Number of particles = 920 A = 1 Angstrom (basic length-scale) H0(1,1) = 27.3939 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 109.898 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60745 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 0.0297137 0.010922 1 481 63.546 2.86218 -3.58078 63.546000 Cu 0.0898211 0.00813778 0.5 484 63.546 8.60433 -2.88667 63.546000 Cu 0.0862035 0.042302 6.21979e-17 497 63.546 0.0302567 -3.51296 63.546000 Cu 0.0567531 0.0280104 0.5 498 63.546 0.465088 -3.38861 63.546000 Cu 0.0251016 0.0493451 0.5 499 63.546 0.0524197 -3.48223 63.546000 Cu 0.122162 0.0205849 1.29342e-16 500 63.546 0.980524 -3.38476 63.546000 Cu 0.206048 0.0287581 2.06499e-16 501 63.546 0.372511 -3.45115 63.546000 Cu 0.182678 0.00966989 0.5 502 63.546 8.06779 -3.79331 63.546000 Cu 0.147143 0.0348735 0.5 503 63.546 0.339713 -3.52298 63.546000 Cu 0.244642 0.00858347 2.02868e-19 504 63.546 11.5088 -3.03611 63.546000 Cu 0.172259 0.050717 1.57135e-16 527 63.546 0.0237004 -3.52962 63.546000 Cu 0.231531 0.0446758 0.5 529 63.546 0.0197094 -3.49487 63.546000 Cu 0.325809 0.0188757 1.08839e-16 505 63.546 3.84964 -3.04962 63.546000 Cu 0.266576 0.0229603 0.5 507 63.546 1.02068 -3.42724 63.546000 Cu 0.38486 0.00964784 0.5 509 63.546 2.9214 -3.514 63.546000 Cu 0.290755 0.0391657 1.66953e-17 531 63.546 0.247571 -3.43933 63.546000 Cu 0.379337 0.0468618 6.42416e-19 532 63.546 0.0491614 -3.5439 63.546000 Cu 0.353851 0.0324113 0.5 533 63.546 0.160208 -3.42723 63.546000 Cu 0.318173 0.0537857 0.5 534 63.546 0.0168852 -3.52154 63.546000 Cu 0.413972 0.0242417 8.82252e-17 535 63.546 0.859764 -3.47382 63.546000 Cu 0.498733 0.0338121 1.02028e-16 536 63.546 0.0617786 -3.4657 63.546000 Cu 0.470483 0.0185462 0.5 537 63.546 1.11959 -3.3142 63.546000 Cu 0.439418 0.0403761 0.5 538 63.546 0.0406766 -3.49864 63.546000 Cu 0.744642 0.00858347 2.68275e-17 468 63.546 11.5088 -3.03611 63.546000 Cu 0.682678 0.00966989 0.5 469 63.546 8.06779 -3.79331 63.546000 Cu 0.672259 0.050717 1.40659e-16 471 63.546 0.0237004 -3.52962 63.546000 Cu 0.706048 0.0287581 1.78449e-19 472 63.546 0.372511 -3.45115 63.546000 Cu 0.731531 0.0446758 0.5 475 63.546 0.0197094 -3.49487 63.546000 Cu 0.529714 0.010922 5.36342e-17 539 63.546 2.86218 -3.58078 63.546000 Cu 0.622162 0.0205849 3.28722e-19 540 63.546 0.980524 -3.38476 63.546000 Cu 0.589821 0.00813778 0.5 541 63.546 8.60433 -2.88667 63.546000 Cu 0.556753 0.0280104 0.5 542 63.546 0.465088 -3.38861 63.546000 Cu 0.525102 0.0493451 0.5 571 63.546 0.0524197 -3.48223 63.546000 Cu 0.586204 0.042302 1.47391e-16 573 63.546 0.0302567 -3.51296 63.546000 Cu 0.647143 0.0348735 0.5 574 63.546 0.339713 -3.52298 63.546000 Cu 0.998733 0.0338121 1.23725e-16 496 63.546 0.0617786 -3.4657 63.546000 Cu 0.790755 0.0391657 4.09644e-17 473 63.546 0.247571 -3.43933 63.546000 Cu 0.766576 0.0229603 0.5 474 63.546 1.02068 -3.42724 63.546000 Cu 0.825809 0.0188757 4.09644e-17 476 63.546 3.84964 -3.04962 63.546000 Cu 0.913972 0.0242417 9.23351e-17 477 63.546 0.859764 -3.47382 63.546000 Cu 0.88486 0.00964784 0.5 478 63.546 2.9214 -3.514 63.546000 Cu 0.853851 0.0324113 0.5 479 63.546 0.160208 -3.42723 63.546000 Cu 0.970483 0.0185462 0.5 482 63.546 1.11959 -3.3142 63.546000 Cu 0.818173 0.0537857 0.5 490 63.546 0.0168852 -3.52154 63.546000 Cu 0.879337 0.0468618 8.39086e-17 492 63.546 0.0491614 -3.5439 63.546000 Cu 0.939418 0.0403761 0.5 494 63.546 0.0406766 -3.49864 63.546000 Cu 0.0174153 0.0857782 1 520 63.546 0.000658774 -3.53523 63.546000 Cu 0.0519464 0.0641013 2.29166e-19 523 63.546 0.00395472 -3.52748 63.546000 Cu 0.138066 0.0725725 1.05268e-16 524 63.546 0.00869105 -3.53875 63.546000 Cu 0.112545 0.0571798 0.5 525 63.546 0.0409814 -3.5471 63.546000 Cu 0.0779598 0.0790841 0.5 526 63.546 0.00901358 -3.54355 63.546000 Cu 0.197753 0.0663519 0.5 530 63.546 0.00387891 -3.52137 63.546000 Cu 0.0434479 0.100838 0.5 555 63.546 0.00232818 -3.5405 63.546000 Cu 0.103656 0.0943256 3.24401e-17 557 63.546 0.00294391 -3.53938 63.546000 Cu 0.189486 0.103272 1.53062e-16 558 63.546 0.00207482 -3.52879 63.546000 Cu 0.163636 0.0879852 0.5 559 63.546 0.000927343 -3.53035 63.546000 Cu 0.129396 0.109616 0.5 560 63.546 0.000281989 -3.53385 63.546000 Cu 0.223601 0.0817456 1 561 63.546 0.00906611 -3.51966 63.546000 Cu 0.249768 0.0968492 0.5 564 63.546 0.00178434 -3.53045 63.546000 Cu 0.257407 0.0603177 1.54452e-16 528 63.546 0.04295 -3.49888 63.546000 Cu 0.310189 0.0902982 1.8928e-16 562 63.546 0.000386828 -3.53732 63.546000 Cu 0.283966 0.0753055 0.5 563 63.546 0.00486017 -3.52597 63.546000 Cu 0.34454 0.0686303 6.1424e-19 565 63.546 0.00451249 -3.54294 63.546000 Cu 0.430785 0.0772658 8.44834e-17 566 63.546 0.000522969 -3.53235 63.546000 Cu 0.404885 0.0620725 0.5 567 63.546 0.00334795 -3.53944 63.546000 Cu 0.370527 0.0837449 0.5 568 63.546 0.000705602 -3.53854 63.546000 Cu 0.465152 0.055645 1.86316e-16 569 63.546 0.00386892 -3.51749 63.546000 Cu 0.491121 0.0708176 0.5 572 63.546 0.00653812 -3.52144 63.546000 Cu 0.336234 0.105392 0.5 598 63.546 8.00833e-05 -3.53708 63.546000 Cu 0.396549 0.0988873 4.1325e-19 600 63.546 6.89158e-05 -3.53397 63.546000 Cu 0.483023 0.107437 6.9766e-17 601 63.546 0.000209543 -3.53535 63.546000 Cu 0.456892 0.0923886 0.5 602 63.546 0.000981508 -3.53057 63.546000 Cu 0.723601 0.0817456 3.19217e-17 485 63.546 0.00906611 -3.51966 63.546000 Cu 0.697753 0.0663519 0.5 486 63.546 0.00387891 -3.52137 63.546000 Cu 0.663636 0.0879852 0.5 487 63.546 0.000927343 -3.53035 63.546000 Cu 0.689486 0.103272 5.48871e-18 511 63.546 0.00207482 -3.52879 63.546000 Cu 0.551946 0.0641013 6.78313e-17 570 63.546 0.00395472 -3.52748 63.546000 Cu 0.612545 0.0571798 0.5 575 63.546 0.0409814 -3.5471 63.546000 Cu 0.517415 0.0857782 3.73804e-19 604 63.546 0.000658774 -3.53523 63.546000 Cu 0.603656 0.0943256 6.53856e-17 605 63.546 0.00294391 -3.53938 63.546000 Cu 0.57796 0.0790841 0.5 606 63.546 0.00901358 -3.54355 63.546000 Cu 0.543448 0.100838 0.5 607 63.546 0.00232818 -3.5405 63.546000 Cu 0.638066 0.0725725 9.82803e-17 608 63.546 0.00869105 -3.53875 63.546000 Cu 0.629396 0.109616 0.5 640 63.546 0.000281989 -3.53385 63.546000 Cu 0.749768 0.0968492 0.5 513 63.546 0.00178434 -3.53045 63.546000 Cu 0.757407 0.0603177 2.3538e-16 488 63.546 0.04295 -3.49888 63.546000 Cu 0.84454 0.0686303 3.54005e-17 489 63.546 0.00451249 -3.54294 63.546000 Cu 0.783966 0.0753055 0.5 491 63.546 0.00486017 -3.52597 63.546000 Cu 0.965152 0.055645 1.09087e-16 493 63.546 0.00386892 -3.51749 63.546000 Cu 0.904885 0.0620725 0.5 495 63.546 0.00334795 -3.53944 63.546000 Cu 0.810189 0.0902982 9.09601e-17 515 63.546 0.000386828 -3.53732 63.546000 Cu 0.896549 0.0988873 5.29712e-19 516 63.546 6.89158e-05 -3.53397 63.546000 Cu 0.870527 0.0837449 0.5 517 63.546 0.000705602 -3.53854 63.546000 Cu 0.836234 0.105392 0.5 518 63.546 8.00833e-05 -3.53708 63.546000 Cu 0.930785 0.0772658 9.97436e-19 519 63.546 0.000522969 -3.53235 63.546000 Cu 0.991121 0.0708176 0.5 521 63.546 0.00653812 -3.52144 63.546000 Cu 0.956892 0.0923886 0.5 522 63.546 0.000981508 -3.53057 63.546000 Cu 0.983023 0.107437 1 553 63.546 0.000209543 -3.53535 63.546000 Cu 0.0692708 0.116028 7.46029e-17 554 63.546 0.000954501 -3.53853 63.546000 Cu 0.00898243 0.122535 0.5 556 63.546 0.000590805 -3.53804 63.546000 Cu 0.000278785 0.159331 3.24965e-19 585 63.546 6.0363e-05 -3.53555 63.546000 Cu 0.0348301 0.137695 1 588 63.546 0.000280178 -3.53696 63.546000 Cu 0.120888 0.146427 1 589 63.546 0.000106789 -3.53318 63.546000 Cu 0.0950439 0.131246 0.5 590 63.546 0.000116537 -3.53507 63.546000 Cu 0.0606076 0.152867 0.5 591 63.546 6.08446e-05 -3.53482 63.546000 Cu 0.155259 0.124842 2.82928e-16 592 63.546 0.000447079 -3.53222 63.546000 Cu 0.241527 0.133526 1.4182e-16 593 63.546 0.000179877 -3.53458 63.546000 Cu 0.215537 0.118419 0.5 594 63.546 0.000735751 -3.53274 63.546000 Cu 0.181181 0.139992 0.5 595 63.546 0.000252263 -3.53272 63.546000 Cu 0.146695 0.161567 0.5 625 63.546 7.28415e-05 -3.53328 63.546000 Cu 0.207055 0.155107 1.24903e-16 627 63.546 0.000107103 -3.53365 63.546000 Cu 0.275884 0.111924 2.42326e-16 596 63.546 0.000123133 -3.53626 63.546000 Cu 0.362245 0.120505 1.36316e-16 597 63.546 1.3997e-05 -3.53466 63.546000 Cu 0.301913 0.127019 0.5 599 63.546 5.2123e-05 -3.53583 63.546000 Cu 0.422602 0.113993 0.5 603 63.546 0.000111496 -3.53297 63.546000 Cu 0.293297 0.163712 6.66028e-17 628 63.546 7.24201e-06 -3.53438 63.546000 Cu 0.26744 0.14862 0.5 629 63.546 4.05514e-05 -3.53452 63.546000 Cu 0.327835 0.142116 7.67744e-17 631 63.546 2.12329e-05 -3.53459 63.546000 Cu 0.414131 0.150702 1.59964e-16 632 63.546 8.13194e-05 -3.53494 63.546000 Cu 0.388231 0.135607 0.5 633 63.546 4.18974e-05 -3.53442 63.546000 Cu 0.353705 0.157208 0.5 634 63.546 1.26562e-05 -3.53426 63.546000 Cu 0.448623 0.129079 7.08574e-17 635 63.546 0.000102365 -3.53535 63.546000 Cu 0.474519 0.144192 0.5 638 63.546 0.000214869 -3.53634 63.546000 Cu 0.43992 0.165813 0.5 668 63.546 6.06056e-05 -3.53527 63.546000 Cu 0.500279 0.159331 4.6872e-17 670 63.546 6.0363e-05 -3.53555 63.546000 Cu 0.655259 0.124842 1.17418e-16 510 63.546 0.000447079 -3.53222 63.546000 Cu 0.715537 0.118419 0.5 514 63.546 0.000735751 -3.53274 63.546000 Cu 0.707055 0.155107 1.83722e-16 543 63.546 0.000107103 -3.53365 63.546000 Cu 0.681181 0.139992 0.5 544 63.546 0.000252263 -3.53272 63.546000 Cu 0.741527 0.133526 2.12692e-17 545 63.546 0.000179877 -3.53458 63.546000 Cu 0.53483 0.137695 2.82426e-16 636 63.546 0.000280178 -3.53696 63.546000 Cu 0.508982 0.122535 0.5 637 63.546 0.000590805 -3.53804 63.546000 Cu 0.569271 0.116028 1.0196e-16 639 63.546 0.000954501 -3.53853 63.546000 Cu 0.595044 0.131246 0.5 641 63.546 0.000116537 -3.53507 63.546000 Cu 0.560608 0.152867 0.5 672 63.546 6.08446e-05 -3.53482 63.546000 Cu 0.620888 0.146427 1.0088e-16 674 63.546 0.000106789 -3.53318 63.546000 Cu 0.646695 0.161567 0.5 675 63.546 7.28415e-05 -3.53328 63.546000 Cu 0.775884 0.111924 1.90298e-16 512 63.546 0.000123133 -3.53626 63.546000 Cu 0.827835 0.142116 2.01185e-16 546 63.546 2.12329e-05 -3.53459 63.546000 Cu 0.801913 0.127019 0.5 547 63.546 5.2123e-05 -3.53583 63.546000 Cu 0.76744 0.14862 0.5 548 63.546 4.05514e-05 -3.53452 63.546000 Cu 0.862245 0.120505 1.67673e-16 549 63.546 1.3997e-05 -3.53466 63.546000 Cu 0.948623 0.129079 1.89964e-17 550 63.546 0.000102365 -3.53535 63.546000 Cu 0.922602 0.113993 0.5 551 63.546 0.000111496 -3.53297 63.546000 Cu 0.888231 0.135607 0.5 552 63.546 4.18974e-05 -3.53442 63.546000 Cu 0.793297 0.163712 1.9752e-16 580 63.546 7.24201e-06 -3.53438 63.546000 Cu 0.853705 0.157208 0.5 582 63.546 1.26562e-05 -3.53426 63.546000 Cu 0.914131 0.150702 6.7867e-18 584 63.546 8.13194e-05 -3.53494 63.546000 Cu 0.974519 0.144192 0.5 586 63.546 0.000214869 -3.53634 63.546000 Cu 0.93992 0.165813 0.5 587 63.546 6.06056e-05 -3.53527 63.546000 Cu 0.0517963 0.189604 1.08801e-16 620 63.546 9.18334e-06 -3.53422 63.546000 Cu 0.0260216 0.174471 0.5 621 63.546 1.28846e-05 -3.5347 63.546000 Cu 0.0863488 0.168015 3.98223e-19 623 63.546 1.8117e-05 -3.53386 63.546000 Cu 0.172484 0.176684 7.50613e-17 624 63.546 6.53315e-05 -3.53388 63.546000 Cu 0.112125 0.183146 0.5 626 63.546 3.93364e-05 -3.53389 63.546000 Cu 0.232876 0.170208 0.5 630 63.546 4.68348e-05 -3.53434 63.546000 Cu 0.0172727 0.21119 2.98667e-19 654 63.546 3.81404e-06 -3.53459 63.546000 Cu 0.103452 0.219833 1.87841e-20 655 63.546 6.18535e-06 -3.53438 63.546000 Cu 0.0776074 0.204724 0.5 656 63.546 1.53131e-05 -3.53401 63.546000 Cu 0.137955 0.198258 9.74951e-17 658 63.546 2.59262e-05 -3.5338 63.546000 Cu 0.224186 0.206877 9.60826e-17 659 63.546 3.55057e-06 -3.53454 63.546000 Cu 0.198321 0.191784 0.5 660 63.546 2.36223e-05 -3.53403 63.546000 Cu 0.163815 0.213357 0.5 661 63.546 3.48517e-06 -3.53424 63.546000 Cu 0.250036 0.221978 0.5 695 63.546 5.91026e-06 -3.53489 63.546000 Cu 0.258715 0.185297 2.79977e-17 662 63.546 6.86484e-06 -3.53459 63.546000 Cu 0.344951 0.193901 5.44739e-19 663 63.546 2.30111e-05 -3.5352 63.546000 Cu 0.319126 0.1788 0.5 664 63.546 1.33389e-05 -3.53464 63.546000 Cu 0.284572 0.20039 0.5 665 63.546 1.21856e-05 -3.53501 63.546000 Cu 0.37953 0.172305 1 666 63.546 3.74146e-05 -3.53478 63.546000 Cu 0.465678 0.180942 3.32779e-17 667 63.546 1.49494e-05 -3.53512 63.546000 Cu 0.405324 0.187418 0.5 669 63.546 2.02061e-05 -3.53516 63.546000 Cu 0.310404 0.215495 1.26725e-16 697 63.546 9.50836e-06 -3.53511 63.546000 Cu 0.370765 0.209015 0.5 699 63.546 6.51537e-06 -3.53519 63.546000 Cu 0.431122 0.202538 1 701 63.546 4.28169e-06 -3.53504 63.546000 Cu 0.491464 0.196068 0.5 703 63.546 3.30187e-06 -3.53468 63.546000 Cu 0.456928 0.21766 0.5 704 63.546 6.4187e-07 -3.53502 63.546000 Cu 0.672484 0.176684 1.02982e-16 576 63.546 6.53315e-05 -3.53388 63.546000 Cu 0.732876 0.170208 0.5 578 63.546 4.68348e-05 -3.53434 63.546000 Cu 0.698321 0.191784 0.5 579 63.546 2.36223e-05 -3.53403 63.546000 Cu 0.663815 0.213357 0.5 610 63.546 3.48517e-06 -3.53424 63.546000 Cu 0.724186 0.206877 1.52151e-19 611 63.546 3.55057e-06 -3.53454 63.546000 Cu 0.586349 0.168015 1.68617e-16 671 63.546 1.8117e-05 -3.53386 63.546000 Cu 0.526022 0.174471 0.5 673 63.546 1.28846e-05 -3.5347 63.546000 Cu 0.517273 0.21119 1.05125e-16 702 63.546 3.81404e-06 -3.53459 63.546000 Cu 0.551796 0.189604 2.25939e-16 705 63.546 9.18334e-06 -3.53422 63.546000 Cu 0.637955 0.198258 6.40538e-17 706 63.546 2.59262e-05 -3.5338 63.546000 Cu 0.612125 0.183146 0.5 707 63.546 3.93364e-05 -3.53389 63.546000 Cu 0.577607 0.204724 0.5 708 63.546 1.53131e-05 -3.53401 63.546000 Cu 0.603452 0.219833 1 740 63.546 6.18535e-06 -3.53438 63.546000 Cu 0.758715 0.185297 4.12104e-17 577 63.546 6.86484e-06 -3.53459 63.546000 Cu 0.87953 0.172305 4.76553e-18 581 63.546 3.74146e-05 -3.53478 63.546000 Cu 0.819126 0.1788 0.5 583 63.546 1.33389e-05 -3.53464 63.546000 Cu 0.810404 0.215495 3.02405e-17 612 63.546 9.50836e-06 -3.53511 63.546000 Cu 0.784572 0.20039 0.5 613 63.546 1.21856e-05 -3.53501 63.546000 Cu 0.750036 0.221978 0.5 614 63.546 5.91026e-06 -3.53489 63.546000 Cu 0.844951 0.193901 1 615 63.546 2.30111e-05 -3.5352 63.546000 Cu 0.931122 0.202538 3.96345e-19 616 63.546 4.28169e-06 -3.53504 63.546000 Cu 0.905324 0.187418 0.5 617 63.546 2.02061e-05 -3.53516 63.546000 Cu 0.870765 0.209015 0.5 618 63.546 6.51537e-06 -3.53519 63.546000 Cu 0.965678 0.180942 1 619 63.546 1.49494e-05 -3.53512 63.546000 Cu 0.991464 0.196068 0.5 622 63.546 3.30187e-06 -3.53468 63.546000 Cu 0.956928 0.21766 0.5 652 63.546 6.4187e-07 -3.53502 63.546000 Cu 0.0430995 0.226307 0.5 657 63.546 5.72845e-06 -3.53477 63.546000 Cu 0.0344226 0.263004 1.36628e-16 686 63.546 3.63731e-07 -3.53475 63.546000 Cu 0.0085828 0.247895 0.5 687 63.546 3.33873e-06 -3.53494 63.546000 Cu 0.0689454 0.241417 4.09644e-17 689 63.546 1.40902e-06 -3.53474 63.546000 Cu 0.155145 0.250045 2.01183e-16 690 63.546 2.09634e-06 -3.53473 63.546000 Cu 0.129307 0.234938 0.5 691 63.546 1.16831e-06 -3.53463 63.546000 Cu 0.0947853 0.256524 0.5 692 63.546 8.8632e-07 -3.5347 63.546000 Cu 0.189671 0.228459 1.40208e-16 693 63.546 3.02373e-06 -3.53465 63.546000 Cu 0.215502 0.243567 0.5 696 63.546 2.50639e-06 -3.53489 63.546000 Cu 0.120616 0.271633 1.56789e-16 724 63.546 9.26221e-07 -3.5349 63.546000 Cu 0.180973 0.265157 0.5 726 63.546 8.22289e-07 -3.53491 63.546000 Cu 0.241326 0.258681 2.02658e-16 728 63.546 6.77512e-07 -3.53508 63.546000 Cu 0.275861 0.237088 4.09644e-17 694 63.546 2.90787e-06 -3.53508 63.546000 Cu 0.396578 0.224133 9.30959e-17 698 63.546 1.59759e-06 -3.53517 63.546000 Cu 0.336218 0.23061 0.5 700 63.546 2.56322e-06 -3.5352 63.546000 Cu 0.327506 0.267322 1.36714e-16 729 63.546 5.39083e-07 -3.53482 63.546000 Cu 0.301681 0.252204 0.5 730 63.546 5.40714e-07 -3.53523 63.546000 Cu 0.267154 0.273797 0.5 731 63.546 4.41195e-07 -3.53465 63.546000 Cu 0.362036 0.245729 2.21897e-16 732 63.546 4.01189e-07 -3.53531 63.546000 Cu 0.44822 0.254372 1.65084e-16 733 63.546 3.66335e-06 -3.53498 63.546000 Cu 0.422393 0.239254 0.5 734 63.546 7.17628e-07 -3.5353 63.546000 Cu 0.387861 0.260847 0.5 735 63.546 1.45003e-06 -3.53492 63.546000 Cu 0.482746 0.23278 4.09644e-17 736 63.546 3.24924e-06 -3.53515 63.546000 Cu 0.413692 0.275961 1 767 63.546 1.23319e-06 -3.53478 63.546000 Cu 0.474055 0.269483 0.5 769 63.546 8.80348e-07 -3.53477 63.546000 Cu 0.689671 0.228459 1.9607e-16 609 63.546 3.02373e-06 -3.53465 63.546000 Cu 0.655145 0.250045 4.09644e-17 642 63.546 2.09634e-06 -3.53473 63.546000 Cu 0.741326 0.258681 9.98431e-17 643 63.546 6.77512e-07 -3.53508 63.546000 Cu 0.715502 0.243567 0.5 644 63.546 2.50639e-06 -3.53489 63.546000 Cu 0.680973 0.265157 0.5 645 63.546 8.22289e-07 -3.53491 63.546000 Cu 0.568945 0.241417 1 737 63.546 1.40902e-06 -3.53474 63.546000 Cu 0.5431 0.226307 0.5 738 63.546 5.72845e-06 -3.53477 63.546000 Cu 0.508583 0.247895 0.5 739 63.546 3.33873e-06 -3.53494 63.546000 Cu 0.629307 0.234938 0.5 741 63.546 1.16831e-06 -3.53463 63.546000 Cu 0.534423 0.263004 1 771 63.546 3.63731e-07 -3.53475 63.546000 Cu 0.620616 0.271633 1 772 63.546 9.26221e-07 -3.5349 63.546000 Cu 0.594785 0.256524 0.5 773 63.546 8.8632e-07 -3.5347 63.546000 Cu 0.775861 0.237088 4.09644e-17 646 63.546 2.90787e-06 -3.53508 63.546000 Cu 0.862036 0.245729 1 647 63.546 4.01189e-07 -3.53531 63.546000 Cu 0.836218 0.23061 0.5 648 63.546 2.56322e-06 -3.5352 63.546000 Cu 0.801681 0.252204 0.5 649 63.546 5.40714e-07 -3.53523 63.546000 Cu 0.896578 0.224133 5.43931e-17 650 63.546 1.59759e-06 -3.53517 63.546000 Cu 0.982746 0.23278 1 651 63.546 3.24924e-06 -3.53515 63.546000 Cu 0.922393 0.239254 0.5 653 63.546 7.17628e-07 -3.5353 63.546000 Cu 0.767154 0.273797 0.5 679 63.546 4.41195e-07 -3.53465 63.546000 Cu 0.827506 0.267322 2.09612e-17 681 63.546 5.39083e-07 -3.53482 63.546000 Cu 0.913692 0.275961 1 682 63.546 1.23319e-06 -3.53478 63.546000 Cu 0.887861 0.260847 0.5 683 63.546 1.45003e-06 -3.53492 63.546000 Cu 0.94822 0.254372 1 685 63.546 3.66335e-06 -3.53498 63.546000 Cu 0.974055 0.269483 0.5 688 63.546 8.80348e-07 -3.53477 63.546000 Cu 0.0860874 0.29322 1.55581e-16 721 63.546 1.65728e-06 -3.53471 63.546000 Cu 0.060255 0.278112 0.5 722 63.546 3.13029e-07 -3.53496 63.546000 Cu 0.0257172 0.2997 0.5 723 63.546 1.95315e-06 -3.53491 63.546000 Cu 0.206803 0.280271 1.9947e-16 725 63.546 1.00174e-06 -3.53447 63.546000 Cu 0.14645 0.286744 0.5 727 63.546 1.87899e-06 -3.53449 63.546000 Cu 0.0515554 0.314802 1.1407e-16 755 63.546 4.0187e-06 -3.53427 63.546000 Cu 0.137777 0.323428 5.49059e-17 756 63.546 5.0886e-05 -3.53349 63.546000 Cu 0.111929 0.308324 0.5 757 63.546 7.73339e-06 -3.53402 63.546000 Cu 0.0774039 0.329897 0.5 758 63.546 3.23868e-05 -3.53361 63.546000 Cu 0.172289 0.301853 1.73471e-16 759 63.546 8.62892e-06 -3.53398 63.546000 Cu 0.232636 0.295384 0.5 761 63.546 3.89391e-06 -3.53431 63.546000 Cu 0.198125 0.316969 0.5 762 63.546 2.8201e-05 -3.53404 63.546000 Cu 0.223912 0.332106 1.22765e-16 793 63.546 3.12365e-05 -3.53472 63.546000 Cu 0.258459 0.310506 2.10431e-16 760 63.546 1.1102e-05 -3.53484 63.546000 Cu 0.292982 0.288912 1.52698e-16 763 63.546 1.58839e-06 -3.53469 63.546000 Cu 0.379157 0.297555 7.59986e-17 764 63.546 5.15586e-06 -3.53527 63.546000 Cu 0.353333 0.282438 0.5 765 63.546 1.10551e-06 -3.53481 63.546000 Cu 0.318802 0.304034 0.5 766 63.546 7.36104e-06 -3.53532 63.546000 Cu 0.499888 0.284592 3.66159e-17 768 63.546 4.88592e-07 -3.53501 63.546000 Cu 0.439521 0.291074 0.5 770 63.546 2.28356e-06 -3.53509 63.546000 Cu 0.284238 0.325641 0.5 795 63.546 3.01286e-05 -3.53551 63.546000 Cu 0.34459 0.319159 1 797 63.546 2.24217e-05 -3.53562 63.546000 Cu 0.430769 0.327779 6.70592e-19 798 63.546 1.39453e-05 -3.5348 63.546000 Cu 0.404963 0.312671 0.5 799 63.546 1.04917e-05 -3.53529 63.546000 Cu 0.465341 0.306184 1.50855e-17 801 63.546 4.50572e-06 -3.53503 63.546000 Cu 0.491166 0.321287 0.5 804 63.546 5.58033e-06 -3.53448 63.546000 Cu 0.672289 0.301853 7.2223e-17 676 63.546 8.62892e-06 -3.53398 63.546000 Cu 0.706803 0.280271 7.22512e-17 677 63.546 1.00174e-06 -3.53447 63.546000 Cu 0.732636 0.295384 0.5 680 63.546 3.89391e-06 -3.53431 63.546000 Cu 0.723912 0.332106 9.1456e-17 709 63.546 3.12365e-05 -3.53472 63.546000 Cu 0.698125 0.316969 0.5 710 63.546 2.8201e-05 -3.53404 63.546000 Cu 0.560255 0.278112 0.5 774 63.546 3.13029e-07 -3.53496 63.546000 Cu 0.551555 0.314802 1.46516e-19 802 63.546 4.0187e-06 -3.53427 63.546000 Cu 0.525717 0.2997 0.5 803 63.546 1.95315e-06 -3.53491 63.546000 Cu 0.586087 0.29322 1.16475e-16 805 63.546 1.65728e-06 -3.53471 63.546000 Cu 0.64645 0.286744 0.5 806 63.546 1.87899e-06 -3.53449 63.546000 Cu 0.611929 0.308324 0.5 807 63.546 7.73339e-06 -3.53402 63.546000 Cu 0.577404 0.329897 0.5 838 63.546 3.23868e-05 -3.53361 63.546000 Cu 0.637777 0.323428 6.52823e-17 840 63.546 5.0886e-05 -3.53349 63.546000 Cu 0.999888 0.284592 1.2396e-16 720 63.546 4.88592e-07 -3.53501 63.546000 Cu 0.792982 0.288912 1.64398e-17 678 63.546 1.58839e-06 -3.53469 63.546000 Cu 0.853333 0.282438 0.5 684 63.546 1.10551e-06 -3.53481 63.546000 Cu 0.758459 0.310506 1 712 63.546 1.1102e-05 -3.53484 63.546000 Cu 0.84459 0.319159 4.47062e-19 713 63.546 2.24217e-05 -3.53562 63.546000 Cu 0.818802 0.304034 0.5 714 63.546 7.36104e-06 -3.53532 63.546000 Cu 0.784238 0.325641 0.5 715 63.546 3.01286e-05 -3.53551 63.546000 Cu 0.879157 0.297555 1 716 63.546 5.15586e-06 -3.53527 63.546000 Cu 0.965341 0.306184 7.59197e-17 717 63.546 4.50572e-06 -3.53503 63.546000 Cu 0.939521 0.291074 0.5 718 63.546 2.28356e-06 -3.53509 63.546000 Cu 0.904963 0.312671 0.5 719 63.546 1.04917e-05 -3.53529 63.546000 Cu 0.930769 0.327779 1 751 63.546 1.39453e-05 -3.5348 63.546000 Cu 0.991166 0.321287 0.5 753 63.546 5.58033e-06 -3.53448 63.546000 Cu 0.0170103 0.33638 1.2106e-16 752 63.546 8.07938e-06 -3.53406 63.546000 Cu 0.0687452 0.36657 8.2528e-17 786 63.546 0.00044128 -3.5326 63.546000 Cu 0.0428772 0.351471 0.5 787 63.546 7.549e-05 -3.53359 63.546000 Cu 0.00834937 0.37305 0.5 788 63.546 0.000140816 -3.53404 63.546000 Cu 0.103258 0.344999 3.26843e-19 789 63.546 0.000178574 -3.53299 63.546000 Cu 0.189342 0.353714 4.30156e-19 790 63.546 4.94993e-05 -3.53457 63.546000 Cu 0.163595 0.338552 0.5 791 63.546 0.000100041 -3.53347 63.546000 Cu 0.129072 0.360135 0.5 792 63.546 0.000272679 -3.53285 63.546000 Cu 0.249631 0.347264 0.5 796 63.546 0.000120343 -3.53589 63.546000 Cu 0.0343064 0.388145 2.7731e-17 820 63.546 0.000914113 -3.53236 63.546000 Cu 0.0945919 0.381717 0.5 822 63.546 0.000754152 -3.53223 63.546000 Cu 0.154802 0.375331 5.34389e-17 824 63.546 0.000100795 -3.53457 63.546000 Cu 0.240793 0.384076 2.22661e-16 825 63.546 0.000877405 -3.53785 63.546000 Cu 0.215044 0.368904 0.5 826 63.546 0.000381346 -3.53666 63.546000 Cu 0.309979 0.340778 8.90366e-19 794 63.546 9.87231e-05 -3.53598 63.546000 Cu 0.370366 0.334278 0.5 800 63.546 4.14046e-05 -3.5354 63.546000 Cu 0.275362 0.362416 4.63629e-17 828 63.546 0.000324252 -3.53666 63.546000 Cu 0.361624 0.370993 2.06665e-16 829 63.546 2.31063e-05 -3.53474 63.546000 Cu 0.335755 0.355897 0.5 830 63.546 9.72334e-05 -3.53562 63.546000 Cu 0.3012 0.377533 0.5 831 63.546 0.000156177 -3.53576 63.546000 Cu 0.396182 0.349379 1 832 63.546 2.04294e-05 -3.53487 63.546000 Cu 0.482468 0.357964 6.76453e-17 833 63.546 1.48886e-05 -3.53445 63.546000 Cu 0.456605 0.342874 0.5 834 63.546 7.25463e-06 -3.53444 63.546000 Cu 0.422044 0.364471 0.5 835 63.546 1.70025e-05 -3.53486 63.546000 Cu 0.387554 0.386085 0.5 865 63.546 1.74792e-05 -3.53463 63.546000 Cu 0.447947 0.379564 9.67738e-17 867 63.546 2.57823e-05 -3.53528 63.546000 Cu 0.663595 0.338552 0.5 711 63.546 0.000100041 -3.53347 63.546000 Cu 0.654802 0.375331 1.04421e-17 742 63.546 0.000100795 -3.53457 63.546000 Cu 0.689342 0.353714 1.30018e-16 743 63.546 4.94993e-05 -3.53457 63.546000 Cu 0.715044 0.368904 0.5 746 63.546 0.000381346 -3.53666 63.546000 Cu 0.740793 0.384076 5.74343e-17 777 63.546 0.000877405 -3.53785 63.546000 Cu 0.51701 0.33638 1 836 63.546 8.07938e-06 -3.53406 63.546000 Cu 0.603258 0.344999 1.00213e-17 837 63.546 0.000178574 -3.53299 63.546000 Cu 0.542877 0.351471 0.5 839 63.546 7.549e-05 -3.53359 63.546000 Cu 0.534306 0.388145 5.98292e-17 868 63.546 0.000914113 -3.53236 63.546000 Cu 0.508349 0.37305 0.5 869 63.546 0.000140816 -3.53404 63.546000 Cu 0.568745 0.36657 4.72045e-17 871 63.546 0.00044128 -3.5326 63.546000 Cu 0.629072 0.360135 0.5 872 63.546 0.000272679 -3.53285 63.546000 Cu 0.594592 0.381717 0.5 873 63.546 0.000754152 -3.53223 63.546000 Cu 0.749631 0.347264 0.5 745 63.546 0.000120343 -3.53589 63.546000 Cu 0.775362 0.362416 1 744 63.546 0.000324252 -3.53666 63.546000 Cu 0.809979 0.340778 7.98249e-17 747 63.546 9.87231e-05 -3.53598 63.546000 Cu 0.896182 0.349379 1 748 63.546 2.04294e-05 -3.53487 63.546000 Cu 0.870366 0.334278 0.5 749 63.546 4.14046e-05 -3.5354 63.546000 Cu 0.835755 0.355897 0.5 750 63.546 9.72334e-05 -3.53562 63.546000 Cu 0.956605 0.342874 0.5 754 63.546 7.25463e-06 -3.53444 63.546000 Cu 0.8012 0.377533 0.5 779 63.546 0.000156177 -3.53576 63.546000 Cu 0.861624 0.370993 8.21297e-17 781 63.546 2.31063e-05 -3.53474 63.546000 Cu 0.947947 0.379564 3.45346e-17 782 63.546 2.57823e-05 -3.53528 63.546000 Cu 0.922044 0.364471 0.5 783 63.546 1.70025e-05 -3.53486 63.546000 Cu 0.887554 0.386085 0.5 784 63.546 1.74792e-05 -3.53463 63.546000 Cu 0.982468 0.357964 5.94705e-18 785 63.546 1.48886e-05 -3.53445 63.546000 Cu 8.47505e-07 0.409706 1.27108e-16 817 63.546 0.00209164 -3.53007 63.546000 Cu 0.120407 0.396957 2.40902e-16 821 63.546 0.000227013 -3.53412 63.546000 Cu 0.0603002 0.40329 0.5 823 63.546 0.00231095 -3.52891 63.546000 Cu 0.18052 0.390566 0.5 827 63.546 0.00101191 -3.53782 63.546000 Cu 0.0520119 0.440216 1 852 63.546 0.00427494 -3.52023 63.546000 Cu 0.0261611 0.424809 0.5 853 63.546 0.00974596 -3.51958 63.546000 Cu 0.0861122 0.418579 4.09644e-17 855 63.546 0.000990736 -3.53057 63.546000 Cu 0.171763 0.42752 2.36629e-16 856 63.546 0.00932801 -3.54401 63.546000 Cu 0.146111 0.412258 0.5 857 63.546 0.00260756 -3.53972 63.546000 Cu 0.111646 0.434 0.5 858 63.546 0.0079248 -3.53852 63.546000 Cu 0.206322 0.405771 6.5008e-17 859 63.546 0.00247945 -3.54046 63.546000 Cu 0.232299 0.420853 0.5 862 63.546 0.000951672 -3.53573 63.546000 Cu 0.197665 0.442523 0.5 889 63.546 0.00482256 -3.52769 63.546000 Cu 0.292841 0.414238 9.09846e-17 860 63.546 0.000534222 -3.53128 63.546000 Cu 0.26671 0.399184 0.5 861 63.546 0.000329298 -3.53602 63.546000 Cu 0.327149 0.392615 1.18903e-16 863 63.546 8.30601e-05 -3.53366 63.546000 Cu 0.413514 0.40118 1.59126e-16 864 63.546 9.75843e-05 -3.53632 63.546000 Cu 0.353188 0.407709 0.5 866 63.546 4.49412e-05 -3.53396 63.546000 Cu 0.473924 0.394644 0.5 870 63.546 0.000157742 -3.53526 63.546000 Cu 0.258581 0.435806 1.25174e-16 891 63.546 0.00532478 -3.52179 63.546000 Cu 0.318969 0.429343 0.5 893 63.546 0.00043113 -3.53227 63.546000 Cu 0.379248 0.422828 1.3889e-17 895 63.546 0.00047142 -3.53794 63.546000 Cu 0.465819 0.431248 5.93409e-17 896 63.546 0.00538279 -3.52562 63.546000 Cu 0.439575 0.416256 0.5 897 63.546 0.000321938 -3.53662 63.546000 Cu 0.405303 0.437927 0.5 898 63.546 0.00382229 -3.5426 63.546000 Cu 0.500001 0.409706 2.78136e-16 899 63.546 0.00209164 -3.53007 63.546000 Cu 0.611646 0.434 0.5 456 63.546 0.0079248 -3.53852 63.546000 Cu 0.552012 0.440216 2.33708e-16 465 63.546 0.00427494 -3.52023 63.546000 Cu 0.706322 0.405771 4.09644e-17 775 63.546 0.00247945 -3.54046 63.546000 Cu 0.68052 0.390566 0.5 776 63.546 0.00101191 -3.53782 63.546000 Cu 0.671763 0.42752 1.36427e-16 808 63.546 0.00932801 -3.54401 63.546000 Cu 0.732299 0.420853 0.5 810 63.546 0.000951672 -3.53573 63.546000 Cu 0.697665 0.442523 0.5 811 63.546 0.00482256 -3.52769 63.546000 Cu 0.586112 0.418579 1.69919e-16 900 63.546 0.000990736 -3.53057 63.546000 Cu 0.5603 0.40329 0.5 901 63.546 0.00231095 -3.52891 63.546000 Cu 0.526161 0.424809 0.5 902 63.546 0.00974596 -3.51958 63.546000 Cu 0.620407 0.396957 1.26716e-16 903 63.546 0.000227013 -3.53412 63.546000 Cu 0.646111 0.412258 0.5 904 63.546 0.00260756 -3.53972 63.546000 Cu 0.827149 0.392615 1 778 63.546 8.30601e-05 -3.53366 63.546000 Cu 0.76671 0.399184 0.5 780 63.546 0.000329298 -3.53602 63.546000 Cu 0.758581 0.435806 5.63711e-17 809 63.546 0.00532478 -3.52179 63.546000 Cu 0.792841 0.414238 9.87987e-17 812 63.546 0.000534222 -3.53128 63.546000 Cu 0.879248 0.422828 1.45633e-16 813 63.546 0.00047142 -3.53794 63.546000 Cu 0.853188 0.407709 0.5 814 63.546 4.49412e-05 -3.53396 63.546000 Cu 0.818969 0.429343 0.5 815 63.546 0.00043113 -3.53227 63.546000 Cu 0.913514 0.40118 3.66102e-17 816 63.546 9.75843e-05 -3.53632 63.546000 Cu 0.973924 0.394644 0.5 818 63.546 0.000157742 -3.53526 63.546000 Cu 0.939575 0.416256 0.5 819 63.546 0.000321938 -3.53662 63.546000 Cu 0.905303 0.437927 0.5 849 63.546 0.00382229 -3.5426 63.546000 Cu 0.965819 0.431248 1.79708e-17 851 63.546 0.00538279 -3.52562 63.546000 Cu 0.0183205 0.461903 4.09644e-17 883 63.546 0.0217363 -3.49294 63.546000 Cu 0.102616 0.471762 1 884 63.546 0.3564 -3.52123 63.546000 Cu 0.0775029 0.455866 0.5 885 63.546 0.0228701 -3.52782 63.546000 Cu 0.0437665 0.477842 0.5 886 63.546 0.400927 -3.44608 63.546000 Cu 0.137112 0.449425 1 887 63.546 0.0423085 -3.54631 63.546000 Cu 0.224471 0.457272 9.47282e-17 888 63.546 0.0495758 -3.48155 63.546000 Cu 0.163427 0.464338 0.5 890 63.546 0.0328541 -3.51128 63.546000 Cu 0.00509069 0.497967 0.5 905 63.546 11.6279 -3.03289 63.546000 Cu 0.0672961 0.497118 1 906 63.546 8.57756 -3.81173 63.546000 Cu 0.127487 0.486089 0.5 908 63.546 1.07267 -3.38804 63.546000 Cu 0.192972 0.478611 3.73484e-17 909 63.546 0.473771 -3.38384 63.546000 Cu 0.220382 0.495768 0.5 912 63.546 2.99148 -3.59208 63.546000 Cu 0.160292 0.49848 1 907 63.546 8.69366 -2.87715 63.546000 Cu 0.344918 0.4445 3.75682e-20 892 63.546 0.0030502 -3.53935 63.546000 Cu 0.250929 0.472784 0.5 911 63.546 0.0689217 -3.46374 63.546000 Cu 0.483242 0.483626 1 43 63.546 1.09042 -3.43056 63.546000 Cu 0.423866 0.487621 0.5 433 63.546 4.10569 -3.03555 63.546000 Cu 0.365155 0.496926 9.03328e-18 437 63.546 3.0479 -3.52269 63.546000 Cu 0.284527 0.450951 0.5 894 63.546 0.00371378 -3.51845 63.546000 Cu 0.279353 0.48797 4.25347e-17 910 63.546 1.23914 -3.30356 63.546000 Cu 0.310312 0.466175 4.01247e-17 913 63.546 0.0437585 -3.49772 63.546000 Cu 0.3959 0.47411 4.09644e-17 914 63.546 0.17514 -3.42484 63.546000 Cu 0.37046 0.459687 0.5 915 63.546 0.048816 -3.54362 63.546000 Cu 0.335801 0.482329 0.5 916 63.546 0.914857 -3.47222 63.546000 Cu 0.431677 0.452763 3.04753e-17 917 63.546 0.0188037 -3.52068 63.546000 Cu 0.492444 0.446239 0.5 919 63.546 0.0454377 -3.49702 63.546000 Cu 0.459135 0.467371 0.5 920 63.546 0.264255 -3.43821 63.546000 Cu 0.627487 0.486089 0.5 2 63.546 1.07267 -3.38804 63.546000 Cu 0.602616 0.471762 1.59032e-16 4 63.546 0.3564 -3.52123 63.546000 Cu 0.505091 0.497967 0.5 7 63.546 11.6279 -3.03289 63.546000 Cu 0.543766 0.477842 0.5 18 63.546 0.400927 -3.44608 63.546000 Cu 0.567296 0.497118 5.31684e-17 20 63.546 8.57756 -3.81173 63.546000 Cu 0.577503 0.455866 0.5 455 63.546 0.0228701 -3.52782 63.546000 Cu 0.637112 0.449425 4.09644e-17 459 63.546 0.0423085 -3.54631 63.546000 Cu 0.692972 0.478611 1 841 63.546 0.473771 -3.38384 63.546000 Cu 0.663427 0.464338 0.5 842 63.546 0.0328541 -3.51128 63.546000 Cu 0.724471 0.457272 1 843 63.546 0.0495758 -3.48155 63.546000 Cu 0.720382 0.495768 0.5 875 63.546 2.99148 -3.59208 63.546000 Cu 0.51832 0.461903 5.90816e-17 918 63.546 0.0217363 -3.49294 63.546000 Cu 0.660292 0.49848 1 874 63.546 8.69366 -2.87715 63.546000 Cu 0.844918 0.4445 6.05618e-17 847 63.546 0.0030502 -3.53935 63.546000 Cu 0.810312 0.466175 1 844 63.546 0.0437585 -3.49772 63.546000 Cu 0.784527 0.450951 0.5 845 63.546 0.00371378 -3.51845 63.546000 Cu 0.750929 0.472784 0.5 846 63.546 0.0689217 -3.46374 63.546000 Cu 0.931677 0.452763 7.7259e-18 848 63.546 0.0188037 -3.52068 63.546000 Cu 0.87046 0.459687 0.5 850 63.546 0.048816 -3.54362 63.546000 Cu 0.992444 0.446239 0.5 854 63.546 0.0454377 -3.49702 63.546000 Cu 0.779353 0.48797 1 876 63.546 1.23914 -3.30356 63.546000 Cu 0.865155 0.496926 1.64254e-16 877 63.546 3.0479 -3.52269 63.546000 Cu 0.835801 0.482329 0.5 878 63.546 0.914857 -3.47222 63.546000 Cu 0.8959 0.47411 1 879 63.546 0.17514 -3.42484 63.546000 Cu 0.983242 0.483626 1 880 63.546 1.09042 -3.43056 63.546000 Cu 0.959135 0.467371 0.5 881 63.546 0.264255 -3.43821 63.546000 Cu 0.923866 0.487621 0.5 882 63.546 4.10569 -3.03555 63.546000 Cu 0.0858015 0.524136 4.09644e-17 8 63.546 0.914856 -3.47222 63.546000 Cu 0.115155 0.509539 0.5 9 63.546 3.0479 -3.5227 63.546000 Cu 0.0293529 0.518495 0.5 10 63.546 1.23914 -3.30356 63.546000 Cu 0.173866 0.518844 1 11 63.546 4.10569 -3.03555 63.546000 Cu 0.209135 0.539094 4.09644e-17 12 63.546 0.264256 -3.4382 63.546000 Cu 0.233242 0.522839 0.5 13 63.546 1.09043 -3.43057 63.546000 Cu 0.1459 0.532356 0.5 14 63.546 0.175142 -3.42484 63.546000 Cu 0.0603117 0.54029 0.5 32 63.546 0.0437601 -3.49771 63.546000 Cu 0.12046 0.546779 1 34 63.546 0.0488146 -3.5436 63.546000 Cu 0.181677 0.553702 0.5 36 63.546 0.0188038 -3.52066 63.546000 Cu 0.000929443 0.533681 1 30 63.546 0.0689227 -3.46374 63.546000 Cu 0.034527 0.555514 4.09644e-17 31 63.546 0.00371254 -3.51842 63.546000 Cu 0.255091 0.508499 1 1 63.546 11.6279 -3.03289 63.546000 Cu 0.317296 0.509347 0.5 3 63.546 8.57757 -3.81173 63.546000 Cu 0.293766 0.528623 3.89996e-17 15 63.546 0.40093 -3.44608 63.546000 Cu 0.327503 0.550599 8.19344e-17 16 63.546 0.0228695 -3.52781 63.546000 Cu 0.26832 0.544562 0.5 17 63.546 0.0217362 -3.49292 63.546000 Cu 0.377487 0.520376 1 44 63.546 1.07267 -3.38804 63.546000 Cu 0.410292 0.507985 0.5 45 63.546 8.69366 -2.87715 63.546000 Cu 0.470382 0.510698 1 46 63.546 2.99148 -3.59208 63.546000 Cu 0.442972 0.527854 0.5 49 63.546 0.473772 -3.38384 63.546000 Cu 0.352616 0.534703 0.5 76 63.546 0.356398 -3.52122 63.546000 Cu 0.413427 0.542127 7.47401e-17 77 63.546 0.0328529 -3.51126 63.546000 Cu 0.474471 0.549193 0.5 79 63.546 0.0495758 -3.48153 63.546000 Cu 0.500929 0.533681 4.09644e-17 47 63.546 0.0689227 -3.46374 63.546000 Cu 0.673866 0.518844 5.87942e-19 19 63.546 4.10569 -3.03555 63.546000 Cu 0.615155 0.509539 0.5 21 63.546 3.0479 -3.5227 63.546000 Cu 0.733242 0.522839 0.5 25 63.546 1.09043 -3.43057 63.546000 Cu 0.529353 0.518495 0.5 48 63.546 1.23914 -3.30356 63.546000 Cu 0.585801 0.524136 1 50 63.546 0.914856 -3.47222 63.546000 Cu 0.62046 0.546779 2.66734e-19 51 63.546 0.0488146 -3.5436 63.546000 Cu 0.6459 0.532356 0.5 52 63.546 0.175142 -3.42484 63.546000 Cu 0.560312 0.54029 0.5 53 63.546 0.0437601 -3.49771 63.546000 Cu 0.709135 0.539094 1.10732e-17 54 63.546 0.264256 -3.4382 63.546000 Cu 0.681677 0.553702 0.5 57 63.546 0.0188038 -3.52066 63.546000 Cu 0.534527 0.555514 1.04081e-16 81 63.546 0.00371254 -3.51842 63.546000 Cu 0.970382 0.510698 1 5 63.546 2.99148 -3.59208 63.546000 Cu 0.910292 0.507985 0.5 6 63.546 8.69366 -2.87715 63.546000 Cu 0.755091 0.508499 1 22 63.546 11.6279 -3.03289 63.546000 Cu 0.793766 0.528623 4.09644e-17 23 63.546 0.40093 -3.44608 63.546000 Cu 0.817296 0.509347 0.5 24 63.546 8.57757 -3.81173 63.546000 Cu 0.877487 0.520376 1 26 63.546 1.07267 -3.38804 63.546000 Cu 0.913427 0.542127 4.09644e-17 27 63.546 0.0328529 -3.51126 63.546000 Cu 0.942972 0.527854 0.5 28 63.546 0.473772 -3.38384 63.546000 Cu 0.852616 0.534703 0.5 29 63.546 0.356398 -3.52122 63.546000 Cu 0.974471 0.549193 0.5 33 63.546 0.0495758 -3.48153 63.546000 Cu 0.76832 0.544562 0.5 56 63.546 0.0217362 -3.49292 63.546000 Cu 0.827503 0.550599 4.91411e-17 58 63.546 0.0228695 -3.52781 63.546000 Cu 0.155303 0.568538 1.3038e-16 35 63.546 0.00382583 -3.54259 63.546000 Cu 0.0949184 0.561965 0.5 37 63.546 0.00305037 -3.53933 63.546000 Cu 0.242444 0.560226 1 38 63.546 0.0454331 -3.497 63.546000 Cu 0.215819 0.575217 0.5 41 63.546 0.00538109 -3.52564 63.546000 Cu 0.00858139 0.570659 0.5 64 63.546 0.00532179 -3.52179 63.546000 Cu 0.0689691 0.577122 5.97579e-17 66 63.546 0.000430316 -3.5323 63.546000 Cu 0.103189 0.598756 3.20344e-17 67 63.546 4.558e-05 -3.5341 63.546000 Cu 0.129248 0.583637 0.5 68 63.546 0.000472189 -3.53801 63.546000 Cu 0.0428412 0.592228 0.5 69 63.546 0.000533961 -3.53139 63.546000 Cu 0.189576 0.590209 1 70 63.546 0.000322119 -3.53673 63.546000 Cu 0.163515 0.605286 0.5 73 63.546 9.69945e-05 -3.53644 63.546000 Cu 0.0167104 0.607282 4.09644e-17 97 63.546 0.000325477 -3.53613 63.546000 Cu 0.250001 0.59676 0.5 72 63.546 0.00209308 -3.5302 63.546000 Cu 0.276161 0.581656 1.33442e-17 39 63.546 0.0097399 -3.51964 63.546000 Cu 0.302012 0.566249 0.5 40 63.546 0.00427075 -3.52022 63.546000 Cu 0.336113 0.587887 0.5 42 63.546 0.000989489 -3.53066 63.546000 Cu 0.310301 0.603176 4.05962e-17 74 63.546 0.00231819 -3.52904 63.546000 Cu 0.447665 0.563942 6.16682e-17 78 63.546 0.00482382 -3.52768 63.546000 Cu 0.387112 0.55704 0.5 80 63.546 0.0423102 -3.54629 63.546000 Cu 0.361646 0.572465 1.41679e-16 109 63.546 0.00792649 -3.53853 63.546000 Cu 0.396112 0.594207 1.27424e-16 110 63.546 0.0026079 -3.53984 63.546000 Cu 0.421763 0.578945 0.5 111 63.546 0.0093346 -3.54405 63.546000 Cu 0.4823 0.585612 1.34964e-17 112 63.546 0.000953583 -3.53581 63.546000 Cu 0.456323 0.600695 0.5 115 63.546 0.00247506 -3.54059 63.546000 Cu 0.370408 0.609509 0.5 143 63.546 0.000231033 -3.53421 63.546000 Cu 0.742444 0.560226 1 55 63.546 0.0454331 -3.497 63.546000 Cu 0.568969 0.577122 4.09644e-17 82 63.546 0.000430316 -3.5323 63.546000 Cu 0.594918 0.561965 0.5 83 63.546 0.00305037 -3.53933 63.546000 Cu 0.508581 0.570659 0.5 84 63.546 0.00532179 -3.52179 63.546000 Cu 0.655303 0.568538 6.24252e-17 85 63.546 0.00382583 -3.54259 63.546000 Cu 0.689576 0.590209 7.09476e-18 86 63.546 0.000322119 -3.53673 63.546000 Cu 0.715819 0.575217 0.5 87 63.546 0.00538109 -3.52564 63.546000 Cu 0.629248 0.583637 0.5 88 63.546 0.000472189 -3.53801 63.546000 Cu 0.51671 0.607282 1 113 63.546 0.000325477 -3.53613 63.546000 Cu 0.542841 0.592228 0.5 114 63.546 0.000533961 -3.53139 63.546000 Cu 0.603189 0.598756 1.92607e-16 116 63.546 4.558e-05 -3.5341 63.546000 Cu 0.663515 0.605286 0.5 118 63.546 9.69945e-05 -3.53644 63.546000 Cu 0.750001 0.59676 0.5 92 63.546 0.00209308 -3.5302 63.546000 Cu 0.861646 0.572465 1 59 63.546 0.00792649 -3.53853 63.546000 Cu 0.887112 0.55704 0.5 60 63.546 0.0423102 -3.54629 63.546000 Cu 0.802012 0.566249 0.5 61 63.546 0.00427075 -3.52022 63.546000 Cu 0.947665 0.563942 1 62 63.546 0.00482382 -3.52768 63.546000 Cu 0.9823 0.585612 1 63 63.546 0.000953583 -3.53581 63.546000 Cu 0.921763 0.578945 0.5 65 63.546 0.0093346 -3.54405 63.546000 Cu 0.776161 0.581656 1.16461e-19 89 63.546 0.0097399 -3.51964 63.546000 Cu 0.810301 0.603176 1.30155e-17 90 63.546 0.00231819 -3.52904 63.546000 Cu 0.836113 0.587887 0.5 91 63.546 0.000989489 -3.53066 63.546000 Cu 0.896112 0.594207 1.76571e-19 93 63.546 0.0026079 -3.53984 63.546000 Cu 0.956323 0.600695 0.5 95 63.546 0.00247506 -3.54059 63.546000 Cu 0.870408 0.609509 0.5 96 63.546 0.000231033 -3.53421 63.546000 Cu 0.223925 0.611822 1.14741e-16 71 63.546 0.000159139 -3.53533 63.546000 Cu 0.0511985 0.628931 1.83389e-17 98 63.546 0.000153071 -3.53556 63.546000 Cu 0.0771495 0.613851 0.5 99 63.546 8.43946e-05 -3.53371 63.546000 Cu 0.137554 0.620381 4.09644e-17 101 63.546 1.86672e-05 -3.53459 63.546000 Cu 0.17204 0.641991 5.10984e-17 102 63.546 1.6837e-05 -3.53449 63.546000 Cu 0.197945 0.626901 0.5 103 63.546 2.59716e-05 -3.53512 63.546000 Cu 0.111622 0.63547 0.5 104 63.546 2.33855e-05 -3.53443 63.546000 Cu 0.232463 0.648496 0.5 108 63.546 1.37161e-05 -3.53406 63.546000 Cu 0.0253581 0.644045 0.5 130 63.546 0.000327524 -3.53628 63.546000 Cu 0.0857509 0.650563 5.7532e-17 132 63.546 0.000101151 -3.53523 63.546000 Cu 0.146177 0.657079 0.5 134 63.546 2.16878e-05 -3.53449 63.546000 Cu 0.0599742 0.66568 0.5 135 63.546 0.000105668 -3.53571 63.546000 Cu 0.2066 0.663584 3.54287e-17 136 63.546 7.53058e-06 -3.5341 63.546000 Cu 0.284306 0.618321 0.5 75 63.546 0.000922323 -3.53234 63.546000 Cu 0.258347 0.633413 4.09644e-17 105 63.546 0.000142806 -3.53376 63.546000 Cu 0.292872 0.654988 3.61951e-17 106 63.546 7.21716e-05 -3.53324 63.546000 Cu 0.318742 0.639892 0.5 107 63.546 0.000439981 -3.53225 63.546000 Cu 0.344591 0.624748 1.57693e-17 142 63.546 0.000764824 -3.53209 63.546000 Cu 0.43052 0.6159 7.7708e-17 144 63.546 0.00100523 -3.53783 63.546000 Cu 0.465041 0.637558 7.95319e-18 145 63.546 0.000380706 -3.53633 63.546000 Cu 0.490792 0.622389 0.5 146 63.546 0.000868295 -3.53776 63.546000 Cu 0.4048 0.631133 0.5 147 63.546 0.000102976 -3.53433 63.546000 Cu 0.379068 0.646325 6.23012e-17 176 63.546 0.000265756 -3.53249 63.546000 Cu 0.439338 0.652746 0.5 178 63.546 4.51427e-05 -3.53424 63.546000 Cu 0.353254 0.66146 0.5 179 63.546 0.000170252 -3.53271 63.546000 Cu 0.499626 0.659195 1.13182e-16 180 63.546 0.000123964 -3.5356 63.546000 Cu 0.637554 0.620381 1.16505e-16 117 63.546 1.86672e-05 -3.53459 63.546000 Cu 0.577149 0.613851 0.5 119 63.546 8.43946e-05 -3.53371 63.546000 Cu 0.723925 0.611822 3.75344e-17 120 63.546 0.000159139 -3.53533 63.546000 Cu 0.697945 0.626901 0.5 123 63.546 2.59716e-05 -3.53512 63.546000 Cu 0.551199 0.628931 1.42134e-16 148 63.546 0.000153071 -3.53556 63.546000 Cu 0.585751 0.650563 1.41912e-16 149 63.546 0.000101151 -3.53523 63.546000 Cu 0.611622 0.63547 0.5 150 63.546 2.33855e-05 -3.53443 63.546000 Cu 0.525358 0.644045 0.5 151 63.546 0.000327524 -3.53628 63.546000 Cu 0.67204 0.641991 1.61547e-16 152 63.546 1.6837e-05 -3.53449 63.546000 Cu 0.7066 0.663584 2.05665e-16 153 63.546 7.53058e-06 -3.5341 63.546000 Cu 0.732463 0.648496 0.5 154 63.546 1.37161e-05 -3.53406 63.546000 Cu 0.646177 0.657079 0.5 155 63.546 2.16878e-05 -3.53449 63.546000 Cu 0.559974 0.66568 0.5 182 63.546 0.000105668 -3.53571 63.546000 Cu 0.93052 0.6159 2.74511e-17 94 63.546 0.00100523 -3.53783 63.546000 Cu 0.990792 0.622389 0.5 100 63.546 0.000868295 -3.53776 63.546000 Cu 0.758347 0.633413 1.17489e-16 121 63.546 0.000142806 -3.53376 63.546000 Cu 0.784306 0.618321 0.5 122 63.546 0.000922323 -3.53234 63.546000 Cu 0.844591 0.624748 5.68839e-17 124 63.546 0.000764824 -3.53209 63.546000 Cu 0.879068 0.646325 4.09644e-17 125 63.546 0.000265756 -3.53249 63.546000 Cu 0.9048 0.631133 0.5 126 63.546 0.000102976 -3.53433 63.546000 Cu 0.818742 0.639892 0.5 127 63.546 0.000439981 -3.53225 63.546000 Cu 0.965041 0.637558 8.00071e-17 128 63.546 0.000380706 -3.53633 63.546000 Cu 0.999626 0.659195 6.81036e-17 129 63.546 0.000123964 -3.5356 63.546000 Cu 0.939338 0.652746 0.5 131 63.546 4.51427e-05 -3.53424 63.546000 Cu 0.792872 0.654988 2.55494e-16 156 63.546 7.21716e-05 -3.53324 63.546000 Cu 0.853254 0.66146 0.5 158 63.546 0.000170252 -3.53271 63.546000 Cu 0.120362 0.672181 5.86609e-17 133 63.546 4.83247e-05 -3.53513 63.546000 Cu 0.241168 0.685176 4.09644e-17 137 63.546 1.1684e-05 -3.53424 63.546000 Cu 0.180767 0.678682 0.5 139 63.546 1.92282e-05 -3.53453 63.546000 Cu 0.0342372 0.680821 9.17059e-17 164 63.546 2.84379e-05 -3.5352 63.546000 Cu 0.0688184 0.702442 5.25636e-17 165 63.546 7.52526e-06 -3.53502 63.546000 Cu 0.0945918 0.687306 0.5 166 63.546 2.43306e-05 -3.53526 63.546000 Cu 0.00847033 0.695965 0.5 167 63.546 7.52027e-06 -3.53449 63.546000 Cu 0.154969 0.693797 1.37124e-19 168 63.546 1.47054e-05 -3.53497 63.546000 Cu 0.189556 0.715418 1.1025e-16 169 63.546 7.12116e-06 -3.53517 63.546000 Cu 0.215354 0.700289 0.5 170 63.546 1.19935e-05 -3.53485 63.546000 Cu 0.129181 0.708928 0.5 171 63.546 8.98721e-06 -3.53514 63.546000 Cu 0.249936 0.72191 0.5 175 63.546 4.88906e-06 -3.53516 63.546000 Cu 0.0430225 0.717585 0.5 198 63.546 3.74718e-06 -3.53498 63.546000 Cu 0.267007 0.670079 0.5 138 63.546 8.17734e-06 -3.53377 63.546000 Cu 0.327403 0.676564 6.38659e-20 140 63.546 3.14654e-05 -3.53336 63.546000 Cu 0.301564 0.691666 0.5 141 63.546 1.01136e-05 -3.53412 63.546000 Cu 0.275741 0.706781 3.74931e-17 172 63.546 9.57425e-06 -3.5349 63.546000 Cu 0.336123 0.713271 0.5 174 63.546 7.46031e-06 -3.53484 63.546000 Cu 0.413591 0.667908 1.53571e-16 177 63.546 9.09096e-05 -3.53324 63.546000 Cu 0.47391 0.674355 0.5 183 63.546 2.45183e-05 -3.53448 63.546000 Cu 0.361946 0.69815 2.05945e-16 209 63.546 1.38595e-05 -3.53398 63.546000 Cu 0.38778 0.683036 0.5 210 63.546 4.80862e-05 -3.53325 63.546000 Cu 0.448132 0.689499 1.63162e-16 211 63.546 2.33576e-05 -3.53374 63.546000 Cu 0.482668 0.711104 1.17404e-16 212 63.546 6.79549e-06 -3.53445 63.546000 Cu 0.422314 0.704628 0.5 214 63.546 1.29476e-05 -3.53403 63.546000 Cu 0.396498 0.719758 2.0166e-16 242 63.546 6.98319e-06 -3.53474 63.546000 Cu 0.534237 0.680821 1.16794e-16 181 63.546 2.84379e-05 -3.5352 63.546000 Cu 0.620362 0.672181 6.07309e-17 184 63.546 4.83247e-05 -3.53513 63.546000 Cu 0.654969 0.693797 1.24015e-16 185 63.546 1.47054e-05 -3.53497 63.546000 Cu 0.680767 0.678682 0.5 186 63.546 1.92282e-05 -3.53453 63.546000 Cu 0.594592 0.687306 0.5 187 63.546 2.43306e-05 -3.53526 63.546000 Cu 0.741168 0.685176 8.99326e-17 188 63.546 1.1684e-05 -3.53424 63.546000 Cu 0.715354 0.700289 0.5 191 63.546 1.19935e-05 -3.53485 63.546000 Cu 0.50847 0.695965 0.5 213 63.546 7.52027e-06 -3.53449 63.546000 Cu 0.568818 0.702442 1.91237e-16 215 63.546 7.52526e-06 -3.53502 63.546000 Cu 0.629181 0.708928 0.5 217 63.546 8.98721e-06 -3.53514 63.546000 Cu 0.543023 0.717585 0.5 218 63.546 3.74718e-06 -3.53498 63.546000 Cu 0.689556 0.715418 2.97057e-16 219 63.546 7.12116e-06 -3.53517 63.546000 Cu 0.749936 0.72191 0.5 221 63.546 4.88906e-06 -3.53516 63.546000 Cu 0.827403 0.676564 1.95751e-16 157 63.546 3.14654e-05 -3.53336 63.546000 Cu 0.767007 0.670079 0.5 159 63.546 8.17734e-06 -3.53377 63.546000 Cu 0.913591 0.667908 9.06934e-17 160 63.546 9.09096e-05 -3.53324 63.546000 Cu 0.948132 0.689499 1.56455e-16 161 63.546 2.33576e-05 -3.53374 63.546000 Cu 0.97391 0.674355 0.5 162 63.546 2.45183e-05 -3.53448 63.546000 Cu 0.88778 0.683036 0.5 163 63.546 4.80862e-05 -3.53325 63.546000 Cu 0.775741 0.706781 1.95249e-16 189 63.546 9.57425e-06 -3.5349 63.546000 Cu 0.801564 0.691666 0.5 190 63.546 1.01136e-05 -3.53412 63.546000 Cu 0.861946 0.69815 1.07507e-16 192 63.546 1.38595e-05 -3.53398 63.546000 Cu 0.896498 0.719758 2.58479e-16 193 63.546 6.98319e-06 -3.53474 63.546000 Cu 0.922314 0.704628 0.5 194 63.546 1.29476e-05 -3.53403 63.546000 Cu 0.836123 0.713271 0.5 195 63.546 7.46031e-06 -3.53484 63.546000 Cu 0.982668 0.711104 1.43527e-16 196 63.546 6.79549e-06 -3.53445 63.546000 Cu 0.0172271 0.73273 2.07797e-16 197 63.546 4.44766e-06 -3.53516 63.546000 Cu 0.103385 0.72407 1.03205e-16 200 63.546 4.39972e-06 -3.53528 63.546000 Cu 0.137965 0.745708 1.47096e-16 201 63.546 3.61752e-06 -3.53571 63.546000 Cu 0.163758 0.730558 0.5 202 63.546 5.08068e-06 -3.53536 63.546000 Cu 0.0775938 0.739219 0.5 203 63.546 3.59757e-06 -3.53552 63.546000 Cu 0.224135 0.737049 1 204 63.546 4.29006e-06 -3.53525 63.546000 Cu 0.198338 0.752197 0.5 207 63.546 5.38599e-06 -3.53564 63.546000 Cu 0.0518169 0.754372 2.47943e-16 231 63.546 3.99882e-06 -3.53585 63.546000 Cu 0.0864228 0.77602 1.36296e-16 232 63.546 2.63022e-05 -3.53569 63.546000 Cu 0.112191 0.760865 0.5 233 63.546 2.45324e-06 -3.53611 63.546000 Cu 0.0260387 0.769521 0.5 234 63.546 1.35534e-05 -3.53572 63.546000 Cu 0.17256 0.767355 8.7162e-17 235 63.546 2.193e-06 -3.53593 63.546000 Cu 0.232916 0.77384 0.5 237 63.546 4.37125e-06 -3.53543 63.546000 Cu 0.310316 0.728402 8.59129e-17 173 63.546 2.05189e-06 -3.53502 63.546000 Cu 0.258709 0.758686 6.25511e-19 205 63.546 6.15762e-06 -3.53531 63.546000 Cu 0.284514 0.74354 0.5 206 63.546 2.85488e-06 -3.53498 63.546000 Cu 0.319077 0.765173 0.5 208 63.546 5.95765e-06 -3.53499 63.546000 Cu 0.431067 0.741385 2.09794e-16 243 63.546 2.49418e-06 -3.53493 63.546000 Cu 0.456863 0.726244 0.5 244 63.546 5.8837e-06 -3.53482 63.546000 Cu 0.370693 0.734894 0.5 245 63.546 1.07159e-06 -3.53486 63.546000 Cu 0.49144 0.747878 0.5 249 63.546 3.90487e-06 -3.53535 63.546000 Cu 0.344889 0.750032 1.41788e-16 275 63.546 1.42653e-06 -3.53478 63.546000 Cu 0.379451 0.771663 2.13083e-16 276 63.546 5.4792e-06 -3.53499 63.546000 Cu 0.405268 0.756525 0.5 277 63.546 1.13527e-06 -3.53491 63.546000 Cu 0.46565 0.763022 1.51182e-16 278 63.546 4.38008e-06 -3.53535 63.546000 Cu 0.603385 0.72407 7.69096e-17 216 63.546 4.39972e-06 -3.53528 63.546000 Cu 0.724135 0.737049 1.98572e-16 220 63.546 4.29006e-06 -3.53525 63.546000 Cu 0.663758 0.730558 0.5 222 63.546 5.08068e-06 -3.53536 63.546000 Cu 0.517227 0.73273 1.19258e-16 246 63.546 4.44766e-06 -3.53516 63.546000 Cu 0.551817 0.754372 1.79456e-16 247 63.546 3.99882e-06 -3.53585 63.546000 Cu 0.577594 0.739219 0.5 248 63.546 3.59757e-06 -3.53552 63.546000 Cu 0.637965 0.745708 1.77908e-16 250 63.546 3.61752e-06 -3.53571 63.546000 Cu 0.67256 0.767355 1.27837e-16 251 63.546 2.193e-06 -3.53593 63.546000 Cu 0.698338 0.752197 0.5 252 63.546 5.38599e-06 -3.53564 63.546000 Cu 0.612191 0.760865 0.5 253 63.546 2.45324e-06 -3.53611 63.546000 Cu 0.732916 0.77384 0.5 257 63.546 4.37125e-06 -3.53543 63.546000 Cu 0.526039 0.769521 0.5 280 63.546 1.35534e-05 -3.53572 63.546000 Cu 0.586423 0.77602 1.61579e-16 282 63.546 2.63022e-05 -3.53569 63.546000 Cu 0.956863 0.726244 0.5 199 63.546 5.8837e-06 -3.53482 63.546000 Cu 0.810316 0.728402 2.64345e-16 223 63.546 2.05189e-06 -3.53502 63.546000 Cu 0.844889 0.750032 1.73667e-16 224 63.546 1.42653e-06 -3.53478 63.546000 Cu 0.870693 0.734894 0.5 225 63.546 1.07159e-06 -3.53486 63.546000 Cu 0.784514 0.74354 0.5 226 63.546 2.85488e-06 -3.53498 63.546000 Cu 0.931067 0.741385 2.58563e-16 227 63.546 2.49418e-06 -3.53493 63.546000 Cu 0.96565 0.763022 2.1887e-16 228 63.546 4.38008e-06 -3.53535 63.546000 Cu 0.99144 0.747878 0.5 229 63.546 3.90487e-06 -3.53535 63.546000 Cu 0.905268 0.756525 0.5 230 63.546 1.13527e-06 -3.53491 63.546000 Cu 0.758709 0.758686 5.58902e-17 254 63.546 6.15762e-06 -3.53531 63.546000 Cu 0.819077 0.765173 0.5 256 63.546 5.95765e-06 -3.53499 63.546000 Cu 0.879451 0.771663 1.21417e-16 258 63.546 5.4792e-06 -3.53499 63.546000 Cu 0.207151 0.788997 1.08456e-16 236 63.546 1.26363e-05 -3.53498 63.546000 Cu 0.146796 0.782513 0.5 238 63.546 2.77739e-05 -3.53534 63.546000 Cu 0.0347852 0.80627 4.91599e-17 263 63.546 4.20894e-06 -3.53399 63.546000 Cu 0.0606269 0.791156 0.5 264 63.546 3.24146e-05 -3.53443 63.546000 Cu 0.121012 0.797651 4.32034e-20 266 63.546 4.22116e-05 -3.53423 63.546000 Cu 0.155576 0.819266 1.01013e-16 267 63.546 3.10281e-05 -3.53532 63.546000 Cu 0.181388 0.804142 0.5 268 63.546 5.05168e-05 -3.53456 63.546000 Cu 0.095178 0.812766 0.5 269 63.546 7.26842e-06 -3.53428 63.546000 Cu 0.24174 0.810625 8.27327e-17 270 63.546 3.02802e-05 -3.53501 63.546000 Cu 0.215956 0.825766 0.5 273 63.546 6.95252e-05 -3.5359 63.546000 Cu 0.00891942 0.82138 0.5 296 63.546 2.07957e-05 -3.5346 63.546000 Cu 0.069306 0.827873 1.19429e-17 298 63.546 2.01327e-05 -3.53493 63.546000 Cu 0.000231101 0.784656 4.03483e-17 262 63.546 1.53385e-05 -3.53489 63.546000 Cu 0.293271 0.780321 6.55058e-17 239 63.546 1.01506e-05 -3.53497 63.546000 Cu 0.327834 0.801945 5.74794e-19 240 63.546 1.57469e-05 -3.53472 63.546000 Cu 0.267494 0.795474 0.5 241 63.546 3.42407e-06 -3.53476 63.546000 Cu 0.276306 0.832248 1 271 63.546 6.22513e-05 -3.53501 63.546000 Cu 0.302076 0.817098 0.5 272 63.546 1.03655e-05 -3.5348 63.546000 Cu 0.439837 0.778157 0.5 281 63.546 5.67339e-06 -3.53505 63.546000 Cu 0.353629 0.786802 0.5 308 63.546 1.74345e-05 -3.53482 63.546000 Cu 0.414005 0.793286 1.28115e-16 309 63.546 1.63509e-05 -3.5347 63.546000 Cu 0.448547 0.814896 2.10688e-16 310 63.546 2.74945e-05 -3.53456 63.546000 Cu 0.47439 0.799776 0.5 311 63.546 1.01941e-05 -3.53438 63.546000 Cu 0.388187 0.808418 0.5 312 63.546 2.88211e-05 -3.53466 63.546000 Cu 0.362399 0.823559 1.59374e-16 341 63.546 1.82494e-05 -3.53421 63.546000 Cu 0.422737 0.830022 0.5 343 63.546 3.05996e-05 -3.53423 63.546000 Cu 0.500231 0.784656 1.42725e-16 279 63.546 1.53385e-05 -3.53489 63.546000 Cu 0.621012 0.797651 6.68282e-17 283 63.546 4.22116e-05 -3.53423 63.546000 Cu 0.646796 0.782513 0.5 284 63.546 2.77739e-05 -3.53534 63.546000 Cu 0.560627 0.791156 0.5 285 63.546 3.24146e-05 -3.53443 63.546000 Cu 0.707151 0.788997 6.85695e-17 286 63.546 1.26363e-05 -3.53498 63.546000 Cu 0.74174 0.810625 1.16948e-16 287 63.546 3.02802e-05 -3.53501 63.546000 Cu 0.681388 0.804142 0.5 289 63.546 5.05168e-05 -3.53456 63.546000 Cu 0.534785 0.80627 1.60811e-16 313 63.546 4.20894e-06 -3.53399 63.546000 Cu 0.569306 0.827873 1.6907e-16 314 63.546 2.01327e-05 -3.53493 63.546000 Cu 0.595178 0.812766 0.5 315 63.546 7.26842e-06 -3.53428 63.546000 Cu 0.508919 0.82138 0.5 316 63.546 2.07957e-05 -3.5346 63.546000 Cu 0.655576 0.819266 5.58527e-17 317 63.546 3.10281e-05 -3.53532 63.546000 Cu 0.715956 0.825766 0.5 319 63.546 6.95252e-05 -3.5359 63.546000 Cu 0.793271 0.780321 4.09644e-17 255 63.546 1.01506e-05 -3.53497 63.546000 Cu 0.914005 0.793286 4.72646e-17 259 63.546 1.63509e-05 -3.5347 63.546000 Cu 0.939837 0.778157 0.5 260 63.546 5.67339e-06 -3.53505 63.546000 Cu 0.853629 0.786802 0.5 261 63.546 1.74345e-05 -3.53482 63.546000 Cu 0.97439 0.799776 0.5 265 63.546 1.01941e-05 -3.53438 63.546000 Cu 0.767494 0.795474 0.5 288 63.546 3.42407e-06 -3.53476 63.546000 Cu 0.827834 0.801945 1.53701e-16 290 63.546 1.57469e-05 -3.53472 63.546000 Cu 0.862399 0.823559 1.75853e-16 291 63.546 1.82494e-05 -3.53421 63.546000 Cu 0.888187 0.808418 0.5 292 63.546 2.88211e-05 -3.53466 63.546000 Cu 0.802076 0.817098 0.5 293 63.546 1.03655e-05 -3.5348 63.546000 Cu 0.948547 0.814896 4.09644e-17 294 63.546 2.74945e-05 -3.53456 63.546000 Cu 0.922737 0.830022 0.5 297 63.546 3.05996e-05 -3.53423 63.546000 Cu 0.776306 0.832248 4.09644e-17 321 63.546 6.22513e-05 -3.53501 63.546000 Cu 0.103916 0.849478 1.13986e-16 299 63.546 0.00013027 -3.53491 63.546000 Cu 0.129716 0.834378 0.5 300 63.546 2.75997e-05 -3.53563 63.546000 Cu 0.0434827 0.842983 0.5 301 63.546 9.14843e-05 -3.53498 63.546000 Cu 0.190136 0.840888 2.9275e-17 302 63.546 8.42982e-05 -3.53594 63.546000 Cu 0.224885 0.862513 8.92207e-17 303 63.546 0.000228099 -3.53529 63.546000 Cu 0.164406 0.855992 0.5 305 63.546 8.51013e-05 -3.53492 63.546000 Cu 0.0178015 0.858098 1.63112e-16 329 63.546 4.26424e-05 -3.53497 63.546000 Cu 0.05271 0.879694 1.94115e-17 330 63.546 0.000109105 -3.53379 63.546000 Cu 0.078278 0.864586 0.5 331 63.546 3.45422e-05 -3.53444 63.546000 Cu 0.138802 0.871086 6.29324e-17 333 63.546 4.00088e-05 -3.53375 63.546000 Cu 0.199367 0.877615 0.5 335 63.546 0.000115599 -3.53503 63.546000 Cu 0.113212 0.886183 0.5 336 63.546 0.000167463 -3.53356 63.546000 Cu 0.250531 0.847387 0.5 304 63.546 0.000181328 -3.53504 63.546000 Cu 0.336624 0.838703 0.5 274 63.546 2.05588e-05 -3.53334 63.546000 Cu 0.310887 0.85385 1.24418e-16 306 63.546 0.000143314 -3.5332 63.546000 Cu 0.285329 0.869006 0.5 307 63.546 0.000307492 -3.53516 63.546000 Cu 0.259906 0.884168 9.19914e-17 337 63.546 0.000974041 -3.53723 63.546000 Cu 0.39696 0.845149 1.12872e-16 342 63.546 7.81117e-05 -3.53314 63.546000 Cu 0.483091 0.836497 1.36713e-16 344 63.546 5.25004e-05 -3.53482 63.546000 Cu 0.457352 0.851614 0.5 347 63.546 7.85034e-05 -3.53435 63.546000 Cu 0.345709 0.875443 1 374 63.546 0.000140791 -3.53294 63.546000 Cu 0.37125 0.860278 0.5 375 63.546 0.000197198 -3.53198 63.546000 Cu 0.431698 0.866721 7.1265e-17 376 63.546 0.000168738 -3.53217 63.546000 Cu 0.466499 0.888275 9.33476e-17 377 63.546 0.000761882 -3.53046 63.546000 Cu 0.492192 0.873201 0.5 378 63.546 4.98676e-05 -3.5331 63.546000 Cu 0.406059 0.881839 0.5 379 63.546 0.000781025 -3.53055 63.546000 Cu 0.690136 0.840888 1.02131e-16 318 63.546 8.42982e-05 -3.53594 63.546000 Cu 0.629716 0.834378 0.5 320 63.546 2.75997e-05 -3.53563 63.546000 Cu 0.517801 0.858098 4.09644e-17 345 63.546 4.26424e-05 -3.53497 63.546000 Cu 0.543483 0.842983 0.5 346 63.546 9.14843e-05 -3.53498 63.546000 Cu 0.603916 0.849478 1.41129e-16 348 63.546 0.00013027 -3.53491 63.546000 Cu 0.638802 0.871086 1.8177e-16 349 63.546 4.00088e-05 -3.53375 63.546000 Cu 0.664406 0.855992 0.5 350 63.546 8.51013e-05 -3.53492 63.546000 Cu 0.578278 0.864586 0.5 351 63.546 3.45422e-05 -3.53444 63.546000 Cu 0.724885 0.862513 8.50619e-17 352 63.546 0.000228099 -3.53529 63.546000 Cu 0.699367 0.877615 0.5 355 63.546 0.000115599 -3.53503 63.546000 Cu 0.55271 0.879694 1.67413e-16 380 63.546 0.000109105 -3.53379 63.546000 Cu 0.613212 0.886183 0.5 382 63.546 0.000167463 -3.53356 63.546000 Cu 0.750531 0.847387 0.5 324 63.546 0.000181328 -3.53504 63.546000 Cu 0.983091 0.836497 7.95638e-17 295 63.546 5.25004e-05 -3.53482 63.546000 Cu 0.810887 0.85385 1.35756e-16 322 63.546 0.000143314 -3.5332 63.546000 Cu 0.836624 0.838703 0.5 323 63.546 2.05588e-05 -3.53334 63.546000 Cu 0.89696 0.845149 4.09644e-17 325 63.546 7.81117e-05 -3.53314 63.546000 Cu 0.931698 0.866721 7.82921e-17 326 63.546 0.000168738 -3.53217 63.546000 Cu 0.957352 0.851614 0.5 327 63.546 7.85034e-05 -3.53435 63.546000 Cu 0.87125 0.860278 0.5 328 63.546 0.000197198 -3.53198 63.546000 Cu 0.992192 0.873201 0.5 332 63.546 4.98676e-05 -3.5331 63.546000 Cu 0.759906 0.884168 1.20331e-17 353 63.546 0.000974041 -3.53723 63.546000 Cu 0.785329 0.869006 0.5 354 63.546 0.000307492 -3.53516 63.546000 Cu 0.845709 0.875443 1.84325e-16 356 63.546 0.000140791 -3.53294 63.546000 Cu 0.906059 0.881839 0.5 358 63.546 0.000781025 -3.53055 63.546000 Cu 0.966499 0.888275 1.96951e-16 360 63.546 0.000761882 -3.53046 63.546000 Cu 0.173713 0.892696 1.3462e-16 334 63.546 0.00032668 -3.53314 63.546000 Cu 0.234235 0.899261 0.5 340 63.546 0.000520975 -3.53569 63.546000 Cu 0.0269768 0.894772 0.5 362 63.546 0.000258529 -3.53444 63.546000 Cu 0.087426 0.901289 2.0906e-16 364 63.546 0.000207199 -3.53678 63.546000 Cu 0.121868 0.922924 1.60399e-16 365 63.546 0.0005158 -3.53858 63.546000 Cu 0.147816 0.907785 0.5 366 63.546 0.000199843 -3.53451 63.546000 Cu 0.0614658 0.916378 0.5 367 63.546 0.000382632 -3.53816 63.546000 Cu 0.208237 0.914302 1.2139e-16 368 63.546 0.000853883 -3.5313 63.546000 Cu 0.24251 0.935877 7.36863e-17 369 63.546 0.00584893 -3.52164 63.546000 Cu 0.182162 0.929413 0.5 371 63.546 0.00046072 -3.53235 63.546000 Cu 0.0353031 0.931375 1.68401e-16 396 63.546 0.00469587 -3.52638 63.546000 Cu 0.0958658 0.938041 0.5 398 63.546 0.00412521 -3.54332 63.546000 Cu 0.000945698 0.909827 9.58647e-17 361 63.546 0.00180496 -3.53112 63.546000 Cu 0.294723 0.905856 1.68321e-16 338 63.546 0.00306075 -3.54015 63.546000 Cu 0.320275 0.890655 0.5 339 63.546 0.000930278 -3.53694 63.546000 Cu 0.268777 0.920925 0.5 370 63.546 0.000823791 -3.53518 63.546000 Cu 0.329303 0.927603 1.98963e-16 372 63.546 0.00918896 -3.54369 63.546000 Cu 0.303404 0.942601 0.5 373 63.546 0.00454299 -3.52737 63.546000 Cu 0.380497 0.897049 2.93032e-19 408 63.546 0.000404342 -3.53308 63.546000 Cu 0.414902 0.918677 3.306e-19 409 63.546 0.00100701 -3.53137 63.546000 Cu 0.440646 0.903397 0.5 410 63.546 0.00245423 -3.52845 63.546000 Cu 0.354931 0.912345 0.5 411 63.546 0.00258745 -3.53932 63.546000 Cu 0.474912 0.924935 0.5 415 63.546 0.00866894 -3.52058 63.546000 Cu 0.389438 0.934102 0.5 439 63.546 0.00805553 -3.53844 63.546000 Cu 0.44912 0.940323 6.80003e-17 440 63.546 0.00416408 -3.52042 63.546000 Cu 0.500946 0.909827 5.68012e-17 412 63.546 0.00180496 -3.53112 63.546000 Cu 0.587426 0.901289 1.5847e-16 381 63.546 0.000207199 -3.53678 63.546000 Cu 0.526977 0.894772 0.5 383 63.546 0.000258529 -3.53444 63.546000 Cu 0.673713 0.892696 1.5504e-16 384 63.546 0.00032668 -3.53314 63.546000 Cu 0.708237 0.914302 1.15603e-16 385 63.546 0.000853883 -3.5313 63.546000 Cu 0.734235 0.899261 0.5 386 63.546 0.000520975 -3.53569 63.546000 Cu 0.647816 0.907785 0.5 387 63.546 0.000199843 -3.53451 63.546000 Cu 0.535303 0.931375 1.07877e-16 413 63.546 0.00469587 -3.52638 63.546000 Cu 0.561466 0.916378 0.5 414 63.546 0.000382632 -3.53816 63.546000 Cu 0.621868 0.922924 2.67341e-16 416 63.546 0.0005158 -3.53858 63.546000 Cu 0.682162 0.929413 0.5 418 63.546 0.00046072 -3.53235 63.546000 Cu 0.595866 0.938041 0.5 419 63.546 0.00412521 -3.54332 63.546000 Cu 0.74251 0.935877 2.06851e-17 420 63.546 0.00584893 -3.52164 63.546000 Cu 0.880497 0.897049 2.97277e-17 357 63.546 0.000404342 -3.53308 63.546000 Cu 0.820275 0.890655 0.5 359 63.546 0.000930278 -3.53694 63.546000 Cu 0.940646 0.903397 0.5 363 63.546 0.00245423 -3.52845 63.546000 Cu 0.794723 0.905856 1.51259e-16 388 63.546 0.00306075 -3.54015 63.546000 Cu 0.829303 0.927603 4.09644e-17 389 63.546 0.00918896 -3.54369 63.546000 Cu 0.854931 0.912345 0.5 390 63.546 0.00258745 -3.53932 63.546000 Cu 0.768777 0.920925 0.5 391 63.546 0.000823791 -3.53518 63.546000 Cu 0.914902 0.918677 4.13231e-17 392 63.546 0.00100701 -3.53137 63.546000 Cu 0.94912 0.940323 4.1325e-19 393 63.546 0.00416408 -3.52042 63.546000 Cu 0.974912 0.924935 0.5 394 63.546 0.00866894 -3.52058 63.546000 Cu 0.889438 0.934102 0.5 395 63.546 0.00805553 -3.53844 63.546000 Cu 0.803404 0.942601 0.5 422 63.546 0.00454299 -3.52737 63.546000 Cu 0.135926 0.997147 3.5949e-17 483 63.546 7.03482 -3.53802 63.546000 Cu 0.156185 0.944591 1.76495e-17 400 63.546 0.00278951 -3.53899 63.546000 Cu 0.0694501 0.952905 1.21817e-16 397 63.546 0.0174859 -3.52176 63.546000 Cu 0.00871382 0.946369 0.5 399 63.546 0.042824 -3.49732 63.546000 Cu 0.19078 0.966261 2.31948e-16 401 63.546 0.0455202 -3.49482 63.546000 Cu 0.21656 0.95103 0.5 402 63.546 0.00392702 -3.51841 63.546000 Cu 0.13067 0.959813 0.5 403 63.546 0.051544 -3.54414 63.546000 Cu 0.0178615 0.983767 1 429 63.546 1.14807 -3.43172 63.546000 Cu 0.0419804 0.967511 0.5 430 63.546 0.263642 -3.43683 63.546000 Cu 0.105319 0.974261 4.42741e-18 432 63.546 0.181311 -3.42314 63.546000 Cu 0.165407 0.982496 0.5 434 63.546 0.998274 -3.47234 63.546000 Cu 0.0773625 0.987741 0.5 435 63.546 4.30965 -3.02926 63.546000 Cu 0.221864 0.988 5.93146e-17 436 63.546 1.43181 -3.28604 63.546000 Cu 0.280412 0.99598 0.5 506 63.546 3.18605 -3.60289 63.546000 Cu 0.43355 0.997329 3.87309e-17 508 63.546 8.86243 -3.82292 63.546000 Cu 0.250197 0.972867 0.5 407 63.546 0.0785662 -3.46109 63.546000 Cu 0.276625 0.957343 3.49272e-17 404 63.546 0.0518256 -3.48157 63.546000 Cu 0.308085 0.978683 8.94649e-17 405 63.546 0.499799 -3.37562 63.546000 Cu 0.337693 0.964422 0.5 406 63.546 0.0341623 -3.50984 63.546000 Cu 0.363984 0.949502 1.12928e-16 438 63.546 0.0406053 -3.54547 63.546000 Cu 0.482767 0.962028 4.66973e-18 441 63.546 0.0220223 -3.49263 63.546000 Cu 0.423575 0.955966 0.5 443 63.546 0.0224248 -3.52735 63.546000 Cu 0.39843 0.971862 6.87479e-17 458 63.546 0.361822 -3.51933 63.546000 Cu 0.457306 0.977959 0.5 460 63.546 0.41708 -3.44473 63.546000 Cu 0.373566 0.98619 0.5 461 63.546 1.14638 -3.38638 63.546000 Cu 0.495934 0.998071 0.5 464 63.546 11.7035 -3.03104 63.546000 Cu 0.340464 0.998516 1.2943e-16 466 63.546 8.80305 -2.86641 63.546000 Cu 0.635926 0.997147 1 467 63.546 7.03482 -3.53802 63.546000 Cu 0.656185 0.944591 4.09644e-17 417 63.546 0.00278951 -3.53899 63.546000 Cu 0.71656 0.95103 0.5 423 63.546 0.00392702 -3.51841 63.546000 Cu 0.508714 0.946369 0.5 442 63.546 0.042824 -3.49732 63.546000 Cu 0.56945 0.952905 1.28808e-16 444 63.546 0.0174859 -3.52176 63.546000 Cu 0.605319 0.974261 7.72027e-19 445 63.546 0.181311 -3.42314 63.546000 Cu 0.63067 0.959813 0.5 446 63.546 0.051544 -3.54414 63.546000 Cu 0.54198 0.967511 0.5 447 63.546 0.263642 -3.43683 63.546000 Cu 0.69078 0.966261 1.52788e-16 448 63.546 0.0455202 -3.49482 63.546000 Cu 0.721864 0.988 3.7756e-19 449 63.546 1.43181 -3.28604 63.546000 Cu 0.665407 0.982496 0.5 451 63.546 0.998274 -3.47234 63.546000 Cu 0.517861 0.983767 7.27752e-17 462 63.546 1.14807 -3.43172 63.546000 Cu 0.577362 0.987741 0.5 463 63.546 4.30965 -3.02926 63.546000 Cu 0.780412 0.99598 0.5 470 63.546 3.18605 -3.60289 63.546000 Cu 0.93355 0.997329 4.73359e-19 480 63.546 8.86243 -3.82292 63.546000 Cu 0.750197 0.972867 0.5 450 63.546 0.0785662 -3.46109 63.546000 Cu 0.776625 0.957343 8.0396e-17 421 63.546 0.0518256 -3.48157 63.546000 Cu 0.863984 0.949502 4.38008e-17 424 63.546 0.0406053 -3.54547 63.546000 Cu 0.89843 0.971862 8.39649e-19 425 63.546 0.361822 -3.51933 63.546000 Cu 0.923575 0.955966 0.5 426 63.546 0.0224248 -3.52735 63.546000 Cu 0.837693 0.964422 0.5 427 63.546 0.0341623 -3.50984 63.546000 Cu 0.982767 0.962028 9.37327e-19 428 63.546 0.0220223 -3.49263 63.546000 Cu 0.957306 0.977959 0.5 431 63.546 0.41708 -3.44473 63.546000 Cu 0.808085 0.978683 5.86534e-17 452 63.546 0.499799 -3.37562 63.546000 Cu 0.840464 0.998516 7.45729e-17 453 63.546 8.80305 -2.86641 63.546000 Cu 0.873566 0.98619 0.5 454 63.546 1.14638 -3.38638 63.546000 Cu 0.995934 0.998071 0.5 457 63.546 11.7035 -3.03104