Number of particles = 796 A = 1 Angstrom (basic length-scale) H0(1,1) = 25.3744 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 101.413 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.59446 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 0.055304 0.0331922 1 423 63.546 0.736751 -3.40498 63.546000 Cu 0.0364582 0.0117826 0.5 424 63.546 7.17045 -3.36154 63.546000 Cu 0.108792 0.00993095 1 426 63.546 1.89561 -3.45684 63.546000 Cu 0.118467 0.029293 0.5 429 63.546 0.374544 -3.45059 63.546000 Cu 0.186061 0.0283106 1 427 63.546 0.210797 -3.50263 63.546000 Cu 0.182339 0.00998054 0.5 428 63.546 0.285615 -3.50283 63.546000 Cu 0.253429 0.00999 4.92021e-16 430 63.546 0.130713 -3.51545 63.546000 Cu 0.326666 0.0271379 4.88642e-16 431 63.546 0.312746 -3.47716 63.546000 Cu 0.323303 0.00999918 0.5 432 63.546 0.439609 -3.49354 63.546000 Cu 0.255892 0.027709 0.5 433 63.546 0.166299 -3.50883 63.546000 Cu 0.391591 0.0100457 7.13008e-15 434 63.546 5.98738 -3.20044 63.546000 Cu 0.473457 0.0219937 1.21883e-15 435 63.546 8.77962 -3.2586 63.546000 Cu 0.402192 0.0251666 0.5 437 63.546 4.15444 -3.40763 63.546000 Cu 0.484944 0.0379733 0.5 464 63.546 0.666365 -3.42952 63.546000 Cu 0.608792 0.00993095 8.43843e-16 402 63.546 1.89561 -3.45684 63.546000 Cu 0.536458 0.0117826 0.5 403 63.546 7.17045 -3.36154 63.546000 Cu 0.555304 0.0331922 1.69517e-16 410 63.546 0.736751 -3.40498 63.546000 Cu 0.618467 0.029293 0.5 412 63.546 0.374544 -3.45059 63.546000 Cu 0.682339 0.00998054 0.5 405 63.546 0.285615 -3.50283 63.546000 Cu 0.686061 0.0283106 1 414 63.546 0.210797 -3.50263 63.546000 Cu 0.753429 0.00999 1 404 63.546 0.130713 -3.51545 63.546000 Cu 0.823303 0.00999918 0.5 407 63.546 0.439609 -3.49354 63.546000 Cu 0.755892 0.027709 0.5 416 63.546 0.166299 -3.50883 63.546000 Cu 0.826666 0.0271379 1 418 63.546 0.312746 -3.47716 63.546000 Cu 0.891591 0.0100457 1 406 63.546 5.98738 -3.20044 63.546000 Cu 0.902192 0.0251666 0.5 420 63.546 4.15444 -3.40763 63.546000 Cu 0.973457 0.0219937 1 422 63.546 8.77962 -3.2586 63.546000 Cu 0.984944 0.0379733 0.5 425 63.546 0.666365 -3.42952 63.546000 Cu 0.0709086 0.0696883 1 451 63.546 0.0165537 -3.51208 63.546000 Cu 0.0635891 0.0517098 0.5 452 63.546 0.161613 -3.48882 63.546000 Cu 0.129911 0.0490406 1 454 63.546 0.0580389 -3.4774 63.546000 Cu 0.139299 0.067436 0.5 457 63.546 0.0287821 -3.50318 63.546000 Cu 0.00100091 0.0720526 0.5 453 63.546 0.0216139 -3.51949 63.546000 Cu 0.206861 0.0651351 0 455 63.546 0.0344198 -3.50475 63.546000 Cu 0.195497 0.0468554 0.5 456 63.546 0.0969565 -3.49696 63.546000 Cu 0.264156 0.045397 2.46493e-16 458 63.546 0.140639 -3.50333 63.546000 Cu 0.275873 0.0627679 0.5 461 63.546 0.0375668 -3.51306 63.546000 Cu 0.347112 0.0603484 1 459 63.546 0.0241873 -3.51396 63.546000 Cu 0.336575 0.0435629 0.5 460 63.546 0.0680786 -3.50491 63.546000 Cu 0.409992 0.0412562 1.78348e-15 462 63.546 0.0374875 -3.4946 63.546000 Cu 0.492979 0.054689 1.06415e-16 463 63.546 0.0804428 -3.51039 63.546000 Cu 0.420163 0.0576719 0.5 465 63.546 0.020846 -3.51234 63.546000 Cu 0.429769 0.0746791 1 491 63.546 0.0183851 -3.52004 63.546000 Cu 0.501001 0.0720526 0.5 493 63.546 0.0216139 -3.51949 63.546000 Cu 0.629911 0.0490406 4.94796e-16 411 63.546 0.0580389 -3.4774 63.546000 Cu 0.563589 0.0517098 0.5 413 63.546 0.161613 -3.48882 63.546000 Cu 0.570909 0.0696883 1 438 63.546 0.0165537 -3.51208 63.546000 Cu 0.639299 0.067436 0.5 440 63.546 0.0287821 -3.50318 63.546000 Cu 0.764156 0.045397 1 415 63.546 0.140639 -3.50333 63.546000 Cu 0.695497 0.0468554 0.5 417 63.546 0.0969565 -3.49696 63.546000 Cu 0.706861 0.0651351 1 442 63.546 0.0344198 -3.50475 63.546000 Cu 0.775873 0.0627679 0.5 444 63.546 0.0375668 -3.51306 63.546000 Cu 0.836575 0.0435629 0.5 421 63.546 0.0680786 -3.50491 63.546000 Cu 0.847112 0.0603484 1 446 63.546 0.0241873 -3.51396 63.546000 Cu 0.909992 0.0412562 1 419 63.546 0.0374875 -3.4946 63.546000 Cu 0.929769 0.0746791 1 447 63.546 0.0183851 -3.52004 63.546000 Cu 0.920163 0.0576719 0.5 448 63.546 0.020846 -3.51234 63.546000 Cu 0.992979 0.054689 1 450 63.546 0.0804428 -3.51039 63.546000 Cu 0.0884861 0.105046 1 480 63.546 0.00230591 -3.51592 63.546000 Cu 0.0792374 0.0874431 0.5 481 63.546 0.00272636 -3.5154 63.546000 Cu 0.148619 0.0852121 6.72517e-16 483 63.546 0.0116051 -3.51211 63.546000 Cu 0.158422 0.102706 0.5 486 63.546 0.00345405 -3.51525 63.546000 Cu 0.00948004 0.0896865 6.16655e-16 479 63.546 0.00399395 -3.51835 63.546000 Cu 0.0187436 0.107347 0.5 482 63.546 0.000952586 -3.51684 63.546000 Cu 0.228493 0.100201 2.43235e-16 484 63.546 0.00248698 -3.51533 63.546000 Cu 0.21793 0.0827848 0.5 485 63.546 0.0111172 -3.51187 63.546000 Cu 0.287626 0.0801396 2.46855e-16 487 63.546 0.00458699 -3.51574 63.546000 Cu 0.298673 0.0975137 0.5 490 63.546 0.000860109 -3.51681 63.546000 Cu 0.309041 0.114936 1 517 63.546 0.00109264 -3.51727 63.546000 Cu 0.368981 0.0947712 1 488 63.546 0.0038568 -3.51883 63.546000 Cu 0.35833 0.0774082 0.5 489 63.546 0.00884216 -3.51874 63.546000 Cu 0.439352 0.0921236 0.5 494 63.546 0.00743364 -3.51962 63.546000 Cu 0.379136 0.11229 0.5 519 63.546 0.00192027 -3.5177 63.546000 Cu 0.449018 0.109747 1 521 63.546 0.00139822 -3.51768 63.546000 Cu 0.50948 0.0896865 1 492 63.546 0.00399395 -3.51835 63.546000 Cu 0.518744 0.107347 0.5 522 63.546 0.000952586 -3.51684 63.546000 Cu 0.648619 0.0852121 7.78208e-16 439 63.546 0.0116051 -3.51211 63.546000 Cu 0.579237 0.0874431 0.5 441 63.546 0.00272636 -3.5154 63.546000 Cu 0.588486 0.105046 0 467 63.546 0.00230591 -3.51592 63.546000 Cu 0.658422 0.102706 0.5 469 63.546 0.00345405 -3.51525 63.546000 Cu 0.787626 0.0801396 2.47579e-16 443 63.546 0.00458699 -3.51574 63.546000 Cu 0.71793 0.0827848 0.5 445 63.546 0.0111172 -3.51187 63.546000 Cu 0.728493 0.100201 1 471 63.546 0.00248698 -3.51533 63.546000 Cu 0.809041 0.114936 1 472 63.546 0.00109264 -3.51727 63.546000 Cu 0.798673 0.0975137 0.5 473 63.546 0.000860109 -3.51681 63.546000 Cu 0.85833 0.0774082 0.5 449 63.546 0.00884216 -3.51874 63.546000 Cu 0.868981 0.0947712 1 475 63.546 0.0038568 -3.51883 63.546000 Cu 0.949018 0.109747 1 476 63.546 0.00139822 -3.51768 63.546000 Cu 0.939352 0.0921236 0.5 477 63.546 0.00743364 -3.51962 63.546000 Cu 0.879136 0.11229 0.5 478 63.546 0.00192027 -3.5177 63.546000 Cu 0.0285201 0.124963 1 509 63.546 0.000489136 -3.51641 63.546000 Cu 0.108456 0.14006 1 510 63.546 0.000376645 -3.5168 63.546000 Cu 0.0983806 0.122569 0.5 511 63.546 0.00106779 -3.51647 63.546000 Cu 0.0384806 0.142516 0.5 512 63.546 0.000283033 -3.5165 63.546000 Cu 0.168488 0.120122 3.68714e-16 513 63.546 0.000764642 -3.51673 63.546000 Cu 0.178588 0.137554 0.5 516 63.546 0.00015935 -3.51726 63.546000 Cu 0.24884 0.134993 1.38026e-16 514 63.546 0.000218444 -3.51749 63.546000 Cu 0.238766 0.117576 0.5 515 63.546 0.000400308 -3.51692 63.546000 Cu 0.319019 0.132417 0.5 520 63.546 0.000618092 -3.51741 63.546000 Cu 0.258792 0.152465 0.5 544 63.546 0.00014888 -3.51742 63.546000 Cu 0.328878 0.149932 1 546 63.546 0.000183486 -3.51723 63.546000 Cu 0.38899 0.129865 6.79273e-17 518 63.546 0.000512559 -3.51706 63.546000 Cu 0.45876 0.127377 0.5 523 63.546 0.000224899 -3.51669 63.546000 Cu 0.398823 0.147431 0.5 548 63.546 0.000117137 -3.51678 63.546000 Cu 0.468648 0.144962 4.75491e-16 550 63.546 9.82734e-05 -3.51649 63.546000 Cu 0.52852 0.124963 0 466 63.546 0.000489136 -3.51641 63.546000 Cu 0.598381 0.122569 0.5 470 63.546 0.00106779 -3.51647 63.546000 Cu 0.538481 0.142516 0.5 496 63.546 0.000283033 -3.5165 63.546000 Cu 0.608456 0.14006 2.46252e-16 497 63.546 0.000376645 -3.5168 63.546000 Cu 0.668488 0.120122 2.46252e-16 468 63.546 0.000764642 -3.51673 63.546000 Cu 0.678588 0.137554 0.5 499 63.546 0.00015935 -3.51726 63.546000 Cu 0.738766 0.117576 0.5 474 63.546 0.000400308 -3.51692 63.546000 Cu 0.74884 0.134993 1.05571e-16 501 63.546 0.000218444 -3.51749 63.546000 Cu 0.828878 0.149932 1.03725e-15 502 63.546 0.000183486 -3.51723 63.546000 Cu 0.819019 0.132417 0.5 503 63.546 0.000618092 -3.51741 63.546000 Cu 0.758792 0.152465 0.5 504 63.546 0.00014888 -3.51742 63.546000 Cu 0.88899 0.129865 0 505 63.546 0.000512559 -3.51706 63.546000 Cu 0.968648 0.144962 1 506 63.546 9.82734e-05 -3.51649 63.546000 Cu 0.95876 0.127377 0.5 507 63.546 0.000224899 -3.51669 63.546000 Cu 0.898823 0.147431 0.5 508 63.546 0.000117137 -3.51678 63.546000 Cu 0.0485374 0.160038 1 538 63.546 0.000154985 -3.51669 63.546000 Cu 0.128659 0.175025 1 539 63.546 1.88325e-05 -3.51708 63.546000 Cu 0.118521 0.15754 0.5 540 63.546 0.000129459 -3.51698 63.546000 Cu 0.0586285 0.177535 0.5 541 63.546 3.57628e-05 -3.51678 63.546000 Cu 0.188646 0.15501 1.4237e-16 542 63.546 6.2709e-05 -3.51728 63.546000 Cu 0.268731 0.16997 1.22824e-16 543 63.546 7.75997e-05 -3.51735 63.546000 Cu 0.198695 0.172498 0.5 545 63.546 4.08186e-05 -3.5173 63.546000 Cu 0.208755 0.190008 4.52929e-16 570 63.546 9.23354e-06 -3.51732 63.546000 Cu 0.278767 0.187493 0.5 572 63.546 3.22859e-05 -3.51728 63.546000 Cu 0.338762 0.167457 0.5 549 63.546 6.52425e-05 -3.5171 63.546000 Cu 0.348727 0.184986 2.33945e-16 574 63.546 8.32272e-05 -3.51711 63.546000 Cu 0.408714 0.16497 1 547 63.546 3.09345e-05 -3.51677 63.546000 Cu 0.478628 0.162507 0.5 551 63.546 7.19132e-05 -3.51666 63.546000 Cu 0.418671 0.182499 0.5 576 63.546 8.58386e-05 -3.51689 63.546000 Cu 0.488637 0.180024 1 578 63.546 5.64817e-05 -3.51671 63.546000 Cu 0.548537 0.160038 3.8838e-16 495 63.546 0.000154985 -3.51669 63.546000 Cu 0.618521 0.15754 0.5 500 63.546 0.000129459 -3.51698 63.546000 Cu 0.558628 0.177535 0.5 525 63.546 3.57628e-05 -3.51678 63.546000 Cu 0.628659 0.175025 4.8261e-19 526 63.546 1.88325e-05 -3.51708 63.546000 Cu 0.688646 0.15501 1 498 63.546 6.2709e-05 -3.51728 63.546000 Cu 0.708755 0.190008 3.70041e-16 527 63.546 9.23354e-06 -3.51732 63.546000 Cu 0.698695 0.172498 0.5 528 63.546 4.08186e-05 -3.5173 63.546000 Cu 0.768731 0.16997 1 530 63.546 7.75997e-05 -3.51735 63.546000 Cu 0.778767 0.187493 0.5 533 63.546 3.22859e-05 -3.51728 63.546000 Cu 0.848727 0.184986 1 531 63.546 8.32272e-05 -3.51711 63.546000 Cu 0.838762 0.167457 0.5 532 63.546 6.52425e-05 -3.5171 63.546000 Cu 0.908714 0.16497 1 534 63.546 3.09345e-05 -3.51677 63.546000 Cu 0.988637 0.180024 3.9574e-17 535 63.546 5.64817e-05 -3.51671 63.546000 Cu 0.978628 0.162507 0.5 536 63.546 7.19132e-05 -3.51666 63.546000 Cu 0.918671 0.182499 0.5 537 63.546 8.58386e-05 -3.51689 63.546000 Cu 0.0686996 0.195029 1.22824e-16 566 63.546 2.28433e-05 -3.51703 63.546000 Cu 0.148786 0.210029 1 567 63.546 5.33382e-05 -3.51721 63.546000 Cu 0.13872 0.192522 0.5 568 63.546 6.44999e-06 -3.51719 63.546000 Cu 0.0787932 0.212541 0.5 569 63.546 3.34937e-05 -3.51724 63.546000 Cu 0.0889667 0.230055 1 596 63.546 4.68071e-05 -3.51701 63.546000 Cu 0.158976 0.22753 0.5 598 63.546 1.19393e-05 -3.517 63.546000 Cu 0.00886457 0.215046 7.39961e-16 563 63.546 1.85568e-05 -3.51712 63.546000 Cu 0.288904 0.205006 1.14861e-16 571 63.546 3.02509e-05 -3.51699 63.546000 Cu 0.218848 0.207515 0.5 573 63.546 7.61315e-06 -3.51715 63.546000 Cu 0.228989 0.225012 4.55704e-16 600 63.546 4.7868e-05 -3.51695 63.546000 Cu 0.298996 0.222507 0.5 602 63.546 5.96337e-05 -3.51689 63.546000 Cu 0.428816 0.200021 1.27771e-16 575 63.546 5.102e-06 -3.5169 63.546000 Cu 0.358881 0.202511 0.5 577 63.546 2.38257e-05 -3.51695 63.546000 Cu 0.49872 0.197529 0.5 579 63.546 3.29043e-05 -3.51687 63.546000 Cu 0.368983 0.220018 1 604 63.546 5.31992e-05 -3.51685 63.546000 Cu 0.438942 0.217538 0.5 606 63.546 5.95373e-05 -3.51693 63.546000 Cu 0.508865 0.215046 1 608 63.546 1.85568e-05 -3.51712 63.546000 Cu 0.5687 0.195029 1 524 63.546 2.28433e-05 -3.51703 63.546000 Cu 0.63872 0.192522 0.5 529 63.546 6.44999e-06 -3.51719 63.546000 Cu 0.588967 0.230055 1 552 63.546 4.68071e-05 -3.51701 63.546000 Cu 0.578793 0.212541 0.5 553 63.546 3.34937e-05 -3.51724 63.546000 Cu 0.648786 0.210029 1 554 63.546 5.33382e-05 -3.51721 63.546000 Cu 0.658976 0.22753 0.5 557 63.546 1.19393e-05 -3.517 63.546000 Cu 0.728989 0.225012 2.91014e-16 555 63.546 4.7868e-05 -3.51695 63.546000 Cu 0.718848 0.207515 0.5 556 63.546 7.61315e-06 -3.51715 63.546000 Cu 0.788904 0.205006 1 558 63.546 3.02509e-05 -3.51699 63.546000 Cu 0.798996 0.222507 0.5 561 63.546 5.96337e-05 -3.51689 63.546000 Cu 0.868983 0.220018 6.16655e-16 559 63.546 5.31992e-05 -3.51685 63.546000 Cu 0.858881 0.202511 0.5 560 63.546 2.38257e-05 -3.51695 63.546000 Cu 0.928816 0.200021 1 562 63.546 5.102e-06 -3.5169 63.546000 Cu 0.99872 0.197529 0.5 564 63.546 3.29043e-05 -3.51687 63.546000 Cu 0.938942 0.217538 0.5 565 63.546 5.95373e-05 -3.51693 63.546000 Cu 0.0290276 0.250054 1 593 63.546 7.72433e-06 -3.51706 63.546000 Cu 0.0991011 0.247544 0.5 599 63.546 4.67684e-05 -3.51692 63.546000 Cu 0.0390979 0.267546 0.5 624 63.546 1.36795e-05 -3.51714 63.546000 Cu 0.109131 0.265042 1 626 63.546 1.85484e-05 -3.51712 63.546000 Cu 0.0189571 0.232562 0.5 594 63.546 8.17385e-05 -3.51705 63.546000 Cu 0.169108 0.245032 1 597 63.546 6.48754e-05 -3.51698 63.546000 Cu 0.179125 0.262546 0.5 628 63.546 1.30769e-05 -3.51702 63.546000 Cu 0.308984 0.240018 1 601 63.546 2.45574e-05 -3.51704 63.546000 Cu 0.239061 0.242522 0.5 603 63.546 2.8976e-05 -3.51702 63.546000 Cu 0.249069 0.260046 6.42233e-16 630 63.546 1.19638e-05 -3.51701 63.546000 Cu 0.319018 0.257537 0.5 632 63.546 9.2193e-06 -3.51711 63.546000 Cu 0.448939 0.235047 3.41929e-16 605 63.546 1.9586e-05 -3.51697 63.546000 Cu 0.378956 0.237527 0.5 607 63.546 1.46677e-05 -3.51698 63.546000 Cu 0.38898 0.255041 9.53154e-18 634 63.546 1.49559e-05 -3.51704 63.546000 Cu 0.458956 0.252553 0.5 636 63.546 5.24172e-05 -3.51705 63.546000 Cu 0.518957 0.232562 0.5 609 63.546 8.17385e-05 -3.51705 63.546000 Cu 0.529028 0.250054 1.61554e-16 580 63.546 7.72433e-06 -3.51706 63.546000 Cu 0.609131 0.265042 2.07522e-17 581 63.546 1.85484e-05 -3.51712 63.546000 Cu 0.599101 0.247544 0.5 582 63.546 4.67684e-05 -3.51692 63.546000 Cu 0.539098 0.267546 0.5 583 63.546 1.36795e-05 -3.51714 63.546000 Cu 0.669108 0.245032 6.03262e-19 584 63.546 6.48754e-05 -3.51698 63.546000 Cu 0.679125 0.262546 0.5 587 63.546 1.30769e-05 -3.51702 63.546000 Cu 0.749069 0.260046 1 585 63.546 1.19638e-05 -3.51701 63.546000 Cu 0.739061 0.242522 0.5 586 63.546 2.8976e-05 -3.51702 63.546000 Cu 0.808984 0.240018 4.92503e-16 588 63.546 2.45574e-05 -3.51704 63.546000 Cu 0.819018 0.257537 0.5 591 63.546 9.2193e-06 -3.51711 63.546000 Cu 0.88898 0.255041 6.40785e-16 589 63.546 1.49559e-05 -3.51704 63.546000 Cu 0.878956 0.237527 0.5 590 63.546 1.46677e-05 -3.51698 63.546000 Cu 0.948939 0.235047 1 592 63.546 1.9586e-05 -3.51697 63.546000 Cu 0.958956 0.252553 0.5 595 63.546 5.24172e-05 -3.51705 63.546000 Cu 0.049107 0.285044 8.44567e-19 623 63.546 8.85029e-06 -3.51707 63.546000 Cu 0.119138 0.282547 0.5 629 63.546 4.94438e-06 -3.51709 63.546000 Cu 0.0591375 0.302547 0.5 652 63.546 1.42041e-05 -3.51703 63.546000 Cu 0.129159 0.300054 1 654 63.546 1.58342e-05 -3.51707 63.546000 Cu 0.189158 0.280055 4.8261e-18 627 63.546 1.38787e-05 -3.517 63.546000 Cu 0.329071 0.275059 1 631 63.546 8.35939e-06 -3.51699 63.546000 Cu 0.259134 0.27756 0.5 633 63.546 1.91112e-05 -3.51698 63.546000 Cu 0.199151 0.297568 0.5 656 63.546 7.43729e-06 -3.51702 63.546000 Cu 0.269125 0.295073 3.6992e-16 658 63.546 1.55633e-05 -3.51705 63.546000 Cu 0.33913 0.292567 0.5 660 63.546 1.8912e-05 -3.51695 63.546000 Cu 0.469045 0.270051 1 635 63.546 8.91104e-06 -3.51703 63.546000 Cu 0.39903 0.272554 0.5 637 63.546 1.6082e-05 -3.51695 63.546000 Cu 0.409091 0.290057 1 662 63.546 3.61495e-06 -3.51694 63.546000 Cu 0.48915 0.305052 1 663 63.546 4.04307e-06 -3.51703 63.546000 Cu 0.479092 0.287546 0.5 664 63.546 8.50912e-06 -3.51706 63.546000 Cu 0.419148 0.30756 0.5 665 63.546 9.46952e-06 -3.51705 63.546000 Cu 0.549107 0.285044 1.23427e-16 610 63.546 8.85029e-06 -3.51707 63.546000 Cu 0.629159 0.300054 2.47217e-16 611 63.546 1.58342e-05 -3.51707 63.546000 Cu 0.619138 0.282547 0.5 612 63.546 4.94438e-06 -3.51709 63.546000 Cu 0.559137 0.302547 0.5 613 63.546 1.42041e-05 -3.51703 63.546000 Cu 0.689158 0.280055 0 614 63.546 1.38787e-05 -3.517 63.546000 Cu 0.769125 0.295073 1 615 63.546 1.55633e-05 -3.51705 63.546000 Cu 0.759134 0.27756 0.5 616 63.546 1.91112e-05 -3.51698 63.546000 Cu 0.699151 0.297568 0.5 617 63.546 7.43729e-06 -3.51702 63.546000 Cu 0.829071 0.275059 3.70403e-16 618 63.546 8.35939e-06 -3.51699 63.546000 Cu 0.83913 0.292567 0.5 621 63.546 1.8912e-05 -3.51695 63.546000 Cu 0.909091 0.290057 1 619 63.546 3.61495e-06 -3.51694 63.546000 Cu 0.89903 0.272554 0.5 620 63.546 1.6082e-05 -3.51695 63.546000 Cu 0.969045 0.270051 6.16534e-16 622 63.546 8.91104e-06 -3.51703 63.546000 Cu 0.979092 0.287546 0.5 625 63.546 8.50912e-06 -3.51706 63.546000 Cu 0.919148 0.30756 0.5 648 63.546 9.46952e-06 -3.51705 63.546000 Cu 0.98915 0.305052 4.94313e-16 650 63.546 4.04307e-06 -3.51703 63.546000 Cu 0.0691798 0.320056 9.6522e-19 651 63.546 3.30468e-05 -3.51701 63.546000 Cu 0.139127 0.317568 0.5 657 63.546 3.36061e-06 -3.51698 63.546000 Cu 0.079129 0.337574 0.5 681 63.546 2.72981e-06 -3.51686 63.546000 Cu 0.149102 0.335082 2.46976e-16 683 63.546 8.29587e-06 -3.51692 63.546000 Cu 0.00913706 0.340064 7.33567e-16 679 63.546 1.67909e-05 -3.51693 63.546000 Cu 0.209111 0.315078 8.1561e-17 655 63.546 1.37905e-05 -3.51696 63.546000 Cu 0.279116 0.312578 0.5 661 63.546 7.16475e-06 -3.51694 63.546000 Cu 0.219103 0.332582 0.5 685 63.546 1.08408e-05 -3.51705 63.546000 Cu 0.289104 0.330076 2.46976e-16 687 63.546 5.53105e-06 -3.51704 63.546000 Cu 0.34913 0.310068 1 659 63.546 3.37582e-06 -3.51699 63.546000 Cu 0.369133 0.345073 1 688 63.546 6.28136e-06 -3.51714 63.546000 Cu 0.359118 0.32757 0.5 689 63.546 3.1239e-06 -3.51712 63.546000 Cu 0.42915 0.325061 1 691 63.546 2.25044e-06 -3.51705 63.546000 Cu 0.499183 0.322553 0.5 693 63.546 3.09679e-05 -3.51702 63.546000 Cu 0.439164 0.342561 0.5 694 63.546 2.00401e-05 -3.51694 63.546000 Cu 0.509137 0.340064 1 692 63.546 1.67909e-05 -3.51693 63.546000 Cu 0.56918 0.320056 4.8261e-19 638 63.546 3.30468e-05 -3.51701 63.546000 Cu 0.649102 0.335082 1 639 63.546 8.29587e-06 -3.51692 63.546000 Cu 0.639127 0.317568 0.5 640 63.546 3.36061e-06 -3.51698 63.546000 Cu 0.579129 0.337574 0.5 641 63.546 2.72981e-06 -3.51686 63.546000 Cu 0.709111 0.315078 1 642 63.546 1.37905e-05 -3.51696 63.546000 Cu 0.789104 0.330076 1.23548e-16 643 63.546 5.53105e-06 -3.51704 63.546000 Cu 0.779116 0.312578 0.5 644 63.546 7.16475e-06 -3.51694 63.546000 Cu 0.719103 0.332582 0.5 645 63.546 1.08408e-05 -3.51705 63.546000 Cu 0.84913 0.310068 7.23915e-19 646 63.546 3.37582e-06 -3.51699 63.546000 Cu 0.92915 0.325061 1.81341e-16 647 63.546 2.25044e-06 -3.51705 63.546000 Cu 0.859118 0.32757 0.5 649 63.546 3.1239e-06 -3.51712 63.546000 Cu 0.999183 0.322553 0.5 653 63.546 3.09679e-05 -3.51702 63.546000 Cu 0.869133 0.345073 3.70644e-16 675 63.546 6.28136e-06 -3.51714 63.546000 Cu 0.939164 0.342561 0.5 677 63.546 2.00401e-05 -3.51694 63.546000 Cu 0.0890736 0.355087 1.23307e-16 680 63.546 3.70414e-05 -3.51672 63.546000 Cu 0.159026 0.352599 0.5 686 63.546 2.32244e-05 -3.51705 63.546000 Cu 0.0291542 0.375108 0 709 63.546 0.000122034 -3.51655 63.546000 Cu 0.0989855 0.372628 0.5 711 63.546 6.07857e-05 -3.51678 63.546000 Cu 0.019141 0.357578 0.5 682 63.546 3.9232e-05 -3.51672 63.546000 Cu 0.168902 0.370124 1 713 63.546 0.000133574 -3.51721 63.546000 Cu 0.229055 0.350096 1.23427e-16 684 63.546 2.85693e-05 -3.51731 63.546000 Cu 0.299074 0.347585 0.5 690 63.546 3.4309e-05 -3.51725 63.546000 Cu 0.238966 0.367605 0.5 715 63.546 9.81481e-05 -3.51749 63.546000 Cu 0.309116 0.365082 1 717 63.546 5.1361e-05 -3.51738 63.546000 Cu 0.319126 0.382554 0.5 720 63.546 9.11868e-05 -3.51743 63.546000 Cu 0.389295 0.380054 2.62057e-16 718 63.546 0.000197968 -3.51699 63.546000 Cu 0.379188 0.362564 0.5 719 63.546 3.96811e-05 -3.5171 63.546000 Cu 0.44919 0.360066 5.11566e-16 721 63.546 4.40823e-05 -3.51684 63.546000 Cu 0.459273 0.37758 0.5 723 63.546 0.000171924 -3.51655 63.546000 Cu 0.519141 0.357578 0.5 722 63.546 3.9232e-05 -3.51672 63.546000 Cu 0.529154 0.375108 1 666 63.546 0.000122034 -3.51655 63.546000 Cu 0.589074 0.355087 1 667 63.546 3.70414e-05 -3.51672 63.546000 Cu 0.659026 0.352599 0.5 669 63.546 2.32244e-05 -3.51705 63.546000 Cu 0.598986 0.372628 0.5 670 63.546 6.07857e-05 -3.51678 63.546000 Cu 0.668902 0.370124 7.85689e-16 668 63.546 0.000133574 -3.51721 63.546000 Cu 0.729055 0.350096 1 671 63.546 2.85693e-05 -3.51731 63.546000 Cu 0.809116 0.365082 5.18926e-16 672 63.546 5.1361e-05 -3.51738 63.546000 Cu 0.799074 0.347585 0.5 673 63.546 3.4309e-05 -3.51725 63.546000 Cu 0.738966 0.367605 0.5 674 63.546 9.81481e-05 -3.51749 63.546000 Cu 0.819126 0.382554 0.5 703 63.546 9.11868e-05 -3.51743 63.546000 Cu 0.94919 0.360066 1 676 63.546 4.40823e-05 -3.51684 63.546000 Cu 0.879188 0.362564 0.5 678 63.546 3.96811e-05 -3.5171 63.546000 Cu 0.889295 0.380054 9.29024e-17 705 63.546 0.000197968 -3.51699 63.546000 Cu 0.959273 0.37758 0.5 707 63.546 0.000171924 -3.51655 63.546000 Cu 0.108867 0.390191 2.33221e-16 710 63.546 0.000289926 -3.517 63.546000 Cu 0.0390907 0.392683 0.5 712 63.546 0.000175744 -3.51657 63.546000 Cu 0.0489529 0.410305 1 738 63.546 0.00100549 -3.51742 63.546000 Cu 0.118758 0.407774 0.5 740 63.546 0.00119815 -3.51751 63.546000 Cu 0.178798 0.38765 0.5 716 63.546 0.000408448 -3.51733 63.546000 Cu 0.18875 0.405154 1 742 63.546 0.00097875 -3.51732 63.546000 Cu 0.248926 0.385092 2.48061e-16 714 63.546 0.000177982 -3.51752 63.546000 Cu 0.269204 0.419927 1 743 63.546 0.00158469 -3.51573 63.546000 Cu 0.258939 0.402536 0.5 744 63.546 0.000450351 -3.51717 63.546000 Cu 0.199019 0.422608 0.5 745 63.546 0.00143952 -3.51686 63.546000 Cu 0.329212 0.39999 9.15631e-16 746 63.546 0.000350158 -3.51691 63.546000 Cu 0.339375 0.417393 0.5 749 63.546 0.00251386 -3.51545 63.546000 Cu 0.409383 0.415014 6.17017e-16 747 63.546 0.00216317 -3.51592 63.546000 Cu 0.399402 0.397526 0.5 748 63.546 0.00075515 -3.5165 63.546000 Cu 0.469356 0.39511 1 750 63.546 0.000644867 -3.51627 63.546000 Cu 0.479221 0.412695 0.5 751 63.546 0.000924744 -3.5168 63.546000 Cu 0.548953 0.410305 3.62923e-16 695 63.546 0.00100549 -3.51742 63.546000 Cu 0.539091 0.392683 0.5 696 63.546 0.000175744 -3.51657 63.546000 Cu 0.608867 0.390191 1 697 63.546 0.000289926 -3.517 63.546000 Cu 0.618758 0.407774 0.5 700 63.546 0.00119815 -3.51751 63.546000 Cu 0.68875 0.405154 1.56245e-16 698 63.546 0.00097875 -3.51732 63.546000 Cu 0.678798 0.38765 0.5 699 63.546 0.000408448 -3.51733 63.546000 Cu 0.748926 0.385092 1 701 63.546 0.000177982 -3.51752 63.546000 Cu 0.829212 0.39999 1.56607e-16 702 63.546 0.000350158 -3.51691 63.546000 Cu 0.758939 0.402536 0.5 704 63.546 0.000450351 -3.51717 63.546000 Cu 0.699019 0.422608 0.5 728 63.546 0.00143952 -3.51686 63.546000 Cu 0.769204 0.419927 8.75454e-16 730 63.546 0.00158469 -3.51573 63.546000 Cu 0.839375 0.417393 0.5 732 63.546 0.00251386 -3.51545 63.546000 Cu 0.969356 0.39511 1 706 63.546 0.000644867 -3.51627 63.546000 Cu 0.899402 0.397526 0.5 708 63.546 0.00075515 -3.5165 63.546000 Cu 0.909383 0.415014 6.03262e-19 734 63.546 0.00216317 -3.51592 63.546000 Cu 0.979221 0.412695 0.5 736 63.546 0.000924744 -3.5168 63.546000 Cu 0.12884 0.425326 3.587e-16 739 63.546 0.00376519 -3.51856 63.546000 Cu 0.0586467 0.42793 0.5 741 63.546 0.00528535 -3.51934 63.546000 Cu 0.0683036 0.44542 3.46152e-16 766 63.546 0.0153259 -3.52044 63.546000 Cu 0.150707 0.45987 8.58321e-16 767 63.546 0.0197939 -3.51577 63.546000 Cu 0.139483 0.442743 0.5 768 63.546 0.00872484 -3.51924 63.546000 Cu 0.210064 0.439999 6.57556e-17 770 63.546 0.0028643 -3.51631 63.546000 Cu 0.291239 0.454877 3.01631e-18 771 63.546 0.0357128 -3.50448 63.546000 Cu 0.279879 0.437307 0.5 772 63.546 0.009471 -3.51226 63.546000 Cu 0.222059 0.457364 0.5 773 63.546 0.0314432 -3.51337 63.546000 Cu 0.349408 0.434841 1 774 63.546 0.0111381 -3.51233 63.546000 Cu 0.427501 0.450314 2.47941e-16 775 63.546 0.0129496 -3.51327 63.546000 Cu 0.4189 0.432589 0.5 776 63.546 0.00287649 -3.5155 63.546000 Cu 0.359019 0.452547 0.5 777 63.546 0.0303641 -3.50395 63.546000 Cu 0.4886 0.430345 7.139e-16 778 63.546 0.00251287 -3.5183 63.546000 Cu 0.497345 0.447972 0.5 779 63.546 0.0146991 -3.51979 63.546000 Cu 0.568304 0.44542 6.73241e-17 724 63.546 0.0153259 -3.52044 63.546000 Cu 0.558647 0.42793 0.5 725 63.546 0.00528535 -3.51934 63.546000 Cu 0.62884 0.425326 4.57997e-16 726 63.546 0.00376519 -3.51856 63.546000 Cu 0.639483 0.442743 0.5 729 63.546 0.00872484 -3.51924 63.546000 Cu 0.650707 0.45987 1 754 63.546 0.0197939 -3.51577 63.546000 Cu 0.710064 0.439999 1 727 63.546 0.0028643 -3.51631 63.546000 Cu 0.779879 0.437307 0.5 733 63.546 0.009471 -3.51226 63.546000 Cu 0.722059 0.457364 0.5 756 63.546 0.0314432 -3.51337 63.546000 Cu 0.791239 0.454877 5.61878e-16 758 63.546 0.0357128 -3.50448 63.546000 Cu 0.849408 0.434841 1 731 63.546 0.0111381 -3.51233 63.546000 Cu 0.9886 0.430345 4.9383e-16 735 63.546 0.00251287 -3.5183 63.546000 Cu 0.9189 0.432589 0.5 737 63.546 0.00287649 -3.5155 63.546000 Cu 0.859019 0.452547 0.5 760 63.546 0.0303641 -3.50395 63.546000 Cu 0.927501 0.450314 4.03824e-16 762 63.546 0.0129496 -3.51327 63.546000 Cu 0.997345 0.447972 0.5 764 63.546 0.0146991 -3.51979 63.546000 Cu 0.0779726 0.462539 0.5 769 63.546 0.0197959 -3.51553 63.546000 Cu 0.0878886 0.479113 1.12374e-14 789 63.546 0.0258637 -3.49902 63.546000 Cu 0.161555 0.476636 0.5 791 63.546 0.0587499 -3.50331 63.546000 Cu 0.0960607 0.495153 0.5 792 63.546 4.42765 -3.39692 63.546000 Cu 0.0055351 0.465387 1.51612e-15 763 63.546 0.0569006 -3.51215 63.546000 Cu 0.0137067 0.482271 0.5 788 63.546 1.16492 -3.41855 63.546000 Cu 0.0236841 0.498733 4.04741e-15 787 63.546 9.52868 -3.27107 63.546000 Cu 0.172547 0.492919 8.39089e-15 790 63.546 0.362848 -3.46762 63.546000 Cu 0.234417 0.47464 7.68556e-16 793 63.546 0.147082 -3.49986 63.546000 Cu 0.313351 0.491634 6.72879e-16 794 63.546 0.213515 -3.50021 63.546000 Cu 0.30319 0.473097 0.5 795 63.546 0.100765 -3.49451 63.546000 Cu 0.243481 0.492281 0.5 796 63.546 0.180769 -3.50591 63.546000 Cu 0.380931 0.490668 0.5 9 63.546 0.533739 -3.42542 63.546000 Cu 0.435176 0.468229 0.5 11 63.546 0.144938 -3.49029 63.546000 Cu 0.443731 0.486531 1.26082e-16 394 63.546 1.43499 -3.35352 63.546000 Cu 0.368687 0.470863 1 400 63.546 0.0717621 -3.47587 63.546000 Cu 0.513707 0.482271 0.5 1 63.546 1.16492 -3.41855 63.546000 Cu 0.505535 0.465387 1 3 63.546 0.0569006 -3.51215 63.546000 Cu 0.587889 0.479113 1 752 63.546 0.0258637 -3.49902 63.546000 Cu 0.577973 0.462539 0.5 753 63.546 0.0197959 -3.51553 63.546000 Cu 0.661555 0.476636 0.5 757 63.546 0.0587499 -3.50331 63.546000 Cu 0.596061 0.495153 0.5 781 63.546 4.42765 -3.39692 63.546000 Cu 0.523684 0.498733 1 780 63.546 9.52868 -3.27107 63.546000 Cu 0.672547 0.492919 1 782 63.546 0.362848 -3.46762 63.546000 Cu 0.734417 0.47464 2.77501e-18 755 63.546 0.147082 -3.49986 63.546000 Cu 0.80319 0.473097 0.5 761 63.546 0.100765 -3.49451 63.546000 Cu 0.743481 0.492281 0.5 783 63.546 0.180769 -3.50591 63.546000 Cu 0.813351 0.491634 1 784 63.546 0.213515 -3.50021 63.546000 Cu 0.868687 0.470863 1.73981e-16 759 63.546 0.0717621 -3.47587 63.546000 Cu 0.935176 0.468229 0.5 765 63.546 0.144938 -3.49029 63.546000 Cu 0.880931 0.490668 0.5 785 63.546 0.533739 -3.42542 63.546000 Cu 0.943731 0.486531 1 786 63.546 1.43499 -3.35352 63.546000 Cu 0.10845 0.510049 4.59967e-14 2 63.546 5.97869 -3.20046 63.546000 Cu 0.0265568 0.521974 5.42405e-15 24 63.546 8.8005 -3.25852 63.546000 Cu 0.0978208 0.525188 0.5 26 63.546 4.17643 -3.40766 63.546000 Cu 0.0151181 0.537983 0.5 27 63.546 0.68394 -3.42903 63.546000 Cu 0.246638 0.509999 3.48143e-15 4 63.546 0.12849 -3.51544 63.546000 Cu 0.17681 0.510013 0.5 5 63.546 0.441078 -3.49396 63.546000 Cu 0.173447 0.52717 8.11472e-15 28 63.546 0.322863 -3.47708 63.546000 Cu 0.244197 0.527721 0.5 30 63.546 0.167597 -3.50859 63.546000 Cu 0.317743 0.509985 0.5 7 63.546 0.281785 -3.50297 63.546000 Cu 0.314057 0.528313 4.92021e-16 32 63.546 0.213769 -3.50279 63.546000 Cu 0.391275 0.509934 4.33142e-16 6 63.546 1.87283 -3.45711 63.546000 Cu 0.463638 0.511645 0.5 8 63.546 7.38658 -3.36101 63.546000 Cu 0.381658 0.52929 0.5 34 63.546 0.382179 -3.44944 63.546000 Cu 0.44475 0.533211 1 36 63.546 0.753457 -3.40248 63.546000 Cu 0.526557 0.521974 1 10 63.546 8.8005 -3.25852 63.546000 Cu 0.60845 0.510049 1 12 63.546 5.97869 -3.20046 63.546000 Cu 0.597821 0.525188 0.5 15 63.546 4.17643 -3.40766 63.546000 Cu 0.515118 0.537983 0.5 39 63.546 0.68394 -3.42903 63.546000 Cu 0.673447 0.52717 1 13 63.546 0.322863 -3.47708 63.546000 Cu 0.67681 0.510013 0.5 14 63.546 0.441078 -3.49396 63.546000 Cu 0.746638 0.509999 1 16 63.546 0.12849 -3.51544 63.546000 Cu 0.744197 0.527721 0.5 19 63.546 0.167597 -3.50859 63.546000 Cu 0.814057 0.528313 1 17 63.546 0.213769 -3.50279 63.546000 Cu 0.817743 0.509985 0.5 18 63.546 0.281785 -3.50297 63.546000 Cu 0.891275 0.509934 3.39999e-16 20 63.546 1.87283 -3.45711 63.546000 Cu 0.94475 0.533211 9.47846e-16 21 63.546 0.753457 -3.40248 63.546000 Cu 0.963638 0.511645 0.5 22 63.546 7.38658 -3.36101 63.546000 Cu 0.881658 0.52929 0.5 23 63.546 0.382179 -3.44944 63.546000 Cu 0.0900131 0.541261 1.19355e-14 25 63.546 0.036652 -3.49436 63.546000 Cu 0.00706923 0.554709 1.37435e-15 52 63.546 0.0792073 -3.51037 63.546000 Cu 0.0702684 0.574698 1.35444e-15 53 63.546 0.0180159 -3.52007 63.546000 Cu 0.0798653 0.557685 0.5 54 63.546 0.0207019 -3.5126 63.546000 Cu 0.163468 0.543567 0.5 31 63.546 0.0682591 -3.50427 63.546000 Cu 0.152922 0.560357 6.10984e-16 56 63.546 0.0242965 -3.51419 63.546000 Cu 0.235902 0.545399 1.10662e-15 29 63.546 0.140277 -3.50274 63.546000 Cu 0.304607 0.54686 0.5 35 63.546 0.099185 -3.49684 63.546000 Cu 0.224175 0.562771 0.5 58 63.546 0.0375747 -3.51313 63.546000 Cu 0.293186 0.565145 3.82589e-16 60 63.546 0.0347615 -3.50472 63.546000 Cu 0.370167 0.549049 1 33 63.546 0.0586932 -3.4769 63.546000 Cu 0.436476 0.551729 0.5 37 63.546 0.161753 -3.48869 63.546000 Cu 0.360726 0.567449 0.5 62 63.546 0.0292895 -3.50308 63.546000 Cu 0.429108 0.569704 1 64 63.546 0.0168495 -3.51217 63.546000 Cu 0.499035 0.572074 0.5 67 63.546 0.0209643 -3.51951 63.546000 Cu 0.507069 0.554709 1 38 63.546 0.0792073 -3.51037 63.546000 Cu 0.590013 0.541261 1 40 63.546 0.036652 -3.49436 63.546000 Cu 0.579865 0.557685 0.5 43 63.546 0.0207019 -3.5126 63.546000 Cu 0.570268 0.574698 1 68 63.546 0.0180159 -3.52007 63.546000 Cu 0.652922 0.560357 1 41 63.546 0.0242965 -3.51419 63.546000 Cu 0.663468 0.543567 0.5 42 63.546 0.0682591 -3.50427 63.546000 Cu 0.735902 0.545399 1 44 63.546 0.140277 -3.50274 63.546000 Cu 0.793186 0.565145 2.47338e-16 45 63.546 0.0347615 -3.50472 63.546000 Cu 0.804607 0.54686 0.5 46 63.546 0.099185 -3.49684 63.546000 Cu 0.724175 0.562771 0.5 47 63.546 0.0375747 -3.51313 63.546000 Cu 0.999035 0.572074 0.5 55 63.546 0.0209643 -3.51951 63.546000 Cu 0.870167 0.549049 0 48 63.546 0.0586932 -3.4769 63.546000 Cu 0.929108 0.569704 1.72774e-16 49 63.546 0.0168495 -3.51217 63.546000 Cu 0.936476 0.551729 0.5 50 63.546 0.161753 -3.48869 63.546000 Cu 0.860726 0.567449 0.5 51 63.546 0.0292895 -3.50308 63.546000 Cu 0.141692 0.57742 0.5 59 63.546 0.00899235 -3.51877 63.546000 Cu 0.0509591 0.609762 1.11121e-15 81 63.546 0.00136232 -3.51768 63.546000 Cu 0.0606548 0.592144 0.5 82 63.546 0.00705652 -3.51963 63.546000 Cu 0.131022 0.594789 1 84 63.546 0.00363336 -3.51883 63.546000 Cu 0.120837 0.612306 0.5 87 63.546 0.00186528 -3.51766 63.546000 Cu 0.212377 0.580146 6.15931e-16 57 63.546 0.00445271 -3.5157 63.546000 Cu 0.282058 0.582791 0.5 63 63.546 0.0109895 -3.51177 63.546000 Cu 0.190925 0.614947 0 85 63.546 0.00106404 -3.51723 63.546000 Cu 0.201298 0.597522 0.5 86 63.546 0.000914269 -3.51677 63.546000 Cu 0.271459 0.600205 1.22704e-16 88 63.546 0.00241558 -3.5153 63.546000 Cu 0.351362 0.585223 1 61 63.546 0.0117938 -3.51205 63.546000 Cu 0.420758 0.587457 0.5 65 63.546 0.00277244 -3.51541 63.546000 Cu 0.341533 0.60271 0.5 90 63.546 0.0032866 -3.51526 63.546000 Cu 0.411486 0.605054 1 92 63.546 0.00231779 -3.51593 63.546000 Cu 0.490523 0.5897 1 66 63.546 0.00406418 -3.51834 63.546000 Cu 0.481227 0.607358 0.5 95 63.546 0.000914236 -3.51685 63.546000 Cu 0.631022 0.594789 1 69 63.546 0.00363336 -3.51883 63.546000 Cu 0.641692 0.57742 0.5 70 63.546 0.00899235 -3.51877 63.546000 Cu 0.560655 0.592144 0.5 71 63.546 0.00705652 -3.51963 63.546000 Cu 0.550959 0.609762 0 96 63.546 0.00136232 -3.51768 63.546000 Cu 0.620837 0.612306 0.5 98 63.546 0.00186528 -3.51766 63.546000 Cu 0.712377 0.580146 1 72 63.546 0.00445271 -3.5157 63.546000 Cu 0.771459 0.600205 1 73 63.546 0.00241558 -3.5153 63.546000 Cu 0.782058 0.582791 0.5 74 63.546 0.0109895 -3.51177 63.546000 Cu 0.701298 0.597522 0.5 75 63.546 0.000914269 -3.51677 63.546000 Cu 0.690925 0.614947 1 100 63.546 0.00106404 -3.51723 63.546000 Cu 0.990523 0.5897 4.92865e-16 80 63.546 0.00406418 -3.51834 63.546000 Cu 0.981227 0.607358 0.5 83 63.546 0.000914236 -3.51685 63.546000 Cu 0.851362 0.585223 1.13413e-17 76 63.546 0.0117938 -3.51205 63.546000 Cu 0.911486 0.605054 2.98373e-16 77 63.546 0.00231779 -3.51593 63.546000 Cu 0.920758 0.587457 0.5 78 63.546 0.00277244 -3.51541 63.546000 Cu 0.841533 0.60271 0.5 79 63.546 0.0032866 -3.51526 63.546000 Cu 0.031337 0.644979 5.40644e-16 109 63.546 0.00011069 -3.51652 63.546000 Cu 0.0412081 0.627392 0.5 110 63.546 0.000192833 -3.51675 63.546000 Cu 0.110981 0.62988 1 112 63.546 0.000494036 -3.51706 63.546000 Cu 0.10116 0.647449 0.5 115 63.546 9.92362e-05 -3.51678 63.546000 Cu 0.261182 0.617581 0.5 91 63.546 0.000404982 -3.51691 63.546000 Cu 0.171098 0.649945 1 113 63.546 0.000187034 -3.51724 63.546000 Cu 0.180941 0.632428 0.5 114 63.546 0.000652016 -3.51738 63.546000 Cu 0.251117 0.635 2.02696e-17 116 63.546 0.000220542 -3.51745 63.546000 Cu 0.24118 0.652471 0.5 119 63.546 0.000171391 -3.51744 63.546000 Cu 0.331449 0.620124 1 89 63.546 0.00066753 -3.51677 63.546000 Cu 0.321358 0.637556 0.5 118 63.546 0.000129185 -3.51722 63.546000 Cu 0.401567 0.622574 0.5 93 63.546 0.00101504 -3.51656 63.546000 Cu 0.471445 0.624975 1 94 63.546 0.000506665 -3.51649 63.546000 Cu 0.391497 0.640062 8.63389e-16 120 63.546 0.000327408 -3.51681 63.546000 Cu 0.461487 0.642526 0.5 122 63.546 0.000287228 -3.51653 63.546000 Cu 0.610981 0.62988 1 97 63.546 0.000494036 -3.51706 63.546000 Cu 0.541208 0.627392 0.5 99 63.546 0.000192833 -3.51675 63.546000 Cu 0.531337 0.644979 1 124 63.546 0.00011069 -3.51652 63.546000 Cu 0.60116 0.647449 0.5 126 63.546 9.92362e-05 -3.51678 63.546000 Cu 0.751117 0.635 2.46976e-16 101 63.546 0.000220542 -3.51745 63.546000 Cu 0.761182 0.617581 0.5 102 63.546 0.000404982 -3.51691 63.546000 Cu 0.680941 0.632428 0.5 103 63.546 0.000652016 -3.51738 63.546000 Cu 0.671098 0.649945 1 128 63.546 0.000187034 -3.51724 63.546000 Cu 0.74118 0.652471 0.5 130 63.546 0.000171391 -3.51744 63.546000 Cu 0.831449 0.620124 1.7012e-17 104 63.546 0.00066753 -3.51677 63.546000 Cu 0.821358 0.637556 0.5 107 63.546 0.000129185 -3.51722 63.546000 Cu 0.891497 0.640062 4.45208e-17 105 63.546 0.000327408 -3.51681 63.546000 Cu 0.901567 0.622574 0.5 106 63.546 0.00101504 -3.51656 63.546000 Cu 0.971445 0.624975 2.60247e-16 108 63.546 0.000506665 -3.51649 63.546000 Cu 0.961487 0.642526 0.5 111 63.546 0.000287228 -3.51653 63.546000 Cu 0.011405 0.680033 2.18984e-16 137 63.546 6.02685e-05 -3.51677 63.546000 Cu 0.0213804 0.66252 0.5 138 63.546 8.37293e-05 -3.51664 63.546000 Cu 0.0913023 0.664989 2.46976e-16 140 63.546 2.48014e-05 -3.51675 63.546000 Cu 0.081374 0.682517 0.5 143 63.546 8.41281e-05 -3.51691 63.546000 Cu 0.151321 0.685003 1 141 63.546 6.86251e-05 -3.51707 63.546000 Cu 0.161251 0.667474 0.5 142 63.546 4.73517e-05 -3.51709 63.546000 Cu 0.231277 0.669982 1.2753e-16 144 63.546 6.32107e-05 -3.51738 63.546000 Cu 0.291308 0.690012 1 145 63.546 1.13966e-05 -3.51728 63.546000 Cu 0.30132 0.6725 0.5 146 63.546 4.24985e-05 -3.51735 63.546000 Cu 0.221283 0.687503 0.5 147 63.546 3.09441e-05 -3.51723 63.546000 Cu 0.311332 0.65501 2.46372e-16 117 63.546 6.43894e-05 -3.51727 63.546000 Cu 0.45146 0.660042 1 121 63.546 0.000131062 -3.51667 63.546000 Cu 0.381464 0.657538 0.5 123 63.546 9.80369e-05 -3.51695 63.546000 Cu 0.371365 0.675023 2.45648e-16 148 63.546 1.6019e-05 -3.5171 63.546000 Cu 0.441402 0.677536 0.5 150 63.546 2.01451e-05 -3.51682 63.546000 Cu 0.591302 0.664989 2.81361e-16 125 63.546 2.48014e-05 -3.51675 63.546000 Cu 0.52138 0.66252 0.5 127 63.546 8.37293e-05 -3.51664 63.546000 Cu 0.511405 0.680033 1.23186e-16 152 63.546 6.02685e-05 -3.51677 63.546000 Cu 0.581374 0.682517 0.5 154 63.546 8.41281e-05 -3.51691 63.546000 Cu 0.661251 0.667474 0.5 131 63.546 4.73517e-05 -3.51709 63.546000 Cu 0.651321 0.685003 7.48045e-18 156 63.546 6.86251e-05 -3.51707 63.546000 Cu 0.731277 0.669982 1.23186e-16 129 63.546 6.32107e-05 -3.51738 63.546000 Cu 0.80132 0.6725 0.5 135 63.546 4.24985e-05 -3.51735 63.546000 Cu 0.721283 0.687503 0.5 158 63.546 3.09441e-05 -3.51723 63.546000 Cu 0.791308 0.690012 1 160 63.546 1.13966e-05 -3.51728 63.546000 Cu 0.811332 0.65501 1 132 63.546 6.43894e-05 -3.51727 63.546000 Cu 0.871365 0.675023 3.69196e-16 133 63.546 1.6019e-05 -3.5171 63.546000 Cu 0.881464 0.657538 0.5 134 63.546 9.80369e-05 -3.51695 63.546000 Cu 0.95146 0.660042 3.91879e-16 136 63.546 0.000131062 -3.51667 63.546000 Cu 0.941402 0.677536 0.5 139 63.546 2.01451e-05 -3.51682 63.546000 Cu 0.00134029 0.697538 0.5 166 63.546 1.84711e-05 -3.51693 63.546000 Cu 0.071262 0.700037 1 168 63.546 1.3945e-05 -3.51693 63.546000 Cu 0.131154 0.720028 3.69317e-16 169 63.546 2.67854e-05 -3.51684 63.546000 Cu 0.14121 0.702525 0.5 170 63.546 2.3053e-05 -3.51694 63.546000 Cu 0.0611793 0.717545 0.5 171 63.546 4.69675e-05 -3.51691 63.546000 Cu 0.211194 0.705014 1 172 63.546 1.987e-05 -3.51697 63.546000 Cu 0.271127 0.72502 4.8261e-19 173 63.546 3.67887e-05 -3.51696 63.546000 Cu 0.281243 0.707516 0.5 174 63.546 1.0178e-05 -3.51713 63.546000 Cu 0.201144 0.722516 0.5 175 63.546 3.42924e-05 -3.51689 63.546000 Cu 0.431361 0.695031 1 149 63.546 2.0302e-05 -3.51706 63.546000 Cu 0.361343 0.692522 0.5 151 63.546 8.04184e-06 -3.51717 63.546000 Cu 0.351298 0.710029 1.22945e-16 176 63.546 5.16078e-05 -3.5172 63.546000 Cu 0.411133 0.730052 1 177 63.546 4.05694e-05 -3.51703 63.546000 Cu 0.421291 0.712542 0.5 178 63.546 2.81127e-05 -3.51722 63.546000 Cu 0.341123 0.727533 0.5 179 63.546 1.41532e-05 -3.517 63.546000 Cu 0.491232 0.715049 1.23548e-16 180 63.546 1.96438e-05 -3.51712 63.546000 Cu 0.571262 0.700037 2.47699e-16 153 63.546 1.3945e-05 -3.51693 63.546000 Cu 0.50134 0.697538 0.5 155 63.546 1.84711e-05 -3.51693 63.546000 Cu 0.64121 0.702525 0.5 159 63.546 2.3053e-05 -3.51694 63.546000 Cu 0.561179 0.717545 0.5 182 63.546 4.69675e-05 -3.51691 63.546000 Cu 0.631154 0.720028 1.24151e-16 184 63.546 2.67854e-05 -3.51684 63.546000 Cu 0.711194 0.705014 1 157 63.546 1.987e-05 -3.51697 63.546000 Cu 0.781243 0.707516 0.5 163 63.546 1.0178e-05 -3.51713 63.546000 Cu 0.701144 0.722516 0.5 186 63.546 3.42924e-05 -3.51689 63.546000 Cu 0.771127 0.72502 3.61957e-19 188 63.546 3.67887e-05 -3.51696 63.546000 Cu 0.991232 0.715049 1 165 63.546 1.96438e-05 -3.51712 63.546000 Cu 0.851298 0.710029 0 161 63.546 5.16078e-05 -3.5172 63.546000 Cu 0.861343 0.692522 0.5 162 63.546 8.04184e-06 -3.51717 63.546000 Cu 0.931361 0.695031 1 164 63.546 2.0302e-05 -3.51706 63.546000 Cu 0.921291 0.712542 0.5 167 63.546 2.81127e-05 -3.51722 63.546000 Cu 0.841123 0.727533 0.5 190 63.546 1.41532e-05 -3.517 63.546000 Cu 0.911133 0.730052 3.76436e-16 192 63.546 4.05694e-05 -3.51703 63.546000 Cu 0.0512045 0.735046 1.22945e-16 196 63.546 2.54545e-05 -3.51699 63.546000 Cu 0.111153 0.755045 1 197 63.546 1.6861e-05 -3.51709 63.546000 Cu 0.121198 0.737532 0.5 198 63.546 3.55902e-05 -3.517 63.546000 Cu 0.0411808 0.752547 0.5 199 63.546 6.32348e-05 -3.51711 63.546000 Cu 0.19115 0.740029 9.82111e-17 200 63.546 1.84376e-05 -3.51703 63.546000 Cu 0.251043 0.760051 1 201 63.546 1.02471e-05 -3.51696 63.546000 Cu 0.261064 0.742531 0.5 202 63.546 1.51382e-05 -3.51694 63.546000 Cu 0.181108 0.757546 0.5 203 63.546 5.90431e-06 -3.5171 63.546000 Cu 0.331001 0.745034 1 204 63.546 6.42968e-05 -3.51694 63.546000 Cu 0.320979 0.762545 0.5 207 63.546 1.82704e-05 -3.517 63.546000 Cu 0.390984 0.765033 3.70041e-16 205 63.546 2.23122e-05 -3.5171 63.546000 Cu 0.401017 0.74754 0.5 206 63.546 3.78211e-05 -3.51693 63.546000 Cu 0.461011 0.767533 0.5 208 63.546 2.21009e-05 -3.51712 63.546000 Cu 0.471097 0.750044 1 209 63.546 2.04675e-06 -3.51707 63.546000 Cu 0.481171 0.732559 0.5 183 63.546 6.77156e-05 -3.51707 63.546000 Cu 0.551205 0.735046 1 181 63.546 2.54545e-05 -3.51699 63.546000 Cu 0.621198 0.737532 0.5 187 63.546 3.55902e-05 -3.517 63.546000 Cu 0.541181 0.752547 0.5 211 63.546 6.32348e-05 -3.51711 63.546000 Cu 0.611153 0.755045 2.08367e-16 212 63.546 1.6861e-05 -3.51709 63.546000 Cu 0.69115 0.740029 1 185 63.546 1.84376e-05 -3.51703 63.546000 Cu 0.761064 0.742531 0.5 191 63.546 1.51382e-05 -3.51694 63.546000 Cu 0.681108 0.757546 0.5 214 63.546 5.90431e-06 -3.5171 63.546000 Cu 0.751043 0.760051 2.17295e-16 216 63.546 1.02471e-05 -3.51696 63.546000 Cu 0.831001 0.745034 1 189 63.546 6.42968e-05 -3.51694 63.546000 Cu 0.820979 0.762545 0.5 218 63.546 1.82704e-05 -3.517 63.546000 Cu 0.981171 0.732559 0.5 194 63.546 6.77156e-05 -3.51707 63.546000 Cu 0.971097 0.750044 4.8261e-19 193 63.546 2.04675e-06 -3.51707 63.546000 Cu 0.901017 0.74754 0.5 195 63.546 3.78211e-05 -3.51693 63.546000 Cu 0.890984 0.765033 1.47075e-16 220 63.546 2.23122e-05 -3.5171 63.546000 Cu 0.961011 0.767533 0.5 222 63.546 2.21009e-05 -3.51712 63.546000 Cu 0.0310603 0.770042 2.41305e-19 224 63.546 8.53877e-06 -3.51702 63.546000 Cu 0.0910326 0.790046 3.71006e-16 225 63.546 6.53475e-06 -3.517 63.546000 Cu 0.101082 0.772551 0.5 226 63.546 1.45378e-05 -3.51695 63.546000 Cu 0.0210027 0.78753 0.5 227 63.546 2.1726e-05 -3.51707 63.546000 Cu 0.0109587 0.805035 2.4782e-16 252 63.546 1.52269e-05 -3.51707 63.546000 Cu 0.0809817 0.807546 0.5 254 63.546 1.06096e-05 -3.51711 63.546000 Cu 0.161007 0.792564 0.5 231 63.546 2.39053e-05 -3.51692 63.546000 Cu 0.171064 0.775063 1 228 63.546 2.544e-05 -3.51696 63.546000 Cu 0.231019 0.795072 1.53349e-16 229 63.546 2.12846e-05 -3.51701 63.546000 Cu 0.240992 0.777564 0.5 230 63.546 2.88751e-05 -3.51694 63.546000 Cu 0.30099 0.797567 0.5 235 63.546 1.10233e-05 -3.51698 63.546000 Cu 0.310965 0.780052 1.23548e-16 232 63.546 1.16379e-05 -3.51702 63.546000 Cu 0.370961 0.800048 1.23427e-16 233 63.546 1.37783e-05 -3.51702 63.546000 Cu 0.380964 0.782538 0.5 234 63.546 1.28479e-05 -3.5171 63.546000 Cu 0.450989 0.785031 1 236 63.546 1.22806e-05 -3.51703 63.546000 Cu 0.440965 0.802532 0.5 237 63.546 2.52692e-05 -3.51702 63.546000 Cu 0.53106 0.770042 1 210 63.546 8.53877e-06 -3.51702 63.546000 Cu 0.601082 0.772551 0.5 215 63.546 1.45378e-05 -3.51695 63.546000 Cu 0.510959 0.805035 2.46372e-16 238 63.546 1.52269e-05 -3.51707 63.546000 Cu 0.521003 0.78753 0.5 239 63.546 2.1726e-05 -3.51707 63.546000 Cu 0.591033 0.790046 1 240 63.546 6.53475e-06 -3.517 63.546000 Cu 0.580982 0.807546 0.5 243 63.546 1.06096e-05 -3.51711 63.546000 Cu 0.661007 0.792564 0.5 242 63.546 2.39053e-05 -3.51692 63.546000 Cu 0.671064 0.775063 1.23307e-16 213 63.546 2.544e-05 -3.51696 63.546000 Cu 0.740992 0.777564 0.5 219 63.546 2.88751e-05 -3.51694 63.546000 Cu 0.731019 0.795072 1 244 63.546 2.12846e-05 -3.51701 63.546000 Cu 0.80099 0.797567 0.5 246 63.546 1.10233e-05 -3.51698 63.546000 Cu 0.810965 0.780052 1 217 63.546 1.16379e-05 -3.51702 63.546000 Cu 0.950989 0.785031 7.23915e-18 221 63.546 1.22806e-05 -3.51703 63.546000 Cu 0.880964 0.782538 0.5 223 63.546 1.28479e-05 -3.5171 63.546000 Cu 0.870961 0.800048 8.08371e-17 248 63.546 1.37783e-05 -3.51702 63.546000 Cu 0.940965 0.802532 0.5 250 63.546 2.52692e-05 -3.51702 63.546000 Cu 0.0709905 0.825041 1 253 63.546 1.32499e-05 -3.51703 63.546000 Cu 0.000952729 0.822533 0.5 255 63.546 5.28885e-05 -3.51701 63.546000 Cu 0.141046 0.827558 0.5 259 63.546 6.61448e-06 -3.51712 63.546000 Cu 0.061013 0.84254 0.5 282 63.546 3.73651e-05 -3.5169 63.546000 Cu 0.131018 0.845055 6.74568e-16 284 63.546 1.12178e-05 -3.51712 63.546000 Cu 0.151023 0.810059 1 256 63.546 4.58633e-06 -3.51705 63.546000 Cu 0.21107 0.830074 6.17017e-16 257 63.546 1.12768e-05 -3.51708 63.546000 Cu 0.221046 0.812576 0.5 258 63.546 1.7367e-05 -3.51696 63.546000 Cu 0.29104 0.815075 1 260 63.546 1.46867e-05 -3.51693 63.546000 Cu 0.281074 0.832584 0.5 263 63.546 1.87381e-05 -3.51709 63.546000 Cu 0.351072 0.835078 1 261 63.546 9.54911e-06 -3.51692 63.546000 Cu 0.361014 0.817562 0.5 262 63.546 2.51918e-06 -3.51694 63.546000 Cu 0.430957 0.820045 5.04448e-16 264 63.546 3.48027e-05 -3.51699 63.546000 Cu 0.421042 0.837561 0.5 265 63.546 2.76536e-06 -3.51684 63.546000 Cu 0.491037 0.840046 1 266 63.546 2.2647e-05 -3.51693 63.546000 Cu 0.500953 0.822533 0.5 267 63.546 5.28885e-05 -3.51701 63.546000 Cu 0.570991 0.825041 8.35518e-16 268 63.546 1.32499e-05 -3.51703 63.546000 Cu 0.631018 0.845055 2.41305e-19 269 63.546 1.12178e-05 -3.51712 63.546000 Cu 0.641046 0.827558 0.5 270 63.546 6.61448e-06 -3.51712 63.546000 Cu 0.561013 0.84254 0.5 271 63.546 3.73651e-05 -3.5169 63.546000 Cu 0.651023 0.810059 1 241 63.546 4.58633e-06 -3.51705 63.546000 Cu 0.79104 0.815075 4.8261e-19 245 63.546 1.46867e-05 -3.51693 63.546000 Cu 0.721046 0.812576 0.5 247 63.546 1.7367e-05 -3.51696 63.546000 Cu 0.71107 0.830074 1 272 63.546 1.12768e-05 -3.51708 63.546000 Cu 0.781074 0.832584 0.5 274 63.546 1.87381e-05 -3.51709 63.546000 Cu 0.991037 0.840046 3.61957e-17 280 63.546 2.2647e-05 -3.51693 63.546000 Cu 0.930957 0.820045 1 249 63.546 3.48027e-05 -3.51699 63.546000 Cu 0.861014 0.817562 0.5 251 63.546 2.51918e-06 -3.51694 63.546000 Cu 0.851072 0.835078 3.57131e-17 276 63.546 9.54911e-06 -3.51692 63.546000 Cu 0.921042 0.837561 0.5 278 63.546 2.76536e-06 -3.51684 63.546000 Cu 0.0510022 0.860047 2.47096e-16 281 63.546 5.50277e-05 -3.5168 63.546000 Cu 0.120985 0.862551 0.5 287 63.546 5.2835e-05 -3.51707 63.546000 Cu 0.0409298 0.877566 0.5 310 63.546 0.000189411 -3.51655 63.546000 Cu 0.110897 0.88004 8.44567e-19 312 63.546 0.000216802 -3.51698 63.546000 Cu 0.191055 0.865073 1 285 63.546 5.12592e-05 -3.51739 63.546000 Cu 0.201093 0.84758 0.5 286 63.546 3.32572e-05 -3.5173 63.546000 Cu 0.271138 0.850098 1 288 63.546 5.29264e-05 -3.5173 63.546000 Cu 0.261222 0.867602 0.5 291 63.546 0.000101466 -3.51752 63.546000 Cu 0.181057 0.882543 0.5 314 63.546 0.000105869 -3.51744 63.546000 Cu 0.33131 0.870123 2.91979e-16 289 63.546 0.000169529 -3.51724 63.546000 Cu 0.341175 0.852597 0.5 290 63.546 3.36476e-05 -3.51706 63.546000 Cu 0.41113 0.855077 1 292 63.546 3.59547e-05 -3.51673 63.546000 Cu 0.401247 0.872618 0.5 293 63.546 8.84259e-05 -3.51677 63.546000 Cu 0.471065 0.875094 1 294 63.546 0.000134732 -3.51652 63.546000 Cu 0.481067 0.857558 0.5 295 63.546 5.8961e-05 -3.5167 63.546000 Cu 0.551002 0.860047 6.56108e-16 296 63.546 5.50277e-05 -3.5168 63.546000 Cu 0.610897 0.88004 3.70524e-16 297 63.546 0.000216802 -3.51698 63.546000 Cu 0.620985 0.862551 0.5 298 63.546 5.2835e-05 -3.51707 63.546000 Cu 0.54093 0.877566 0.5 299 63.546 0.000189411 -3.51655 63.546000 Cu 0.771138 0.850098 1 273 63.546 5.29264e-05 -3.5173 63.546000 Cu 0.701093 0.84758 0.5 275 63.546 3.32572e-05 -3.5173 63.546000 Cu 0.691055 0.865073 1 300 63.546 5.12592e-05 -3.51739 63.546000 Cu 0.761222 0.867602 0.5 302 63.546 0.000101466 -3.51752 63.546000 Cu 0.681057 0.882543 0.5 303 63.546 0.000105869 -3.51744 63.546000 Cu 0.83131 0.870123 0 304 63.546 0.000169529 -3.51724 63.546000 Cu 0.981067 0.857558 0.5 283 63.546 5.8961e-05 -3.5167 63.546000 Cu 0.91113 0.855077 3.6992e-16 277 63.546 3.59547e-05 -3.51673 63.546000 Cu 0.841175 0.852597 0.5 279 63.546 3.36476e-05 -3.51706 63.546000 Cu 0.901247 0.872618 0.5 306 63.546 8.84259e-05 -3.51677 63.546000 Cu 0.971065 0.875094 0 308 63.546 0.000134732 -3.51652 63.546000 Cu 0.0308461 0.895102 1 309 63.546 0.000671016 -3.51626 63.546000 Cu 0.100778 0.897518 0.5 315 63.546 0.000824578 -3.51653 63.546000 Cu 0.0209708 0.912694 0.5 338 63.546 0.000972971 -3.51674 63.546000 Cu 0.0907933 0.915005 2.57834e-16 340 63.546 0.00229184 -3.51587 63.546000 Cu 0.160819 0.917379 0.5 342 63.546 0.0025953 -3.51546 63.546000 Cu 0.170976 0.89998 1 313 63.546 0.000368158 -3.51696 63.546000 Cu 0.251275 0.885085 1 316 63.546 0.000169611 -3.51754 63.546000 Cu 0.24128 0.902522 0.5 319 63.546 0.000515749 -3.51722 63.546000 Cu 0.231003 0.919913 1 344 63.546 0.00167931 -3.51577 63.546000 Cu 0.301184 0.922596 0.5 346 63.546 0.00141675 -3.51686 63.546000 Cu 0.311489 0.905144 3.52426e-16 317 63.546 0.00109882 -3.51733 63.546000 Cu 0.32144 0.887644 0.5 318 63.546 0.000491139 -3.51734 63.546000 Cu 0.391378 0.890187 1 320 63.546 0.000378443 -3.51698 63.546000 Cu 0.451259 0.910307 2.99097e-16 321 63.546 0.00111996 -3.5174 63.546000 Cu 0.461138 0.892676 0.5 322 63.546 0.000171665 -3.51655 63.546000 Cu 0.381475 0.907771 0.5 323 63.546 0.00132907 -3.5175 63.546000 Cu 0.530846 0.895102 1 324 63.546 0.000671016 -3.51626 63.546000 Cu 0.590793 0.915005 1 325 63.546 0.00229184 -3.51587 63.546000 Cu 0.600778 0.897518 0.5 326 63.546 0.000824578 -3.51653 63.546000 Cu 0.520971 0.912694 0.5 327 63.546 0.000972971 -3.51674 63.546000 Cu 0.660819 0.917379 0.5 331 63.546 0.0025953 -3.51546 63.546000 Cu 0.751275 0.885085 1 301 63.546 0.000169611 -3.51754 63.546000 Cu 0.670976 0.89998 1 328 63.546 0.000368158 -3.51696 63.546000 Cu 0.731003 0.919913 8.63389e-16 329 63.546 0.00167931 -3.51577 63.546000 Cu 0.74128 0.902522 0.5 330 63.546 0.000515749 -3.51722 63.546000 Cu 0.801184 0.922596 0.5 335 63.546 0.00141675 -3.51686 63.546000 Cu 0.82144 0.887644 0.5 307 63.546 0.000491139 -3.51734 63.546000 Cu 0.811489 0.905144 1.23065e-16 332 63.546 0.00109882 -3.51733 63.546000 Cu 0.891378 0.890187 1 305 63.546 0.000378443 -3.51698 63.546000 Cu 0.961138 0.892676 0.5 311 63.546 0.000171665 -3.51655 63.546000 Cu 0.881475 0.907771 0.5 334 63.546 0.00132907 -3.5175 63.546000 Cu 0.951259 0.910307 1 336 63.546 0.00111996 -3.5174 63.546000 Cu 0.0115767 0.930347 2.03661e-16 337 63.546 0.00267859 -3.5183 63.546000 Cu 0.0812844 0.932579 0.5 343 63.546 0.00288944 -3.51548 63.546000 Cu 0.00283127 0.947976 0.5 366 63.546 0.0152058 -3.51983 63.546000 Cu 0.0726794 0.950302 2.93547e-16 368 63.546 0.0130609 -3.51332 63.546000 Cu 0.141154 0.952528 0.5 370 63.546 0.030862 -3.50393 63.546000 Cu 0.150774 0.934823 1 341 63.546 0.0115681 -3.5123 63.546000 Cu 0.290118 0.939987 4.94192e-16 345 63.546 0.00285541 -3.51624 63.546000 Cu 0.220312 0.937288 0.5 347 63.546 0.00970246 -3.51221 63.546000 Cu 0.208921 0.954855 1 372 63.546 0.03637 -3.50437 63.546000 Cu 0.278086 0.957349 0.5 374 63.546 0.0316632 -3.51337 63.546000 Cu 0.371355 0.925324 1 348 63.546 0.00381124 -3.51855 63.546000 Cu 0.431857 0.945426 1.22462e-16 349 63.546 0.0158304 -3.52043 63.546000 Cu 0.441542 0.927936 0.5 350 63.546 0.00570242 -3.51935 63.546000 Cu 0.360677 0.942739 0.5 351 63.546 0.00875614 -3.51922 63.546000 Cu 0.34943 0.959866 4.92865e-16 376 63.546 0.0201104 -3.51586 63.546000 Cu 0.511577 0.930347 1 352 63.546 0.00267859 -3.5183 63.546000 Cu 0.572679 0.950302 1 353 63.546 0.0130609 -3.51332 63.546000 Cu 0.581284 0.932579 0.5 354 63.546 0.00288944 -3.51548 63.546000 Cu 0.502831 0.947976 0.5 355 63.546 0.0152058 -3.51983 63.546000 Cu 0.641154 0.952528 0.5 359 63.546 0.030862 -3.50393 63.546000 Cu 0.650774 0.934823 1 356 63.546 0.0115681 -3.5123 63.546000 Cu 0.708921 0.954855 1 357 63.546 0.03637 -3.50437 63.546000 Cu 0.720312 0.937288 0.5 358 63.546 0.00970246 -3.51221 63.546000 Cu 0.790118 0.939987 3.70282e-16 360 63.546 0.00285541 -3.51624 63.546000 Cu 0.778086 0.957349 0.5 363 63.546 0.0316632 -3.51337 63.546000 Cu 0.871355 0.925324 1 333 63.546 0.00381124 -3.51855 63.546000 Cu 0.941542 0.927936 0.5 339 63.546 0.00570242 -3.51935 63.546000 Cu 0.84943 0.959866 1 361 63.546 0.0201104 -3.51586 63.546000 Cu 0.860677 0.942739 0.5 362 63.546 0.00875614 -3.51922 63.546000 Cu 0.931857 0.945426 1 364 63.546 0.0158304 -3.52043 63.546000 Cu 0.131475 0.970843 1.55521e-16 369 63.546 0.0720624 -3.47574 63.546000 Cu 0.0649982 0.968218 0.5 371 63.546 0.14546 -3.49051 63.546000 Cu 0.0564118 0.986515 1 395 63.546 1.47998 -3.35112 63.546000 Cu 0.11923 0.990653 0.5 396 63.546 0.541312 -3.42414 63.546000 Cu 0.265684 0.974627 1 373 63.546 0.149347 -3.49972 63.546000 Cu 0.19694 0.97308 0.5 375 63.546 0.101239 -3.49421 63.546000 Cu 0.186764 0.991626 1 397 63.546 0.214 -3.49977 63.546000 Cu 0.256598 0.992268 0.5 398 63.546 0.183121 -3.5059 63.546000 Cu 0.327537 0.992904 1.59901e-15 399 63.546 0.367306 -3.46743 63.546000 Cu 0.404105 0.995136 0.5 436 63.546 4.44842 -3.39686 63.546000 Cu 0.476581 0.998734 1.0539e-15 401 63.546 9.57352 -3.27153 63.546000 Cu 0.412264 0.979117 1.63231e-15 377 63.546 0.0262719 -3.49852 63.546000 Cu 0.422166 0.962541 0.5 378 63.546 0.0196642 -3.51567 63.546000 Cu 0.338562 0.97663 0.5 379 63.546 0.0597566 -3.50314 63.546000 Cu 0.494634 0.965386 2.46252e-16 380 63.546 0.056856 -3.51241 63.546000 Cu 0.486447 0.982275 0.5 383 63.546 1.19185 -3.41745 63.546000 Cu 0.556412 0.986515 1 381 63.546 1.47998 -3.35112 63.546000 Cu 0.564998 0.968218 0.5 382 63.546 0.14546 -3.49051 63.546000 Cu 0.631475 0.970843 6.03262e-19 384 63.546 0.0720624 -3.47574 63.546000 Cu 0.61923 0.990653 0.5 387 63.546 0.541312 -3.42414 63.546000 Cu 0.686764 0.991626 1 385 63.546 0.214 -3.49977 63.546000 Cu 0.69694 0.97308 0.5 386 63.546 0.101239 -3.49421 63.546000 Cu 0.765684 0.974627 1 388 63.546 0.149347 -3.49972 63.546000 Cu 0.756598 0.992268 0.5 391 63.546 0.183121 -3.5059 63.546000 Cu 0.827537 0.992904 1 389 63.546 0.367306 -3.46743 63.546000 Cu 0.976581 0.998734 1 408 63.546 9.57352 -3.27153 63.546000 Cu 0.904105 0.995136 0.5 409 63.546 4.44842 -3.39686 63.546000 Cu 0.994634 0.965386 3.61957e-18 365 63.546 0.056856 -3.51241 63.546000 Cu 0.986447 0.982275 0.5 393 63.546 1.19185 -3.41745 63.546000 Cu 0.922166 0.962541 0.5 367 63.546 0.0196642 -3.51567 63.546000 Cu 0.838562 0.97663 0.5 390 63.546 0.0597566 -3.50314 63.546000 Cu 0.912264 0.979117 1 392 63.546 0.0262719 -3.49852