Number of particles = 796 A = 1 Angstrom (basic length-scale) H0(1,1) = 25.4372 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 102.039 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61625 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 0.0765136 0.01219 1 406 63.546 0.449914 -3.40095 63.546000 Cu 0.00524212 0.0128103 0.5 407 63.546 0.19532 -3.50319 63.546000 Cu 0.225145 0.00638901 1 408 63.546 9.15432 -3.0528 63.546000 Cu 0.154975 0.00954165 0.5 409 63.546 4.31012 -3.34199 63.546000 Cu 0.0138141 0.0303298 0 416 63.546 0.195127 -3.50873 63.546000 Cu 0.0979869 0.044912 1 417 63.546 0.0312853 -3.54566 63.546000 Cu 0.0876493 0.0281814 0.5 418 63.546 0.0648762 -3.52479 63.546000 Cu 0.0263638 0.0475016 0.5 419 63.546 0.0452514 -3.54325 63.546000 Cu 0.161287 0.0257901 1 420 63.546 0.0568068 -3.47269 63.546000 Cu 0.24442 0.0392818 1 421 63.546 0.107324 -3.53713 63.546000 Cu 0.237483 0.0223391 0.5 422 63.546 1.02071 -3.35815 63.546000 Cu 0.171713 0.0421259 0.5 423 63.546 0.040089 -3.54326 63.546000 Cu 0.180927 0.0592461 1 448 63.546 0.0327623 -3.56368 63.546000 Cu 0.109593 0.0619674 0.5 446 63.546 0.0192553 -3.55709 63.546000 Cu 0.305853 0.0177192 1 424 63.546 0.956943 -3.32571 63.546000 Cu 0.379917 0.034026 2.39851e-19 425 63.546 0.0663751 -3.43849 63.546000 Cu 0.367118 0.0140926 0.5 426 63.546 0.511881 -3.46304 63.546000 Cu 0.314631 0.0366385 0.5 427 63.546 0.2063 -3.46095 63.546000 Cu 0.435073 0.01332 1 428 63.546 0.234433 -3.53723 63.546000 Cu 0.444766 0.0318373 0.5 431 63.546 0.149654 -3.50384 63.546000 Cu 0.251955 0.0568202 0.5 450 63.546 0.0204038 -3.55015 63.546000 Cu 0.321676 0.054706 2.19224e-16 452 63.546 0.0202539 -3.51359 63.546000 Cu 0.389935 0.0525873 0.5 454 63.546 0.059469 -3.47872 63.546000 Cu 0.457195 0.0501544 1 456 63.546 0.0512673 -3.49668 63.546000 Cu 0.513814 0.0303298 1 429 63.546 0.195127 -3.50873 63.546000 Cu 0.505242 0.0128103 0.5 430 63.546 0.19532 -3.50319 63.546000 Cu 0.576514 0.01219 1 432 63.546 0.449914 -3.40095 63.546000 Cu 0.661287 0.0257901 1 433 63.546 0.0568068 -3.47269 63.546000 Cu 0.654975 0.00954165 0.5 434 63.546 4.31012 -3.34199 63.546000 Cu 0.587649 0.0281814 0.5 435 63.546 0.0648762 -3.52479 63.546000 Cu 0.725145 0.00638901 1 436 63.546 9.15432 -3.0528 63.546000 Cu 0.737483 0.0223391 0.5 439 63.546 1.02071 -3.35815 63.546000 Cu 0.526364 0.0475016 0.5 458 63.546 0.0452514 -3.54325 63.546000 Cu 0.597987 0.044912 1 460 63.546 0.0312853 -3.54566 63.546000 Cu 0.680927 0.0592461 1 461 63.546 0.0327623 -3.56368 63.546000 Cu 0.671713 0.0421259 0.5 462 63.546 0.040089 -3.54326 63.546000 Cu 0.74442 0.0392818 0 464 63.546 0.107324 -3.53713 63.546000 Cu 0.609593 0.0619674 0.5 463 63.546 0.0192553 -3.55709 63.546000 Cu 0.935073 0.01332 1 404 63.546 0.234433 -3.53723 63.546000 Cu 0.867118 0.0140926 0.5 405 63.546 0.511881 -3.46304 63.546000 Cu 0.879917 0.034026 1 412 63.546 0.0663751 -3.43849 63.546000 Cu 0.957195 0.0501544 0 413 63.546 0.0512673 -3.49668 63.546000 Cu 0.944766 0.0318373 0.5 414 63.546 0.149654 -3.50384 63.546000 Cu 0.889935 0.0525873 0.5 415 63.546 0.059469 -3.47872 63.546000 Cu 0.805853 0.0177192 1 437 63.546 0.956943 -3.32571 63.546000 Cu 0.821676 0.054706 1 465 63.546 0.0202539 -3.51359 63.546000 Cu 0.814631 0.0366385 0.5 466 63.546 0.2063 -3.46095 63.546000 Cu 0.751955 0.0568202 0.5 467 63.546 0.0204038 -3.55015 63.546000 Cu 0.0388659 0.0648858 1 444 63.546 0.00349145 -3.53609 63.546000 Cu 0.120449 0.0794546 1 445 63.546 0.00960986 -3.54782 63.546000 Cu 0.0503313 0.0822775 0.5 447 63.546 0.00452497 -3.53594 63.546000 Cu 0.190373 0.0768611 0.5 451 63.546 0.0106701 -3.55113 63.546000 Cu 0.000300767 0.119853 4.98891e-17 470 63.546 0.0011422 -3.53988 63.546000 Cu 0.0606612 0.0997492 2.15866e-18 473 63.546 0.00400663 -3.5382 63.546000 Cu 0.140299 0.114812 0 474 63.546 0.000656249 -3.5339 63.546000 Cu 0.130561 0.0971284 0.5 475 63.546 0.00336867 -3.5386 63.546000 Cu 0.0704856 0.117296 0.5 476 63.546 0.00162278 -3.53765 63.546000 Cu 0.200032 0.0946476 0 477 63.546 0.00115511 -3.53758 63.546000 Cu 0.209845 0.112396 0.5 480 63.546 0.000657239 -3.53104 63.546000 Cu 0.260164 0.0745741 1.42951e-16 449 63.546 0.00440078 -3.5415 63.546000 Cu 0.399418 0.0703209 1.7749e-17 453 63.546 0.0238103 -3.50757 63.546000 Cu 0.329792 0.0724893 0.5 455 63.546 0.00693726 -3.5234 63.546000 Cu 0.469091 0.0677687 0.5 459 63.546 0.0179135 -3.51244 63.546000 Cu 0.279373 0.109996 1.32878e-16 478 63.546 0.00240975 -3.52949 63.546000 Cu 0.26943 0.0923379 0.5 479 63.546 0.00291578 -3.53254 63.546000 Cu 0.339128 0.0900845 0 481 63.546 0.0069747 -3.52745 63.546000 Cu 0.419659 0.105045 1.35276e-16 482 63.546 0.000672532 -3.53437 63.546000 Cu 0.409378 0.087711 0.5 483 63.546 0.00546335 -3.52508 63.546000 Cu 0.349274 0.107563 0.5 484 63.546 0.00259053 -3.53158 63.546000 Cu 0.479918 0.0850995 1 485 63.546 0.00334135 -3.52609 63.546000 Cu 0.490244 0.102421 0.5 488 63.546 0.00115799 -3.53673 63.546000 Cu 0.429962 0.122439 0.5 513 63.546 0.000368332 -3.53873 63.546000 Cu 0.538866 0.0648858 1 457 63.546 0.00349145 -3.53609 63.546000 Cu 0.560661 0.0997492 1.70294e-17 486 63.546 0.00400663 -3.5382 63.546000 Cu 0.550331 0.0822775 0.5 487 63.546 0.00452497 -3.53594 63.546000 Cu 0.620449 0.0794546 1 489 63.546 0.00960986 -3.54782 63.546000 Cu 0.700032 0.0946476 5.92433e-17 490 63.546 0.00115511 -3.53758 63.546000 Cu 0.690373 0.0768611 0.5 491 63.546 0.0106701 -3.55113 63.546000 Cu 0.630561 0.0971284 0.5 492 63.546 0.00336867 -3.5386 63.546000 Cu 0.500301 0.119853 2.38172e-16 515 63.546 0.0011422 -3.53988 63.546000 Cu 0.570486 0.117296 0.5 517 63.546 0.00162278 -3.53765 63.546000 Cu 0.640299 0.114812 1.42472e-16 519 63.546 0.000656249 -3.5339 63.546000 Cu 0.709845 0.112396 0.5 521 63.546 0.000657239 -3.53104 63.546000 Cu 0.899418 0.0703209 2.85423e-17 440 63.546 0.0238103 -3.50757 63.546000 Cu 0.979918 0.0850995 0 441 63.546 0.00334135 -3.52609 63.546000 Cu 0.969091 0.0677687 0.5 442 63.546 0.0179135 -3.51244 63.546000 Cu 0.909378 0.087711 0.5 443 63.546 0.00546335 -3.52508 63.546000 Cu 0.919659 0.105045 0 469 63.546 0.000672532 -3.53437 63.546000 Cu 0.990244 0.102421 0.5 471 63.546 0.00115799 -3.53673 63.546000 Cu 0.929962 0.122439 0.5 472 63.546 0.000368332 -3.53873 63.546000 Cu 0.760164 0.0745741 1 493 63.546 0.00440078 -3.5415 63.546000 Cu 0.839128 0.0900845 1 494 63.546 0.0069747 -3.52745 63.546000 Cu 0.829792 0.0724893 0.5 495 63.546 0.00693726 -3.5234 63.546000 Cu 0.76943 0.0923379 0.5 496 63.546 0.00291578 -3.53254 63.546000 Cu 0.779373 0.109996 5.13282e-17 523 63.546 0.00240975 -3.52949 63.546000 Cu 0.849274 0.107563 0.5 524 63.546 0.00259053 -3.53158 63.546000 Cu 0.0201844 0.154934 8.29886e-17 500 63.546 0.000201066 -3.53619 63.546000 Cu 0.0102622 0.13737 0.5 501 63.546 0.00068194 -3.53831 63.546000 Cu 0.0802019 0.134886 1.18247e-16 503 63.546 0.000293706 -3.53541 63.546000 Cu 0.159867 0.150035 1.70055e-16 504 63.546 0.000338076 -3.53232 63.546000 Cu 0.149987 0.132454 0.5 505 63.546 0.000218854 -3.53215 63.546000 Cu 0.0900406 0.152478 0.5 506 63.546 4.64302e-05 -3.53399 63.546000 Cu 0.219743 0.130023 1.49907e-16 507 63.546 0.000917274 -3.53028 63.546000 Cu 0.229776 0.147562 0.5 510 63.546 0.000409635 -3.53205 63.546000 Cu 0.0300387 0.172496 0.5 530 63.546 1.97782e-05 -3.53517 63.546000 Cu 0.0999717 0.17004 2.11789e-16 532 63.546 0.00010697 -3.53426 63.546000 Cu 0.179938 0.185081 3.07969e-16 533 63.546 0.00012492 -3.5348 63.546000 Cu 0.169921 0.167571 0.5 534 63.546 0.000189395 -3.53419 63.546000 Cu 0.239906 0.165067 9.01841e-17 536 63.546 9.80673e-05 -3.53472 63.546000 Cu 0.299818 0.145044 2.49445e-16 508 63.546 0.000158618 -3.53385 63.546000 Cu 0.289607 0.12755 0.5 509 63.546 0.000945754 -3.53145 63.546000 Cu 0.359677 0.125017 9.76195e-17 511 63.546 0.000334485 -3.53548 63.546000 Cu 0.440152 0.139918 1.14889e-16 512 63.546 0.000347664 -3.53873 63.546000 Cu 0.369975 0.142488 0.5 514 63.546 8.00759e-05 -3.53672 63.546000 Cu 0.320086 0.180029 2.01475e-16 537 63.546 5.19312e-05 -3.53593 63.546000 Cu 0.309954 0.16253 0.5 538 63.546 2.24909e-05 -3.53592 63.546000 Cu 0.250016 0.182567 0.5 539 63.546 8.34488e-05 -3.53526 63.546000 Cu 0.380074 0.159975 2.39851e-19 540 63.546 0.000109342 -3.53692 63.546000 Cu 0.460092 0.174973 2.22822e-16 541 63.546 0.000111385 -3.53611 63.546000 Cu 0.450185 0.157433 0.5 542 63.546 0.000316902 -3.53724 63.546000 Cu 0.390116 0.177488 0.5 543 63.546 0.000124492 -3.53634 63.546000 Cu 0.580202 0.134886 1.38394e-16 516 63.546 0.000293706 -3.53541 63.546000 Cu 0.510262 0.13737 0.5 518 63.546 0.00068194 -3.53831 63.546000 Cu 0.719743 0.130023 8.05901e-17 520 63.546 0.000917274 -3.53028 63.546000 Cu 0.649987 0.132454 0.5 522 63.546 0.000218854 -3.53215 63.546000 Cu 0.520184 0.154934 4.27895e-16 544 63.546 0.000201066 -3.53619 63.546000 Cu 0.599972 0.17004 2.64796e-16 545 63.546 0.00010697 -3.53426 63.546000 Cu 0.590041 0.152478 0.5 546 63.546 4.64302e-05 -3.53399 63.546000 Cu 0.530039 0.172496 0.5 547 63.546 1.97782e-05 -3.53517 63.546000 Cu 0.659867 0.150035 8.03502e-17 548 63.546 0.000338076 -3.53232 63.546000 Cu 0.739906 0.165067 8.3948e-17 549 63.546 9.80673e-05 -3.53472 63.546000 Cu 0.729776 0.147562 0.5 550 63.546 0.000409635 -3.53205 63.546000 Cu 0.669921 0.167571 0.5 551 63.546 0.000189395 -3.53419 63.546000 Cu 0.679938 0.185081 1.27841e-16 576 63.546 0.00012492 -3.5348 63.546000 Cu 0.859677 0.125017 4.79703e-18 468 63.546 0.000334485 -3.53548 63.546000 Cu 0.880074 0.159975 7.19554e-19 497 63.546 0.000109342 -3.53692 63.546000 Cu 0.869975 0.142488 0.5 498 63.546 8.00759e-05 -3.53672 63.546000 Cu 0.940152 0.139918 1.75571e-16 499 63.546 0.000347664 -3.53873 63.546000 Cu 0.950185 0.157433 0.5 502 63.546 0.000316902 -3.53724 63.546000 Cu 0.789607 0.12755 0.5 525 63.546 0.000945754 -3.53145 63.546000 Cu 0.890116 0.177488 0.5 527 63.546 0.000124492 -3.53634 63.546000 Cu 0.960092 0.174973 1.64778e-16 528 63.546 0.000111385 -3.53611 63.546000 Cu 0.799818 0.145044 1.23763e-16 552 63.546 0.000158618 -3.53385 63.546000 Cu 0.809954 0.16253 0.5 553 63.546 2.24909e-05 -3.53592 63.546000 Cu 0.750016 0.182567 0.5 578 63.546 8.34488e-05 -3.53526 63.546000 Cu 0.820086 0.180029 5.34869e-17 580 63.546 5.19312e-05 -3.53593 63.546000 Cu 0.0399374 0.19004 8.75458e-17 529 63.546 5.44831e-05 -3.53449 63.546000 Cu 0.1099 0.187568 0.5 535 63.546 0.000115836 -3.53448 63.546000 Cu 0.0599501 0.225057 1 557 63.546 2.40183e-05 -3.53344 63.546000 Cu 0.0499253 0.207562 0.5 558 63.546 6.56938e-05 -3.53337 63.546000 Cu 0.119893 0.205069 2.9046e-16 560 63.546 8.52558e-05 -3.53352 63.546000 Cu 0.199985 0.220035 8.5627e-17 561 63.546 2.6929e-05 -3.53471 63.546000 Cu 0.189938 0.202562 0.5 562 63.546 3.25414e-05 -3.53372 63.546000 Cu 0.129957 0.222552 0.5 563 63.546 6.00709e-06 -3.53395 63.546000 Cu 0.0699915 0.242542 0.5 588 63.546 6.86932e-06 -3.53412 63.546000 Cu 0.140003 0.240041 2.39851e-19 590 63.546 2.00087e-05 -3.53503 63.546000 Cu 0.210006 0.237533 0.5 592 63.546 1.78154e-05 -3.53594 63.546000 Cu 0.260042 0.200042 2.65516e-16 564 63.546 1.36004e-05 -3.53393 63.546000 Cu 0.340061 0.215015 1.00498e-16 565 63.546 3.87727e-05 -3.53484 63.546000 Cu 0.330121 0.197522 0.5 566 63.546 8.65341e-05 -3.53424 63.546000 Cu 0.270028 0.217519 0.5 567 63.546 5.63026e-05 -3.53512 63.546000 Cu 0.400117 0.19501 3.3963e-16 568 63.546 7.98482e-05 -3.53449 63.546000 Cu 0.48 0.210044 1.91401e-16 569 63.546 2.63882e-05 -3.53352 63.546000 Cu 0.470031 0.192517 0.5 570 63.546 1.83393e-05 -3.53455 63.546000 Cu 0.410055 0.212525 0.5 571 63.546 1.64593e-05 -3.53414 63.546000 Cu 0.280001 0.235024 8.8745e-17 594 63.546 7.35344e-06 -3.53629 63.546000 Cu 0.349992 0.232522 0.5 596 63.546 6.77543e-06 -3.53579 63.546000 Cu 0.419977 0.230032 1.29999e-16 598 63.546 1.5207e-05 -3.53471 63.546000 Cu 0.489962 0.227547 0.5 600 63.546 2.73131e-05 -3.53372 63.546000 Cu 0.429964 0.247527 0.5 601 63.546 1.5783e-05 -3.53407 63.546000 Cu 0.499976 0.245036 5.70846e-17 599 63.546 2.25133e-06 -3.53375 63.546000 Cu 0.539937 0.19004 1 572 63.546 5.44831e-05 -3.53449 63.546000 Cu 0.619893 0.205069 4.00552e-17 573 63.546 8.52558e-05 -3.53352 63.546000 Cu 0.6099 0.187568 0.5 574 63.546 0.000115836 -3.53448 63.546000 Cu 0.549925 0.207562 0.5 575 63.546 6.56938e-05 -3.53337 63.546000 Cu 0.689938 0.202562 0.5 579 63.546 3.25414e-05 -3.53372 63.546000 Cu 0.55995 0.225057 2.49445e-17 602 63.546 2.40183e-05 -3.53344 63.546000 Cu 0.640003 0.240041 8.8745e-17 603 63.546 2.00087e-05 -3.53503 63.546000 Cu 0.629957 0.222552 0.5 604 63.546 6.00709e-06 -3.53395 63.546000 Cu 0.569991 0.242542 0.5 605 63.546 6.86932e-06 -3.53412 63.546000 Cu 0.699985 0.220035 2.9022e-17 606 63.546 2.6929e-05 -3.53471 63.546000 Cu 0.710006 0.237533 0.5 609 63.546 1.78154e-05 -3.53594 63.546000 Cu 0.999976 0.245036 1.63339e-16 586 63.546 2.25133e-06 -3.53375 63.546000 Cu 0.900117 0.19501 6.59591e-17 526 63.546 7.98482e-05 -3.53449 63.546000 Cu 0.970031 0.192517 0.5 531 63.546 1.83393e-05 -3.53455 63.546000 Cu 0.919977 0.230032 3.35792e-17 554 63.546 1.5207e-05 -3.53471 63.546000 Cu 0.910055 0.212525 0.5 555 63.546 1.64593e-05 -3.53414 63.546000 Cu 0.98 0.210044 1 556 63.546 2.63882e-05 -3.53352 63.546000 Cu 0.989962 0.227547 0.5 559 63.546 2.73131e-05 -3.53372 63.546000 Cu 0.760042 0.200042 8.44277e-17 577 63.546 1.36004e-05 -3.53393 63.546000 Cu 0.830121 0.197522 0.5 581 63.546 8.65341e-05 -3.53424 63.546000 Cu 0.929964 0.247527 0.5 584 63.546 1.5783e-05 -3.53407 63.546000 Cu 0.780001 0.235024 1.58302e-16 607 63.546 7.35344e-06 -3.53629 63.546000 Cu 0.770028 0.217519 0.5 608 63.546 5.63026e-05 -3.53512 63.546000 Cu 0.840061 0.215015 1.70055e-16 610 63.546 3.87727e-05 -3.53484 63.546000 Cu 0.849992 0.232522 0.5 611 63.546 6.77543e-06 -3.53579 63.546000 Cu 0.0799976 0.260033 5.20478e-17 587 63.546 2.71226e-05 -3.53415 63.546000 Cu 0.0100104 0.262519 0.5 589 63.546 3.43498e-05 -3.53342 63.546000 Cu 0.219963 0.255041 8.3948e-18 591 63.546 5.52845e-06 -3.53557 63.546000 Cu 0.14998 0.257542 0.5 593 63.546 1.04303e-05 -3.53507 63.546000 Cu 0.0199833 0.280021 1 616 63.546 4.19985e-05 -3.53343 63.546000 Cu 0.0998262 0.295057 2.43689e-16 617 63.546 0.000101076 -3.53483 63.546000 Cu 0.0899202 0.277539 0.5 618 63.546 1.29884e-05 -3.53409 63.546000 Cu 0.0299154 0.29755 0.5 619 63.546 2.46655e-05 -3.53447 63.546000 Cu 0.159901 0.275048 9.59406e-19 620 63.546 2.99916e-05 -3.53493 63.546000 Cu 0.239921 0.290027 6.6199e-17 621 63.546 2.12481e-05 -3.5348 63.546000 Cu 0.22992 0.272542 0.5 622 63.546 4.38826e-05 -3.53527 63.546000 Cu 0.16983 0.292547 0.5 623 63.546 0.000102416 -3.53496 63.546000 Cu 0.179855 0.310039 5.73245e-17 648 63.546 8.27469e-05 -3.53535 63.546000 Cu 0.24996 0.307499 0.5 650 63.546 5.80479e-05 -3.53461 63.546000 Cu 0.359956 0.250026 1 595 63.546 2.4768e-05 -3.53478 63.546000 Cu 0.289956 0.252532 0.5 597 63.546 1.57998e-05 -3.53543 63.546000 Cu 0.299959 0.270027 6.1402e-17 624 63.546 2.18563e-05 -3.53491 63.546000 Cu 0.380077 0.284999 1.86125e-16 625 63.546 7.33008e-05 -3.53382 63.546000 Cu 0.369992 0.267513 0.5 626 63.546 8.50209e-06 -3.53405 63.546000 Cu 0.310024 0.287508 0.5 627 63.546 1.89643e-05 -3.53442 63.546000 Cu 0.44001 0.26501 1 628 63.546 2.14079e-05 -3.53338 63.546000 Cu 0.45005 0.282504 0.5 631 63.546 7.89802e-05 -3.53332 63.546000 Cu 0.320062 0.304985 2.03874e-17 652 63.546 0.000130621 -3.53399 63.546000 Cu 0.390102 0.302498 0.5 654 63.546 0.000179597 -3.5339 63.546000 Cu 0.460038 0.300025 0 656 63.546 7.59756e-05 -3.53403 63.546000 Cu 0.519983 0.280021 1 629 63.546 4.19985e-05 -3.53343 63.546000 Cu 0.51001 0.262519 0.5 630 63.546 3.43498e-05 -3.53342 63.546000 Cu 0.579998 0.260033 8.80255e-17 632 63.546 2.71226e-05 -3.53415 63.546000 Cu 0.659901 0.275048 1 633 63.546 2.99916e-05 -3.53493 63.546000 Cu 0.64998 0.257542 0.5 634 63.546 1.04303e-05 -3.53507 63.546000 Cu 0.58992 0.277539 0.5 635 63.546 1.29884e-05 -3.53409 63.546000 Cu 0.719963 0.255041 1.1345e-16 636 63.546 5.52845e-06 -3.53557 63.546000 Cu 0.72992 0.272542 0.5 639 63.546 4.38826e-05 -3.53527 63.546000 Cu 0.529915 0.29755 0.5 658 63.546 2.46655e-05 -3.53447 63.546000 Cu 0.599826 0.295057 7.19554e-19 660 63.546 0.000101076 -3.53483 63.546000 Cu 0.679855 0.310039 1 661 63.546 8.27469e-05 -3.53535 63.546000 Cu 0.66983 0.292547 0.5 662 63.546 0.000102416 -3.53496 63.546000 Cu 0.739921 0.290027 1 664 63.546 2.12481e-05 -3.5348 63.546000 Cu 0.74996 0.307499 0.5 667 63.546 5.80479e-05 -3.53461 63.546000 Cu 0.859956 0.250026 7.45938e-17 582 63.546 2.4768e-05 -3.53478 63.546000 Cu 0.94001 0.26501 5.25275e-17 583 63.546 2.14079e-05 -3.53338 63.546000 Cu 0.869992 0.267513 0.5 585 63.546 8.50209e-06 -3.53405 63.546000 Cu 0.880077 0.284999 1.52785e-16 612 63.546 7.33008e-05 -3.53382 63.546000 Cu 0.960038 0.300025 1 613 63.546 7.59756e-05 -3.53403 63.546000 Cu 0.95005 0.282504 0.5 614 63.546 7.89802e-05 -3.53332 63.546000 Cu 0.890102 0.302498 0.5 615 63.546 0.000179597 -3.5339 63.546000 Cu 0.799959 0.270027 4.79703e-19 637 63.546 2.18563e-05 -3.53491 63.546000 Cu 0.789956 0.252532 0.5 638 63.546 1.57998e-05 -3.53543 63.546000 Cu 0.820062 0.304985 1.41512e-16 665 63.546 0.000130621 -3.53399 63.546000 Cu 0.810024 0.287508 0.5 666 63.546 1.89643e-05 -3.53442 63.546000 Cu 0.0398511 0.315101 7.53133e-17 644 63.546 0.000146514 -3.5359 63.546000 Cu 0.119877 0.330094 2.0987e-16 645 63.546 0.000131541 -3.53724 63.546000 Cu 0.10982 0.312582 0.5 646 63.546 0.000159459 -3.53602 63.546000 Cu 0.0497747 0.332645 0.5 647 63.546 0.000353515 -3.53749 63.546000 Cu 0.189994 0.327529 0.5 651 63.546 3.15104e-05 -3.53588 63.546000 Cu 0.0597887 0.350167 0 673 63.546 0.000498163 -3.53945 63.546000 Cu 0.140316 0.365051 1.71734e-16 674 63.546 0.000411898 -3.5351 63.546000 Cu 0.130002 0.347588 0.5 675 63.546 9.25777e-05 -3.53742 63.546000 Cu 0.0699883 0.367639 0.5 676 63.546 0.000383535 -3.53878 63.546000 Cu 0.200183 0.345018 3.90958e-17 677 63.546 0.000224409 -3.53451 63.546000 Cu 0.21041 0.362514 0.5 680 63.546 0.00116744 -3.53162 63.546000 Cu 0.260066 0.324985 1.24723e-17 649 63.546 0.000202611 -3.53464 63.546000 Cu 0.400027 0.320028 1 653 63.546 0.000126641 -3.53419 63.546000 Cu 0.330081 0.322486 0.5 655 63.546 0.000318897 -3.53391 63.546000 Cu 0.469943 0.317578 0.5 659 63.546 3.12683e-05 -3.53506 63.546000 Cu 0.28026 0.360045 2.01235e-16 678 63.546 0.0010277 -3.53003 63.546000 Cu 0.270215 0.342496 0.5 679 63.546 0.000546975 -3.53255 63.546000 Cu 0.340103 0.340031 1.65977e-16 681 63.546 0.000366615 -3.53241 63.546000 Cu 0.419726 0.355196 1.95959e-16 682 63.546 0.000323002 -3.53545 63.546000 Cu 0.409912 0.337597 0.5 683 63.546 4.60488e-05 -3.53407 63.546000 Cu 0.34997 0.357622 0.5 684 63.546 0.000230088 -3.53177 63.546000 Cu 0.479781 0.335146 1.27121e-16 685 63.546 0.000215912 -3.53634 63.546000 Cu 0.489657 0.352715 0.5 688 63.546 0.000820768 -3.53878 63.546000 Cu 0.429444 0.372796 0.5 713 63.546 0.00185954 -3.53781 63.546000 Cu 0.499603 0.370238 0 715 63.546 0.00149028 -3.53987 63.546000 Cu 0.539851 0.315101 6.23614e-18 657 63.546 0.000146514 -3.5359 63.546000 Cu 0.60982 0.312582 0.5 663 63.546 0.000159459 -3.53602 63.546000 Cu 0.559789 0.350167 1.38394e-16 686 63.546 0.000498163 -3.53945 63.546000 Cu 0.549775 0.332645 0.5 687 63.546 0.000353515 -3.53749 63.546000 Cu 0.619877 0.330094 1.31918e-16 689 63.546 0.000131541 -3.53724 63.546000 Cu 0.700183 0.345018 2.39851e-19 690 63.546 0.000224409 -3.53451 63.546000 Cu 0.689994 0.327529 0.5 691 63.546 3.15104e-05 -3.53588 63.546000 Cu 0.630002 0.347588 0.5 692 63.546 9.25777e-05 -3.53742 63.546000 Cu 0.569988 0.367639 0.5 717 63.546 0.000383535 -3.53878 63.546000 Cu 0.640316 0.365051 1.67656e-16 719 63.546 0.000411898 -3.5351 63.546000 Cu 0.71041 0.362514 0.5 721 63.546 0.00116744 -3.53162 63.546000 Cu 0.999603 0.370238 7.69923e-17 670 63.546 0.00149028 -3.53987 63.546000 Cu 0.900027 0.320028 4.79703e-19 640 63.546 0.000126641 -3.53419 63.546000 Cu 0.979781 0.335146 6.69185e-17 641 63.546 0.000215912 -3.53634 63.546000 Cu 0.969943 0.317578 0.5 642 63.546 3.12683e-05 -3.53506 63.546000 Cu 0.909912 0.337597 0.5 643 63.546 4.60488e-05 -3.53407 63.546000 Cu 0.919726 0.355196 1 669 63.546 0.000323002 -3.53545 63.546000 Cu 0.989657 0.352715 0.5 671 63.546 0.000820768 -3.53878 63.546000 Cu 0.929444 0.372796 0.5 672 63.546 0.00185954 -3.53781 63.546000 Cu 0.760066 0.324985 7.19554e-18 693 63.546 0.000202611 -3.53464 63.546000 Cu 0.840103 0.340031 5.82839e-17 694 63.546 0.000366615 -3.53241 63.546000 Cu 0.830081 0.322486 0.5 695 63.546 0.000318897 -3.53391 63.546000 Cu 0.770215 0.342496 0.5 696 63.546 0.000546975 -3.53255 63.546000 Cu 0.78026 0.360045 1.69815e-16 723 63.546 0.0010277 -3.53003 63.546000 Cu 0.84997 0.357622 0.5 724 63.546 0.000230088 -3.53177 63.546000 Cu 0.0200941 0.40498 9.54609e-17 700 63.546 0.00318584 -3.52654 63.546000 Cu 0.00969291 0.387661 0.5 701 63.546 0.00125605 -3.5366 63.546000 Cu 0.0803217 0.385024 1.40313e-16 703 63.546 0.00078137 -3.53455 63.546000 Cu 0.160831 0.399985 1.64538e-16 704 63.546 0.00684545 -3.52788 63.546000 Cu 0.150703 0.382501 0.5 705 63.546 0.00277641 -3.5318 63.546000 Cu 0.0906099 0.402363 0.5 706 63.546 0.00566419 -3.52523 63.546000 Cu 0.220625 0.380072 1.4583e-16 707 63.546 0.00261548 -3.53037 63.546000 Cu 0.23055 0.397738 0.5 710 63.546 0.0029253 -3.53282 63.546000 Cu 0.0309535 0.42231 0.5 730 63.546 0.0173161 -3.51252 63.546000 Cu 0.100613 0.419758 4.82101e-17 732 63.546 0.0235811 -3.50723 63.546000 Cu 0.178344 0.43538 1.24963e-16 733 63.546 0.0194986 -3.51355 63.546000 Cu 0.170189 0.417587 0.5 734 63.546 0.00698318 -3.5234 63.546000 Cu 0.239786 0.415502 1.49188e-16 736 63.546 0.00398294 -3.54099 63.546000 Cu 0.248011 0.433261 0.5 739 63.546 0.0208721 -3.54967 63.546000 Cu 0.11009 0.437494 0.5 735 63.546 0.0579046 -3.47893 63.546000 Cu 0.299935 0.395438 1.86365e-16 708 63.546 0.00121846 -3.53695 63.546000 Cu 0.290157 0.377684 0.5 709 63.546 0.000645465 -3.53087 63.546000 Cu 0.359652 0.375276 1.28321e-16 711 63.546 0.000715796 -3.53411 63.546000 Cu 0.439296 0.390348 1.4535e-16 712 63.546 0.00430572 -3.53792 63.546000 Cu 0.369388 0.392971 0.5 714 63.546 0.00387968 -3.53873 63.546000 Cu 0.319003 0.430834 1 737 63.546 0.0333326 -3.56345 63.546000 Cu 0.309551 0.413222 0.5 738 63.546 0.0109088 -3.55076 63.546000 Cu 0.379524 0.410636 3.02213e-17 740 63.546 0.0101253 -3.5477 63.546000 Cu 0.461131 0.425186 9.59406e-19 741 63.546 0.00350665 -3.53582 63.546000 Cu 0.449664 0.407809 0.5 742 63.546 0.00423826 -3.53561 63.546000 Cu 0.390365 0.428106 0.5 743 63.546 0.0188658 -3.55661 63.546000 Cu 0.580322 0.385024 5.03688e-17 716 63.546 0.00078137 -3.53455 63.546000 Cu 0.509693 0.387661 0.5 718 63.546 0.00125605 -3.5366 63.546000 Cu 0.720625 0.380072 7.9151e-17 720 63.546 0.00261548 -3.53037 63.546000 Cu 0.650703 0.382501 0.5 722 63.546 0.00277641 -3.5318 63.546000 Cu 0.520094 0.40498 1.99556e-16 744 63.546 0.00318584 -3.52654 63.546000 Cu 0.600613 0.419758 7.12359e-17 745 63.546 0.0235811 -3.50723 63.546000 Cu 0.59061 0.402363 0.5 746 63.546 0.00566419 -3.52523 63.546000 Cu 0.530953 0.42231 0.5 747 63.546 0.0173161 -3.51252 63.546000 Cu 0.660831 0.399985 9.49812e-17 748 63.546 0.00684545 -3.52788 63.546000 Cu 0.739786 0.415502 4.98891e-17 749 63.546 0.00398294 -3.54099 63.546000 Cu 0.73055 0.397738 0.5 750 63.546 0.0029253 -3.53282 63.546000 Cu 0.670189 0.417587 0.5 751 63.546 0.00698318 -3.5234 63.546000 Cu 0.678344 0.43538 1 776 63.546 0.0194986 -3.51355 63.546000 Cu 0.748011 0.433261 0.5 778 63.546 0.0208721 -3.54967 63.546000 Cu 0.61009 0.437494 0.5 774 63.546 0.0579046 -3.47893 63.546000 Cu 0.859652 0.375276 0 668 63.546 0.000715796 -3.53411 63.546000 Cu 0.879524 0.410636 1.03136e-16 697 63.546 0.0101253 -3.5477 63.546000 Cu 0.869388 0.392971 0.5 698 63.546 0.00387968 -3.53873 63.546000 Cu 0.939296 0.390348 4.79703e-19 699 63.546 0.00430572 -3.53792 63.546000 Cu 0.949664 0.407809 0.5 702 63.546 0.00423826 -3.53561 63.546000 Cu 0.790157 0.377684 0.5 725 63.546 0.000645465 -3.53087 63.546000 Cu 0.890365 0.428106 0.5 727 63.546 0.0188658 -3.55661 63.546000 Cu 0.961131 0.425186 1.91881e-17 728 63.546 0.00350665 -3.53582 63.546000 Cu 0.799935 0.395438 0 752 63.546 0.00121846 -3.53695 63.546000 Cu 0.809551 0.413222 0.5 753 63.546 0.0109088 -3.55076 63.546000 Cu 0.819003 0.430834 9.90586e-17 780 63.546 0.0333326 -3.56345 63.546000 Cu 0.0428112 0.439916 2.39851e-18 729 63.546 0.0516338 -3.4969 63.546000 Cu 0.0648719 0.476744 1.4559e-16 757 63.546 0.231377 -3.53695 63.546000 Cu 0.0551843 0.458224 0.5 758 63.546 0.14699 -3.50509 63.546000 Cu 0.120085 0.456053 7.89111e-17 760 63.546 0.065177 -3.4396 63.546000 Cu 0.194148 0.472364 1.00258e-16 761 63.546 0.957072 -3.32716 63.546000 Cu 0.185387 0.45345 0.5 762 63.546 0.202666 -3.46079 63.546000 Cu 0.132816 0.47597 0.5 763 63.546 0.50441 -3.46316 63.546000 Cu 0.0685627 0.49493 0.5 785 63.546 0.237671 -3.53864 63.546000 Cu 0.143321 0.494928 2.39851e-19 786 63.546 1.95882 -3.67153 63.546000 Cu 0.215927 0.494938 0.5 787 63.546 8.24894 -3.90398 63.546000 Cu 0.255574 0.450803 1 764 63.546 0.108418 -3.53724 63.546000 Cu 0.338759 0.464281 1 765 63.546 0.0577854 -3.47173 63.546000 Cu 0.328269 0.447945 0.5 766 63.546 0.0398092 -3.54405 63.546000 Cu 0.262542 0.46774 0.5 767 63.546 1.01585 -3.35668 63.546000 Cu 0.401987 0.445148 1.36715e-17 768 63.546 0.0300432 -3.54566 63.546000 Cu 0.486128 0.459728 1.17527e-17 769 63.546 0.192084 -3.50835 63.546000 Cu 0.473611 0.442558 0.5 770 63.546 0.0443314 -3.54282 63.546000 Cu 0.412378 0.461882 0.5 771 63.546 0.0660234 -3.52435 63.546000 Cu 0.274906 0.483672 1 788 63.546 9.14669 -3.05221 63.546000 Cu 0.34506 0.480509 0.5 790 63.546 4.30406 -3.34221 63.546000 Cu 0.423524 0.477874 6.52396e-17 791 63.546 0.45333 -3.40186 63.546000 Cu 0.49472 0.477256 0.5 793 63.546 0.193097 -3.50276 63.546000 Cu 0.427901 0.494958 0.5 794 63.546 0.651245 -3.41559 63.546000 Cu 0.497452 0.494955 2.44648e-17 792 63.546 0.121401 -3.51062 63.546000 Cu 0.359335 0.494959 2.45128e-16 789 63.546 6.5337 -2.77852 63.546000 Cu 0.715927 0.494938 0.5 9 63.546 8.24894 -3.90398 63.546000 Cu 0.694148 0.472364 0 387 63.546 0.957072 -3.32716 63.546000 Cu 0.568563 0.49493 0.5 397 63.546 0.237671 -3.53864 63.546000 Cu 0.632816 0.47597 0.5 398 63.546 0.50441 -3.46316 63.546000 Cu 0.542811 0.439916 1.99077e-17 772 63.546 0.0516338 -3.4969 63.546000 Cu 0.620085 0.456053 1.65497e-17 773 63.546 0.065177 -3.4396 63.546000 Cu 0.555184 0.458224 0.5 775 63.546 0.14699 -3.50509 63.546000 Cu 0.685387 0.45345 0.5 779 63.546 0.202666 -3.46079 63.546000 Cu 0.564872 0.476744 0 795 63.546 0.231377 -3.53695 63.546000 Cu 0.643321 0.494928 6.93171e-17 796 63.546 1.95882 -3.67153 63.546000 Cu 0.997452 0.494955 1.75331e-16 784 63.546 0.121401 -3.51062 63.546000 Cu 0.84506 0.480509 0.5 1 63.546 4.30406 -3.34221 63.546000 Cu 0.838759 0.464281 9.59406e-19 3 63.546 0.0577854 -3.47173 63.546000 Cu 0.762542 0.46774 0.5 11 63.546 1.01585 -3.35668 63.546000 Cu 0.774906 0.483672 2.39851e-19 385 63.546 9.14669 -3.05221 63.546000 Cu 0.901987 0.445148 9.01841e-17 726 63.546 0.0300432 -3.54566 63.546000 Cu 0.973611 0.442558 0.5 731 63.546 0.0443314 -3.54282 63.546000 Cu 0.923524 0.477874 1 754 63.546 0.45333 -3.40186 63.546000 Cu 0.912378 0.461882 0.5 755 63.546 0.0660234 -3.52435 63.546000 Cu 0.986128 0.459728 7.14757e-17 756 63.546 0.192084 -3.50835 63.546000 Cu 0.99472 0.477256 0.5 759 63.546 0.193097 -3.50276 63.546000 Cu 0.755574 0.450803 0 777 63.546 0.108418 -3.53724 63.546000 Cu 0.828269 0.447945 0.5 781 63.546 0.0398092 -3.54405 63.546000 Cu 0.927901 0.494958 0.5 783 63.546 0.651245 -3.41559 63.546000 Cu 0.859335 0.494959 3.52342e-16 782 63.546 6.5337 -2.77852 63.546000 Cu 0.0649588 0.513137 2.56641e-16 6 63.546 0.239051 -3.53702 63.546000 Cu 0.132845 0.513895 0.5 8 63.546 0.510211 -3.46116 63.546000 Cu 0.194121 0.517498 1.72213e-16 10 63.546 0.965589 -3.32682 63.546000 Cu 0.0427702 0.549991 8.75458e-17 33 63.546 0.0520826 -3.49708 63.546000 Cu 0.0552453 0.531652 0.5 34 63.546 0.151768 -3.50441 63.546000 Cu 0.120087 0.533843 2.59279e-16 36 63.546 0.066291 -3.43764 63.546000 Cu 0.11 0.552402 0.5 37 63.546 0.0592699 -3.47874 63.546000 Cu 0.178246 0.554519 5.56455e-17 38 63.546 0.0209331 -3.51353 63.546000 Cu 0.185292 0.536436 0.5 39 63.546 0.210632 -3.46025 63.546000 Cu 0.247979 0.55664 0.5 43 63.546 0.0221579 -3.55046 63.546000 Cu 0.274931 0.506257 2.55921e-16 12 63.546 9.16096 -3.05191 63.546000 Cu 0.338796 0.525652 1.71014e-16 13 63.546 0.0586627 -3.47228 63.546000 Cu 0.345049 0.509415 0.5 14 63.546 4.31511 -3.34303 63.546000 Cu 0.262548 0.5222 0.5 15 63.546 1.02754 -3.35659 63.546000 Cu 0.423516 0.512031 5.37267e-17 16 63.546 0.445777 -3.40087 63.546000 Cu 0.486193 0.530155 2.97176e-16 17 63.546 0.193222 -3.50815 63.546000 Cu 0.494759 0.512648 0.5 18 63.546 0.195376 -3.50216 63.546000 Cu 0.412413 0.528029 0.5 19 63.546 0.0659878 -3.52383 63.546000 Cu 0.25553 0.539114 4.14943e-16 40 63.546 0.111266 -3.53769 63.546000 Cu 0.319083 0.559084 1.16328e-16 41 63.546 0.0332974 -3.56341 63.546000 Cu 0.328347 0.541991 0.5 42 63.546 0.0376742 -3.54376 63.546000 Cu 0.402101 0.544769 3.82323e-16 44 63.546 0.0326969 -3.54478 63.546000 Cu 0.473623 0.547334 0.5 46 63.546 0.0448579 -3.54226 63.546000 Cu 0.390443 0.561823 0.5 47 63.546 0.0182216 -3.55694 63.546000 Cu 0.564959 0.513137 7.5793e-17 20 63.546 0.239051 -3.53702 63.546000 Cu 0.620087 0.533843 1.00977e-16 21 63.546 0.066291 -3.43764 63.546000 Cu 0.632845 0.513895 0.5 22 63.546 0.510211 -3.46116 63.546000 Cu 0.555245 0.531652 0.5 23 63.546 0.151768 -3.50441 63.546000 Cu 0.694121 0.517498 1.57822e-16 24 63.546 0.965589 -3.32682 63.546000 Cu 0.685292 0.536436 0.5 27 63.546 0.210632 -3.46025 63.546000 Cu 0.54277 0.549991 5.42064e-17 48 63.546 0.0520826 -3.49708 63.546000 Cu 0.61 0.552402 0.5 50 63.546 0.0592699 -3.47874 63.546000 Cu 0.678246 0.554519 6.18817e-17 52 63.546 0.0209331 -3.51353 63.546000 Cu 0.747979 0.55664 0.5 54 63.546 0.0221579 -3.55046 63.546000 Cu 0.774931 0.506257 1.86125e-16 2 63.546 9.16096 -3.05191 63.546000 Cu 0.923516 0.512031 3.31235e-16 4 63.546 0.445777 -3.40087 63.546000 Cu 0.845049 0.509415 0.5 5 63.546 4.31511 -3.34303 63.546000 Cu 0.994759 0.512648 0.5 7 63.546 0.195376 -3.50216 63.546000 Cu 0.75553 0.539114 1.76051e-16 25 63.546 0.111266 -3.53769 63.546000 Cu 0.762548 0.5222 0.5 26 63.546 1.02754 -3.35659 63.546000 Cu 0.838796 0.525652 3.15884e-16 28 63.546 0.0586627 -3.47228 63.546000 Cu 0.902101 0.544769 1.65258e-16 29 63.546 0.0326969 -3.54478 63.546000 Cu 0.912413 0.528029 0.5 30 63.546 0.0659878 -3.52383 63.546000 Cu 0.828347 0.541991 0.5 31 63.546 0.0376742 -3.54376 63.546000 Cu 0.986193 0.530155 2.55202e-16 32 63.546 0.193222 -3.50815 63.546000 Cu 0.973623 0.547334 0.5 35 63.546 0.0448579 -3.54226 63.546000 Cu 0.819083 0.559084 1.71494e-16 56 63.546 0.0332974 -3.56341 63.546000 Cu 0.890443 0.561823 0.5 58 63.546 0.0182216 -3.55694 63.546000 Cu 0.0200244 0.584943 2.30257e-17 61 63.546 0.00341906 -3.52562 63.546000 Cu 0.0308158 0.567596 0.5 62 63.546 0.0172137 -3.51126 63.546000 Cu 0.10049 0.570147 4.70109e-17 64 63.546 0.0239638 -3.50716 63.546000 Cu 0.0904773 0.587538 0.5 65 63.546 0.00475708 -3.52442 63.546000 Cu 0.160729 0.589898 9.59406e-19 66 63.546 0.00627757 -3.52749 63.546000 Cu 0.170106 0.572307 0.5 67 63.546 0.00695028 -3.52299 63.546000 Cu 0.239747 0.574387 2.39851e-19 68 63.546 0.00481564 -3.54109 63.546000 Cu 0.230428 0.59215 0.5 71 63.546 0.0027087 -3.53307 63.546000 Cu 0.00973258 0.602281 0.5 90 63.546 0.000788618 -3.53612 63.546000 Cu 0.0802613 0.60489 1 92 63.546 0.000781065 -3.53465 63.546000 Cu 0.0699813 0.62231 0.5 93 63.546 0.000184837 -3.53855 63.546000 Cu 0.140231 0.624879 7.86713e-17 94 63.546 0.000441053 -3.53521 63.546000 Cu 0.150558 0.607396 0.5 95 63.546 0.00214178 -3.53286 63.546000 Cu 0.220442 0.609822 1.19926e-18 96 63.546 0.00181934 -3.53047 63.546000 Cu 0.461146 0.564733 1.06254e-16 45 63.546 0.0035897 -3.53489 63.546000 Cu 0.299843 0.594476 8.17893e-17 69 63.546 0.00115267 -3.53813 63.546000 Cu 0.30953 0.576683 0.5 70 63.546 0.0115826 -3.55187 63.546000 Cu 0.379512 0.579306 3.98153e-17 72 63.546 0.00888023 -3.54876 63.546000 Cu 0.439308 0.599601 1.26402e-16 73 63.546 0.00349224 -3.53795 63.546000 Cu 0.449639 0.582135 0.5 74 63.546 0.00416913 -3.53594 63.546000 Cu 0.369353 0.596965 0.5 75 63.546 0.00352182 -3.53891 63.546000 Cu 0.290018 0.612214 0.5 98 63.546 0.000499325 -3.531 63.546000 Cu 0.359604 0.614641 2.29298e-16 100 63.546 0.000674104 -3.53377 63.546000 Cu 0.429464 0.617141 0.5 102 63.546 0.00141363 -3.53767 63.546000 Cu 0.499651 0.619708 1 104 63.546 0.000957146 -3.53974 63.546000 Cu 0.60049 0.570147 8.82653e-17 49 63.546 0.0239638 -3.50716 63.546000 Cu 0.530816 0.567596 0.5 51 63.546 0.0172137 -3.51126 63.546000 Cu 0.739747 0.574387 7.19554e-19 53 63.546 0.00481564 -3.54109 63.546000 Cu 0.670106 0.572307 0.5 55 63.546 0.00695028 -3.52299 63.546000 Cu 0.520024 0.584943 6.83577e-17 76 63.546 0.00341906 -3.52562 63.546000 Cu 0.580261 0.60489 3.64574e-17 77 63.546 0.000781065 -3.53465 63.546000 Cu 0.590477 0.587538 0.5 78 63.546 0.00475708 -3.52442 63.546000 Cu 0.509733 0.602281 0.5 79 63.546 0.000788618 -3.53612 63.546000 Cu 0.660729 0.589898 1 80 63.546 0.00627757 -3.52749 63.546000 Cu 0.720442 0.609822 3.5498e-17 81 63.546 0.00181934 -3.53047 63.546000 Cu 0.730428 0.59215 0.5 82 63.546 0.0027087 -3.53307 63.546000 Cu 0.650558 0.607396 0.5 83 63.546 0.00214178 -3.53286 63.546000 Cu 0.569981 0.62231 0.5 106 63.546 0.000184837 -3.53855 63.546000 Cu 0.640231 0.624879 1 108 63.546 0.000441053 -3.53521 63.546000 Cu 0.999651 0.619708 1 89 63.546 0.000957146 -3.53974 63.546000 Cu 0.879512 0.579306 1 57 63.546 0.00888023 -3.54876 63.546000 Cu 0.80953 0.576683 0.5 59 63.546 0.0115826 -3.55187 63.546000 Cu 0.961146 0.564733 3.07969e-16 60 63.546 0.0035897 -3.53489 63.546000 Cu 0.949639 0.582135 0.5 63 63.546 0.00416913 -3.53594 63.546000 Cu 0.799843 0.594476 1.05295e-16 84 63.546 0.00115267 -3.53813 63.546000 Cu 0.859604 0.614641 9.59406e-19 85 63.546 0.000674104 -3.53377 63.546000 Cu 0.869353 0.596965 0.5 86 63.546 0.00352182 -3.53891 63.546000 Cu 0.790018 0.612214 0.5 87 63.546 0.000499325 -3.531 63.546000 Cu 0.939308 0.599601 3.16604e-17 88 63.546 0.00349224 -3.53795 63.546000 Cu 0.929464 0.617141 0.5 91 63.546 0.00141363 -3.53767 63.546000 Cu 0.210263 0.627387 0.5 99 63.546 0.000829993 -3.53123 63.546000 Cu 0.0597722 0.639784 1.19926e-18 120 63.546 0.000309084 -3.53798 63.546000 Cu 0.119848 0.659838 1.19926e-18 121 63.546 0.000106258 -3.53632 63.546000 Cu 0.129967 0.642352 0.5 122 63.546 5.21107e-05 -3.53541 63.546000 Cu 0.0497324 0.657301 0.5 123 63.546 0.000247325 -3.53691 63.546000 Cu 0.200112 0.644896 9.59406e-19 124 63.546 0.000262604 -3.53282 63.546000 Cu 0.189969 0.662383 0.5 127 63.546 2.02933e-05 -3.53512 63.546000 Cu 0.0397992 0.674841 1 148 63.546 8.33055e-05 -3.53545 63.546000 Cu 0.109807 0.677356 0.5 150 63.546 9.05881e-05 -3.5361 63.546000 Cu 0.179862 0.67989 1 152 63.546 3.45598e-05 -3.53567 63.546000 Cu 0.249932 0.68242 0.5 154 63.546 2.9394e-05 -3.53428 63.546000 Cu 0.280094 0.629843 1.27361e-16 97 63.546 0.000550702 -3.53025 63.546000 Cu 0.419668 0.634725 1.4607e-16 101 63.546 0.000332005 -3.53648 63.546000 Cu 0.349862 0.632273 0.5 103 63.546 9.52799e-05 -3.53256 63.546000 Cu 0.489649 0.637233 0.5 107 63.546 0.000560202 -3.53895 63.546000 Cu 0.260035 0.664916 9.30623e-17 125 63.546 0.00013868 -3.5338 63.546000 Cu 0.270109 0.647397 0.5 126 63.546 0.000377988 -3.53188 63.546000 Cu 0.339978 0.649865 1 128 63.546 0.000175659 -3.53284 63.546000 Cu 0.399922 0.669889 1.67896e-18 129 63.546 6.81328e-05 -3.53291 63.546000 Cu 0.409812 0.652322 0.5 130 63.546 3.84531e-05 -3.53474 63.546000 Cu 0.330004 0.667417 0.5 131 63.546 0.000189931 -3.53295 63.546000 Cu 0.479712 0.654794 1 132 63.546 0.000176141 -3.53634 63.546000 Cu 0.469834 0.672355 0.5 135 63.546 2.0848e-05 -3.53399 63.546000 Cu 0.31999 0.684933 1.19926e-18 156 63.546 7.62202e-05 -3.53319 63.546000 Cu 0.390002 0.687423 0.5 158 63.546 8.57841e-05 -3.53292 63.546000 Cu 0.559772 0.639784 1 105 63.546 0.000309084 -3.53798 63.546000 Cu 0.700112 0.644896 2.15866e-18 109 63.546 0.000262604 -3.53282 63.546000 Cu 0.710263 0.627387 0.5 110 63.546 0.000829993 -3.53123 63.546000 Cu 0.629967 0.642352 0.5 111 63.546 5.21107e-05 -3.53541 63.546000 Cu 0.539799 0.674841 8.3948e-17 133 63.546 8.33055e-05 -3.53545 63.546000 Cu 0.549732 0.657301 0.5 134 63.546 0.000247325 -3.53691 63.546000 Cu 0.619848 0.659838 1.59261e-16 136 63.546 0.000106258 -3.53632 63.546000 Cu 0.679862 0.67989 3.90958e-17 137 63.546 3.45598e-05 -3.53567 63.546000 Cu 0.689969 0.662383 0.5 138 63.546 2.02933e-05 -3.53512 63.546000 Cu 0.609807 0.677356 0.5 139 63.546 9.05881e-05 -3.5361 63.546000 Cu 0.749932 0.68242 0.5 143 63.546 2.9394e-05 -3.53428 63.546000 Cu 0.780094 0.629843 1.47748e-16 112 63.546 0.000550702 -3.53025 63.546000 Cu 0.839978 0.649865 9.59406e-19 113 63.546 0.000175659 -3.53284 63.546000 Cu 0.849862 0.632273 0.5 114 63.546 9.52799e-05 -3.53256 63.546000 Cu 0.770109 0.647397 0.5 115 63.546 0.000377988 -3.53188 63.546000 Cu 0.919668 0.634725 2.29538e-16 116 63.546 0.000332005 -3.53648 63.546000 Cu 0.979712 0.654794 1 117 63.546 0.000176141 -3.53634 63.546000 Cu 0.989649 0.637233 0.5 118 63.546 0.000560202 -3.53895 63.546000 Cu 0.909812 0.652322 0.5 119 63.546 3.84531e-05 -3.53474 63.546000 Cu 0.760035 0.664916 1.19926e-18 140 63.546 0.00013868 -3.5338 63.546000 Cu 0.81999 0.684933 1.10571e-16 141 63.546 7.62202e-05 -3.53319 63.546000 Cu 0.830004 0.667417 0.5 142 63.546 0.000189931 -3.53295 63.546000 Cu 0.899922 0.669889 5.94831e-17 144 63.546 6.81328e-05 -3.53291 63.546000 Cu 0.969834 0.672355 0.5 146 63.546 2.0848e-05 -3.53399 63.546000 Cu 0.890002 0.687423 0.5 147 63.546 8.57841e-05 -3.53292 63.546000 Cu 0.0998191 0.69489 1 149 63.546 6.65682e-05 -3.5351 63.546000 Cu 0.0298717 0.692389 0.5 151 63.546 1.40853e-05 -3.53471 63.546000 Cu 0.239895 0.699917 1.67896e-18 153 63.546 2.58734e-05 -3.53423 63.546000 Cu 0.169834 0.697402 0.5 155 63.546 6.81203e-05 -3.53478 63.546000 Cu 0.0199409 0.709942 1 176 63.546 1.41471e-05 -3.53515 63.546000 Cu 0.0800132 0.729977 1 177 63.546 2.48813e-05 -3.53495 63.546000 Cu 0.0899039 0.712434 0.5 178 63.546 8.91524e-06 -3.53543 63.546000 Cu 0.0100059 0.727482 0.5 179 63.546 3.67335e-05 -3.53463 63.546000 Cu 0.159898 0.714928 1 180 63.546 3.33494e-05 -3.53552 63.546000 Cu 0.219986 0.734972 1 181 63.546 5.63834e-06 -3.53586 63.546000 Cu 0.229917 0.717431 0.5 182 63.546 5.48298e-05 -3.53559 63.546000 Cu 0.150004 0.732471 0.5 183 63.546 5.51093e-06 -3.53549 63.546000 Cu 2.44135e-05 0.745001 1 204 63.546 1.34164e-06 -3.5337 63.546000 Cu 0.0700605 0.747502 0.5 206 63.546 1.75259e-05 -3.53398 63.546000 Cu 0.380006 0.704943 1.19926e-18 157 63.546 3.76774e-05 -3.53425 63.546000 Cu 0.309972 0.702432 0.5 159 63.546 1.31902e-05 -3.53406 63.546000 Cu 0.459947 0.689903 1 160 63.546 2.52849e-05 -3.53372 63.546000 Cu 0.44999 0.707447 0.5 163 63.546 3.90301e-05 -3.53475 63.546000 Cu 0.299945 0.719945 6.23614e-18 184 63.546 3.07509e-05 -3.53549 63.546000 Cu 0.359964 0.73999 4.79703e-19 185 63.546 2.78686e-05 -3.53491 63.546000 Cu 0.36997 0.722464 0.5 186 63.546 2.55834e-06 -3.53519 63.546000 Cu 0.289965 0.73748 0.5 187 63.546 2.30078e-05 -3.53563 63.546000 Cu 0.439992 0.724978 1 188 63.546 1.96155e-05 -3.53478 63.546000 Cu 0.429985 0.742497 0.5 191 63.546 1.03583e-05 -3.53407 63.546000 Cu 0.519941 0.709942 9.01841e-17 161 63.546 1.41471e-05 -3.53515 63.546000 Cu 0.529872 0.692389 0.5 162 63.546 1.40853e-05 -3.53471 63.546000 Cu 0.599819 0.69489 4.60515e-17 164 63.546 6.65682e-05 -3.5351 63.546000 Cu 0.659898 0.714928 1.99077e-17 165 63.546 3.33494e-05 -3.53552 63.546000 Cu 0.669834 0.697402 0.5 166 63.546 6.81203e-05 -3.53478 63.546000 Cu 0.589904 0.712434 0.5 167 63.546 8.91524e-06 -3.53543 63.546000 Cu 0.739895 0.699917 1 168 63.546 2.58734e-05 -3.53423 63.546000 Cu 0.729917 0.717431 0.5 171 63.546 5.48298e-05 -3.53559 63.546000 Cu 0.500024 0.745001 7.96307e-17 189 63.546 1.34164e-06 -3.5337 63.546000 Cu 0.510006 0.727482 0.5 190 63.546 3.67335e-05 -3.53463 63.546000 Cu 0.580013 0.729977 1.19926e-18 192 63.546 2.48813e-05 -3.53495 63.546000 Cu 0.650004 0.732471 0.5 194 63.546 5.51093e-06 -3.53549 63.546000 Cu 0.57006 0.747502 0.5 195 63.546 1.75259e-05 -3.53398 63.546000 Cu 0.719986 0.734972 1 196 63.546 5.63834e-06 -3.53586 63.546000 Cu 0.959947 0.689903 8.68262e-17 145 63.546 2.52849e-05 -3.53372 63.546000 Cu 0.799945 0.719945 4.14943e-17 169 63.546 3.07509e-05 -3.53549 63.546000 Cu 0.809972 0.702432 0.5 170 63.546 1.31902e-05 -3.53406 63.546000 Cu 0.880006 0.704943 1.59501e-16 172 63.546 3.76774e-05 -3.53425 63.546000 Cu 0.939992 0.724978 7.19554e-19 173 63.546 1.96155e-05 -3.53478 63.546000 Cu 0.94999 0.707447 0.5 174 63.546 3.90301e-05 -3.53475 63.546000 Cu 0.86997 0.722464 0.5 175 63.546 2.55834e-06 -3.53519 63.546000 Cu 0.789965 0.73748 0.5 198 63.546 2.30078e-05 -3.53563 63.546000 Cu 0.859964 0.73999 1.87084e-17 200 63.546 2.78686e-05 -3.53491 63.546000 Cu 0.929985 0.742497 0.5 202 63.546 1.03583e-05 -3.53407 63.546000 Cu 0.140081 0.750008 1 209 63.546 3.05375e-05 -3.53465 63.546000 Cu 0.0600472 0.765019 1.19926e-18 205 63.546 2.27202e-05 -3.53465 63.546000 Cu 0.130081 0.767532 0.5 208 63.546 7.50841e-06 -3.53519 63.546000 Cu 0.200116 0.77005 1.91881e-18 210 63.546 2.93197e-05 -3.53559 63.546000 Cu 0.210079 0.752517 0.5 211 63.546 2.03315e-05 -3.53521 63.546000 Cu 0.0400867 0.800102 3.50183e-17 233 63.546 2.99923e-05 -3.53346 63.546000 Cu 0.0500367 0.782552 0.5 234 63.546 6.15888e-05 -3.53489 63.546000 Cu 0.120027 0.785057 1 236 63.546 4.15849e-05 -3.53483 63.546000 Cu 0.110006 0.802582 0.5 237 63.546 0.000134131 -3.53265 63.546000 Cu 0.180015 0.805073 4.79703e-19 238 63.546 9.59403e-05 -3.53263 63.546000 Cu 0.190072 0.78757 0.5 239 63.546 1.47762e-05 -3.53494 63.546000 Cu 0.280059 0.755025 1.91881e-18 212 63.546 3.9251e-06 -3.53529 63.546000 Cu 0.340152 0.77507 1.49427e-16 213 63.546 3.2229e-05 -3.53556 63.546000 Cu 0.350033 0.757526 0.5 214 63.546 1.095e-05 -3.53496 63.546000 Cu 0.270145 0.772565 0.5 215 63.546 5.34537e-05 -3.53566 63.546000 Cu 0.420018 0.760021 1 216 63.546 4.12595e-05 -3.5345 63.546000 Cu 0.480081 0.780057 9.59406e-19 217 63.546 3.12027e-05 -3.53516 63.546000 Cu 0.490023 0.762516 0.5 218 63.546 5.01278e-05 -3.53434 63.546000 Cu 0.41013 0.777566 0.5 219 63.546 5.41578e-06 -3.53537 63.546000 Cu 0.260149 0.790086 7.19554e-19 240 63.546 3.64862e-05 -3.53518 63.546000 Cu 0.3202 0.810117 0 241 63.546 5.28239e-05 -3.535 63.546000 Cu 0.330227 0.792603 0.5 242 63.546 9.50414e-05 -3.53539 63.546000 Cu 0.250097 0.807585 0.5 243 63.546 1.85482e-05 -3.53378 63.546000 Cu 0.400248 0.795115 7.19554e-19 244 63.546 9.86389e-05 -3.5353 63.546000 Cu 0.470193 0.797616 0.5 246 63.546 2.58394e-05 -3.53462 63.546000 Cu 0.640081 0.750008 1.43911e-18 193 63.546 3.05375e-05 -3.53465 63.546000 Cu 0.710079 0.752517 0.5 199 63.546 2.03315e-05 -3.53521 63.546000 Cu 0.560047 0.765019 1 220 63.546 2.27202e-05 -3.53465 63.546000 Cu 0.620027 0.785057 1 221 63.546 4.15849e-05 -3.53483 63.546000 Cu 0.630081 0.767532 0.5 222 63.546 7.50841e-06 -3.53519 63.546000 Cu 0.550037 0.782552 0.5 223 63.546 6.15888e-05 -3.53489 63.546000 Cu 0.700116 0.77005 1.19926e-18 224 63.546 2.93197e-05 -3.53559 63.546000 Cu 0.690072 0.78757 0.5 227 63.546 1.47762e-05 -3.53494 63.546000 Cu 0.540087 0.800102 0 248 63.546 2.99923e-05 -3.53346 63.546000 Cu 0.610006 0.802582 0.5 250 63.546 0.000134131 -3.53265 63.546000 Cu 0.680015 0.805073 1.79889e-17 252 63.546 9.59403e-05 -3.53263 63.546000 Cu 0.780059 0.755025 8.70661e-17 197 63.546 3.9251e-06 -3.53529 63.546000 Cu 0.920018 0.760021 1 201 63.546 4.12595e-05 -3.5345 63.546000 Cu 0.850033 0.757526 0.5 203 63.546 1.095e-05 -3.53496 63.546000 Cu 0.990023 0.762516 0.5 207 63.546 5.01278e-05 -3.53434 63.546000 Cu 0.760149 0.790086 9.3542e-18 225 63.546 3.64862e-05 -3.53518 63.546000 Cu 0.770145 0.772565 0.5 226 63.546 5.34537e-05 -3.53566 63.546000 Cu 0.840152 0.77507 1 228 63.546 3.2229e-05 -3.53556 63.546000 Cu 0.900248 0.795115 1 229 63.546 9.86389e-05 -3.5353 63.546000 Cu 0.91013 0.777566 0.5 230 63.546 5.41578e-06 -3.53537 63.546000 Cu 0.830227 0.792603 0.5 231 63.546 9.50414e-05 -3.53539 63.546000 Cu 0.980081 0.780057 2.18265e-17 232 63.546 3.12027e-05 -3.53516 63.546000 Cu 0.970193 0.797616 0.5 235 63.546 2.58394e-05 -3.53462 63.546000 Cu 0.750097 0.807585 0.5 254 63.546 1.85482e-05 -3.53378 63.546000 Cu 0.8202 0.810117 1 256 63.546 5.28239e-05 -3.535 63.546000 Cu 0.0203227 0.83523 4.79703e-19 261 63.546 0.000185323 -3.53656 63.546000 Cu 0.030196 0.817661 0.5 262 63.546 3.03553e-05 -3.5339 63.546000 Cu 0.100099 0.820124 0 264 63.546 7.47956e-05 -3.53283 63.546000 Cu 0.090248 0.8377 0.5 265 63.546 4.71647e-05 -3.53484 63.546000 Cu 0.16008 0.840149 1 266 63.546 0.000165482 -3.53313 63.546000 Cu 0.170009 0.822584 0.5 267 63.546 0.000323638 -3.53269 63.546000 Cu 0.240009 0.82508 1 268 63.546 0.000250826 -3.53366 63.546000 Cu 0.229933 0.842612 0.5 271 63.546 0.000445383 -3.53246 63.546000 Cu 0.000446526 0.870331 2.39851e-19 289 63.546 0.00120432 -3.5398 63.546000 Cu 0.0104257 0.852797 0.5 290 63.546 0.000618123 -3.53928 63.546000 Cu 0.0804046 0.855302 5.22876e-17 292 63.546 0.000316821 -3.53631 63.546000 Cu 0.0706016 0.872898 0.5 293 63.546 0.00148999 -3.53783 63.546000 Cu 0.15021 0.857753 0.5 295 63.546 0.000102133 -3.53212 63.546000 Cu 0.219928 0.860181 2.70552e-16 296 63.546 0.000564247 -3.52983 63.546000 Cu 0.39026 0.812652 0.5 247 63.546 0.000110771 -3.53558 63.546000 Cu 0.460267 0.815173 1.38394e-16 245 63.546 0.000125379 -3.53506 63.546000 Cu 0.299903 0.845116 4.31733e-17 269 63.546 0.00034108 -3.53365 63.546000 Cu 0.310088 0.827618 0.5 270 63.546 2.86402e-05 -3.53498 63.546000 Cu 0.380198 0.830174 1 272 63.546 9.72075e-05 -3.53645 63.546000 Cu 0.44027 0.850246 1 273 63.546 0.000378335 -3.5387 63.546000 Cu 0.450293 0.832719 0.5 274 63.546 0.000227456 -3.53707 63.546000 Cu 0.37006 0.847673 0.5 275 63.546 5.3406e-05 -3.53604 63.546000 Cu 0.289744 0.862637 0.5 298 63.546 0.000921108 -3.5314 63.546000 Cu 0.359782 0.865148 0 300 63.546 0.000510676 -3.53477 63.546000 Cu 0.430068 0.867722 0.5 302 63.546 0.000190821 -3.53873 63.546000 Cu 0.600099 0.820124 0 249 63.546 7.47956e-05 -3.53283 63.546000 Cu 0.530196 0.817661 0.5 251 63.546 3.03553e-05 -3.5339 63.546000 Cu 0.740009 0.82508 1 253 63.546 0.000250826 -3.53366 63.546000 Cu 0.670009 0.822584 0.5 255 63.546 0.000323638 -3.53269 63.546000 Cu 0.520323 0.83523 7.67524e-18 276 63.546 0.000185323 -3.53656 63.546000 Cu 0.580405 0.855302 1 277 63.546 0.000316821 -3.53631 63.546000 Cu 0.590248 0.8377 0.5 278 63.546 4.71647e-05 -3.53484 63.546000 Cu 0.510426 0.852797 0.5 279 63.546 0.000618123 -3.53928 63.546000 Cu 0.66008 0.840149 7.19554e-19 280 63.546 0.000165482 -3.53313 63.546000 Cu 0.719928 0.860181 0 281 63.546 0.000564247 -3.52983 63.546000 Cu 0.729933 0.842612 0.5 282 63.546 0.000445383 -3.53246 63.546000 Cu 0.65021 0.857753 0.5 283 63.546 0.000102133 -3.53212 63.546000 Cu 0.500447 0.870331 1.82527e-16 304 63.546 0.00120432 -3.5398 63.546000 Cu 0.570602 0.872898 0.5 306 63.546 0.00148999 -3.53783 63.546000 Cu 0.89026 0.812652 0.5 258 63.546 0.000110771 -3.53558 63.546000 Cu 0.880198 0.830174 9.59406e-19 257 63.546 9.72075e-05 -3.53645 63.546000 Cu 0.810088 0.827618 0.5 259 63.546 2.86402e-05 -3.53498 63.546000 Cu 0.960267 0.815173 1 260 63.546 0.000125379 -3.53506 63.546000 Cu 0.950293 0.832719 0.5 263 63.546 0.000227456 -3.53707 63.546000 Cu 0.799903 0.845116 4.53319e-17 284 63.546 0.00034108 -3.53365 63.546000 Cu 0.859782 0.865148 9.30623e-17 285 63.546 0.000510676 -3.53477 63.546000 Cu 0.87006 0.847673 0.5 286 63.546 5.3406e-05 -3.53604 63.546000 Cu 0.789744 0.862637 0.5 287 63.546 0.000921108 -3.5314 63.546000 Cu 0.94027 0.850246 1 288 63.546 0.000378335 -3.5387 63.546000 Cu 0.930068 0.867722 0.5 291 63.546 0.000190821 -3.53873 63.546000 Cu 0.140448 0.875396 9.59406e-19 294 63.546 0.000695287 -3.53401 63.546000 Cu 0.209991 0.877824 0.5 299 63.546 0.000484906 -3.53055 63.546000 Cu 0.0607318 0.890451 1 320 63.546 0.00368016 -3.53794 63.546000 Cu 0.120513 0.910749 9.30623e-17 321 63.546 0.00929262 -3.54852 63.546000 Cu 0.130679 0.893089 0.5 322 63.546 0.00375676 -3.53938 63.546000 Cu 0.0503671 0.907916 0.5 323 63.546 0.00387837 -3.53548 63.546000 Cu 0.200188 0.895568 1.33357e-16 324 63.546 0.00116105 -3.53767 63.546000 Cu 0.190539 0.913366 0.5 327 63.546 0.011748 -3.5513 63.546000 Cu 0.0388656 0.925312 1 348 63.546 0.00363091 -3.5347 63.546000 Cu 0.109599 0.928222 0.5 350 63.546 0.0176029 -3.55643 63.546000 Cu 0.180958 0.930966 1.00738e-16 352 63.546 0.0332239 -3.56306 63.546000 Cu 0.27957 0.880211 5.03688e-17 297 63.546 0.00189016 -3.53084 63.546000 Cu 0.419768 0.885143 0 301 63.546 0.000827542 -3.53505 63.546000 Cu 0.349476 0.882632 0.5 303 63.546 0.00219986 -3.53308 63.546000 Cu 0.490323 0.88776 0.5 307 63.546 0.000820748 -3.53628 63.546000 Cu 0.260287 0.915656 2.54242e-16 325 63.546 0.00442408 -3.5404 63.546000 Cu 0.269589 0.897888 0.5 326 63.546 0.00275128 -3.53308 63.546000 Cu 0.33931 0.900141 1.65977e-16 328 63.546 0.00609077 -3.52822 63.546000 Cu 0.399488 0.919906 0 329 63.546 0.0235418 -3.50683 63.546000 Cu 0.409551 0.902508 0.5 330 63.546 0.00469413 -3.5248 63.546000 Cu 0.329909 0.917742 0.5 331 63.546 0.00689799 -3.52291 63.546000 Cu 0.479973 0.905106 1.06254e-16 332 63.546 0.00320754 -3.52592 63.546000 Cu 0.469162 0.922459 0.5 335 63.546 0.0165276 -3.5112 63.546000 Cu 0.252036 0.933411 0.5 354 63.546 0.0222365 -3.55013 63.546000 Cu 0.321727 0.935538 4.00552e-17 356 63.546 0.0203738 -3.51339 63.546000 Cu 0.640448 0.875396 4.79703e-19 308 63.546 0.000695287 -3.53401 63.546000 Cu 0.560732 0.890451 1 305 63.546 0.00368016 -3.53794 63.546000 Cu 0.700188 0.895568 1 309 63.546 0.00116105 -3.53767 63.546000 Cu 0.709991 0.877824 0.5 310 63.546 0.000484906 -3.53055 63.546000 Cu 0.630679 0.893089 0.5 311 63.546 0.00375676 -3.53938 63.546000 Cu 0.538866 0.925312 0 333 63.546 0.00363091 -3.5347 63.546000 Cu 0.550367 0.907916 0.5 334 63.546 0.00387837 -3.53548 63.546000 Cu 0.620513 0.910749 4.91695e-17 336 63.546 0.00929262 -3.54852 63.546000 Cu 0.680958 0.930966 1 337 63.546 0.0332239 -3.56306 63.546000 Cu 0.690539 0.913366 0.5 338 63.546 0.011748 -3.5513 63.546000 Cu 0.609599 0.928222 0.5 339 63.546 0.0176029 -3.55643 63.546000 Cu 0.77957 0.880211 1 312 63.546 0.00189016 -3.53084 63.546000 Cu 0.83931 0.900141 7.19554e-19 313 63.546 0.00609077 -3.52822 63.546000 Cu 0.849476 0.882632 0.5 314 63.546 0.00219986 -3.53308 63.546000 Cu 0.769589 0.897888 0.5 315 63.546 0.00275128 -3.53308 63.546000 Cu 0.919768 0.885143 0 316 63.546 0.000827542 -3.53505 63.546000 Cu 0.979973 0.905106 4.05349e-17 317 63.546 0.00320754 -3.52592 63.546000 Cu 0.990323 0.88776 0.5 318 63.546 0.000820748 -3.53628 63.546000 Cu 0.909551 0.902508 0.5 319 63.546 0.00469413 -3.5248 63.546000 Cu 0.760287 0.915656 1.05055e-16 340 63.546 0.00442408 -3.5404 63.546000 Cu 0.821727 0.935538 4.82101e-17 341 63.546 0.0203738 -3.51339 63.546000 Cu 0.829909 0.917742 0.5 342 63.546 0.00689799 -3.52291 63.546000 Cu 0.752036 0.933411 0.5 343 63.546 0.0222365 -3.55013 63.546000 Cu 0.899488 0.919906 1.64778e-16 344 63.546 0.0235418 -3.50683 63.546000 Cu 0.969162 0.922459 0.5 346 63.546 0.0165276 -3.5112 63.546000 Cu 0.0979215 0.945276 1 349 63.546 0.0316928 -3.54498 63.546000 Cu 0.0263993 0.942712 0.5 351 63.546 0.0440419 -3.54226 63.546000 Cu 0.244448 0.950946 0 353 63.546 0.11164 -3.53773 63.546000 Cu 0.171641 0.948062 0.5 355 63.546 0.0373944 -3.5444 63.546000 Cu 0.0138425 0.959896 1 376 63.546 0.191003 -3.50817 63.546000 Cu 0.0764556 0.978031 1 377 63.546 0.446268 -3.40187 63.546000 Cu 0.0875747 0.962027 0.5 378 63.546 0.0665144 -3.52359 63.546000 Cu 0.00523355 0.977415 0.5 379 63.546 0.19518 -3.50235 63.546000 Cu 0.161157 0.964408 1 380 63.546 0.0593686 -3.4716 63.546000 Cu 0.225032 0.983807 1 381 63.546 9.15489 -3.05219 63.546000 Cu 0.23742 0.967861 0.5 382 63.546 1.02626 -3.35608 63.546000 Cu 0.154914 0.980634 0.5 383 63.546 4.30765 -3.34374 63.546000 Cu 0.00252881 0.99511 1 400 63.546 0.121785 -3.511 63.546000 Cu 0.0721053 0.995119 0.5 401 63.546 0.649945 -3.41534 63.546000 Cu 0.140643 0.995114 1 402 63.546 6.53591 -2.7778 63.546000 Cu 0.356656 0.995125 0 410 63.546 1.96106 -3.67165 63.546000 Cu 0.284055 0.995126 0.5 411 63.546 8.24988 -3.90268 63.546000 Cu 0.389973 0.937657 0.5 358 63.546 0.05788 -3.47912 63.546000 Cu 0.379897 0.956219 9.71398e-17 357 63.546 0.065284 -3.43893 63.546000 Cu 0.314662 0.953628 0.5 359 63.546 0.206775 -3.45988 63.546000 Cu 0.457228 0.940061 1.70294e-17 360 63.546 0.0521316 -3.49732 63.546000 Cu 0.444792 0.958398 0.5 363 63.546 0.148525 -3.50503 63.546000 Cu 0.305852 0.972566 0 384 63.546 0.965761 -3.32718 63.546000 Cu 0.367174 0.976155 0.5 386 63.546 0.503194 -3.46098 63.546000 Cu 0.435063 0.976921 1 388 63.546 0.236464 -3.53615 63.546000 Cu 0.431409 0.995123 0.5 391 63.546 0.238434 -3.53856 63.546000 Cu 0.513842 0.959896 1.91881e-17 361 63.546 0.191003 -3.50817 63.546000 Cu 0.526399 0.942712 0.5 362 63.546 0.0440419 -3.54226 63.546000 Cu 0.597922 0.945276 1.38154e-16 364 63.546 0.0316928 -3.54498 63.546000 Cu 0.661157 0.964408 1 365 63.546 0.0593686 -3.4716 63.546000 Cu 0.671641 0.948062 0.5 366 63.546 0.0373944 -3.5444 63.546000 Cu 0.587575 0.962027 0.5 367 63.546 0.0665144 -3.52359 63.546000 Cu 0.744448 0.950946 1 368 63.546 0.11164 -3.53773 63.546000 Cu 0.73742 0.967861 0.5 371 63.546 1.02626 -3.35608 63.546000 Cu 0.502529 0.99511 1.27121e-17 389 63.546 0.121785 -3.511 63.546000 Cu 0.505234 0.977415 0.5 390 63.546 0.19518 -3.50235 63.546000 Cu 0.576456 0.978031 5.92433e-17 392 63.546 0.446268 -3.40187 63.546000 Cu 0.640643 0.995114 1 393 63.546 6.53591 -2.7778 63.546000 Cu 0.654914 0.980634 0.5 394 63.546 4.30765 -3.34374 63.546000 Cu 0.572105 0.995119 0.5 395 63.546 0.649945 -3.41534 63.546000 Cu 0.725032 0.983807 1 396 63.546 9.15489 -3.05219 63.546000 Cu 0.856656 0.995125 1 403 63.546 1.96106 -3.67165 63.546000 Cu 0.784055 0.995126 0.5 438 63.546 8.24988 -3.90268 63.546000 Cu 0.889973 0.937657 0.5 347 63.546 0.05788 -3.47912 63.546000 Cu 0.957228 0.940061 1 345 63.546 0.0521316 -3.49732 63.546000 Cu 0.805852 0.972566 0 369 63.546 0.965761 -3.32718 63.546000 Cu 0.814662 0.953628 0.5 370 63.546 0.206775 -3.45988 63.546000 Cu 0.879897 0.956219 2.39851e-19 372 63.546 0.065284 -3.43893 63.546000 Cu 0.935063 0.976921 1 373 63.546 0.236464 -3.53615 63.546000 Cu 0.944792 0.958398 0.5 374 63.546 0.148525 -3.50503 63.546000 Cu 0.867174 0.976155 0.5 375 63.546 0.503194 -3.46098 63.546000 Cu 0.931409 0.995123 0.5 399 63.546 0.238434 -3.53856