Number of particles = 796 A = 1 Angstrom (basic length-scale) H0(1,1) = 25.5495 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 102.049 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.6196 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 0.141251 0.0101129 1 406 63.546 6.2201 -3.22218 63.546000 Cu 0.0730853 0.0101084 0.5 407 63.546 0.47398 -3.51356 63.546000 Cu 0.076802 0.0272142 0 418 63.546 0.367105 -3.49657 63.546000 Cu 0.16096 0.0410713 8.38701e-19 419 63.546 0.0442831 -3.51203 63.546000 Cu 0.153235 0.0250281 0.5 420 63.546 4.30672 -3.43752 63.546000 Cu 0.0873046 0.0434693 0.5 421 63.546 0.0668155 -3.5296 63.546000 Cu 0.00320086 0.0100963 1.2281e-16 404 63.546 0.11963 -3.53844 63.546000 Cu 0.00583803 0.0277514 0.5 416 63.546 0.168964 -3.53093 63.546000 Cu 0.224131 0.0216941 0 422 63.546 9.11166 -3.2836 63.546000 Cu 0.305651 0.0328048 2.39629e-19 423 63.546 0.882113 -3.4192 63.546000 Cu 0.286029 0.0105206 0.5 424 63.546 7.93526 -3.45537 63.546000 Cu 0.236169 0.0375622 0.5 425 63.546 0.8407 -3.44619 63.546000 Cu 0.358682 0.0100546 2.48016e-17 426 63.546 1.70216 -3.50259 63.546000 Cu 0.36824 0.0291652 0.5 429 63.546 0.396315 -3.47188 63.546000 Cu 0.435774 0.0282509 0 427 63.546 0.21927 -3.52882 63.546000 Cu 0.432143 0.0100896 0.5 428 63.546 0.253061 -3.52878 63.546000 Cu 0.503201 0.0100963 1.2257e-16 430 63.546 0.11963 -3.53844 63.546000 Cu 0.576802 0.0272142 1.2269e-16 431 63.546 0.367105 -3.49657 63.546000 Cu 0.573085 0.0101084 0.5 432 63.546 0.47398 -3.51356 63.546000 Cu 0.505838 0.0277514 0.5 433 63.546 0.168964 -3.53093 63.546000 Cu 0.587305 0.0434693 0.5 460 63.546 0.0668155 -3.5296 63.546000 Cu 0.786029 0.0105206 0.5 403 63.546 7.93526 -3.45537 63.546000 Cu 0.641251 0.0101129 5.99072e-19 434 63.546 6.2201 -3.22218 63.546000 Cu 0.724131 0.0216941 3.59443e-19 435 63.546 9.11166 -3.2836 63.546000 Cu 0.653235 0.0250281 0.5 437 63.546 4.30672 -3.43752 63.546000 Cu 0.66096 0.0410713 1.14543e-16 462 63.546 0.0442831 -3.51203 63.546000 Cu 0.736169 0.0375622 0.5 464 63.546 0.8407 -3.44619 63.546000 Cu 0.805651 0.0328048 1.19814e-19 410 63.546 0.882113 -3.4192 63.546000 Cu 0.858682 0.0100546 0 402 63.546 1.70216 -3.50259 63.546000 Cu 0.932143 0.0100896 0.5 405 63.546 0.253061 -3.52878 63.546000 Cu 0.86824 0.0291652 0.5 412 63.546 0.396315 -3.47188 63.546000 Cu 0.935774 0.0282509 6.94924e-18 414 63.546 0.21927 -3.52882 63.546000 Cu 0.0380012 0.0799147 1.19814e-19 443 63.546 0.00525046 -3.53881 63.546000 Cu 0.0260807 0.0625866 0.5 444 63.546 0.0438375 -3.53777 63.546000 Cu 0.097749 0.0601575 1.19814e-19 446 63.546 0.0257832 -3.53625 63.546000 Cu 0.180535 0.0743977 1.19814e-19 447 63.546 0.0247033 -3.54426 63.546000 Cu 0.171263 0.0574009 0.5 448 63.546 0.0281174 -3.53575 63.546000 Cu 0.108931 0.077141 0.5 449 63.546 0.0125109 -3.54272 63.546000 Cu 0.0141466 0.0453271 1.19814e-19 415 63.546 0.160765 -3.525 63.546000 Cu 0.243941 0.0543706 0 450 63.546 0.0993152 -3.53531 63.546000 Cu 0.321278 0.069497 1.2257e-16 451 63.546 0.0182008 -3.53412 63.546000 Cu 0.314055 0.051432 0.5 452 63.546 0.160775 -3.50991 63.546000 Cu 0.251692 0.0718159 0.5 453 63.546 0.0234467 -3.54244 63.546000 Cu 0.379801 0.0488349 2.39629e-19 454 63.546 0.0522532 -3.49994 63.546000 Cu 0.389355 0.0672633 0.5 457 63.546 0.032576 -3.52466 63.546000 Cu 0.398823 0.0850618 3.90595e-17 483 63.546 0.0153979 -3.5342 63.546000 Cu 0.456846 0.0649772 0 455 63.546 0.0411344 -3.52717 63.546000 Cu 0.445217 0.0467208 0.5 456 63.546 0.114283 -3.52343 63.546000 Cu 0.514147 0.0453271 0 458 63.546 0.160765 -3.525 63.546000 Cu 0.597749 0.0601575 1.2245e-16 459 63.546 0.0257832 -3.53625 63.546000 Cu 0.526081 0.0625866 0.5 461 63.546 0.0438375 -3.53777 63.546000 Cu 0.468161 0.0826001 0.5 485 63.546 0.0125257 -3.53459 63.546000 Cu 0.538001 0.0799147 1.19814e-19 487 63.546 0.00525046 -3.53881 63.546000 Cu 0.608931 0.077141 0.5 489 63.546 0.0125109 -3.54272 63.546000 Cu 0.743941 0.0543706 2.39629e-19 463 63.546 0.0993152 -3.53531 63.546000 Cu 0.671263 0.0574009 0.5 465 63.546 0.0281174 -3.53575 63.546000 Cu 0.680535 0.0743977 1.19814e-19 491 63.546 0.0247033 -3.54426 63.546000 Cu 0.751692 0.0718159 0.5 493 63.546 0.0234467 -3.54244 63.546000 Cu 0.814055 0.051432 0.5 413 63.546 0.160775 -3.50991 63.546000 Cu 0.821278 0.069497 0 438 63.546 0.0182008 -3.53412 63.546000 Cu 0.879801 0.0488349 1.19814e-19 411 63.546 0.0522532 -3.49994 63.546000 Cu 0.945217 0.0467208 0.5 417 63.546 0.114283 -3.52343 63.546000 Cu 0.898823 0.0850618 0 439 63.546 0.0153979 -3.5342 63.546000 Cu 0.889355 0.0672633 0.5 440 63.546 0.032576 -3.52466 63.546000 Cu 0.956846 0.0649772 1.2269e-16 442 63.546 0.0411344 -3.52717 63.546000 Cu 0.968161 0.0826001 0.5 445 63.546 0.0125257 -3.53459 63.546000 Cu 0.0594147 0.114682 1.19814e-19 472 63.546 0.00189773 -3.54039 63.546000 Cu 0.0491408 0.0972601 0.5 473 63.546 0.00162049 -3.53997 63.546000 Cu 0.119492 0.0944904 0 475 63.546 0.00669947 -3.54238 63.546000 Cu 0.199218 0.109531 0 476 63.546 0.0015309 -3.54044 63.546000 Cu 0.189791 0.0918668 0.5 477 63.546 0.00968766 -3.54317 63.546000 Cu 0.129474 0.112038 0.5 478 63.546 0.00292399 -3.54067 63.546000 Cu 0.139134 0.129649 0 505 63.546 0.000679666 -3.5399 63.546000 Cu 0.208798 0.127197 0.5 507 63.546 0.000249516 -3.53931 63.546000 Cu 0.25983 0.0894921 1.2245e-16 479 63.546 0.00356357 -3.5414 63.546000 Cu 0.338624 0.104903 1.64146e-17 480 63.546 0.00366188 -3.5387 63.546000 Cu 0.329493 0.08729 0.5 481 63.546 0.0042247 -3.53783 63.546000 Cu 0.268873 0.107183 0.5 482 63.546 0.00119569 -3.53969 63.546000 Cu 0.278472 0.124803 4.91239e-17 509 63.546 0.00124886 -3.53926 63.546000 Cu 0.348432 0.122409 0.5 511 63.546 0.0016505 -3.53958 63.546000 Cu 0.408662 0.102542 0.5 486 63.546 0.00449148 -3.53785 63.546000 Cu 0.41868 0.119935 2.39629e-19 513 63.546 0.000786081 -3.53974 63.546000 Cu 0.47886 0.0999906 3.4866e-17 484 63.546 0.00265727 -3.53791 63.546000 Cu 0.549141 0.0972601 0.5 490 63.546 0.00162049 -3.53997 63.546000 Cu 0.48907 0.117346 0.5 515 63.546 0.000433647 -3.53994 63.546000 Cu 0.559415 0.114682 0 517 63.546 0.00189773 -3.54039 63.546000 Cu 0.619492 0.0944904 1.2269e-16 488 63.546 0.00669947 -3.54238 63.546000 Cu 0.778472 0.124803 0 466 63.546 0.00124886 -3.53926 63.546000 Cu 0.75983 0.0894921 1.70136e-17 492 63.546 0.00356357 -3.5414 63.546000 Cu 0.689791 0.0918668 0.5 494 63.546 0.00968766 -3.54317 63.546000 Cu 0.639134 0.129649 3.59443e-19 518 63.546 0.000679666 -3.5399 63.546000 Cu 0.629474 0.112038 0.5 519 63.546 0.00292399 -3.54067 63.546000 Cu 0.699218 0.109531 4.517e-17 521 63.546 0.0015309 -3.54044 63.546000 Cu 0.768873 0.107183 0.5 522 63.546 0.00119569 -3.53969 63.546000 Cu 0.708798 0.127197 0.5 523 63.546 0.000249516 -3.53931 63.546000 Cu 0.829493 0.08729 0.5 441 63.546 0.0042247 -3.53783 63.546000 Cu 0.838624 0.104903 1.19814e-19 467 63.546 0.00366188 -3.5387 63.546000 Cu 0.91868 0.119935 2.39629e-19 468 63.546 0.000786081 -3.53974 63.546000 Cu 0.908662 0.102542 0.5 469 63.546 0.00449148 -3.53785 63.546000 Cu 0.848432 0.122409 0.5 470 63.546 0.0016505 -3.53958 63.546000 Cu 0.97886 0.0999906 0 471 63.546 0.00265727 -3.53791 63.546000 Cu 0.98907 0.117346 0.5 474 63.546 0.000433647 -3.53994 63.546000 Cu 0.0789355 0.149732 5.33174e-17 502 63.546 0.000306016 -3.5401 63.546000 Cu 0.0692413 0.13218 0.5 503 63.546 0.00119066 -3.54049 63.546000 Cu 0.148797 0.147258 0.5 508 63.546 0.00012512 -3.5396 63.546000 Cu 0.0886934 0.167288 0.5 532 63.546 8.49096e-05 -3.53979 63.546000 Cu 0.158584 0.164827 0 534 63.546 0.000119725 -3.5395 63.546000 Cu 0.0089137 0.152246 0.5 504 63.546 0.000451106 -3.54034 63.546000 Cu 0.0187418 0.169771 2.39629e-19 530 63.546 0.000203137 -3.54016 63.546000 Cu 0.218556 0.144812 0 506 63.546 0.000429056 -3.53922 63.546000 Cu 0.358476 0.139882 0 510 63.546 0.000479619 -3.53992 63.546000 Cu 0.288405 0.142363 0.5 512 63.546 0.000739502 -3.53943 63.546000 Cu 0.228511 0.162361 0.5 536 63.546 0.000184306 -3.53945 63.546000 Cu 0.298485 0.159873 0 538 63.546 0.000185239 -3.53966 63.546000 Cu 0.368565 0.157348 0.5 540 63.546 8.60742e-05 -3.54008 63.546000 Cu 0.499068 0.134769 0 514 63.546 0.000503508 -3.5406 63.546000 Cu 0.428744 0.137351 0.5 516 63.546 0.000131897 -3.54034 63.546000 Cu 0.569241 0.13218 0.5 520 63.546 0.00119066 -3.54049 63.546000 Cu 0.438743 0.154796 0 542 63.546 0.000182096 -3.54031 63.546000 Cu 0.518742 0.169771 1.55759e-18 543 63.546 0.000203137 -3.54016 63.546000 Cu 0.508914 0.152246 0.5 544 63.546 0.000451106 -3.54034 63.546000 Cu 0.448743 0.172293 0.5 545 63.546 0.000156518 -3.54027 63.546000 Cu 0.578935 0.149732 4.79258e-19 546 63.546 0.000306016 -3.5401 63.546000 Cu 0.588693 0.167288 0.5 549 63.546 8.49096e-05 -3.53979 63.546000 Cu 0.798485 0.159873 0 495 63.546 0.000185239 -3.53966 63.546000 Cu 0.788405 0.142363 0.5 496 63.546 0.000739502 -3.53943 63.546000 Cu 0.658584 0.164827 2.39629e-19 547 63.546 0.000119725 -3.5395 63.546000 Cu 0.648797 0.147258 0.5 548 63.546 0.00012512 -3.5396 63.546000 Cu 0.718556 0.144812 1.19814e-19 550 63.546 0.000429056 -3.53922 63.546000 Cu 0.728511 0.162361 0.5 551 63.546 0.000184306 -3.53945 63.546000 Cu 0.858476 0.139882 2.39629e-19 497 63.546 0.000479619 -3.53992 63.546000 Cu 0.938743 0.154796 7.18887e-19 498 63.546 0.000182096 -3.54031 63.546000 Cu 0.928744 0.137351 0.5 499 63.546 0.000131897 -3.54034 63.546000 Cu 0.868565 0.157348 0.5 500 63.546 8.60742e-05 -3.54008 63.546000 Cu 0.999068 0.134769 2.39629e-19 501 63.546 0.000503508 -3.5406 63.546000 Cu 0.948743 0.172293 0.5 528 63.546 0.000156518 -3.54027 63.546000 Cu 0.0986226 0.184843 0 531 63.546 2.5201e-05 -3.54003 63.546000 Cu 0.0287018 0.187321 0.5 533 63.546 4.98963e-05 -3.54014 63.546000 Cu 0.168549 0.182372 0.5 537 63.546 6.78596e-05 -3.53993 63.546000 Cu 0.0387221 0.204881 2.39629e-19 558 63.546 1.12117e-05 -3.53991 63.546000 Cu 0.108643 0.202402 0.5 560 63.546 5.80986e-05 -3.53991 63.546000 Cu 0.178593 0.199914 4.67276e-18 562 63.546 9.04263e-05 -3.53982 63.546000 Cu 0.238524 0.179889 2.1926e-17 535 63.546 0.000101446 -3.53987 63.546000 Cu 0.378668 0.174839 0 539 63.546 2.0913e-05 -3.54032 63.546000 Cu 0.308553 0.177377 0.5 541 63.546 6.12713e-05 -3.54008 63.546000 Cu 0.258704 0.214917 1.19814e-19 563 63.546 1.32728e-05 -3.53994 63.546000 Cu 0.248579 0.197406 0.5 564 63.546 6.13597e-05 -3.53983 63.546000 Cu 0.318641 0.194879 2.39629e-19 566 63.546 9.86093e-06 -3.54011 63.546000 Cu 0.398763 0.209868 3.59443e-19 567 63.546 5.00651e-05 -3.54022 63.546000 Cu 0.38873 0.192345 0.5 568 63.546 5.44683e-05 -3.54023 63.546000 Cu 0.328719 0.212392 0.5 569 63.546 3.40157e-05 -3.54016 63.546000 Cu 0.458751 0.18982 3.4866e-17 570 63.546 0.000102477 -3.54013 63.546000 Cu 0.538722 0.204881 0 571 63.546 1.12117e-05 -3.53991 63.546000 Cu 0.528702 0.187321 0.5 572 63.546 4.98963e-05 -3.54014 63.546000 Cu 0.46877 0.207365 0.5 573 63.546 2.98136e-05 -3.54003 63.546000 Cu 0.598623 0.184843 5.51146e-18 574 63.546 2.5201e-05 -3.54003 63.546000 Cu 0.608643 0.202402 0.5 577 63.546 5.80986e-05 -3.53991 63.546000 Cu 0.678593 0.199914 0 575 63.546 9.04263e-05 -3.53982 63.546000 Cu 0.668549 0.182372 0.5 576 63.546 6.78596e-05 -3.53993 63.546000 Cu 0.738524 0.179889 0 578 63.546 0.000101446 -3.53987 63.546000 Cu 0.748579 0.197406 0.5 579 63.546 6.13597e-05 -3.53983 63.546000 Cu 0.758704 0.214917 1.19814e-19 608 63.546 1.32728e-05 -3.53994 63.546000 Cu 0.818641 0.194879 1.2257e-16 524 63.546 9.86093e-06 -3.54011 63.546000 Cu 0.808553 0.177377 0.5 525 63.546 6.12713e-05 -3.54008 63.546000 Cu 0.878668 0.174839 1.19814e-19 526 63.546 2.0913e-05 -3.54032 63.546000 Cu 0.958751 0.18982 1.19814e-19 527 63.546 0.000102477 -3.54013 63.546000 Cu 0.88873 0.192345 0.5 529 63.546 5.44683e-05 -3.54023 63.546000 Cu 0.828719 0.212392 0.5 553 63.546 3.40157e-05 -3.54016 63.546000 Cu 0.898763 0.209868 8.14738e-18 554 63.546 5.00651e-05 -3.54022 63.546000 Cu 0.96877 0.207365 0.5 556 63.546 2.98136e-05 -3.54003 63.546000 Cu 0.118742 0.219937 0 559 63.546 2.16949e-05 -3.53972 63.546000 Cu 0.0487613 0.222424 0.5 561 63.546 1.52392e-05 -3.53969 63.546000 Cu 0.188707 0.217435 0.5 565 63.546 2.16414e-05 -3.53976 63.546000 Cu 0.0588673 0.239967 3.59443e-19 588 63.546 1.62857e-05 -3.54007 63.546000 Cu 0.138962 0.255017 3.59443e-19 589 63.546 4.0063e-05 -3.53998 63.546000 Cu 0.128837 0.237472 0.5 590 63.546 2.50977e-05 -3.5401 63.546000 Cu 0.0690345 0.257522 0.5 591 63.546 3.70513e-05 -3.5399 63.546000 Cu 0.198857 0.234962 1.19814e-19 592 63.546 1.12757e-05 -3.54014 63.546000 Cu 0.208976 0.252494 0.5 595 63.546 6.43437e-06 -3.54014 63.546000 Cu 0.278987 0.249968 0 593 63.546 4.00287e-06 -3.54002 63.546000 Cu 0.268856 0.232441 0.5 594 63.546 1.13941e-06 -3.5401 63.546000 Cu 0.338856 0.229919 0 596 63.546 1.36336e-05 -3.54003 63.546000 Cu 0.349 0.247448 0.5 599 63.546 3.3531e-05 -3.53997 63.546000 Cu 0.418958 0.244948 2.39629e-19 597 63.546 1.80199e-05 -3.54 63.546000 Cu 0.408818 0.227407 0.5 598 63.546 3.82247e-05 -3.54003 63.546000 Cu 0.478805 0.224907 2.39629e-19 600 63.546 2.6667e-05 -3.53991 63.546000 Cu 0.558867 0.239967 1.91703e-17 601 63.546 1.62857e-05 -3.54007 63.546000 Cu 0.548761 0.222424 0.5 602 63.546 1.52392e-05 -3.53969 63.546000 Cu 0.488913 0.242458 0.5 603 63.546 7.26393e-06 -3.54016 63.546000 Cu 0.499064 0.260013 1.19814e-19 630 63.546 2.35997e-05 -3.53993 63.546000 Cu 0.569034 0.257522 0.5 632 63.546 3.70513e-05 -3.5399 63.546000 Cu 0.618742 0.219937 1.19814e-19 604 63.546 2.16949e-05 -3.53972 63.546000 Cu 0.778987 0.249968 1.71335e-17 580 63.546 4.00287e-06 -3.54002 63.546000 Cu 0.698857 0.234962 7.78794e-18 605 63.546 1.12757e-05 -3.54014 63.546000 Cu 0.688707 0.217435 0.5 606 63.546 2.16414e-05 -3.53976 63.546000 Cu 0.628837 0.237472 0.5 607 63.546 2.50977e-05 -3.5401 63.546000 Cu 0.768856 0.232441 0.5 609 63.546 1.13941e-06 -3.5401 63.546000 Cu 0.638962 0.255017 1.19814e-19 634 63.546 4.0063e-05 -3.53998 63.546000 Cu 0.708976 0.252494 0.5 636 63.546 6.43437e-06 -3.54014 63.546000 Cu 0.838856 0.229919 1.19814e-19 552 63.546 1.36336e-05 -3.54003 63.546000 Cu 0.978805 0.224907 4.55295e-17 555 63.546 2.6667e-05 -3.53991 63.546000 Cu 0.908818 0.227407 0.5 557 63.546 3.82247e-05 -3.54003 63.546000 Cu 0.849 0.247448 0.5 582 63.546 3.3531e-05 -3.53997 63.546000 Cu 0.918958 0.244948 0 584 63.546 1.80199e-05 -3.54 63.546000 Cu 0.999064 0.260013 9.58515e-18 585 63.546 2.35997e-05 -3.53993 63.546000 Cu 0.988913 0.242458 0.5 586 63.546 7.26393e-06 -3.54016 63.546000 Cu 0.0791335 0.275062 2.39629e-19 618 63.546 1.58099e-05 -3.53993 63.546000 Cu 0.159228 0.290097 1.19814e-19 619 63.546 3.81654e-05 -3.54008 63.546000 Cu 0.149106 0.272556 0.5 620 63.546 2.24963e-05 -3.54006 63.546000 Cu 0.0892026 0.292612 0.5 621 63.546 7.0684e-05 -3.53997 63.546000 Cu 0.0192324 0.295099 1.6774e-17 615 63.546 9.43361e-06 -3.5399 63.546000 Cu 0.00916938 0.277551 0.5 616 63.546 7.02807e-06 -3.53979 63.546000 Cu 0.219101 0.270028 6.50592e-17 622 63.546 8.04105e-06 -3.54028 63.546000 Cu 0.299282 0.285035 2.73177e-17 623 63.546 2.52396e-05 -3.54004 63.546000 Cu 0.289141 0.267495 0.5 624 63.546 3.25296e-05 -3.54016 63.546000 Cu 0.229264 0.287568 0.5 625 63.546 1.69916e-05 -3.54013 63.546000 Cu 0.359135 0.264986 3.59443e-19 626 63.546 1.95943e-05 -3.54 63.546000 Cu 0.369259 0.282521 0.5 629 63.546 3.85147e-05 -3.53977 63.546000 Cu 0.309391 0.302571 0.5 652 63.546 3.79086e-05 -3.54006 63.546000 Cu 0.379361 0.300063 1.19814e-19 654 63.546 5.0354e-05 -3.53985 63.546000 Cu 0.439221 0.280032 1.2257e-16 627 63.546 1.4339e-05 -3.53966 63.546000 Cu 0.429123 0.262494 0.5 628 63.546 2.1754e-05 -3.53988 63.546000 Cu 0.579133 0.275062 2.39629e-19 631 63.546 1.58099e-05 -3.53993 63.546000 Cu 0.509169 0.277551 0.5 633 63.546 7.02807e-06 -3.53979 63.546000 Cu 0.449273 0.297576 0.5 656 63.546 2.63778e-05 -3.53979 63.546000 Cu 0.519232 0.295099 1.19814e-19 658 63.546 9.43361e-06 -3.5399 63.546000 Cu 0.589203 0.292612 0.5 660 63.546 7.0684e-05 -3.53997 63.546000 Cu 0.789141 0.267495 0.5 583 63.546 3.25296e-05 -3.54016 63.546000 Cu 0.799282 0.285035 0 610 63.546 2.52396e-05 -3.54004 63.546000 Cu 0.719101 0.270028 1.19814e-19 635 63.546 8.04105e-06 -3.54028 63.546000 Cu 0.649106 0.272556 0.5 637 63.546 2.24963e-05 -3.54006 63.546000 Cu 0.659228 0.290097 3.6783e-17 662 63.546 3.81654e-05 -3.54008 63.546000 Cu 0.729264 0.287568 0.5 664 63.546 1.69916e-05 -3.54013 63.546000 Cu 0.809391 0.302571 0.5 613 63.546 3.79086e-05 -3.54006 63.546000 Cu 0.859135 0.264986 0 581 63.546 1.95943e-05 -3.54 63.546000 Cu 0.929123 0.262494 0.5 587 63.546 2.1754e-05 -3.53988 63.546000 Cu 0.879361 0.300063 0 611 63.546 5.0354e-05 -3.53985 63.546000 Cu 0.869259 0.282521 0.5 612 63.546 3.85147e-05 -3.53977 63.546000 Cu 0.939221 0.280032 3.13914e-17 614 63.546 1.4339e-05 -3.53966 63.546000 Cu 0.949273 0.297576 0.5 617 63.546 2.63778e-05 -3.53979 63.546000 Cu 0.0393954 0.330205 2.77969e-17 643 63.546 5.20753e-05 -3.54025 63.546000 Cu 0.0292984 0.312644 0.5 644 63.546 3.54521e-05 -3.53991 63.546000 Cu 0.0992883 0.310142 0 646 63.546 2.98235e-05 -3.53989 63.546000 Cu 0.179402 0.325153 0 647 63.546 3.58646e-05 -3.54026 63.546000 Cu 0.169324 0.307622 0.5 648 63.546 6.38e-06 -3.54014 63.546000 Cu 0.109349 0.327682 0.5 649 63.546 8.64397e-05 -3.54019 63.546000 Cu 0.0494675 0.347772 0.5 673 63.546 0.000253727 -3.54051 63.546000 Cu 0.119484 0.345217 0 675 63.546 8.31826e-05 -3.5403 63.546000 Cu 0.189562 0.342663 0.5 677 63.546 5.93432e-05 -3.53997 63.546000 Cu 0.239373 0.305094 0 650 63.546 1.1668e-05 -3.54013 63.546000 Cu 0.319526 0.320115 1.19814e-19 651 63.546 4.99034e-05 -3.54005 63.546000 Cu 0.2495 0.322627 0.5 653 63.546 2.7411e-05 -3.54017 63.546000 Cu 0.389481 0.317624 0.5 657 63.546 2.70341e-05 -3.53979 63.546000 Cu 0.259623 0.340144 0 679 63.546 9.45158e-05 -3.53974 63.546000 Cu 0.329655 0.337653 0.5 681 63.546 0.000136986 -3.53975 63.546000 Cu 0.399595 0.335181 0 683 63.546 8.62017e-05 -3.53966 63.546000 Cu 0.459359 0.315136 1.2257e-16 655 63.546 1.82026e-05 -3.53983 63.546000 Cu 0.599288 0.310142 0 659 63.546 2.98235e-05 -3.53989 63.546000 Cu 0.529298 0.312644 0.5 661 63.546 3.54521e-05 -3.53991 63.546000 Cu 0.469477 0.332705 0.5 685 63.546 3.92634e-05 -3.54 63.546000 Cu 0.539395 0.330205 0 687 63.546 5.20753e-05 -3.54025 63.546000 Cu 0.549467 0.347772 0.5 690 63.546 0.000253727 -3.54051 63.546000 Cu 0.619484 0.345217 1.19814e-19 688 63.546 8.31826e-05 -3.5403 63.546000 Cu 0.609349 0.327682 0.5 689 63.546 8.64397e-05 -3.54019 63.546000 Cu 0.739373 0.305094 0 663 63.546 1.1668e-05 -3.54013 63.546000 Cu 0.669324 0.307622 0.5 665 63.546 6.38e-06 -3.54014 63.546000 Cu 0.679402 0.325153 0 691 63.546 3.58646e-05 -3.54026 63.546000 Cu 0.759623 0.340144 2.39629e-19 692 63.546 9.45158e-05 -3.53974 63.546000 Cu 0.7495 0.322627 0.5 693 63.546 2.7411e-05 -3.54017 63.546000 Cu 0.689562 0.342663 0.5 694 63.546 5.93432e-05 -3.53997 63.546000 Cu 0.819526 0.320115 2.39629e-18 638 63.546 4.99034e-05 -3.54005 63.546000 Cu 0.899595 0.335181 1.19814e-19 639 63.546 8.62017e-05 -3.53966 63.546000 Cu 0.889481 0.317624 0.5 640 63.546 2.70341e-05 -3.53979 63.546000 Cu 0.829655 0.337653 0.5 641 63.546 0.000136986 -3.53975 63.546000 Cu 0.959359 0.315136 0 642 63.546 1.82026e-05 -3.53983 63.546000 Cu 0.969477 0.332705 0.5 645 63.546 3.92634e-05 -3.54 63.546000 Cu 0.0595939 0.365301 1.2257e-16 672 63.546 0.000357694 -3.54051 63.546000 Cu 0.199772 0.360183 0 676 63.546 0.000186126 -3.53957 63.546000 Cu 0.129731 0.362732 0.5 678 63.546 7.51683e-05 -3.5401 63.546000 Cu 0.0697492 0.382769 0.5 703 63.546 0.000133806 -3.54045 63.546000 Cu 0.140042 0.380217 0 705 63.546 0.000593201 -3.5399 63.546000 Cu 0.210026 0.377712 0.5 707 63.546 0.000681585 -3.53923 63.546000 Cu 0.339662 0.355203 0 680 63.546 0.000151346 -3.53968 63.546000 Cu 0.269717 0.357672 0.5 682 63.546 0.000306398 -3.53943 63.546000 Cu 0.27981 0.37524 0 709 63.546 0.000409195 -3.53928 63.546000 Cu 0.359461 0.390417 0 710 63.546 0.000445864 -3.53993 63.546000 Cu 0.349547 0.372788 0.5 711 63.546 0.000185293 -3.5397 63.546000 Cu 0.409584 0.352751 0.5 686 63.546 5.12207e-05 -3.53982 63.546000 Cu 0.419432 0.370326 0 713 63.546 0.000207277 -3.54009 63.546000 Cu 0.479489 0.350283 0 684 63.546 0.000191097 -3.54026 63.546000 Cu 0.499421 0.385344 3.59443e-19 714 63.546 0.000756416 -3.54052 63.546000 Cu 0.489444 0.367842 0.5 715 63.546 0.00057639 -3.54041 63.546000 Cu 0.429277 0.387903 0.5 716 63.546 0.00123617 -3.54047 63.546000 Cu 0.559594 0.365301 1.19814e-19 717 63.546 0.000357694 -3.54051 63.546000 Cu 0.569749 0.382769 0.5 720 63.546 0.000133806 -3.54045 63.546000 Cu 0.77981 0.37524 2.39629e-19 666 63.546 0.000409195 -3.53928 63.546000 Cu 0.640042 0.380217 1.19814e-19 718 63.546 0.000593201 -3.5399 63.546000 Cu 0.629731 0.362732 0.5 719 63.546 7.51683e-05 -3.5401 63.546000 Cu 0.699772 0.360183 0 721 63.546 0.000186126 -3.53957 63.546000 Cu 0.769717 0.357672 0.5 722 63.546 0.000306398 -3.53943 63.546000 Cu 0.710026 0.377712 0.5 723 63.546 0.000681585 -3.53923 63.546000 Cu 0.839662 0.355203 1.19814e-19 667 63.546 0.000151346 -3.53968 63.546000 Cu 0.919432 0.370326 0 668 63.546 0.000207277 -3.54009 63.546000 Cu 0.909584 0.352751 0.5 669 63.546 5.12207e-05 -3.53982 63.546000 Cu 0.849547 0.372788 0.5 670 63.546 0.000185293 -3.5397 63.546000 Cu 0.979489 0.350283 0 671 63.546 0.000191097 -3.54026 63.546000 Cu 0.989444 0.367842 0.5 674 63.546 0.00057639 -3.54041 63.546000 Cu 0.859461 0.390417 1.19814e-19 697 63.546 0.000445864 -3.53993 63.546000 Cu 0.929277 0.387903 0.5 699 63.546 0.00123617 -3.54047 63.546000 Cu 0.999421 0.385344 1.22331e-16 701 63.546 0.000756416 -3.54052 63.546000 Cu 0.0799885 0.40019 0 702 63.546 0.000652105 -3.53983 63.546000 Cu 0.150294 0.397704 0.5 708 63.546 0.00184621 -3.53957 63.546000 Cu 0.090261 0.417593 0.5 732 63.546 0.00451669 -3.53818 63.546000 Cu 0.160296 0.415222 2.06081e-17 734 63.546 0.00354439 -3.53871 63.546000 Cu 0.169671 0.432841 0.5 737 63.546 0.00430556 -3.53773 63.546000 Cu 0.00958523 0.402778 0.5 704 63.546 0.000686832 -3.53997 63.546000 Cu 0.020055 0.420157 0 730 63.546 0.00256024 -3.53838 63.546000 Cu 0.220207 0.39529 1.2245e-16 706 63.546 0.00125737 -3.53918 63.546000 Cu 0.289848 0.392881 0.5 712 63.546 0.00024899 -3.53941 63.546000 Cu 0.239288 0.430624 0 735 63.546 0.00297726 -3.54121 63.546000 Cu 0.230063 0.412929 0.5 736 63.546 0.00142782 -3.53962 63.546000 Cu 0.299691 0.410568 0 738 63.546 0.00125091 -3.54048 63.546000 Cu 0.379549 0.425662 1.19814e-19 739 63.546 0.0069187 -3.5422 63.546000 Cu 0.369366 0.408072 0.5 740 63.546 0.00257599 -3.54066 63.546000 Cu 0.309315 0.428257 0.5 741 63.546 0.00871228 -3.54309 63.546000 Cu 0.439309 0.405443 3.59443e-19 742 63.546 0.00236516 -3.54045 63.546000 Cu 0.520055 0.420157 1.19814e-19 743 63.546 0.00256024 -3.53838 63.546000 Cu 0.509585 0.402778 0.5 744 63.546 0.000686832 -3.53997 63.546000 Cu 0.449803 0.422901 0.5 745 63.546 0.00168676 -3.54007 63.546000 Cu 0.579988 0.40019 0 746 63.546 0.000652105 -3.53983 63.546000 Cu 0.590261 0.417593 0.5 749 63.546 0.00451669 -3.53818 63.546000 Cu 0.799691 0.410568 6.17044e-17 695 63.546 0.00125091 -3.54048 63.546000 Cu 0.789848 0.392881 0.5 696 63.546 0.00024899 -3.53941 63.546000 Cu 0.660296 0.415222 0 747 63.546 0.00354439 -3.53871 63.546000 Cu 0.650294 0.397704 0.5 748 63.546 0.00184621 -3.53957 63.546000 Cu 0.720207 0.39529 0 750 63.546 0.00125737 -3.53918 63.546000 Cu 0.730063 0.412929 0.5 751 63.546 0.00142782 -3.53962 63.546000 Cu 0.669671 0.432841 0.5 776 63.546 0.00430556 -3.53773 63.546000 Cu 0.739288 0.430624 0 778 63.546 0.00297726 -3.54121 63.546000 Cu 0.809315 0.428257 0.5 725 63.546 0.00871228 -3.54309 63.546000 Cu 0.939309 0.405443 1.19814e-19 698 63.546 0.00236516 -3.54045 63.546000 Cu 0.869366 0.408072 0.5 700 63.546 0.00257599 -3.54066 63.546000 Cu 0.879549 0.425662 1.19814e-19 726 63.546 0.0069187 -3.5422 63.546000 Cu 0.949803 0.422901 0.5 728 63.546 0.00168676 -3.54007 63.546000 Cu 0.100322 0.435096 2.39629e-17 731 63.546 0.014391 -3.53448 63.546000 Cu 0.0309672 0.437571 0.5 733 63.546 0.0120678 -3.53492 63.546000 Cu 0.042493 0.455204 1.19814e-19 758 63.546 0.0399602 -3.52682 63.546000 Cu 0.11985 0.47132 3.64236e-17 759 63.546 0.0555271 -3.4992 63.546000 Cu 0.110032 0.452899 0.5 760 63.546 0.0320392 -3.52507 63.546000 Cu 0.0544201 0.473462 0.5 761 63.546 0.117153 -3.52275 63.546000 Cu 0.178121 0.45064 7.88379e-17 762 63.546 0.0175227 -3.53444 63.546000 Cu 0.185612 0.468718 0.5 765 63.546 0.153494 -3.50948 63.546000 Cu 0.255639 0.46578 0 763 63.546 0.0887196 -3.53612 63.546000 Cu 0.247669 0.448308 0.5 764 63.546 0.0208108 -3.5426 63.546000 Cu 0.318764 0.445748 0 766 63.546 0.0221694 -3.54446 63.546000 Cu 0.390281 0.443053 0.5 768 63.546 0.0133065 -3.54283 63.546000 Cu 0.328153 0.462797 0.5 769 63.546 0.0274025 -3.53714 63.546000 Cu 0.401577 0.460075 2.24053e-17 767 63.546 0.0248658 -3.53686 63.546000 Cu 0.412116 0.476767 0.5 791 63.546 0.0635276 -3.52883 63.546000 Cu 0.461125 0.440281 0 770 63.546 0.00466994 -3.53899 63.546000 Cu 0.542493 0.455204 0 771 63.546 0.0399602 -3.52682 63.546000 Cu 0.530967 0.437571 0.5 772 63.546 0.0120678 -3.53492 63.546000 Cu 0.473267 0.457626 0.5 773 63.546 0.0433793 -3.5377 63.546000 Cu 0.485428 0.47488 2.39629e-19 793 63.546 0.161991 -3.52351 63.546000 Cu 0.55442 0.473462 0.5 795 63.546 0.117153 -3.52275 63.546000 Cu 0.61985 0.47132 1.19814e-19 400 63.546 0.0555271 -3.4992 63.546000 Cu 0.600322 0.435096 1.77325e-17 774 63.546 0.014391 -3.53448 63.546000 Cu 0.610032 0.452899 0.5 777 63.546 0.0320392 -3.52507 63.546000 Cu 0.755639 0.46578 0 3 63.546 0.0887196 -3.53612 63.546000 Cu 0.685612 0.468718 0.5 11 63.546 0.153494 -3.50948 63.546000 Cu 0.678121 0.45064 0 775 63.546 0.0175227 -3.53444 63.546000 Cu 0.747669 0.448308 0.5 779 63.546 0.0208108 -3.5426 63.546000 Cu 0.818764 0.445748 1.32994e-16 724 63.546 0.0221694 -3.54446 63.546000 Cu 0.961125 0.440281 0 727 63.546 0.00466994 -3.53899 63.546000 Cu 0.890281 0.443053 0.5 729 63.546 0.0133065 -3.54283 63.546000 Cu 0.828153 0.462797 0.5 753 63.546 0.0274025 -3.53714 63.546000 Cu 0.901577 0.460075 0 754 63.546 0.0248658 -3.53686 63.546000 Cu 0.985428 0.47488 0 755 63.546 0.161991 -3.52351 63.546000 Cu 0.973267 0.457626 0.5 756 63.546 0.0433793 -3.5377 63.546000 Cu 0.912116 0.476767 0.5 757 63.546 0.0635276 -3.52883 63.546000 Cu 0.141323 0.510068 0 6 63.546 1.69474 -3.5026 63.546000 Cu 0.0678862 0.510096 0.5 7 63.546 0.252329 -3.5289 63.546000 Cu 0.0640866 0.491911 0 784 63.546 0.217574 -3.52848 63.546000 Cu 0.131714 0.491031 0.5 785 63.546 0.449694 -3.4657 63.546000 Cu 0.194071 0.487298 3.64236e-17 786 63.546 1.01457 -3.40645 63.546000 Cu 0.213994 0.510494 0.5 8 63.546 7.91525 -3.45544 63.546000 Cu 0.275894 0.521676 0 10 63.546 9.12314 -3.2833 63.546000 Cu 0.358764 0.510105 0 12 63.546 6.20955 -3.22202 63.546000 Cu 0.275204 0.498687 2.63592e-17 787 63.546 9.29073 -3.28789 63.546000 Cu 0.263474 0.482669 0.5 788 63.546 0.948843 -3.44468 63.546000 Cu 0.338404 0.479196 0 789 63.546 0.0397439 -3.51352 63.546000 Cu 0.346265 0.495234 0.5 792 63.546 4.39663 -3.43595 63.546000 Cu 0.422954 0.492984 3.59443e-19 790 63.546 0.382044 -3.49456 63.546000 Cu 0.426993 0.510106 0.5 14 63.546 0.475584 -3.51396 63.546000 Cu 0.496834 0.510103 4.22945e-17 16 63.546 0.118737 -3.5383 63.546000 Cu 0.567886 0.510096 0.5 18 63.546 0.252329 -3.5289 63.546000 Cu 0.564087 0.491911 3.59443e-19 794 63.546 0.217574 -3.52848 63.546000 Cu 0.493978 0.492444 0.5 796 63.546 0.171648 -3.53007 63.546000 Cu 0.763474 0.482669 0.5 1 63.546 0.948843 -3.44468 63.546000 Cu 0.631714 0.491031 0.5 9 63.546 0.449694 -3.4657 63.546000 Cu 0.641323 0.510068 1.19814e-19 20 63.546 1.69474 -3.5026 63.546000 Cu 0.713994 0.510494 0.5 22 63.546 7.91525 -3.45544 63.546000 Cu 0.694071 0.487298 3.59443e-19 394 63.546 1.01457 -3.40645 63.546000 Cu 0.775204 0.498687 4.33728e-17 780 63.546 9.29073 -3.28789 63.546000 Cu 0.775894 0.521676 1.19455e-16 24 63.546 9.12314 -3.2833 63.546000 Cu 0.996834 0.510103 6.60178e-17 4 63.546 0.118737 -3.5383 63.546000 Cu 0.858764 0.510105 4.61046e-16 2 63.546 6.20955 -3.22202 63.546000 Cu 0.926993 0.510106 0.5 5 63.546 0.475584 -3.51396 63.546000 Cu 0.838404 0.479196 6.73357e-17 752 63.546 0.0397439 -3.51352 63.546000 Cu 0.846265 0.495234 0.5 781 63.546 4.39663 -3.43595 63.546000 Cu 0.922954 0.492984 4.28936e-17 782 63.546 0.382044 -3.49456 63.546000 Cu 0.993978 0.492444 0.5 783 63.546 0.171648 -3.53007 63.546000 Cu 0.064205 0.528265 3.59443e-19 32 63.546 0.21749 -3.52873 63.546000 Cu 0.120169 0.548844 2.99536e-18 33 63.546 0.0517047 -3.5 63.546000 Cu 0.131722 0.529182 0.5 34 63.546 0.391956 -3.47138 63.546000 Cu 0.0547427 0.54674 0.5 35 63.546 0.11378 -3.52344 63.546000 Cu 0.0430782 0.564993 0 60 63.546 0.0414482 -3.52726 63.546000 Cu 0.1943 0.5328 0 36 63.546 0.889173 -3.41954 63.546000 Cu 0.185903 0.551434 0.5 37 63.546 0.159722 -3.50995 63.546000 Cu 0.346756 0.525034 0.5 15 63.546 4.32315 -3.4381 63.546000 Cu 0.256002 0.554367 1.2245e-16 38 63.546 0.0997189 -3.5354 63.546000 Cu 0.263792 0.537556 0.5 39 63.546 0.84388 -3.44656 63.546000 Cu 0.339012 0.54107 1.19814e-19 40 63.546 0.0448095 -3.51179 63.546000 Cu 0.328656 0.5574 0.5 43 63.546 0.0286835 -3.5359 63.546000 Cu 0.423244 0.527226 1.19814e-19 13 63.546 0.373044 -3.4968 63.546000 Cu 0.564205 0.528265 1.08073e-16 17 63.546 0.21749 -3.52873 63.546000 Cu 0.494172 0.527762 0.5 19 63.546 0.169988 -3.53075 63.546000 Cu 0.402175 0.560162 1.19814e-19 41 63.546 0.0258085 -3.53639 63.546000 Cu 0.412668 0.543468 0.5 42 63.546 0.0671522 -3.52927 63.546000 Cu 0.485808 0.545337 2.39629e-19 44 63.546 0.160339 -3.52463 63.546000 Cu 0.543078 0.564993 2.06081e-17 45 63.546 0.0414482 -3.52726 63.546000 Cu 0.554743 0.54674 0.5 46 63.546 0.11378 -3.52344 63.546000 Cu 0.473826 0.562598 0.5 47 63.546 0.0430176 -3.53776 63.546000 Cu 0.6943 0.5328 5.75109e-17 21 63.546 0.889173 -3.41954 63.546000 Cu 0.631722 0.529182 0.5 23 63.546 0.391956 -3.47138 63.546000 Cu 0.763792 0.537556 0.5 27 63.546 0.84388 -3.44656 63.546000 Cu 0.620169 0.548844 9.92064e-17 48 63.546 0.0517047 -3.5 63.546000 Cu 0.685903 0.551434 0.5 50 63.546 0.159722 -3.50995 63.546000 Cu 0.756002 0.554367 8.63862e-17 52 63.546 0.0997189 -3.5354 63.546000 Cu 0.985808 0.545337 3.59443e-19 29 63.546 0.160339 -3.52463 63.546000 Cu 0.994172 0.527762 0.5 30 63.546 0.169988 -3.53075 63.546000 Cu 0.839012 0.54107 1.86311e-16 25 63.546 0.0448095 -3.51179 63.546000 Cu 0.846756 0.525034 0.5 26 63.546 4.32315 -3.4381 63.546000 Cu 0.923244 0.527226 1.64385e-16 28 63.546 0.373044 -3.4968 63.546000 Cu 0.912668 0.543468 0.5 31 63.546 0.0671522 -3.52927 63.546000 Cu 0.828656 0.5574 0.5 54 63.546 0.0286835 -3.5359 63.546000 Cu 0.902175 0.560162 3.65434e-17 56 63.546 0.0258085 -3.53639 63.546000 Cu 0.973826 0.562598 0.5 58 63.546 0.0430176 -3.53776 63.546000 Cu 0.101075 0.585072 1.06635e-17 61 63.546 0.0154867 -3.53419 63.546000 Cu 0.110582 0.567276 0.5 62 63.546 0.0329038 -3.5247 63.546000 Cu 0.0317184 0.58261 0.5 63 63.546 0.0124099 -3.53459 63.546000 Cu 0.170406 0.587297 0.5 65 63.546 0.00415685 -3.53779 63.546000 Cu 0.0210054 0.599997 3.53453e-17 88 63.546 0.00257474 -3.53789 63.546000 Cu 0.0912066 0.602549 0.5 90 63.546 0.00440434 -3.53784 63.546000 Cu 0.161242 0.604913 0 92 63.546 0.00370525 -3.53868 63.546000 Cu 0.178655 0.569503 0 64 63.546 0.018109 -3.53417 63.546000 Cu 0.240056 0.589501 8.87825e-17 66 63.546 0.00353246 -3.5414 63.546000 Cu 0.248231 0.571821 0.5 67 63.546 0.0232093 -3.54249 63.546000 Cu 0.319365 0.574402 1.00764e-16 68 63.546 0.0248717 -3.54429 63.546000 Cu 0.310079 0.591878 0.5 71 63.546 0.00951035 -3.54318 63.546000 Cu 0.230978 0.607196 0.5 95 63.546 0.0011235 -3.53969 63.546000 Cu 0.380365 0.594502 0 69 63.546 0.00661465 -3.54244 63.546000 Cu 0.390941 0.577149 0.5 70 63.546 0.0124789 -3.54274 63.546000 Cu 0.461873 0.579925 0 72 63.546 0.00513873 -3.53877 63.546000 Cu 0.521005 0.599997 1.2245e-16 73 63.546 0.00257474 -3.53789 63.546000 Cu 0.531718 0.58261 0.5 74 63.546 0.0124099 -3.53459 63.546000 Cu 0.45072 0.59727 0.5 75 63.546 0.00170202 -3.54002 63.546000 Cu 0.591207 0.602549 0.5 79 63.546 0.00440434 -3.53784 63.546000 Cu 0.678655 0.569503 0 49 63.546 0.018109 -3.53417 63.546000 Cu 0.610582 0.567276 0.5 51 63.546 0.0329038 -3.5247 63.546000 Cu 0.748231 0.571821 0.5 55 63.546 0.0232093 -3.54249 63.546000 Cu 0.601075 0.585072 0 76 63.546 0.0154867 -3.53419 63.546000 Cu 0.661242 0.604913 3.59443e-19 77 63.546 0.00370525 -3.53868 63.546000 Cu 0.670406 0.587297 0.5 78 63.546 0.00415685 -3.53779 63.546000 Cu 0.740056 0.589501 2.39629e-19 80 63.546 0.00353246 -3.5414 63.546000 Cu 0.730978 0.607196 0.5 83 63.546 0.0011235 -3.53969 63.546000 Cu 0.819365 0.574402 0 53 63.546 0.0248717 -3.54429 63.546000 Cu 0.961873 0.579925 0 57 63.546 0.00513873 -3.53877 63.546000 Cu 0.890941 0.577149 0.5 59 63.546 0.0124789 -3.54274 63.546000 Cu 0.810079 0.591878 0.5 82 63.546 0.00951035 -3.54318 63.546000 Cu 0.880365 0.594502 1.19814e-19 84 63.546 0.00661465 -3.54244 63.546000 Cu 0.95072 0.59727 0.5 86 63.546 0.00170202 -3.54002 63.546000 Cu 0.0811722 0.619941 1.01004e-16 89 63.546 0.000734313 -3.53972 63.546000 Cu 0.0107975 0.617354 0.5 91 63.546 0.000415699 -3.53993 63.546000 Cu 0.151408 0.622418 0.5 93 63.546 0.0015549 -3.53954 63.546000 Cu 0.000800393 0.634778 0 116 63.546 0.000465474 -3.54059 63.546000 Cu 0.0711103 0.637361 0.5 118 63.546 0.000132755 -3.54036 63.546000 Cu 0.141364 0.639891 0 120 63.546 0.000417784 -3.53994 63.546000 Cu 0.22137 0.624816 0 94 63.546 0.0012227 -3.53924 63.546000 Cu 0.300624 0.609545 4.31332e-18 96 63.546 0.00144776 -3.54045 63.546000 Cu 0.360725 0.629658 3.42669e-17 97 63.546 0.000699123 -3.53987 63.546000 Cu 0.370378 0.612051 0.5 98 63.546 0.00289618 -3.54071 63.546000 Cu 0.291053 0.62721 0.5 99 63.546 0.000239939 -3.53926 63.546000 Cu 0.211442 0.642372 0.5 122 63.546 0.000669576 -3.53943 63.546000 Cu 0.281307 0.644819 1.2245e-16 124 63.546 0.000414865 -3.53916 63.546000 Cu 0.351074 0.647264 0.5 126 63.546 0.000114278 -3.53955 63.546000 Cu 0.440454 0.614693 0 100 63.546 0.00182747 -3.54043 63.546000 Cu 0.5008 0.634778 1.19814e-19 101 63.546 0.000465474 -3.54059 63.546000 Cu 0.510798 0.617354 0.5 102 63.546 0.000415699 -3.53993 63.546000 Cu 0.430635 0.632189 0.5 103 63.546 0.00112619 -3.54047 63.546000 Cu 0.57111 0.637361 0.5 107 63.546 0.000132755 -3.54036 63.546000 Cu 0.420932 0.649738 1.15022e-17 128 63.546 0.000317818 -3.54008 63.546000 Cu 0.581172 0.619941 2.39629e-19 104 63.546 0.000734313 -3.53972 63.546000 Cu 0.641364 0.639891 2.39629e-19 105 63.546 0.000417784 -3.53994 63.546000 Cu 0.651408 0.622418 0.5 106 63.546 0.0015549 -3.53954 63.546000 Cu 0.72137 0.624816 1.2269e-16 108 63.546 0.0012227 -3.53924 63.546000 Cu 0.711442 0.642372 0.5 111 63.546 0.000669576 -3.53943 63.546000 Cu 0.781307 0.644819 0 109 63.546 0.000414865 -3.53916 63.546000 Cu 0.791053 0.62721 0.5 110 63.546 0.000239939 -3.53926 63.546000 Cu 0.800624 0.609545 5.03221e-18 81 63.546 0.00144776 -3.54045 63.546000 Cu 0.940454 0.614693 5.52345e-17 85 63.546 0.00182747 -3.54043 63.546000 Cu 0.870378 0.612051 0.5 87 63.546 0.00289618 -3.54071 63.546000 Cu 0.860725 0.629658 0 112 63.546 0.000699123 -3.53987 63.546000 Cu 0.920932 0.649738 0 113 63.546 0.000317818 -3.54008 63.546000 Cu 0.930635 0.632189 0.5 114 63.546 0.00112619 -3.54047 63.546000 Cu 0.851074 0.647264 0.5 115 63.546 0.000114278 -3.53955 63.546000 Cu 0.0611254 0.654809 0 117 63.546 0.000133666 -3.54032 63.546000 Cu 0.131306 0.657359 0.5 123 63.546 8.09048e-05 -3.54012 63.546000 Cu 0.0411593 0.689822 0 145 63.546 0.000119917 -3.54012 63.546000 Cu 0.0511324 0.672301 0.5 146 63.546 0.000153821 -3.54027 63.546000 Cu 0.121241 0.674848 0 148 63.546 1.20555e-05 -3.54031 63.546000 Cu 0.1112 0.692348 0.5 151 63.546 6.30226e-05 -3.5402 63.546000 Cu 0.181292 0.694886 2.39629e-19 149 63.546 1.15101e-05 -3.54012 63.546000 Cu 0.191364 0.677385 0.5 150 63.546 8.57431e-05 -3.54008 63.546000 Cu 0.201392 0.65988 5.63128e-17 121 63.546 0.000181728 -3.53969 63.546000 Cu 0.341288 0.664831 4.27738e-17 125 63.546 9.97429e-05 -3.53951 63.546000 Cu 0.27136 0.662365 0.5 127 63.546 0.000144146 -3.53949 63.546000 Cu 0.261385 0.679897 0 152 63.546 0.000121424 -3.5399 63.546000 Cu 0.331333 0.682381 0.5 154 63.546 5.35471e-05 -3.53994 63.546000 Cu 0.481119 0.669779 3.87001e-17 129 63.546 0.000187891 -3.5402 63.546000 Cu 0.490955 0.652255 0.5 130 63.546 0.000424077 -3.54035 63.546000 Cu 0.411162 0.667294 0.5 131 63.546 7.39451e-05 -3.53982 63.546000 Cu 0.561125 0.654809 1.19814e-19 132 63.546 0.000133666 -3.54032 63.546000 Cu 0.551132 0.672301 0.5 135 63.546 0.000153821 -3.54027 63.546000 Cu 0.401249 0.68485 1.22331e-16 156 63.546 7.14106e-06 -3.54004 63.546000 Cu 0.471183 0.687326 0.5 158 63.546 4.82572e-05 -3.54013 63.546000 Cu 0.541159 0.689822 0 160 63.546 0.000119917 -3.54012 63.546000 Cu 0.621241 0.674848 0 133 63.546 1.20555e-05 -3.54031 63.546000 Cu 0.631306 0.657359 0.5 134 63.546 8.09048e-05 -3.54012 63.546000 Cu 0.701392 0.65988 4.06171e-17 136 63.546 0.000181728 -3.53969 63.546000 Cu 0.761385 0.679897 1.19814e-19 137 63.546 0.000121424 -3.5399 63.546000 Cu 0.77136 0.662365 0.5 138 63.546 0.000144146 -3.53949 63.546000 Cu 0.691364 0.677385 0.5 139 63.546 8.57431e-05 -3.54008 63.546000 Cu 0.6112 0.692348 0.5 162 63.546 6.30226e-05 -3.5402 63.546000 Cu 0.681292 0.694886 1.19814e-19 164 63.546 1.15101e-05 -3.54012 63.546000 Cu 0.990955 0.652255 0.5 119 63.546 0.000424077 -3.54035 63.546000 Cu 0.981119 0.669779 2.39629e-19 144 63.546 0.000187891 -3.5402 63.546000 Cu 0.841288 0.664831 2.39629e-19 140 63.546 9.97429e-05 -3.53951 63.546000 Cu 0.901249 0.68485 1.19814e-19 141 63.546 7.14106e-06 -3.54004 63.546000 Cu 0.911162 0.667294 0.5 142 63.546 7.39451e-05 -3.53982 63.546000 Cu 0.831333 0.682381 0.5 143 63.546 5.35471e-05 -3.53994 63.546000 Cu 0.971183 0.687326 0.5 147 63.546 4.82572e-05 -3.54013 63.546000 Cu 0.0211811 0.724908 2.39629e-19 173 63.546 2.77788e-05 -3.53994 63.546000 Cu 0.0311897 0.707364 0.5 174 63.546 3.84174e-05 -3.54006 63.546000 Cu 0.101189 0.70987 1.2269e-16 176 63.546 6.21033e-05 -3.54022 63.546000 Cu 0.161133 0.729922 2.39629e-19 177 63.546 1.65959e-05 -3.54003 63.546000 Cu 0.171227 0.712399 0.5 178 63.546 2.1244e-05 -3.54015 63.546000 Cu 0.0911588 0.72741 0.5 179 63.546 2.82068e-05 -3.54006 63.546000 Cu 0.321325 0.699924 0 153 63.546 9.75299e-05 -3.5398 63.546000 Cu 0.25135 0.697418 0.5 155 63.546 7.99897e-05 -3.53982 63.546000 Cu 0.241248 0.714925 2.03685e-17 180 63.546 6.26407e-06 -3.53991 63.546000 Cu 0.301175 0.734962 1.06635e-17 181 63.546 1.45526e-05 -3.54015 63.546000 Cu 0.311273 0.717442 0.5 182 63.546 3.15047e-05 -3.53969 63.546000 Cu 0.231157 0.732443 0.5 183 63.546 1.76597e-06 -3.54012 63.546000 Cu 0.371193 0.737471 0.5 187 63.546 4.15081e-05 -3.54013 63.546000 Cu 0.391291 0.702407 0.5 159 63.546 6.02805e-05 -3.53989 63.546000 Cu 0.381249 0.719939 3.6184e-17 184 63.546 2.54354e-05 -3.53968 63.546000 Cu 0.461222 0.704881 0 157 63.546 8.01184e-06 -3.53991 63.546000 Cu 0.53119 0.707364 0.5 163 63.546 3.84174e-05 -3.54006 63.546000 Cu 0.45124 0.722424 0.5 186 63.546 3.67903e-05 -3.53971 63.546000 Cu 0.521181 0.724908 1.82118e-17 188 63.546 2.77788e-05 -3.53994 63.546000 Cu 0.591159 0.72741 0.5 190 63.546 2.82068e-05 -3.54006 63.546000 Cu 0.601189 0.70987 1.49768e-17 161 63.546 6.21033e-05 -3.54022 63.546000 Cu 0.741248 0.714925 0 165 63.546 6.26407e-06 -3.53991 63.546000 Cu 0.75135 0.697418 0.5 166 63.546 7.99897e-05 -3.53982 63.546000 Cu 0.671227 0.712399 0.5 167 63.546 2.1244e-05 -3.54015 63.546000 Cu 0.661133 0.729922 4.21747e-17 192 63.546 1.65959e-05 -3.54003 63.546000 Cu 0.731157 0.732443 0.5 194 63.546 1.76597e-06 -3.54012 63.546000 Cu 0.821325 0.699924 1.19814e-19 168 63.546 9.75299e-05 -3.5398 63.546000 Cu 0.881249 0.719939 1.2269e-16 169 63.546 2.54354e-05 -3.53968 63.546000 Cu 0.891291 0.702407 0.5 170 63.546 6.02805e-05 -3.53989 63.546000 Cu 0.811273 0.717442 0.5 171 63.546 3.15047e-05 -3.53969 63.546000 Cu 0.961222 0.704881 0 172 63.546 8.01184e-06 -3.53991 63.546000 Cu 0.95124 0.722424 0.5 175 63.546 3.67903e-05 -3.53971 63.546000 Cu 0.801175 0.734962 0 196 63.546 1.45526e-05 -3.54015 63.546000 Cu 0.871193 0.737471 0.5 198 63.546 4.15081e-05 -3.54013 63.546000 Cu 0.000984554 0.760011 3.59443e-19 201 63.546 2.43158e-05 -3.53996 63.546000 Cu 0.0110899 0.742459 0.5 202 63.546 5.2728e-06 -3.54014 63.546000 Cu 0.0810667 0.744949 3.59443e-19 204 63.546 1.75163e-05 -3.53998 63.546000 Cu 0.140941 0.764981 2.39629e-19 205 63.546 2.68606e-05 -3.54002 63.546000 Cu 0.151035 0.747447 0.5 206 63.546 3.15474e-05 -3.53996 63.546000 Cu 0.0709364 0.762489 0.5 207 63.546 2.74163e-05 -3.53989 63.546000 Cu 0.0608812 0.780028 3.59443e-19 232 63.546 1.60326e-05 -3.53975 63.546000 Cu 0.130847 0.782518 0.5 234 63.546 3.76367e-05 -3.53985 63.546000 Cu 0.21093 0.767494 0.5 208 63.546 3.20797e-05 -3.54013 63.546000 Cu 0.221064 0.749968 0 209 63.546 7.97686e-06 -3.54006 63.546000 Cu 0.280957 0.770028 4.80456e-17 210 63.546 4.58351e-06 -3.54022 63.546000 Cu 0.291072 0.752495 0.5 211 63.546 8.24136e-06 -3.54018 63.546000 Cu 0.361079 0.75502 1.2257e-16 212 63.546 5.3653e-05 -3.54001 63.546000 Cu 0.350952 0.772554 0.5 215 63.546 2.68756e-05 -3.53997 63.546000 Cu 0.441149 0.739968 1.28201e-17 185 63.546 1.41591e-05 -3.54005 63.546000 Cu 0.51109 0.742459 0.5 191 63.546 5.2728e-06 -3.54014 63.546000 Cu 0.420944 0.77506 3.53453e-17 213 63.546 1.76258e-05 -3.53992 63.546000 Cu 0.430998 0.757523 0.5 214 63.546 5.98839e-05 -3.53993 63.546000 Cu 0.500985 0.760011 4.68474e-17 216 63.546 2.43158e-05 -3.53996 63.546000 Cu 0.560881 0.780028 0 217 63.546 1.60326e-05 -3.53975 63.546000 Cu 0.570936 0.762489 0.5 218 63.546 2.74163e-05 -3.53989 63.546000 Cu 0.490929 0.777548 0.5 219 63.546 4.88199e-06 -3.53982 63.546000 Cu 0.581067 0.744949 0 189 63.546 1.75163e-05 -3.53998 63.546000 Cu 0.721064 0.749968 1.19814e-19 193 63.546 7.97686e-06 -3.54006 63.546000 Cu 0.651035 0.747447 0.5 195 63.546 3.15474e-05 -3.53996 63.546000 Cu 0.640941 0.764981 3.52254e-17 220 63.546 2.68606e-05 -3.54002 63.546000 Cu 0.71093 0.767494 0.5 222 63.546 3.20797e-05 -3.54013 63.546000 Cu 0.630847 0.782518 0.5 223 63.546 3.76367e-05 -3.53985 63.546000 Cu 0.791072 0.752495 0.5 199 63.546 8.24136e-06 -3.54018 63.546000 Cu 0.780957 0.770028 3.59443e-19 224 63.546 4.58351e-06 -3.54022 63.546000 Cu 0.990929 0.777548 0.5 230 63.546 4.88199e-06 -3.53982 63.546000 Cu 0.861079 0.75502 3.59443e-19 197 63.546 5.3653e-05 -3.54001 63.546000 Cu 0.941149 0.739968 1.2281e-16 200 63.546 1.41591e-05 -3.54005 63.546000 Cu 0.930998 0.757523 0.5 203 63.546 5.98839e-05 -3.53993 63.546000 Cu 0.850952 0.772554 0.5 226 63.546 2.68756e-05 -3.53997 63.546000 Cu 0.920944 0.77506 2.39629e-19 228 63.546 1.76258e-05 -3.53992 63.546000 Cu 0.120776 0.800062 2.39629e-19 233 63.546 3.44666e-05 -3.53981 63.546000 Cu 0.0508658 0.797573 0.5 235 63.546 2.51862e-05 -3.53975 63.546000 Cu 0.040788 0.815127 0 260 63.546 1.05432e-05 -3.53982 63.546000 Cu 0.110683 0.817617 0.5 262 63.546 3.00799e-05 -3.53979 63.546000 Cu 0.190746 0.80257 0.5 237 63.546 3.64178e-05 -3.54007 63.546000 Cu 0.18065 0.820109 9.34553e-18 264 63.546 5.29071e-05 -3.54004 63.546000 Cu 0.200823 0.785034 7.04509e-17 236 63.546 2.54482e-05 -3.54007 63.546000 Cu 0.260786 0.805092 0 238 63.546 7.06725e-06 -3.54017 63.546000 Cu 0.270847 0.787567 0.5 239 63.546 2.01867e-05 -3.54017 63.546000 Cu 0.340888 0.790092 1.2245e-16 240 63.546 3.04562e-05 -3.54006 63.546000 Cu 0.330848 0.807617 0.5 243 63.546 9.3541e-06 -3.54015 63.546000 Cu 0.250702 0.822619 0.5 267 63.546 1.7895e-05 -3.54017 63.546000 Cu 0.320801 0.825147 8.51881e-17 268 63.546 4.31096e-05 -3.54021 63.546000 Cu 0.400882 0.810133 2.45021e-16 241 63.546 3.26869e-05 -3.53995 63.546000 Cu 0.41092 0.792603 0.5 242 63.546 4.2273e-05 -3.53995 63.546000 Cu 0.480901 0.795091 2.39629e-19 244 63.546 1.07843e-05 -3.53985 63.546000 Cu 0.540788 0.815127 1.2293e-16 245 63.546 1.05432e-05 -3.53982 63.546000 Cu 0.550866 0.797573 0.5 246 63.546 2.51862e-05 -3.53975 63.546000 Cu 0.470864 0.812634 0.5 247 63.546 3.626e-05 -3.5399 63.546000 Cu 0.700823 0.785034 1.2269e-16 221 63.546 2.54482e-05 -3.54007 63.546000 Cu 0.770847 0.787567 0.5 227 63.546 2.01867e-05 -3.54017 63.546000 Cu 0.620776 0.800062 1.19814e-19 248 63.546 3.44666e-05 -3.53981 63.546000 Cu 0.68065 0.820109 3.59443e-19 249 63.546 5.29071e-05 -3.54004 63.546000 Cu 0.690746 0.80257 0.5 250 63.546 3.64178e-05 -3.54007 63.546000 Cu 0.610683 0.817617 0.5 251 63.546 3.00799e-05 -3.53979 63.546000 Cu 0.760786 0.805092 2.39629e-19 252 63.546 7.06725e-06 -3.54017 63.546000 Cu 0.750702 0.822619 0.5 255 63.546 1.7895e-05 -3.54017 63.546000 Cu 0.980901 0.795091 1.19814e-19 229 63.546 1.07843e-05 -3.53985 63.546000 Cu 0.840888 0.790092 6.70961e-17 225 63.546 3.04562e-05 -3.54006 63.546000 Cu 0.91092 0.792603 0.5 231 63.546 4.2273e-05 -3.53995 63.546000 Cu 0.820801 0.825147 3.59443e-19 253 63.546 4.31096e-05 -3.54021 63.546000 Cu 0.830848 0.807617 0.5 254 63.546 9.3541e-06 -3.54015 63.546000 Cu 0.900882 0.810133 2.39629e-19 256 63.546 3.26869e-05 -3.53995 63.546000 Cu 0.970864 0.812634 0.5 258 63.546 3.626e-05 -3.5399 63.546000 Cu 0.100605 0.83517 1.2257e-16 261 63.546 8.79941e-05 -3.5397 63.546000 Cu 0.0307085 0.832697 0.5 263 63.546 4.35875e-05 -3.54 63.546000 Cu 0.170576 0.837643 0.5 265 63.546 0.000104389 -3.53975 63.546000 Cu 0.0207329 0.85027 0 288 63.546 0.000171849 -3.5402 63.546000 Cu 0.0906507 0.852735 0.5 290 63.546 2.71716e-05 -3.53983 63.546000 Cu 0.0107952 0.867826 0.5 291 63.546 0.000519426 -3.5404 63.546000 Cu 0.160582 0.855189 2.4514e-16 292 63.546 0.000159309 -3.53972 63.546000 Cu 0.240609 0.840137 9.56119e-17 266 63.546 8.42795e-05 -3.53975 63.546000 Cu 0.310666 0.842657 0.5 271 63.546 6.35069e-05 -3.53995 63.546000 Cu 0.230519 0.857663 0.5 295 63.546 0.000299865 -3.53942 63.546000 Cu 0.30046 0.860177 2.39629e-19 296 63.546 0.00016678 -3.53958 63.546000 Cu 0.370497 0.862727 0.5 298 63.546 8.20007e-05 -3.54011 63.546000 Cu 0.380727 0.84521 2.39629e-19 269 63.546 7.5524e-05 -3.54023 63.546000 Cu 0.390848 0.827677 0.5 270 63.546 0.000102018 -3.54019 63.546000 Cu 0.460793 0.830197 3.3548e-17 272 63.546 4.91916e-05 -3.54026 63.546000 Cu 0.520733 0.85027 1.2281e-16 273 63.546 0.000171849 -3.5402 63.546000 Cu 0.530708 0.832697 0.5 274 63.546 4.35875e-05 -3.54 63.546000 Cu 0.450744 0.847765 0.5 275 63.546 0.000280406 -3.54047 63.546000 Cu 0.440632 0.865291 6.3262e-17 300 63.546 0.000325974 -3.54052 63.546000 Cu 0.510795 0.867826 0.5 302 63.546 0.000519426 -3.5404 63.546000 Cu 0.590651 0.852735 0.5 279 63.546 2.71716e-05 -3.53983 63.546000 Cu 0.600605 0.83517 3.63038e-17 276 63.546 8.79941e-05 -3.5397 63.546000 Cu 0.660582 0.855189 3.59443e-19 277 63.546 0.000159309 -3.53972 63.546000 Cu 0.670576 0.837643 0.5 278 63.546 0.000104389 -3.53975 63.546000 Cu 0.740609 0.840137 1.2269e-16 280 63.546 8.42795e-05 -3.53975 63.546000 Cu 0.730519 0.857663 0.5 283 63.546 0.000299865 -3.53942 63.546000 Cu 0.960793 0.830197 0 257 63.546 4.91916e-05 -3.54026 63.546000 Cu 0.890848 0.827677 0.5 259 63.546 0.000102018 -3.54019 63.546000 Cu 0.80046 0.860177 1.2257e-16 281 63.546 0.00016678 -3.53958 63.546000 Cu 0.810666 0.842657 0.5 282 63.546 6.35069e-05 -3.53995 63.546000 Cu 0.880727 0.84521 0 284 63.546 7.5524e-05 -3.54023 63.546000 Cu 0.940632 0.865291 5.811e-17 285 63.546 0.000325974 -3.54052 63.546000 Cu 0.950744 0.847765 0.5 286 63.546 0.000280406 -3.54047 63.546000 Cu 0.870497 0.862727 0.5 287 63.546 8.20007e-05 -3.54011 63.546000 Cu 0.0807983 0.870311 1.2257e-16 289 63.546 0.000191604 -3.54011 63.546000 Cu 0.150683 0.872776 0.5 293 63.546 0.00018583 -3.53975 63.546000 Cu 0.000824437 0.885333 1.19814e-19 316 63.546 0.000757131 -3.54053 63.546000 Cu 0.0609107 0.905435 1.2269e-16 317 63.546 0.00228227 -3.54046 63.546000 Cu 0.0709486 0.88789 0.5 318 63.546 0.00114533 -3.5405 63.546000 Cu 0.140764 0.890407 1.2269e-16 320 63.546 0.000427503 -3.53992 63.546000 Cu 0.130853 0.908061 0.5 323 63.546 0.00251885 -3.54068 63.546000 Cu 0.220424 0.875233 4.517e-17 294 63.546 0.00037379 -3.53926 63.546000 Cu 0.36021 0.880211 5.34372e-17 297 63.546 0.000533323 -3.53994 63.546000 Cu 0.290203 0.877706 0.5 299 63.546 0.000681746 -3.53926 63.546000 Cu 0.200538 0.910559 1.2281e-16 321 63.546 0.00126155 -3.54048 63.546000 Cu 0.210367 0.89287 0.5 322 63.546 0.000294437 -3.53937 63.546000 Cu 0.280036 0.895282 2.22855e-17 324 63.546 0.00122059 -3.53922 63.546000 Cu 0.349973 0.897696 0.5 326 63.546 0.00169032 -3.5396 63.546000 Cu 0.270168 0.912916 0.5 327 63.546 0.00138969 -3.53962 63.546000 Cu 0.500824 0.885333 7.38057e-17 301 63.546 0.000757131 -3.54053 63.546000 Cu 0.430511 0.882761 0.5 303 63.546 0.000130393 -3.54047 63.546000 Cu 0.570949 0.88789 0.5 307 63.546 0.00114533 -3.5405 63.546000 Cu 0.420269 0.900185 1.2281e-16 328 63.546 0.00059702 -3.53982 63.546000 Cu 0.490652 0.902775 0.5 330 63.546 0.000674192 -3.53996 63.546000 Cu 0.560911 0.905435 5.04419e-17 332 63.546 0.00228227 -3.54046 63.546000 Cu 0.580798 0.870311 3.59443e-19 304 63.546 0.000191604 -3.54011 63.546000 Cu 0.640764 0.890407 9.20175e-17 305 63.546 0.000427503 -3.53992 63.546000 Cu 0.650683 0.872776 0.5 306 63.546 0.00018583 -3.53975 63.546000 Cu 0.720424 0.875233 1.34192e-16 308 63.546 0.00037379 -3.53926 63.546000 Cu 0.710367 0.89287 0.5 311 63.546 0.000294437 -3.53937 63.546000 Cu 0.630853 0.908061 0.5 334 63.546 0.00251885 -3.54068 63.546000 Cu 0.700538 0.910559 8.75844e-17 336 63.546 0.00126155 -3.54048 63.546000 Cu 0.770168 0.912916 0.5 338 63.546 0.00138969 -3.53962 63.546000 Cu 0.780036 0.895282 1.5504e-16 309 63.546 0.00122059 -3.53922 63.546000 Cu 0.790203 0.877706 0.5 310 63.546 0.000681746 -3.53926 63.546000 Cu 0.990652 0.902775 0.5 319 63.546 0.000674192 -3.53996 63.546000 Cu 0.86021 0.880211 8.33908e-17 312 63.546 0.000533323 -3.53994 63.546000 Cu 0.920269 0.900185 1.2245e-16 313 63.546 0.00059702 -3.53982 63.546000 Cu 0.930511 0.882761 0.5 314 63.546 0.000130393 -3.54047 63.546000 Cu 0.849973 0.897696 0.5 315 63.546 0.00169032 -3.5396 63.546000 Cu 0.0390968 0.940281 3.88199e-17 345 63.546 0.0045819 -3.53892 63.546000 Cu 0.0504099 0.922896 0.5 346 63.546 0.00162369 -3.54004 63.546000 Cu 0.120658 0.925652 7.38057e-17 348 63.546 0.00667109 -3.54222 63.546000 Cu 0.109927 0.943044 0.5 351 63.546 0.0129716 -3.54282 63.546000 Cu 0.181425 0.945737 3.59443e-19 349 63.546 0.0216699 -3.54447 63.546000 Cu 0.190905 0.928245 0.5 350 63.546 0.00846887 -3.5431 63.546000 Cu 0.339943 0.915213 6.7815e-17 325 63.546 0.00354434 -3.53877 63.546000 Cu 0.260926 0.930614 1.39105e-16 352 63.546 0.00285772 -3.5412 63.546000 Cu 0.322036 0.950634 3.6783e-17 353 63.546 0.0171805 -3.53444 63.546000 Cu 0.330533 0.932834 0.5 354 63.546 0.00428485 -3.53778 63.546000 Cu 0.252496 0.9483 0.5 355 63.546 0.0205668 -3.54259 63.546000 Cu 0.399883 0.935096 1.2281e-16 356 63.546 0.0140544 -3.5345 63.546000 Cu 0.39014 0.952892 0.5 359 63.546 0.032226 -3.52508 63.546000 Cu 0.480174 0.920158 4.75663e-17 329 63.546 0.00237869 -3.53839 63.546000 Cu 0.409982 0.917593 0.5 331 63.546 0.00425573 -3.53825 63.546000 Cu 0.55041 0.922896 0.5 335 63.546 0.00162369 -3.54004 63.546000 Cu 0.457687 0.955198 3.59443e-19 357 63.546 0.0400957 -3.52678 63.546000 Cu 0.469257 0.937573 0.5 358 63.546 0.0116129 -3.53486 63.546000 Cu 0.539097 0.940281 1.10589e-16 360 63.546 0.0045819 -3.53892 63.546000 Cu 0.620658 0.925652 8.19531e-17 333 63.546 0.00667109 -3.54222 63.546000 Cu 0.760926 0.930614 1.62948e-17 337 63.546 0.00285772 -3.5412 63.546000 Cu 0.690905 0.928245 0.5 339 63.546 0.00846887 -3.5431 63.546000 Cu 0.609927 0.943044 0.5 362 63.546 0.0129716 -3.54282 63.546000 Cu 0.681425 0.945737 1.2269e-16 364 63.546 0.0216699 -3.54447 63.546000 Cu 0.752496 0.9483 0.5 366 63.546 0.0205668 -3.54259 63.546000 Cu 0.980174 0.920158 1.30598e-16 344 63.546 0.00237869 -3.53839 63.546000 Cu 0.839943 0.915213 1.83316e-16 340 63.546 0.00354434 -3.53877 63.546000 Cu 0.899883 0.935096 9.20175e-17 341 63.546 0.0140544 -3.5345 63.546000 Cu 0.909982 0.917593 0.5 342 63.546 0.00425573 -3.53825 63.546000 Cu 0.830533 0.932834 0.5 343 63.546 0.00428485 -3.53778 63.546000 Cu 0.969257 0.937573 0.5 347 63.546 0.0116129 -3.53486 63.546000 Cu 0.822036 0.950634 1.47132e-16 368 63.546 0.0171805 -3.53444 63.546000 Cu 0.89014 0.952892 0.5 370 63.546 0.032226 -3.52508 63.546000 Cu 0.957687 0.955198 0 372 63.546 0.0400957 -3.52678 63.546000 Cu 0.153874 0.995235 0.5 409 63.546 4.40815 -3.43638 63.546000 Cu 0.014716 0.974877 3.59443e-19 373 63.546 0.161461 -3.52325 63.546000 Cu 0.0269336 0.957623 0.5 374 63.546 0.0424597 -3.53766 63.546000 Cu 0.0986179 0.960073 0 376 63.546 0.0242839 -3.53699 63.546000 Cu 0.161731 0.979203 1.23289e-16 377 63.546 0.0394086 -3.51352 63.546000 Cu 0.172 0.962792 0.5 378 63.546 0.0270752 -3.53748 63.546000 Cu 0.0880301 0.976771 0.5 379 63.546 0.0633535 -3.52875 63.546000 Cu 0.00610419 0.99244 0.5 398 63.546 0.172638 -3.53001 63.546000 Cu 0.0771304 0.992982 0 399 63.546 0.384548 -3.49424 63.546000 Cu 0.224971 0.998679 5.99072e-19 408 63.546 9.29568 -3.28894 63.546000 Cu 0.244494 0.965771 1.2293e-16 380 63.546 0.0873655 -3.53646 63.546000 Cu 0.306006 0.987285 0 381 63.546 1.01904 -3.40554 63.546000 Cu 0.314527 0.968707 0.5 382 63.546 0.153515 -3.50977 63.546000 Cu 0.236629 0.982668 0.5 383 63.546 0.952318 -3.44438 63.546000 Cu 0.368385 0.991022 0.5 387 63.546 0.451123 -3.46553 63.546000 Cu 0.380288 0.971308 0 384 63.546 0.0558223 -3.4993 63.546000 Cu 0.526934 0.957623 0.5 363 63.546 0.0424597 -3.53766 63.546000 Cu 0.436 0.991898 3.59443e-19 385 63.546 0.217172 -3.52822 63.546000 Cu 0.445726 0.973454 0.5 386 63.546 0.116633 -3.52261 63.546000 Cu 0.514716 0.974877 0 388 63.546 0.161461 -3.52325 63.546000 Cu 0.506104 0.99244 0.5 391 63.546 0.172638 -3.53001 63.546000 Cu 0.598618 0.960073 8.53079e-17 361 63.546 0.0242839 -3.53699 63.546000 Cu 0.57713 0.992982 1.19814e-19 389 63.546 0.384548 -3.49424 63.546000 Cu 0.58803 0.976771 0.5 390 63.546 0.0633535 -3.52875 63.546000 Cu 0.724971 0.998679 1.2257e-16 401 63.546 9.29568 -3.28894 63.546000 Cu 0.653874 0.995235 0.5 436 63.546 4.40815 -3.43638 63.546000 Cu 0.744494 0.965771 1.28441e-16 365 63.546 0.0873655 -3.53646 63.546000 Cu 0.672 0.962792 0.5 367 63.546 0.0270752 -3.53748 63.546000 Cu 0.661731 0.979203 1.22331e-16 392 63.546 0.0394086 -3.51352 63.546000 Cu 0.736629 0.982668 0.5 393 63.546 0.952318 -3.44438 63.546000 Cu 0.880288 0.971308 2.50412e-17 369 63.546 0.0558223 -3.4993 63.546000 Cu 0.814527 0.968707 0.5 371 63.546 0.153515 -3.50977 63.546000 Cu 0.945726 0.973454 0.5 375 63.546 0.116633 -3.52261 63.546000 Cu 0.806006 0.987285 8.38701e-19 395 63.546 1.01904 -3.40554 63.546000 Cu 0.868385 0.991022 0.5 396 63.546 0.451123 -3.46553 63.546000 Cu 0.936 0.991898 0 397 63.546 0.217172 -3.52822