cu 0.319907 0.909351 7.868e-17 331 63.546 0.0533724 -3.53344 63.546000 Cu 0.386918 0.907256 2.29323e-16 282 63.546 0.00882741 -3.53763 63.546000 Cu 0.351296 0.891772 0.5 284 63.546 0.018645 -3.53725 63.546000 Cu 0.484791 0.88922 0.5 234 63.546 0.000516216 -3.53843 63.546000 Cu 0.41813 0.890212 0.5 283 63.546 0.00285486 -3.53852 63.546000 Cu 0.453729 0.90623 2.59068e-16 285 63.546 0.00105404 -3.53814 63.546000 Cu 0.520325 0.90546 1.31693e-16 232 63.546 0.00087446 -3.53806 63.546000 Cu 0.551246 0.888281 0.5 233 63.546 0.0018223 -3.53827 63.546000 Cu 0.617436 0.886907 0.5 183 63.546 0.00836214 -3.53777 63.546000 Cu 0.586655 0.904498 8.87549e-18 235 63.546 0.00479342 -3.53761 63.546000 Cu 0.652665 0.90278 1.19939e-19 182 63.546 0.0167278 -3.53633 63.546000 Cu 0.683319 0.88448 0.5 434 63.546 0.0123358 -3.53665 63.546000 Cu 0.71835 0.899545 1.13942e-16 435 63.546 0.0144778 -3.53468 63.546000 Cu 0.687662 0.9184 0.5 438 63.546 0.0279441 -3.53354 63.546000 Cu 0.749206 0.880813 0.5 420 63.546 0.007928 -3.53563 63.546000 Cu 0.784414 0.894919 1.27255e-16 418 63.546 0.0317206 -3.5328 63.546000 Cu 0.753188 0.914225 0.5 437 63.546 0.0329776 -3.52892 63.546000 Cu 0.819907 0.909351 0.5 424 63.546 0.0533724 -3.53344 63.546000 Cu 0.851296 0.891772 1.30734e-17 421 63.546 0.018645 -3.53725 63.546000 Cu 0.886918 0.907256 0.5 423 63.546 0.00882741 -3.53763 63.546000 Cu 0.91813 0.890212 7.0764e-18 394 63.546 0.00285486 -3.53852 63.546000 Cu 0.984791 0.88922 5.75707e-17 397 63.546 0.000516216 -3.53843 63.546000 Cu 0.953729 0.90623 0.5 400 63.546 0.00105404 -3.53814 63.546000 Cu 0.0558084 0.921785 1 401 63.546 0.00221866 -3.53749 63.546000 Cu 0.060262 0.955315 3.56219e-17 402 63.546 0.00231328 -3.53705 63.546000 Cu 0.0248498 0.938819 0.5 404 63.546 0.000966258 -3.53752 63.546000 Cu 0.121936 0.920699 1 366 63.546 0.0114797 -3.53581 63.546000 Cu 0.0912634 0.938219 0.5 403 63.546 0.00708837 -3.53641 63.546000 Cu 0.126654 0.954752 1.19939e-19 405 63.546 0.02622 -3.5327 63.546000 Cu 0.157162 0.936789 0.5 372 63.546 0.0289942 -3.53167 63.546000 Cu 0.191973 0.952592 1.19939e-19 370 63.546 0.0653805 -3.5191 63.546000 Cu 0.222605 0.933443 0.5 371 63.546 0.0458888 -3.5297 63.546000 Cu 0.28848 0.927448 0.5 334 63.546 0.13804 -3.51977 63.546000 Cu 0.257045 0.948015 1 373 63.546 0.169346 -3.51302 63.546000 Cu 0.32418 0.941647 1.19939e-19 332 63.546 0.142836 -3.52589 63.546000 Cu 0.292777 0.959384 0.5 375 63.546 0.538892 -3.48552 63.546000 Cu 0.355629 0.92434 0.5 333 63.546 0.0273078 -3.5352 63.546000 Cu 0.391382 0.939963 8.37174e-17 335 63.546 0.00903613 -3.5359 63.546000 Cu 0.360228 0.956737 0.5 338 63.546 0.0332239 -3.53256 63.546000 Cu 0.458244 0.939306 1.19939e-19 286 63.546 0.00140856 -3.53741 63.546000 Cu 0.422619 0.923139 0.5 288 63.546 0.00276541 -3.53751 63.546000 Cu 0.42705 0.956039 0.5 337 63.546 0.00465909 -3.53697 63.546000 Cu 0.489326 0.922447 0.5 287 63.546 0.000616177 -3.53777 63.546000 Cu 0.493735 0.955683 0.5 292 63.546 0.00292211 -3.53763 63.546000 Cu 0.555808 0.921785 0.5 238 63.546 0.00221866 -3.53749 63.546000 Cu 0.52485 0.938819 1 289 63.546 0.000966258 -3.53752 63.546000 Cu 0.560262 0.955315 0.5 291 63.546 0.00231328 -3.53705 63.546000 Cu 0.621936 0.920699 0.5 237 63.546 0.0114797 -3.53581 63.546000 Cu 0.591263 0.938219 1 236 63.546 0.00708837 -3.53641 63.546000 Cu 0.626654 0.954752 0.5 241 63.546 0.02622 -3.5327 63.546000 Cu 0.657162 0.936789 0 239 63.546 0.0289942 -3.53167 63.546000 Cu 0.722605 0.933443 1.46685e-16 436 63.546 0.0458888 -3.5297 63.546000 Cu 0.691973 0.952592 0.5 448 63.546 0.0653805 -3.5191 63.546000 Cu 0.78848 0.927448 1 439 63.546 0.13804 -3.51977 63.546000 Cu 0.757045 0.948015 0.5 442 63.546 0.169346 -3.51302 63.546000 Cu 0.82418 0.941647 0.5 441 63.546 0.142836 -3.52589 63.546000 Cu 0.792777 0.959384 1 440 63.546 0.538892 -3.48552 63.546000 Cu 0.855629 0.92434 4.47373e-17 422 63.546 0.0273078 -3.5352 63.546000 Cu 0.891382 0.939963 0.5 428 63.546 0.00903613 -3.5359 63.546000 Cu 0.860228 0.956737 7.53217e-17 443 63.546 0.0332239 -3.53256 63.546000 Cu 0.989326 0.922447 1 398 63.546 0.000616177 -3.53777 63.546000 Cu 0.993735 0.955683 1.06026e-16 429 63.546 0.00292211 -3.53763 63.546000 Cu 0.922619 0.923139 1.78709e-16 425 63.546 0.00276541 -3.53751 63.546000 Cu 0.92705 0.956039 3.79007e-17 426 63.546 0.00465909 -3.53697 63.546000 Cu 0.958244 0.939306 0.5 427 63.546 0.00140856 -3.53741 63.546000 Cu 0.0290042 0.972208 0.5 431 63.546 0.0096458 -3.53799 63.546000 Cu 0.0638125 0.988857 0 433 63.546 0.0215756 -3.538 63.546000 Cu 0.130771 0.988651 0 406 63.546 0.0274905 -3.53436 63.546000 Cu 0.095696 0.971931 0.5 408 63.546 0.00934466 -3.53664 63.546000 Cu 0.162501 0.971417 0.5 407 63.546 0.124061 -3.52541 63.546000 Cu 0.227099 0.967631 0.5 376 63.546 0.25575 -3.48989 63.546000 Cu 0.197807 0.988367 1 409 63.546 0.522192 -3.49051 63.546000 Cu 0.260579 0.981665 1.19939e-19 374 63.546 5.65657 -3.35178 63.546000 Cu 0.297368 0.990387 0.5 379 63.546 5.58406 -3.39997 63.546000 Cu 0.328884 0.973606 2.63866e-18 377 63.546 0.32758 -3.51152 63.546000 Cu 0.395603 0.972632 1 336 63.546 0.0168038 -3.53567 63.546000 Cu 0.364069 0.989117 0.5 378 63.546 0.0504788 -3.53204 63.546000 Cu 0.462283 0.972409 6.52468e-17 339 63.546 0.00885035 -3.53809 63.546000 Cu 0.430347 0.989013 0.5 341 63.546 0.0220769 -3.53842 63.546000 Cu 0.497008 0.98893 0.5 340 63.546 0.0191774 -3.53898 63.546000 Cu 0.529004 0.972208 5.87701e-18 290 63.546 0.0096458 -3.53799 63.546000 Cu 0.563813 0.988857 0.5 295 63.546 0.0215756 -3.538 63.546000 Cu 0.595696 0.971931 1 293 63.546 0.00934466 -3.53664 63.546000 Cu 0.630771 0.988651 0.5 294 63.546 0.0274905 -3.53436 63.546000 Cu 0.662501 0.971417 7.0764e-18 240 63.546 0.124061 -3.52541 63.546000 Cu 0.727099 0.967631 7.0764e-18 449 63.546 0.25575 -3.48989 63.546000 Cu 0.697807 0.988367 0.5 452 63.546 0.522192 -3.49051 63.546000 Cu 0.760579 0.981665 0.5 451 63.546 5.65657 -3.35178 63.546000 Cu 0.797368 0.990387 1 453 63.546 5.58406 -3.39997 63.546000 Cu 0.828884 0.973606 0.5 446 63.546 0.32758 -3.51152 63.546000 Cu 0.864069 0.989117 7.0764e-18 444 63.546 0.0504788 -3.53204 63.546000 Cu 0.895603 0.972632 0.5 445 63.546 0.0168038 -3.53567 63.546000 Cu 0.997008 0.98893 3.65814e-17 430 63.546 0.0191774 -3.53898 63.546000 Cu 0.962283 0.972409 0.5 432 63.546 0.00885035 -3.53809 63.546000 Cu 0.930347 0.989013 4.38977e-17 447 63.546 0.0220769 -3.53842