Number of particles = 796 A = 1 Angstrom (basic length-scale) H0(1,1) = 25.6143 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 102.254 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.6119 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 0.00224201 0.00504909 3.84825e-17 408 63.546 0.168282 -3.53374 63.546000 Cu 0.141328 0.0050878 1 410 63.546 6.42393 -3.21484 63.546000 Cu 0.0727407 0.0050749 0.5 411 63.546 0.482531 -3.50091 63.546000 Cu 0.00549708 0.0228399 0.5 422 63.546 0.164694 -3.52808 63.546000 Cu 0.076483 0.0223746 5.40315e-19 424 63.546 0.341665 -3.50382 63.546000 Cu 0.160672 0.0367698 1 425 63.546 0.0811765 -3.51289 63.546000 Cu 0.153244 0.0203467 0.5 426 63.546 4.45175 -3.46001 63.546000 Cu 0.224068 0.0168262 4.67073e-17 428 63.546 9.0439 -3.31166 63.546000 Cu 0.305507 0.0282526 6.96406e-17 429 63.546 0.933428 -3.43138 63.546000 Cu 0.284394 0.00577953 0.5 430 63.546 8.66086 -3.55614 63.546000 Cu 0.235997 0.0331686 0.5 431 63.546 0.878671 -3.45605 63.546000 Cu 0.355849 0.00487657 2.37739e-17 432 63.546 2.44728 -3.52434 63.546000 Cu 0.435357 0.0233465 1.07463e-17 433 63.546 0.232685 -3.52172 63.546000 Cu 0.430474 0.00499232 0.5 434 63.546 0.398884 -3.52438 63.546000 Cu 0.367605 0.0241696 0.5 435 63.546 0.501036 -3.47406 63.546000 Cu 0.641328 0.0050878 1 403 63.546 6.42393 -3.21484 63.546000 Cu 0.653244 0.0203467 0.5 405 63.546 4.45175 -3.46001 63.546000 Cu 0.660672 0.0367698 3.6021e-19 412 63.546 0.0811765 -3.51289 63.546000 Cu 0.502242 0.00504909 4.67073e-17 436 63.546 0.168282 -3.53374 63.546000 Cu 0.576483 0.0223746 5.40315e-19 437 63.546 0.341665 -3.50382 63.546000 Cu 0.572741 0.0050749 0.5 438 63.546 0.482531 -3.50091 63.546000 Cu 0.505497 0.0228399 0.5 439 63.546 0.164694 -3.52808 63.546000 Cu 0.724068 0.0168262 1.2007e-19 404 63.546 9.0439 -3.31166 63.546000 Cu 0.784394 0.00577953 0.5 407 63.546 8.66086 -3.55614 63.546000 Cu 0.735997 0.0331686 0.5 414 63.546 0.878671 -3.45605 63.546000 Cu 0.805507 0.0282526 5.94947e-17 416 63.546 0.933428 -3.43138 63.546000 Cu 0.855849 0.00487657 7.14417e-18 406 63.546 2.44728 -3.52434 63.546000 Cu 0.930474 0.00499232 0.5 409 63.546 0.398884 -3.52438 63.546000 Cu 0.867605 0.0241696 0.5 418 63.546 0.501036 -3.47406 63.546000 Cu 0.935357 0.0233465 4.67073e-17 420 63.546 0.232685 -3.52172 63.546000 Cu 0.087178 0.0389006 0.5 427 63.546 0.0683332 -3.53825 63.546000 Cu 0.0144281 0.0406907 1.13046e-16 421 63.546 0.148654 -3.52212 63.546000 Cu 0.0386173 0.0756055 4.67073e-17 449 63.546 0.00648493 -3.53453 63.546000 Cu 0.0266171 0.0581527 0.5 450 63.546 0.0411129 -3.53785 63.546000 Cu 0.0976746 0.0558357 4.67073e-17 452 63.546 0.0345379 -3.53632 63.546000 Cu 0.109225 0.0728653 0.5 455 63.546 0.010389 -3.54276 63.546000 Cu 0.180815 0.0701577 7.80455e-19 453 63.546 0.0198407 -3.54398 63.546000 Cu 0.171218 0.0531849 0.5 454 63.546 0.023904 -3.53593 63.546000 Cu 0.244036 0.0501763 4.00434e-17 456 63.546 0.10078 -3.5393 63.546000 Cu 0.32183 0.0651671 3.02577e-17 457 63.546 0.0227921 -3.53401 63.546000 Cu 0.314223 0.0470234 0.5 458 63.546 0.18542 -3.51064 63.546000 Cu 0.252119 0.0675752 0.5 459 63.546 0.0221291 -3.54128 63.546000 Cu 0.380308 0.0443305 4.67073e-17 460 63.546 0.084865 -3.50307 63.546000 Cu 0.457836 0.0605442 3.6021e-19 461 63.546 0.0400858 -3.52543 63.546000 Cu 0.445734 0.0420615 0.5 462 63.546 0.111739 -3.52729 63.546000 Cu 0.390163 0.0628422 0.5 463 63.546 0.0372989 -3.52253 63.546000 Cu 0.587178 0.0389006 0.5 466 63.546 0.0683332 -3.53825 63.546000 Cu 0.514428 0.0406907 5.10298e-18 464 63.546 0.148654 -3.52212 63.546000 Cu 0.597675 0.0558357 7.12016e-17 465 63.546 0.0345379 -3.53632 63.546000 Cu 0.526617 0.0581527 0.5 467 63.546 0.0411129 -3.53785 63.546000 Cu 0.538617 0.0756055 8.34487e-17 493 63.546 0.00648493 -3.53453 63.546000 Cu 0.609225 0.0728653 0.5 495 63.546 0.010389 -3.54276 63.546000 Cu 0.744036 0.0501763 4.67073e-17 413 63.546 0.10078 -3.5393 63.546000 Cu 0.671218 0.0531849 0.5 415 63.546 0.023904 -3.53593 63.546000 Cu 0.814223 0.0470234 0.5 419 63.546 0.18542 -3.51064 63.546000 Cu 0.680815 0.0701577 4.67073e-17 440 63.546 0.0198407 -3.54398 63.546000 Cu 0.752119 0.0675752 0.5 442 63.546 0.0221291 -3.54128 63.546000 Cu 0.82183 0.0651671 8.41091e-17 444 63.546 0.0227921 -3.53401 63.546000 Cu 0.880308 0.0443305 0 417 63.546 0.084865 -3.50307 63.546000 Cu 0.945734 0.0420615 0.5 423 63.546 0.111739 -3.52729 63.546000 Cu 0.890163 0.0628422 0.5 446 63.546 0.0372989 -3.52253 63.546000 Cu 0.957836 0.0605442 4.67073e-17 448 63.546 0.0400858 -3.52543 63.546000 Cu 0.0603059 0.110251 4.67073e-17 478 63.546 0.00145452 -3.54044 63.546000 Cu 0.0498311 0.0929063 0.5 479 63.546 0.0010904 -3.53779 63.546000 Cu 0.12011 0.0901572 4.67073e-17 481 63.546 0.00486457 -3.54164 63.546000 Cu 0.130342 0.107608 0.5 484 63.546 0.00245136 -3.54112 63.546000 Cu 0.200129 0.10508 3.18786e-17 482 63.546 0.00175727 -3.54071 63.546000 Cu 0.190446 0.0875226 0.5 483 63.546 0.0089965 -3.54324 63.546000 Cu 0.260561 0.0851338 4.67073e-17 485 63.546 0.00327542 -3.54016 63.546000 Cu 0.330335 0.0828825 0.5 487 63.546 0.00330418 -3.53534 63.546000 Cu 0.26984 0.102705 0.5 488 63.546 0.000996963 -3.53955 63.546000 Cu 0.339631 0.100425 0 486 63.546 0.00226875 -3.53811 63.546000 Cu 0.399699 0.0806199 1.01159e-16 489 63.546 0.0113631 -3.5298 63.546000 Cu 0.479627 0.0955778 4.67073e-17 490 63.546 0.00271376 -3.53557 63.546000 Cu 0.468997 0.0782022 0.5 491 63.546 0.0123485 -3.53014 63.546000 Cu 0.409601 0.098079 0.5 492 63.546 0.00363509 -3.53646 63.546000 Cu 0.490053 0.11289 0.5 521 63.546 0.000579636 -3.53955 63.546000 Cu 0.62011 0.0901572 1.7176e-16 494 63.546 0.00486457 -3.54164 63.546000 Cu 0.549831 0.0929063 0.5 496 63.546 0.0010904 -3.53779 63.546000 Cu 0.560306 0.110251 6.25565e-17 523 63.546 0.00145452 -3.54044 63.546000 Cu 0.630342 0.107608 0.5 524 63.546 0.00245136 -3.54112 63.546000 Cu 0.760561 0.0851338 1.52549e-16 441 63.546 0.00327542 -3.54016 63.546000 Cu 0.690446 0.0875226 0.5 443 63.546 0.0089965 -3.54324 63.546000 Cu 0.830335 0.0828825 0.5 447 63.546 0.00330418 -3.53534 63.546000 Cu 0.700129 0.10508 1.29436e-16 469 63.546 0.00175727 -3.54071 63.546000 Cu 0.76984 0.102705 0.5 471 63.546 0.000996963 -3.53955 63.546000 Cu 0.899699 0.0806199 7.04211e-17 445 63.546 0.0113631 -3.5298 63.546000 Cu 0.968997 0.0782022 0.5 451 63.546 0.0123485 -3.53014 63.546000 Cu 0.839631 0.100425 4.24448e-17 473 63.546 0.00226875 -3.53811 63.546000 Cu 0.909601 0.098079 0.5 475 63.546 0.00363509 -3.53646 63.546000 Cu 0.979627 0.0955778 2.96573e-17 477 63.546 0.00271376 -3.53557 63.546000 Cu 0.990053 0.11289 0.5 480 63.546 0.000579636 -3.53955 63.546000 Cu 0.000163379 0.130241 0 507 63.546 0.000400859 -3.54074 63.546000 Cu 0.0801718 0.145142 4.67073e-17 508 63.546 0.000272207 -3.54027 63.546000 Cu 0.0703494 0.127679 0.5 509 63.546 0.000944327 -3.54077 63.546000 Cu 0.0101011 0.147652 0.5 510 63.546 0.000293588 -3.54068 63.546000 Cu 0.140268 0.125139 2.42542e-17 511 63.546 0.000696274 -3.54033 63.546000 Cu 0.150088 0.142664 0.5 514 63.546 0.000137537 -3.53966 63.546000 Cu 0.21986 0.140212 7.55241e-17 512 63.546 0.000247369 -3.53923 63.546000 Cu 0.209944 0.122662 0.5 513 63.546 0.000210826 -3.53965 63.546000 Cu 0.279613 0.120261 9.02327e-17 515 63.546 0.000879169 -3.53929 63.546000 Cu 0.289672 0.13776 0.5 518 63.546 0.00048241 -3.53934 63.546000 Cu 0.419702 0.115435 4.67073e-17 519 63.546 0.000804063 -3.53914 63.546000 Cu 0.359655 0.135291 4.94689e-17 516 63.546 0.000417787 -3.53955 63.546000 Cu 0.349514 0.117876 0.5 517 63.546 0.00140376 -3.53913 63.546000 Cu 0.429852 0.132787 0.5 522 63.546 0.000152481 -3.54028 63.546000 Cu 0.369844 0.152708 0.5 546 63.546 5.0002e-05 -3.53967 63.546000 Cu 0.439943 0.150181 4.67073e-17 548 63.546 0.000137207 -3.54036 63.546000 Cu 0.640268 0.125139 1.18629e-16 468 63.546 0.000696274 -3.54033 63.546000 Cu 0.650088 0.142664 0.5 498 63.546 0.000137537 -3.53966 63.546000 Cu 0.500163 0.130241 5.67931e-17 520 63.546 0.000400859 -3.54074 63.546000 Cu 0.570349 0.127679 0.5 525 63.546 0.000944327 -3.54077 63.546000 Cu 0.510101 0.147652 0.5 550 63.546 0.000293588 -3.54068 63.546000 Cu 0.580172 0.145142 1.25954e-16 552 63.546 0.000272207 -3.54027 63.546000 Cu 0.779613 0.120261 6.32769e-17 470 63.546 0.000879169 -3.53929 63.546000 Cu 0.709944 0.122662 0.5 472 63.546 0.000210826 -3.53965 63.546000 Cu 0.71986 0.140212 4.9709e-17 499 63.546 0.000247369 -3.53923 63.546000 Cu 0.789672 0.13776 0.5 501 63.546 0.00048241 -3.53934 63.546000 Cu 0.919702 0.115435 4.67073e-17 474 63.546 0.000804063 -3.53914 63.546000 Cu 0.849514 0.117876 0.5 476 63.546 0.00140376 -3.53913 63.546000 Cu 0.859655 0.135291 4.6347e-17 503 63.546 0.000417787 -3.53955 63.546000 Cu 0.939943 0.150181 3.69816e-17 504 63.546 0.000137207 -3.54036 63.546000 Cu 0.929852 0.132787 0.5 505 63.546 0.000152481 -3.54028 63.546000 Cu 0.869844 0.152708 0.5 506 63.546 5.0002e-05 -3.53967 63.546000 Cu 0.0200104 0.16511 5.52322e-17 536 63.546 0.000128695 -3.54059 63.546000 Cu 0.0999243 0.180115 4.67073e-17 537 63.546 2.00886e-05 -3.53991 63.546000 Cu 0.0899898 0.162628 0.5 538 63.546 4.25074e-05 -3.54027 63.546000 Cu 0.0299646 0.182598 0.5 539 63.546 7.99768e-06 -3.54018 63.546000 Cu 0.159932 0.160165 2.4014e-19 540 63.546 7.76677e-05 -3.53961 63.546000 Cu 0.239896 0.175153 4.67073e-17 541 63.546 3.65791e-05 -3.53929 63.546000 Cu 0.229869 0.1577 0.5 542 63.546 0.000174476 -3.5391 63.546000 Cu 0.169893 0.177637 0.5 543 63.546 4.34069e-05 -3.53953 63.546000 Cu 0.299818 0.155219 7.35429e-17 544 63.546 0.000148947 -3.53923 63.546000 Cu 0.309924 0.172654 0.5 547 63.546 1.81363e-05 -3.53934 63.546000 Cu 0.319975 0.190101 2.43022e-16 572 63.546 2.41636e-05 -3.54028 63.546000 Cu 0.379963 0.170139 1.52489e-17 545 63.546 3.89237e-05 -3.53974 63.546000 Cu 0.449996 0.167618 0.5 551 63.546 0.000112117 -3.54029 63.546000 Cu 0.390004 0.187593 0.5 574 63.546 3.95315e-05 -3.5403 63.546000 Cu 0.460004 0.18509 4.67073e-17 576 63.546 3.15235e-05 -3.54026 63.546000 Cu 0.659932 0.160165 2.0592e-17 497 63.546 7.76677e-05 -3.53961 63.546000 Cu 0.52001 0.16511 1.57892e-17 549 63.546 0.000128695 -3.54059 63.546000 Cu 0.58999 0.162628 0.5 553 63.546 4.25074e-05 -3.54027 63.546000 Cu 0.529965 0.182598 0.5 578 63.546 7.99768e-06 -3.54018 63.546000 Cu 0.599924 0.180115 4.67073e-17 580 63.546 2.00886e-05 -3.53991 63.546000 Cu 0.799818 0.155219 1.80105e-19 500 63.546 0.000148947 -3.53923 63.546000 Cu 0.729869 0.1577 0.5 502 63.546 0.000174476 -3.5391 63.546000 Cu 0.669893 0.177637 0.5 527 63.546 4.34069e-05 -3.53953 63.546000 Cu 0.739896 0.175153 1.97515e-17 528 63.546 3.65791e-05 -3.53929 63.546000 Cu 0.819975 0.190101 5.28308e-18 529 63.546 2.41636e-05 -3.54028 63.546000 Cu 0.809924 0.172654 0.5 530 63.546 1.81363e-05 -3.53934 63.546000 Cu 0.879963 0.170139 1.58492e-17 532 63.546 3.89237e-05 -3.53974 63.546000 Cu 0.960004 0.18509 7.73852e-17 533 63.546 3.15235e-05 -3.54026 63.546000 Cu 0.949996 0.167618 0.5 534 63.546 0.000112117 -3.54029 63.546000 Cu 0.890004 0.187593 0.5 535 63.546 3.95315e-05 -3.5403 63.546000 Cu 0.0399561 0.200082 4.67073e-17 564 63.546 3.18978e-06 -3.53999 63.546000 Cu 0.119957 0.215072 4.67073e-17 565 63.546 5.16449e-06 -3.54002 63.546000 Cu 0.109927 0.197593 0.5 566 63.546 8.95586e-06 -3.54 63.546000 Cu 0.0499675 0.217564 0.5 567 63.546 4.84044e-06 -3.53996 63.546000 Cu 0.17992 0.195102 2.68957e-17 568 63.546 1.24364e-05 -3.54007 63.546000 Cu 0.259975 0.210077 9.98983e-17 569 63.546 2.4457e-06 -3.54039 63.546000 Cu 0.249936 0.192605 0.5 570 63.546 1.47185e-05 -3.5402 63.546000 Cu 0.18996 0.212577 0.5 571 63.546 3.36837e-06 -3.54019 63.546000 Cu 0.329994 0.207573 0.5 575 63.546 5.12347e-06 -3.5405 63.546000 Cu 0.199984 0.230046 6.0035e-20 598 63.546 4.96775e-07 -3.53987 63.546000 Cu 0.269989 0.227548 0.5 600 63.546 9.54925e-07 -3.53997 63.546000 Cu 0.4 0.205071 5.4752e-17 573 63.546 5.74448e-06 -3.54041 63.546000 Cu 0.469985 0.202573 0.5 579 63.546 2.67988e-06 -3.54018 63.546000 Cu 0.339993 0.22505 3.39798e-17 602 63.546 1.32366e-06 -3.54006 63.546000 Cu 0.409992 0.222552 0.5 604 63.546 1.66233e-06 -3.54007 63.546000 Cu 0.479981 0.220057 6.0035e-20 606 63.546 2.96524e-06 -3.54002 63.546000 Cu 0.539956 0.200082 4.67073e-17 577 63.546 3.18978e-06 -3.53999 63.546000 Cu 0.609927 0.197593 0.5 581 63.546 8.95586e-06 -3.54 63.546000 Cu 0.549967 0.217564 0.5 608 63.546 4.84044e-06 -3.53996 63.546000 Cu 0.619957 0.215072 5.03094e-17 610 63.546 5.16449e-06 -3.54002 63.546000 Cu 0.67992 0.195102 4.67073e-17 526 63.546 1.24364e-05 -3.54007 63.546000 Cu 0.749936 0.192605 0.5 531 63.546 1.47185e-05 -3.5402 63.546000 Cu 0.699984 0.230046 4.67073e-17 554 63.546 4.96775e-07 -3.53987 63.546000 Cu 0.68996 0.212577 0.5 555 63.546 3.36837e-06 -3.54019 63.546000 Cu 0.759975 0.210077 5.60727e-17 556 63.546 2.4457e-06 -3.54039 63.546000 Cu 0.829994 0.207573 0.5 558 63.546 5.12347e-06 -3.5405 63.546000 Cu 0.769989 0.227548 0.5 559 63.546 9.54925e-07 -3.53997 63.546000 Cu 0.839993 0.22505 1.5399e-16 557 63.546 1.32366e-06 -3.54006 63.546000 Cu 0.9 0.205071 4.67073e-17 560 63.546 5.74448e-06 -3.54041 63.546000 Cu 0.979981 0.220057 2.25732e-17 561 63.546 2.96524e-06 -3.54002 63.546000 Cu 0.969985 0.202573 0.5 562 63.546 2.67988e-06 -3.54018 63.546000 Cu 0.909992 0.222552 0.5 563 63.546 1.66233e-06 -3.54007 63.546000 Cu 9.26444e-06 0.255005 8.88519e-18 591 63.546 3.08613e-07 -3.53986 63.546000 Cu 0.0599863 0.235038 5.36113e-17 594 63.546 2.47963e-07 -3.53985 63.546000 Cu 0.140001 0.250015 1.80105e-19 595 63.546 1.77959e-07 -3.53996 63.546000 Cu 0.129983 0.232543 0.5 596 63.546 3.03624e-07 -3.53983 63.546000 Cu 0.0700046 0.25251 0.5 597 63.546 1.61915e-07 -3.53992 63.546000 Cu 0.15001 0.267488 0.5 626 63.546 4.9176e-07 -3.53988 63.546000 Cu 0.279998 0.245021 7.70249e-17 599 63.546 7.6196e-08 -3.54 63.546000 Cu 0.209999 0.247518 0.5 601 63.546 9.1789e-08 -3.53999 63.546000 Cu 0.220007 0.264991 4.67073e-17 628 63.546 4.74147e-07 -3.53988 63.546000 Cu 0.290009 0.262494 0.5 630 63.546 6.78125e-07 -3.53985 63.546000 Cu 0.419996 0.240028 4.67073e-17 603 63.546 5.02626e-07 -3.53996 63.546000 Cu 0.349998 0.242524 0.5 605 63.546 3.32677e-07 -3.53999 63.546000 Cu 0.489992 0.237532 0.5 609 63.546 3.16546e-07 -3.5399 63.546000 Cu 0.360012 0.259997 2.28133e-18 632 63.546 7.43851e-07 -3.53982 63.546000 Cu 0.430012 0.257501 0.5 634 63.546 5.95711e-07 -3.53982 63.546000 Cu 0.640001 0.250015 1.28835e-16 582 63.546 1.77959e-07 -3.53996 63.546000 Cu 0.65001 0.267488 0.5 585 63.546 4.9176e-07 -3.53988 63.546000 Cu 0.559986 0.235038 4.67073e-17 607 63.546 2.47963e-07 -3.53985 63.546000 Cu 0.629983 0.232543 0.5 611 63.546 3.03624e-07 -3.53983 63.546000 Cu 0.500009 0.255005 4.67073e-17 636 63.546 3.08613e-07 -3.53986 63.546000 Cu 0.570005 0.25251 0.5 638 63.546 1.61915e-07 -3.53992 63.546000 Cu 0.720007 0.264991 2.38339e-17 583 63.546 4.74147e-07 -3.53988 63.546000 Cu 0.709999 0.247518 0.5 584 63.546 9.1789e-08 -3.53999 63.546000 Cu 0.779998 0.245021 4.60469e-17 586 63.546 7.6196e-08 -3.54 63.546000 Cu 0.790009 0.262494 0.5 589 63.546 6.78125e-07 -3.53985 63.546000 Cu 0.860012 0.259997 4.67073e-17 587 63.546 7.43851e-07 -3.53982 63.546000 Cu 0.849998 0.242524 0.5 588 63.546 3.32677e-07 -3.53999 63.546000 Cu 0.919996 0.240028 4.67073e-17 590 63.546 5.02626e-07 -3.53996 63.546000 Cu 0.989992 0.237532 0.5 592 63.546 3.16546e-07 -3.5399 63.546000 Cu 0.930012 0.257501 0.5 593 63.546 5.95711e-07 -3.53982 63.546000 Cu 0.0200371 0.289953 1.49487e-17 621 63.546 1.86846e-06 -3.54023 63.546000 Cu 0.0100272 0.272476 0.5 622 63.546 1.9539e-06 -3.53983 63.546000 Cu 0.0800171 0.269983 4.67073e-17 624 63.546 1.02854e-06 -3.53985 63.546000 Cu 0.160008 0.284963 2.4014e-19 625 63.546 2.71435e-06 -3.54047 63.546000 Cu 0.0900183 0.28746 0.5 627 63.546 1.27955e-06 -3.54038 63.546000 Cu 0.0300326 0.307436 0.5 650 63.546 1.19027e-05 -3.54017 63.546000 Cu 0.100013 0.304942 4.71875e-17 652 63.546 3.50805e-05 -3.54026 63.546000 Cu 0.300025 0.279962 4.67073e-17 629 63.546 2.52791e-06 -3.54024 63.546000 Cu 0.230013 0.282463 0.5 631 63.546 2.96552e-06 -3.54042 63.546000 Cu 0.170019 0.302441 0.5 654 63.546 3.73496e-05 -3.5403 63.546000 Cu 0.240038 0.299938 4.67073e-17 656 63.546 2.16846e-05 -3.5403 63.546000 Cu 0.310058 0.297436 0.5 658 63.546 8.95308e-06 -3.54025 63.546000 Cu 0.440035 0.274969 3.6021e-19 633 63.546 2.73769e-06 -3.53989 63.546000 Cu 0.370035 0.277464 0.5 635 63.546 2.88194e-06 -3.54004 63.546000 Cu 0.380064 0.294938 2.4014e-19 660 63.546 4.29863e-06 -3.54017 63.546000 Cu 0.450056 0.292445 0.5 662 63.546 3.46327e-06 -3.54015 63.546000 Cu 0.660008 0.284963 0 612 63.546 2.71435e-06 -3.54047 63.546000 Cu 0.580017 0.269983 3.52406e-17 637 63.546 1.02854e-06 -3.53985 63.546000 Cu 0.510027 0.272476 0.5 639 63.546 1.9539e-06 -3.53983 63.546000 Cu 0.520037 0.289953 5.40315e-19 664 63.546 1.86846e-06 -3.54023 63.546000 Cu 0.600013 0.304942 1.08063e-17 665 63.546 3.50805e-05 -3.54026 63.546000 Cu 0.590018 0.28746 0.5 666 63.546 1.27955e-06 -3.54038 63.546000 Cu 0.530033 0.307436 0.5 667 63.546 1.19027e-05 -3.54017 63.546000 Cu 0.740038 0.299938 5.08497e-17 613 63.546 2.16846e-05 -3.5403 63.546000 Cu 0.730013 0.282463 0.5 614 63.546 2.96552e-06 -3.54042 63.546000 Cu 0.670019 0.302441 0.5 615 63.546 3.73496e-05 -3.5403 63.546000 Cu 0.800025 0.279962 4.67073e-17 616 63.546 2.52791e-06 -3.54024 63.546000 Cu 0.810058 0.297436 0.5 619 63.546 8.95308e-06 -3.54025 63.546000 Cu 0.880064 0.294938 4.67073e-17 617 63.546 4.29863e-06 -3.54017 63.546000 Cu 0.870035 0.277464 0.5 618 63.546 2.88194e-06 -3.54004 63.546000 Cu 0.940035 0.274969 4.67073e-17 620 63.546 2.73769e-06 -3.53989 63.546000 Cu 0.950056 0.292445 0.5 623 63.546 3.46327e-06 -3.54015 63.546000 Cu 0.0400159 0.324907 1.09864e-16 649 63.546 4.39253e-05 -3.53989 63.546000 Cu 0.110015 0.3224 0.5 655 63.546 3.28463e-05 -3.53964 63.546000 Cu 0.0500252 0.342363 0.5 679 63.546 7.58825e-05 -3.54029 63.546000 Cu 0.120064 0.339842 4.67073e-17 681 63.546 1.84477e-05 -3.54005 63.546000 Cu 0.180047 0.319891 4.67073e-17 653 63.546 9.44272e-06 -3.53947 63.546000 Cu 0.320102 0.314895 4.67073e-17 657 63.546 1.79927e-05 -3.5396 63.546000 Cu 0.250082 0.317389 0.5 659 63.546 9.24782e-06 -3.53947 63.546000 Cu 0.1901 0.337326 0.5 683 63.546 2.85476e-05 -3.53976 63.546000 Cu 0.260132 0.334829 2.08322e-17 685 63.546 6.08106e-05 -3.53964 63.546000 Cu 0.330134 0.332351 0.5 687 63.546 5.88655e-05 -3.53972 63.546000 Cu 0.460065 0.309923 4.67073e-17 661 63.546 4.45758e-06 -3.54002 63.546000 Cu 0.390094 0.312408 0.5 663 63.546 1.41456e-05 -3.5398 63.546000 Cu 0.400105 0.32988 5.93146e-17 689 63.546 3.00937e-05 -3.53992 63.546000 Cu 0.480002 0.344874 1.77103e-17 690 63.546 0.000109927 -3.54031 63.546000 Cu 0.470052 0.327402 0.5 691 63.546 2.23713e-05 -3.54001 63.546000 Cu 0.540016 0.324907 2.94772e-17 693 63.546 4.39253e-05 -3.53989 63.546000 Cu 0.620064 0.339842 7.50438e-17 694 63.546 1.84477e-05 -3.54005 63.546000 Cu 0.610015 0.3224 0.5 695 63.546 3.28463e-05 -3.53964 63.546000 Cu 0.550025 0.342363 0.5 696 63.546 7.58825e-05 -3.54029 63.546000 Cu 0.680047 0.319891 1.32978e-16 640 63.546 9.44272e-06 -3.53947 63.546000 Cu 0.760132 0.334829 4.67073e-17 641 63.546 6.08106e-05 -3.53964 63.546000 Cu 0.750082 0.317389 0.5 642 63.546 9.24782e-06 -3.53947 63.546000 Cu 0.6901 0.337326 0.5 643 63.546 2.85476e-05 -3.53976 63.546000 Cu 0.820102 0.314895 4.67073e-17 644 63.546 1.79927e-05 -3.5396 63.546000 Cu 0.830134 0.332351 0.5 647 63.546 5.88655e-05 -3.53972 63.546000 Cu 0.900105 0.32988 4.67073e-17 645 63.546 3.00937e-05 -3.53992 63.546000 Cu 0.890094 0.312408 0.5 646 63.546 1.41456e-05 -3.5398 63.546000 Cu 0.960065 0.309923 4.58668e-17 648 63.546 4.45758e-06 -3.54002 63.546000 Cu 0.970052 0.327402 0.5 651 63.546 2.23713e-05 -3.54001 63.546000 Cu 0.980002 0.344874 8.29684e-17 677 63.546 0.000109927 -3.54031 63.546000 Cu 0.0600566 0.359797 1.25473e-16 678 63.546 0.000136092 -3.5406 63.546000 Cu 0.130186 0.357273 0.5 684 63.546 6.83544e-05 -3.54008 63.546000 Cu 0.0701552 0.377186 0.5 709 63.546 0.000133654 -3.54025 63.546000 Cu 0.140373 0.374682 5.60727e-17 711 63.546 0.000443991 -3.53968 63.546000 Cu 0.200217 0.354767 4.74277e-18 682 63.546 0.000126473 -3.53953 63.546000 Cu 0.270166 0.352285 0.5 688 63.546 0.000162185 -3.53943 63.546000 Cu 0.210357 0.372216 0.5 713 63.546 0.000490213 -3.539 63.546000 Cu 0.280161 0.369771 9.14334e-17 715 63.546 0.000187561 -3.53904 63.546000 Cu 0.340081 0.349823 4.67073e-17 686 63.546 5.80194e-05 -3.53966 63.546000 Cu 0.410014 0.347359 0.5 692 63.546 4.61778e-05 -3.54011 63.546000 Cu 0.349928 0.367316 0.5 717 63.546 0.000128983 -3.53964 63.546000 Cu 0.41984 0.364833 2.4014e-19 719 63.546 0.000255759 -3.54048 63.546000 Cu 0.489912 0.362323 0.5 721 63.546 0.000249302 -3.54076 63.546000 Cu 0.429679 0.382296 0.5 722 63.546 0.000982931 -3.54078 63.546000 Cu 0.499863 0.37973 1.80105e-19 720 63.546 0.000413858 -3.54066 63.546000 Cu 0.640373 0.374682 5.145e-17 668 63.546 0.000443991 -3.53968 63.546000 Cu 0.560057 0.359797 1.50088e-17 723 63.546 0.000136092 -3.5406 63.546000 Cu 0.630186 0.357273 0.5 724 63.546 6.83544e-05 -3.54008 63.546000 Cu 0.570155 0.377186 0.5 725 63.546 0.000133654 -3.54025 63.546000 Cu 0.700217 0.354767 4.67073e-17 669 63.546 0.000126473 -3.53953 63.546000 Cu 0.780161 0.369771 4.67073e-17 670 63.546 0.000187561 -3.53904 63.546000 Cu 0.770166 0.352285 0.5 671 63.546 0.000162185 -3.53943 63.546000 Cu 0.710357 0.372216 0.5 672 63.546 0.000490213 -3.539 63.546000 Cu 0.999863 0.37973 1.50088e-18 707 63.546 0.000413858 -3.54066 63.546000 Cu 0.840081 0.349823 4.67073e-17 673 63.546 5.80194e-05 -3.53966 63.546000 Cu 0.91984 0.364833 1.56932e-16 674 63.546 0.000255759 -3.54048 63.546000 Cu 0.910014 0.347359 0.5 675 63.546 4.61778e-05 -3.54011 63.546000 Cu 0.849928 0.367316 0.5 676 63.546 0.000128983 -3.53964 63.546000 Cu 0.989912 0.362323 0.5 680 63.546 0.000249302 -3.54076 63.546000 Cu 0.929679 0.382296 0.5 705 63.546 0.000982931 -3.54078 63.546000 Cu 0.0803338 0.394532 1.08543e-16 708 63.546 0.000860854 -3.53906 63.546000 Cu 0.0100155 0.397074 0.5 710 63.546 0.000498387 -3.53938 63.546000 Cu 0.150516 0.392094 0.5 714 63.546 0.00138086 -3.53911 63.546000 Cu 0.0204312 0.414382 4.67073e-17 736 63.546 0.00273821 -3.5357 63.546000 Cu 0.0904635 0.411888 0.5 738 63.546 0.00349495 -3.53635 63.546000 Cu 0.160356 0.409541 4.23847e-17 740 63.546 0.00189808 -3.53741 63.546000 Cu 0.220395 0.389709 7.29426e-17 712 63.546 0.000740198 -3.53897 63.546000 Cu 0.29007 0.387305 0.5 718 63.546 0.000180872 -3.53932 63.546000 Cu 0.23016 0.407246 0.5 742 63.546 0.000830103 -3.53989 63.546000 Cu 0.299901 0.404874 2.82165e-18 744 63.546 0.00164758 -3.54098 63.546000 Cu 0.309611 0.42243 0.5 747 63.546 0.00902009 -3.54372 63.546000 Cu 0.359771 0.384834 4.67073e-17 716 63.546 0.000654732 -3.54 63.546000 Cu 0.379944 0.419796 5.54123e-17 745 63.546 0.00488459 -3.54208 63.546000 Cu 0.369696 0.402347 0.5 746 63.546 0.00238358 -3.54107 63.546000 Cu 0.439739 0.399709 1.77704e-16 748 63.546 0.00144089 -3.54039 63.546000 Cu 0.45027 0.417049 0.5 751 63.546 0.000920489 -3.53802 63.546000 Cu 0.660356 0.409541 4.67073e-17 697 63.546 0.00189808 -3.53741 63.546000 Cu 0.650516 0.392094 0.5 698 63.546 0.00138086 -3.53911 63.546000 Cu 0.520431 0.414382 9.33545e-17 749 63.546 0.00273821 -3.5357 63.546000 Cu 0.510015 0.397074 0.5 750 63.546 0.000498387 -3.53938 63.546000 Cu 0.580334 0.394532 6.24965e-17 752 63.546 0.000860854 -3.53906 63.546000 Cu 0.590463 0.411888 0.5 753 63.546 0.00349495 -3.53635 63.546000 Cu 0.720395 0.389709 0 699 63.546 0.000740198 -3.53897 63.546000 Cu 0.799901 0.404874 9.27541e-17 700 63.546 0.00164758 -3.54098 63.546000 Cu 0.79007 0.387305 0.5 701 63.546 0.000180872 -3.53932 63.546000 Cu 0.73016 0.407246 0.5 702 63.546 0.000830103 -3.53989 63.546000 Cu 0.809611 0.42243 0.5 730 63.546 0.00902009 -3.54372 63.546000 Cu 0.859771 0.384834 3.48203e-17 703 63.546 0.000654732 -3.54 63.546000 Cu 0.939739 0.399709 3.31994e-17 704 63.546 0.00144089 -3.54039 63.546000 Cu 0.869696 0.402347 0.5 706 63.546 0.00238358 -3.54107 63.546000 Cu 0.879944 0.419796 5.40315e-17 732 63.546 0.00488459 -3.54208 63.546000 Cu 0.95027 0.417049 0.5 734 63.546 0.000920489 -3.53802 63.546000 Cu 0.100374 0.429342 9.85775e-17 737 63.546 0.0112683 -3.53019 63.546000 Cu 0.031022 0.431762 0.5 739 63.546 0.01193 -3.53011 63.546000 Cu 0.0422487 0.449413 4.67073e-17 764 63.546 0.0397 -3.52543 63.546000 Cu 0.109891 0.447122 0.5 766 63.546 0.0362512 -3.52208 63.546000 Cu 0.23945 0.424821 9.97782e-17 741 63.546 0.00319742 -3.54105 63.546000 Cu 0.169691 0.427074 0.5 743 63.546 0.00331309 -3.53509 63.546000 Cu 0.178225 0.444785 4.67073e-17 768 63.546 0.0224177 -3.53376 63.546000 Cu 0.256068 0.459756 1.14667e-17 769 63.546 0.100302 -3.53964 63.546000 Cu 0.247951 0.442375 0.5 770 63.546 0.0222763 -3.54119 63.546000 Cu 0.319273 0.439788 4.8028e-18 772 63.546 0.0195244 -3.54351 63.546000 Cu 0.328876 0.456748 0.5 775 63.546 0.024013 -3.53565 63.546000 Cu 0.4024 0.454102 1.98956e-16 773 63.546 0.034482 -3.53629 63.546000 Cu 0.390839 0.437079 0.5 774 63.546 0.00998257 -3.54257 63.546000 Cu 0.461475 0.434347 1.67498e-17 776 63.546 0.00681173 -3.5339 63.546000 Cu 0.473447 0.451787 0.5 779 63.546 0.0408559 -3.53797 63.546000 Cu 0.542249 0.449413 7.14417e-18 777 63.546 0.0397 -3.52543 63.546000 Cu 0.531022 0.431762 0.5 778 63.546 0.01193 -3.53011 63.546000 Cu 0.600374 0.429342 2.4014e-19 780 63.546 0.0112683 -3.53019 63.546000 Cu 0.609891 0.447122 0.5 781 63.546 0.0362512 -3.52208 63.546000 Cu 0.678225 0.444785 6.66389e-17 726 63.546 0.0224177 -3.53376 63.546000 Cu 0.669691 0.427074 0.5 727 63.546 0.00331309 -3.53509 63.546000 Cu 0.73945 0.424821 1.0326e-16 728 63.546 0.00319742 -3.54105 63.546000 Cu 0.819273 0.439788 3.69215e-17 729 63.546 0.0195244 -3.54351 63.546000 Cu 0.747951 0.442375 0.5 731 63.546 0.0222763 -3.54119 63.546000 Cu 0.756068 0.459756 4.67073e-17 756 63.546 0.100302 -3.53964 63.546000 Cu 0.828876 0.456748 0.5 758 63.546 0.024013 -3.53565 63.546000 Cu 0.961475 0.434347 1.42343e-16 733 63.546 0.00681173 -3.5339 63.546000 Cu 0.890839 0.437079 0.5 735 63.546 0.00998257 -3.54257 63.546000 Cu 0.9024 0.454102 4.67073e-17 760 63.546 0.034482 -3.53629 63.546000 Cu 0.973447 0.451787 0.5 762 63.546 0.0408559 -3.53797 63.546000 Cu 0.11972 0.465615 5.73335e-17 765 63.546 0.0842885 -3.50258 63.546000 Cu 0.0543389 0.467887 0.5 767 63.546 0.111343 -3.5271 63.546000 Cu 0.0646146 0.48658 4.67073e-17 788 63.546 0.228122 -3.52246 63.546000 Cu 0.132447 0.485751 0.5 790 63.546 0.493304 -3.47616 63.546000 Cu 0.185808 0.462909 0.5 771 63.546 0.187084 -3.51185 63.546000 Cu 0.194639 0.481689 4.67073e-17 791 63.546 0.902906 -3.43278 63.546000 Cu 0.276086 0.493061 2.99575e-17 792 63.546 9.01362 -3.31052 63.546000 Cu 0.264102 0.476764 0.5 793 63.546 0.860056 -3.45577 63.546000 Cu 0.494459 0.487111 0.5 16 63.546 0.15828 -3.52824 63.546000 Cu 0.485633 0.469264 1.01279e-16 395 63.546 0.147199 -3.52286 63.546000 Cu 0.346877 0.489582 0.5 401 63.546 4.4229 -3.46233 63.546000 Cu 0.412931 0.47104 0.5 402 63.546 0.0693228 -3.53809 63.546000 Cu 0.339446 0.473153 4.8028e-19 795 63.546 0.0833541 -3.51242 63.546000 Cu 0.423512 0.48757 4.67073e-17 796 63.546 0.334166 -3.50428 63.546000 Cu 0.632447 0.485751 0.5 4 63.546 0.493304 -3.47616 63.546000 Cu 0.61972 0.465615 3.31393e-17 7 63.546 0.0842885 -3.50258 63.546000 Cu 0.554339 0.467887 0.5 18 63.546 0.111343 -3.5271 63.546000 Cu 0.564615 0.48658 6.0035e-20 393 63.546 0.228122 -3.52246 63.546000 Cu 0.694639 0.481689 2.4014e-19 754 63.546 0.902906 -3.43278 63.546000 Cu 0.685808 0.462909 0.5 755 63.546 0.187084 -3.51185 63.546000 Cu 0.764102 0.476764 0.5 759 63.546 0.860056 -3.45577 63.546000 Cu 0.776086 0.493061 4.20245e-19 784 63.546 9.01362 -3.31052 63.546000 Cu 0.839446 0.473153 4.67073e-17 757 63.546 0.0833541 -3.51242 63.546000 Cu 0.985633 0.469264 4.67073e-17 761 63.546 0.147199 -3.52286 63.546000 Cu 0.912931 0.47104 0.5 763 63.546 0.0693228 -3.53809 63.546000 Cu 0.846877 0.489582 0.5 785 63.546 4.4229 -3.46233 63.546000 Cu 0.923512 0.48757 9.60561e-19 786 63.546 0.334166 -3.50428 63.546000 Cu 0.994459 0.487111 0.5 787 63.546 0.15828 -3.52824 63.546000 Cu 0.0695681 0.504941 0.5 5 63.546 0.405688 -3.52417 63.546000 Cu 0.064035 0.523297 1.2007e-19 28 63.546 0.200585 -3.52138 63.546000 Cu 0.131996 0.524161 0.5 30 63.546 0.555152 -3.47166 63.546000 Cu 0.144191 0.505062 1.2007e-19 789 63.546 2.46788 -3.52441 63.546000 Cu 0.215614 0.504026 0.5 794 63.546 8.6719 -3.55648 63.546000 Cu 0.273838 0.516213 4.67073e-17 6 63.546 9.40982 -3.33198 63.546000 Cu 0.194056 0.528329 2.5695e-17 32 63.546 1.25783 -3.41032 63.546000 Cu 0.263286 0.532794 0.5 34 63.546 1.10087 -3.45187 63.546000 Cu 0.34556 0.519952 0.5 8 63.546 4.67865 -3.45515 63.546000 Cu 0.358727 0.504884 1 9 63.546 6.40684 -3.21477 63.546000 Cu 0.423124 0.522169 1.84308e-17 10 63.546 0.382382 -3.49937 63.546000 Cu 0.427218 0.504891 0.5 11 63.546 0.48176 -3.50025 63.546000 Cu 0.494129 0.522683 0.5 15 63.546 0.163623 -3.52728 63.546000 Cu 0.338318 0.53633 4.67073e-17 36 63.546 0.0638649 -3.51552 63.546000 Cu 0.497731 0.504881 3.86626e-17 12 63.546 0.168173 -3.53426 63.546000 Cu 0.564035 0.523297 4.08238e-18 13 63.546 0.200585 -3.52138 63.546000 Cu 0.569568 0.504941 0.5 14 63.546 0.405688 -3.52417 63.546000 Cu 0.631996 0.524161 0.5 19 63.546 0.555152 -3.47166 63.546000 Cu 0.644191 0.505062 8.03869e-17 782 63.546 2.46788 -3.52441 63.546000 Cu 0.715614 0.504026 0.5 783 63.546 8.6719 -3.55648 63.546000 Cu 0.694056 0.528329 5.40315e-19 17 63.546 1.25783 -3.41032 63.546000 Cu 0.773838 0.516213 4.67073e-17 20 63.546 9.40982 -3.33198 63.546000 Cu 0.763286 0.532794 0.5 23 63.546 1.10087 -3.45187 63.546000 Cu 0.997731 0.504881 4.67073e-17 2 63.546 0.168173 -3.53426 63.546000 Cu 0.858727 0.504884 1 1 63.546 6.40684 -3.21477 63.546000 Cu 0.927218 0.504891 0.5 3 63.546 0.48176 -3.50025 63.546000 Cu 0.838318 0.53633 1 21 63.546 0.0638649 -3.51552 63.546000 Cu 0.84556 0.519952 0.5 22 63.546 4.67865 -3.45515 63.546000 Cu 0.923124 0.522169 4.67073e-17 24 63.546 0.382382 -3.49937 63.546000 Cu 0.994129 0.522683 0.5 26 63.546 0.163623 -3.52728 63.546000 Cu 0.119156 0.544269 0 29 63.546 0.0899989 -3.50525 63.546000 Cu 0.0537046 0.541971 0.5 31 63.546 0.106147 -3.52726 63.546000 Cu 0.0416976 0.560386 1.04461e-17 56 63.546 0.0411393 -3.52464 63.546000 Cu 0.109541 0.56271 0.5 58 63.546 0.0362256 -3.5232 63.546000 Cu 0.255668 0.549923 8.06871e-17 33 63.546 0.0783272 -3.53964 63.546000 Cu 0.18554 0.546941 0.5 35 63.546 0.164091 -3.5055 63.546000 Cu 0.328181 0.55284 0.5 37 63.546 0.0238606 -3.53666 63.546000 Cu 0.177977 0.565007 0 60 63.546 0.0181079 -3.53391 63.546000 Cu 0.247662 0.567356 0.5 62 63.546 0.0179502 -3.54084 63.546000 Cu 0.318881 0.569893 2.4014e-19 64 63.546 0.0183639 -3.54425 63.546000 Cu 0.412038 0.538602 0.5 39 63.546 0.0658416 -3.53835 63.546000 Cu 0.40161 0.555493 3.6021e-19 38 63.546 0.0291444 -3.53778 63.546000 Cu 0.485054 0.540516 1.48287e-17 40 63.546 0.155259 -3.52088 63.546000 Cu 0.472778 0.557899 0.5 43 63.546 0.0373845 -3.5382 63.546000 Cu 0.390298 0.57257 0.5 67 63.546 0.0108318 -3.54364 63.546000 Cu 0.460843 0.575333 1.2007e-19 68 63.546 0.00412355 -3.53573 63.546000 Cu 0.541698 0.560386 7.04811e-17 41 63.546 0.0411393 -3.52464 63.546000 Cu 0.553705 0.541971 0.5 42 63.546 0.106147 -3.52726 63.546000 Cu 0.619156 0.544269 2.12524e-17 44 63.546 0.0899989 -3.50525 63.546000 Cu 0.609541 0.56271 0.5 47 63.546 0.0362256 -3.5232 63.546000 Cu 0.677977 0.565007 1.78304e-17 45 63.546 0.0181079 -3.53391 63.546000 Cu 0.68554 0.546941 0.5 46 63.546 0.164091 -3.5055 63.546000 Cu 0.755668 0.549923 2.47945e-17 48 63.546 0.0783272 -3.53964 63.546000 Cu 0.818881 0.569893 1.80105e-19 49 63.546 0.0183639 -3.54425 63.546000 Cu 0.828181 0.55284 0.5 50 63.546 0.0238606 -3.53666 63.546000 Cu 0.747662 0.567356 0.5 51 63.546 0.0179502 -3.54084 63.546000 Cu 0.912038 0.538602 0.5 27 63.546 0.0658416 -3.53835 63.546000 Cu 0.985054 0.540516 3.6021e-19 25 63.546 0.155259 -3.52088 63.546000 Cu 0.90161 0.555493 4.67073e-17 52 63.546 0.0291444 -3.53778 63.546000 Cu 0.960843 0.575333 1.80105e-19 53 63.546 0.00412355 -3.53573 63.546000 Cu 0.972778 0.557899 0.5 54 63.546 0.0373845 -3.5382 63.546000 Cu 0.890298 0.57257 0.5 55 63.546 0.0108318 -3.54364 63.546000 Cu 0.100012 0.580446 1.2007e-19 57 63.546 0.0115386 -3.53059 63.546000 Cu 0.0305357 0.577982 0.5 59 63.546 0.0105267 -3.53091 63.546000 Cu 0.0199996 0.595358 4.67073e-17 84 63.546 0.0022463 -3.53667 63.546000 Cu 0.0801516 0.615245 4.67073e-17 85 63.546 0.000658446 -3.53972 63.546000 Cu 0.0901326 0.59788 0.5 86 63.546 0.00295361 -3.53712 63.546000 Cu 0.00974987 0.61269 0.5 87 63.546 0.000440275 -3.53985 63.546000 Cu 0.160219 0.600246 6.03952e-17 88 63.546 0.00235887 -3.53841 63.546000 Cu 0.239289 0.584938 4.67073e-17 61 63.546 0.00289308 -3.54028 63.546000 Cu 0.169513 0.582715 0.5 63 63.546 0.00364578 -3.53562 63.546000 Cu 0.309317 0.587308 0.5 65 63.546 0.00851758 -3.5433 63.546000 Cu 0.230071 0.602541 0.5 90 63.546 0.00123629 -3.53966 63.546000 Cu 0.299739 0.604913 3.00175e-19 92 63.546 0.00131886 -3.54056 63.546000 Cu 0.379566 0.589931 4.67073e-17 66 63.546 0.00456797 -3.54185 63.546000 Cu 0.449765 0.59267 0.5 71 63.546 0.00133587 -3.5386 63.546000 Cu 0.369454 0.607426 0.5 95 63.546 0.00238147 -3.54078 63.546000 Cu 0.439468 0.610055 1.2007e-19 96 63.546 0.00159073 -3.54032 63.546000 Cu 0.52 0.595358 1.80105e-19 69 63.546 0.0022463 -3.53667 63.546000 Cu 0.530536 0.577982 0.5 70 63.546 0.0105267 -3.53091 63.546000 Cu 0.600012 0.580446 4.67073e-17 72 63.546 0.0115386 -3.53059 63.546000 Cu 0.660219 0.600246 2.29334e-17 73 63.546 0.00235887 -3.53841 63.546000 Cu 0.590133 0.59788 0.5 75 63.546 0.00295361 -3.53712 63.546000 Cu 0.50975 0.61269 0.5 98 63.546 0.000440275 -3.53985 63.546000 Cu 0.580152 0.615245 0 100 63.546 0.000658446 -3.53972 63.546000 Cu 0.669513 0.582715 0.5 74 63.546 0.00364578 -3.53562 63.546000 Cu 0.739289 0.584938 6.0035e-20 76 63.546 0.00289308 -3.54028 63.546000 Cu 0.799739 0.604913 6.78396e-17 77 63.546 0.00131886 -3.54056 63.546000 Cu 0.809317 0.587308 0.5 78 63.546 0.00851758 -3.5433 63.546000 Cu 0.730071 0.602541 0.5 79 63.546 0.00123629 -3.53966 63.546000 Cu 0.879566 0.589931 6.39373e-17 80 63.546 0.00456797 -3.54185 63.546000 Cu 0.939468 0.610055 2.35938e-17 81 63.546 0.00159073 -3.54032 63.546000 Cu 0.949765 0.59267 0.5 82 63.546 0.00133587 -3.5386 63.546000 Cu 0.869454 0.607426 0.5 83 63.546 0.00238147 -3.54078 63.546000 Cu 0.150396 0.617707 0.5 91 63.546 0.00148043 -3.53963 63.546000 Cu 0.0599686 0.650033 2.21529e-17 113 63.546 0.000218412 -3.54042 63.546000 Cu 0.0700529 0.632618 0.5 114 63.546 0.000144139 -3.54039 63.546000 Cu 0.140272 0.63514 3.6021e-19 116 63.546 0.000399955 -3.53973 63.546000 Cu 0.130085 0.652572 0.5 119 63.546 4.23251e-05 -3.53979 63.546000 Cu 0.220324 0.620112 3.6021e-19 89 63.546 0.00100498 -3.53931 63.546000 Cu 0.290013 0.622524 0.5 93 63.546 0.000202918 -3.53932 63.546000 Cu 0.210292 0.637625 0.5 118 63.546 0.000532161 -3.5394 63.546000 Cu 0.280135 0.640086 4.67073e-17 120 63.546 0.000313705 -3.53919 63.546000 Cu 0.359683 0.62499 8.16476e-18 94 63.546 0.000497123 -3.53986 63.546000 Cu 0.429568 0.62751 0.5 99 63.546 0.00092446 -3.54042 63.546000 Cu 0.349925 0.642537 0.5 122 63.546 9.4765e-05 -3.53953 63.546000 Cu 0.419812 0.645005 6.0035e-20 124 63.546 0.000220568 -3.5402 63.546000 Cu 0.489838 0.647505 0.5 126 63.546 0.000376204 -3.54072 63.546000 Cu 0.499736 0.630063 6.0035e-20 97 63.546 0.00047649 -3.54064 63.546000 Cu 0.640272 0.63514 3.16385e-17 101 63.546 0.000399955 -3.53973 63.546000 Cu 0.650396 0.617707 0.5 102 63.546 0.00148043 -3.53963 63.546000 Cu 0.570053 0.632618 0.5 103 63.546 0.000144139 -3.54039 63.546000 Cu 0.559969 0.650033 7.23422e-17 128 63.546 0.000218412 -3.54042 63.546000 Cu 0.630085 0.652572 0.5 130 63.546 4.23251e-05 -3.53979 63.546000 Cu 0.720324 0.620112 7.75052e-17 104 63.546 0.00100498 -3.53931 63.546000 Cu 0.780135 0.640086 5.40315e-19 105 63.546 0.000313705 -3.53919 63.546000 Cu 0.790013 0.622524 0.5 106 63.546 0.000202918 -3.53932 63.546000 Cu 0.710292 0.637625 0.5 107 63.546 0.000532161 -3.5394 63.546000 Cu 0.999736 0.630063 4.67073e-17 112 63.546 0.00047649 -3.54064 63.546000 Cu 0.859683 0.62499 4.67073e-17 108 63.546 0.000497123 -3.53986 63.546000 Cu 0.919812 0.645005 4.8028e-19 109 63.546 0.000220568 -3.5402 63.546000 Cu 0.929568 0.62751 0.5 110 63.546 0.00092446 -3.54042 63.546000 Cu 0.849925 0.642537 0.5 111 63.546 9.4765e-05 -3.53953 63.546000 Cu 0.989838 0.647505 0.5 115 63.546 0.000376204 -3.54072 63.546000 Cu 0.0399694 0.685002 3.04378e-17 141 63.546 2.77807e-05 -3.54035 63.546000 Cu 0.0499509 0.667501 0.5 142 63.546 0.000138573 -3.54045 63.546000 Cu 0.119977 0.670024 4.67073e-17 144 63.546 7.21722e-05 -3.53996 63.546000 Cu 0.109955 0.687505 0.5 147 63.546 5.00133e-05 -3.54047 63.546000 Cu 0.200143 0.655099 6.98808e-17 117 63.546 0.000146493 -3.53936 63.546000 Cu 0.270119 0.657591 0.5 123 63.546 0.000196795 -3.53926 63.546000 Cu 0.179983 0.690018 4.67073e-17 145 63.546 3.04945e-05 -3.54048 63.546000 Cu 0.190028 0.67255 0.5 146 63.546 1.95423e-05 -3.53954 63.546000 Cu 0.260076 0.675062 1.56091e-18 148 63.546 4.26497e-05 -3.53946 63.546000 Cu 0.330093 0.677553 0.5 150 63.546 5.958e-05 -3.53965 63.546000 Cu 0.340064 0.66006 8.35688e-17 121 63.546 0.000106302 -3.53974 63.546000 Cu 0.479956 0.664998 2.4014e-19 125 63.546 0.000103744 -3.54065 63.546000 Cu 0.409998 0.662522 0.5 127 63.546 2.91504e-05 -3.54033 63.546000 Cu 0.400069 0.680033 1.2007e-19 152 63.546 3.30929e-05 -3.53994 63.546000 Cu 0.470022 0.682513 0.5 154 63.546 8.72563e-06 -3.54021 63.546000 Cu 0.619977 0.670024 4.67073e-17 129 63.546 7.21722e-05 -3.53996 63.546000 Cu 0.549951 0.667501 0.5 131 63.546 0.000138573 -3.54045 63.546000 Cu 0.539969 0.685002 4.56266e-18 156 63.546 2.77807e-05 -3.54035 63.546000 Cu 0.609955 0.687505 0.5 158 63.546 5.00133e-05 -3.54047 63.546000 Cu 0.700143 0.655099 2.4014e-19 132 63.546 0.000146493 -3.53936 63.546000 Cu 0.760076 0.675062 7.73251e-17 133 63.546 4.26497e-05 -3.53946 63.546000 Cu 0.770119 0.657591 0.5 134 63.546 0.000196795 -3.53926 63.546000 Cu 0.690028 0.67255 0.5 135 63.546 1.95423e-05 -3.53954 63.546000 Cu 0.830093 0.677553 0.5 139 63.546 5.958e-05 -3.53965 63.546000 Cu 0.679983 0.690018 2.4014e-19 160 63.546 3.04945e-05 -3.54048 63.546000 Cu 0.840064 0.66006 4.67073e-17 136 63.546 0.000106302 -3.53974 63.546000 Cu 0.900069 0.680033 1.44024e-16 137 63.546 3.30929e-05 -3.53994 63.546000 Cu 0.909998 0.662522 0.5 138 63.546 2.91504e-05 -3.54033 63.546000 Cu 0.979956 0.664998 4.67073e-17 140 63.546 0.000103744 -3.54065 63.546000 Cu 0.970022 0.682513 0.5 143 63.546 8.72563e-06 -3.54021 63.546000 Cu 0.0200152 0.720006 1.2007e-19 169 63.546 6.77847e-06 -3.53985 63.546000 Cu 0.030002 0.702509 0.5 170 63.546 4.66795e-06 -3.54013 63.546000 Cu 0.0999794 0.705006 1.03861e-17 172 63.546 6.39133e-06 -3.54039 63.546000 Cu 0.159997 0.724999 3.9383e-17 173 63.546 2.58967e-06 -3.53994 63.546000 Cu 0.0900011 0.722501 0.5 175 63.546 3.71367e-06 -3.53992 63.546000 Cu 0.320068 0.695035 2.16126e-17 149 63.546 1.23459e-05 -3.54011 63.546000 Cu 0.250033 0.692531 0.5 151 63.546 9.3129e-06 -3.54034 63.546000 Cu 0.169982 0.70751 0.5 174 63.546 8.33628e-06 -3.54049 63.546000 Cu 0.240004 0.710017 1.30276e-17 176 63.546 6.35678e-06 -3.54037 63.546000 Cu 0.300007 0.729999 5.33711e-17 177 63.546 9.76359e-07 -3.53981 63.546000 Cu 0.310027 0.712521 0.5 178 63.546 6.18167e-06 -3.54011 63.546000 Cu 0.23 0.727499 0.5 179 63.546 1.86566e-06 -3.53989 63.546000 Cu 0.460039 0.700018 1.2007e-19 153 63.546 9.64614e-06 -3.53994 63.546000 Cu 0.390069 0.69753 0.5 155 63.546 1.72199e-05 -3.53997 63.546000 Cu 0.380037 0.715019 9.38948e-17 180 63.546 8.67488e-06 -3.53988 63.546000 Cu 0.450031 0.717513 0.5 182 63.546 9.76803e-06 -3.53981 63.546000 Cu 0.599979 0.705006 3.00175e-19 157 63.546 6.39133e-06 -3.54039 63.546000 Cu 0.530002 0.702509 0.5 159 63.546 4.66795e-06 -3.54013 63.546000 Cu 0.520015 0.720006 4.67073e-17 184 63.546 6.77847e-06 -3.53985 63.546000 Cu 0.590001 0.722501 0.5 186 63.546 3.71367e-06 -3.53992 63.546000 Cu 0.659997 0.724999 4.67073e-17 188 63.546 2.58967e-06 -3.53994 63.546000 Cu 0.740004 0.710017 3.00175e-19 161 63.546 6.35678e-06 -3.54037 63.546000 Cu 0.750033 0.692531 0.5 162 63.546 9.3129e-06 -3.54034 63.546000 Cu 0.669982 0.70751 0.5 163 63.546 8.33628e-06 -3.54049 63.546000 Cu 0.820068 0.695035 6.0035e-20 164 63.546 1.23459e-05 -3.54011 63.546000 Cu 0.810027 0.712521 0.5 167 63.546 6.18167e-06 -3.54011 63.546000 Cu 0.73 0.727499 0.5 190 63.546 1.86566e-06 -3.53989 63.546000 Cu 0.800007 0.729999 5.40315e-19 192 63.546 9.76359e-07 -3.53981 63.546000 Cu 0.880037 0.715019 4.67073e-17 165 63.546 8.67488e-06 -3.53988 63.546000 Cu 0.890069 0.69753 0.5 166 63.546 1.72199e-05 -3.53997 63.546000 Cu 0.960039 0.700018 2.4014e-19 168 63.546 9.64614e-06 -3.53994 63.546000 Cu 0.950031 0.717513 0.5 171 63.546 9.76803e-06 -3.53981 63.546000 Cu 0.0100071 0.73749 0.5 198 63.546 8.29858e-07 -3.53984 63.546000 Cu 0.0800024 0.739986 1.63896e-17 200 63.546 1.05979e-06 -3.53991 63.546000 Cu 0.13999 0.759964 4.67073e-17 201 63.546 1.10494e-06 -3.53976 63.546000 Cu 0.149999 0.742484 0.5 202 63.546 6.07838e-07 -3.53995 63.546000 Cu 0.0699896 0.757467 0.5 203 63.546 7.06726e-07 -3.53978 63.546000 Cu 0.219998 0.744982 4.67073e-17 204 63.546 1.58933e-07 -3.53998 63.546000 Cu 0.279995 0.764961 4.67073e-17 205 63.546 5.84112e-07 -3.5398 63.546000 Cu 0.289998 0.74748 0.5 206 63.546 1.52852e-07 -3.53997 63.546000 Cu 0.209994 0.762463 0.5 207 63.546 9.35874e-07 -3.53978 63.546000 Cu 0.440011 0.734994 1.24873e-16 181 63.546 4.26159e-07 -3.53979 63.546000 Cu 0.370011 0.732498 0.5 183 63.546 3.85447e-07 -3.53978 63.546000 Cu 0.349993 0.767459 0.5 208 63.546 8.06001e-07 -3.53979 63.546000 Cu 0.359997 0.749978 2.70158e-17 209 63.546 2.92957e-07 -3.53994 63.546000 Cu 0.429995 0.752474 0.5 211 63.546 1.94663e-07 -3.53988 63.546000 Cu 0.499992 0.754971 7.18019e-17 212 63.546 2.62572e-07 -3.53982 63.546000 Cu 0.580002 0.739986 2.4014e-19 185 63.546 1.05979e-06 -3.53991 63.546000 Cu 0.510007 0.73749 0.5 187 63.546 8.29858e-07 -3.53984 63.546000 Cu 0.649999 0.742484 0.5 191 63.546 6.07838e-07 -3.53995 63.546000 Cu 0.56999 0.757467 0.5 214 63.546 7.06726e-07 -3.53978 63.546000 Cu 0.63999 0.759964 0 216 63.546 1.10494e-06 -3.53976 63.546000 Cu 0.719998 0.744982 3.9383e-17 189 63.546 1.58933e-07 -3.53998 63.546000 Cu 0.789998 0.74748 0.5 195 63.546 1.52852e-07 -3.53997 63.546000 Cu 0.709994 0.762463 0.5 218 63.546 9.35874e-07 -3.53978 63.546000 Cu 0.779995 0.764961 2.4014e-19 220 63.546 5.84112e-07 -3.5398 63.546000 Cu 0.999992 0.754971 1.80105e-19 197 63.546 2.62572e-07 -3.53982 63.546000 Cu 0.859997 0.749978 4.67073e-17 193 63.546 2.92957e-07 -3.53994 63.546000 Cu 0.870011 0.732498 0.5 194 63.546 3.85447e-07 -3.53978 63.546000 Cu 0.940011 0.734994 3.6021e-19 196 63.546 4.26159e-07 -3.53979 63.546000 Cu 0.929995 0.752474 0.5 199 63.546 1.94663e-07 -3.53988 63.546000 Cu 0.849993 0.767459 0.5 222 63.546 8.06001e-07 -3.53979 63.546000 Cu 0.0599691 0.774943 4.67073e-17 228 63.546 3.98853e-06 -3.53976 63.546000 Cu 0.119944 0.794923 5.40315e-19 229 63.546 4.99571e-06 -3.5401 63.546000 Cu 0.129972 0.77744 0.5 230 63.546 4.30841e-06 -3.5399 63.546000 Cu 0.0499485 0.792428 0.5 231 63.546 9.11754e-06 -3.54001 63.546000 Cu 0.199984 0.77994 4.20245e-19 232 63.546 4.86819e-06 -3.54009 63.546000 Cu 0.259984 0.79993 4.67073e-17 233 63.546 1.05901e-05 -3.54045 63.546000 Cu 0.269998 0.782442 0.5 234 63.546 5.63844e-06 -3.54026 63.546000 Cu 0.189957 0.797424 0.5 235 63.546 2.74399e-06 -3.5403 63.546000 Cu 0.330007 0.802437 0.5 237 63.546 2.28228e-05 -3.54045 63.546000 Cu 0.419985 0.769955 4.12441e-17 210 63.546 1.9228e-06 -3.53975 63.546000 Cu 0.489975 0.772449 0.5 215 63.546 3.35665e-06 -3.53972 63.546000 Cu 0.340003 0.784944 1.80105e-19 236 63.546 5.20877e-06 -3.5403 63.546000 Cu 0.40001 0.80494 2.4014e-19 238 63.546 1.88102e-05 -3.54034 63.546000 Cu 0.409991 0.787441 0.5 239 63.546 4.74754e-06 -3.54019 63.546000 Cu 0.479969 0.789935 4.67073e-17 240 63.546 7.05434e-06 -3.54004 63.546000 Cu 0.469984 0.807434 0.5 243 63.546 3.42169e-06 -3.54022 63.546000 Cu 0.559969 0.774943 2.25732e-17 213 63.546 3.98853e-06 -3.53976 63.546000 Cu 0.629972 0.77744 0.5 219 63.546 4.30841e-06 -3.5399 63.546000 Cu 0.549948 0.792428 0.5 242 63.546 9.11754e-06 -3.54001 63.546000 Cu 0.619944 0.794923 6.06354e-17 244 63.546 4.99571e-06 -3.5401 63.546000 Cu 0.699984 0.77994 5.41516e-17 217 63.546 4.86819e-06 -3.54009 63.546000 Cu 0.769998 0.782442 0.5 223 63.546 5.63844e-06 -3.54026 63.546000 Cu 0.689957 0.797424 0.5 246 63.546 2.74399e-06 -3.5403 63.546000 Cu 0.759984 0.79993 1.17068e-17 248 63.546 1.05901e-05 -3.54045 63.546000 Cu 0.830007 0.802437 0.5 250 63.546 2.28228e-05 -3.54045 63.546000 Cu 0.840003 0.784944 4.67073e-17 221 63.546 5.20877e-06 -3.5403 63.546000 Cu 0.919985 0.769955 4.67073e-17 224 63.546 1.9228e-06 -3.53975 63.546000 Cu 0.979969 0.789935 1.45285e-17 225 63.546 7.05434e-06 -3.54004 63.546000 Cu 0.989975 0.772449 0.5 226 63.546 3.35665e-06 -3.53972 63.546000 Cu 0.909991 0.787441 0.5 227 63.546 4.74754e-06 -3.54019 63.546000 Cu 0.90001 0.80494 4.8028e-19 252 63.546 1.88102e-05 -3.54034 63.546000 Cu 0.969984 0.807434 0.5 254 63.546 3.42169e-06 -3.54022 63.546000 Cu 0.0399475 0.809922 3.53006e-17 256 63.546 7.44713e-06 -3.54009 63.546000 Cu 0.099914 0.829903 1.80105e-19 257 63.546 3.67548e-05 -3.53995 63.546000 Cu 0.109919 0.81241 0.5 258 63.546 2.0912e-05 -3.53991 63.546000 Cu 0.0299708 0.827427 0.5 259 63.546 1.58102e-05 -3.54015 63.546000 Cu 0.0200338 0.844928 3.6021e-19 284 63.546 9.58774e-05 -3.54032 63.546000 Cu 0.179917 0.814901 3.00175e-19 260 63.546 2.0554e-05 -3.53975 63.546000 Cu 0.239905 0.83486 1.2007e-19 261 63.546 7.37174e-05 -3.53963 63.546000 Cu 0.249951 0.817402 0.5 262 63.546 8.71191e-06 -3.53962 63.546000 Cu 0.169892 0.832376 0.5 263 63.546 6.92853e-05 -3.53968 63.546000 Cu 0.319995 0.819912 4.67073e-17 264 63.546 1.81926e-05 -3.53966 63.546000 Cu 0.309956 0.837368 0.5 265 63.546 3.34092e-05 -3.5398 63.546000 Cu 0.379998 0.839895 0 266 63.546 3.62951e-05 -3.54018 63.546000 Cu 0.390026 0.822426 0.5 267 63.546 4.56844e-05 -3.53984 63.546000 Cu 0.460015 0.824934 0 268 63.546 3.91031e-05 -3.54009 63.546000 Cu 0.45003 0.842422 0.5 271 63.546 0.000104366 -3.54044 63.546000 Cu 0.539948 0.809922 4.67073e-17 241 63.546 7.44713e-06 -3.54009 63.546000 Cu 0.609919 0.81241 0.5 247 63.546 2.0912e-05 -3.53991 63.546000 Cu 0.520034 0.844928 1.08363e-16 269 63.546 9.58774e-05 -3.54032 63.546000 Cu 0.529971 0.827427 0.5 270 63.546 1.58102e-05 -3.54015 63.546000 Cu 0.599914 0.829903 6.0035e-20 272 63.546 3.67548e-05 -3.53995 63.546000 Cu 0.679917 0.814901 9.36547e-18 245 63.546 2.0554e-05 -3.53975 63.546000 Cu 0.819995 0.819912 4.67073e-17 249 63.546 1.81926e-05 -3.53966 63.546000 Cu 0.749951 0.817402 0.5 251 63.546 8.71191e-06 -3.53962 63.546000 Cu 0.669892 0.832376 0.5 274 63.546 6.92853e-05 -3.53968 63.546000 Cu 0.739905 0.83486 3.70416e-17 276 63.546 7.37174e-05 -3.53963 63.546000 Cu 0.809956 0.837368 0.5 278 63.546 3.34092e-05 -3.5398 63.546000 Cu 0.960015 0.824934 1 253 63.546 3.91031e-05 -3.54009 63.546000 Cu 0.890026 0.822426 0.5 255 63.546 4.56844e-05 -3.53984 63.546000 Cu 0.879998 0.839895 9.18536e-18 280 63.546 3.62951e-05 -3.54018 63.546000 Cu 0.95003 0.842422 0.5 282 63.546 0.000104366 -3.54044 63.546000 Cu 0.080188 0.86491 4.67073e-17 285 63.546 0.000188598 -3.54034 63.546000 Cu 0.0900073 0.847407 0.5 286 63.546 2.71086e-05 -3.54 63.546000 Cu 0.0101534 0.862412 0.5 287 63.546 0.000282602 -3.54064 63.546000 Cu 0.159936 0.849868 1.11665e-17 288 63.546 7.91033e-05 -3.53966 63.546000 Cu 0.150071 0.867386 0.5 291 63.546 8.1266e-05 -3.53959 63.546000 Cu 0.000244958 0.879853 1.07763e-16 312 63.546 0.000445628 -3.54063 63.546000 Cu 0.0703857 0.88241 0.5 314 63.546 0.000840296 -3.54056 63.546000 Cu 0.219854 0.869844 1.5429e-17 289 63.546 0.000234677 -3.53911 63.546000 Cu 0.229864 0.852337 0.5 290 63.546 0.00017788 -3.5396 63.546000 Cu 0.29983 0.854832 7.44434e-18 292 63.546 0.00011389 -3.53977 63.546000 Cu 0.289691 0.872302 0.5 293 63.546 0.000516023 -3.5392 63.546000 Cu 0.359726 0.874785 1.8797e-16 294 63.546 0.000363452 -3.53985 63.546000 Cu 0.369881 0.857353 0.5 295 63.546 6.357e-05 -3.54028 63.546000 Cu 0.440027 0.859888 5.88343e-17 296 63.546 0.000189755 -3.54061 63.546000 Cu 0.42996 0.877303 0.5 299 63.546 0.000109169 -3.54038 63.546000 Cu 0.659936 0.849868 3.96231e-18 273 63.546 7.91033e-05 -3.53966 63.546000 Cu 0.590007 0.847407 0.5 275 63.546 2.71086e-05 -3.54 63.546000 Cu 0.500245 0.879853 4.67073e-17 297 63.546 0.000445628 -3.54063 63.546000 Cu 0.510153 0.862412 0.5 298 63.546 0.000282602 -3.54064 63.546000 Cu 0.580188 0.86491 6.862e-17 300 63.546 0.000188598 -3.54034 63.546000 Cu 0.650071 0.867386 0.5 302 63.546 8.1266e-05 -3.53959 63.546000 Cu 0.570386 0.88241 0.5 303 63.546 0.000840296 -3.54056 63.546000 Cu 0.79983 0.854832 1.32017e-16 277 63.546 0.00011389 -3.53977 63.546000 Cu 0.729864 0.852337 0.5 279 63.546 0.00017788 -3.5396 63.546000 Cu 0.719854 0.869844 1.13466e-17 304 63.546 0.000234677 -3.53911 63.546000 Cu 0.789691 0.872302 0.5 306 63.546 0.000516023 -3.5392 63.546000 Cu 0.940027 0.859888 4.67073e-17 281 63.546 0.000189755 -3.54061 63.546000 Cu 0.869881 0.857353 0.5 283 63.546 6.357e-05 -3.54028 63.546000 Cu 0.859726 0.874785 4.67073e-17 308 63.546 0.000363452 -3.53985 63.546000 Cu 0.92996 0.877303 0.5 310 63.546 0.000109169 -3.54038 63.546000 Cu 0.0604806 0.899859 0 313 63.546 0.00150535 -3.54025 63.546000 Cu 0.140274 0.88493 4.60469e-17 316 63.546 0.000437599 -3.53977 63.546000 Cu 0.130502 0.902482 0.5 319 63.546 0.00222146 -3.54075 63.546000 Cu 0.0501431 0.917246 0.5 342 63.546 0.00121253 -3.53869 63.546000 Cu 0.120381 0.919982 1.62215e-16 344 63.546 0.0046711 -3.54227 63.546000 Cu 0.20023 0.904996 6.0035e-20 317 63.546 0.00119153 -3.54058 63.546000 Cu 0.209974 0.887396 0.5 318 63.546 0.000180422 -3.53906 63.546000 Cu 0.279683 0.889812 4.52064e-17 320 63.546 0.000817995 -3.53894 63.546000 Cu 0.269917 0.907368 0.5 323 63.546 0.00112814 -3.53986 63.546000 Cu 0.190609 0.922603 0.5 346 63.546 0.00829631 -3.54374 63.546000 Cu 0.339758 0.909679 8.4049e-18 321 63.546 0.00226094 -3.53799 63.546000 Cu 0.349602 0.892217 0.5 322 63.546 0.00133031 -3.53954 63.546000 Cu 0.419831 0.894677 7.68448e-18 324 63.546 0.000632004 -3.53976 63.546000 Cu 0.479959 0.914563 6.3397e-17 325 63.546 0.00229226 -3.53668 63.546000 Cu 0.490194 0.897232 0.5 326 63.546 0.00036186 -3.53967 63.546000 Cu 0.409803 0.912047 0.5 327 63.546 0.00291327 -3.53717 63.546000 Cu 0.640274 0.88493 4.82682e-17 301 63.546 0.000437599 -3.53977 63.546000 Cu 0.560481 0.899859 6.1656e-17 328 63.546 0.00150535 -3.54025 63.546000 Cu 0.620381 0.919982 5.59527e-17 329 63.546 0.0046711 -3.54227 63.546000 Cu 0.630502 0.902482 0.5 330 63.546 0.00222146 -3.54075 63.546000 Cu 0.550143 0.917246 0.5 331 63.546 0.00121253 -3.53869 63.546000 Cu 0.779683 0.889812 3.00175e-19 305 63.546 0.000817995 -3.53894 63.546000 Cu 0.709974 0.887396 0.5 307 63.546 0.000180422 -3.53906 63.546000 Cu 0.70023 0.904996 6.0035e-20 332 63.546 0.00119153 -3.54058 63.546000 Cu 0.769917 0.907368 0.5 334 63.546 0.00112814 -3.53986 63.546000 Cu 0.690609 0.922603 0.5 335 63.546 0.00829631 -3.54374 63.546000 Cu 0.919831 0.894677 4.84483e-17 309 63.546 0.000632004 -3.53976 63.546000 Cu 0.849602 0.892217 0.5 311 63.546 0.00133031 -3.53954 63.546000 Cu 0.990194 0.897232 0.5 315 63.546 0.00036186 -3.53967 63.546000 Cu 0.839758 0.909679 3.00175e-19 336 63.546 0.00226094 -3.53799 63.546000 Cu 0.909803 0.912047 0.5 338 63.546 0.00291327 -3.53717 63.546000 Cu 0.979959 0.914563 8.18878e-17 340 63.546 0.00229226 -3.53668 63.546000 Cu 0.0390536 0.934582 0 341 63.546 0.00441293 -3.53511 63.546000 Cu 0.10962 0.93734 0.5 347 63.546 0.0105521 -3.54339 63.546000 Cu 0.0271378 0.952008 0.5 370 63.546 0.0374057 -3.5386 63.546000 Cu 0.0983358 0.954413 4.53265e-17 372 63.546 0.0283538 -3.5379 63.546000 Cu 0.181042 0.940023 0 345 63.546 0.0183384 -3.54388 63.546000 Cu 0.26068 0.92498 8.36888e-17 348 63.546 0.00280255 -3.54114 63.546000 Cu 0.321957 0.94492 4.67073e-17 349 63.546 0.0183253 -3.53386 63.546000 Cu 0.330475 0.927212 0.5 350 63.546 0.00341583 -3.53544 63.546000 Cu 0.252259 0.942566 0.5 351 63.546 0.0180119 -3.54099 63.546000 Cu 0.171726 0.95707 0.5 374 63.546 0.0236552 -3.5359 63.546000 Cu 0.244235 0.959992 1.42103e-16 376 63.546 0.0790673 -3.53963 63.546000 Cu 0.399907 0.929486 1.12866e-17 352 63.546 0.0114187 -3.53083 63.546000 Cu 0.45821 0.94955 1.2007e-19 353 63.546 0.0398144 -3.52486 63.546000 Cu 0.4694 0.931946 0.5 354 63.546 0.0103442 -3.53089 63.546000 Cu 0.390384 0.947233 0.5 355 63.546 0.034852 -3.52271 63.546000 Cu 0.539054 0.934582 4.67073e-17 356 63.546 0.00441293 -3.53511 63.546000 Cu 0.598336 0.954413 5.39115e-17 357 63.546 0.0283538 -3.5379 63.546000 Cu 0.60962 0.93734 0.5 358 63.546 0.0105521 -3.54339 63.546000 Cu 0.527138 0.952008 0.5 359 63.546 0.0374057 -3.5386 63.546000 Cu 0.76068 0.92498 4.67073e-17 333 63.546 0.00280255 -3.54114 63.546000 Cu 0.830475 0.927212 0.5 339 63.546 0.00341583 -3.53544 63.546000 Cu 0.681042 0.940023 8.77712e-17 360 63.546 0.0183384 -3.54388 63.546000 Cu 0.744235 0.959992 1.14667e-17 361 63.546 0.0790673 -3.53963 63.546000 Cu 0.752259 0.942566 0.5 362 63.546 0.0180119 -3.54099 63.546000 Cu 0.671726 0.95707 0.5 363 63.546 0.0236552 -3.5359 63.546000 Cu 0.821957 0.94492 4.67073e-17 364 63.546 0.0183253 -3.53386 63.546000 Cu 0.899907 0.929486 0 337 63.546 0.0114187 -3.53083 63.546000 Cu 0.9694 0.931946 0.5 343 63.546 0.0103442 -3.53089 63.546000 Cu 0.890384 0.947233 0.5 366 63.546 0.034852 -3.52271 63.546000 Cu 0.95821 0.94955 1.2007e-19 368 63.546 0.0398144 -3.52486 63.546000 Cu 0.014928 0.969422 7.7085e-17 369 63.546 0.148584 -3.52197 63.546000 Cu 0.161572 0.973573 7.2042e-19 373 63.546 0.0656153 -3.51519 63.546000 Cu 0.0878611 0.971322 0.5 375 63.546 0.0660539 -3.5386 63.546000 Cu 0.00586826 0.987258 0.5 397 63.546 0.15999 -3.52707 63.546000 Cu 0.0768297 0.987775 7.32427e-18 398 63.546 0.373944 -3.50105 63.546000 Cu 0.154273 0.989964 0.5 399 63.546 4.648 -3.45794 63.546000 Cu 0.305866 0.981625 1.68098e-18 377 63.546 1.21853 -3.41204 63.546000 Cu 0.314428 0.962992 0.5 378 63.546 0.165492 -3.50623 63.546000 Cu 0.236604 0.977119 0.5 379 63.546 1.07898 -3.453 63.546000 Cu 0.225937 0.993691 8.06871e-17 400 63.546 9.37224 -3.32965 63.546000 Cu 0.380781 0.965664 5.41516e-17 380 63.546 0.088513 -3.50424 63.546000 Cu 0.435942 0.986619 4.67073e-17 381 63.546 0.198557 -3.52203 63.546000 Cu 0.446207 0.967958 0.5 382 63.546 0.104791 -3.52749 63.546000 Cu 0.367942 0.985745 0.5 383 63.546 0.539057 -3.47245 63.546000 Cu 0.514928 0.969422 4.67073e-17 384 63.546 0.148584 -3.52197 63.546000 Cu 0.57683 0.987775 4.67073e-17 385 63.546 0.373944 -3.50105 63.546000 Cu 0.587861 0.971322 0.5 386 63.546 0.0660539 -3.5386 63.546000 Cu 0.505868 0.987258 0.5 387 63.546 0.15999 -3.52707 63.546000 Cu 0.661572 0.973573 4.67073e-17 388 63.546 0.0656153 -3.51519 63.546000 Cu 0.654273 0.989964 0.5 391 63.546 4.648 -3.45794 63.546000 Cu 0.814428 0.962992 0.5 367 63.546 0.165492 -3.50623 63.546000 Cu 0.725937 0.993691 6.0035e-19 389 63.546 9.37224 -3.32965 63.546000 Cu 0.736604 0.977119 0.5 390 63.546 1.07898 -3.453 63.546000 Cu 0.805866 0.981625 4.67073e-17 392 63.546 1.21853 -3.41204 63.546000 Cu 0.880781 0.965664 6.24364e-17 365 63.546 0.088513 -3.50424 63.546000 Cu 0.946207 0.967958 0.5 371 63.546 0.104791 -3.52749 63.546000 Cu 0.867942 0.985745 0.5 394 63.546 0.539057 -3.47245 63.546000 Cu 0.935942 0.986619 1.80105e-19 396 63.546 0.198557 -3.52203