Number of particles = 848 A = 1 Angstrom (basic length-scale) H0(1,1) = 26.2207 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 105.599 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61213 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 0.0716811 0.01645 1 426 63.546 8.22405 -2.8079 63.546000 Cu 0.000870467 0.0164281 0.5 427 63.546 4.35682 -3.57476 63.546000 Cu 0.156467 0.00564616 9.89314e-17 428 63.546 9.12689 -3.04617 63.546000 Cu 0.0893272 0.00250804 0.5 429 63.546 2.86024 -3.4108 63.546000 Cu 0.014516 0.0339679 1 430 63.546 0.908722 -3.42152 63.546000 Cu 0.10239 0.0466736 0 431 63.546 0.203428 -3.49489 63.546000 Cu 0.0888443 0.0304388 0.5 432 63.546 2.80988 -3.40649 63.546000 Cu 0.0363537 0.0505764 0.5 433 63.546 0.108544 -3.52392 63.546000 Cu 0.155999 0.0273033 0 434 63.546 9.12813 -3.04344 63.546000 Cu 0.23912 0.0369592 1.22464e-16 435 63.546 0.630146 -3.34378 63.546000 Cu 0.211071 0.016483 0.5 436 63.546 8.75125 -3.88408 63.546000 Cu 0.174169 0.0420641 0.5 437 63.546 0.54685 -3.37937 63.546000 Cu 0.190053 0.0580076 2.62936e-16 455 63.546 0.0192426 -3.52125 63.546000 Cu 0.279105 0.0164656 1 438 63.546 10.4873 -3.03748 63.546000 Cu 0.368969 0.0272767 0 439 63.546 9.0116 -3.10319 63.546000 Cu 0.30442 0.00219322 0.5 440 63.546 2.42295 -3.47357 63.546000 Cu 0.303746 0.030815 0.5 441 63.546 2.29116 -3.46412 63.546000 Cu 0.369683 0.00560384 7.58794e-17 442 63.546 9.05279 -3.09861 63.546000 Cu 0.429607 0.0164617 0.5 445 63.546 8.61223 -3.93417 63.546000 Cu 0.258494 0.0531319 0.5 457 63.546 0.0572742 -3.47387 63.546000 Cu 0.323541 0.0482028 0 459 63.546 0.042581 -3.46083 63.546000 Cu 0.390248 0.0427248 0.5 461 63.546 0.367262 -3.42649 63.546000 Cu 0.452834 0.0372216 1.7325e-16 463 63.546 0.463202 -3.38406 63.546000 Cu 0.472268 0.0552675 0.5 466 63.546 0.057633 -3.45551 63.546000 Cu 0.50087 0.0164281 1.933e-16 443 63.546 4.35682 -3.57476 63.546000 Cu 0.589327 0.00250804 0 446 63.546 2.86024 -3.4108 63.546000 Cu 0.571681 0.01645 0.5 447 63.546 8.22405 -2.8079 63.546000 Cu 0.656467 0.00564616 0.5 448 63.546 9.12689 -3.04617 63.546000 Cu 0.536354 0.0505764 1.22464e-16 464 63.546 0.108544 -3.52392 63.546000 Cu 0.514516 0.0339679 0.5 465 63.546 0.908722 -3.42152 63.546000 Cu 0.588844 0.0304388 1.78533e-16 467 63.546 2.80988 -3.40649 63.546000 Cu 0.674169 0.0420641 1.80694e-16 468 63.546 0.54685 -3.37937 63.546000 Cu 0.655999 0.0273033 0.5 469 63.546 9.12813 -3.04344 63.546000 Cu 0.60239 0.0466736 0.5 470 63.546 0.203428 -3.49489 63.546000 Cu 0.711071 0.016483 1.06615e-16 471 63.546 8.75125 -3.88408 63.546000 Cu 0.73912 0.0369592 0.5 474 63.546 0.630146 -3.34378 63.546000 Cu 0.690053 0.0580076 0.5 500 63.546 0.0192426 -3.52125 63.546000 Cu 0.803746 0.030815 2.44087e-16 472 63.546 2.29116 -3.46412 63.546000 Cu 0.779105 0.0164656 0.5 473 63.546 10.4873 -3.03748 63.546000 Cu 0.80442 0.00219322 1.84776e-16 475 63.546 2.42295 -3.47357 63.546000 Cu 0.929607 0.0164617 0 476 63.546 8.61223 -3.93417 63.546000 Cu 0.869683 0.00560384 0.5 477 63.546 9.05279 -3.09861 63.546000 Cu 0.868969 0.0272767 0.5 478 63.546 9.0116 -3.10319 63.546000 Cu 0.758494 0.0531319 1.05175e-16 502 63.546 0.0572742 -3.47387 63.546000 Cu 0.823541 0.0482028 0.5 504 63.546 0.042581 -3.46083 63.546000 Cu 0.890248 0.0427248 0 506 63.546 0.367262 -3.42649 63.546000 Cu 0.972268 0.0552675 4.44231e-17 507 63.546 0.057633 -3.45551 63.546000 Cu 0.952834 0.0372216 0.5 508 63.546 0.463202 -3.38406 63.546000 Cu 0.010299 0.0885011 4.76647e-17 449 63.546 0.00557332 -3.51868 63.546000 Cu 0.0564189 0.0674019 1.22103e-16 451 63.546 0.0172565 -3.50819 63.546000 Cu 0.142168 0.0788994 1.21983e-16 452 63.546 0.002402 -3.53626 63.546000 Cu 0.12268 0.0625593 0.5 453 63.546 0.0339807 -3.54527 63.546000 Cu 0.0762464 0.0837274 0.5 454 63.546 0.0017468 -3.52474 63.546000 Cu 0.208772 0.0740931 0.5 458 63.546 0.00686068 -3.54256 63.546000 Cu 0.029219 0.104823 0.5 480 63.546 0.000723119 -3.52963 63.546000 Cu 0.0953529 0.100063 1.22824e-16 482 63.546 0.00038335 -3.53057 63.546000 Cu 0.180393 0.111638 0 483 63.546 0.00037342 -3.53499 63.546000 Cu 0.161464 0.0952474 0.5 484 63.546 0.00034899 -3.53484 63.546000 Cu 0.11426 0.116407 0.5 485 63.546 0.000288394 -3.53349 63.546000 Cu 0.22762 0.0904438 1.21743e-16 486 63.546 0.00165141 -3.53999 63.546000 Cu 0.246477 0.106853 0.5 489 63.546 0.00106926 -3.53888 63.546000 Cu 0.275785 0.0694 1.06495e-16 456 63.546 0.00418342 -3.52609 63.546000 Cu 0.408341 0.0595647 6.96361e-18 460 63.546 0.0431535 -3.51699 63.546000 Cu 0.343015 0.0644875 0.5 462 63.546 0.0226206 -3.5188 63.546000 Cu 0.3125 0.102139 2.25117e-16 487 63.546 0.00180662 -3.54182 63.546000 Cu 0.294186 0.0856612 0.5 488 63.546 0.00437012 -3.54437 63.546000 Cu 0.360594 0.0809783 1.22584e-16 490 63.546 0.00663456 -3.53934 63.546000 Cu 0.44445 0.0930761 6.79553e-17 491 63.546 0.0029731 -3.52497 63.546000 Cu 0.426241 0.07651 0.5 492 63.546 0.00656002 -3.516 63.546000 Cu 0.378485 0.097575 0.5 493 63.546 0.000743843 -3.5352 63.546000 Cu 0.491451 0.0719874 1.63765e-16 494 63.546 0.0126127 -3.50564 63.546000 Cu 0.396903 0.114081 2.44207e-16 522 63.546 0.000879116 -3.53215 63.546000 Cu 0.462972 0.109498 0.5 524 63.546 0.00148169 -3.52974 63.546000 Cu 0.576246 0.0837274 1.58362e-16 495 63.546 0.0017468 -3.52474 63.546000 Cu 0.556419 0.0674019 0.5 496 63.546 0.0172565 -3.50819 63.546000 Cu 0.510299 0.0885011 0.5 497 63.546 0.00557332 -3.51868 63.546000 Cu 0.62268 0.0625593 2.41565e-16 498 63.546 0.0339807 -3.54527 63.546000 Cu 0.708772 0.0740931 0 499 63.546 0.00686068 -3.54256 63.546000 Cu 0.642168 0.0788994 0.5 501 63.546 0.002402 -3.53626 63.546000 Cu 0.529219 0.104823 2.04826e-16 526 63.546 0.000723119 -3.52963 63.546000 Cu 0.61426 0.116407 0 527 63.546 0.000288394 -3.53349 63.546000 Cu 0.595353 0.100063 0.5 528 63.546 0.00038335 -3.53057 63.546000 Cu 0.661464 0.0952474 1.48757e-16 530 63.546 0.00034899 -3.53484 63.546000 Cu 0.746477 0.106853 1.64245e-16 531 63.546 0.00106926 -3.53888 63.546000 Cu 0.72762 0.0904438 0.5 532 63.546 0.00165141 -3.53999 63.546000 Cu 0.680393 0.111638 0.5 533 63.546 0.00037342 -3.53499 63.546000 Cu 0.991451 0.0719874 0.5 450 63.546 0.0126127 -3.50564 63.546000 Cu 0.843015 0.0644875 8.88461e-18 503 63.546 0.0226206 -3.5188 63.546000 Cu 0.775785 0.0694 0.5 505 63.546 0.00418342 -3.52609 63.546000 Cu 0.908341 0.0595647 0.5 509 63.546 0.0431535 -3.51699 63.546000 Cu 0.794186 0.0856612 1.22824e-16 534 63.546 0.00437012 -3.54437 63.546000 Cu 0.878485 0.097575 1.87057e-16 535 63.546 0.000743843 -3.5352 63.546000 Cu 0.860594 0.0809783 0.5 536 63.546 0.00663456 -3.53934 63.546000 Cu 0.8125 0.102139 0.5 537 63.546 0.00180662 -3.54182 63.546000 Cu 0.926241 0.07651 2.74102e-16 538 63.546 0.00656002 -3.516 63.546000 Cu 0.94445 0.0930761 0.5 539 63.546 0.0029731 -3.52497 63.546000 Cu 0.896903 0.114081 0.5 567 63.546 0.000879116 -3.53215 63.546000 Cu 0.962972 0.109498 4.80249e-19 569 63.546 0.00148169 -3.52974 63.546000 Cu 0.0480216 0.121147 1.08056e-18 479 63.546 6.41655e-05 -3.53353 63.546000 Cu 0.000630825 0.142216 2.06987e-16 510 63.546 5.60201e-05 -3.53412 63.546000 Cu 0.0855427 0.153899 3.99808e-17 511 63.546 8.59869e-05 -3.53628 63.546000 Cu 0.0667596 0.137498 0.5 512 63.546 0.000146229 -3.53478 63.546000 Cu 0.0194593 0.158609 0.5 513 63.546 4.39025e-05 -3.53527 63.546000 Cu 0.132963 0.13278 5.88305e-18 514 63.546 0.00016625 -3.53545 63.546000 Cu 0.217698 0.144498 1.23064e-16 515 63.546 5.29767e-05 -3.53672 63.546000 Cu 0.199112 0.12805 0.5 516 63.546 0.000332686 -3.53646 63.546000 Cu 0.151617 0.149194 0.5 517 63.546 7.67125e-05 -3.53704 63.546000 Cu 0.038265 0.175029 1 541 63.546 2.40787e-05 -3.5363 63.546000 Cu 0.104286 0.170335 0.5 543 63.546 2.23666e-05 -3.53633 63.546000 Cu 0.170336 0.165635 6.00312e-19 545 63.546 3.14887e-05 -3.53597 63.546000 Cu 0.23636 0.16094 0.5 547 63.546 7.62756e-05 -3.5349 63.546000 Cu 0.265119 0.123334 2.62096e-16 518 63.546 0.000332122 -3.53687 63.546000 Cu 0.349676 0.135165 2.18273e-16 519 63.546 0.00020602 -3.53296 63.546000 Cu 0.330986 0.118674 0.5 520 63.546 0.00028435 -3.53532 63.546000 Cu 0.283726 0.139816 0.5 521 63.546 8.84666e-05 -3.53486 63.546000 Cu 0.481757 0.125854 2.44807e-16 523 63.546 0.000335374 -3.53311 63.546000 Cu 0.415646 0.13052 0.5 525 63.546 0.000456295 -3.53239 63.546000 Cu 0.302418 0.156263 1.20062e-18 549 63.546 5.98269e-05 -3.53349 63.546000 Cu 0.387292 0.168005 1 550 63.546 1.00898e-05 -3.53342 63.546000 Cu 0.368449 0.151599 0.5 551 63.546 0.000106025 -3.53255 63.546000 Cu 0.321214 0.172683 0.5 552 63.546 2.6075e-05 -3.53329 63.546000 Cu 0.434525 0.146923 2.36283e-16 553 63.546 9.04091e-05 -3.53336 63.546000 Cu 0.453372 0.163315 0.5 556 63.546 1.74482e-05 -3.53427 63.546000 Cu 0.548022 0.121147 0.5 529 63.546 6.41655e-05 -3.53353 63.546000 Cu 0.519459 0.158609 2.79505e-16 554 63.546 4.39025e-05 -3.53527 63.546000 Cu 0.500631 0.142216 0.5 555 63.546 5.60201e-05 -3.53412 63.546000 Cu 0.56676 0.137498 7.68399e-17 557 63.546 0.000146229 -3.53478 63.546000 Cu 0.651617 0.149194 0 558 63.546 7.67125e-05 -3.53704 63.546000 Cu 0.632963 0.13278 0.5 559 63.546 0.00016625 -3.53545 63.546000 Cu 0.585543 0.153899 0.5 560 63.546 8.59869e-05 -3.53628 63.546000 Cu 0.699112 0.12805 2.44807e-16 561 63.546 0.000332686 -3.53646 63.546000 Cu 0.717698 0.144498 0.5 564 63.546 5.29767e-05 -3.53672 63.546000 Cu 0.538265 0.175029 0.5 586 63.546 2.40787e-05 -3.5363 63.546000 Cu 0.604286 0.170335 1.02653e-16 588 63.546 2.23666e-05 -3.53633 63.546000 Cu 0.670336 0.165635 0.5 590 63.546 3.14887e-05 -3.53597 63.546000 Cu 0.73636 0.16094 1.55481e-16 592 63.546 7.62756e-05 -3.5349 63.546000 Cu 0.981757 0.125854 0.5 481 63.546 0.000335374 -3.53311 63.546000 Cu 0.783726 0.139816 4.33425e-17 562 63.546 8.84666e-05 -3.53486 63.546000 Cu 0.765119 0.123334 0.5 563 63.546 0.000332122 -3.53687 63.546000 Cu 0.830986 0.118674 1.19942e-16 565 63.546 0.00028435 -3.53532 63.546000 Cu 0.915646 0.13052 3.55384e-17 566 63.546 0.000456295 -3.53239 63.546000 Cu 0.849676 0.135165 0.5 568 63.546 0.00020602 -3.53296 63.546000 Cu 0.821214 0.172683 1.72169e-16 593 63.546 2.6075e-05 -3.53329 63.546000 Cu 0.802418 0.156263 0.5 594 63.546 5.98269e-05 -3.53349 63.546000 Cu 0.868449 0.151599 2.07468e-16 596 63.546 0.000106025 -3.53255 63.546000 Cu 0.953372 0.163315 1 597 63.546 1.74482e-05 -3.53427 63.546000 Cu 0.934525 0.146923 0.5 598 63.546 9.04091e-05 -3.53336 63.546000 Cu 0.887292 0.168005 0.5 599 63.546 1.00898e-05 -3.53342 63.546000 Cu 0.123115 0.186771 1 542 63.546 4.14366e-05 -3.53535 63.546000 Cu 0.0570704 0.191469 0.5 544 63.546 3.88554e-05 -3.53596 63.546000 Cu 0.189141 0.182064 0.5 548 63.546 3.2312e-05 -3.53466 63.546000 Cu 0.0288988 0.229003 1.23064e-16 570 63.546 5.35111e-06 -3.534 63.546000 Cu 0.00994301 0.212586 0.5 571 63.546 1.93935e-05 -3.5352 63.546000 Cu 0.0759748 0.207892 1 572 63.546 2.46496e-05 -3.53455 63.546000 Cu 0.160968 0.219606 1 573 63.546 1.93917e-05 -3.53473 63.546000 Cu 0.142032 0.203189 0.5 574 63.546 4.7942e-06 -3.5343 63.546000 Cu 0.0949447 0.224303 0.5 575 63.546 1.76385e-05 -3.53446 63.546000 Cu 0.208053 0.198484 1 576 63.546 1.03009e-05 -3.53467 63.546000 Cu 0.226981 0.214912 0.5 579 63.546 1.40198e-05 -3.53552 63.546000 Cu 0.245893 0.231349 1 608 63.546 1.28406e-05 -3.53594 63.546000 Cu 0.255181 0.177363 1 546 63.546 3.17622e-05 -3.5338 63.546000 Cu 0.292996 0.210219 1 577 63.546 1.31987e-05 -3.53599 63.546000 Cu 0.274077 0.193786 0.5 578 63.546 1.83269e-05 -3.53452 63.546000 Cu 0.340085 0.189099 1.44075e-18 580 63.546 2.89647e-05 -3.53431 63.546000 Cu 0.425001 0.200843 1.44795e-16 581 63.546 1.6795e-05 -3.5363 63.546000 Cu 0.406138 0.184416 0.5 582 63.546 1.56072e-05 -3.53474 63.546000 Cu 0.35899 0.205532 0.5 583 63.546 6.88066e-06 -3.53607 63.546000 Cu 0.472189 0.179728 1.22824e-16 584 63.546 1.82681e-05 -3.53559 63.546000 Cu 0.491036 0.196156 0.5 587 63.546 1.43988e-05 -3.53612 63.546000 Cu 0.311891 0.226665 0.5 610 63.546 1.34967e-05 -3.53607 63.546000 Cu 0.377904 0.221974 6.31528e-17 612 63.546 1.71961e-05 -3.5361 63.546000 Cu 0.462854 0.2337 8.87261e-17 613 63.546 9.20534e-06 -3.53387 63.546000 Cu 0.443913 0.217283 0.5 614 63.546 2.7352e-05 -3.53597 63.546000 Cu 0.55707 0.191469 2.61496e-16 585 63.546 3.88554e-05 -3.53596 63.546000 Cu 0.689141 0.182064 8.40436e-19 589 63.546 3.2312e-05 -3.53466 63.546000 Cu 0.623115 0.186771 0.5 591 63.546 4.14366e-05 -3.53535 63.546000 Cu 0.509943 0.212586 2.73382e-16 616 63.546 1.93935e-05 -3.5352 63.546000 Cu 0.594945 0.224303 3.34013e-16 617 63.546 1.76385e-05 -3.53446 63.546000 Cu 0.575975 0.207892 0.5 618 63.546 2.46496e-05 -3.53455 63.546000 Cu 0.528899 0.229003 0.5 619 63.546 5.35111e-06 -3.534 63.546000 Cu 0.642032 0.203189 2.4985e-16 620 63.546 4.7942e-06 -3.5343 63.546000 Cu 0.726981 0.214912 2.5033e-16 621 63.546 1.40198e-05 -3.53552 63.546000 Cu 0.708053 0.198484 0.5 622 63.546 1.03009e-05 -3.53467 63.546000 Cu 0.660968 0.219606 0.5 623 63.546 1.93917e-05 -3.53473 63.546000 Cu 0.745893 0.231349 0.5 653 63.546 1.28406e-05 -3.53594 63.546000 Cu 0.991036 0.196156 8.92063e-17 540 63.546 1.43988e-05 -3.53612 63.546000 Cu 0.755181 0.177363 0.5 595 63.546 3.17622e-05 -3.5338 63.546000 Cu 0.774077 0.193786 1.41193e-16 624 63.546 1.83269e-05 -3.53452 63.546000 Cu 0.85899 0.205532 1.3447e-16 625 63.546 6.88066e-06 -3.53607 63.546000 Cu 0.840085 0.189099 0.5 626 63.546 2.89647e-05 -3.53431 63.546000 Cu 0.792996 0.210219 0.5 627 63.546 1.31987e-05 -3.53599 63.546000 Cu 0.906138 0.184416 1.24625e-16 628 63.546 1.56072e-05 -3.53474 63.546000 Cu 0.972189 0.179728 0.5 629 63.546 1.82681e-05 -3.53559 63.546000 Cu 0.925001 0.200843 0.5 630 63.546 1.6795e-05 -3.5363 63.546000 Cu 0.811891 0.226665 1.61484e-16 655 63.546 1.34967e-05 -3.53607 63.546000 Cu 0.877904 0.221974 0.5 657 63.546 1.71961e-05 -3.5361 63.546000 Cu 0.943913 0.217283 1.161e-16 659 63.546 2.7352e-05 -3.53597 63.546000 Cu 0.962854 0.2337 0.5 660 63.546 9.20534e-06 -3.53387 63.546000 Cu 0.0666393 0.261848 2.45888e-16 601 63.546 9.97874e-06 -3.53581 63.546000 Cu 0.0478168 0.245415 0.5 602 63.546 4.59892e-05 -3.53485 63.546000 Cu 0.000600029 0.266531 0.5 603 63.546 2.12275e-05 -3.53557 63.546000 Cu 0.113857 0.240727 2.47569e-16 604 63.546 3.53873e-05 -3.53555 63.546000 Cu 0.198706 0.252476 3.19366e-17 605 63.546 1.55531e-05 -3.53538 63.546000 Cu 0.179882 0.236037 0.5 606 63.546 2.69411e-05 -3.53578 63.546000 Cu 0.132685 0.257162 0.5 607 63.546 1.60286e-05 -3.53579 63.546000 Cu 0.0193707 0.282964 3.15764e-17 631 63.546 4.97763e-06 -3.53561 63.546000 Cu 0.085412 0.278284 0.5 633 63.546 1.23126e-05 -3.53556 63.546000 Cu 0.151439 0.273599 1.97623e-16 635 63.546 3.87306e-05 -3.53529 63.546000 Cu 0.236323 0.285314 0 636 63.546 1.28635e-05 -3.5345 63.546000 Cu 0.21749 0.268903 0.5 637 63.546 3.11875e-05 -3.5348 63.546000 Cu 0.170248 0.290015 0.5 638 63.546 3.70546e-05 -3.53476 63.546000 Cu 0.330771 0.243095 3.30171e-17 609 63.546 3.65062e-05 -3.53427 63.546000 Cu 0.264739 0.247787 0.5 611 63.546 2.87084e-05 -3.53497 63.546000 Cu 0.396806 0.238401 0.5 615 63.546 3.08334e-05 -3.53398 63.546000 Cu 0.283544 0.264206 2.55613e-16 639 63.546 2.45158e-05 -3.5346 63.546000 Cu 0.368482 0.275914 0 640 63.546 1.63497e-05 -3.53488 63.546000 Cu 0.349629 0.259504 0.5 641 63.546 2.56218e-06 -3.53422 63.546000 Cu 0.30241 0.280611 0.5 642 63.546 4.85087e-06 -3.53462 63.546000 Cu 0.415699 0.254804 7.81606e-17 643 63.546 1.24351e-05 -3.53409 63.546000 Cu 0.481773 0.250107 0.5 645 63.546 4.95292e-05 -3.53428 63.546000 Cu 0.434549 0.271218 0.5 646 63.546 3.181e-05 -3.53545 63.546000 Cu 0.387291 0.292329 0.5 673 63.546 2.78054e-05 -3.53442 63.546000 Cu 0.453328 0.287646 1.23064e-16 675 63.546 1.17649e-05 -3.53521 63.546000 Cu 0.5006 0.266531 2.42166e-16 644 63.546 2.12275e-05 -3.53557 63.546000 Cu 0.547817 0.245415 1.22103e-16 647 63.546 4.59892e-05 -3.53485 63.546000 Cu 0.632685 0.257162 1 648 63.546 1.60286e-05 -3.53579 63.546000 Cu 0.613857 0.240727 0.5 649 63.546 3.53873e-05 -3.53555 63.546000 Cu 0.566639 0.261848 0.5 650 63.546 9.97874e-06 -3.53581 63.546000 Cu 0.679882 0.236037 2.87909e-16 651 63.546 2.69411e-05 -3.53578 63.546000 Cu 0.698706 0.252476 0.5 654 63.546 1.55531e-05 -3.53538 63.546000 Cu 0.519371 0.282964 0.5 677 63.546 4.97763e-06 -3.53561 63.546000 Cu 0.585412 0.278284 7.20374e-19 679 63.546 1.23126e-05 -3.53556 63.546000 Cu 0.670248 0.290015 1.03254e-16 680 63.546 3.70546e-05 -3.53476 63.546000 Cu 0.651439 0.273599 0.5 681 63.546 3.87306e-05 -3.53529 63.546000 Cu 0.71749 0.268903 8.60847e-17 683 63.546 3.11875e-05 -3.5348 63.546000 Cu 0.736323 0.285314 0.5 686 63.546 1.28635e-05 -3.5345 63.546000 Cu 0.981773 0.250107 2.61736e-16 600 63.546 4.95292e-05 -3.53428 63.546000 Cu 0.764739 0.247787 3.84199e-17 652 63.546 2.87084e-05 -3.53497 63.546000 Cu 0.896806 0.238401 1.20062e-18 656 63.546 3.08334e-05 -3.53398 63.546000 Cu 0.830771 0.243095 0.5 658 63.546 3.65062e-05 -3.53427 63.546000 Cu 0.80241 0.280611 1 684 63.546 4.85087e-06 -3.53462 63.546000 Cu 0.783544 0.264206 0.5 685 63.546 2.45158e-05 -3.5346 63.546000 Cu 0.849629 0.259504 9.60499e-19 687 63.546 2.56218e-06 -3.53422 63.546000 Cu 0.934549 0.271218 1.08056e-18 688 63.546 3.181e-05 -3.53545 63.546000 Cu 0.915699 0.254804 0.5 689 63.546 1.24351e-05 -3.53409 63.546000 Cu 0.868482 0.275914 0.5 690 63.546 1.63497e-05 -3.53488 63.546000 Cu 0.887291 0.292329 1 718 63.546 2.78054e-05 -3.53442 63.546000 Cu 0.953328 0.287646 0.5 720 63.546 1.17649e-05 -3.53521 63.546000 Cu 0.104158 0.294711 1.55601e-16 632 63.546 4.94373e-05 -3.53516 63.546000 Cu 0.038098 0.299398 0.5 634 63.546 2.69276e-05 -3.5351 63.546000 Cu 0.00950974 0.336912 1.76131e-16 661 63.546 4.82978e-05 -3.53472 63.546000 Cu 0.0568441 0.315814 1.28587e-16 663 63.546 4.54362e-05 -3.53429 63.546000 Cu 0.141736 0.327505 0 664 63.546 1.40518e-05 -3.53518 63.546000 Cu 0.122927 0.311116 0.5 665 63.546 2.76486e-05 -3.5348 63.546000 Cu 0.0756072 0.332212 0.5 666 63.546 3.03891e-05 -3.53449 63.546000 Cu 0.189058 0.30641 2.45648e-16 667 63.546 4.79653e-06 -3.53464 63.546000 Cu 0.207838 0.322802 0.5 670 63.546 3.70352e-05 -3.53454 63.546000 Cu 0.0943184 0.348598 1.22584e-16 694 63.546 2.37509e-05 -3.53411 63.546000 Cu 0.160486 0.343892 0.5 696 63.546 7.0363e-05 -3.53469 63.546000 Cu 0.226603 0.339203 6.06315e-17 698 63.546 0.000148045 -3.53402 63.546000 Cu 0.273941 0.318112 6.12318e-17 668 63.546 5.71172e-05 -3.53439 63.546000 Cu 0.255174 0.301709 0.5 669 63.546 3.87219e-05 -3.53432 63.546000 Cu 0.321258 0.297017 1.48157e-16 671 63.546 5.89051e-05 -3.5342 63.546000 Cu 0.406042 0.308755 4.80249e-19 672 63.546 1.27708e-05 -3.53499 63.546000 Cu 0.34 0.313433 0.5 674 63.546 2.84592e-05 -3.53457 63.546000 Cu 0.472062 0.304076 0.5 678 63.546 1.72782e-06 -3.5352 63.546000 Cu 0.311249 0.35097 0 699 63.546 6.82475e-06 -3.53575 63.546000 Cu 0.292631 0.334532 0.5 700 63.546 4.42673e-05 -3.53455 63.546000 Cu 0.358684 0.329861 1 702 63.546 1.60018e-05 -3.53539 63.546000 Cu 0.443381 0.341609 6.00312e-19 703 63.546 5.04278e-05 -3.53596 63.546000 Cu 0.42473 0.325187 0.5 704 63.546 2.62053e-05 -3.53573 63.546000 Cu 0.377291 0.346298 0.5 705 63.546 4.0078e-05 -3.53596 63.546000 Cu 0.490796 0.320505 1.08056e-18 706 63.546 4.68743e-05 -3.53501 63.546000 Cu 0.538098 0.299398 1.49838e-16 676 63.546 2.69276e-05 -3.5351 63.546000 Cu 0.604158 0.294711 0.5 682 63.546 4.94373e-05 -3.53516 63.546000 Cu 0.575607 0.332212 1.20062e-18 707 63.546 3.03891e-05 -3.53449 63.546000 Cu 0.556844 0.315814 0.5 708 63.546 4.54362e-05 -3.53429 63.546000 Cu 0.50951 0.336912 0.5 709 63.546 4.82978e-05 -3.53472 63.546000 Cu 0.622927 0.311116 2.45888e-16 710 63.546 2.76486e-05 -3.5348 63.546000 Cu 0.707838 0.322802 2.45407e-16 711 63.546 3.70352e-05 -3.53454 63.546000 Cu 0.689058 0.30641 0.5 712 63.546 4.79653e-06 -3.53464 63.546000 Cu 0.641736 0.327505 0.5 713 63.546 1.40518e-05 -3.53518 63.546000 Cu 0.594318 0.348598 0.5 740 63.546 2.37509e-05 -3.53411 63.546000 Cu 0.660486 0.343892 1 742 63.546 7.0363e-05 -3.53469 63.546000 Cu 0.726603 0.339203 0.5 744 63.546 0.000148045 -3.53402 63.546000 Cu 0.990796 0.320505 0.5 662 63.546 4.68743e-05 -3.53501 63.546000 Cu 0.755174 0.301709 1.71089e-16 714 63.546 3.87219e-05 -3.53432 63.546000 Cu 0.84 0.313433 6.00312e-19 715 63.546 2.84592e-05 -3.53457 63.546000 Cu 0.821258 0.297017 0.5 716 63.546 5.89051e-05 -3.5342 63.546000 Cu 0.773941 0.318112 0.5 717 63.546 5.71172e-05 -3.53439 63.546000 Cu 0.972062 0.304076 7.78004e-17 719 63.546 1.72782e-06 -3.5352 63.546000 Cu 0.906042 0.308755 0.5 721 63.546 1.27708e-05 -3.53499 63.546000 Cu 0.792631 0.334532 1.22584e-16 746 63.546 4.42673e-05 -3.53455 63.546000 Cu 0.877291 0.346298 0 747 63.546 4.0078e-05 -3.53596 63.546000 Cu 0.858684 0.329861 0.5 748 63.546 1.60018e-05 -3.53539 63.546000 Cu 0.811249 0.35097 0.5 749 63.546 6.82475e-06 -3.53575 63.546000 Cu 0.92473 0.325187 2.76143e-18 750 63.546 2.62053e-05 -3.53573 63.546000 Cu 0.943381 0.341609 0.5 751 63.546 5.04278e-05 -3.53596 63.546000 Cu 0.0469134 0.369671 1.66286e-16 691 63.546 1.95595e-05 -3.53389 63.546000 Cu 0.0281665 0.353302 0.5 692 63.546 4.62993e-05 -3.53461 63.546000 Cu 0.179199 0.360287 1.65686e-17 695 63.546 0.000231916 -3.53368 63.546000 Cu 0.113071 0.364961 0.5 697 63.546 0.000168248 -3.53346 63.546000 Cu 0.245228 0.355631 0.5 701 63.546 4.66746e-05 -3.53442 63.546000 Cu 0.0844087 0.40242 2.45167e-16 723 63.546 0.000702009 -3.53207 63.546000 Cu 0.0656972 0.386031 0.5 724 63.546 0.000318098 -3.53318 63.546000 Cu 0.0182504 0.40708 0.5 725 63.546 0.000537255 -3.53334 63.546000 Cu 0.131772 0.381354 1 726 63.546 0.000392259 -3.53277 63.546000 Cu 0.216266 0.393171 5.84703e-17 727 63.546 0.000106597 -3.53422 63.546000 Cu 0.197796 0.376712 0.5 728 63.546 0.000132687 -3.5331 63.546000 Cu 0.150367 0.397792 0.5 729 63.546 0.00030968 -3.53206 63.546000 Cu 0.234735 0.409672 0.5 759 63.546 0.000739754 -3.53667 63.546000 Cu 0.2638 0.372076 1.22344e-16 730 63.546 4.63304e-05 -3.53504 63.546000 Cu 0.348395 0.383838 1.19822e-16 731 63.546 0.000247299 -3.53637 63.546000 Cu 0.329864 0.367414 0.5 732 63.546 0.00011403 -3.53634 63.546000 Cu 0.282281 0.388525 0.5 733 63.546 0.00023403 -3.53633 63.546000 Cu 0.395922 0.362726 0 734 63.546 0.000134233 -3.53566 63.546000 Cu 0.480747 0.374397 0 735 63.546 5.37056e-05 -3.53516 63.546000 Cu 0.46201 0.358017 0.5 736 63.546 0.000112942 -3.53574 63.546000 Cu 0.414575 0.379124 0.5 737 63.546 0.000172406 -3.53569 63.546000 Cu 0.300733 0.40496 0 761 63.546 0.000703134 -3.53709 63.546000 Cu 0.36696 0.400227 0.5 763 63.546 0.000326863 -3.53605 63.546000 Cu 0.433222 0.395488 1 765 63.546 0.000143168 -3.53519 63.546000 Cu 0.49951 0.390747 0.5 767 63.546 8.29336e-05 -3.53434 63.546000 Cu 0.528167 0.353302 1.7409e-17 738 63.546 4.62993e-05 -3.53461 63.546000 Cu 0.613071 0.364961 0 739 63.546 0.000168248 -3.53346 63.546000 Cu 0.546913 0.369671 0.5 741 63.546 1.95595e-05 -3.53389 63.546000 Cu 0.745228 0.355631 6.14719e-17 743 63.546 4.66746e-05 -3.53442 63.546000 Cu 0.679199 0.360287 0.5 745 63.546 0.000231916 -3.53368 63.546000 Cu 0.51825 0.40708 1 766 63.546 0.000537255 -3.53334 63.546000 Cu 0.565697 0.386031 1 769 63.546 0.000318098 -3.53318 63.546000 Cu 0.650367 0.397792 1.20062e-19 770 63.546 0.00030968 -3.53206 63.546000 Cu 0.631772 0.381354 0.5 771 63.546 0.000392259 -3.53277 63.546000 Cu 0.584409 0.40242 0.5 772 63.546 0.000702009 -3.53207 63.546000 Cu 0.697796 0.376712 1.20062e-19 773 63.546 0.000132687 -3.5331 63.546000 Cu 0.716266 0.393171 0.5 776 63.546 0.000106597 -3.53422 63.546000 Cu 0.734735 0.409672 5.65494e-17 804 63.546 0.000739754 -3.53667 63.546000 Cu 0.99951 0.390747 2.02905e-17 722 63.546 8.29336e-05 -3.53434 63.546000 Cu 0.980747 0.374397 0.5 693 63.546 5.37056e-05 -3.53516 63.546000 Cu 0.782281 0.388525 1.27266e-16 774 63.546 0.00023403 -3.53633 63.546000 Cu 0.7638 0.372076 0.5 775 63.546 4.63304e-05 -3.53504 63.546000 Cu 0.829864 0.367414 3.60187e-19 777 63.546 0.00011403 -3.53634 63.546000 Cu 0.914575 0.379124 1 778 63.546 0.000172406 -3.53569 63.546000 Cu 0.895922 0.362726 0.5 779 63.546 0.000134233 -3.53566 63.546000 Cu 0.848395 0.383838 0.5 780 63.546 0.000247299 -3.53637 63.546000 Cu 0.96201 0.358017 0 781 63.546 0.000112942 -3.53574 63.546000 Cu 0.800733 0.40496 0.5 806 63.546 0.000703134 -3.53709 63.546000 Cu 0.86696 0.400227 1.01573e-16 808 63.546 0.000326863 -3.53605 63.546000 Cu 0.933222 0.395488 0.5 810 63.546 0.000143168 -3.53519 63.546000 Cu 0.037 0.423433 1 753 63.546 0.00191103 -3.52989 63.546000 Cu 0.121335 0.435373 1.12859e-17 754 63.546 0.000682469 -3.53466 63.546000 Cu 0.103031 0.418851 0.5 755 63.546 0.00122731 -3.53223 63.546000 Cu 0.0553939 0.439845 0.5 756 63.546 0.00325802 -3.52521 63.546000 Cu 0.168905 0.414287 1.22824e-16 757 63.546 0.000252743 -3.53493 63.546000 Cu 0.187257 0.430844 0.5 760 63.546 0.00234562 -3.54108 63.546000 Cu 0.00826324 0.460906 0.5 783 63.546 0.0134099 -3.50613 63.546000 Cu 0.0734961 0.456413 5.63092e-17 784 63.546 0.00639891 -3.51569 63.546000 Cu 0.15662 0.468466 1.01573e-16 785 63.546 0.0235645 -3.51829 63.546000 Cu 0.139121 0.451975 0.5 786 63.546 0.00687837 -3.5383 63.546000 Cu 0.205494 0.447322 0 788 63.546 0.00528853 -3.54284 63.546000 Cu 0.223878 0.463572 0.5 791 63.546 0.00436559 -3.52621 63.546000 Cu 0.253244 0.426146 4.41829e-17 758 63.546 0.00168724 -3.53801 63.546000 Cu 0.385599 0.416568 1.22223e-16 762 63.546 0.00031977 -3.53478 63.546000 Cu 0.319363 0.421358 0.5 764 63.546 0.0006336 -3.53537 63.546000 Cu 0.451962 0.4118 0.5 768 63.546 0.000114905 -3.53403 63.546000 Cu 0.290865 0.458869 4.02209e-17 789 63.546 0.00705481 -3.54218 63.546000 Cu 0.272031 0.442536 0.5 790 63.546 0.00175589 -3.53879 63.546000 Cu 0.33822 0.437721 1 792 63.546 0.000622146 -3.53438 63.546000 Cu 0.423512 0.449168 2.8815e-18 793 63.546 0.00232112 -3.52418 63.546000 Cu 0.404408 0.432873 0.5 794 63.546 0.000599123 -3.53104 63.546000 Cu 0.357518 0.454025 0.5 795 63.546 0.00206874 -3.53545 63.546000 Cu 0.470687 0.428089 1 796 63.546 0.00125965 -3.53026 63.546000 Cu 0.489487 0.444402 0.5 799 63.546 0.00644027 -3.51942 63.546000 Cu 0.443251 0.46548 0.5 822 63.546 0.0181185 -3.50845 63.546000 Cu 0.377042 0.470336 0 820 63.546 0.032432 -3.54513 63.546000 Cu 0.555394 0.439845 0 797 63.546 0.00325802 -3.52521 63.546000 Cu 0.537 0.423433 0.5 798 63.546 0.00191103 -3.52989 63.546000 Cu 0.603031 0.418851 2.40125e-19 800 63.546 0.00122731 -3.53223 63.546000 Cu 0.687257 0.430844 0 801 63.546 0.00234562 -3.54108 63.546000 Cu 0.668905 0.414287 0.5 802 63.546 0.000252743 -3.53493 63.546000 Cu 0.621335 0.435373 0.5 803 63.546 0.000682469 -3.53466 63.546000 Cu 0.508263 0.460906 0 824 63.546 0.0134099 -3.50613 63.546000 Cu 0.573496 0.456413 0.5 826 63.546 0.00639891 -3.51569 63.546000 Cu 0.639121 0.451975 1.89698e-17 828 63.546 0.00687837 -3.5383 63.546000 Cu 0.723878 0.463572 7.25176e-17 829 63.546 0.00436559 -3.52621 63.546000 Cu 0.705494 0.447322 0.5 830 63.546 0.00528853 -3.54284 63.546000 Cu 0.65662 0.468466 0.5 831 63.546 0.0235645 -3.51829 63.546000 Cu 0.943251 0.46548 1 24 63.546 0.0181185 -3.50845 63.546000 Cu 0.989487 0.444402 0 752 63.546 0.00644027 -3.51942 63.546000 Cu 0.819363 0.421358 8.8606e-17 805 63.546 0.0006336 -3.53537 63.546000 Cu 0.753244 0.426146 0.5 807 63.546 0.00168724 -3.53801 63.546000 Cu 0.951962 0.4118 8.54844e-17 809 63.546 0.000114905 -3.53403 63.546000 Cu 0.885599 0.416568 0.5 811 63.546 0.00031977 -3.53478 63.546000 Cu 0.772031 0.442536 0 832 63.546 0.00175589 -3.53879 63.546000 Cu 0.857518 0.454025 1 833 63.546 0.00206874 -3.53545 63.546000 Cu 0.83822 0.437721 0.5 834 63.546 0.000622146 -3.53438 63.546000 Cu 0.790865 0.458869 0.5 835 63.546 0.00705481 -3.54218 63.546000 Cu 0.904408 0.432873 1.22344e-16 836 63.546 0.000599123 -3.53104 63.546000 Cu 0.970687 0.428089 0.5 837 63.546 0.00125965 -3.53026 63.546000 Cu 0.923512 0.449168 0.5 838 63.546 0.00232112 -3.52418 63.546000 Cu 0.877042 0.470336 0.5 847 63.546 0.032432 -3.54513 63.546000 Cu 0.0701195 0.516453 9.08872e-17 25 63.546 8.60551 -3.93413 63.546000 Cu 0.130582 0.505629 0.5 26 63.546 9.02344 -3.09978 63.546000 Cu 0.195799 0.502146 1.22464e-16 27 63.546 2.3297 -3.46689 63.546000 Cu 0.220629 0.516478 0.5 29 63.546 10.4903 -3.03767 63.546000 Cu 0.130187 0.527299 0.5 30 63.546 9.03905 -3.09869 63.546000 Cu 0.0273498 0.477613 6.79553e-17 782 63.546 0.0602926 -3.45621 63.546000 Cu 0.0913274 0.473359 0.5 787 63.546 0.0427766 -3.51631 63.546000 Cu 0.046771 0.495657 0.5 813 63.546 0.457929 -3.38318 63.546000 Cu 0.10936 0.490191 1.45275e-16 814 63.546 0.372296 -3.4249 63.546000 Cu 0.176069 0.484751 0.5 815 63.546 0.042539 -3.45965 63.546000 Cu 0.241138 0.479838 2.35322e-16 816 63.546 0.0580132 -3.47559 63.546000 Cu 0.410897 0.502472 0 5 63.546 2.81154 -3.40642 63.546000 Cu 0.343741 0.505623 0.5 6 63.546 9.11057 -3.04665 63.546000 Cu 0.498906 0.516473 1 7 63.546 4.36155 -3.57492 63.546000 Cu 0.428125 0.516464 0.5 9 63.546 8.22707 -2.80855 63.546000 Cu 0.288703 0.516443 1.22824e-16 31 63.546 8.75059 -3.88503 63.546000 Cu 0.34344 0.527311 0.5 33 63.546 9.14272 -3.04646 63.546000 Cu 0.325618 0.490857 4.38227e-17 817 63.546 0.538382 -3.37935 63.546000 Cu 0.309668 0.474925 0.5 818 63.546 0.0193809 -3.52154 63.546000 Cu 0.260589 0.495982 0.5 819 63.546 0.633343 -3.34672 63.546000 Cu 0.463287 0.482311 0 821 63.546 0.105255 -3.5243 63.546000 Cu 0.397296 0.486234 0.5 823 63.546 0.200795 -3.49555 63.546000 Cu 0.485126 0.498926 0.5 839 63.546 0.903294 -3.42142 63.546000 Cu 0.630582 0.505629 7.34781e-17 10 63.546 9.02344 -3.09978 63.546000 Cu 0.630187 0.527299 4.32224e-18 11 63.546 9.03905 -3.09869 63.546000 Cu 0.695799 0.502146 0.5 12 63.546 2.3297 -3.46689 63.546000 Cu 0.57012 0.516453 0.5 13 63.546 8.60551 -3.93413 63.546000 Cu 0.720629 0.516478 1.7253e-16 14 63.546 10.4903 -3.03767 63.546000 Cu 0.591327 0.473359 1.84896e-17 825 63.546 0.0427766 -3.51631 63.546000 Cu 0.52735 0.477613 0.5 827 63.546 0.0602926 -3.45621 63.546000 Cu 0.546771 0.495657 1.70609e-16 840 63.546 0.457929 -3.38318 63.546000 Cu 0.60936 0.490191 0.5 841 63.546 0.372296 -3.4249 63.546000 Cu 0.676069 0.484751 3.15764e-17 842 63.546 0.042539 -3.45965 63.546000 Cu 0.741138 0.479838 0.5 844 63.546 0.0580132 -3.47559 63.546000 Cu 0.843741 0.505623 1.33869e-16 1 63.546 9.11057 -3.04665 63.546000 Cu 0.928125 0.516464 3.60187e-19 2 63.546 8.22707 -2.80855 63.546000 Cu 0.910897 0.502472 0.5 3 63.546 2.81154 -3.40642 63.546000 Cu 0.998906 0.516473 0.5 4 63.546 4.36155 -3.57492 63.546000 Cu 0.963287 0.482311 0.5 8 63.546 0.105255 -3.5243 63.546000 Cu 0.788703 0.516443 0.5 16 63.546 8.75059 -3.88503 63.546000 Cu 0.84344 0.527311 2.18513e-17 18 63.546 9.14272 -3.04646 63.546000 Cu 0.985126 0.498926 2.40125e-18 812 63.546 0.903294 -3.42142 63.546000 Cu 0.760589 0.495982 1.01573e-16 843 63.546 0.633343 -3.34672 63.546000 Cu 0.809668 0.474925 7.20374e-19 845 63.546 0.0193809 -3.52154 63.546000 Cu 0.897296 0.486234 4.44231e-17 846 63.546 0.200795 -3.49555 63.546000 Cu 0.825618 0.490857 0.5 848 63.546 0.538382 -3.37935 63.546000 Cu 0.195442 0.530757 1.79253e-16 28 63.546 2.39201 -3.47016 63.546000 Cu 0.00771379 0.572044 0.5 53 63.546 0.0125969 -3.50655 63.546000 Cu 0.0269349 0.555332 2.46128e-17 55 63.546 0.0590779 -3.45532 63.546000 Cu 0.0464561 0.537307 0.5 56 63.546 0.458812 -3.37802 63.546000 Cu 0.109001 0.542752 7.49189e-17 57 63.546 0.376483 -3.42456 63.546000 Cu 0.156184 0.564489 1.20062e-19 58 63.546 0.0221886 -3.51873 63.546000 Cu 0.17567 0.548178 0.5 59 63.546 0.0418171 -3.46072 63.546000 Cu 0.0908862 0.559605 0.5 60 63.546 0.040799 -3.51655 63.546000 Cu 0.240726 0.553102 1.22223e-16 61 63.546 0.0588131 -3.47528 63.546000 Cu 0.223383 0.569374 0.5 64 63.546 0.00443231 -3.52635 63.546000 Cu 0.0729451 0.576555 3.60187e-19 85 63.546 0.00632791 -3.51571 63.546000 Cu 0.138579 0.580996 0.5 87 63.546 0.00627078 -3.53807 63.546000 Cu 0.204886 0.585657 1.37711e-16 89 63.546 0.00503304 -3.54323 63.546000 Cu 0.410561 0.530424 1.67967e-16 35 63.546 2.85832 -3.4095 63.546000 Cu 0.32527 0.542081 1.55e-16 32 63.546 0.549942 -3.37944 63.546000 Cu 0.26029 0.53697 0.5 34 63.546 0.657434 -3.34305 63.546000 Cu 0.462862 0.550615 1.21263e-17 36 63.546 0.104389 -3.52406 63.546000 Cu 0.484882 0.534014 0.5 37 63.546 0.910709 -3.41783 63.546000 Cu 0.396956 0.546691 0.5 38 63.546 0.204667 -3.4962 63.546000 Cu 0.290347 0.574095 1.57402e-16 62 63.546 0.00738062 -3.54249 63.546000 Cu 0.309275 0.558033 0.5 63 63.546 0.0204627 -3.52125 63.546000 Cu 0.376587 0.562616 2.45047e-16 65 63.546 0.0330521 -3.54548 63.546000 Cu 0.422913 0.583806 1.20062e-19 66 63.546 0.00235145 -3.52479 63.546000 Cu 0.442754 0.56747 0.5 67 63.546 0.0175653 -3.5088 63.546000 Cu 0.356963 0.578958 0.5 68 63.546 0.00199429 -3.53598 63.546000 Cu 0.695442 0.530757 0.5 17 63.546 2.39201 -3.47016 63.546000 Cu 0.546456 0.537307 7.02365e-17 39 63.546 0.458812 -3.37802 63.546000 Cu 0.590886 0.559605 7.20374e-19 40 63.546 0.040799 -3.51655 63.546000 Cu 0.609001 0.542752 0.5 41 63.546 0.376483 -3.42456 63.546000 Cu 0.526935 0.555332 0.5 42 63.546 0.0590779 -3.45532 63.546000 Cu 0.67567 0.548178 1 43 63.546 0.0418171 -3.46072 63.546000 Cu 0.723383 0.569374 1.21863e-16 44 63.546 0.00443231 -3.52635 63.546000 Cu 0.740726 0.553102 0.5 45 63.546 0.0588131 -3.47528 63.546000 Cu 0.656184 0.564489 0.5 46 63.546 0.0221886 -3.51873 63.546000 Cu 0.507714 0.572044 7.20374e-19 69 63.546 0.0125969 -3.50655 63.546000 Cu 0.572945 0.576555 0.5 71 63.546 0.00632791 -3.51571 63.546000 Cu 0.638579 0.580996 0 73 63.546 0.00627078 -3.53807 63.546000 Cu 0.704886 0.585657 0.5 75 63.546 0.00503304 -3.54323 63.546000 Cu 0.910561 0.530424 0.5 20 63.546 2.85832 -3.4095 63.546000 Cu 0.76029 0.53697 0 15 63.546 0.657434 -3.34305 63.546000 Cu 0.896956 0.546691 0 19 63.546 0.204667 -3.4962 63.546000 Cu 0.82527 0.542081 0.5 21 63.546 0.549942 -3.37944 63.546000 Cu 0.984882 0.534014 1.22223e-16 22 63.546 0.910709 -3.41783 63.546000 Cu 0.962862 0.550615 0.5 23 63.546 0.104389 -3.52406 63.546000 Cu 0.809275 0.558033 9.47292e-17 47 63.546 0.0204627 -3.52125 63.546000 Cu 0.856963 0.578958 0 48 63.546 0.00199429 -3.53598 63.546000 Cu 0.876587 0.562616 0.5 49 63.546 0.0330521 -3.54548 63.546000 Cu 0.790347 0.574095 0.5 50 63.546 0.00738062 -3.54249 63.546000 Cu 0.942754 0.56747 0 51 63.546 0.0175653 -3.5088 63.546000 Cu 0.922913 0.583806 0.5 54 63.546 0.00235145 -3.52479 63.546000 Cu 0.120592 0.597612 3.67391e-17 86 63.546 0.000619108 -3.53386 63.546000 Cu 0.0547177 0.593127 0.5 88 63.546 0.00265841 -3.52559 63.546000 Cu 0.186467 0.602157 0.5 92 63.546 0.0019641 -3.54039 63.546000 Cu 0.0361438 0.60958 2.40125e-19 115 63.546 0.00188317 -3.53079 63.546000 Cu 0.0833927 0.630625 1.75291e-16 116 63.546 0.000792259 -3.53271 63.546000 Cu 0.102137 0.61415 0.5 117 63.546 0.000893678 -3.53218 63.546000 Cu 0.0173158 0.62596 0.5 118 63.546 0.000696328 -3.53365 63.546000 Cu 0.167948 0.618721 1.20062e-18 119 63.546 0.000175278 -3.53483 63.546000 Cu 0.215196 0.639869 4.80249e-19 120 63.546 7.29005e-05 -3.53499 63.546000 Cu 0.233782 0.623352 0.5 121 63.546 0.000633778 -3.53652 63.546000 Cu 0.149323 0.635248 0.5 122 63.546 0.000295833 -3.5334 63.546000 Cu 0.0645363 0.64704 0.5 147 63.546 0.00031937 -3.53289 63.546000 Cu 0.488848 0.588573 0.5 72 63.546 0.00593466 -3.51971 63.546000 Cu 0.252428 0.606855 1.70488e-17 90 63.546 0.00172212 -3.53817 63.546000 Cu 0.271361 0.590442 0.5 91 63.546 0.00187107 -3.53934 63.546000 Cu 0.337539 0.595277 2.01945e-16 93 63.546 0.000478619 -3.53503 63.546000 Cu 0.384753 0.616451 1 94 63.546 0.000248601 -3.53418 63.546000 Cu 0.403741 0.600137 0.5 95 63.546 0.000522018 -3.53077 63.546000 Cu 0.318527 0.611646 0.5 96 63.546 0.000803593 -3.5355 63.546000 Cu 0.469933 0.604912 4.34626e-17 97 63.546 0.00117179 -3.53008 63.546000 Cu 0.451047 0.621233 0.5 100 63.546 0.000140581 -3.53374 63.546000 Cu 0.29976 0.628061 1.1502e-16 123 63.546 0.000775313 -3.53685 63.546000 Cu 0.365938 0.632811 0.5 125 63.546 0.000372602 -3.53656 63.546000 Cu 0.281148 0.644526 0.5 126 63.546 0.000265082 -3.53664 63.546000 Cu 0.432179 0.63757 5.4028e-18 127 63.546 0.000104557 -3.53556 63.546000 Cu 0.498387 0.642325 0.5 129 63.546 9.95782e-05 -3.5343 63.546000 Cu 0.554718 0.593127 1 70 63.546 0.00265841 -3.52559 63.546000 Cu 0.686467 0.602157 1.21983e-16 74 63.546 0.0019641 -3.54039 63.546000 Cu 0.620592 0.597612 0.5 76 63.546 0.000619108 -3.53386 63.546000 Cu 0.517316 0.62596 3.60187e-19 98 63.546 0.000696328 -3.53365 63.546000 Cu 0.536144 0.60958 0.5 99 63.546 0.00188317 -3.53079 63.546000 Cu 0.602137 0.61415 1 101 63.546 0.000893678 -3.53218 63.546000 Cu 0.649323 0.635248 8.82458e-17 102 63.546 0.000295833 -3.5334 63.546000 Cu 0.667948 0.618721 0.5 103 63.546 0.000175278 -3.53483 63.546000 Cu 0.583393 0.630625 0.5 104 63.546 0.000792259 -3.53271 63.546000 Cu 0.733782 0.623352 2.14191e-16 105 63.546 0.000633778 -3.53652 63.546000 Cu 0.715196 0.639869 0.5 108 63.546 7.29005e-05 -3.53499 63.546000 Cu 0.564536 0.64704 1.00012e-16 131 63.546 0.00031937 -3.53289 63.546000 Cu 0.988848 0.588573 0 52 63.546 0.00593466 -3.51971 63.546000 Cu 0.771361 0.590442 3.34974e-17 77 63.546 0.00187107 -3.53934 63.546000 Cu 0.818527 0.611646 4.61039e-17 78 63.546 0.000803593 -3.5355 63.546000 Cu 0.837539 0.595277 0.5 79 63.546 0.000478619 -3.53503 63.546000 Cu 0.752428 0.606855 0.5 80 63.546 0.00172212 -3.53817 63.546000 Cu 0.903741 0.600137 1 81 63.546 0.000522018 -3.53077 63.546000 Cu 0.951047 0.621233 1.75651e-16 82 63.546 0.000140581 -3.53374 63.546000 Cu 0.969933 0.604912 0.5 83 63.546 0.00117179 -3.53008 63.546000 Cu 0.884753 0.616451 0.5 84 63.546 0.000248601 -3.53418 63.546000 Cu 0.781148 0.644526 1.21863e-16 106 63.546 0.000265082 -3.53664 63.546000 Cu 0.79976 0.628061 0.5 107 63.546 0.000775313 -3.53685 63.546000 Cu 0.865938 0.632811 1.30508e-16 109 63.546 0.000372602 -3.53656 63.546000 Cu 0.932179 0.63757 0.5 111 63.546 0.000104557 -3.53556 63.546000 Cu 0.998387 0.642325 1.99063e-16 113 63.546 9.95782e-05 -3.5343 63.546000 Cu 0.00793182 0.696226 1 144 63.546 7.64296e-05 -3.53604 63.546000 Cu 0.0456536 0.663426 1 146 63.546 4.57059e-05 -3.53399 63.546000 Cu 0.130583 0.651717 1 148 63.546 0.000386548 -3.53264 63.546000 Cu 0.177802 0.672816 1 149 63.546 0.000153521 -3.53395 63.546000 Cu 0.196553 0.656364 0.5 150 63.546 0.000143344 -3.53402 63.546000 Cu 0.111748 0.668131 0.5 151 63.546 0.000106587 -3.53343 63.546000 Cu 0.243792 0.677482 0.5 155 63.546 5.81201e-05 -3.53463 63.546000 Cu 0.0267782 0.679819 0.5 176 63.546 1.26919e-05 -3.53552 63.546000 Cu 0.0928842 0.684536 1 177 63.546 2.12502e-05 -3.53474 63.546000 Cu 0.14018 0.705639 1 178 63.546 1.08112e-05 -3.53463 63.546000 Cu 0.158982 0.689239 0.5 179 63.546 8.15667e-05 -3.53433 63.546000 Cu 0.0740387 0.700933 0.5 180 63.546 3.82508e-05 -3.53526 63.546000 Cu 0.225051 0.693924 1 181 63.546 8.14181e-05 -3.53423 63.546000 Cu 0.347203 0.649226 3.98607e-17 124 63.546 0.000313623 -3.53743 63.546000 Cu 0.479498 0.658695 0 128 63.546 3.70656e-05 -3.53543 63.546000 Cu 0.413333 0.653956 0.5 130 63.546 0.000170028 -3.53676 63.546000 Cu 0.26251 0.66101 8.40436e-19 152 63.546 3.26762e-05 -3.53554 63.546000 Cu 0.309788 0.682148 1 153 63.546 1.4184e-05 -3.53584 63.546000 Cu 0.328482 0.665682 0.5 154 63.546 0.000114487 -3.53689 63.546000 Cu 0.394546 0.67038 1 156 63.546 0.000133961 -3.537 63.546000 Cu 0.44185 0.691521 1 157 63.546 8.93648e-05 -3.53649 63.546000 Cu 0.460639 0.675095 0.5 158 63.546 9.76344e-05 -3.53643 63.546000 Cu 0.375808 0.686829 0.5 159 63.546 3.57249e-05 -3.53628 63.546000 Cu 0.291108 0.698601 0.5 183 63.546 4.24506e-05 -3.53451 63.546000 Cu 0.357122 0.703279 1 185 63.546 1.24368e-05 -3.53462 63.546000 Cu 0.611748 0.668131 0 132 63.546 0.000106587 -3.53343 63.546000 Cu 0.630583 0.651717 0.5 133 63.546 0.000386548 -3.53264 63.546000 Cu 0.545654 0.663426 0.5 134 63.546 4.57059e-05 -3.53399 63.546000 Cu 0.696553 0.656364 0 135 63.546 0.000143344 -3.53402 63.546000 Cu 0.743792 0.677482 1.38072e-17 136 63.546 5.81201e-05 -3.53463 63.546000 Cu 0.677802 0.672816 0.5 138 63.546 0.000153521 -3.53395 63.546000 Cu 0.526778 0.679819 7.26377e-17 160 63.546 1.26919e-05 -3.53552 63.546000 Cu 0.574039 0.700933 6.33929e-17 161 63.546 3.82508e-05 -3.53526 63.546000 Cu 0.592884 0.684536 0.5 162 63.546 2.12502e-05 -3.53474 63.546000 Cu 0.507932 0.696226 0.5 163 63.546 7.64296e-05 -3.53604 63.546000 Cu 0.658982 0.689239 6.95161e-17 164 63.546 8.15667e-05 -3.53433 63.546000 Cu 0.725051 0.693924 0.5 166 63.546 8.14181e-05 -3.53423 63.546000 Cu 0.64018 0.705639 0.5 167 63.546 1.08112e-05 -3.53463 63.546000 Cu 0.913333 0.653956 4.10613e-17 110 63.546 0.000170028 -3.53676 63.546000 Cu 0.847203 0.649226 0.5 112 63.546 0.000313623 -3.53743 63.546000 Cu 0.979498 0.658695 0.5 114 63.546 3.70656e-05 -3.53543 63.546000 Cu 0.76251 0.66101 0.5 137 63.546 3.26762e-05 -3.53554 63.546000 Cu 0.828482 0.665682 5.88305e-17 139 63.546 0.000114487 -3.53689 63.546000 Cu 0.875808 0.686829 1.66646e-16 140 63.546 3.57249e-05 -3.53628 63.546000 Cu 0.894546 0.67038 0.5 141 63.546 0.000133961 -3.537 63.546000 Cu 0.809788 0.682148 0.5 142 63.546 1.4184e-05 -3.53584 63.546000 Cu 0.960639 0.675095 1.22704e-16 143 63.546 9.76344e-05 -3.53643 63.546000 Cu 0.94185 0.691521 0.5 145 63.546 8.93648e-05 -3.53649 63.546000 Cu 0.791108 0.698601 1.21503e-16 168 63.546 4.24506e-05 -3.53451 63.546000 Cu 0.857122 0.703279 0.5 170 63.546 1.24368e-05 -3.53462 63.546000 Cu 0.206301 0.710336 0.5 184 63.546 2.79737e-05 -3.53469 63.546000 Cu 0.0552851 0.71734 1 206 63.546 6.61575e-05 -3.53488 63.546000 Cu 0.102707 0.738432 1 207 63.546 5.76826e-05 -3.53427 63.546000 Cu 0.121408 0.722033 0.5 208 63.546 2.83952e-05 -3.53456 63.546000 Cu 0.0366412 0.733754 0.5 209 63.546 1.8654e-05 -3.53402 63.546000 Cu 0.187542 0.726734 0 210 63.546 1.05325e-05 -3.53496 63.546000 Cu 0.234977 0.747829 0 211 63.546 4.27394e-06 -3.53491 63.546000 Cu 0.168838 0.743126 0.5 213 63.546 1.81952e-05 -3.53476 63.546000 Cu 0.0180086 0.750174 1 236 63.546 5.01114e-06 -3.53397 63.546000 Cu 0.0840674 0.754844 0.5 238 63.546 2.42251e-05 -3.53424 63.546000 Cu 0.150164 0.759521 4.80249e-19 239 63.546 3.81691e-05 -3.53469 63.546000 Cu 0.216298 0.764217 0.5 241 63.546 1.69303e-05 -3.53467 63.546000 Cu 0.272408 0.715028 1 182 63.546 4.78776e-05 -3.5346 63.546000 Cu 0.404515 0.724398 2.68579e-16 186 63.546 7.16413e-06 -3.5345 63.546000 Cu 0.423143 0.707966 0.5 187 63.546 3.37282e-05 -3.53518 63.546000 Cu 0.33846 0.719715 0.5 188 63.546 2.44632e-05 -3.53431 63.546000 Cu 0.489192 0.71265 0 189 63.546 6.83899e-05 -3.53527 63.546000 Cu 0.470571 0.729078 0.5 192 63.546 6.03497e-06 -3.53437 63.546000 Cu 0.253685 0.731438 0.5 212 63.546 3.01838e-05 -3.535 63.546000 Cu 0.319796 0.736135 2.24517e-17 214 63.546 3.60292e-05 -3.53497 63.546000 Cu 0.367244 0.757239 0 215 63.546 3.61101e-05 -3.53546 63.546000 Cu 0.385896 0.740826 0.5 216 63.546 3.3546e-05 -3.53507 63.546000 Cu 0.301134 0.752538 0.5 217 63.546 2.71868e-05 -3.5351 63.546000 Cu 0.451958 0.745504 1.82735e-16 218 63.546 7.66582e-06 -3.53454 63.546000 Cu 0.433347 0.761928 0.5 221 63.546 3.74081e-05 -3.53492 63.546000 Cu 0.706301 0.710336 1.55241e-16 165 63.546 2.79737e-05 -3.53469 63.546000 Cu 0.536641 0.733754 1.20062e-19 190 63.546 1.8654e-05 -3.53402 63.546000 Cu 0.555285 0.71734 0.5 191 63.546 6.61575e-05 -3.53488 63.546000 Cu 0.621408 0.722033 1.12018e-16 193 63.546 2.83952e-05 -3.53456 63.546000 Cu 0.668838 0.743126 2.32921e-17 194 63.546 1.81952e-05 -3.53476 63.546000 Cu 0.687542 0.726734 0.5 195 63.546 1.05325e-05 -3.53496 63.546000 Cu 0.602707 0.738432 0.5 196 63.546 5.76826e-05 -3.53427 63.546000 Cu 0.734977 0.747829 0.5 200 63.546 4.27394e-06 -3.53491 63.546000 Cu 0.518009 0.750174 0.5 220 63.546 5.01114e-06 -3.53397 63.546000 Cu 0.584067 0.754844 7.67198e-17 222 63.546 2.42251e-05 -3.53424 63.546000 Cu 0.650164 0.759521 0.5 224 63.546 3.81691e-05 -3.53469 63.546000 Cu 0.716298 0.764217 1 226 63.546 1.69303e-05 -3.53467 63.546000 Cu 0.83846 0.719715 1.85136e-16 169 63.546 2.44632e-05 -3.53431 63.546000 Cu 0.772408 0.715028 0.5 171 63.546 4.78776e-05 -3.5346 63.546000 Cu 0.923143 0.707966 3.72193e-18 172 63.546 3.37282e-05 -3.53518 63.546000 Cu 0.970571 0.729078 4.14215e-17 173 63.546 6.03497e-06 -3.53437 63.546000 Cu 0.989192 0.71265 0.5 174 63.546 6.83899e-05 -3.53527 63.546000 Cu 0.904515 0.724398 0.5 175 63.546 7.16413e-06 -3.5345 63.546000 Cu 0.753685 0.731438 2.35322e-17 197 63.546 3.01838e-05 -3.535 63.546000 Cu 0.801134 0.752538 6.99963e-17 198 63.546 2.71868e-05 -3.5351 63.546000 Cu 0.819796 0.736135 0.5 199 63.546 3.60292e-05 -3.53497 63.546000 Cu 0.885896 0.740826 0 201 63.546 3.3546e-05 -3.53507 63.546000 Cu 0.933347 0.761928 7.20374e-19 202 63.546 3.74081e-05 -3.53492 63.546000 Cu 0.951958 0.745504 0.5 203 63.546 7.66582e-06 -3.53454 63.546000 Cu 0.867244 0.757239 0.5 204 63.546 3.61101e-05 -3.53546 63.546000 Cu 0.0654394 0.771257 1.08056e-18 237 63.546 2.49955e-05 -3.5343 63.546000 Cu 0.197624 0.780603 1 240 63.546 5.79413e-05 -3.53422 63.546000 Cu 0.131508 0.775924 0.5 242 63.546 5.63004e-05 -3.53437 63.546000 Cu 0.00982457 0.820542 0.5 265 63.546 0.000176106 -3.53492 63.546000 Cu 0.0283244 0.804121 1 267 63.546 6.05378e-05 -3.5349 63.546000 Cu 0.0468506 0.787685 0.5 268 63.546 1.60466e-05 -3.53507 63.546000 Cu 0.112901 0.792337 1 269 63.546 6.72429e-05 -3.53426 63.546000 Cu 0.160445 0.81341 1 270 63.546 8.09051e-05 -3.53337 63.546000 Cu 0.178985 0.796999 0.5 271 63.546 0.000110932 -3.53404 63.546000 Cu 0.0943855 0.808764 0.5 272 63.546 1.05368e-05 -3.53401 63.546000 Cu 0.245113 0.801683 9.2448e-18 273 63.546 0.000109221 -3.53456 63.546000 Cu 0.226543 0.818075 0.5 276 63.546 0.000118123 -3.53375 63.546000 Cu 0.499386 0.766598 1 219 63.546 6.21292e-06 -3.53412 63.546000 Cu 0.282456 0.768927 1.20062e-18 243 63.546 8.22069e-06 -3.53498 63.546000 Cu 0.329957 0.790026 1 244 63.546 1.7182e-05 -3.53535 63.546000 Cu 0.348609 0.773643 0.5 245 63.546 5.62558e-05 -3.53585 63.546000 Cu 0.263759 0.785302 0.5 246 63.546 4.87641e-05 -3.5347 63.546000 Cu 0.414735 0.778348 1.10337e-16 247 63.546 0.000102754 -3.53567 63.546000 Cu 0.462255 0.799455 5.23472e-17 248 63.546 0.00020292 -3.53527 63.546000 Cu 0.480795 0.783025 0.5 249 63.546 3.39996e-05 -3.53534 63.546000 Cu 0.396122 0.79475 0.5 250 63.546 0.000125995 -3.5353 63.546000 Cu 0.292681 0.822769 0 274 63.546 8.08766e-05 -3.53408 63.546000 Cu 0.31129 0.806392 0.5 275 63.546 4.40721e-05 -3.53485 63.546000 Cu 0.377492 0.811125 0 277 63.546 1.68213e-05 -3.53447 63.546000 Cu 0.443675 0.81585 0.5 279 63.546 0.000158464 -3.53445 63.546000 Cu 0.631508 0.775924 9.55696e-17 223 63.546 5.63004e-05 -3.53437 63.546000 Cu 0.565439 0.771257 0.5 225 63.546 2.49955e-05 -3.5343 63.546000 Cu 0.697624 0.780603 0.5 229 63.546 5.79413e-05 -3.53422 63.546000 Cu 0.546851 0.787685 1 251 63.546 1.60466e-05 -3.53507 63.546000 Cu 0.594385 0.808764 1 252 63.546 1.05368e-05 -3.53401 63.546000 Cu 0.612901 0.792337 0.5 253 63.546 6.72429e-05 -3.53426 63.546000 Cu 0.528324 0.804121 0.5 254 63.546 6.05378e-05 -3.5349 63.546000 Cu 0.678985 0.796999 1.22944e-16 255 63.546 0.000110932 -3.53404 63.546000 Cu 0.726543 0.818075 1 256 63.546 0.000118123 -3.53375 63.546000 Cu 0.745113 0.801683 0.5 257 63.546 0.000109221 -3.53456 63.546000 Cu 0.660445 0.81341 0.5 258 63.546 8.09051e-05 -3.53337 63.546000 Cu 0.509825 0.820542 8.53643e-17 281 63.546 0.000176106 -3.53492 63.546000 Cu 0.999386 0.766598 0.5 205 63.546 6.21292e-06 -3.53412 63.546000 Cu 0.763759 0.785302 1 227 63.546 4.87641e-05 -3.5347 63.546000 Cu 0.782456 0.768927 0.5 228 63.546 8.22069e-06 -3.53498 63.546000 Cu 0.848609 0.773643 2.40125e-19 230 63.546 5.62558e-05 -3.53585 63.546000 Cu 0.896122 0.79475 1.20062e-18 231 63.546 0.000125995 -3.5353 63.546000 Cu 0.914735 0.778348 0.5 232 63.546 0.000102754 -3.53567 63.546000 Cu 0.829957 0.790026 0.5 233 63.546 1.7182e-05 -3.53535 63.546000 Cu 0.980795 0.783025 1 234 63.546 3.39996e-05 -3.53534 63.546000 Cu 0.962255 0.799455 0.5 235 63.546 0.00020292 -3.53527 63.546000 Cu 0.81129 0.806392 6.00312e-19 259 63.546 4.40721e-05 -3.53485 63.546000 Cu 0.877492 0.811125 0.5 261 63.546 1.68213e-05 -3.53447 63.546000 Cu 0.792681 0.822769 0.5 262 63.546 8.08766e-05 -3.53408 63.546000 Cu 0.943675 0.81585 1 263 63.546 0.000158464 -3.53445 63.546000 Cu 0.0759255 0.825201 1.23544e-16 297 63.546 7.34187e-05 -3.53463 63.546000 Cu 0.123424 0.846291 0 298 63.546 3.97134e-05 -3.53581 63.546000 Cu 0.141953 0.829838 0.5 299 63.546 4.01305e-05 -3.53437 63.546000 Cu 0.0573842 0.841635 0.5 300 63.546 0.000192319 -3.53568 63.546000 Cu 0.20799 0.834485 0 301 63.546 0.000143806 -3.53443 63.546000 Cu 0.189445 0.850927 0.5 304 63.546 1.74459e-05 -3.53541 63.546000 Cu 0.0387826 0.858056 1.22584e-16 327 63.546 0.000399276 -3.53577 63.546000 Cu 0.0862523 0.879149 5.64293e-18 328 63.546 0.000433868 -3.53616 63.546000 Cu 0.10484 0.862737 0.5 329 63.546 0.000237503 -3.53611 63.546000 Cu 0.0200359 0.874433 0.5 330 63.546 0.000230551 -3.53495 63.546000 Cu 0.170909 0.867377 1.01693e-16 331 63.546 4.13113e-05 -3.53616 63.546000 Cu 0.236904 0.872007 0.5 333 63.546 9.02123e-05 -3.53444 63.546000 Cu 0.425076 0.832219 1.11658e-16 278 63.546 3.16696e-05 -3.53484 63.546000 Cu 0.358862 0.827485 0.5 280 63.546 2.15656e-05 -3.53433 63.546000 Cu 0.491277 0.836945 0.5 284 63.546 0.000221519 -3.53555 63.546000 Cu 0.255482 0.855564 8.21226e-17 302 63.546 0.000189467 -3.53424 63.546000 Cu 0.274082 0.839152 0.5 303 63.546 0.000192291 -3.53409 63.546000 Cu 0.340254 0.843849 1.40233e-16 305 63.546 0.000145502 -3.53455 63.546000 Cu 0.387678 0.864938 6.21923e-17 306 63.546 0.000172696 -3.53457 63.546000 Cu 0.406466 0.848583 0.5 307 63.546 9.4962e-05 -3.53502 63.546000 Cu 0.321554 0.860229 0.5 308 63.546 0.000344735 -3.53396 63.546000 Cu 0.472634 0.853326 0 309 63.546 0.000156859 -3.53571 63.546000 Cu 0.453843 0.86969 0.5 312 63.546 3.41087e-05 -3.53509 63.546000 Cu 0.302853 0.876644 2.25957e-16 335 63.546 0.000398571 -3.53306 63.546000 Cu 0.368838 0.881314 0.5 337 63.546 0.000626279 -3.53332 63.546000 Cu 0.557384 0.841635 0 282 63.546 0.000192319 -3.53568 63.546000 Cu 0.575925 0.825201 0.5 283 63.546 7.34187e-05 -3.53463 63.546000 Cu 0.641953 0.829838 4.80249e-19 285 63.546 4.01305e-05 -3.53437 63.546000 Cu 0.689445 0.850927 1 286 63.546 1.74459e-05 -3.53541 63.546000 Cu 0.70799 0.834485 0.5 287 63.546 0.000143806 -3.53443 63.546000 Cu 0.623424 0.846291 0.5 288 63.546 3.97134e-05 -3.53581 63.546000 Cu 0.520036 0.874433 1.21983e-16 310 63.546 0.000230551 -3.53495 63.546000 Cu 0.538783 0.858056 0.5 311 63.546 0.000399276 -3.53577 63.546000 Cu 0.60484 0.862737 1 313 63.546 0.000237503 -3.53611 63.546000 Cu 0.670909 0.867377 0.5 315 63.546 4.13113e-05 -3.53616 63.546000 Cu 0.586252 0.879149 0.5 316 63.546 0.000433868 -3.53616 63.546000 Cu 0.736904 0.872007 1 317 63.546 9.02123e-05 -3.53444 63.546000 Cu 0.858862 0.827485 8.40436e-19 260 63.546 2.15656e-05 -3.53433 63.546000 Cu 0.991277 0.836945 7.20374e-19 264 63.546 0.000221519 -3.53555 63.546000 Cu 0.925076 0.832219 0.5 266 63.546 3.16696e-05 -3.53484 63.546000 Cu 0.774082 0.839152 8.40436e-19 289 63.546 0.000192291 -3.53409 63.546000 Cu 0.821554 0.860229 6.86756e-17 290 63.546 0.000344735 -3.53396 63.546000 Cu 0.840254 0.843849 0.5 291 63.546 0.000145502 -3.53455 63.546000 Cu 0.755482 0.855564 0.5 292 63.546 0.000189467 -3.53424 63.546000 Cu 0.906466 0.848583 1 293 63.546 9.4962e-05 -3.53502 63.546000 Cu 0.953843 0.86969 1.21623e-16 294 63.546 3.41087e-05 -3.53509 63.546000 Cu 0.972634 0.853326 0.5 295 63.546 0.000156859 -3.53571 63.546000 Cu 0.887678 0.864938 0.5 296 63.546 0.000172696 -3.53457 63.546000 Cu 0.802853 0.876644 0.5 319 63.546 0.000398571 -3.53306 63.546000 Cu 0.868838 0.881314 0 321 63.546 0.000626279 -3.53332 63.546000 Cu 0.218379 0.888484 2.45768e-16 332 63.546 0.000117364 -3.53579 63.546000 Cu 0.152403 0.883834 0.5 334 63.546 0.000467438 -3.53696 63.546000 Cu 0.0487435 0.911827 1.20062e-19 358 63.546 5.74294e-05 -3.5344 63.546000 Cu 0.0675657 0.89551 0.5 359 63.546 0.000243268 -3.53584 63.546000 Cu 0.133796 0.900247 8.54844e-17 360 63.546 0.000663674 -3.53617 63.546000 Cu 0.181259 0.921375 0 361 63.546 0.000995791 -3.53396 63.546000 Cu 0.199889 0.90496 0.5 362 63.546 0.00082072 -3.53569 63.546000 Cu 0.115091 0.916601 0.5 363 63.546 0.000530544 -3.53451 63.546000 Cu 0.247312 0.926126 0.5 367 63.546 0.00175912 -3.53796 63.546000 Cu 0.0299147 0.928113 0.5 388 63.546 0.000747777 -3.52962 63.546000 Cu 0.0961688 0.932898 2.97755e-17 389 63.546 0.000480029 -3.5303 63.546000 Cu 0.162365 0.937739 0.5 391 63.546 0.00090537 -3.53338 63.546000 Cu 0.00126713 0.890768 2.16112e-18 325 63.546 1.98275e-05 -3.53447 63.546000 Cu 0.35015 0.897733 1.23064e-16 336 63.546 0.000818259 -3.53266 63.546000 Cu 0.284251 0.893114 0.5 338 63.546 0.000140947 -3.53387 63.546000 Cu 0.434995 0.88603 5.93108e-17 339 63.546 0.000216367 -3.53423 63.546000 Cu 0.482452 0.907086 2.78665e-16 340 63.546 0.000266246 -3.53359 63.546000 Cu 0.416208 0.902384 0.5 342 63.546 0.000941043 -3.53313 63.546000 Cu 0.265807 0.909627 1.65206e-16 364 63.546 0.000401844 -3.53613 63.546000 Cu 0.313265 0.930787 5.12666e-17 365 63.546 0.00152069 -3.54103 63.546000 Cu 0.331629 0.914225 0.5 366 63.546 0.000269941 -3.53506 63.546000 Cu 0.397528 0.918794 1.55e-16 368 63.546 0.0016896 -3.53308 63.546000 Cu 0.445062 0.939812 8.87261e-17 369 63.546 0.00364253 -3.52632 63.546000 Cu 0.46361 0.92341 0.5 370 63.546 0.00192936 -3.53048 63.546000 Cu 0.379123 0.935311 0.5 371 63.546 0.000761153 -3.53508 63.546000 Cu 0.501267 0.890768 0.5 341 63.546 1.98275e-05 -3.53447 63.546000 Cu 0.652403 0.883834 1 314 63.546 0.000467438 -3.53696 63.546000 Cu 0.718379 0.888484 0.5 320 63.546 0.000117364 -3.53579 63.546000 Cu 0.567566 0.89551 0 343 63.546 0.000243268 -3.53584 63.546000 Cu 0.615091 0.916601 5.16268e-17 344 63.546 0.000530544 -3.53451 63.546000 Cu 0.633796 0.900247 0.5 345 63.546 0.000663674 -3.53617 63.546000 Cu 0.548743 0.911827 0.5 346 63.546 5.74294e-05 -3.5344 63.546000 Cu 0.699889 0.90496 2.40125e-18 347 63.546 0.00082072 -3.53569 63.546000 Cu 0.747312 0.926126 0 348 63.546 0.00175912 -3.53796 63.546000 Cu 0.681259 0.921375 0.5 350 63.546 0.000995791 -3.53396 63.546000 Cu 0.529915 0.928113 1.22944e-16 372 63.546 0.000747777 -3.52962 63.546000 Cu 0.596169 0.932898 0.5 374 63.546 0.000480029 -3.5303 63.546000 Cu 0.662365 0.937739 7.23976e-17 376 63.546 0.00090537 -3.53338 63.546000 Cu 0.784251 0.893114 2.71341e-17 318 63.546 0.000140947 -3.53387 63.546000 Cu 0.916208 0.902384 2.40125e-19 322 63.546 0.000941043 -3.53313 63.546000 Cu 0.934995 0.88603 0.5 323 63.546 0.000216367 -3.53423 63.546000 Cu 0.85015 0.897733 0.5 324 63.546 0.000818259 -3.53266 63.546000 Cu 0.982452 0.907086 0.5 326 63.546 0.000266246 -3.53359 63.546000 Cu 0.765807 0.909627 0.5 349 63.546 0.000401844 -3.53613 63.546000 Cu 0.831629 0.914225 4.32224e-17 351 63.546 0.000269941 -3.53506 63.546000 Cu 0.879123 0.935311 1 352 63.546 0.000761153 -3.53508 63.546000 Cu 0.897528 0.918794 0.5 353 63.546 0.0016896 -3.53308 63.546000 Cu 0.813265 0.930787 0.5 354 63.546 0.00152069 -3.54103 63.546000 Cu 0.96361 0.92341 1 355 63.546 0.00192936 -3.53048 63.546000 Cu 0.945062 0.939812 0.5 357 63.546 0.00364253 -3.52632 63.546000 Cu 0.0149595 0.998895 7.3118e-17 425 63.546 0.91863 -3.4187 63.546000 Cu 0.010977 0.944403 6.59142e-17 356 63.546 0.00586984 -3.52001 63.546000 Cu 0.14298 0.954036 1 390 63.546 0.00188323 -3.53464 63.546000 Cu 0.0770037 0.949186 0.5 392 63.546 0.00204692 -3.52464 63.546000 Cu 0.228494 0.942536 8.10421e-17 393 63.546 0.00195165 -3.53871 63.546000 Cu 0.209598 0.958878 0.5 396 63.546 0.00725345 -3.54216 63.546000 Cu 0.0571756 0.965492 1 414 63.546 0.0163695 -3.50915 63.546000 Cu 0.102988 0.986257 1 415 63.546 0.201212 -3.49658 63.546000 Cu 0.123374 0.970351 0.5 416 63.546 0.0318999 -3.54418 63.546000 Cu 0.0370685 0.982303 0.5 417 63.546 0.101934 -3.52539 63.546000 Cu 0.190654 0.974934 9.14875e-17 418 63.546 0.0207537 -3.51995 63.546000 Cu 0.239659 0.995962 5.88305e-18 419 63.546 0.667999 -3.34212 63.546000 Cu 0.17468 0.990867 0.5 421 63.546 0.551623 -3.38099 63.546000 Cu 0.276499 0.963571 1.22223e-16 394 63.546 0.00461494 -3.52606 63.546000 Cu 0.294959 0.94729 0.5 395 63.546 0.00497825 -3.54311 63.546000 Cu 0.361218 0.951924 8.89662e-17 397 63.546 0.00542963 -3.53849 63.546000 Cu 0.408926 0.973305 8.57245e-17 398 63.546 0.0390929 -3.51637 63.546000 Cu 0.426848 0.956363 0.5 399 63.546 0.00678258 -3.51642 63.546000 Cu 0.343659 0.968435 0.5 400 63.546 0.022132 -3.51808 63.546000 Cu 0.492111 0.960891 3.04958e-17 401 63.546 0.0130131 -3.50751 63.546000 Cu 0.472921 0.977572 0.5 404 63.546 0.0620858 -3.45643 63.546000 Cu 0.259185 0.979846 0.5 420 63.546 0.0604475 -3.47393 63.546000 Cu 0.324178 0.984742 1.29667e-17 422 63.546 0.0439117 -3.45946 63.546000 Cu 0.390851 0.990149 0.5 423 63.546 0.380523 -3.42522 63.546000 Cu 0.453414 0.995589 2.44927e-16 424 63.546 0.458872 -3.37795 63.546000 Cu 0.51496 0.998895 0.5 444 63.546 0.91863 -3.4187 63.546000 Cu 0.577004 0.949186 1 373 63.546 0.00204692 -3.52464 63.546000 Cu 0.510977 0.944403 0.5 375 63.546 0.00586984 -3.52001 63.546000 Cu 0.709598 0.958878 3.24168e-17 377 63.546 0.00725345 -3.54216 63.546000 Cu 0.728494 0.942536 0.5 378 63.546 0.00195165 -3.53871 63.546000 Cu 0.64298 0.954036 0.5 379 63.546 0.00188323 -3.53464 63.546000 Cu 0.537068 0.982303 1.19582e-16 402 63.546 0.101934 -3.52539 63.546000 Cu 0.557176 0.965492 0.5 403 63.546 0.0163695 -3.50915 63.546000 Cu 0.623374 0.970351 2.64137e-17 405 63.546 0.0318999 -3.54418 63.546000 Cu 0.67468 0.990867 1 406 63.546 0.551623 -3.38099 63.546000 Cu 0.690654 0.974934 0.5 407 63.546 0.0207537 -3.51995 63.546000 Cu 0.602988 0.986257 0.5 408 63.546 0.201212 -3.49658 63.546000 Cu 0.739659 0.995962 0.5 411 63.546 0.667999 -3.34212 63.546000 Cu 0.794959 0.94729 1.20062e-19 380 63.546 0.00497825 -3.54311 63.546000 Cu 0.843659 0.968435 1 381 63.546 0.022132 -3.51808 63.546000 Cu 0.861218 0.951924 0.5 382 63.546 0.00542963 -3.53849 63.546000 Cu 0.776499 0.963571 0.5 383 63.546 0.00461494 -3.52606 63.546000 Cu 0.926848 0.956363 1.149e-16 384 63.546 0.00678258 -3.51642 63.546000 Cu 0.972921 0.977572 1 385 63.546 0.0620858 -3.45643 63.546000 Cu 0.992111 0.960891 0.5 386 63.546 0.0130131 -3.50751 63.546000 Cu 0.908926 0.973305 0.5 387 63.546 0.0390929 -3.51637 63.546000 Cu 0.759185 0.979846 1.80093e-17 409 63.546 0.0604475 -3.47393 63.546000 Cu 0.824178 0.984742 0.5 410 63.546 0.0439117 -3.45946 63.546000 Cu 0.890851 0.990149 7.68399e-18 412 63.546 0.380523 -3.42522 63.546000 Cu 0.953414 0.995589 0.5 413 63.546 0.458872 -3.37795