Number of particles = 796 A = 1 Angstrom (basic length-scale) H0(1,1) = 25.5798 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 102.207 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.6076 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 0.00284376 0.00506671 1 408 63.546 0.181247 -3.53645 63.546000 Cu 0.139979 0.00505283 6.65981e-17 410 63.546 6.1745 -3.4122 63.546000 Cu 0.0722151 0.00506191 0.5 411 63.546 0.45318 -3.52058 63.546000 Cu 0.00651093 0.0229324 0.5 422 63.546 0.141592 -3.52756 63.546000 Cu 0.0762734 0.0223522 7.82588e-17 424 63.546 0.36581 -3.5032 63.546000 Cu 0.151085 0.0204261 0.5 426 63.546 4.49446 -3.417 63.546000 Cu 0.221848 0.016656 3.71459e-17 428 63.546 9.09923 -3.32244 63.546000 Cu 0.236015 0.0321022 0.5 431 63.546 0.772412 -3.43165 63.546000 Cu 0.305978 0.0270096 2.8731e-17 429 63.546 0.961987 -3.41235 63.546000 Cu 0.289204 0.00506194 0.5 430 63.546 7.16585 -3.2635 63.546000 Cu 0.361875 0.00504487 1.1252e-16 432 63.546 1.07194 -3.4776 63.546000 Cu 0.369417 0.0241747 0.5 435 63.546 0.28616 -3.47283 63.546000 Cu 0.43727 0.0235013 3.28182e-17 433 63.546 0.117734 -3.52139 63.546000 Cu 0.432944 0.0050574 0.5 434 63.546 0.269893 -3.52898 63.546000 Cu 0.502844 0.00506671 0 436 63.546 0.181247 -3.53645 63.546000 Cu 0.506511 0.0229324 0.5 439 63.546 0.141592 -3.52756 63.546000 Cu 0.572215 0.00506191 0.5 438 63.546 0.45318 -3.52058 63.546000 Cu 0.639979 0.00505283 0 403 63.546 6.1745 -3.4122 63.546000 Cu 0.651085 0.0204261 0.5 405 63.546 4.49446 -3.417 63.546000 Cu 0.576273 0.0223522 9.38866e-17 437 63.546 0.36581 -3.5032 63.546000 Cu 0.721848 0.016656 0 404 63.546 9.09923 -3.32244 63.546000 Cu 0.789204 0.00506194 0.5 407 63.546 7.16585 -3.2635 63.546000 Cu 0.736015 0.0321022 0.5 414 63.546 0.772412 -3.43165 63.546000 Cu 0.805978 0.0270096 1.20213e-19 416 63.546 0.961987 -3.41235 63.546000 Cu 0.861875 0.00504487 0 406 63.546 1.07194 -3.4776 63.546000 Cu 0.932944 0.0050574 0.5 409 63.546 0.269893 -3.52898 63.546000 Cu 0.869417 0.0241747 0.5 418 63.546 0.28616 -3.47283 63.546000 Cu 0.93727 0.0235013 0 420 63.546 0.117734 -3.52139 63.546000 Cu 0.0147649 0.0407004 1.50267e-17 421 63.546 0.162267 -3.52056 63.546000 Cu 0.0877411 0.0387101 0.5 427 63.546 0.0596091 -3.52313 63.546000 Cu 0.0266156 0.0578744 0.5 450 63.546 0.0392587 -3.534 63.546000 Cu 0.0983227 0.0555009 1 452 63.546 0.0233793 -3.53163 63.546000 Cu 0.16086 0.0364151 8.1144e-17 425 63.546 0.11566 -3.51357 63.546000 Cu 0.171965 0.0526439 0.5 454 63.546 0.0455404 -3.52365 63.546000 Cu 0.243975 0.0493236 2.28405e-17 456 63.546 0.122419 -3.51766 63.546000 Cu 0.252184 0.0669093 0.5 459 63.546 0.0297592 -3.53438 63.546000 Cu 0.321327 0.0644257 2.11575e-17 457 63.546 0.0201965 -3.53467 63.546000 Cu 0.313722 0.0460864 0.5 458 63.546 0.136133 -3.51258 63.546000 Cu 0.379513 0.0437172 1.37524e-16 460 63.546 0.0403246 -3.51745 63.546000 Cu 0.389176 0.0622684 0.5 463 63.546 0.027275 -3.53359 63.546000 Cu 0.456752 0.0601728 1 461 63.546 0.0545317 -3.53156 63.546000 Cu 0.44574 0.0419272 0.5 462 63.546 0.104121 -3.52075 63.546000 Cu 0.514765 0.0407004 3.59438e-17 464 63.546 0.162267 -3.52056 63.546000 Cu 0.526616 0.0578744 0.5 467 63.546 0.0392587 -3.534 63.546000 Cu 0.66086 0.0364151 2.28405e-17 412 63.546 0.11566 -3.51357 63.546000 Cu 0.671965 0.0526439 0.5 415 63.546 0.0455404 -3.52365 63.546000 Cu 0.598323 0.0555009 7.39312e-17 465 63.546 0.0233793 -3.53163 63.546000 Cu 0.587741 0.0387101 0.5 466 63.546 0.0596091 -3.52313 63.546000 Cu 0.743975 0.0493236 1.20213e-19 413 63.546 0.122419 -3.51766 63.546000 Cu 0.813722 0.0460864 0.5 419 63.546 0.136133 -3.51258 63.546000 Cu 0.752184 0.0669093 0.5 442 63.546 0.0297592 -3.53438 63.546000 Cu 0.821327 0.0644257 6.3713e-18 444 63.546 0.0201965 -3.53467 63.546000 Cu 0.879513 0.0437172 2.30809e-17 417 63.546 0.0403246 -3.51745 63.546000 Cu 0.94574 0.0419272 0.5 423 63.546 0.104121 -3.52075 63.546000 Cu 0.889176 0.0622684 0.5 446 63.546 0.027275 -3.53359 63.546000 Cu 0.956752 0.0601728 4.91672e-17 448 63.546 0.0545317 -3.53156 63.546000 Cu 0.0383575 0.0751814 6.81609e-17 449 63.546 0.00668499 -3.53839 63.546000 Cu 0.109682 0.0724219 0.5 455 63.546 0.0118192 -3.53716 63.546000 Cu 0.0496519 0.092483 0.5 479 63.546 0.00171475 -3.53966 63.546000 Cu 0.120164 0.0897524 6.73194e-18 481 63.546 0.00581286 -3.53926 63.546000 Cu 0.181227 0.0696717 1 453 63.546 0.0213616 -3.53572 63.546000 Cu 0.190649 0.0871077 0.5 483 63.546 0.00838867 -3.53887 63.546000 Cu 0.260606 0.0846407 0 485 63.546 0.00504122 -3.53907 63.546000 Cu 0.269803 0.102371 0.5 488 63.546 0.0009675 -3.53971 63.546000 Cu 0.339375 0.10009 2.69278e-17 486 63.546 0.00410334 -3.5396 63.546000 Cu 0.329958 0.0823865 0.5 487 63.546 0.00482793 -3.53891 63.546000 Cu 0.398919 0.0801929 1.47862e-17 489 63.546 0.0180522 -3.53831 63.546000 Cu 0.409198 0.097729 0.5 492 63.546 0.00516853 -3.53966 63.546000 Cu 0.479251 0.0951928 5.65002e-17 490 63.546 0.002295 -3.53974 63.546000 Cu 0.468307 0.077765 0.5 491 63.546 0.0121496 -3.53885 63.546000 Cu 0.538357 0.0751814 2.48841e-17 493 63.546 0.00668499 -3.53839 63.546000 Cu 0.549652 0.092483 0.5 496 63.546 0.00171475 -3.53966 63.546000 Cu 0.681227 0.0696717 4.65225e-17 440 63.546 0.0213616 -3.53572 63.546000 Cu 0.690649 0.0871077 0.5 443 63.546 0.00838867 -3.53887 63.546000 Cu 0.620164 0.0897524 2.28405e-17 494 63.546 0.00581286 -3.53926 63.546000 Cu 0.609682 0.0724219 0.5 495 63.546 0.0118192 -3.53716 63.546000 Cu 0.760606 0.0846407 3.82278e-17 441 63.546 0.00504122 -3.53907 63.546000 Cu 0.829958 0.0823865 0.5 447 63.546 0.00482793 -3.53891 63.546000 Cu 0.769803 0.102371 0.5 471 63.546 0.0009675 -3.53971 63.546000 Cu 0.839375 0.10009 1 473 63.546 0.00410334 -3.5396 63.546000 Cu 0.898919 0.0801929 3.48618e-18 445 63.546 0.0180522 -3.53831 63.546000 Cu 0.968307 0.077765 0.5 451 63.546 0.0121496 -3.53885 63.546000 Cu 0.909198 0.097729 0.5 475 63.546 0.00516853 -3.53966 63.546000 Cu 0.979251 0.0951928 1.10596e-17 477 63.546 0.002295 -3.53974 63.546000 Cu 0.0601113 0.109913 1 478 63.546 0.00136029 -3.53979 63.546000 Cu 0.130267 0.107271 0.5 484 63.546 0.00247717 -3.53967 63.546000 Cu 4.4855e-05 0.130001 0 507 63.546 0.000361531 -3.5399 63.546000 Cu 0.0701887 0.127408 0.5 509 63.546 0.000822336 -3.53987 63.546000 Cu 0.140134 0.12486 0 511 63.546 0.00070204 -3.53986 63.546000 Cu 0.200157 0.104744 3.54629e-17 482 63.546 0.00180099 -3.53967 63.546000 Cu 0.209882 0.1224 0.5 513 63.546 0.000257266 -3.53986 63.546000 Cu 0.279569 0.120013 4.78449e-17 515 63.546 0.00097159 -3.53981 63.546000 Cu 0.359637 0.135102 2.84905e-17 516 63.546 0.000437548 -3.53991 63.546000 Cu 0.349424 0.117626 0.5 517 63.546 0.00167416 -3.53981 63.546000 Cu 0.28963 0.137566 0.5 518 63.546 0.000522308 -3.53991 63.546000 Cu 0.41952 0.11516 2.28405e-17 519 63.546 0.00105126 -3.53984 63.546000 Cu 0.500045 0.130001 3.96704e-17 520 63.546 0.000361531 -3.5399 63.546000 Cu 0.489826 0.11257 0.5 521 63.546 0.000457386 -3.53986 63.546000 Cu 0.429812 0.132579 0.5 522 63.546 0.000150102 -3.53992 63.546000 Cu 0.560111 0.109913 0 523 63.546 0.00136029 -3.53979 63.546000 Cu 0.570189 0.127408 0.5 525 63.546 0.000822336 -3.53987 63.546000 Cu 0.640134 0.12486 1 468 63.546 0.00070204 -3.53986 63.546000 Cu 0.700157 0.104744 8.94387e-17 469 63.546 0.00180099 -3.53967 63.546000 Cu 0.709882 0.1224 0.5 472 63.546 0.000257266 -3.53986 63.546000 Cu 0.630267 0.107271 0.5 524 63.546 0.00247717 -3.53967 63.546000 Cu 0.779569 0.120013 1.15405e-17 470 63.546 0.00097159 -3.53981 63.546000 Cu 0.849424 0.117626 0.5 476 63.546 0.00167416 -3.53981 63.546000 Cu 0.78963 0.137566 0.5 501 63.546 0.000522308 -3.53991 63.546000 Cu 0.91952 0.11516 0 474 63.546 0.00105126 -3.53984 63.546000 Cu 0.989826 0.11257 0.5 480 63.546 0.000457386 -3.53986 63.546000 Cu 0.859637 0.135102 2.05565e-17 503 63.546 0.000437548 -3.53991 63.546000 Cu 0.929812 0.132579 0.5 505 63.546 0.000150102 -3.53992 63.546000 Cu 0.0801331 0.144943 0 508 63.546 0.000310062 -3.53995 63.546000 Cu 0.0101083 0.14748 0.5 510 63.546 0.000265117 -3.53995 63.546000 Cu 0.0200921 0.164992 0 536 63.546 0.000118872 -3.53998 63.546000 Cu 0.0900609 0.16249 0.5 538 63.546 6.71776e-05 -3.53998 63.546000 Cu 0.21979 0.139999 0 512 63.546 0.000186919 -3.53993 63.546000 Cu 0.15 0.142449 0.5 514 63.546 0.000110965 -3.53995 63.546000 Cu 0.159943 0.160014 0 540 63.546 4.10502e-05 -3.53998 63.546000 Cu 0.229807 0.157551 0.5 542 63.546 0.000157831 -3.53997 63.546000 Cu 0.299754 0.155075 0 544 63.546 0.000188077 -3.53997 63.546000 Cu 0.379934 0.170047 2.28405e-17 545 63.546 1.46217e-05 -3.53998 63.546000 Cu 0.369816 0.15257 0.5 546 63.546 7.89769e-05 -3.53996 63.546000 Cu 0.439972 0.150033 5.30141e-17 548 63.546 7.92436e-05 -3.53995 63.546000 Cu 0.520092 0.164992 4.3397e-17 549 63.546 0.000118872 -3.53998 63.546000 Cu 0.510108 0.14748 0.5 550 63.546 0.000265117 -3.53995 63.546000 Cu 0.45003 0.167516 0.5 551 63.546 6.69731e-05 -3.53997 63.546000 Cu 0.659943 0.160014 2.28405e-17 497 63.546 4.10502e-05 -3.53998 63.546000 Cu 0.65 0.142449 0.5 498 63.546 0.000110965 -3.53995 63.546000 Cu 0.580133 0.144943 3.91895e-17 552 63.546 0.000310062 -3.53995 63.546000 Cu 0.590061 0.16249 0.5 553 63.546 6.71776e-05 -3.53998 63.546000 Cu 0.71979 0.139999 3.84682e-18 499 63.546 0.000186919 -3.53993 63.546000 Cu 0.799754 0.155075 4.29161e-17 500 63.546 0.000188077 -3.53997 63.546000 Cu 0.729807 0.157551 0.5 502 63.546 0.000157831 -3.53997 63.546000 Cu 0.939972 0.150033 2.28405e-17 504 63.546 7.92436e-05 -3.53995 63.546000 Cu 0.869816 0.15257 0.5 506 63.546 7.89769e-05 -3.53996 63.546000 Cu 0.879934 0.170047 1 532 63.546 1.46217e-05 -3.53998 63.546000 Cu 0.95003 0.167516 0.5 534 63.546 6.69731e-05 -3.53997 63.546000 Cu 0.0999984 0.180026 1 537 63.546 1.4891e-05 -3.53999 63.546000 Cu 0.0300432 0.18251 0.5 539 63.546 3.55107e-05 -3.53999 63.546000 Cu 0.0399945 0.200025 0 564 63.546 6.19249e-06 -3.53999 63.546000 Cu 0.109957 0.197542 0.5 566 63.546 1.51927e-05 -3.53999 63.546000 Cu 0.239866 0.175069 0 541 63.546 9.37342e-05 -3.53998 63.546000 Cu 0.169927 0.177551 0.5 543 63.546 5.44367e-05 -3.53999 63.546000 Cu 0.179926 0.195061 0 568 63.546 4.58031e-05 -3.53999 63.546000 Cu 0.249929 0.192566 0.5 570 63.546 3.65416e-05 -3.53999 63.546000 Cu 0.309865 0.172569 0.5 547 63.546 5.37078e-05 -3.53998 63.546000 Cu 0.319956 0.190054 0 572 63.546 8.24746e-06 -3.53999 63.546000 Cu 0.400032 0.205024 1 573 63.546 1.86414e-05 -3.53999 63.546000 Cu 0.390001 0.187532 0.5 574 63.546 1.74434e-05 -3.53999 63.546000 Cu 0.460038 0.185013 0 576 63.546 4.49716e-05 -3.53999 63.546000 Cu 0.539994 0.200025 1 577 63.546 6.19249e-06 -3.53999 63.546000 Cu 0.530043 0.18251 0.5 578 63.546 3.55107e-05 -3.53999 63.546000 Cu 0.470028 0.202517 0.5 579 63.546 1.94928e-05 -3.53999 63.546000 Cu 0.679926 0.195061 2.28405e-17 526 63.546 4.58031e-05 -3.53999 63.546000 Cu 0.669927 0.177551 0.5 527 63.546 5.44367e-05 -3.53999 63.546000 Cu 0.599998 0.180026 3.81076e-17 580 63.546 1.4891e-05 -3.53999 63.546000 Cu 0.609957 0.197542 0.5 581 63.546 1.51927e-05 -3.53999 63.546000 Cu 0.739866 0.175069 3.73863e-17 528 63.546 9.37342e-05 -3.53998 63.546000 Cu 0.819956 0.190054 9.61706e-18 529 63.546 8.24746e-06 -3.53999 63.546000 Cu 0.809865 0.172569 0.5 530 63.546 5.37078e-05 -3.53998 63.546000 Cu 0.749929 0.192566 0.5 531 63.546 3.65416e-05 -3.53999 63.546000 Cu 0.960038 0.185013 1.15645e-16 533 63.546 4.49716e-05 -3.53999 63.546000 Cu 0.890001 0.187532 0.5 535 63.546 1.74434e-05 -3.53999 63.546000 Cu 0.900032 0.205024 4.31566e-17 560 63.546 1.86414e-05 -3.53999 63.546000 Cu 0.970028 0.202517 0.5 562 63.546 1.94928e-05 -3.53999 63.546000 Cu 0.119946 0.215044 7.47727e-17 565 63.546 2.1429e-05 -3.53999 63.546000 Cu 0.0499761 0.21753 0.5 567 63.546 7.79809e-06 -3.53999 63.546000 Cu 0.0599811 0.235023 2.28405e-17 594 63.546 6.90564e-06 -3.53998 63.546000 Cu 0.129968 0.232532 0.5 596 63.546 9.50274e-06 -3.53998 63.546000 Cu 0.259973 0.21005 3.73863e-17 569 63.546 8.29676e-06 -3.53998 63.546000 Cu 0.189948 0.212552 0.5 571 63.546 1.93195e-05 -3.53998 63.546000 Cu 0.199975 0.230034 0 598 63.546 6.54466e-06 -3.53998 63.546000 Cu 0.270001 0.227529 0.5 600 63.546 2.33814e-06 -3.53998 63.546000 Cu 0.33001 0.207538 0.5 575 63.546 7.41371e-06 -3.53999 63.546000 Cu 0.340027 0.225021 2.28405e-17 602 63.546 6.31422e-06 -3.53998 63.546000 Cu 0.420025 0.240004 6.8762e-17 603 63.546 3.71959e-06 -3.53998 63.546000 Cu 0.410033 0.222516 0.5 604 63.546 9.93978e-06 -3.53999 63.546000 Cu 0.480011 0.22002 2.28405e-17 606 63.546 5.76877e-06 -3.53999 63.546000 Cu 0.559981 0.235023 1 607 63.546 6.90564e-06 -3.53998 63.546000 Cu 0.549976 0.21753 0.5 608 63.546 7.79809e-06 -3.53999 63.546000 Cu 0.490006 0.237512 0.5 609 63.546 3.23261e-06 -3.53998 63.546000 Cu 0.699975 0.230034 1 554 63.546 6.54466e-06 -3.53998 63.546000 Cu 0.689948 0.212552 0.5 555 63.546 1.93195e-05 -3.53998 63.546000 Cu 0.619946 0.215044 1 610 63.546 2.1429e-05 -3.53999 63.546000 Cu 0.629968 0.232532 0.5 611 63.546 9.50274e-06 -3.53998 63.546000 Cu 0.759973 0.21005 2.88512e-17 556 63.546 8.29676e-06 -3.53998 63.546000 Cu 0.840027 0.225021 2.21192e-17 557 63.546 6.31422e-06 -3.53998 63.546000 Cu 0.83001 0.207538 0.5 558 63.546 7.41371e-06 -3.53999 63.546000 Cu 0.770001 0.227529 0.5 559 63.546 2.33814e-06 -3.53998 63.546000 Cu 0.980011 0.22002 1.32235e-18 561 63.546 5.76877e-06 -3.53999 63.546000 Cu 0.910033 0.222516 0.5 563 63.546 9.93978e-06 -3.53999 63.546000 Cu 0.920025 0.240004 8.39089e-17 590 63.546 3.71959e-06 -3.53998 63.546000 Cu 0.990006 0.237512 0.5 592 63.546 3.23261e-06 -3.53998 63.546000 Cu 1.34608e-05 0.254995 5.65002e-18 591 63.546 9.43286e-08 -3.53998 63.546000 Cu 0.139989 0.250011 5.54183e-17 595 63.546 3.45624e-06 -3.53998 63.546000 Cu 0.0699955 0.252505 0.5 597 63.546 1.76458e-06 -3.53998 63.546000 Cu 0.0100182 0.27248 0.5 622 63.546 2.82753e-06 -3.53998 63.546000 Cu 0.0799988 0.269987 4.20746e-18 624 63.546 3.87202e-06 -3.53998 63.546000 Cu 0.280015 0.245006 0 599 63.546 5.96966e-07 -3.53998 63.546000 Cu 0.209997 0.247511 0.5 601 63.546 1.25703e-06 -3.53998 63.546000 Cu 0.149997 0.267489 0.5 626 63.546 3.29453e-06 -3.53998 63.546000 Cu 0.220011 0.264986 0 628 63.546 5.81388e-07 -3.53998 63.546000 Cu 0.350028 0.242502 0.5 605 63.546 3.16683e-06 -3.53998 63.546000 Cu 0.290029 0.262481 0.5 630 63.546 1.39906e-06 -3.53998 63.546000 Cu 0.360038 0.25998 2.17586e-17 632 63.546 3.75822e-06 -3.53998 63.546000 Cu 0.440044 0.274969 2.28405e-17 633 63.546 6.54651e-06 -3.53998 63.546000 Cu 0.430031 0.257485 0.5 634 63.546 2.19024e-06 -3.53998 63.546000 Cu 0.500013 0.254995 0 636 63.546 9.43286e-08 -3.53998 63.546000 Cu 0.569995 0.252505 0.5 638 63.546 1.76458e-06 -3.53998 63.546000 Cu 0.510018 0.27248 0.5 639 63.546 2.82753e-06 -3.53998 63.546000 Cu 0.639989 0.250011 3.99108e-17 582 63.546 3.45624e-06 -3.53998 63.546000 Cu 0.709997 0.247511 0.5 584 63.546 1.25703e-06 -3.53998 63.546000 Cu 0.649997 0.267489 0.5 585 63.546 3.29453e-06 -3.53998 63.546000 Cu 0.579999 0.269987 1 637 63.546 3.87202e-06 -3.53998 63.546000 Cu 0.720011 0.264986 7.81386e-17 583 63.546 5.81388e-07 -3.53998 63.546000 Cu 0.780015 0.245006 0 586 63.546 5.96966e-07 -3.53998 63.546000 Cu 0.850028 0.242502 0.5 588 63.546 3.16683e-06 -3.53998 63.546000 Cu 0.790029 0.262481 0.5 589 63.546 1.39906e-06 -3.53998 63.546000 Cu 0.860038 0.25998 1 587 63.546 3.75822e-06 -3.53998 63.546000 Cu 0.930031 0.257485 0.5 593 63.546 2.19024e-06 -3.53998 63.546000 Cu 0.940044 0.274969 0 620 63.546 6.54651e-06 -3.53998 63.546000 Cu 0.0200123 0.289972 8.89578e-18 621 63.546 4.45275e-06 -3.53999 63.546000 Cu 0.0899935 0.287475 0.5 627 63.546 9.28696e-06 -3.53999 63.546000 Cu 0.0300029 0.307472 0.5 650 63.546 1.5421e-05 -3.53999 63.546000 Cu 0.100004 0.304966 6.51556e-17 652 63.546 1.25403e-05 -3.53999 63.546000 Cu 0.160002 0.28497 2.28405e-17 625 63.546 5.2801e-06 -3.53998 63.546000 Cu 0.230028 0.282463 0.5 631 63.546 1.60883e-06 -3.53998 63.546000 Cu 0.170023 0.302453 0.5 654 63.546 5.20896e-06 -3.53999 63.546000 Cu 0.240054 0.299942 3.82278e-17 656 63.546 8.57622e-06 -3.53998 63.546000 Cu 0.300052 0.279958 7.63354e-17 629 63.546 5.66555e-06 -3.53998 63.546000 Cu 0.370059 0.277461 0.5 635 63.546 9.26677e-06 -3.53998 63.546000 Cu 0.310076 0.29744 0.5 658 63.546 1.82655e-05 -3.53998 63.546000 Cu 0.380074 0.294949 5.99864e-17 660 63.546 1.60556e-05 -3.53999 63.546000 Cu 0.460025 0.309965 2.48841e-17 661 63.546 4.94553e-06 -3.53999 63.546000 Cu 0.450046 0.292462 0.5 662 63.546 4.02199e-06 -3.53999 63.546000 Cu 0.520012 0.289972 3.943e-17 664 63.546 4.45275e-06 -3.53999 63.546000 Cu 0.530003 0.307472 0.5 667 63.546 1.5421e-05 -3.53999 63.546000 Cu 0.660002 0.28497 2.51246e-17 612 63.546 5.2801e-06 -3.53998 63.546000 Cu 0.670023 0.302453 0.5 615 63.546 5.20896e-06 -3.53999 63.546000 Cu 0.600004 0.304966 6.49152e-17 665 63.546 1.25403e-05 -3.53999 63.546000 Cu 0.589994 0.287475 0.5 666 63.546 9.28696e-06 -3.53999 63.546000 Cu 0.740054 0.299942 2.28405e-17 613 63.546 8.57622e-06 -3.53998 63.546000 Cu 0.730028 0.282463 0.5 614 63.546 1.60883e-06 -3.53998 63.546000 Cu 0.800052 0.279958 1.05667e-16 616 63.546 5.66555e-06 -3.53998 63.546000 Cu 0.810076 0.29744 0.5 619 63.546 1.82655e-05 -3.53998 63.546000 Cu 0.880074 0.294949 2.86108e-17 617 63.546 1.60556e-05 -3.53999 63.546000 Cu 0.870059 0.277461 0.5 618 63.546 9.26677e-06 -3.53998 63.546000 Cu 0.950046 0.292462 0.5 623 63.546 4.02199e-06 -3.53999 63.546000 Cu 0.960025 0.309965 6.34726e-17 648 63.546 4.94553e-06 -3.53999 63.546000 Cu 0.0399914 0.324972 1.03864e-16 649 63.546 3.30648e-05 -3.53999 63.546000 Cu 0.110031 0.322457 0.5 655 63.546 1.32499e-05 -3.53999 63.546000 Cu 0.0499906 0.342468 0.5 679 63.546 6.56631e-05 -3.53998 63.546000 Cu 0.120082 0.33994 0 681 63.546 1.42899e-05 -3.53998 63.546000 Cu 0.180076 0.319937 0 653 63.546 6.07218e-06 -3.53999 63.546000 Cu 0.250097 0.317427 0.5 659 63.546 3.11683e-05 -3.53999 63.546000 Cu 0.190152 0.337423 0.5 683 63.546 3.94692e-05 -3.53998 63.546000 Cu 0.260157 0.334924 5.68609e-17 685 63.546 6.62699e-05 -3.53998 63.546000 Cu 0.320089 0.314932 0 657 63.546 3.60941e-05 -3.53999 63.546000 Cu 0.390057 0.312448 0.5 663 63.546 1.06491e-05 -3.53999 63.546000 Cu 0.330099 0.332441 0.5 687 63.546 3.50862e-05 -3.53999 63.546000 Cu 0.400027 0.329961 6.61173e-18 689 63.546 1.28733e-05 -3.53999 63.546000 Cu 0.469983 0.327475 0.5 691 63.546 2.7868e-05 -3.53999 63.546000 Cu 0.539991 0.324972 3.37799e-17 693 63.546 3.30648e-05 -3.53999 63.546000 Cu 0.549991 0.342468 0.5 696 63.546 6.56631e-05 -3.53998 63.546000 Cu 0.680076 0.319937 6.13088e-17 640 63.546 6.07218e-06 -3.53999 63.546000 Cu 0.690152 0.337423 0.5 643 63.546 3.94692e-05 -3.53998 63.546000 Cu 0.620082 0.33994 0 694 63.546 1.42899e-05 -3.53998 63.546000 Cu 0.610031 0.322457 0.5 695 63.546 1.32499e-05 -3.53999 63.546000 Cu 0.760157 0.334924 6.75599e-17 641 63.546 6.62699e-05 -3.53998 63.546000 Cu 0.750097 0.317427 0.5 642 63.546 3.11683e-05 -3.53999 63.546000 Cu 0.820089 0.314932 1.45458e-17 644 63.546 3.60941e-05 -3.53999 63.546000 Cu 0.830099 0.332441 0.5 647 63.546 3.50862e-05 -3.53999 63.546000 Cu 0.900027 0.329961 2.28405e-17 645 63.546 1.28733e-05 -3.53999 63.546000 Cu 0.890057 0.312448 0.5 646 63.546 1.06491e-05 -3.53999 63.546000 Cu 0.969983 0.327475 0.5 651 63.546 2.7868e-05 -3.53999 63.546000 Cu 0.0600593 0.359948 0 678 63.546 7.42194e-05 -3.53996 63.546000 Cu 0.130193 0.357415 0.5 684 63.546 6.53572e-05 -3.53996 63.546000 Cu 0.0702114 0.377401 0.5 709 63.546 0.000136686 -3.53992 63.546000 Cu 0.140386 0.374879 0 711 63.546 0.000384459 -3.53991 63.546000 Cu 0.200251 0.354912 0 682 63.546 0.000152884 -3.53997 63.546000 Cu 0.270207 0.352436 0.5 688 63.546 0.000126096 -3.53997 63.546000 Cu 0.210384 0.372412 0.5 713 63.546 0.000485004 -3.53992 63.546000 Cu 0.280222 0.369975 0 715 63.546 0.000198949 -3.53994 63.546000 Cu 0.340094 0.34997 4.97683e-17 686 63.546 3.54512e-05 -3.53998 63.546000 Cu 0.409986 0.347491 0.5 692 63.546 4.80189e-05 -3.53999 63.546000 Cu 0.350021 0.367522 0.5 717 63.546 9.89368e-05 -3.53996 63.546000 Cu 0.419904 0.36503 0 719 63.546 0.000262182 -3.53996 63.546000 Cu 0.479946 0.344989 0 690 63.546 9.81206e-05 -3.53998 63.546000 Cu 0.489933 0.362497 0.5 721 63.546 0.000234477 -3.53995 63.546000 Cu 0.560059 0.359948 1.20213e-18 723 63.546 7.42194e-05 -3.53996 63.546000 Cu 0.570211 0.377401 0.5 725 63.546 0.000136686 -3.53992 63.546000 Cu 0.640386 0.374879 3.6064e-19 668 63.546 0.000384459 -3.53991 63.546000 Cu 0.700251 0.354912 8.29472e-18 669 63.546 0.000152884 -3.53997 63.546000 Cu 0.710384 0.372412 0.5 672 63.546 0.000485004 -3.53992 63.546000 Cu 0.630193 0.357415 0.5 724 63.546 6.53572e-05 -3.53996 63.546000 Cu 0.780222 0.369975 0 670 63.546 0.000198949 -3.53994 63.546000 Cu 0.770207 0.352436 0.5 671 63.546 0.000126096 -3.53997 63.546000 Cu 0.840094 0.34997 0 673 63.546 3.54512e-05 -3.53998 63.546000 Cu 0.850021 0.367522 0.5 676 63.546 9.89368e-05 -3.53996 63.546000 Cu 0.919904 0.36503 2.28405e-17 674 63.546 0.000262182 -3.53996 63.546000 Cu 0.909986 0.347491 0.5 675 63.546 4.80189e-05 -3.53999 63.546000 Cu 0.979946 0.344989 3.91895e-17 677 63.546 9.81206e-05 -3.53998 63.546000 Cu 0.989933 0.362497 0.5 680 63.546 0.000234477 -3.53995 63.546000 Cu 0.0804673 0.394814 0 708 63.546 0.0009545 -3.53983 63.546000 Cu 0.0101486 0.397401 0.5 710 63.546 0.000493912 -3.53985 63.546000 Cu 0.0907519 0.412237 0.5 738 63.546 0.00500029 -3.53967 63.546000 Cu 0.22045 0.389956 0 712 63.546 0.00104216 -3.53982 63.546000 Cu 0.150579 0.392349 0.5 714 63.546 0.00157659 -3.53982 63.546000 Cu 0.160625 0.409873 1 740 63.546 0.00428071 -3.5396 63.546000 Cu 0.230212 0.407593 0.5 742 63.546 0.00100513 -3.53973 63.546000 Cu 0.359873 0.385105 9.28046e-17 716 63.546 0.000649558 -3.53987 63.546000 Cu 0.290141 0.387564 0.5 718 63.546 0.000266334 -3.53987 63.546000 Cu 0.299866 0.405221 4.06321e-17 744 63.546 0.00177063 -3.53967 63.546000 Cu 0.36974 0.402694 0.5 746 63.546 0.00239602 -3.53968 63.546000 Cu 0.499971 0.379974 2.00756e-17 720 63.546 0.000355245 -3.5399 63.546000 Cu 0.42982 0.382561 0.5 722 63.546 0.000791098 -3.53987 63.546000 Cu 0.43987 0.400056 7.2128e-19 748 63.546 0.00140064 -3.5398 63.546000 Cu 0.510149 0.397401 0.5 750 63.546 0.000493912 -3.53985 63.546000 Cu 0.660625 0.409873 1 697 63.546 0.00428071 -3.5396 63.546000 Cu 0.650579 0.392349 0.5 698 63.546 0.00157659 -3.53982 63.546000 Cu 0.580467 0.394814 7.59748e-17 752 63.546 0.0009545 -3.53983 63.546000 Cu 0.590752 0.412237 0.5 753 63.546 0.00500029 -3.53967 63.546000 Cu 0.72045 0.389956 4.7364e-17 699 63.546 0.00104216 -3.53982 63.546000 Cu 0.799866 0.405221 3.13757e-17 700 63.546 0.00177063 -3.53967 63.546000 Cu 0.790141 0.387564 0.5 701 63.546 0.000266334 -3.53987 63.546000 Cu 0.730212 0.407593 0.5 702 63.546 0.00100513 -3.53973 63.546000 Cu 0.999971 0.379974 1 707 63.546 0.000355245 -3.5399 63.546000 Cu 0.859873 0.385105 1 703 63.546 0.000649558 -3.53987 63.546000 Cu 0.93987 0.400056 0 704 63.546 0.00140064 -3.5398 63.546000 Cu 0.92982 0.382561 0.5 705 63.546 0.000791098 -3.53987 63.546000 Cu 0.86974 0.402694 0.5 706 63.546 0.00239602 -3.53968 63.546000 Cu 0.0206983 0.414773 1.99554e-17 736 63.546 0.00227446 -3.53974 63.546000 Cu 0.101067 0.429762 1 737 63.546 0.0185108 -3.53836 63.546000 Cu 0.0316424 0.432199 0.5 739 63.546 0.0117298 -3.53885 63.546000 Cu 0.1108 0.447677 0.5 766 63.546 0.0277925 -3.53364 63.546000 Cu 0.239397 0.425318 2.94523e-17 741 63.546 0.00499393 -3.53911 63.546000 Cu 0.17003 0.42757 0.5 743 63.546 0.00491601 -3.53894 63.546000 Cu 0.178639 0.445519 2.28405e-17 768 63.546 0.0203214 -3.5347 63.546000 Cu 0.247786 0.443039 0.5 770 63.546 0.0292153 -3.53443 63.546000 Cu 0.37983 0.420214 0 745 63.546 0.00583593 -3.5393 63.546000 Cu 0.309362 0.422856 0.5 747 63.546 0.00836951 -3.5389 63.546000 Cu 0.318742 0.440285 4.72438e-17 772 63.546 0.0209926 -3.53574 63.546000 Cu 0.390269 0.437541 0.5 774 63.546 0.0120963 -3.53717 63.546000 Cu 0.520698 0.414773 5.93854e-17 749 63.546 0.00227446 -3.53974 63.546000 Cu 0.450298 0.417483 0.5 751 63.546 0.0017885 -3.53967 63.546000 Cu 0.461583 0.434785 0 776 63.546 0.0065941 -3.53842 63.546000 Cu 0.531642 0.432199 0.5 778 63.546 0.0117298 -3.53885 63.546000 Cu 0.678639 0.445519 4.06321e-17 726 63.546 0.0203214 -3.5347 63.546000 Cu 0.67003 0.42757 0.5 727 63.546 0.00491601 -3.53894 63.546000 Cu 0.601067 0.429762 1 780 63.546 0.0185108 -3.53836 63.546000 Cu 0.6108 0.447677 0.5 781 63.546 0.0277925 -3.53364 63.546000 Cu 0.739397 0.425318 2.88512e-18 728 63.546 0.00499393 -3.53911 63.546000 Cu 0.818742 0.440285 0 729 63.546 0.0209926 -3.53574 63.546000 Cu 0.809362 0.422856 0.5 730 63.546 0.00836951 -3.5389 63.546000 Cu 0.747786 0.443039 0.5 731 63.546 0.0292153 -3.53443 63.546000 Cu 0.87983 0.420214 0 732 63.546 0.00583593 -3.5393 63.546000 Cu 0.961583 0.434785 4.3397e-17 733 63.546 0.0065941 -3.53842 63.546000 Cu 0.950298 0.417483 0.5 734 63.546 0.0017885 -3.53967 63.546000 Cu 0.890269 0.437541 0.5 735 63.546 0.0120963 -3.53717 63.546000 Cu 0.0432044 0.449786 1.20213e-19 764 63.546 0.0538496 -3.53156 63.546000 Cu 0.120454 0.466226 1 765 63.546 0.0399148 -3.51768 63.546000 Cu 0.0542045 0.468012 0.5 767 63.546 0.103122 -3.52089 63.546000 Cu 0.255962 0.46063 1 769 63.546 0.122299 -3.51792 63.546000 Cu 0.186253 0.46386 0.5 771 63.546 0.134389 -3.51268 63.546000 Cu 0.263893 0.477846 0.5 793 63.546 0.77808 -3.43165 63.546000 Cu 0.412171 0.471248 0.5 402 63.546 0.0591403 -3.52287 63.546000 Cu 0.401591 0.454461 2.28405e-17 773 63.546 0.0224401 -3.53158 63.546000 Cu 0.327969 0.457316 0.5 775 63.546 0.0455399 -3.52379 63.546000 Cu 0.339073 0.47355 1.00498e-16 795 63.546 0.113208 -3.51333 63.546000 Cu 0.554204 0.468012 0.5 18 63.546 0.103122 -3.52089 63.546000 Cu 0.485233 0.469243 1.73107e-17 395 63.546 0.167292 -3.52002 63.546000 Cu 0.543204 0.449786 6.73194e-18 777 63.546 0.0538496 -3.53156 63.546000 Cu 0.47335 0.452085 0.5 779 63.546 0.0394757 -3.53407 63.546000 Cu 0.620454 0.466226 1.09033e-16 7 63.546 0.0399148 -3.51768 63.546000 Cu 0.686253 0.46386 0.5 755 63.546 0.134389 -3.51268 63.546000 Cu 0.755962 0.46063 7.81386e-18 756 63.546 0.122299 -3.51792 63.546000 Cu 0.839073 0.47355 6.16694e-17 757 63.546 0.113208 -3.51333 63.546000 Cu 0.827969 0.457316 0.5 758 63.546 0.0455399 -3.52379 63.546000 Cu 0.763893 0.477846 0.5 759 63.546 0.77808 -3.43165 63.546000 Cu 0.901591 0.454461 2.39224e-17 760 63.546 0.0224401 -3.53158 63.546000 Cu 0.985233 0.469243 0 761 63.546 0.167292 -3.52002 63.546000 Cu 0.97335 0.452085 0.5 762 63.546 0.0394757 -3.53407 63.546000 Cu 0.912171 0.471248 0.5 763 63.546 0.0591403 -3.52287 63.546000 Cu 0.13055 0.485755 0.5 790 63.546 0.28201 -3.47273 63.546000 Cu 0.0670621 0.504891 0.5 5 63.546 0.272267 -3.52905 63.546000 Cu 0.062693 0.486448 0 788 63.546 0.117262 -3.52145 63.546000 Cu 0.138101 0.504889 0 789 63.546 1.0721 -3.47786 63.546000 Cu 0.193986 0.482925 0 791 63.546 0.960577 -3.41253 63.546000 Cu 0.278012 0.51644 7.26088e-17 6 63.546 9.09852 -3.3237 63.546000 Cu 0.27809 0.493298 1.20213e-18 792 63.546 9.10194 -3.32229 63.546000 Cu 0.2108 0.504888 0.5 794 63.546 7.16578 -3.26405 63.546000 Cu 0.359984 0.504882 2.28405e-17 9 63.546 6.17563 -3.41191 63.546000 Cu 0.348824 0.48952 0.5 401 63.546 4.50719 -3.4163 63.546000 Cu 0.423719 0.487581 9.37663e-17 796 63.546 0.37498 -3.50295 63.546000 Cu 0.427768 0.504871 0.5 11 63.546 0.452929 -3.52055 63.546000 Cu 0.497118 0.504879 4.68832e-17 12 63.546 0.179272 -3.53646 63.546000 Cu 0.567062 0.504891 0.5 14 63.546 0.272267 -3.52905 63.546000 Cu 0.493456 0.487006 0.5 16 63.546 0.142888 -3.52734 63.546000 Cu 0.562693 0.486448 0 393 63.546 0.117262 -3.52145 63.546000 Cu 0.63055 0.485755 0.5 4 63.546 0.28201 -3.47273 63.546000 Cu 0.693986 0.482925 2.80097e-17 754 63.546 0.960577 -3.41253 63.546000 Cu 0.638101 0.504889 0 782 63.546 1.0721 -3.47786 63.546000 Cu 0.7108 0.504888 0.5 783 63.546 7.16578 -3.26405 63.546000 Cu 0.778012 0.51644 3.76268e-17 20 63.546 9.09852 -3.3237 63.546000 Cu 0.77809 0.493298 2.28405e-17 784 63.546 9.10194 -3.32229 63.546000 Cu 0.848824 0.48952 0.5 785 63.546 4.50719 -3.4163 63.546000 Cu 0.997118 0.504879 1 2 63.546 0.179272 -3.53646 63.546000 Cu 0.859984 0.504882 1 1 63.546 6.17563 -3.41191 63.546000 Cu 0.927768 0.504871 0.5 3 63.546 0.452929 -3.52055 63.546000 Cu 0.923719 0.487581 1 786 63.546 0.37498 -3.50295 63.546000 Cu 0.993456 0.487006 0.5 787 63.546 0.142888 -3.52734 63.546000 Cu 0.0626527 0.523308 0 28 63.546 0.120209 -3.52125 63.546000 Cu 0.120277 0.543555 6.43141e-17 29 63.546 0.0405328 -3.51761 63.546000 Cu 0.130403 0.524006 0.5 30 63.546 0.282028 -3.47211 63.546000 Cu 0.0540253 0.541752 0.5 31 63.546 0.101447 -3.52058 63.546000 Cu 0.193833 0.526846 4.07523e-17 32 63.546 0.9575 -3.41387 63.546000 Cu 0.25582 0.549118 2.63267e-17 33 63.546 0.122834 -3.51813 63.546000 Cu 0.263718 0.531892 0.5 34 63.546 0.780756 -3.43251 63.546000 Cu 0.186138 0.545923 0.5 35 63.546 0.130853 -3.51299 63.546000 Cu 0.348757 0.520239 0.5 8 63.546 4.52123 -3.41654 63.546000 Cu 0.423698 0.522177 2.30809e-17 10 63.546 0.380035 -3.5024 63.546000 Cu 0.338941 0.536213 2.30809e-17 36 63.546 0.116045 -3.51308 63.546000 Cu 0.412082 0.538513 0.5 39 63.546 0.0609078 -3.52286 63.546000 Cu 0.562653 0.523308 0 13 63.546 0.120209 -3.52125 63.546000 Cu 0.493399 0.522739 0.5 15 63.546 0.141493 -3.52728 63.546000 Cu 0.485074 0.540522 7.74173e-17 40 63.546 0.165895 -3.51967 63.546000 Cu 0.554025 0.541752 0.5 42 63.546 0.101447 -3.52058 63.546000 Cu 0.693833 0.526846 3.24576e-17 17 63.546 0.9575 -3.41387 63.546000 Cu 0.630403 0.524006 0.5 19 63.546 0.282028 -3.47211 63.546000 Cu 0.620277 0.543555 2.07969e-17 44 63.546 0.0405328 -3.51761 63.546000 Cu 0.686138 0.545923 0.5 46 63.546 0.130853 -3.51299 63.546000 Cu 0.838941 0.536213 8.69142e-17 21 63.546 0.116045 -3.51308 63.546000 Cu 0.848757 0.520239 0.5 22 63.546 4.52123 -3.41654 63.546000 Cu 0.763718 0.531892 0.5 23 63.546 0.780756 -3.43251 63.546000 Cu 0.75582 0.549118 9.54493e-17 48 63.546 0.122834 -3.51813 63.546000 Cu 0.923698 0.522177 0 24 63.546 0.380035 -3.5024 63.546000 Cu 0.985074 0.540522 2.28405e-17 25 63.546 0.165895 -3.51967 63.546000 Cu 0.993399 0.522739 0.5 26 63.546 0.141493 -3.52728 63.546000 Cu 0.912082 0.538513 0.5 27 63.546 0.0609078 -3.52286 63.546000 Cu 0.0429806 0.560001 5.18119e-17 56 63.546 0.0540288 -3.53147 63.546000 Cu 0.100908 0.580006 2.04363e-18 57 63.546 0.017482 -3.53837 63.546000 Cu 0.110575 0.562096 0.5 58 63.546 0.0271648 -3.53378 63.546000 Cu 0.0314682 0.577588 0.5 59 63.546 0.0122356 -3.53888 63.546000 Cu 0.178501 0.564253 1.33437e-16 60 63.546 0.0189881 -3.53492 63.546000 Cu 0.239195 0.584457 0 61 63.546 0.00495156 -3.53904 63.546000 Cu 0.247666 0.566715 0.5 62 63.546 0.0284147 -3.53452 63.546000 Cu 0.169861 0.582196 0.5 63 63.546 0.00432372 -3.53893 63.546000 Cu 0.327811 0.552435 0.5 37 63.546 0.046652 -3.52353 63.546000 Cu 0.401419 0.555308 1.27306e-16 38 63.546 0.0228181 -3.53167 63.546000 Cu 0.318556 0.569477 1 64 63.546 0.0216715 -3.53578 63.546000 Cu 0.390053 0.572236 0.5 67 63.546 0.0119108 -3.53719 63.546000 Cu 0.542981 0.560001 0 41 63.546 0.0540288 -3.53147 63.546000 Cu 0.473147 0.557696 0.5 43 63.546 0.0391862 -3.53403 63.546000 Cu 0.461371 0.574996 1.50267e-17 68 63.546 0.0061976 -3.53843 63.546000 Cu 0.531468 0.577588 0.5 70 63.546 0.0122356 -3.53888 63.546000 Cu 0.678501 0.564253 5.90247e-17 45 63.546 0.0189881 -3.53492 63.546000 Cu 0.610575 0.562096 0.5 47 63.546 0.0271648 -3.53378 63.546000 Cu 0.600908 0.580006 0 72 63.546 0.017482 -3.53837 63.546000 Cu 0.669861 0.582196 0.5 74 63.546 0.00432372 -3.53893 63.546000 Cu 0.818556 0.569477 1.67818e-16 49 63.546 0.0216715 -3.53578 63.546000 Cu 0.827811 0.552435 0.5 50 63.546 0.046652 -3.52353 63.546000 Cu 0.747666 0.566715 0.5 51 63.546 0.0284147 -3.53452 63.546000 Cu 0.739195 0.584457 4.85662e-17 76 63.546 0.00495156 -3.53904 63.546000 Cu 0.901419 0.555308 1.08192e-18 52 63.546 0.0228181 -3.53167 63.546000 Cu 0.961371 0.574996 2.28405e-17 53 63.546 0.0061976 -3.53843 63.546000 Cu 0.973147 0.557696 0.5 54 63.546 0.0391862 -3.53403 63.546000 Cu 0.890053 0.572236 0.5 55 63.546 0.0119108 -3.53719 63.546000 Cu 0.0205368 0.595008 1.27546e-16 84 63.546 0.00201669 -3.53975 63.546000 Cu 0.0802437 0.61499 5.55385e-17 85 63.546 0.00094269 -3.53987 63.546000 Cu 0.0905997 0.597545 0.5 86 63.546 0.00488221 -3.53967 63.546000 Cu 0.00996311 0.612399 0.5 87 63.546 0.000478974 -3.53987 63.546000 Cu 0.160401 0.599915 0 88 63.546 0.00417227 -3.53957 63.546000 Cu 0.220193 0.619853 8.06631e-17 89 63.546 0.000913289 -3.53983 63.546000 Cu 0.229957 0.602201 0.5 90 63.546 0.000911996 -3.53967 63.546000 Cu 0.150326 0.617462 0.5 91 63.546 0.00157014 -3.53983 63.546000 Cu 0.309138 0.586936 0.5 65 63.546 0.0077721 -3.53884 63.546000 Cu 0.379584 0.589579 5.65002e-18 66 63.546 0.00571556 -3.53922 63.546000 Cu 0.299605 0.604585 0 92 63.546 0.00155086 -3.53962 63.546000 Cu 0.369522 0.607109 0.5 95 63.546 0.00233315 -3.53963 63.546000 Cu 0.520537 0.595008 1 69 63.546 0.00201669 -3.53975 63.546000 Cu 0.450119 0.592305 0.5 71 63.546 0.0017524 -3.53964 63.546000 Cu 0.439682 0.609746 7.12865e-17 96 63.546 0.00138417 -3.53976 63.546000 Cu 0.509963 0.612399 0.5 98 63.546 0.000478974 -3.53987 63.546000 Cu 0.660401 0.599915 1.71905e-17 73 63.546 0.00417227 -3.53957 63.546000 Cu 0.5906 0.597545 0.5 75 63.546 0.00488221 -3.53967 63.546000 Cu 0.580244 0.61499 0 100 63.546 0.00094269 -3.53987 63.546000 Cu 0.650326 0.617462 0.5 102 63.546 0.00157014 -3.53983 63.546000 Cu 0.799605 0.604585 0 77 63.546 0.00155086 -3.53962 63.546000 Cu 0.809138 0.586936 0.5 78 63.546 0.0077721 -3.53884 63.546000 Cu 0.729957 0.602201 0.5 79 63.546 0.000911996 -3.53967 63.546000 Cu 0.720193 0.619853 0 104 63.546 0.000913289 -3.53983 63.546000 Cu 0.879584 0.589579 0 80 63.546 0.00571556 -3.53922 63.546000 Cu 0.939682 0.609746 1 81 63.546 0.00138417 -3.53976 63.546000 Cu 0.950119 0.592305 0.5 82 63.546 0.0017524 -3.53964 63.546000 Cu 0.869522 0.607109 0.5 83 63.546 0.00233315 -3.53963 63.546000 Cu 0.0598954 0.649893 2.58459e-17 113 63.546 7.4694e-05 -3.53995 63.546000 Cu 0.0699816 0.632423 0.5 114 63.546 0.000159091 -3.53993 63.546000 Cu 0.140158 0.634946 0 116 63.546 0.000378346 -3.53994 63.546000 Cu 0.130043 0.652423 0.5 119 63.546 5.8818e-05 -3.53997 63.546000 Cu 0.200111 0.654928 1.53873e-17 117 63.546 0.000153941 -3.53998 63.546000 Cu 0.210174 0.63741 0.5 118 63.546 0.000449879 -3.53994 63.546000 Cu 0.280039 0.639849 2.28405e-17 120 63.546 0.000177668 -3.53994 63.546000 Cu 0.289905 0.622245 0.5 93 63.546 0.00023525 -3.53985 63.546000 Cu 0.359686 0.624708 1.20213e-17 94 63.546 0.00061113 -3.53982 63.546000 Cu 0.349852 0.642308 0.5 122 63.546 9.84931e-05 -3.53993 63.546000 Cu 0.419742 0.644811 0 124 63.546 0.000224823 -3.53992 63.546000 Cu 0.499771 0.629849 2.16384e-17 97 63.546 0.000382171 -3.53989 63.546000 Cu 0.429639 0.627257 0.5 99 63.546 0.00075746 -3.53983 63.546000 Cu 0.569982 0.632423 0.5 103 63.546 0.000159091 -3.53993 63.546000 Cu 0.489763 0.647346 0.5 126 63.546 0.000222659 -3.53993 63.546000 Cu 0.559895 0.649893 0 128 63.546 7.4694e-05 -3.53995 63.546000 Cu 0.640158 0.634946 0 101 63.546 0.000378346 -3.53994 63.546000 Cu 0.710174 0.63741 0.5 107 63.546 0.000449879 -3.53994 63.546000 Cu 0.630043 0.652423 0.5 130 63.546 5.8818e-05 -3.53997 63.546000 Cu 0.700111 0.654928 5.38555e-17 132 63.546 0.000153941 -3.53998 63.546000 Cu 0.780039 0.639849 2.28405e-17 105 63.546 0.000177668 -3.53994 63.546000 Cu 0.789905 0.622245 0.5 106 63.546 0.00023525 -3.53985 63.546000 Cu 0.849852 0.642308 0.5 111 63.546 9.84931e-05 -3.53993 63.546000 Cu 0.999771 0.629849 0 112 63.546 0.000382171 -3.53989 63.546000 Cu 0.859686 0.624708 1.99554e-17 108 63.546 0.00061113 -3.53982 63.546000 Cu 0.919742 0.644811 2.28405e-17 109 63.546 0.000224823 -3.53992 63.546000 Cu 0.929639 0.627257 0.5 110 63.546 0.00075746 -3.53983 63.546000 Cu 0.989763 0.647346 0.5 115 63.546 0.000222659 -3.53993 63.546000 Cu 0.0399211 0.684899 2.28405e-17 141 63.546 3.16306e-05 -3.53998 63.546000 Cu 0.0498995 0.667389 0.5 142 63.546 4.65679e-05 -3.53997 63.546000 Cu 0.119984 0.669914 1 144 63.546 1.33513e-05 -3.53998 63.546000 Cu 0.109952 0.687416 0.5 147 63.546 1.19877e-05 -3.53998 63.546000 Cu 0.270063 0.657409 0.5 123 63.546 0.00013522 -3.53998 63.546000 Cu 0.190041 0.672433 0.5 146 63.546 3.27502e-05 -3.53999 63.546000 Cu 0.260038 0.674937 7.8379e-17 148 63.546 6.24664e-05 -3.53999 63.546000 Cu 0.339944 0.659881 2.76491e-17 121 63.546 4.06944e-05 -3.53997 63.546000 Cu 0.409848 0.662365 0.5 127 63.546 5.30863e-05 -3.53997 63.546000 Cu 0.329992 0.677425 0.5 150 63.546 4.25718e-05 -3.53999 63.546000 Cu 0.399939 0.679907 0 152 63.546 9.48025e-06 -3.53999 63.546000 Cu 0.479837 0.66487 4.6763e-17 125 63.546 7.54373e-05 -3.53996 63.546000 Cu 0.5499 0.667389 0.5 131 63.546 4.65679e-05 -3.53997 63.546000 Cu 0.469911 0.682395 0.5 154 63.546 2.44525e-05 -3.53998 63.546000 Cu 0.539921 0.684899 2.15182e-17 156 63.546 3.16306e-05 -3.53998 63.546000 Cu 0.619984 0.669914 0 129 63.546 1.33513e-05 -3.53998 63.546000 Cu 0.690041 0.672433 0.5 135 63.546 3.27502e-05 -3.53999 63.546000 Cu 0.609952 0.687416 0.5 158 63.546 1.19877e-05 -3.53998 63.546000 Cu 0.760038 0.674937 1 133 63.546 6.24664e-05 -3.53999 63.546000 Cu 0.770063 0.657409 0.5 134 63.546 0.00013522 -3.53998 63.546000 Cu 0.839944 0.659881 0 136 63.546 4.06944e-05 -3.53997 63.546000 Cu 0.829992 0.677425 0.5 139 63.546 4.25718e-05 -3.53999 63.546000 Cu 0.899939 0.679907 0 137 63.546 9.48025e-06 -3.53999 63.546000 Cu 0.909848 0.662365 0.5 138 63.546 5.30863e-05 -3.53997 63.546000 Cu 0.979837 0.66487 2.28405e-17 140 63.546 7.54373e-05 -3.53996 63.546000 Cu 0.969911 0.682395 0.5 143 63.546 2.44525e-05 -3.53998 63.546000 Cu 0.0199687 0.719941 0 169 63.546 2.9398e-06 -3.53999 63.546000 Cu 0.0299431 0.702418 0.5 170 63.546 1.34107e-05 -3.53999 63.546000 Cu 0.0999369 0.704926 0 172 63.546 1.36112e-05 -3.53999 63.546000 Cu 0.0899512 0.722441 0.5 175 63.546 5.79471e-06 -3.53999 63.546000 Cu 0.179983 0.689935 2.28405e-17 145 63.546 3.46656e-06 -3.53999 63.546000 Cu 0.250006 0.692448 0.5 151 63.546 1.88006e-05 -3.53999 63.546000 Cu 0.169955 0.70744 0.5 174 63.546 4.64064e-06 -3.53999 63.546000 Cu 0.239986 0.709952 1.55075e-17 176 63.546 3.19955e-06 -3.53999 63.546000 Cu 0.320012 0.694946 2.28405e-17 149 63.546 2.55181e-05 -3.53999 63.546000 Cu 0.389997 0.697434 0.5 155 63.546 1.04453e-05 -3.53999 63.546000 Cu 0.31001 0.712457 0.5 178 63.546 9.53699e-06 -3.53999 63.546000 Cu 0.380015 0.714954 7.03248e-17 180 63.546 1.20769e-05 -3.53999 63.546000 Cu 0.45997 0.699923 2.26001e-17 153 63.546 4.44987e-06 -3.53999 63.546000 Cu 0.529943 0.702418 0.5 159 63.546 1.34107e-05 -3.53999 63.546000 Cu 0.449996 0.717446 0.5 182 63.546 4.79804e-06 -3.53999 63.546000 Cu 0.519969 0.719941 2.28405e-17 184 63.546 2.9398e-06 -3.53999 63.546000 Cu 0.599937 0.704926 5.89045e-18 157 63.546 1.36112e-05 -3.53999 63.546000 Cu 0.679983 0.689935 2.28405e-17 160 63.546 3.46656e-06 -3.53999 63.546000 Cu 0.669955 0.70744 0.5 163 63.546 4.64064e-06 -3.53999 63.546000 Cu 0.589951 0.722441 0.5 186 63.546 5.79471e-06 -3.53999 63.546000 Cu 0.739986 0.709952 2.28405e-17 161 63.546 3.19955e-06 -3.53999 63.546000 Cu 0.750006 0.692448 0.5 162 63.546 1.88006e-05 -3.53999 63.546000 Cu 0.820012 0.694946 0 164 63.546 2.55181e-05 -3.53999 63.546000 Cu 0.81001 0.712457 0.5 167 63.546 9.53699e-06 -3.53999 63.546000 Cu 0.880015 0.714954 2.28405e-17 165 63.546 1.20769e-05 -3.53999 63.546000 Cu 0.889997 0.697434 0.5 166 63.546 1.04453e-05 -3.53999 63.546000 Cu 0.95997 0.699923 2.28405e-17 168 63.546 4.44987e-06 -3.53999 63.546000 Cu 0.949996 0.717446 0.5 171 63.546 4.79804e-06 -3.53999 63.546000 Cu 0.00998429 0.737455 0.5 198 63.546 2.01917e-06 -3.53999 63.546000 Cu 0.0799716 0.739952 0 200 63.546 1.86166e-06 -3.53999 63.546000 Cu 0.06998 0.757459 0.5 203 63.546 1.01205e-06 -3.53999 63.546000 Cu 0.159956 0.724947 1 173 63.546 4.30361e-06 -3.53999 63.546000 Cu 0.229977 0.727455 0.5 179 63.546 1.17244e-06 -3.53999 63.546000 Cu 0.14997 0.742453 0.5 202 63.546 1.69652e-06 -3.53999 63.546000 Cu 0.21998 0.744958 1 204 63.546 4.43264e-07 -3.53999 63.546000 Cu 0.299999 0.729962 0 177 63.546 2.94656e-06 -3.53999 63.546000 Cu 0.370007 0.732464 0.5 183 63.546 4.75192e-06 -3.53999 63.546000 Cu 0.289993 0.747465 0.5 206 63.546 5.22498e-07 -3.53999 63.546000 Cu 0.360001 0.749968 3.2698e-17 209 63.546 1.62328e-06 -3.53999 63.546000 Cu 0.44 0.734961 1.71905e-17 181 63.546 4.09429e-06 -3.53999 63.546000 Cu 0.509984 0.737455 0.5 187 63.546 2.01917e-06 -3.53999 63.546000 Cu 0.429999 0.752467 0.5 211 63.546 9.17009e-07 -3.53999 63.546000 Cu 0.49999 0.754963 0 212 63.546 8.33975e-08 -3.53999 63.546000 Cu 0.56998 0.757459 0.5 214 63.546 1.01205e-06 -3.53999 63.546000 Cu 0.579972 0.739952 0 185 63.546 1.86166e-06 -3.53999 63.546000 Cu 0.659956 0.724947 0 188 63.546 4.30361e-06 -3.53999 63.546000 Cu 0.64997 0.742453 0.5 191 63.546 1.69652e-06 -3.53999 63.546000 Cu 0.71998 0.744958 5.65002e-18 189 63.546 4.43264e-07 -3.53999 63.546000 Cu 0.729977 0.727455 0.5 190 63.546 1.17244e-06 -3.53999 63.546000 Cu 0.799999 0.729962 0 192 63.546 2.94656e-06 -3.53999 63.546000 Cu 0.789993 0.747465 0.5 195 63.546 5.22498e-07 -3.53999 63.546000 Cu 0.99999 0.754963 3.72661e-17 197 63.546 8.33975e-08 -3.53999 63.546000 Cu 0.860001 0.749968 6.11886e-17 193 63.546 1.62328e-06 -3.53999 63.546000 Cu 0.870007 0.732464 0.5 194 63.546 4.75192e-06 -3.53999 63.546000 Cu 0.94 0.734961 2.27203e-17 196 63.546 4.09429e-06 -3.53999 63.546000 Cu 0.929999 0.752467 0.5 199 63.546 9.17009e-07 -3.53999 63.546000 Cu 0.139976 0.759958 1.0134e-16 201 63.546 1.87337e-06 -3.53999 63.546000 Cu 0.0599803 0.774967 4.7364e-17 228 63.546 3.38215e-06 -3.53999 63.546000 Cu 0.129972 0.777464 0.5 230 63.546 4.05957e-06 -3.53999 63.546000 Cu 0.0499895 0.792482 0.5 231 63.546 2.10343e-06 -3.53999 63.546000 Cu 0.279996 0.764967 1 205 63.546 2.56197e-07 -3.53999 63.546000 Cu 0.209983 0.762461 0.5 207 63.546 7.31733e-07 -3.53999 63.546000 Cu 0.199977 0.779965 7.06854e-17 232 63.546 2.51201e-06 -3.53999 63.546000 Cu 0.269997 0.782471 0.5 234 63.546 5.70935e-07 -3.53999 63.546000 Cu 0.350007 0.767472 0.5 208 63.546 1.51081e-06 -3.53999 63.546000 Cu 0.420008 0.769974 1.81522e-17 210 63.546 1.94137e-06 -3.53999 63.546000 Cu 0.340018 0.784979 4.35172e-17 236 63.546 2.78477e-06 -3.53999 63.546000 Cu 0.410026 0.787485 0.5 239 63.546 4.93827e-06 -3.53999 63.546000 Cu 0.55998 0.774967 5.30141e-17 213 63.546 3.38215e-06 -3.53999 63.546000 Cu 0.489997 0.772471 0.5 215 63.546 1.66252e-06 -3.53999 63.546000 Cu 0.480013 0.789986 1.08192e-17 240 63.546 2.0736e-06 -3.53999 63.546000 Cu 0.54999 0.792482 0.5 242 63.546 2.10343e-06 -3.53999 63.546000 Cu 0.639976 0.759958 1.05667e-16 216 63.546 1.87337e-06 -3.53999 63.546000 Cu 0.699977 0.779965 4.59215e-17 217 63.546 2.51201e-06 -3.53999 63.546000 Cu 0.709983 0.762461 0.5 218 63.546 7.31733e-07 -3.53999 63.546000 Cu 0.629972 0.777464 0.5 219 63.546 4.05957e-06 -3.53999 63.546000 Cu 0.779996 0.764967 5.32545e-17 220 63.546 2.56197e-07 -3.53999 63.546000 Cu 0.840018 0.784979 3.41406e-17 221 63.546 2.78477e-06 -3.53999 63.546000 Cu 0.850007 0.767472 0.5 222 63.546 1.51081e-06 -3.53999 63.546000 Cu 0.769997 0.782471 0.5 223 63.546 5.70935e-07 -3.53999 63.546000 Cu 0.920008 0.769974 7.98216e-17 224 63.546 1.94137e-06 -3.53999 63.546000 Cu 0.980013 0.789986 1.56277e-17 225 63.546 2.0736e-06 -3.53999 63.546000 Cu 0.989997 0.772471 0.5 226 63.546 1.66252e-06 -3.53999 63.546000 Cu 0.910026 0.787485 0.5 227 63.546 4.93827e-06 -3.53999 63.546000 Cu 0.119971 0.794975 6.23907e-17 229 63.546 8.09342e-06 -3.53999 63.546000 Cu 0.0400175 0.810003 0 256 63.546 3.56688e-06 -3.53999 63.546000 Cu 0.109998 0.812492 0.5 258 63.546 6.29687e-06 -3.53999 63.546000 Cu 0.030073 0.827527 0.5 259 63.546 1.52104e-05 -3.53998 63.546000 Cu 0.259993 0.799975 2.28405e-17 233 63.546 3.38923e-06 -3.53999 63.546000 Cu 0.189973 0.797471 0.5 235 63.546 8.24698e-06 -3.53999 63.546000 Cu 0.179982 0.814982 9.22036e-17 260 63.546 1.89873e-05 -3.53999 63.546000 Cu 0.249978 0.817481 0.5 262 63.546 1.69084e-05 -3.53999 63.546000 Cu 0.330017 0.802485 0.5 237 63.546 2.66234e-06 -3.53999 63.546000 Cu 0.400032 0.804998 5.92651e-17 238 63.546 7.10157e-06 -3.53999 63.546000 Cu 0.319995 0.819992 2.28405e-17 264 63.546 2.71589e-06 -3.53999 63.546000 Cu 0.390025 0.822509 0.5 267 63.546 9.01641e-06 -3.53998 63.546000 Cu 0.540018 0.810003 0 241 63.546 3.56688e-06 -3.53999 63.546000 Cu 0.470032 0.807506 0.5 243 63.546 9.10803e-06 -3.53999 63.546000 Cu 0.46006 0.825023 0 268 63.546 2.01786e-05 -3.53998 63.546000 Cu 0.530073 0.827527 0.5 270 63.546 1.52104e-05 -3.53998 63.546000 Cu 0.619971 0.794975 2.26001e-17 244 63.546 8.09342e-06 -3.53999 63.546000 Cu 0.679982 0.814982 2.28405e-17 245 63.546 1.89873e-05 -3.53999 63.546000 Cu 0.689973 0.797471 0.5 246 63.546 8.24698e-06 -3.53999 63.546000 Cu 0.609998 0.812492 0.5 247 63.546 6.29687e-06 -3.53999 63.546000 Cu 0.759993 0.799975 1 248 63.546 3.38923e-06 -3.53999 63.546000 Cu 0.819995 0.819992 1 249 63.546 2.71589e-06 -3.53999 63.546000 Cu 0.830017 0.802485 0.5 250 63.546 2.66234e-06 -3.53999 63.546000 Cu 0.749978 0.817481 0.5 251 63.546 1.69084e-05 -3.53999 63.546000 Cu 0.900032 0.804998 5.54183e-17 252 63.546 7.10157e-06 -3.53999 63.546000 Cu 0.96006 0.825023 5.19321e-17 253 63.546 2.01786e-05 -3.53998 63.546000 Cu 0.970032 0.807506 0.5 254 63.546 9.10803e-06 -3.53999 63.546000 Cu 0.890025 0.822509 0.5 255 63.546 9.01641e-06 -3.53998 63.546000 Cu 0.100049 0.830019 8.23461e-17 257 63.546 1.05181e-05 -3.53999 63.546000 Cu 0.0201468 0.845055 7.57344e-18 284 63.546 6.38502e-05 -3.53997 63.546000 Cu 0.0901197 0.84756 0.5 286 63.546 3.60499e-05 -3.53997 63.546000 Cu 0.239952 0.834996 2.28405e-17 261 63.546 4.05371e-05 -3.53999 63.546000 Cu 0.169995 0.832505 0.5 263 63.546 2.92528e-05 -3.53999 63.546000 Cu 0.160028 0.850046 3.00533e-17 288 63.546 3.67085e-05 -3.53998 63.546000 Cu 0.229931 0.852521 0.5 290 63.546 0.000109848 -3.53998 63.546000 Cu 0.309954 0.837498 0.5 265 63.546 2.46947e-05 -3.53999 63.546000 Cu 0.380017 0.840014 1.75511e-17 266 63.546 1.2581e-05 -3.53998 63.546000 Cu 0.299902 0.855003 1 292 63.546 0.000115816 -3.53998 63.546000 Cu 0.369971 0.857506 0.5 295 63.546 5.00631e-05 -3.53997 63.546000 Cu 0.520147 0.845055 1.73107e-17 269 63.546 6.38502e-05 -3.53997 63.546000 Cu 0.450099 0.842537 0.5 271 63.546 4.40967e-05 -3.53997 63.546000 Cu 0.440101 0.860035 1.20213e-19 296 63.546 7.75882e-05 -3.53995 63.546000 Cu 0.600049 0.830019 4.65225e-17 272 63.546 1.05181e-05 -3.53999 63.546000 Cu 0.660028 0.850046 1 273 63.546 3.67085e-05 -3.53998 63.546000 Cu 0.669995 0.832505 0.5 274 63.546 2.92528e-05 -3.53999 63.546000 Cu 0.59012 0.84756 0.5 275 63.546 3.60499e-05 -3.53997 63.546000 Cu 0.739952 0.834996 3.91895e-17 276 63.546 4.05371e-05 -3.53999 63.546000 Cu 0.799902 0.855003 8.18652e-17 277 63.546 0.000115816 -3.53998 63.546000 Cu 0.809954 0.837498 0.5 278 63.546 2.46947e-05 -3.53999 63.546000 Cu 0.729931 0.852521 0.5 279 63.546 0.000109848 -3.53998 63.546000 Cu 0.880017 0.840014 6.61173e-17 280 63.546 1.2581e-05 -3.53998 63.546000 Cu 0.940101 0.860035 0 281 63.546 7.75882e-05 -3.53995 63.546000 Cu 0.950099 0.842537 0.5 282 63.546 4.40967e-05 -3.53997 63.546000 Cu 0.869971 0.857506 0.5 283 63.546 5.00631e-05 -3.53997 63.546000 Cu 0.0802325 0.865112 3.39001e-17 285 63.546 0.000192081 -3.53992 63.546000 Cu 0.0102163 0.86258 0.5 287 63.546 0.000203286 -3.53993 63.546000 Cu 0.0002224 0.880079 1.00619e-16 312 63.546 0.000372566 -3.53989 63.546000 Cu 0.0703582 0.882665 0.5 314 63.546 0.000732047 -3.53983 63.546000 Cu 0.140308 0.88521 1 316 63.546 0.000543652 -3.53982 63.546000 Cu 0.219953 0.870071 0 289 63.546 0.000204759 -3.53994 63.546000 Cu 0.150129 0.867612 0.5 291 63.546 8.97881e-05 -3.53994 63.546000 Cu 0.210081 0.887676 0.5 318 63.546 0.000239147 -3.53984 63.546000 Cu 0.279794 0.890073 4.94077e-17 320 63.546 0.000967927 -3.53983 63.546000 Cu 0.289826 0.872516 0.5 293 63.546 0.00044068 -3.53994 63.546000 Cu 0.35984 0.874984 4.13534e-17 294 63.546 0.00033784 -3.53994 63.546000 Cu 0.349668 0.892471 0.5 322 63.546 0.00150215 -3.53984 63.546000 Cu 0.419764 0.894943 2.28405e-18 324 63.546 0.000856517 -3.53987 63.546000 Cu 0.500222 0.880079 2.76491e-18 297 63.546 0.000372566 -3.53989 63.546000 Cu 0.510216 0.86258 0.5 298 63.546 0.000203286 -3.53993 63.546000 Cu 0.430012 0.877507 0.5 299 63.546 0.000141848 -3.53993 63.546000 Cu 0.570358 0.882665 0.5 303 63.546 0.000732047 -3.53983 63.546000 Cu 0.580232 0.865112 0 300 63.546 0.000192081 -3.53992 63.546000 Cu 0.640308 0.88521 0 301 63.546 0.000543652 -3.53982 63.546000 Cu 0.650129 0.867612 0.5 302 63.546 8.97881e-05 -3.53994 63.546000 Cu 0.710081 0.887676 0.5 307 63.546 0.000239147 -3.53984 63.546000 Cu 0.719953 0.870071 1 304 63.546 0.000204759 -3.53994 63.546000 Cu 0.779794 0.890073 2.28405e-17 305 63.546 0.000967927 -3.53983 63.546000 Cu 0.789826 0.872516 0.5 306 63.546 0.00044068 -3.53994 63.546000 Cu 0.849668 0.892471 0.5 311 63.546 0.00150215 -3.53984 63.546000 Cu 0.85984 0.874984 2.28405e-17 308 63.546 0.00033784 -3.53994 63.546000 Cu 0.919764 0.894943 1.51469e-17 309 63.546 0.000856517 -3.53987 63.546000 Cu 0.930012 0.877507 0.5 310 63.546 0.000141848 -3.53993 63.546000 Cu 0.0603332 0.900183 2.28405e-17 313 63.546 0.00142869 -3.53975 63.546000 Cu 0.130477 0.902817 0.5 319 63.546 0.00228968 -3.53961 63.546000 Cu 0.0499177 0.917628 0.5 342 63.546 0.00182233 -3.53965 63.546000 Cu 0.120421 0.920352 1 344 63.546 0.00576006 -3.53924 63.546000 Cu 0.200379 0.905342 0 317 63.546 0.00150781 -3.53961 63.546000 Cu 0.270034 0.907726 0.5 323 63.546 0.000917691 -3.53968 63.546000 Cu 0.190863 0.922994 0.5 346 63.546 0.00785042 -3.53883 63.546000 Cu 0.260803 0.925465 3.72661e-17 348 63.546 0.00482747 -3.53903 63.546000 Cu 0.339598 0.910012 2.28405e-17 321 63.546 0.00420698 -3.53959 63.546000 Cu 0.409433 0.912384 0.5 327 63.546 0.00478052 -3.53968 63.546000 Cu 0.330152 0.927726 0.5 350 63.546 0.00459538 -3.53893 63.546000 Cu 0.39912 0.929917 3.96704e-18 352 63.546 0.0180595 -3.53839 63.546000 Cu 0.479502 0.914923 4.55608e-17 325 63.546 0.00195413 -3.53976 63.546000 Cu 0.490056 0.897531 0.5 326 63.546 0.000507185 -3.53986 63.546000 Cu 0.560333 0.900183 1 328 63.546 0.00142869 -3.53975 63.546000 Cu 0.549918 0.917628 0.5 331 63.546 0.00182233 -3.53965 63.546000 Cu 0.620421 0.920352 1.20213e-19 329 63.546 0.00576006 -3.53924 63.546000 Cu 0.630477 0.902817 0.5 330 63.546 0.00228968 -3.53961 63.546000 Cu 0.700379 0.905342 1.2983e-17 332 63.546 0.00150781 -3.53961 63.546000 Cu 0.690863 0.922994 0.5 335 63.546 0.00785042 -3.53883 63.546000 Cu 0.760803 0.925465 6.62375e-17 333 63.546 0.00482747 -3.53903 63.546000 Cu 0.770034 0.907726 0.5 334 63.546 0.000917691 -3.53968 63.546000 Cu 0.839598 0.910012 2.89714e-17 336 63.546 0.00420698 -3.53959 63.546000 Cu 0.830152 0.927726 0.5 339 63.546 0.00459538 -3.53893 63.546000 Cu 0.990056 0.897531 0.5 315 63.546 0.000507185 -3.53986 63.546000 Cu 0.89912 0.929917 0 337 63.546 0.0180595 -3.53839 63.546000 Cu 0.909433 0.912384 0.5 338 63.546 0.00478052 -3.53968 63.546000 Cu 0.979502 0.914923 2.28405e-17 340 63.546 0.00195413 -3.53976 63.546000 Cu 0.0386715 0.934938 2.28405e-17 341 63.546 0.0061336 -3.53847 63.546000 Cu 0.10998 0.937697 0.5 347 63.546 0.0119958 -3.53722 63.546000 Cu 0.0268998 0.952235 0.5 370 63.546 0.0390216 -3.53405 63.546000 Cu 0.0986449 0.954628 1.25863e-16 372 63.546 0.0221124 -3.53171 63.546000 Cu 0.181471 0.940449 5.12109e-17 345 63.546 0.0212683 -3.5358 63.546000 Cu 0.25237 0.943207 0.5 351 63.546 0.0280517 -3.53453 63.546000 Cu 0.172239 0.957499 0.5 374 63.546 0.0465837 -3.52375 63.546000 Cu 0.244218 0.96081 0 376 63.546 0.121585 -3.51829 63.546000 Cu 0.321541 0.945674 5.18119e-17 349 63.546 0.0190222 -3.53487 63.546000 Cu 0.389431 0.947831 0.5 355 63.546 0.0273166 -3.53376 63.546000 Cu 0.313905 0.964001 0.5 378 63.546 0.130309 -3.51318 63.546000 Cu 0.45705 0.949927 0 353 63.546 0.0546435 -3.53152 63.546000 Cu 0.468587 0.932344 0.5 354 63.546 0.011955 -3.53889 63.546000 Cu 0.538671 0.934938 0 356 63.546 0.0061336 -3.53847 63.546000 Cu 0.5269 0.952235 0.5 359 63.546 0.0390216 -3.53405 63.546000 Cu 0.598645 0.954628 2.28405e-17 357 63.546 0.0221124 -3.53171 63.546000 Cu 0.60998 0.937697 0.5 358 63.546 0.0119958 -3.53722 63.546000 Cu 0.681471 0.940449 2.16384e-18 360 63.546 0.0212683 -3.5358 63.546000 Cu 0.672239 0.957499 0.5 363 63.546 0.0465837 -3.52375 63.546000 Cu 0.744218 0.96081 2.28405e-17 361 63.546 0.121585 -3.51829 63.546000 Cu 0.75237 0.943207 0.5 362 63.546 0.0280517 -3.53453 63.546000 Cu 0.821541 0.945674 3.65448e-17 364 63.546 0.0190222 -3.53487 63.546000 Cu 0.813905 0.964001 0.5 367 63.546 0.130309 -3.51318 63.546000 Cu 0.968587 0.932344 0.5 343 63.546 0.011955 -3.53889 63.546000 Cu 0.889431 0.947831 0.5 366 63.546 0.0273166 -3.53376 63.546000 Cu 0.95705 0.949927 2.28405e-17 368 63.546 0.0546435 -3.53152 63.546000 Cu 0.0149341 0.969406 2.5365e-17 369 63.546 0.168135 -3.51962 63.546000 Cu 0.0879667 0.971426 0.5 375 63.546 0.0606102 -3.52278 63.546000 Cu 0.00657297 0.987196 0.5 397 63.546 0.144368 -3.52714 63.546000 Cu 0.076318 0.987758 8.01822e-17 398 63.546 0.381161 -3.50216 63.546000 Cu 0.161117 0.973732 1 373 63.546 0.113893 -3.51313 63.546000 Cu 0.236306 0.978042 0.5 379 63.546 0.7818 -3.43265 63.546000 Cu 0.151303 0.989696 0.5 399 63.546 4.5381 -3.41623 63.546000 Cu 0.222066 0.993501 1.20213e-19 400 63.546 9.10524 -3.32417 63.546000 Cu 0.379795 0.966373 2.28405e-17 380 63.546 0.0398605 -3.51763 63.546000 Cu 0.306147 0.983078 4.59215e-17 377 63.546 0.950917 -3.41308 63.546000 Cu 0.369589 0.985917 0.5 383 63.546 0.280957 -3.47192 63.546000 Cu 0.437353 0.986626 4.21949e-17 381 63.546 0.120014 -3.52105 63.546000 Cu 0.445995 0.968178 0.5 382 63.546 0.101113 -3.5204 63.546000 Cu 0.514934 0.969406 2.28405e-17 384 63.546 0.168135 -3.51962 63.546000 Cu 0.506573 0.987196 0.5 387 63.546 0.144368 -3.52714 63.546000 Cu 0.576318 0.987758 2.28405e-17 385 63.546 0.381161 -3.50216 63.546000 Cu 0.587967 0.971426 0.5 386 63.546 0.0606102 -3.52278 63.546000 Cu 0.661117 0.973732 6.1429e-17 388 63.546 0.113893 -3.51313 63.546000 Cu 0.651303 0.989696 0.5 391 63.546 4.5381 -3.41623 63.546000 Cu 0.722066 0.993501 3.91895e-17 389 63.546 9.10524 -3.32417 63.546000 Cu 0.736306 0.978042 0.5 390 63.546 0.7818 -3.43265 63.546000 Cu 0.806147 0.983078 0 392 63.546 0.950917 -3.41308 63.546000 Cu 0.879795 0.966373 1.30912e-16 365 63.546 0.0398605 -3.51763 63.546000 Cu 0.945995 0.968178 0.5 371 63.546 0.101113 -3.5204 63.546000 Cu 0.869589 0.985917 0.5 394 63.546 0.280957 -3.47192 63.546000 Cu 0.937353 0.986626 2.28405e-17 396 63.546 0.120014 -3.52105