Number of particles = 924 A = 1 Angstrom (basic length-scale) H0(1,1) = 27.7429 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 111.299 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.65987 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 0.0246469 0.00768517 1.01551e-16 467 63.546 1.5406 -3.20372 63.546000 Cu 0.0851721 0.00416053 0.5 469 63.546 6.6076 -2.8734 63.546000 Cu 0.0727818 0.0395094 6.25661e-17 472 63.546 0.0366465 -3.25636 63.546000 Cu 0.0471535 0.0242712 0.5 473 63.546 0.139021 -3.21473 63.546000 Cu 0.109059 0.0184214 3.55489e-19 475 63.546 0.307735 -3.19848 63.546000 Cu 0.132915 0.0337575 0.5 478 63.546 0.137695 -3.22131 63.546000 Cu 0.195806 0.0269678 1 476 63.546 0.0644631 -3.21087 63.546000 Cu 0.167572 0.0132471 0.5 477 63.546 1.11769 -3.01964 63.546000 Cu 0.229914 0.00533765 1.02144e-16 479 63.546 1.42628 -3.15288 63.546000 Cu 0.314738 0.0131196 1.99074e-17 480 63.546 0.800538 -3.08302 63.546000 Cu 0.256853 0.0192073 0.5 481 63.546 0.356916 -3.23968 63.546000 Cu 0.282265 0.0344961 1 495 63.546 0.0251384 -3.23853 63.546000 Cu 0.379765 0.00553901 0.5 483 63.546 1.73155 -3.09216 63.546000 Cu 0.343809 0.0273498 0.5 497 63.546 0.0337768 -3.23321 63.546000 Cu 0.404742 0.0197899 0 499 63.546 0.409384 -3.23902 63.546000 Cu 0.488492 0.0294877 2.36993e-19 500 63.546 0.0232272 -3.23596 63.546000 Cu 0.463615 0.0134531 0.5 501 63.546 0.524686 -3.1857 63.546000 Cu 0.429391 0.035583 0.5 502 63.546 0.0444487 -3.27098 63.546000 Cu 0.524647 0.00768517 1.90068e-16 503 63.546 1.5406 -3.20372 63.546000 Cu 0.609059 0.0184214 9.8352e-18 504 63.546 0.307735 -3.19848 63.546000 Cu 0.585172 0.00416053 0.5 505 63.546 6.6076 -2.8734 63.546000 Cu 0.547154 0.0242712 0.5 506 63.546 0.139021 -3.21473 63.546000 Cu 0.572782 0.0395094 1.18496e-19 530 63.546 0.0366465 -3.25636 63.546000 Cu 0.632915 0.0337575 0.5 532 63.546 0.137695 -3.22131 63.546000 Cu 0.729914 0.00533765 1.18496e-19 507 63.546 1.42628 -3.15288 63.546000 Cu 0.667572 0.0132471 0.5 508 63.546 1.11769 -3.01964 63.546000 Cu 0.695806 0.0269678 4.73986e-19 534 63.546 0.0644631 -3.21087 63.546000 Cu 0.782265 0.0344961 3.55489e-19 535 63.546 0.0251384 -3.23853 63.546000 Cu 0.756853 0.0192073 0.5 536 63.546 0.356916 -3.23968 63.546000 Cu 0.814738 0.0131196 4.73986e-19 538 63.546 0.800538 -3.08302 63.546000 Cu 0.963615 0.0134531 0.5 468 63.546 0.524686 -3.1857 63.546000 Cu 0.988492 0.0294877 1.18496e-19 471 63.546 0.0232272 -3.23596 63.546000 Cu 0.904742 0.0197899 1.14941e-17 539 63.546 0.409384 -3.23902 63.546000 Cu 0.879765 0.00553901 0.5 540 63.546 1.73155 -3.09216 63.546000 Cu 0.843809 0.0273498 0.5 541 63.546 0.0337768 -3.23321 63.546000 Cu 0.929391 0.035583 0.5 573 63.546 0.0444487 -3.27098 63.546000 Cu 0.0132034 0.0454582 0.5 474 63.546 0.0189031 -3.24558 63.546000 Cu 0.0386742 0.0608103 0 487 63.546 0.0148362 -3.2584 63.546000 Cu 0.125113 0.0694222 0 488 63.546 0.0053107 -3.26812 63.546000 Cu 0.0986443 0.0546898 0.5 489 63.546 0.0362957 -3.25244 63.546000 Cu 0.0644306 0.0759363 0.5 490 63.546 0.0137281 -3.26207 63.546000 Cu 0.159744 0.0481003 1 491 63.546 0.0141124 -3.26636 63.546000 Cu 0.24693 0.0559447 3.55489e-19 492 63.546 0.00199849 -3.27522 63.546000 Cu 0.221323 0.0411645 0.5 493 63.546 0.0185268 -3.27575 63.546000 Cu 0.185988 0.0626723 0.5 494 63.546 0.00246257 -3.27826 63.546000 Cu 0.308266 0.0491029 0.5 498 63.546 0.00695169 -3.27075 63.546000 Cu 0.212012 0.0775096 1 518 63.546 0.000940521 -3.27728 63.546000 Cu 0.272851 0.0707757 0.5 520 63.546 0.00332504 -3.27995 63.546000 Cu 0.333679 0.0640386 1 522 63.546 0.0125379 -3.28599 63.546000 Cu 0.369346 0.0421485 1 496 63.546 0.0471413 -3.28078 63.546000 Cu 0.419059 0.072921 0 523 63.546 0.00373589 -3.27702 63.546000 Cu 0.394144 0.0574777 0.5 524 63.546 0.0175889 -3.28469 63.546000 Cu 0.358965 0.0792559 0.5 525 63.546 0.00651691 -3.28265 63.546000 Cu 0.453998 0.0512663 4.24217e-17 526 63.546 0.00759349 -3.26778 63.546000 Cu 0.478859 0.0668544 0.5 529 63.546 0.00411634 -3.26444 63.546000 Cu 0.538674 0.0608103 1 527 63.546 0.0148362 -3.2584 63.546000 Cu 0.513203 0.0454582 0.5 528 63.546 0.0189032 -3.24558 63.546000 Cu 0.659744 0.0481003 1 531 63.546 0.0141124 -3.26636 63.546000 Cu 0.598644 0.0546898 0.5 533 63.546 0.0362957 -3.25244 63.546000 Cu 0.564431 0.0759363 0.5 562 63.546 0.0137279 -3.26207 63.546000 Cu 0.625113 0.0694222 5.85372e-17 564 63.546 0.00531067 -3.26812 63.546000 Cu 0.721323 0.0411645 0.5 537 63.546 0.0185268 -3.27575 63.546000 Cu 0.712012 0.0775096 1 565 63.546 0.000940587 -3.27728 63.546000 Cu 0.685988 0.0626723 0.5 566 63.546 0.00246262 -3.27826 63.546000 Cu 0.74693 0.0559447 1.30346e-18 568 63.546 0.00199851 -3.27522 63.546000 Cu 0.808266 0.0491029 0.5 570 63.546 0.00695171 -3.27075 63.546000 Cu 0.772851 0.0707757 0.5 571 63.546 0.00332511 -3.27995 63.546000 Cu 0.833679 0.0640386 2.45288e-17 569 63.546 0.012538 -3.28599 63.546000 Cu 0.953998 0.0512663 2.36993e-18 470 63.546 0.00759349 -3.26778 63.546000 Cu 0.978859 0.0668544 0.5 485 63.546 0.00411634 -3.26444 63.546000 Cu 0.869346 0.0421485 1 572 63.546 0.0471413 -3.28078 63.546000 Cu 0.894144 0.0574777 0.5 574 63.546 0.017589 -3.28469 63.546000 Cu 0.858965 0.0792559 0.5 605 63.546 0.00651688 -3.28265 63.546000 Cu 0.919059 0.072921 2.45288e-17 607 63.546 0.00373589 -3.27702 63.546000 Cu 0.00427166 0.0821694 1 484 63.546 0.0063734 -3.26535 63.546000 Cu 0.0559074 0.112281 1 511 63.546 0.00147127 -3.27129 63.546000 Cu 0.0299677 0.0972963 0.5 512 63.546 0.00547443 -3.26723 63.546000 Cu 0.0905193 0.0908277 5.26124e-17 514 63.546 0.00277144 -3.27025 63.546000 Cu 0.151239 0.0841931 0.5 516 63.546 0.000573539 -3.27544 63.546000 Cu 0.11652 0.105725 0.5 517 63.546 0.000283656 -3.27451 63.546000 Cu 0.177198 0.0990984 1 515 63.546 0.000402895 -3.27642 63.546000 Cu 0.29853 0.0857952 6.22106e-17 519 63.546 0.00461873 -3.28086 63.546000 Cu 0.237897 0.0924428 0.5 521 63.546 0.00156777 -3.27758 63.546000 Cu 0.203061 0.114075 0.5 550 63.546 0.000871372 -3.27636 63.546000 Cu 0.263595 0.107488 9.47971e-19 552 63.546 0.00201144 -3.27759 63.546000 Cu 0.323991 0.100966 0.5 554 63.546 0.00267169 -3.27845 63.546000 Cu 0.349443 0.116206 9.7878e-17 553 63.546 0.000626421 -3.27568 63.546000 Cu 0.384207 0.0945727 1 556 63.546 0.00150087 -3.27656 63.546000 Cu 0.469692 0.103603 6.13811e-17 557 63.546 0.00272044 -3.26893 63.546000 Cu 0.444241 0.0883338 0.5 558 63.546 0.00112616 -3.27112 63.546000 Cu 0.409572 0.109874 0.5 559 63.546 0.000487852 -3.27252 63.546000 Cu 0.495456 0.118729 0.5 593 63.546 0.00213189 -3.26982 63.546000 Cu 0.504272 0.0821694 7.10978e-18 560 63.546 0.00637323 -3.26535 63.546000 Cu 0.590519 0.0908277 7.10978e-19 561 63.546 0.00277139 -3.27025 63.546000 Cu 0.529968 0.0972963 0.5 563 63.546 0.00547424 -3.26723 63.546000 Cu 0.651239 0.0841931 0.5 567 63.546 0.000573614 -3.27544 63.546000 Cu 0.555907 0.112282 4.73986e-19 595 63.546 0.00147135 -3.2713 63.546000 Cu 0.61652 0.105725 0.5 597 63.546 0.000283662 -3.27451 63.546000 Cu 0.677198 0.0990984 4.85835e-18 599 63.546 0.00040284 -3.27642 63.546000 Cu 0.763595 0.107488 3.55489e-19 600 63.546 0.00201103 -3.27759 63.546000 Cu 0.737897 0.0924428 0.5 601 63.546 0.00156768 -3.27758 63.546000 Cu 0.703061 0.114075 0.5 602 63.546 0.000870932 -3.27636 63.546000 Cu 0.79853 0.0857952 5.75892e-17 603 63.546 0.00461865 -3.28086 63.546000 Cu 0.823991 0.100966 0.5 606 63.546 0.00267146 -3.27845 63.546000 Cu 0.944241 0.0883338 0.5 486 63.546 0.00112625 -3.27112 63.546000 Cu 0.969692 0.103603 0 510 63.546 0.00272057 -3.26893 63.546000 Cu 0.995456 0.118729 0.5 513 63.546 0.00213173 -3.26982 63.546000 Cu 0.884207 0.0945727 1.47765e-16 604 63.546 0.00150083 -3.27657 63.546000 Cu 0.849443 0.116206 2.93871e-17 638 63.546 0.000626495 -3.27568 63.546000 Cu 0.909572 0.109874 0.5 639 63.546 0.000487917 -3.27252 63.546000 Cu 0.0213943 0.133766 0 544 63.546 0.000717184 -3.27211 63.546000 Cu 0.107857 0.142242 1 545 63.546 9.61917e-05 -3.27507 63.546000 Cu 0.0818926 0.127248 0.5 546 63.546 0.000204289 -3.27384 63.546000 Cu 0.0473741 0.148779 0.5 547 63.546 0.000116835 -3.27367 63.546000 Cu 0.142466 0.120674 1 548 63.546 0.000215312 -3.27534 63.546000 Cu 0.13377 0.157277 0.5 581 63.546 0.000192325 -3.27538 63.546000 Cu 0.228828 0.129135 3.98148e-17 549 63.546 0.000917489 -3.27691 63.546000 Cu 0.168358 0.135684 0.5 551 63.546 0.000429996 -3.27619 63.546000 Cu 0.289203 0.122631 0.5 555 63.546 0.00110656 -3.27687 63.546000 Cu 0.194183 0.150755 1 583 63.546 0.000395867 -3.27614 63.546000 Cu 0.280261 0.159416 3.79188e-18 584 63.546 9.72722e-05 -3.27506 63.546000 Cu 0.254541 0.144262 0.5 585 63.546 0.00045663 -3.27631 63.546000 Cu 0.314814 0.137819 6.6358e-17 587 63.546 0.00026153 -3.27527 63.546000 Cu 0.400738 0.146609 2.3877e-16 588 63.546 0.000390329 -3.27214 63.546000 Cu 0.375006 0.131436 0.5 589 63.546 0.000204886 -3.27331 63.546000 Cu 0.340509 0.152999 0.5 590 63.546 8.55935e-05 -3.27377 63.546000 Cu 0.435185 0.125091 6.30401e-17 591 63.546 0.0010375 -3.27107 63.546000 Cu 0.461013 0.140212 0.5 594 63.546 0.000838652 -3.27136 63.546000 Cu 0.486948 0.155272 2.45288e-17 626 63.546 0.000314385 -3.27236 63.546000 Cu 0.521394 0.133766 1.5997e-17 592 63.546 0.000717402 -3.27211 63.546000 Cu 0.642466 0.120674 1.58785e-17 596 63.546 0.000215032 -3.27534 63.546000 Cu 0.581893 0.127248 0.5 598 63.546 0.000204305 -3.27384 63.546000 Cu 0.547374 0.148779 0.5 628 63.546 0.000116914 -3.27366 63.546000 Cu 0.607857 0.142242 2.45288e-17 630 63.546 9.59913e-05 -3.27507 63.546000 Cu 0.63377 0.157277 0.5 633 63.546 0.00019215 -3.27538 63.546000 Cu 0.694183 0.150755 6.22106e-17 631 63.546 0.000396072 -3.27613 63.546000 Cu 0.668358 0.135684 0.5 632 63.546 0.000429481 -3.27618 63.546000 Cu 0.728828 0.129135 2.36993e-19 634 63.546 0.000917119 -3.2769 63.546000 Cu 0.814814 0.137819 4.73986e-19 635 63.546 0.000261868 -3.27526 63.546000 Cu 0.789203 0.122631 0.5 636 63.546 0.00110651 -3.27687 63.546000 Cu 0.754541 0.144261 0.5 637 63.546 0.000457242 -3.2763 63.546000 Cu 0.780261 0.159415 1 669 63.546 9.77656e-05 -3.27505 63.546000 Cu 0.935185 0.125091 3.55489e-19 509 63.546 0.00103718 -3.27107 63.546000 Cu 0.986948 0.155272 1 542 63.546 0.000314735 -3.27237 63.546000 Cu 0.961013 0.140212 0.5 543 63.546 0.000838252 -3.27136 63.546000 Cu 0.875006 0.131435 0.5 640 63.546 0.000204703 -3.2733 63.546000 Cu 0.840509 0.152999 0.5 671 63.546 8.49576e-05 -3.27377 63.546000 Cu 0.900738 0.146609 3.55489e-19 673 63.546 0.000389523 -3.27213 63.546000 Cu 0.0388271 0.185358 3.55489e-19 576 63.546 2.09634e-05 -3.27427 63.546000 Cu 0.0129038 0.170312 0.5 577 63.546 5.61721e-05 -3.27337 63.546000 Cu 0.0733308 0.163803 0 579 63.546 4.27316e-05 -3.27438 63.546000 Cu 0.159616 0.172353 1.35086e-17 580 63.546 0.000168227 -3.27531 63.546000 Cu 0.0992299 0.178854 0.5 582 63.546 8.45564e-05 -3.27486 63.546000 Cu 0.125082 0.193935 2.45288e-17 614 63.546 6.00872e-05 -3.27522 63.546000 Cu 0.219965 0.165868 0.5 586 63.546 0.000180952 -3.27546 63.546000 Cu 0.185429 0.187457 0.5 616 63.546 6.75665e-05 -3.27517 63.546000 Cu 0.245744 0.180998 8.68579e-17 618 63.546 3.69527e-05 -3.27477 63.546000 Cu 0.331854 0.189683 2.7112e-16 619 63.546 4.77911e-05 -3.27351 63.546000 Cu 0.30603 0.174561 0.5 620 63.546 3.05844e-05 -3.27401 63.546000 Cu 0.271552 0.196121 0.5 621 63.546 1.32568e-05 -3.27409 63.546000 Cu 0.366304 0.16814 2.45288e-17 622 63.546 0.000133974 -3.27296 63.546000 Cu 0.452514 0.176791 2.63062e-17 623 63.546 0.000123017 -3.27288 63.546000 Cu 0.426597 0.161719 0.5 624 63.546 0.000307065 -3.27213 63.546000 Cu 0.392167 0.183244 0.5 625 63.546 0.00011198 -3.273 63.546000 Cu 0.41806 0.198323 7.48897e-17 657 63.546 4.38593e-05 -3.27347 63.546000 Cu 0.478432 0.19185 0.5 659 63.546 2.28986e-05 -3.27378 63.546000 Cu 0.573331 0.163803 2.08554e-17 627 63.546 4.28751e-05 -3.27439 63.546000 Cu 0.512904 0.170311 0.5 629 63.546 5.61515e-05 -3.27338 63.546000 Cu 0.538827 0.185358 9.13607e-17 661 63.546 2.08374e-05 -3.27432 63.546000 Cu 0.625082 0.193935 6.19736e-17 662 63.546 5.99206e-05 -3.27522 63.546000 Cu 0.59923 0.178854 0.5 663 63.546 8.41387e-05 -3.2749 63.546000 Cu 0.659616 0.172352 1.65895e-18 665 63.546 0.000168659 -3.27533 63.546000 Cu 0.745745 0.180998 1.95519e-17 666 63.546 3.75231e-05 -3.27477 63.546000 Cu 0.719966 0.165868 0.5 667 63.546 0.000182146 -3.27546 63.546000 Cu 0.685429 0.187457 0.5 668 63.546 6.87426e-05 -3.27517 63.546000 Cu 0.80603 0.174561 0.5 672 63.546 2.98663e-05 -3.274 63.546000 Cu 0.771552 0.196122 0.5 702 63.546 1.21461e-05 -3.27402 63.546000 Cu 0.831854 0.189683 2.45288e-17 704 63.546 4.72794e-05 -3.27346 63.546000 Cu 0.952514 0.176791 2.45288e-17 575 63.546 0.00012438 -3.27286 63.546000 Cu 0.978432 0.19185 0.5 578 63.546 2.31924e-05 -3.27374 63.546000 Cu 0.866304 0.16814 0 670 63.546 0.000133553 -3.27296 63.546000 Cu 0.926597 0.161719 0.5 674 63.546 0.000307547 -3.27214 63.546000 Cu 0.918059 0.198324 1 705 63.546 4.51476e-05 -3.27345 63.546000 Cu 0.892167 0.183245 0.5 706 63.546 0.000113329 -3.27297 63.546000 Cu 0.00432739 0.206915 1 610 63.546 6.43275e-06 -3.27456 63.546000 Cu 0.0905636 0.215509 1 611 63.546 1.59375e-05 -3.27488 63.546000 Cu 0.0647088 0.200425 0.5 612 63.546 2.58615e-05 -3.27496 63.546000 Cu 0.0301972 0.221991 0.5 613 63.546 3.75209e-06 -3.27478 63.546000 Cu 0.150913 0.209033 0.5 617 63.546 2.33259e-05 -3.27483 63.546000 Cu 0.0560541 0.237071 4.23032e-17 645 63.546 3.57777e-06 -3.27454 63.546000 Cu 0.116411 0.230596 0.5 647 63.546 1.04359e-05 -3.27438 63.546000 Cu 0.211242 0.20257 2.45288e-17 615 63.546 1.61543e-05 -3.27457 63.546000 Cu 0.17675 0.224131 2.57137e-17 649 63.546 1.02521e-05 -3.27414 63.546000 Cu 0.26293 0.232771 3.2468e-17 650 63.546 2.09274e-06 -3.27356 63.546000 Cu 0.237075 0.217676 0.5 651 63.546 6.51356e-06 -3.27386 63.546000 Cu 0.202605 0.239222 0.5 652 63.546 4.99492e-06 -3.27366 63.546000 Cu 0.297392 0.211228 9.47971e-17 653 63.546 1.52154e-05 -3.27359 63.546000 Cu 0.323256 0.22632 0.5 656 63.546 9.49798e-06 -3.27358 63.546000 Cu 0.383595 0.219863 9.12422e-18 654 63.546 1.56963e-05 -3.27374 63.546000 Cu 0.357716 0.204781 0.5 655 63.546 3.78481e-05 -3.27342 63.546000 Cu 0.443953 0.213395 0.5 660 63.546 1.05396e-05 -3.27409 63.546000 Cu 0.409472 0.234942 0.5 690 63.546 7.52153e-06 -3.27417 63.546000 Cu 0.469832 0.228469 2.45288e-17 692 63.546 2.44198e-06 -3.27444 63.546000 Cu 0.504329 0.206914 3.63784e-17 658 63.546 6.18963e-06 -3.27453 63.546000 Cu 0.564709 0.200425 0.5 664 63.546 2.49816e-05 -3.27496 63.546000 Cu 0.556061 0.237068 0 693 63.546 4.58919e-06 -3.27446 63.546000 Cu 0.5302 0.221989 0.5 694 63.546 4.11419e-06 -3.27466 63.546000 Cu 0.590565 0.215508 4.63321e-17 696 63.546 1.68629e-05 -3.27477 63.546000 Cu 0.650914 0.209033 0.5 698 63.546 2.51716e-05 -3.27473 63.546000 Cu 0.616414 0.230595 0.5 699 63.546 1.24485e-05 -3.2743 63.546000 Cu 0.676752 0.224131 3.42455e-17 697 63.546 1.08369e-05 -3.27406 63.546000 Cu 0.711243 0.20257 4.07628e-17 700 63.546 1.68072e-05 -3.27447 63.546000 Cu 0.79739 0.21123 2.72542e-17 701 63.546 1.30949e-05 -3.27356 63.546000 Cu 0.737075 0.217677 0.5 703 63.546 4.44834e-06 -3.27381 63.546000 Cu 0.702605 0.239226 0.5 733 63.546 4.28079e-06 -3.27378 63.546000 Cu 0.762927 0.232776 3.93408e-17 735 63.546 1.05439e-06 -3.27368 63.546000 Cu 0.823251 0.226325 0.5 737 63.546 1.09148e-05 -3.2737 63.546000 Cu 0.969826 0.228473 1 608 63.546 2.36505e-06 -3.27454 63.546000 Cu 0.94395 0.213397 0.5 609 63.546 1.11223e-05 -3.27417 63.546000 Cu 0.857714 0.204782 0.5 707 63.546 3.82481e-05 -3.27341 63.546000 Cu 0.88359 0.219867 6.86094e-17 739 63.546 1.77557e-05 -3.27385 63.546000 Cu 0.909463 0.234949 0.5 740 63.546 9.53382e-06 -3.27425 63.546000 Cu 0.0215505 0.258625 1.5523e-17 642 63.546 3.85006e-06 -3.27447 63.546000 Cu 0.14227 0.24568 1.21577e-16 646 63.546 1.00737e-05 -3.27388 63.546000 Cu 0.0819176 0.252148 0.5 648 63.546 7.52782e-06 -3.27418 63.546000 Cu 0.0474323 0.273691 0.5 678 63.546 1.0389e-05 -3.27391 63.546000 Cu 0.107801 0.267219 3.09276e-17 680 63.546 1.75782e-05 -3.27357 63.546000 Cu 0.194028 0.27584 1 681 63.546 2.45602e-05 -3.27316 63.546000 Cu 0.168147 0.260759 0.5 682 63.546 1.38588e-05 -3.27341 63.546000 Cu 0.228475 0.254309 2.95056e-17 684 63.546 3.06032e-06 -3.27346 63.546000 Cu 0.314658 0.262949 1.89594e-18 685 63.546 6.97459e-06 -3.27398 63.546000 Cu 0.288798 0.24786 0.5 686 63.546 1.43407e-06 -3.27365 63.546000 Cu 0.254342 0.269398 0.5 687 63.546 5.05722e-06 -3.27355 63.546000 Cu 0.349127 0.241406 1.34967e-16 688 63.546 7.1831e-06 -3.2739 63.546000 Cu 0.435337 0.250021 1.03803e-16 689 63.546 5.78579e-06 -3.27446 63.546000 Cu 0.374989 0.256491 0.5 691 63.546 1.07258e-05 -3.27429 63.546000 Cu 0.495698 0.243545 0.5 695 63.546 5.46682e-07 -3.27452 63.546000 Cu 0.340502 0.278042 0.5 721 63.546 2.70057e-05 -3.2745 63.546000 Cu 0.400844 0.271574 1.576e-17 723 63.546 2.13506e-05 -3.27459 63.546000 Cu 0.461203 0.265098 0.5 725 63.546 7.51714e-06 -3.27451 63.546000 Cu 0.521569 0.25862 2.45288e-17 727 63.546 2.96878e-06 -3.27436 63.546000 Cu 0.607812 0.267223 1.36271e-17 728 63.546 2.1497e-05 -3.27362 63.546000 Cu 0.581929 0.252146 0.5 729 63.546 9.39369e-06 -3.27417 63.546000 Cu 0.547458 0.273688 0.5 730 63.546 1.16686e-05 -3.27387 63.546000 Cu 0.642275 0.245682 6.11441e-17 731 63.546 1.1729e-05 -3.27395 63.546000 Cu 0.728467 0.25432 2.45288e-17 732 63.546 2.02733e-06 -3.2736 63.546000 Cu 0.668146 0.260768 0.5 734 63.546 1.44141e-05 -3.27354 63.546000 Cu 0.788786 0.247871 0.5 738 63.546 3.53063e-06 -3.27377 63.546000 Cu 0.694008 0.27586 1 766 63.546 1.86992e-05 -3.27345 63.546000 Cu 0.754316 0.269417 0.5 768 63.546 5.5407e-06 -3.2738 63.546000 Cu 0.814633 0.262966 0 770 63.546 1.18567e-05 -3.27413 63.546000 Cu 0.935321 0.25003 0 641 63.546 6.8848e-06 -3.27451 63.546000 Cu 0.995688 0.243551 0.5 643 63.546 5.63407e-07 -3.27458 63.546000 Cu 0.961178 0.265108 0.5 644 63.546 1.03381e-05 -3.27468 63.546000 Cu 0.849116 0.241415 1 736 63.546 1.10538e-05 -3.27399 63.546000 Cu 0.900811 0.27159 1 771 63.546 2.53563e-05 -3.27477 63.546000 Cu 0.874968 0.256503 0.5 772 63.546 1.42209e-05 -3.27436 63.546000 Cu 0.840463 0.278064 0.5 773 63.546 3.40781e-05 -3.27469 63.546000 Cu 0.0733425 0.288747 1.26791e-17 677 63.546 4.72707e-05 -3.27313 63.546000 Cu 0.0129548 0.295227 0.5 679 63.546 2.00216e-05 -3.27362 63.546000 Cu 0.1337 0.282287 0.5 683 63.546 5.24782e-05 -3.27299 63.546000 Cu 0.0389005 0.310267 1 711 63.546 0.000139666 -3.2728 63.546000 Cu 0.125153 0.318898 0 712 63.546 0.000219037 -3.27316 63.546000 Cu 0.099266 0.303808 0.5 713 63.546 0.000166742 -3.27275 63.546000 Cu 0.159587 0.297369 9.64561e-17 715 63.546 9.04625e-05 -3.27315 63.546000 Cu 0.245703 0.306054 0 716 63.546 3.86714e-05 -3.27491 63.546000 Cu 0.219886 0.290936 0.5 717 63.546 2.40539e-05 -3.27371 63.546000 Cu 0.185426 0.312482 0.5 718 63.546 5.03782e-05 -3.27415 63.546000 Cu 0.280186 0.284496 0 719 63.546 1.48836e-05 -3.27418 63.546000 Cu 0.306007 0.299603 0.5 722 63.546 7.85128e-05 -3.27514 63.546000 Cu 0.331833 0.314701 2.45288e-17 754 63.546 0.000180296 -3.27557 63.546000 Cu 0.366347 0.293131 0 720 63.546 6.57341e-05 -3.275 63.546000 Cu 0.487088 0.280165 1.18496e-17 724 63.546 5.02975e-06 -3.27423 63.546000 Cu 0.426712 0.286648 0.5 726 63.546 2.52992e-05 -3.27463 63.546000 Cu 0.392217 0.308203 0.5 756 63.546 6.87578e-05 -3.27493 63.546000 Cu 0.452614 0.301707 2.45288e-17 758 63.546 1.35138e-05 -3.27413 63.546000 Cu 0.478544 0.316749 0.5 761 63.546 6.46172e-05 -3.27329 63.546000 Cu 0.538922 0.310277 2.45288e-17 759 63.546 0.000146281 -3.27276 63.546000 Cu 0.512997 0.295222 0.5 760 63.546 2.36437e-05 -3.27354 63.546000 Cu 0.57336 0.288754 0 762 63.546 5.5774e-05 -3.27328 63.546000 Cu 0.659554 0.297399 5.66413e-17 763 63.546 5.94335e-05 -3.27343 63.546000 Cu 0.633695 0.282303 0.5 764 63.546 4.94731e-05 -3.27323 63.546000 Cu 0.599253 0.303831 0.5 765 63.546 0.000132575 -3.27296 63.546000 Cu 0.625102 0.318938 2.71357e-17 796 63.546 0.000133464 -3.27307 63.546000 Cu 0.780141 0.284524 1.77745e-17 767 63.546 2.22586e-05 -3.27439 63.546000 Cu 0.719842 0.290967 0.5 769 63.546 1.41933e-05 -3.27392 63.546000 Cu 0.685361 0.312523 0.5 798 63.546 2.76757e-05 -3.27396 63.546000 Cu 0.745637 0.306091 1.11268e-16 800 63.546 4.66368e-05 -3.27456 63.546000 Cu 0.831751 0.314736 0 801 63.546 0.000189131 -3.27562 63.546000 Cu 0.805943 0.299635 0.5 802 63.546 8.60078e-05 -3.27491 63.546000 Cu 0.952547 0.301725 3.55489e-19 675 63.546 3.6253e-05 -3.27443 63.546000 Cu 0.98705 0.280176 1.18496e-19 676 63.546 1.4621e-05 -3.27435 63.546000 Cu 0.978488 0.316759 0.5 709 63.546 4.84441e-05 -3.2736 63.546000 Cu 0.866291 0.293157 1.09017e-17 804 63.546 7.50171e-05 -3.27496 63.546000 Cu 0.926663 0.286667 0.5 805 63.546 4.31481e-05 -3.27472 63.546000 Cu 0.892138 0.308232 0.5 806 63.546 0.000109747 -3.2752 63.546000 Cu 0.00447679 0.331779 3.42455e-17 708 63.546 0.000383157 -3.27214 63.546000 Cu 0.0648481 0.325322 0.5 714 63.546 0.000432857 -3.27219 63.546000 Cu 0.0304573 0.346822 0.5 744 63.546 0.00109247 -3.27161 63.546000 Cu 0.0907243 0.340426 1.04514e-16 746 63.546 0.000432192 -3.27254 63.546000 Cu 0.15096 0.334036 0.5 748 63.546 7.95715e-05 -3.27399 63.546000 Cu 0.116483 0.355593 0.5 749 63.546 0.000140144 -3.27377 63.546000 Cu 0.176674 0.349211 2.45288e-17 747 63.546 0.00022389 -3.27518 63.546000 Cu 0.211199 0.327628 1.00366e-16 750 63.546 0.000102311 -3.27512 63.546000 Cu 0.297282 0.336289 2.45288e-17 751 63.546 0.000414249 -3.27608 63.546000 Cu 0.271489 0.321181 0.5 752 63.546 0.000210694 -3.27579 63.546000 Cu 0.236934 0.342776 0.5 753 63.546 0.000479381 -3.27579 63.546000 Cu 0.262698 0.357893 1.13875e-16 784 63.546 0.000878369 -3.27628 63.546000 Cu 0.323134 0.351351 0.5 786 63.546 0.000384858 -3.27574 63.546000 Cu 0.418127 0.32325 5.74707e-17 755 63.546 3.256e-05 -3.2744 63.546000 Cu 0.357694 0.32977 0.5 757 63.546 0.000158667 -3.27549 63.546000 Cu 0.383609 0.344801 0 788 63.546 7.82124e-05 -3.27481 63.546000 Cu 0.470054 0.35329 1 789 63.546 0.000853959 -3.27168 63.546000 Cu 0.444079 0.338273 0.5 790 63.546 0.000147884 -3.27335 63.546000 Cu 0.4096 0.359792 0.5 791 63.546 0.000270481 -3.27323 63.546000 Cu 0.504491 0.33179 1.29872e-16 792 63.546 0.000368218 -3.27215 63.546000 Cu 0.590644 0.340472 3.96963e-17 793 63.546 0.000294915 -3.27265 63.546000 Cu 0.564825 0.325352 0.5 794 63.546 0.000331786 -3.2722 63.546000 Cu 0.530395 0.346859 0.5 795 63.546 0.000821704 -3.27147 63.546000 Cu 0.65087 0.334084 0.5 799 63.546 6.09895e-05 -3.27414 63.546000 Cu 0.616367 0.355651 0.5 829 63.546 0.000122127 -3.27403 63.546000 Cu 0.711117 0.327669 2.45288e-17 797 63.546 0.000100558 -3.27513 63.546000 Cu 0.771408 0.321219 0.5 803 63.546 0.000191425 -3.27556 63.546000 Cu 0.676559 0.349263 1.16956e-16 831 63.546 0.000246325 -3.27568 63.546000 Cu 0.762561 0.357946 2.45288e-17 832 63.546 0.00110632 -3.27649 63.546000 Cu 0.736843 0.342822 0.5 833 63.546 0.000449048 -3.27639 63.546000 Cu 0.797189 0.336333 2.84391e-18 835 63.546 0.000487992 -3.2763 63.546000 Cu 0.823024 0.351398 0.5 838 63.546 0.000662488 -3.27554 63.546000 Cu 0.944027 0.338285 0.5 710 63.546 0.000109079 -3.27301 63.546000 Cu 0.970066 0.353276 1 742 63.546 0.000885065 -3.27209 63.546000 Cu 0.88353 0.344834 1.18496e-19 836 63.546 0.000183423 -3.27428 63.546000 Cu 0.857601 0.32981 0.5 837 63.546 0.0002899 -3.27572 63.546000 Cu 0.91804 0.323279 5.92482e-19 839 63.546 9.5381e-05 -3.27469 63.546000 Cu 0.909571 0.3598 0.5 871 63.546 0.000241936 -3.27373 63.546000 Cu 0.0563199 0.361947 1.18496e-19 743 63.546 0.000865037 -3.27151 63.546000 Cu 0.0219018 0.383432 1 776 63.546 0.00220998 -3.26938 63.546000 Cu 0.107552 0.392436 0 777 63.546 0.00123395 -3.27649 63.546000 Cu 0.0820088 0.37715 0.5 778 63.546 0.000337253 -3.27329 63.546000 Cu 0.0475491 0.398694 0.5 779 63.546 0.000861259 -3.27104 63.546000 Cu 0.142129 0.370815 2.45288e-17 780 63.546 0.000558661 -3.27598 63.546000 Cu 0.228076 0.379525 1.09372e-16 781 63.546 0.00183864 -3.27788 63.546000 Cu 0.202357 0.364388 0.5 782 63.546 0.000975525 -3.27693 63.546000 Cu 0.167712 0.38604 0.5 783 63.546 0.00236941 -3.27839 63.546000 Cu 0.288547 0.372947 0.5 787 63.546 0.000834604 -3.27595 63.546000 Cu 0.253914 0.394566 0.5 817 63.546 0.00155215 -3.27752 63.546000 Cu 0.314537 0.38792 4.26587e-17 819 63.546 0.000377197 -3.27614 63.546000 Cu 0.349075 0.366355 8.70948e-17 785 63.546 0.000182845 -3.27476 63.546000 Cu 0.401307 0.396208 9.45601e-17 820 63.546 0.00350377 -3.26985 63.546000 Cu 0.375127 0.381303 0.5 821 63.546 0.000391958 -3.27441 63.546000 Cu 0.435646 0.374764 4.85835e-17 823 63.546 0.00181902 -3.27096 63.546000 Cu 0.496016 0.368344 0.5 825 63.546 0.00198405 -3.27005 63.546000 Cu 0.461732 0.389773 0.5 826 63.546 0.00546383 -3.26609 63.546000 Cu 0.521872 0.383497 0 824 63.546 0.00176999 -3.269 63.546000 Cu 0.556212 0.362 8.2355e-17 827 63.546 0.000645908 -3.27191 63.546000 Cu 0.642 0.370877 4.64506e-17 828 63.546 0.000574439 -3.27509 63.546000 Cu 0.581921 0.377219 0.5 830 63.546 0.000320057 -3.27258 63.546000 Cu 0.547498 0.398768 0.5 860 63.546 0.000905789 -3.27138 63.546000 Cu 0.607453 0.392506 2.45288e-17 862 63.546 0.00128283 -3.27635 63.546000 Cu 0.702205 0.364447 0.5 834 63.546 0.00108324 -3.27658 63.546000 Cu 0.667581 0.386105 0.5 864 63.546 0.0024008 -3.27831 63.546000 Cu 0.727901 0.379587 8.2829e-17 866 63.546 0.00231322 -3.27835 63.546000 Cu 0.814449 0.387954 2.22773e-17 867 63.546 0.000412265 -3.276 63.546000 Cu 0.788396 0.372995 0.5 868 63.546 0.00113584 -3.27682 63.546000 Cu 0.753793 0.394626 0.5 869 63.546 0.00203907 -3.27778 63.546000 Cu 0.935639 0.374758 2.36993e-19 741 63.546 0.00155921 -3.27117 63.546000 Cu 0.996074 0.368304 0.5 745 63.546 0.00233202 -3.27021 63.546000 Cu 0.961692 0.389731 0.5 775 63.546 0.00564946 -3.26623 63.546000 Cu 0.848973 0.366385 1.18496e-19 870 63.546 0.000240207 -3.2753 63.546000 Cu 0.87507 0.381315 0.5 872 63.546 0.000355677 -3.27421 63.546000 Cu 0.901228 0.396196 4.51471e-17 902 63.546 0.00313142 -3.2693 63.546000 Cu 0.0385348 0.435748 2.51212e-17 808 63.546 0.00761663 -3.26777 63.546000 Cu 0.0132553 0.420178 0.5 809 63.546 0.0030529 -3.26609 63.546000 Cu 0.0730009 0.414069 0 811 63.546 0.0029754 -3.2773 63.546000 Cu 0.158597 0.422949 8.3066e-17 812 63.546 0.0138803 -3.28476 63.546000 Cu 0.133028 0.407731 0.5 813 63.546 0.00557387 -3.28172 63.546000 Cu 0.0982756 0.429494 0.5 814 63.546 0.0155295 -3.28369 63.546000 Cu 0.193344 0.401201 8.47249e-17 815 63.546 0.0045427 -3.28045 63.546000 Cu 0.280026 0.409493 3.23495e-17 816 63.546 0.000820093 -3.27611 63.546000 Cu 0.219252 0.416208 0.5 818 63.546 0.00339719 -3.2779 63.546000 Cu 0.184425 0.437846 0.5 848 63.546 0.00635317 -3.26951 63.546000 Cu 0.245637 0.431017 2.45288e-17 850 63.546 0.0017177 -3.27432 63.546000 Cu 0.333025 0.438961 6.77799e-17 851 63.546 0.0169712 -3.26882 63.546000 Cu 0.306383 0.42435 0.5 852 63.546 0.00228399 -3.27971 63.546000 Cu 0.340672 0.402828 0.5 822 63.546 0.000600831 -3.2752 63.546000 Cu 0.367065 0.41761 2.45288e-17 854 63.546 0.00668471 -3.26727 63.546000 Cu 0.453597 0.426327 1.18496e-19 855 63.546 0.0117037 -3.25795 63.546000 Cu 0.427607 0.411118 0.5 856 63.546 0.0163876 -3.26003 63.546000 Cu 0.39397 0.432355 0.5 857 63.546 0.0487834 -3.2473 63.546000 Cu 0.48761 0.404934 2.45288e-17 858 63.546 0.00509601 -3.26513 63.546000 Cu 0.572914 0.414172 2.12109e-17 859 63.546 0.00318107 -3.27771 63.546000 Cu 0.513208 0.420282 0.5 861 63.546 0.00240782 -3.26618 63.546000 Cu 0.632909 0.407825 0.5 865 63.546 0.00622527 -3.28261 63.546000 Cu 0.538499 0.435858 1 890 63.546 0.00749232 -3.26704 63.546000 Cu 0.598212 0.429599 0.5 892 63.546 0.0151303 -3.28286 63.546000 Cu 0.658494 0.423056 1 894 63.546 0.0155298 -3.28482 63.546000 Cu 0.693216 0.401282 1.38641e-17 863 63.546 0.00554098 -3.28145 63.546000 Cu 0.745552 0.431071 2.45288e-17 895 63.546 0.00206131 -3.27451 63.546000 Cu 0.719114 0.416286 0.5 896 63.546 0.00420273 -3.27811 63.546000 Cu 0.6843 0.437956 0.5 897 63.546 0.00781273 -3.26957 63.546000 Cu 0.779913 0.409524 1.52505e-16 898 63.546 0.000805713 -3.27497 63.546000 Cu 0.806244 0.424362 0.5 901 63.546 0.00242882 -3.27966 63.546000 Cu 0.832994 0.438955 2.45288e-17 919 63.546 0.0159917 -3.2697 63.546000 Cu 0.987634 0.404856 1 774 63.546 0.00597432 -3.26521 63.546000 Cu 0.953614 0.426227 1.07358e-16 807 63.546 0.0143317 -3.25693 63.546000 Cu 0.866956 0.417597 4.62136e-17 899 63.546 0.0063041 -3.26651 63.546000 Cu 0.840571 0.402836 0.5 900 63.546 0.000588206 -3.27372 63.546000 Cu 0.927516 0.411079 0.5 903 63.546 0.0150344 -3.25947 63.546000 Cu 0.89398 0.432302 0.5 921 63.546 0.0494804 -3.24788 63.546000 Cu 0.00492016 0.457635 4.26587e-17 842 63.546 0.029534 -3.23435 63.546000 Cu 0.0895286 0.46734 7.82076e-17 843 63.546 0.49632 -3.23651 63.546000 Cu 0.063882 0.451375 0.5 844 63.546 0.0374867 -3.26069 63.546000 Cu 0.0312274 0.473362 0.5 845 63.546 0.640581 -3.14536 63.546000 Cu 0.12352 0.444837 6.20921e-17 846 63.546 0.0547697 -3.27947 63.546000 Cu 0.149696 0.459613 0.5 849 63.546 0.050524 -3.22452 63.546000 Cu 0.211047 0.45244 2.12109e-17 847 63.546 0.0461608 -3.22784 63.546000 Cu 0.271666 0.44589 0.5 853 63.546 0.0276387 -3.28079 63.546000 Cu 0.179838 0.473677 1 878 63.546 1.28129 -3.01868 63.546000 Cu 0.236967 0.468032 0.5 880 63.546 0.572227 -3.2355 63.546000 Cu 0.297396 0.460097 4.73986e-19 882 63.546 0.106534 -3.19766 63.546000 Cu 0.326224 0.473572 0.5 885 63.546 2.1235 -2.92791 63.546000 Cu 0.384644 0.468938 7.10978e-19 883 63.546 0.535121 -3.19809 63.546000 Cu 0.360673 0.453282 0.5 884 63.546 0.209138 -3.20768 63.546000 Cu 0.420255 0.447705 4.73986e-19 886 63.546 0.0338594 -3.25454 63.546000 Cu 0.479489 0.441742 0.5 888 63.546 0.0119828 -3.24738 63.546000 Cu 0.446425 0.463066 0.5 889 63.546 0.137408 -3.21537 63.546000 Cu 0.469684 0.479933 1 907 63.546 2.29531 -3.26143 63.546000 Cu 0.504864 0.457734 7.82076e-18 887 63.546 0.0291297 -3.23602 63.546000 Cu 0.623504 0.444963 1 891 63.546 0.056355 -3.2785 63.546000 Cu 0.563851 0.451476 0.5 893 63.546 0.0357105 -3.25949 63.546000 Cu 0.531125 0.473444 0.5 909 63.546 0.652454 -3.14301 63.546000 Cu 0.589501 0.467459 1 911 63.546 0.502208 -3.23633 63.546000 Cu 0.649568 0.45975 0.5 913 63.546 0.0532234 -3.22402 63.546000 Cu 0.826329 0.473569 0.5 448 63.546 2.01975 -2.93591 63.546000 Cu 0.679802 0.473784 0 912 63.546 1.24944 -3.02188 63.546000 Cu 0.710953 0.452524 1 915 63.546 0.0443899 -3.22824 63.546000 Cu 0.797385 0.460096 3.69709e-17 916 63.546 0.106472 -3.19779 63.546000 Cu 0.771581 0.445912 0.5 917 63.546 0.0262465 -3.27985 63.546000 Cu 0.736991 0.468059 0.5 918 63.546 0.553757 -3.23735 63.546000 Cu 0.88472 0.468838 1 42 63.546 0.516886 -3.19899 63.546000 Cu 0.979555 0.44164 0.5 810 63.546 0.0129524 -3.24677 63.546000 Cu 0.969777 0.479796 3.55489e-19 840 63.546 2.2384 -3.25679 63.546000 Cu 0.94658 0.462958 0.5 841 63.546 0.141576 -3.2143 63.546000 Cu 0.920338 0.447606 0 920 63.546 0.036828 -3.25588 63.546000 Cu 0.860661 0.453252 0.5 922 63.546 0.199312 -3.21049 63.546000 Cu 0.0354555 0.513273 0.5 3 63.546 0.529036 -3.18584 63.546000 Cu 0.119313 0.505355 0.5 44 63.546 1.79869 -3.09133 63.546000 Cu 0.0601357 0.493611 4.37252e-17 875 63.546 9.75784 -3.57883 63.546000 Cu 0.152664 0.493441 1 876 63.546 10.7946 -2.5129 63.546000 Cu 0.115655 0.481737 0.5 877 63.546 2.26043 -3.14816 63.546000 Cu 0.0944881 0.519613 4.97685e-18 43 63.546 0.410419 -3.23845 63.546000 Cu 0.269436 0.505266 1.05225e-16 17 63.546 1.46627 -3.15197 63.546000 Cu 0.331746 0.513192 0.5 20 63.546 1.15571 -3.01475 63.546000 Cu 0.184498 0.512984 1 45 63.546 0.818852 -3.07978 63.546000 Cu 0.242387 0.519088 0.5 47 63.546 0.364226 -3.23923 63.546000 Cu 0.264938 0.482099 2.46472e-17 879 63.546 2.16316 -3.20881 63.546000 Cu 0.212833 0.493879 0.5 881 63.546 8.60555 -3.54716 63.546000 Cu 0.30467 0.493465 0.5 904 63.546 9.99196 -2.57387 63.546000 Cu 0.390242 0.518368 1 18 63.546 0.320076 -3.19811 63.546000 Cu 0.414094 0.504109 0.5 19 63.546 6.63242 -2.87136 63.546000 Cu 0.4746 0.507619 2.36993e-19 21 63.546 1.57874 -3.20823 63.546000 Cu 0.363794 0.494155 8.65024e-18 905 63.546 7.67506 -3.43245 63.546000 Cu 0.408458 0.483115 0.5 906 63.546 7.46973 -2.87292 63.546000 Cu 0.496308 0.493467 0.5 910 63.546 11.9318 -2.80636 63.546000 Cu 0.619477 0.50549 0.5 5 63.546 1.76121 -3.0939 63.546000 Cu 0.535669 0.513416 0.5 23 63.546 0.527331 -3.18489 63.546000 Cu 0.560232 0.493744 1 908 63.546 9.74285 -3.57511 63.546000 Cu 0.615498 0.481874 0.5 914 63.546 2.29137 -3.14864 63.546000 Cu 0.652688 0.493533 1 923 63.546 10.8352 -2.5127 63.546000 Cu 0.594436 0.519744 3.55489e-19 25 63.546 0.417369 -3.23778 63.546000 Cu 0.684358 0.513106 3.55489e-19 4 63.546 0.838623 -3.07679 63.546000 Cu 0.769127 0.505251 4.73986e-19 6 63.546 1.50475 -3.15648 63.546000 Cu 0.831355 0.513198 0.5 8 63.546 1.23371 -3.00724 63.546000 Cu 0.742132 0.519135 0.5 9 63.546 0.381121 -3.23828 63.546000 Cu 0.804574 0.493469 0.5 435 63.546 10.1026 -2.56923 63.546000 Cu 0.765073 0.482091 3.98148e-17 465 63.546 2.09481 -3.2056 63.546000 Cu 0.712844 0.493886 0.5 924 63.546 8.69101 -3.54623 63.546000 Cu 0.908675 0.483007 0.5 1 63.546 7.40634 -2.87286 63.546000 Cu 0.913614 0.504022 0.5 2 63.546 6.69638 -2.87252 63.546000 Cu 0.889902 0.518272 2.36993e-19 10 63.546 0.335548 -3.19888 63.546000 Cu 0.863608 0.493978 1 452 63.546 7.83772 -3.43424 63.546000 Cu 0.97418 0.507469 2.60692e-18 873 63.546 1.62729 -3.20798 63.546000 Cu 0.996084 0.493374 0.5 874 63.546 11.8453 -2.8047 63.546000 Cu 0.0106112 0.529284 6.90834e-17 14 63.546 0.0245854 -3.23732 63.546000 Cu 0.0453619 0.551056 5.90112e-17 15 63.546 0.00784321 -3.26764 63.546000 Cu 0.15533 0.527156 0.5 48 63.546 0.037655 -3.23069 63.546000 Cu 0.0697356 0.535386 0.5 75 63.546 0.0459426 -3.27078 63.546000 Cu 0.129937 0.541931 1.18496e-19 76 63.546 0.0500479 -3.27951 63.546000 Cu 0.105232 0.557252 0.5 79 63.546 0.0176229 -3.28447 63.546000 Cu 0.217084 0.534333 4.27772e-17 46 63.546 0.0261425 -3.23747 63.546000 Cu 0.303543 0.526887 0 49 63.546 0.0648671 -3.20891 63.546000 Cu 0.278051 0.541051 0.5 52 63.546 0.0176529 -3.27482 63.546000 Cu 0.191072 0.548871 0.5 78 63.546 0.00930163 -3.26991 63.546000 Cu 0.252468 0.5558 2.45288e-17 80 63.546 0.002125 -3.27499 63.546000 Cu 0.452094 0.524216 0.5 24 63.546 0.136948 -3.21552 63.546000 Cu 0.339636 0.548027 1 50 63.546 0.0153958 -3.26422 63.546000 Cu 0.366408 0.533714 0.5 51 63.546 0.1459 -3.22036 63.546000 Cu 0.426554 0.539449 0 53 63.546 0.0370531 -3.25662 63.546000 Cu 0.486132 0.545421 0.5 55 63.546 0.0202182 -3.2457 63.546000 Cu 0.400785 0.554622 0.5 56 63.546 0.0376896 -3.25154 63.546000 Cu 0.510761 0.529442 2.47657e-17 22 63.546 0.0229379 -3.23618 63.546000 Cu 0.629913 0.542097 3.55489e-19 26 63.546 0.047905 -3.27996 63.546000 Cu 0.655269 0.527323 0.5 27 63.546 0.0374278 -3.23078 63.546000 Cu 0.569788 0.535549 0.5 28 63.546 0.0455448 -3.26955 63.546000 Cu 0.545349 0.551225 2.36993e-19 57 63.546 0.00739326 -3.26719 63.546000 Cu 0.605245 0.557418 0.5 59 63.546 0.0175226 -3.28419 63.546000 Cu 0.803244 0.526894 1.18496e-19 7 63.546 0.0709903 -3.2073 63.546000 Cu 0.716972 0.534433 1.7182e-17 29 63.546 0.0259886 -3.23697 63.546000 Cu 0.752434 0.555872 7.46527e-17 30 63.546 0.00160741 -3.27614 63.546000 Cu 0.777978 0.541085 0.5 31 63.546 0.018859 -3.27639 63.546000 Cu 0.691039 0.549034 0.5 32 63.546 0.0069422 -3.27067 63.546000 Cu 0.926429 0.539361 6.99129e-17 11 63.546 0.0367455 -3.25656 63.546000 Cu 0.951963 0.524076 0.5 12 63.546 0.139038 -3.21533 63.546000 Cu 0.866355 0.53366 0.5 13 63.546 0.151979 -3.22027 63.546000 Cu 0.986044 0.545275 0.5 16 63.546 0.018644 -3.24582 63.546000 Cu 0.839567 0.548003 3.78003e-17 33 63.546 0.0150779 -3.26628 63.546000 Cu 0.900734 0.554554 0.5 35 63.546 0.0368395 -3.25004 63.546000 Cu 0.0206178 0.56663 0.5 39 63.546 0.00354864 -3.26361 63.546000 Cu 0.05532 0.588122 0.5 41 63.546 0.000921777 -3.27102 63.546000 Cu 0.0803927 0.572715 1.96704e-17 108 63.546 0.00278605 -3.27696 63.546000 Cu 0.11541 0.594358 1.1506e-16 109 63.546 0.00150631 -3.27665 63.546000 Cu 0.140495 0.57901 0.5 110 63.546 0.00857401 -3.28254 63.546000 Cu 0.165728 0.563788 3.2468e-17 77 63.546 0.0168936 -3.2859 63.546000 Cu 0.28748 0.577361 1 81 63.546 0.000918459 -3.27633 63.546000 Cu 0.313436 0.56256 0.5 82 63.546 0.00232301 -3.27679 63.546000 Cu 0.226531 0.570578 0.5 83 63.546 0.00410141 -3.27985 63.546000 Cu 0.200952 0.585562 5.59303e-17 111 63.546 0.00689166 -3.28159 63.546000 Cu 0.261641 0.592268 0.5 113 63.546 0.00172748 -3.27712 63.546000 Cu 0.322417 0.598936 2.04999e-17 115 63.546 0.000604479 -3.27496 63.546000 Cu 0.460767 0.560762 7.29938e-17 54 63.546 0.0160958 -3.25848 63.546000 Cu 0.374374 0.569324 6.97944e-17 84 63.546 0.0051593 -3.2673 63.546000 Cu 0.409091 0.590736 1.17904e-16 85 63.546 0.00318023 -3.27029 63.546000 Cu 0.435096 0.575874 0.5 86 63.546 0.0154526 -3.26242 63.546000 Cu 0.34828 0.584068 0.5 87 63.546 0.000534554 -3.27423 63.546000 Cu 0.495325 0.582115 8.1881e-17 88 63.546 0.00721065 -3.26613 63.546000 Cu 0.469714 0.597232 0.5 91 63.546 0.0064295 -3.26824 63.546000 Cu 0.580487 0.572862 5.92482e-19 58 63.546 0.00352802 -3.27704 63.546000 Cu 0.520621 0.566805 0.5 60 63.546 0.00436157 -3.26449 63.546000 Cu 0.640667 0.579182 0.5 64 63.546 0.00612228 -3.28237 63.546000 Cu 0.555443 0.58827 0.5 90 63.546 0.00115995 -3.27153 63.546000 Cu 0.615544 0.594494 3.55489e-19 92 63.546 0.00143198 -3.27658 63.546000 Cu 0.665717 0.563957 4.73986e-19 61 63.546 0.0138182 -3.28454 63.546000 Cu 0.813454 0.56258 0.5 36 63.546 0.00210462 -3.27891 63.546000 Cu 0.701221 0.585689 1 62 63.546 0.00526003 -3.28116 63.546000 Cu 0.726628 0.570681 0.5 63 63.546 0.00390121 -3.2791 63.546000 Cu 0.787714 0.577408 2.96241e-17 65 63.546 0.000835778 -3.27707 63.546000 Cu 0.822651 0.598973 0 66 63.546 0.000450078 -3.27596 63.546000 Cu 0.761902 0.592326 0.5 68 63.546 0.00189062 -3.27798 63.546000 Cu 0.87447 0.569291 0 34 63.546 0.00595067 -3.2676 63.546000 Cu 0.960791 0.560625 1 37 63.546 0.0141153 -3.25671 63.546000 Cu 0.995346 0.581967 1.66487e-16 38 63.546 0.00555048 -3.26483 63.546000 Cu 0.935171 0.575758 0.5 40 63.546 0.0125691 -3.26152 63.546000 Cu 0.848581 0.584081 0.5 67 63.546 0.000582741 -3.27482 63.546000 Cu 0.90928 0.590686 2.45288e-17 69 63.546 0.00340245 -3.27039 63.546000 Cu 0.969783 0.597119 0.5 71 63.546 0.00496061 -3.26734 63.546000 Cu 0.0300422 0.603411 6.52915e-17 73 63.546 0.00227881 -3.2693 63.546000 Cu 0.00441345 0.618571 0.5 74 63.546 0.00221287 -3.26979 63.546000 Cu 0.0646193 0.624918 7.26383e-17 141 63.546 0.000909596 -3.27094 63.546000 Cu 0.0901576 0.609681 0.5 142 63.546 0.000496604 -3.27202 63.546000 Cu 0.150257 0.615998 4.66876e-17 143 63.546 0.000996684 -3.27483 63.546000 Cu 0.124772 0.631251 0.5 146 63.546 0.000188771 -3.27313 63.546000 Cu 0.236039 0.607289 6.06702e-17 112 63.546 0.00245475 -3.27773 63.546000 Cu 0.175609 0.600743 0.5 114 63.546 0.0038143 -3.27853 63.546000 Cu 0.296653 0.613901 0.5 118 63.546 0.00106412 -3.27627 63.546000 Cu 0.184967 0.63763 2.45288e-17 144 63.546 0.000473892 -3.27593 63.546000 Cu 0.210523 0.622433 0.5 145 63.546 0.00146793 -3.27726 63.546000 Cu 0.270951 0.628954 1.29754e-16 147 63.546 0.00116487 -3.27761 63.546000 Cu 0.331506 0.635525 0.5 149 63.546 0.000654088 -3.27716 63.546000 Cu 0.357348 0.620526 5.69968e-17 116 63.546 0.000354202 -3.27591 63.546000 Cu 0.383189 0.605606 0.5 117 63.546 0.000285099 -3.27441 63.546000 Cu 0.443918 0.612202 1 119 63.546 0.00202912 -3.2716 63.546000 Cu 0.478604 0.633691 6.5173e-17 120 63.546 0.00130248 -3.27116 63.546000 Cu 0.418039 0.627144 0.5 122 63.546 0.000379606 -3.27394 63.546000 Cu 0.530091 0.603541 2.36993e-19 89 63.546 0.00306157 -3.26921 63.546000 Cu 0.650464 0.616106 1 93 63.546 0.000733752 -3.27544 63.546000 Cu 0.590253 0.609791 0.5 95 63.546 0.000375895 -3.27143 63.546000 Cu 0.504465 0.618671 0.5 121 63.546 0.0032562 -3.269 63.546000 Cu 0.564782 0.625013 0 123 63.546 0.00129846 -3.26987 63.546000 Cu 0.624988 0.63134 0.5 125 63.546 0.000291907 -3.27374 63.546000 Cu 0.67582 0.600866 0.5 94 63.546 0.00266432 -3.27873 63.546000 Cu 0.736263 0.607373 2.57137e-17 96 63.546 0.00217549 -3.27827 63.546000 Cu 0.771196 0.629029 1 97 63.546 0.000845301 -3.27751 63.546000 Cu 0.7969 0.613952 0.5 98 63.546 0.00104955 -3.27681 63.546000 Cu 0.710797 0.622525 0.5 99 63.546 0.00113342 -3.27749 63.546000 Cu 0.831633 0.635579 0.5 103 63.546 0.000403468 -3.27657 63.546000 Cu 0.685195 0.63772 1.04988e-16 127 63.546 0.000351793 -3.27596 63.546000 Cu 0.944038 0.612146 5.28494e-17 70 63.546 0.00222316 -3.27114 63.546000 Cu 0.883394 0.605603 0.5 72 63.546 0.000475986 -3.27413 63.546000 Cu 0.857505 0.620548 2.36993e-19 100 63.546 0.000362477 -3.27545 63.546000 Cu 0.918071 0.627129 0.5 102 63.546 0.000342016 -3.27363 63.546000 Cu 0.978517 0.633641 2.45288e-17 104 63.546 0.000943081 -3.27173 63.546000 Cu 0.0129738 0.655159 1 105 63.546 0.000404113 -3.27244 63.546000 Cu 0.0388678 0.640074 0.5 106 63.546 0.00101228 -3.27157 63.546000 Cu 0.0474376 0.676698 1.00011e-16 139 63.546 0.00016416 -3.27299 63.546000 Cu 0.0991119 0.646455 2.45288e-17 175 63.546 0.000362125 -3.27254 63.546000 Cu 0.13359 0.668013 1 176 63.546 0.000142882 -3.27324 63.546000 Cu 0.159329 0.652839 0.5 177 63.546 8.27656e-05 -3.27464 63.546000 Cu 0.0733136 0.661599 0.5 178 63.546 0.000378855 -3.27247 63.546000 Cu 0.305665 0.650595 2.78467e-17 148 63.546 0.000601 -3.27669 63.546000 Cu 0.245267 0.644086 0.5 150 63.546 0.000668584 -3.27734 63.546000 Cu 0.219574 0.659258 0 179 63.546 0.000170554 -3.27568 63.546000 Cu 0.279872 0.665716 0.5 181 63.546 0.00030389 -3.27522 63.546000 Cu 0.193845 0.674427 0.5 182 63.546 3.10927e-05 -3.27376 63.546000 Cu 0.392061 0.642113 5.62858e-17 151 63.546 0.000182055 -3.27534 63.546000 Cu 0.426548 0.663689 9.47971e-17 152 63.546 7.54131e-05 -3.2741 63.546000 Cu 0.452576 0.648684 0.5 153 63.546 0.000198853 -3.2733 63.546000 Cu 0.366097 0.657135 0.5 154 63.546 0.000341921 -3.27512 63.546000 Cu 0.487008 0.670227 0.5 158 63.546 0.000103886 -3.27355 63.546000 Cu 0.34022 0.672208 2.45288e-17 183 63.546 0.000322777 -3.27459 63.546000 Cu 0.400613 0.67873 0.5 185 63.546 0.000185763 -3.27474 63.546000 Cu 0.599262 0.646532 2.45288e-17 124 63.546 0.000498786 -3.27284 63.546000 Cu 0.538997 0.640142 0.5 126 63.546 0.00131693 -3.27086 63.546000 Cu 0.65948 0.652917 0.5 130 63.546 7.18114e-05 -3.27431 63.546000 Cu 0.513016 0.655199 2.38178e-17 155 63.546 0.000546592 -3.27225 63.546000 Cu 0.547447 0.67673 2.45288e-17 156 63.546 0.000245102 -3.27313 63.546000 Cu 0.573387 0.661657 0.5 157 63.546 0.000536286 -3.27244 63.546000 Cu 0.633692 0.668078 3.53119e-17 159 63.546 0.000216757 -3.27297 63.546000 Cu 0.719722 0.65933 5.09534e-18 128 63.546 0.000138516 -3.27494 63.546000 Cu 0.74546 0.644167 0.5 129 63.546 0.000455316 -3.27634 63.546000 Cu 0.805811 0.650665 1 131 63.546 0.000311211 -3.27584 63.546000 Cu 0.780018 0.665783 0.5 134 63.546 0.000215791 -3.27514 63.546000 Cu 0.693961 0.67449 0.5 161 63.546 3.08343e-05 -3.27369 63.546000 Cu 0.892094 0.642136 1 101 63.546 0.000108606 -3.27501 63.546000 Cu 0.952557 0.64867 0.5 107 63.546 0.000140132 -3.27335 63.546000 Cu 0.840373 0.672272 6.06702e-17 132 63.546 0.000137179 -3.2752 63.546000 Cu 0.866211 0.657187 0.5 133 63.546 0.000134049 -3.27522 63.546000 Cu 0.92664 0.663712 3.55489e-19 135 63.546 3.00857e-05 -3.27455 63.546000 Cu 0.987055 0.67022 0.5 137 63.546 7.22724e-05 -3.27369 63.546000 Cu 0.900761 0.678779 0.5 138 63.546 3.98918e-05 -3.275 63.546000 Cu 0.0215519 0.691777 0.5 140 63.546 4.36383e-05 -3.27372 63.546000 Cu 0.056047 0.713339 0.5 173 63.546 3.11247e-05 -3.27411 63.546000 Cu 0.0819119 0.698246 3.76819e-17 208 63.546 6.87805e-05 -3.27324 63.546000 Cu 0.10777 0.683144 0.5 209 63.546 0.00013492 -3.27272 63.546000 Cu 0.142239 0.704696 0.5 213 63.546 4.7657e-05 -3.27325 63.546000 Cu 0.116396 0.719806 1.32716e-17 241 63.546 3.59232e-05 -3.2739 63.546000 Cu 0.254114 0.680859 2.45288e-17 180 63.546 7.51691e-05 -3.27397 63.546000 Cu 0.314415 0.687318 0.5 186 63.546 0.000174016 -3.27444 63.546000 Cu 0.168063 0.689573 8.2829e-17 210 63.546 4.4007e-05 -3.27298 63.546000 Cu 0.202543 0.711136 6.17366e-17 211 63.546 1.16697e-05 -3.2736 63.546000 Cu 0.228343 0.696002 0.5 212 63.546 1.29914e-05 -3.27356 63.546000 Cu 0.288636 0.702448 1.18496e-19 214 63.546 5.58413e-05 -3.27444 63.546000 Cu 0.262845 0.717581 0.5 217 63.546 1.28216e-05 -3.27413 63.546000 Cu 0.374768 0.693812 4.9413e-17 184 63.546 0.000161861 -3.2753 63.546000 Cu 0.461056 0.685265 2.21588e-17 187 63.546 4.36598e-05 -3.27486 63.546000 Cu 0.495606 0.70685 1 188 63.546 1.75824e-05 -3.27497 63.546000 Cu 0.435176 0.70033 0.5 190 63.546 5.85412e-05 -3.27559 63.546000 Cu 0.348968 0.708922 0.5 216 63.546 8.30457e-05 -3.27527 63.546000 Cu 0.409343 0.71542 8.57914e-17 218 63.546 4.83539e-05 -3.27551 63.546000 Cu 0.607828 0.683191 0.5 162 63.546 0.000214285 -3.27285 63.546000 Cu 0.521507 0.691786 0.5 189 63.546 6.0106e-05 -3.27426 63.546000 Cu 0.581922 0.698276 2.45288e-17 191 63.546 0.000104689 -3.27355 63.546000 Cu 0.616404 0.719831 2.36993e-19 192 63.546 4.37188e-05 -3.27352 63.546000 Cu 0.642285 0.704738 0.5 193 63.546 8.03994e-05 -3.27332 63.546000 Cu 0.556023 0.713352 0.5 194 63.546 3.51692e-05 -3.2741 63.546000 Cu 0.668148 0.689627 3.81558e-17 160 63.546 7.80621e-05 -3.2732 63.546000 Cu 0.754237 0.680921 1.7419e-17 163 63.546 6.90117e-05 -3.27447 63.546000 Cu 0.788739 0.702503 5.90112e-17 164 63.546 3.72471e-05 -3.27449 63.546000 Cu 0.81455 0.687381 0.5 165 63.546 0.000104297 -3.27492 63.546000 Cu 0.728442 0.696059 0.5 166 63.546 1.28157e-05 -3.27391 63.546000 Cu 0.702608 0.711183 8.88723e-18 195 63.546 2.58963e-05 -3.27355 63.546000 Cu 0.762915 0.717626 0.5 197 63.546 7.20098e-06 -3.27393 63.546000 Cu 0.961163 0.685286 1 136 63.546 1.07038e-05 -3.27445 63.546000 Cu 0.874905 0.693866 4.49101e-17 167 63.546 5.83806e-05 -3.27499 63.546000 Cu 0.909424 0.715451 1 168 63.546 2.14154e-05 -3.27486 63.546000 Cu 0.935287 0.700363 0.5 169 63.546 9.66825e-06 -3.27476 63.546000 Cu 0.849066 0.708968 0.5 170 63.546 5.05326e-05 -3.2748 63.546000 Cu 0.995673 0.706857 2.36993e-19 171 63.546 8.11373e-06 -3.27441 63.546000 Cu 0.0301817 0.72843 6.5884e-17 172 63.546 1.23285e-05 -3.27465 63.546000 Cu 0.00431785 0.743517 0.5 205 63.546 4.33338e-06 -3.27466 63.546000 Cu 0.150888 0.741374 3.55489e-19 242 63.546 2.41872e-05 -3.2741 63.546000 Cu 0.0905464 0.734909 0.5 244 63.546 2.99287e-05 -3.27441 63.546000 Cu 0.0646948 0.750004 1 274 63.546 2.63005e-05 -3.27456 63.546000 Cu 0.125052 0.756482 0.5 276 63.546 3.94677e-05 -3.27437 63.546000 Cu 0.323167 0.724042 2.36993e-19 215 63.546 3.86577e-05 -3.27459 63.546000 Cu 0.176722 0.72626 0.5 243 63.546 1.59237e-05 -3.27381 63.546000 Cu 0.237033 0.732708 2.01444e-18 245 63.546 1.96782e-06 -3.27379 63.546000 Cu 0.271518 0.754275 1 246 63.546 6.54551e-06 -3.27352 63.546000 Cu 0.297349 0.739159 0.5 247 63.546 1.91495e-05 -3.27384 63.546000 Cu 0.211208 0.747828 0.5 248 63.546 4.19106e-06 -3.27378 63.546000 Cu 0.443904 0.737014 1 219 63.546 1.3053e-05 -3.27477 63.546000 Cu 0.469747 0.721928 0.5 220 63.546 1.13315e-05 -3.2751 63.546000 Cu 0.383521 0.730521 0.5 221 63.546 3.88411e-05 -3.27481 63.546000 Cu 0.357687 0.745623 3.55489e-19 249 63.546 3.70437e-05 -3.27398 63.546000 Cu 0.418052 0.752101 0.5 251 63.546 2.42522e-05 -3.27418 63.546000 Cu 0.478439 0.758591 3.55489e-19 253 63.546 4.71625e-06 -3.27439 63.546000 Cu 0.530152 0.72843 3.55489e-19 222 63.546 1.00128e-05 -3.27448 63.546000 Cu 0.564684 0.750004 1 223 63.546 1.63665e-05 -3.27445 63.546000 Cu 0.590536 0.734918 0.5 224 63.546 2.31107e-05 -3.27398 63.546000 Cu 0.504298 0.743512 0.5 225 63.546 2.60962e-06 -3.27461 63.546000 Cu 0.650891 0.741388 3.55489e-19 226 63.546 2.1795e-05 -3.27365 63.546000 Cu 0.625048 0.756484 0.5 229 63.546 2.8834e-05 -3.27428 63.546000 Cu 0.737069 0.732738 2.36993e-19 196 63.546 3.36978e-06 -3.27336 63.546000 Cu 0.676749 0.72629 0.5 198 63.546 2.56287e-05 -3.27333 63.546000 Cu 0.823231 0.724078 3.98148e-17 199 63.546 2.29755e-05 -3.27428 63.546000 Cu 0.797385 0.739185 0.5 202 63.546 8.1024e-06 -3.27354 63.546000 Cu 0.711219 0.747843 0.5 228 63.546 6.25266e-06 -3.27342 63.546000 Cu 0.771533 0.754289 1 230 63.546 3.48134e-06 -3.27326 63.546000 Cu 0.969803 0.721941 0.5 174 63.546 5.72365e-07 -3.2748 63.546000 Cu 0.857715 0.745641 1 200 63.546 2.39596e-05 -3.2738 63.546000 Cu 0.883571 0.730546 0.5 201 63.546 2.48572e-05 -3.27452 63.546000 Cu 0.943938 0.737028 3.55489e-19 203 63.546 6.10247e-06 -3.27465 63.546000 Cu 0.978449 0.758596 3.55489e-19 204 63.546 4.49934e-06 -3.27431 63.546000 Cu 0.91807 0.752112 0.5 206 63.546 1.87914e-05 -3.27408 63.546000 Cu 0.0388364 0.765089 0.5 207 63.546 1.78585e-05 -3.27453 63.546000 Cu 0.012957 0.780159 1 238 63.546 8.86501e-06 -3.27429 63.546000 Cu 0.099215 0.771579 8.63839e-17 275 63.546 5.49364e-05 -3.2747 63.546000 Cu 0.159567 0.778058 0.5 280 63.546 6.87522e-05 -3.27469 63.546000 Cu 0.0733585 0.786661 0.5 307 63.546 5.00638e-05 -3.27477 63.546000 Cu 0.133744 0.793161 1 308 63.546 0.000130381 -3.27508 63.546000 Cu 0.331837 0.760724 0.5 252 63.546 3.84373e-05 -3.27344 63.546000 Cu 0.185383 0.762945 1 277 63.546 2.37864e-05 -3.27407 63.546000 Cu 0.219884 0.784518 8.17625e-18 278 63.546 3.63442e-05 -3.27435 63.546000 Cu 0.245691 0.769393 0.5 279 63.546 4.27641e-06 -3.27366 63.546000 Cu 0.305992 0.775833 1 281 63.546 3.11814e-05 -3.2733 63.546000 Cu 0.280174 0.790956 0.5 284 63.546 1.50914e-05 -3.27385 63.546000 Cu 0.194093 0.799643 0.5 310 63.546 0.000154953 -3.27503 63.546000 Cu 0.392182 0.767185 1 250 63.546 5.02645e-05 -3.27357 63.546000 Cu 0.452558 0.773663 0.5 256 63.546 2.37524e-05 -3.27392 63.546000 Cu 0.340459 0.797384 3.55489e-19 282 63.546 9.22853e-05 -3.27337 63.546000 Cu 0.366308 0.782275 0.5 283 63.546 9.0845e-05 -3.27318 63.546000 Cu 0.426658 0.788733 4.85835e-18 285 63.546 9.92043e-05 -3.27333 63.546000 Cu 0.487049 0.795217 0.5 287 63.546 3.92291e-05 -3.27365 63.546000 Cu 0.512956 0.780157 1.70635e-17 254 63.546 8.66466e-06 -3.2744 63.546000 Cu 0.538831 0.765086 0.5 255 63.546 1.40414e-05 -3.27462 63.546000 Cu 0.599212 0.771578 5.92482e-18 257 63.546 4.58783e-05 -3.27483 63.546000 Cu 0.633744 0.79316 4.73986e-19 258 63.546 0.000125548 -3.27521 63.546000 Cu 0.659566 0.778058 0.5 259 63.546 5.95408e-05 -3.27483 63.546000 Cu 0.573359 0.78666 0.5 260 63.546 4.92959e-05 -3.27489 63.546000 Cu 0.685384 0.762949 1 227 63.546 2.10131e-05 -3.27402 63.546000 Cu 0.805997 0.775838 1 231 63.546 3.091e-05 -3.27323 63.546000 Cu 0.831852 0.760736 0.5 232 63.546 2.78518e-05 -3.27325 63.546000 Cu 0.745695 0.769398 0.5 233 63.546 7.78878e-06 -3.27361 63.546000 Cu 0.719884 0.784519 1 261 63.546 3.43084e-05 -3.27447 63.546000 Cu 0.780175 0.790958 0.5 263 63.546 1.88705e-05 -3.27393 63.546000 Cu 0.694092 0.799643 0.5 264 63.546 0.000148624 -3.27514 63.546000 Cu 0.892193 0.767193 3.55489e-19 234 63.546 4.23468e-05 -3.27342 63.546000 Cu 0.926662 0.788736 2.36993e-19 235 63.546 9.63932e-05 -3.27328 63.546000 Cu 0.952563 0.773667 0.5 236 63.546 2.27486e-05 -3.27381 63.546000 Cu 0.866313 0.782279 0.5 237 63.546 8.56962e-05 -3.27311 63.546000 Cu 0.98705 0.795217 0.5 240 63.546 3.96567e-05 -3.27362 63.546000 Cu 0.840461 0.797385 2.36993e-19 265 63.546 9.35186e-05 -3.27341 63.546000 Cu 0.0474628 0.80172 1 239 63.546 2.0717e-05 -3.27421 63.546000 Cu 0.0215257 0.81676 0.5 271 63.546 8.36018e-05 -3.27343 63.546000 Cu 0.0559929 0.838298 0.5 273 63.546 0.000161108 -3.27353 63.546000 Cu 0.107886 0.808237 0.5 311 63.546 0.00011347 -3.27479 63.546000 Cu 0.0819688 0.823281 1 340 63.546 3.86465e-05 -3.27436 63.546000 Cu 0.142421 0.829818 0.5 342 63.546 0.000219337 -3.27527 63.546000 Cu 0.168284 0.81475 8.29475e-19 309 63.546 0.000274143 -3.27517 63.546000 Cu 0.254393 0.806097 2.07369e-17 312 63.546 7.02846e-05 -3.27469 63.546000 Cu 0.28892 0.827684 4.24217e-17 313 63.546 0.000146374 -3.27497 63.546000 Cu 0.314663 0.812523 0.5 314 63.546 2.9427e-05 -3.27394 63.546000 Cu 0.228634 0.821238 0.5 315 63.546 0.000322137 -3.27534 63.546000 Cu 0.202843 0.836349 1.29161e-17 343 63.546 0.000525549 -3.2761 63.546000 Cu 0.461118 0.810271 1 286 63.546 0.000214967 -3.27285 63.546000 Cu 0.400768 0.803817 0.5 288 63.546 0.000201069 -3.27291 63.546000 Cu 0.37492 0.818931 4.15922e-17 316 63.546 0.000203434 -3.27309 63.546000 Cu 0.43521 0.825349 0.5 318 63.546 0.000446383 -3.2724 63.546000 Cu 0.349155 0.834091 0.5 319 63.546 6.45126e-05 -3.27406 63.546000 Cu 0.495561 0.831798 1.18496e-19 320 63.546 0.000452904 -3.27253 63.546000 Cu 0.547463 0.80172 3.55489e-19 289 63.546 2.14531e-05 -3.27423 63.546000 Cu 0.581969 0.823281 1 290 63.546 3.90193e-05 -3.27433 63.546000 Cu 0.607887 0.808237 0.5 291 63.546 0.000115355 -3.27482 63.546000 Cu 0.521526 0.81676 0.5 292 63.546 8.27284e-05 -3.2734 63.546000 Cu 0.642421 0.829818 0.5 296 63.546 0.000220716 -3.27526 63.546000 Cu 0.555993 0.838298 0.5 322 63.546 0.000160726 -3.27351 63.546000 Cu 0.754393 0.806097 3.55489e-19 262 63.546 6.84104e-05 -3.27478 63.546000 Cu 0.814663 0.812523 0.5 268 63.546 3.09917e-05 -3.274 63.546000 Cu 0.668284 0.814749 5.92482e-19 293 63.546 0.000273421 -3.27521 63.546000 Cu 0.702843 0.836349 3.55489e-19 294 63.546 0.000525604 -3.2761 63.546000 Cu 0.728634 0.821237 0.5 295 63.546 0.000319416 -3.27538 63.546000 Cu 0.78892 0.827684 9.51526e-17 297 63.546 0.000145356 -3.275 63.546000 Cu 0.87492 0.818932 1 266 63.546 0.000203621 -3.27313 63.546000 Cu 0.900769 0.803818 0.5 267 63.546 0.00019844 -3.27294 63.546000 Cu 0.961119 0.810272 1 269 63.546 0.000213916 -3.27288 63.546000 Cu 0.995561 0.831798 1 270 63.546 0.000451876 -3.27255 63.546000 Cu 0.93521 0.825349 0.5 272 63.546 0.00044426 -3.27242 63.546000 Cu 0.849155 0.834091 0.5 299 63.546 6.51684e-05 -3.27408 63.546000 Cu 0.0300029 0.853313 1.89594e-18 305 63.546 0.00087363 -3.27172 63.546000 Cu 0.00403234 0.868355 0.5 306 63.546 0.00244687 -3.26932 63.546000 Cu 0.116482 0.844845 4.73986e-19 341 63.546 8.94533e-05 -3.2747 63.546000 Cu 0.0644437 0.874797 5.90112e-17 373 63.546 0.00174467 -3.27062 63.546000 Cu 0.0904641 0.859828 0.5 374 63.546 0.000294637 -3.27325 63.546000 Cu 0.151047 0.866407 9.19532e-17 375 63.546 0.000173129 -3.27481 63.546000 Cu 0.237463 0.857968 1.29161e-17 344 63.546 0.00110339 -3.27664 63.546000 Cu 0.263207 0.842847 0.5 345 63.546 0.000650677 -3.27624 63.546000 Cu 0.176983 0.851413 0.5 346 63.546 0.000486324 -3.27588 63.546000 Cu 0.323476 0.849285 2.45288e-17 347 63.546 0.000316339 -3.27546 63.546000 Cu 0.297845 0.864475 0.5 350 63.546 0.00130255 -3.27678 63.546000 Cu 0.211637 0.873015 0.5 377 63.546 0.000925338 -3.27609 63.546000 Cu 0.272166 0.879614 1.08898e-16 379 63.546 0.00231921 -3.27766 63.546000 Cu 0.409377 0.840475 2.45288e-17 317 63.546 0.000404767 -3.27263 63.546000 Cu 0.469633 0.846866 0.5 323 63.546 0.00103527 -3.27161 63.546000 Cu 0.358073 0.870904 3.09276e-17 348 63.546 0.000727057 -3.27535 63.546000 Cu 0.383667 0.855664 0.5 349 63.546 0.000137623 -3.27365 63.546000 Cu 0.443816 0.862009 4.73986e-19 351 63.546 0.000882963 -3.2711 63.546000 Cu 0.418164 0.877235 0.5 354 63.546 0.000348684 -3.2729 63.546000 Cu 0.530003 0.853313 1.05225e-16 321 63.546 0.000874127 -3.27172 63.546000 Cu 0.616482 0.844845 1.18496e-19 324 63.546 8.95493e-05 -3.27469 63.546000 Cu 0.651047 0.866407 2.45288e-17 325 63.546 0.000173231 -3.27481 63.546000 Cu 0.590464 0.859828 0.5 327 63.546 0.000294497 -3.27325 63.546000 Cu 0.504032 0.868355 0.5 353 63.546 0.0024473 -3.26932 63.546000 Cu 0.564444 0.874797 1 355 63.546 0.00174481 -3.27062 63.546000 Cu 0.823476 0.849285 1 298 63.546 0.000315743 -3.27547 63.546000 Cu 0.763207 0.842846 0.5 300 63.546 0.000649451 -3.27625 63.546000 Cu 0.676983 0.851413 0.5 326 63.546 0.000486965 -3.27587 63.546000 Cu 0.737463 0.857968 1.7182e-17 328 63.546 0.00110353 -3.27664 63.546000 Cu 0.772166 0.879614 1 329 63.546 0.00231948 -3.27766 63.546000 Cu 0.797845 0.864475 0.5 330 63.546 0.00130211 -3.27678 63.546000 Cu 0.711637 0.873015 0.5 331 63.546 0.000925732 -3.27609 63.546000 Cu 0.909377 0.840475 4.34882e-17 301 63.546 0.000404625 -3.27264 63.546000 Cu 0.943815 0.862009 3.64969e-17 302 63.546 0.000882972 -3.2711 63.546000 Cu 0.969633 0.846866 0.5 303 63.546 0.00103404 -3.27161 63.546000 Cu 0.883667 0.855664 0.5 304 63.546 0.000137887 -3.27366 63.546000 Cu 0.858073 0.870904 3.55489e-19 332 63.546 0.000726783 -3.27535 63.546000 Cu 0.918164 0.877235 0.5 334 63.546 0.000348791 -3.2729 63.546000 Cu 0.0125463 0.904957 2.25143e-18 337 63.546 0.00556499 -3.26541 63.546000 Cu 0.038399 0.889788 0.5 338 63.546 0.00640396 -3.26631 63.546000 Cu 0.125019 0.881344 0.5 378 63.546 0.000431247 -3.27394 63.546000 Cu 0.098854 0.896242 9.7641e-17 407 63.546 0.00362608 -3.26906 63.546000 Cu 0.132998 0.917647 0 408 63.546 0.00729902 -3.26647 63.546000 Cu 0.159457 0.902871 0.5 409 63.546 0.000630893 -3.27456 63.546000 Cu 0.072503 0.911143 0.5 410 63.546 0.017564 -3.25906 63.546000 Cu 0.185645 0.887977 1.14112e-16 376 63.546 0.000403796 -3.27588 63.546000 Cu 0.30686 0.901313 1.70635e-17 380 63.546 0.00534372 -3.28099 63.546000 Cu 0.33252 0.886142 0.5 381 63.546 0.00285611 -3.27825 63.546000 Cu 0.246295 0.894649 0.5 382 63.546 0.00183435 -3.27766 63.546000 Cu 0.220104 0.909562 1 411 63.546 0.000792343 -3.27649 63.546000 Cu 0.280911 0.916313 0.5 413 63.546 0.00376549 -3.27882 63.546000 Cu 0.47823 0.883508 1 352 63.546 0.00227404 -3.26949 63.546000 Cu 0.392675 0.892545 1 383 63.546 0.00155169 -3.27737 63.546000 Cu 0.427266 0.914211 3.55489e-19 384 63.546 0.00375822 -3.27772 63.546000 Cu 0.452657 0.8988 0.5 385 63.546 0.000812691 -3.27245 63.546000 Cu 0.367211 0.90786 0.5 386 63.546 0.00652284 -3.28281 63.546000 Cu 0.598854 0.896242 1.18496e-19 356 63.546 0.00362611 -3.26906 63.546000 Cu 0.625019 0.881344 0.5 357 63.546 0.000431199 -3.27395 63.546000 Cu 0.538399 0.889788 0.5 358 63.546 0.00640403 -3.26631 63.546000 Cu 0.659457 0.902871 0.5 362 63.546 0.000630894 -3.27456 63.546000 Cu 0.512546 0.904957 1 387 63.546 0.00556495 -3.26541 63.546000 Cu 0.572503 0.911143 0.5 389 63.546 0.0175641 -3.25906 63.546000 Cu 0.632998 0.917647 2.36993e-19 391 63.546 0.00729905 -3.26647 63.546000 Cu 0.83252 0.886142 0.5 335 63.546 0.00285608 -3.27825 63.546000 Cu 0.685645 0.887977 6.6358e-18 359 63.546 0.000403866 -3.27588 63.546000 Cu 0.720104 0.909562 2.36993e-19 360 63.546 0.000792364 -3.27649 63.546000 Cu 0.746295 0.894649 0.5 361 63.546 0.00183457 -3.27766 63.546000 Cu 0.80686 0.901313 1 363 63.546 0.00534395 -3.28099 63.546000 Cu 0.780911 0.916313 0.5 366 63.546 0.00376555 -3.27882 63.546000 Cu 0.892675 0.892545 1 333 63.546 0.00155161 -3.27737 63.546000 Cu 0.97823 0.883508 1.23236e-17 336 63.546 0.00227414 -3.26949 63.546000 Cu 0.952657 0.8988 0.5 339 63.546 0.000812736 -3.27245 63.546000 Cu 0.867211 0.90786 0.5 365 63.546 0.00652293 -3.28281 63.546000 Cu 0.927266 0.914211 1.18496e-19 367 63.546 0.00375822 -3.27772 63.546000 Cu 0.0464741 0.926362 0 371 63.546 0.0122057 -3.25651 63.546000 Cu 0.0206298 0.941791 0.5 372 63.546 0.0115006 -3.24587 63.546000 Cu 0.079792 0.947746 1 437 63.546 0.0344585 -3.25463 63.546000 Cu 0.106039 0.93238 0.5 438 63.546 0.0532921 -3.24648 63.546000 Cu 0.139359 0.953313 0.5 442 63.546 0.215639 -3.20842 63.546000 Cu 0.254486 0.931106 1 412 63.546 0.0018072 -3.27465 63.546000 Cu 0.193695 0.924402 0.5 414 63.546 0.00215983 -3.27985 63.546000 Cu 0.315769 0.937974 0.5 418 63.546 0.00761119 -3.26964 63.546000 Cu 0.167026 0.938997 3.55489e-19 439 63.546 0.0182077 -3.26856 63.546000 Cu 0.228426 0.945951 0.5 441 63.546 0.0269573 -3.27927 63.546000 Cu 0.289043 0.952536 3.55489e-19 443 63.546 0.0480502 -3.22642 63.546000 Cu 0.48695 0.920314 0.5 390 63.546 0.00242394 -3.26561 63.546000 Cu 0.341615 0.923078 1 415 63.546 0.0146312 -3.28539 63.546000 Cu 0.376622 0.944983 3.55489e-19 416 63.546 0.0567274 -3.27893 63.546000 Cu 0.401957 0.92963 0.5 417 63.546 0.0157371 -3.28303 63.546000 Cu 0.461653 0.935906 3.37715e-17 419 63.546 0.0083309 -3.26647 63.546000 Cu 0.495218 0.957797 3.91038e-18 420 63.546 0.031701 -3.23454 63.546000 Cu 0.436284 0.951514 0.5 422 63.546 0.0378 -3.25889 63.546000 Cu 0.350498 0.959753 0.5 445 63.546 0.0568887 -3.22328 63.546000 Cu 0.546474 0.926362 1.18496e-19 388 63.546 0.0122057 -3.25651 63.546000 Cu 0.606039 0.93238 0.5 394 63.546 0.0532922 -3.24648 63.546000 Cu 0.52063 0.941791 0.5 421 63.546 0.0115006 -3.24587 63.546000 Cu 0.579792 0.947746 1 423 63.546 0.0344585 -3.25463 63.546000 Cu 0.639359 0.953313 0.5 425 63.546 0.215639 -3.20842 63.546000 Cu 0.667026 0.938997 0 392 63.546 0.0182077 -3.26856 63.546000 Cu 0.693695 0.924402 0.5 393 63.546 0.0021598 -3.27985 63.546000 Cu 0.754486 0.931106 1.18496e-19 395 63.546 0.00180719 -3.27465 63.546000 Cu 0.789043 0.952536 1 396 63.546 0.0480503 -3.22642 63.546000 Cu 0.815769 0.937974 0.5 397 63.546 0.00761117 -3.26964 63.546000 Cu 0.728426 0.945951 0.5 398 63.546 0.0269573 -3.27927 63.546000 Cu 0.841615 0.923078 1.42907e-16 364 63.546 0.0146313 -3.28539 63.546000 Cu 0.961653 0.935906 1.18496e-19 368 63.546 0.0083309 -3.26647 63.546000 Cu 0.98695 0.920314 0.5 369 63.546 0.00242391 -3.26561 63.546000 Cu 0.901957 0.92963 0.5 370 63.546 0.0157371 -3.28303 63.546000 Cu 0.876622 0.944983 3.48379e-17 399 63.546 0.0567274 -3.27893 63.546000 Cu 0.936284 0.951514 0.5 401 63.546 0.0378 -3.25889 63.546000 Cu 0.850498 0.959753 0.5 402 63.546 0.0568886 -3.22328 63.546000 Cu 0.995218 0.957797 1 403 63.546 0.031701 -3.23454 63.546000 Cu 0.0302156 0.980022 1.32479e-16 404 63.546 2.34512 -3.26541 63.546000 Cu 0.0535529 0.963124 0.5 405 63.546 0.140422 -3.21433 63.546000 Cu 0.00319693 0.993523 0.5 436 63.546 11.9751 -2.80384 63.546000 Cu 0.115333 0.968998 1.09135e-16 457 63.546 0.552685 -3.20019 63.546000 Cu 0.135761 0.994275 2.45288e-17 458 63.546 7.58183 -3.42871 63.546000 Cu 0.0914575 0.983166 0.5 460 63.546 7.54817 -2.87392 63.546000 Cu 0.202646 0.960133 4.58581e-17 440 63.546 0.113862 -3.19607 63.546000 Cu 0.320142 0.973768 2.36993e-19 444 63.546 1.32611 -3.01457 63.546000 Cu 0.263024 0.968114 0.5 446 63.546 0.586887 -3.23636 63.546000 Cu 0.173762 0.973595 0.5 459 63.546 2.20583 -2.92137 63.546000 Cu 0.234858 0.982174 2.45288e-17 461 63.546 2.19506 -3.21121 63.546000 Cu 0.286582 0.994015 0.5 462 63.546 8.53532 -3.5417 63.546000 Cu 0.194833 0.993497 0.5 463 63.546 9.91309 -2.5748 63.546000 Cu 0.439232 0.99381 1.14586e-16 482 63.546 9.70382 -3.574 63.546000 Cu 0.410515 0.967507 1 447 63.546 0.514331 -3.23597 63.546000 Cu 0.468783 0.973492 0.5 449 63.546 0.664062 -3.13916 63.546000 Cu 0.38428 0.981916 0.5 450 63.546 2.32176 -3.15287 63.546000 Cu 0.346718 0.993556 8.05775e-17 464 63.546 10.7627 -2.51633 63.546000 Cu 0.615333 0.968998 1 424 63.546 0.552685 -3.20019 63.546000 Cu 0.553553 0.963124 0.5 426 63.546 0.140422 -3.21433 63.546000 Cu 0.530216 0.980022 1.18496e-19 451 63.546 2.34512 -3.26541 63.546000 Cu 0.591457 0.983166 0.5 453 63.546 7.54817 -2.87392 63.546000 Cu 0.503197 0.993523 0.5 454 63.546 11.9751 -2.80384 63.546000 Cu 0.635761 0.994275 1 455 63.546 7.58183 -3.42871 63.546000 Cu 0.702646 0.960133 2.45288e-17 427 63.546 0.113862 -3.19607 63.546000 Cu 0.734858 0.982174 1 428 63.546 2.19506 -3.21121 63.546000 Cu 0.763024 0.968114 0.5 429 63.546 0.586887 -3.23636 63.546000 Cu 0.673762 0.973595 0.5 430 63.546 2.20583 -2.92137 63.546000 Cu 0.820142 0.973768 1.93149e-17 431 63.546 1.32611 -3.01457 63.546000 Cu 0.786582 0.994015 0.5 434 63.546 8.53532 -3.5417 63.546000 Cu 0.694833 0.993497 0.5 456 63.546 9.91309 -2.5748 63.546000 Cu 0.939232 0.99381 3.96963e-17 466 63.546 9.70382 -3.574 63.546000 Cu 0.910515 0.967507 1 400 63.546 0.514331 -3.23597 63.546000 Cu 0.968783 0.973492 0.5 406 63.546 0.664062 -3.13916 63.546000 Cu 0.846718 0.993556 1.18496e-19 432 63.546 10.7627 -2.51633 63.546000 Cu 0.88428 0.981916 0.5 433 63.546 2.32176 -3.15287