Number of particles = 1036 A = 1 Angstrom (basic length-scale) H0(1,1) = 29.3875 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 117.824 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.66003 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 0.00302687 0.0282134 5.13067e-17 550 63.546 0.0654626 -3.27673 63.546000 Cu 0.0265607 0.0063271 7.34645e-17 553 63.546 0.607862 -3.2897 63.546000 Cu 0.108613 0.0133014 5.13067e-17 554 63.546 0.481226 -3.12394 63.546000 Cu 0.0564785 0.0198314 0.5 556 63.546 0.26955 -3.27333 63.546000 Cu 0.164742 0.00545236 0.5 557 63.546 0.510583 -3.2173 63.546000 Cu 0.0865438 0.0341945 2.06175e-17 577 63.546 0.0205228 -3.25055 63.546000 Cu 0.140524 0.0266362 0.5 579 63.546 0.0117202 -3.25579 63.546000 Cu 0.193833 0.0187579 3.55473e-19 581 63.546 0.226111 -3.26676 63.546000 Cu 0.27847 0.0256332 4.64485e-17 582 63.546 0.0986051 -3.22152 63.546000 Cu 0.24612 0.0128773 0.5 583 63.546 0.957469 -3.0768 63.546000 Cu 0.223975 0.0332169 0.5 584 63.546 0.0944054 -3.22308 63.546000 Cu 0.302523 0.00513339 2.85564e-17 585 63.546 1.1158 -3.07114 63.546000 Cu 0.309794 0.0383696 0.5 616 63.546 0.0256425 -3.28769 63.546000 Cu 0.334138 0.0170187 0.5 587 63.546 0.209711 -3.27826 63.546000 Cu 0.386743 0.00824714 5.13067e-17 586 63.546 1.18935 -3.2626 63.546000 Cu 0.43876 0.0035562 0.5 588 63.546 3.75579 -2.84605 63.546000 Cu 0.363636 0.0303813 5.92456e-19 618 63.546 0.085865 -3.29349 63.546000 Cu 0.448232 0.0365738 3.55473e-19 619 63.546 0.0323152 -3.2425 63.546000 Cu 0.416645 0.0235587 0.5 620 63.546 0.254258 -3.18084 63.546000 Cu 0.471599 0.0157648 1.59134e-16 622 63.546 0.274661 -3.16202 63.546000 Cu 0.503027 0.0282134 0.5 625 63.546 0.0654626 -3.27673 63.546000 Cu 0.664742 0.00545236 5.13067e-17 523 63.546 0.510583 -3.2173 63.546000 Cu 0.608613 0.0133014 0.5 524 63.546 0.481226 -3.12394 63.546000 Cu 0.586544 0.0341945 0.5 526 63.546 0.0205228 -3.25055 63.546000 Cu 0.640524 0.0266362 5.13067e-17 527 63.546 0.0117202 -3.25579 63.546000 Cu 0.556478 0.0198314 1.22164e-16 623 63.546 0.26955 -3.27333 63.546000 Cu 0.526561 0.0063271 0.5 624 63.546 0.607862 -3.2897 63.546000 Cu 0.723975 0.0332169 2.36982e-19 528 63.546 0.0944054 -3.22308 63.546000 Cu 0.693833 0.0187579 0.5 529 63.546 0.226111 -3.26676 63.546000 Cu 0.74612 0.0128773 1.4373e-16 531 63.546 0.957469 -3.0768 63.546000 Cu 0.802523 0.00513339 0.5 533 63.546 1.1158 -3.07114 63.546000 Cu 0.77847 0.0256332 0.5 534 63.546 0.0986051 -3.22152 63.546000 Cu 0.809794 0.0383696 1.18491e-19 545 63.546 0.0256425 -3.28769 63.546000 Cu 0.834138 0.0170187 1.45744e-17 532 63.546 0.209711 -3.27826 63.546000 Cu 0.93876 0.0035562 0 535 63.546 3.75579 -2.84605 63.546000 Cu 0.886743 0.00824714 0.5 536 63.546 1.18935 -3.2626 63.546000 Cu 0.863636 0.0303813 0.5 547 63.546 0.085865 -3.29349 63.546000 Cu 0.916645 0.0235587 5.13067e-17 549 63.546 0.254258 -3.18084 63.546000 Cu 0.971599 0.0157648 0.5 551 63.546 0.274661 -3.16202 63.546000 Cu 0.948232 0.0365738 0.5 552 63.546 0.0323152 -3.2425 63.546000 Cu 0.0632619 0.0553577 0 574 63.546 0.00194053 -3.27533 63.546000 Cu 0.0331799 0.0415895 0.5 575 63.546 0.0372876 -3.28923 63.546000 Cu 0.00939745 0.0629681 0.5 576 63.546 0.00804611 -3.28273 63.546000 Cu 0.117199 0.0478044 0.5 580 63.546 0.000712866 -3.27177 63.546000 Cu 0.0935387 0.0689786 0.5 608 63.546 0.0001044 -3.27431 63.546000 Cu 0.147392 0.0614231 3.99315e-17 610 63.546 0.00104114 -3.27398 63.546000 Cu 0.0395926 0.0765674 0 606 63.546 0.00102949 -3.27675 63.546000 Cu 0.170792 0.0402209 5.9601e-17 578 63.546 0.012604 -3.27551 63.546000 Cu 0.23179 0.0674033 3.55473e-18 611 63.546 0.00408296 -3.26691 63.546000 Cu 0.201101 0.0540316 0.5 612 63.546 0.0155887 -3.25878 63.546000 Cu 0.177696 0.075037 0.5 613 63.546 0.00359427 -3.26784 63.546000 Cu 0.255265 0.0464305 9.10012e-17 614 63.546 0.0185678 -3.25615 63.546000 Cu 0.286041 0.0595624 0.5 617 63.546 0.00312909 -3.27924 63.546000 Cu 0.316435 0.0729553 5.13067e-17 653 63.546 0.000838737 -3.27848 63.546000 Cu 0.340089 0.0517407 1 615 63.546 0.00905006 -3.2856 63.546000 Cu 0.393823 0.0442933 0.5 621 63.546 0.0238313 -3.25461 63.546000 Cu 0.370427 0.0653035 0.5 655 63.546 0.00280968 -3.26898 63.546000 Cu 0.42469 0.0575618 5.13067e-17 657 63.546 0.00464151 -3.2639 63.546000 Cu 0.479125 0.0495624 0.5 659 63.546 0.0109461 -3.2802 63.546000 Cu 0.455269 0.0708015 0.5 660 63.546 0.0025063 -3.27683 63.546000 Cu 0.617199 0.0478044 1.18491e-19 525 63.546 0.000712867 -3.27177 63.546000 Cu 0.593539 0.0689786 3.31775e-18 537 63.546 0.000104406 -3.27431 63.546000 Cu 0.647392 0.0614231 0.5 539 63.546 0.00104116 -3.27398 63.546000 Cu 0.509397 0.0629681 6.14969e-17 658 63.546 0.00804607 -3.28273 63.546000 Cu 0.53318 0.0415895 4.21828e-17 661 63.546 0.0372876 -3.28923 63.546000 Cu 0.563262 0.0553577 0.5 662 63.546 0.00194053 -3.27533 63.546000 Cu 0.539593 0.0765674 0.5 698 63.546 0.00102945 -3.27675 63.546000 Cu 0.670792 0.0402209 0.5 530 63.546 0.012604 -3.27551 63.546000 Cu 0.677696 0.075037 2.36982e-19 538 63.546 0.00359426 -3.26784 63.546000 Cu 0.701101 0.0540316 1.24416e-16 541 63.546 0.0155888 -3.25878 63.546000 Cu 0.786041 0.0595623 1.06998e-16 542 63.546 0.00312908 -3.27924 63.546000 Cu 0.755265 0.0464305 0.5 543 63.546 0.0185678 -3.25615 63.546000 Cu 0.73179 0.0674033 0.5 544 63.546 0.00408293 -3.26691 63.546000 Cu 0.816435 0.0729553 0.5 567 63.546 0.000838753 -3.27848 63.546000 Cu 0.893823 0.0442933 3.63768e-17 546 63.546 0.0238313 -3.25461 63.546000 Cu 0.840089 0.0517407 0.5 548 63.546 0.00905005 -3.2856 63.546000 Cu 0.870427 0.0653035 5.80607e-18 569 63.546 0.00280968 -3.26898 63.546000 Cu 0.955269 0.0708015 4.73965e-17 570 63.546 0.00250635 -3.27683 63.546000 Cu 0.92469 0.0575618 0.5 571 63.546 0.00464152 -3.2639 63.546000 Cu 0.979125 0.0495624 0 573 63.546 0.0109461 -3.2802 63.546000 Cu 0.0159893 0.097781 5.13067e-17 603 63.546 0.000610742 -3.2756 63.546000 Cu 0.123804 0.0825691 8.53136e-18 607 63.546 0.000334703 -3.27254 63.546000 Cu 0.0699091 0.0901507 0.5 609 63.546 0.000154655 -3.27399 63.546000 Cu 0.0464272 0.111333 0.5 643 63.546 0.000174339 -3.27413 63.546000 Cu 0.100289 0.103713 5.13067e-17 645 63.546 0.000241616 -3.27269 63.546000 Cu 0.154212 0.0961167 0.5 647 63.546 0.00102863 -3.27081 63.546000 Cu 0.184772 0.109583 2.64235e-17 646 63.546 0.000566137 -3.27236 63.546000 Cu 0.208235 0.0884725 6.74215e-17 649 63.546 0.00127654 -3.2708 63.546000 Cu 0.292833 0.09413 5.13067e-17 650 63.546 7.60964e-05 -3.27546 63.546000 Cu 0.262349 0.0807191 0.5 651 63.546 0.000296097 -3.27595 63.546000 Cu 0.238797 0.101872 0.5 652 63.546 0.000141777 -3.27409 63.546000 Cu 0.323385 0.107563 0.5 690 63.546 0.000112167 -3.27343 63.546000 Cu 0.269398 0.115296 1.18491e-19 688 63.546 0.000103807 -3.27454 63.546000 Cu 0.401033 0.0786606 3.55473e-17 654 63.546 0.00058973 -3.27044 63.546000 Cu 0.346883 0.0864135 0.5 656 63.546 0.000313966 -3.27245 63.546000 Cu 0.377451 0.099814 1.00717e-17 692 63.546 0.000105807 -3.27307 63.546000 Cu 0.462039 0.105479 1.18491e-19 693 63.546 0.000765734 -3.27641 63.546000 Cu 0.431573 0.0920244 0.5 694 63.546 0.000637483 -3.2758 63.546000 Cu 0.408049 0.113232 0.5 695 63.546 0.000269224 -3.27537 63.546000 Cu 0.485629 0.0842432 1.13751e-16 696 63.546 0.00218113 -3.27883 63.546000 Cu 0.623804 0.0825691 0.5 540 63.546 0.000334717 -3.27254 63.546000 Cu 0.600289 0.103713 0.5 559 63.546 0.000241587 -3.27268 63.546000 Cu 0.654212 0.0961167 1.18728e-16 561 63.546 0.00102844 -3.27081 63.546000 Cu 0.569909 0.0901507 6.67105e-17 697 63.546 0.000154657 -3.27399 63.546000 Cu 0.515989 0.097781 0.5 699 63.546 0.000610691 -3.27559 63.546000 Cu 0.546427 0.111333 3.2822e-17 736 63.546 0.000174378 -3.27413 63.546000 Cu 0.738797 0.101872 2.36982e-19 562 63.546 0.000141811 -3.27409 63.546000 Cu 0.708235 0.0884725 0.5 563 63.546 0.00127643 -3.2708 63.546000 Cu 0.684772 0.109583 0.5 564 63.546 0.000565915 -3.27236 63.546000 Cu 0.762349 0.0807191 1.18491e-19 565 63.546 0.000296152 -3.27595 63.546000 Cu 0.792833 0.09413 0.5 568 63.546 7.6117e-05 -3.27546 63.546000 Cu 0.823385 0.107563 2.36982e-19 598 63.546 0.000112202 -3.27344 63.546000 Cu 0.769398 0.115296 0.5 596 63.546 0.000103848 -3.27454 63.546000 Cu 0.846883 0.0864135 3.55473e-19 566 63.546 0.000313949 -3.27245 63.546000 Cu 0.901033 0.0786606 0.5 572 63.546 0.000589751 -3.27044 63.546000 Cu 0.908049 0.113233 5.13067e-17 599 63.546 0.000269058 -3.27537 63.546000 Cu 0.877451 0.099814 0.5 600 63.546 0.000105829 -3.27308 63.546000 Cu 0.931573 0.0920244 3.55473e-19 602 63.546 0.000637517 -3.2758 63.546000 Cu 0.985629 0.0842432 0.5 604 63.546 0.00218124 -3.27883 63.546000 Cu 0.962039 0.105479 0.5 605 63.546 0.00076575 -3.27641 63.546000 Cu 0.0770037 0.124876 9.06457e-17 642 63.546 0.000119884 -3.27368 63.546000 Cu 0.0231927 0.132526 0.5 644 63.546 7.52523e-05 -3.27489 63.546000 Cu 0.130843 0.11724 0.5 648 63.546 0.000434993 -3.27246 63.546000 Cu 0.0539029 0.146053 7.41755e-17 680 63.546 2.61022e-05 -3.27414 63.546000 Cu 0.138488 0.151881 1.24653e-16 681 63.546 8.24832e-05 -3.27356 63.546000 Cu 0.107713 0.138393 0.5 682 63.546 0.000123368 -3.27351 63.546000 Cu 0.161559 0.130722 1.65888e-18 684 63.546 0.000215471 -3.27339 63.546000 Cu 9.22585e-05 0.153723 0.5 678 63.546 2.43555e-05 -3.27462 63.546000 Cu 0.246225 0.136469 2.97413e-17 685 63.546 3.20434e-05 -3.27456 63.546000 Cu 0.215456 0.123024 0.5 686 63.546 0.000162171 -3.27417 63.546000 Cu 0.192345 0.144186 0.5 687 63.546 7.20128e-05 -3.27406 63.546000 Cu 0.300122 0.128736 0.5 691 63.546 3.81409e-05 -3.27445 63.546000 Cu 0.277017 0.149918 0.5 726 63.546 6.62562e-06 -3.27436 63.546000 Cu 0.330904 0.142181 1.0131e-16 728 63.546 1.84724e-05 -3.27453 63.546000 Cu 0.354062 0.12099 5.13067e-17 689 63.546 7.91638e-05 -3.27437 63.546000 Cu 0.41554 0.147914 5.13067e-17 729 63.546 0.000108025 -3.27533 63.546000 Cu 0.384796 0.134438 0.5 730 63.546 0.000103502 -3.27527 63.546000 Cu 0.438691 0.1267 1.87216e-17 732 63.546 0.000303793 -3.27599 63.546000 Cu 0.492564 0.118993 0.5 734 63.546 0.000359359 -3.27559 63.546000 Cu 0.46938 0.140206 0.5 735 63.546 0.000128469 -3.27552 63.546000 Cu 0.630843 0.11724 5.13067e-17 558 63.546 0.000434681 -3.27246 63.546000 Cu 0.577004 0.124876 0.5 560 63.546 0.000119865 -3.27368 63.546000 Cu 0.607713 0.138393 3.59028e-17 590 63.546 0.000123053 -3.27351 63.546000 Cu 0.661559 0.130722 0.5 592 63.546 0.000215144 -3.27339 63.546000 Cu 0.638488 0.151882 0.5 593 63.546 8.20807e-05 -3.27355 63.546000 Cu 0.523193 0.132526 7.00283e-17 733 63.546 7.524e-05 -3.27489 63.546000 Cu 0.553903 0.146053 0.5 772 63.546 2.61994e-05 -3.27414 63.546000 Cu 0.500092 0.153723 5.13067e-17 771 63.546 2.41487e-05 -3.27462 63.546000 Cu 0.692345 0.144187 0 591 63.546 7.20622e-05 -3.27406 63.546000 Cu 0.715456 0.123024 1.58778e-17 594 63.546 0.000162185 -3.27418 63.546000 Cu 0.800122 0.128736 0 595 63.546 3.81671e-05 -3.27446 63.546000 Cu 0.746225 0.136469 0.5 597 63.546 3.21955e-05 -3.27457 63.546000 Cu 0.777017 0.149919 0 633 63.546 6.71748e-06 -3.27437 63.546000 Cu 0.830904 0.142181 0.5 635 63.546 1.8137e-05 -3.27455 63.546000 Cu 0.854062 0.12099 0.5 601 63.546 7.90411e-05 -3.27438 63.546000 Cu 0.884796 0.134439 6.87249e-17 637 63.546 0.00010314 -3.27528 63.546000 Cu 0.96938 0.140206 5.61648e-17 638 63.546 0.000128829 -3.27552 63.546000 Cu 0.938691 0.1267 0.5 639 63.546 0.000303715 -3.276 63.546000 Cu 0.91554 0.147914 0.5 640 63.546 0.000108214 -3.27533 63.546000 Cu 0.992564 0.118993 5.24916e-17 641 63.546 0.000359393 -3.27559 63.546000 Cu 0.030824 0.167232 7.01468e-17 677 63.546 9.42509e-06 -3.27389 63.546000 Cu 0.0846504 0.159559 0.5 683 63.546 4.21377e-05 -3.27361 63.546000 Cu 0.00773847 0.188407 7.89151e-17 716 63.546 2.80741e-06 -3.27391 63.546000 Cu 0.061571 0.180728 0.5 718 63.546 1.40515e-05 -3.27364 63.546000 Cu 0.115412 0.173046 1.33776e-16 720 63.546 3.55794e-05 -3.27355 63.546000 Cu 0.146179 0.186519 0.5 723 63.546 2.10293e-05 -3.2738 63.546000 Cu 0.200043 0.178816 2.59496e-17 721 63.546 1.81574e-05 -3.27398 63.546000 Cu 0.169268 0.165352 0.5 722 63.546 3.72837e-05 -3.27369 63.546000 Cu 0.223137 0.157644 8.64985e-17 724 63.546 2.4484e-05 -3.27405 63.546000 Cu 0.307799 0.163372 5.13067e-17 725 63.546 8.03839e-06 -3.27438 63.546000 Cu 0.25392 0.171099 0.5 727 63.546 5.26868e-06 -3.27416 63.546000 Cu 0.284692 0.184558 6.71845e-17 763 63.546 3.2369e-06 -3.2743 63.546000 Cu 0.230817 0.192277 0.5 761 63.546 4.52887e-06 -3.27417 63.546000 Cu 0.361677 0.15564 0.5 731 63.546 4.69309e-05 -3.27476 63.546000 Cu 0.369316 0.190308 0 764 63.546 2.41663e-05 -3.27449 63.546000 Cu 0.338566 0.176834 0.5 765 63.546 2.33623e-05 -3.27438 63.546000 Cu 0.392425 0.169117 7.00283e-17 767 63.546 4.72588e-05 -3.27455 63.546000 Cu 0.476998 0.174911 2.36982e-19 768 63.546 1.23924e-05 -3.27415 63.546000 Cu 0.44627 0.161411 0.5 769 63.546 5.01743e-05 -3.27474 63.546000 Cu 0.423163 0.182603 0.5 770 63.546 2.48634e-05 -3.27436 63.546000 Cu 0.58465 0.159559 5.13067e-17 589 63.546 4.1889e-05 -3.27359 63.546000 Cu 0.646179 0.186519 0 626 63.546 2.0698e-05 -3.2738 63.546000 Cu 0.615412 0.173046 0.5 627 63.546 3.48387e-05 -3.27352 63.546000 Cu 0.530824 0.167233 0.5 773 63.546 9.55252e-06 -3.27387 63.546000 Cu 0.507737 0.188408 0.5 808 63.546 2.82411e-06 -3.2739 63.546000 Cu 0.561571 0.180728 4.88184e-17 810 63.546 1.36985e-05 -3.27361 63.546000 Cu 0.669268 0.165352 3.96945e-17 629 63.546 3.72512e-05 -3.27368 63.546000 Cu 0.75392 0.171099 5.13067e-17 630 63.546 5.49687e-06 -3.27419 63.546000 Cu 0.723137 0.157644 0.5 631 63.546 2.48836e-05 -3.27405 63.546000 Cu 0.700043 0.178816 0.5 632 63.546 1.87019e-05 -3.274 63.546000 Cu 0.807799 0.163372 0.5 636 63.546 7.64067e-06 -3.2744 63.546000 Cu 0.784692 0.184558 0.5 670 63.546 2.68432e-06 -3.27436 63.546000 Cu 0.730817 0.192277 1.06879e-16 668 63.546 5.10001e-06 -3.27423 63.546000 Cu 0.861677 0.15564 8.85129e-17 634 63.546 4.65283e-05 -3.27477 63.546000 Cu 0.838566 0.176834 6.16154e-17 672 63.546 2.27932e-05 -3.27442 63.546000 Cu 0.923165 0.182602 4.44342e-17 673 63.546 2.64188e-05 -3.27438 63.546000 Cu 0.892425 0.169116 0.5 674 63.546 4.78981e-05 -3.27457 63.546000 Cu 0.869317 0.190306 0.5 675 63.546 2.49163e-05 -3.27452 63.546000 Cu 0.94627 0.16141 5.13067e-17 676 63.546 5.11402e-05 -3.27474 63.546000 Cu 0.976999 0.174911 0.5 679 63.546 1.29964e-05 -3.27417 63.546000 Cu 0.0923278 0.194211 2.12099e-16 717 63.546 1.50348e-05 -3.27376 63.546000 Cu 0.0384883 0.201896 0.5 719 63.546 4.35912e-06 -3.2738 63.546000 Cu 0.0154086 0.223061 0.5 753 63.546 8.55348e-07 -3.27379 63.546000 Cu 0.0692455 0.215377 6.01935e-17 755 63.546 6.01161e-06 -3.27384 63.546000 Cu 0.153856 0.221159 7.63083e-17 756 63.546 9.45793e-06 -3.27414 63.546000 Cu 0.123091 0.207687 0.5 757 63.546 1.31678e-05 -3.27394 63.546000 Cu 0.100007 0.228855 0.5 758 63.546 8.75376e-06 -3.27399 63.546000 Cu 0.176948 0.199988 5.48614e-17 759 63.546 1.22138e-05 -3.27405 63.546000 Cu 0.261586 0.20574 3.70877e-17 760 63.546 1.2941e-06 -3.27441 63.546000 Cu 0.207717 0.213453 0.5 762 63.546 4.41862e-06 -3.27427 63.546000 Cu 0.315455 0.198022 0.5 766 63.546 1.00698e-05 -3.27451 63.546000 Cu 0.238483 0.226919 1.37094e-16 798 63.546 6.99195e-07 -3.27441 63.546000 Cu 0.292349 0.219207 0.5 800 63.546 2.79117e-06 -3.27449 63.546000 Cu 0.34621 0.211495 7.01468e-17 802 63.546 1.01964e-05 -3.27454 63.546000 Cu 0.430809 0.217274 7.14502e-17 803 63.546 5.47749e-06 -3.27418 63.546000 Cu 0.400063 0.20379 0.5 804 63.546 1.31264e-05 -3.27445 63.546000 Cu 0.376963 0.224971 0.5 805 63.546 7.74389e-06 -3.27428 63.546000 Cu 0.453904 0.196094 7.25166e-17 806 63.546 7.24463e-06 -3.27422 63.546000 Cu 0.484649 0.209583 0.5 809 63.546 1.60469e-06 -3.27402 63.546000 Cu 0.46156 0.230756 0.5 844 63.546 1.8183e-06 -3.27401 63.546000 Cu 0.592327 0.194212 0.5 628 63.546 1.41547e-05 -3.27377 63.546000 Cu 0.6 0.228857 1.37687e-16 663 63.546 8.9178e-06 -3.27407 63.546000 Cu 0.62309 0.207688 2.84379e-17 664 63.546 1.28696e-05 -3.27399 63.546000 Cu 0.653853 0.221159 0.5 667 63.546 1.06303e-05 -3.27415 63.546000 Cu 0.538486 0.201897 2.36982e-19 807 63.546 4.20971e-06 -3.27385 63.546000 Cu 0.5154 0.223068 3.55473e-19 846 63.546 9.37447e-07 -3.27396 63.546000 Cu 0.569241 0.21538 0.5 847 63.546 5.83931e-06 -3.27394 63.546000 Cu 0.707716 0.213453 2.13284e-18 665 63.546 5.90392e-06 -3.2743 63.546000 Cu 0.676948 0.199988 0.5 666 63.546 1.3053e-05 -3.2741 63.546000 Cu 0.815455 0.198021 0 669 63.546 9.10645e-06 -3.27456 63.546000 Cu 0.761585 0.205738 0.5 671 63.546 8.43219e-07 -3.27446 63.546000 Cu 0.738483 0.226915 0.5 706 63.546 1.56267e-06 -3.27429 63.546000 Cu 0.79235 0.219201 5.13067e-17 708 63.546 2.96291e-06 -3.27443 63.546000 Cu 0.876971 0.224961 0 709 63.546 1.17313e-05 -3.27414 63.546000 Cu 0.846214 0.21149 0.5 710 63.546 1.18224e-05 -3.2745 63.546000 Cu 0.900066 0.203785 5.13067e-17 712 63.546 1.5783e-05 -3.27441 63.546000 Cu 0.984654 0.209579 5.47429e-17 713 63.546 2.18072e-06 -3.27391 63.546000 Cu 0.953907 0.196091 0.5 714 63.546 8.60499e-06 -3.2742 63.546000 Cu 0.930817 0.217266 0.5 715 63.546 8.45312e-06 -3.27404 63.546000 Cu 0.961573 0.230744 1.76552e-17 751 63.546 3.86654e-06 -3.27382 63.546000 Cu 0.0461691 0.236541 7.67823e-17 752 63.546 2.02965e-06 -3.27382 63.546000 Cu 0.0230981 0.257701 1.18491e-19 790 63.546 1.24051e-06 -3.27376 63.546000 Cu 0.107685 0.263499 2.36982e-19 791 63.546 1.35912e-05 -3.27415 63.546000 Cu 0.0769293 0.25002 0.5 792 63.546 6.38778e-06 -3.27393 63.546000 Cu 0.130768 0.242329 5.82976e-17 794 63.546 1.05451e-05 -3.27414 63.546000 Cu 0.161527 0.255802 0.5 797 63.546 1.04394e-05 -3.27428 63.546000 Cu 0.215382 0.248096 1.51669e-17 795 63.546 2.41357e-06 -3.27438 63.546000 Cu 0.18462 0.234628 0.5 796 63.546 5.91817e-06 -3.27432 63.546000 Cu 0.323107 0.232676 2.36982e-19 799 63.546 4.37255e-06 -3.27434 63.546000 Cu 0.269245 0.240385 0.5 801 63.546 3.6106e-07 -3.27439 63.546000 Cu 0.246143 0.261561 0.5 836 63.546 9.10628e-07 -3.27442 63.546000 Cu 0.300006 0.253851 8.57876e-17 838 63.546 2.05776e-06 -3.27433 63.546000 Cu 0.330771 0.267315 0.5 841 63.546 6.18102e-06 -3.27407 63.546000 Cu 0.384628 0.259616 1.50247e-16 839 63.546 8.09195e-06 -3.27396 63.546000 Cu 0.353865 0.246146 0.5 840 63.546 5.88056e-06 -3.27421 63.546000 Cu 0.407716 0.238448 6.58811e-17 842 63.546 5.64677e-06 -3.27409 63.546000 Cu 0.492315 0.244236 4.73965e-19 843 63.546 2.96122e-07 -3.27394 63.546000 Cu 0.438475 0.251924 0.5 845 63.546 3.78011e-06 -3.2739 63.546000 Cu 0.469231 0.2654 2.36982e-19 882 63.546 2.10745e-06 -3.27379 63.546000 Cu 0.576909 0.250025 4.73965e-19 700 63.546 7.61808e-06 -3.27408 63.546000 Cu 0.661518 0.255794 4.005e-17 701 63.546 1.09328e-05 -3.27419 63.546000 Cu 0.630759 0.242329 0.5 702 63.546 1.16811e-05 -3.27414 63.546000 Cu 0.607661 0.263498 0.5 703 63.546 1.60612e-05 -3.27419 63.546000 Cu 0.546156 0.236548 0.5 848 63.546 2.55775e-06 -3.27399 63.546000 Cu 0.523068 0.257715 0.5 884 63.546 1.40433e-06 -3.27395 63.546000 Cu 0.684617 0.234625 2.7016e-17 704 63.546 7.89391e-06 -3.2742 63.546000 Cu 0.76925 0.240373 9.47929e-19 705 63.546 1.04462e-06 -3.27417 63.546000 Cu 0.715382 0.248085 0.5 707 63.546 2.85765e-06 -3.27417 63.546000 Cu 0.823114 0.232664 0.5 711 63.546 6.7103e-06 -3.27417 63.546000 Cu 0.746154 0.26154 5.13067e-17 743 63.546 7.7907e-07 -3.27421 63.546000 Cu 0.830799 0.267286 3.92206e-17 744 63.546 1.05467e-05 -3.274 63.546000 Cu 0.800021 0.25383 0.5 745 63.546 4.65244e-06 -3.27414 63.546000 Cu 0.853881 0.246127 5.13067e-17 747 63.546 1.03422e-05 -3.27406 63.546000 Cu 0.938499 0.251903 1.43967e-16 748 63.546 8.33609e-06 -3.2738 63.546000 Cu 0.907732 0.238431 0.5 749 63.546 1.01876e-05 -3.27394 63.546000 Cu 0.884655 0.25959 0.5 750 63.546 1.38217e-05 -3.27391 63.546000 Cu 0.992336 0.244222 0.5 754 63.546 1.43224e-06 -3.27376 63.546000 Cu 0.969267 0.265377 0.5 788 63.546 7.76397e-06 -3.27369 63.546000 Cu 2.89563e-05 0.278858 1.44915e-16 787 63.546 5.05864e-06 -3.27377 63.546000 Cu 0.053854 0.271183 0.5 793 63.546 5.76416e-06 -3.27398 63.546000 Cu 0.0615144 0.305846 6.48147e-17 827 63.546 3.45356e-05 -3.2744 63.546000 Cu 0.0307788 0.292348 0.5 828 63.546 7.32308e-06 -3.27404 63.546000 Cu 0.0846011 0.28467 5.13067e-17 830 63.546 2.15466e-05 -3.2744 63.546000 Cu 0.138435 0.276977 0.5 832 63.546 2.19469e-05 -3.27455 63.546000 Cu 0.115339 0.298158 0.5 833 63.546 5.27844e-05 -3.27479 63.546000 Cu 0.169184 0.290452 2.36982e-19 831 63.546 2.99564e-05 -3.27476 63.546000 Cu 0.192284 0.269271 5.78237e-17 834 63.546 8.58164e-06 -3.2745 63.546000 Cu 0.276907 0.275023 1.06405e-16 835 63.546 2.23495e-06 -3.27423 63.546000 Cu 0.223042 0.282736 0.5 837 63.546 7.26115e-06 -3.27448 63.546000 Cu 0.199936 0.303915 0.5 872 63.546 2.29196e-05 -3.27445 63.546000 Cu 0.253807 0.296193 1.52854e-16 874 63.546 4.72757e-06 -3.27405 63.546000 Cu 0.307677 0.288479 0.5 876 63.546 1.05057e-05 -3.2738 63.546000 Cu 0.338452 0.301934 7.90336e-17 875 63.546 3.54684e-05 -3.27371 63.546000 Cu 0.361539 0.280777 3.11632e-17 878 63.546 1.61512e-05 -3.27368 63.546000 Cu 0.446147 0.286561 9.45559e-17 879 63.546 8.46499e-06 -3.27379 63.546000 Cu 0.41539 0.273086 0.5 880 63.546 1.04203e-05 -3.27368 63.546000 Cu 0.392305 0.294242 0.5 881 63.546 2.87496e-05 -3.2737 63.546000 Cu 0.49998 0.27888 0.5 885 63.546 1.73108e-06 -3.27395 63.546000 Cu 0.476894 0.300044 0.5 919 63.546 2.73354e-06 -3.27409 63.546000 Cu 0.615322 0.298137 1.20742e-16 737 63.546 2.83029e-05 -3.2745 63.546000 Cu 0.584564 0.284669 0.5 738 63.546 2.44922e-05 -3.27435 63.546000 Cu 0.638418 0.276964 1.25838e-16 739 63.546 1.73148e-05 -3.27435 63.546000 Cu 0.553816 0.271193 5.13067e-17 883 63.546 9.28452e-06 -3.27412 63.546000 Cu 0.530723 0.292363 6.28003e-17 921 63.546 1.57341e-05 -3.27428 63.546000 Cu 0.561471 0.305843 0.5 922 63.546 3.80176e-05 -3.27444 63.546000 Cu 0.723061 0.282706 1.36739e-16 740 63.546 1.66095e-06 -3.27432 63.546000 Cu 0.692284 0.269253 0.5 741 63.546 5.37617e-06 -3.27429 63.546000 Cu 0.669188 0.290423 0.5 742 63.546 1.04741e-05 -3.27445 63.546000 Cu 0.776934 0.274992 0.5 746 63.546 3.98681e-06 -3.27415 63.546000 Cu 0.699969 0.303873 1.18491e-19 778 63.546 4.15135e-06 -3.2744 63.546000 Cu 0.753846 0.296153 0.5 780 63.546 3.8101e-06 -3.27428 63.546000 Cu 0.80772 0.288442 5.13067e-17 782 63.546 1.42659e-05 -3.27405 63.546000 Cu 0.892365 0.294205 1.19913e-16 783 63.546 4.03724e-05 -3.27366 63.546000 Cu 0.861582 0.280743 0.5 784 63.546 2.24033e-05 -3.27377 63.546000 Cu 0.838511 0.301894 0.5 785 63.546 3.44206e-05 -3.27395 63.546000 Cu 0.91543 0.273056 5.13067e-17 786 63.546 1.84853e-05 -3.27367 63.546000 Cu 0.946202 0.286529 0.5 789 63.546 2.26418e-05 -3.27361 63.546000 Cu 0.976963 0.300014 1.9788e-17 826 63.546 1.61278e-05 -3.27373 63.546000 Cu 0.923141 0.307678 0.5 824 63.546 5.11185e-05 -3.2735 63.546000 Cu 0.00770572 0.313513 0.5 829 63.546 1.05641e-05 -3.27399 63.546000 Cu 0.0384238 0.327024 1.18491e-19 866 63.546 5.20817e-05 -3.27445 63.546000 Cu 0.122953 0.332831 7.18056e-17 867 63.546 0.0001684 -3.27498 63.546000 Cu 0.0922352 0.319345 0.5 868 63.546 0.000114358 -3.27466 63.546000 Cu 0.0691142 0.340539 0.5 869 63.546 0.00021597 -3.27507 63.546000 Cu 0.146073 0.311638 9.82292e-17 870 63.546 8.392e-05 -3.27473 63.546000 Cu 0.230703 0.317365 9.17121e-17 871 63.546 7.6605e-06 -3.27442 63.546000 Cu 0.176821 0.3251 0.5 873 63.546 4.70706e-05 -3.27479 63.546000 Cu 0.284584 0.309641 0.5 877 63.546 2.18817e-05 -3.274 63.546000 Cu 0.207598 0.338545 8.64985e-18 909 63.546 1.23437e-05 -3.27482 63.546000 Cu 0.292276 0.344246 2.25133e-18 910 63.546 8.5734e-05 -3.2738 63.546000 Cu 0.261493 0.330808 0.5 911 63.546 2.47609e-05 -3.27447 63.546000 Cu 0.31537 0.32309 8.81574e-17 913 63.546 5.66064e-05 -3.27391 63.546000 Cu 0.399996 0.328869 0 914 63.546 5.55192e-05 -3.27303 63.546000 Cu 0.369229 0.315396 0.5 915 63.546 5.90281e-05 -3.27351 63.546000 Cu 0.346156 0.336543 0.5 916 63.546 0.000129132 -3.27303 63.546000 Cu 0.423066 0.307719 5.61648e-17 917 63.546 1.78607e-05 -3.27368 63.546000 Cu 0.453815 0.321206 0.5 920 63.546 5.5484e-06 -3.27351 63.546000 Cu 0.430749 0.34236 0.5 954 63.546 2.68412e-05 -3.27284 63.546000 Cu 0.48456 0.334701 2.82009e-17 956 63.546 3.10679e-05 -3.27379 63.546000 Cu 0.592228 0.319315 4.7278e-17 774 63.546 4.87046e-05 -3.27454 63.546000 Cu 0.646093 0.311596 0.5 776 63.546 2.13772e-05 -3.27446 63.546000 Cu 0.622992 0.332776 0.5 777 63.546 5.0466e-05 -3.27482 63.546000 Cu 0.507635 0.313534 3.79172e-18 918 63.546 2.79597e-05 -3.2741 63.546000 Cu 0.569128 0.340502 1.00717e-17 957 63.546 0.000120386 -3.27526 63.546000 Cu 0.538382 0.327019 0.5 958 63.546 5.88029e-05 -3.27439 63.546000 Cu 0.676874 0.325045 4.88184e-17 775 63.546 1.19797e-05 -3.2744 63.546000 Cu 0.784641 0.309598 7.50049e-17 779 63.546 1.64532e-05 -3.27422 63.546000 Cu 0.730759 0.317317 0.5 781 63.546 4.21883e-06 -3.27428 63.546000 Cu 0.70767 0.338483 0.5 816 63.546 8.10131e-06 -3.27432 63.546000 Cu 0.761563 0.330755 2.50016e-17 818 63.546 1.78401e-05 -3.27406 63.546000 Cu 0.815439 0.323044 0.5 820 63.546 4.70496e-05 -3.27377 63.546000 Cu 0.792365 0.344189 0.5 821 63.546 7.50287e-05 -3.27371 63.546000 Cu 0.846243 0.336489 3.50734e-17 819 63.546 0.000166729 -3.27308 63.546000 Cu 0.869304 0.315351 3.86281e-17 822 63.546 8.05633e-05 -3.27355 63.546000 Cu 0.953901 0.321167 1.49299e-17 823 63.546 4.30528e-05 -3.27352 63.546000 Cu 0.900087 0.328821 0.5 825 63.546 0.000127636 -3.27307 63.546000 Cu 0.930839 0.342316 0 862 63.546 0.000112099 -3.27276 63.546000 Cu 0.984628 0.334679 0.5 864 63.546 2.4951e-05 -3.27377 63.546000 Cu 0.0153074 0.348209 0 863 63.546 0.00010208 -3.27457 63.546000 Cu 0.0766469 0.375252 1.46929e-17 902 63.546 0.000650879 -3.2759 63.546000 Cu 0.0459601 0.361746 0.5 903 63.546 0.000474658 -3.276 63.546000 Cu 0.0228179 0.38298 0.5 904 63.546 0.00132115 -3.27727 63.546000 Cu 0.0998059 0.354035 4.97663e-17 905 63.546 0.000316692 -3.27532 63.546000 Cu 0.153694 0.346294 0.5 907 63.546 9.30872e-05 -3.27481 63.546000 Cu 0.130548 0.367493 0.5 908 63.546 0.000121663 -3.27424 63.546000 Cu 0.161347 0.380924 4.73965e-17 944 63.546 2.08741e-05 -3.27409 63.546000 Cu 0.184455 0.359733 1.39346e-16 906 63.546 1.8054e-05 -3.2744 63.546000 Cu 0.238368 0.35198 0.5 912 63.546 1.7624e-05 -3.27458 63.546000 Cu 0.215238 0.373163 0.5 946 63.546 3.65693e-05 -3.27549 63.546000 Cu 0.269143 0.365403 0 948 63.546 0.000108445 -3.27408 63.546000 Cu 0.323055 0.35768 0.5 950 63.546 0.00030187 -3.27244 63.546000 Cu 0.299983 0.378807 0.5 951 63.546 0.000755407 -3.27204 63.546000 Cu 0.35385 0.371133 2.36982e-19 949 63.546 0.000598014 -3.27111 63.546000 Cu 0.376927 0.350008 5.13067e-17 952 63.546 0.000187588 -3.27215 63.546000 Cu 0.461474 0.355868 3.80357e-17 953 63.546 5.15829e-05 -3.27358 63.546000 Cu 0.407666 0.363503 0.5 955 63.546 0.000140307 -3.27219 63.546000 Cu 0.438388 0.377036 5.13067e-17 990 63.546 0.000107151 -3.27328 63.546000 Cu 0.492158 0.369402 0.5 992 63.546 0.000263618 -3.27498 63.546000 Cu 0.630612 0.367415 5.3558e-17 811 63.546 4.03309e-05 -3.27444 63.546000 Cu 0.599862 0.353973 0.5 812 63.546 0.000151675 -3.27548 63.546000 Cu 0.576663 0.375192 0.5 813 63.546 0.000496063 -3.27587 63.546000 Cu 0.653768 0.346225 1.18491e-19 814 63.546 2.96056e-05 -3.27448 63.546000 Cu 0.66141 0.38084 0.5 852 63.546 4.30833e-05 -3.27423 63.546000 Cu 0.515291 0.348203 0.5 959 63.546 0.000120785 -3.2749 63.546000 Cu 0.522818 0.382946 1.84846e-17 991 63.546 0.00116261 -3.27716 63.546000 Cu 0.545978 0.361711 2.36982e-19 994 63.546 0.000388826 -3.27606 63.546000 Cu 0.738467 0.351916 8.88684e-17 815 63.546 1.67493e-05 -3.27451 63.546000 Cu 0.684552 0.359657 0.5 817 63.546 1.14132e-05 -3.27427 63.546000 Cu 0.715321 0.37309 7.60713e-17 854 63.546 4.11158e-05 -3.27524 63.546000 Cu 0.800075 0.378746 0 855 63.546 0.000784789 -3.27178 63.546000 Cu 0.76926 0.365338 0.5 856 63.546 9.38363e-05 -3.27419 63.546000 Cu 0.823171 0.357622 6.91988e-17 858 63.546 0.000329716 -3.2725 63.546000 Cu 0.907766 0.363458 4.73965e-18 859 63.546 0.000296383 -3.27243 63.546000 Cu 0.877028 0.349955 0.5 860 63.546 0.000308254 -3.27223 63.546000 Cu 0.853956 0.371077 0.5 861 63.546 0.00079558 -3.27146 63.546000 Cu 0.961535 0.355845 0.5 865 63.546 5.74812e-05 -3.27326 63.546000 Cu 0.938449 0.377014 0.5 899 63.546 0.000105955 -3.27373 63.546000 Cu 0.992183 0.369407 5.13067e-17 901 63.546 0.000241181 -3.27509 63.546000 Cu 0.884701 0.384599 5.13067e-17 897 63.546 0.000562591 -3.2723 63.546000 Cu 0.0303777 0.417778 5.13067e-17 937 63.546 0.00641428 -3.28038 63.546000 Cu 0.0534961 0.39649 5.46244e-17 940 63.546 0.00159214 -3.27769 63.546000 Cu 0.138314 0.402106 5.45059e-18 941 63.546 0.000300735 -3.27335 63.546000 Cu 0.107438 0.388692 0.5 942 63.546 8.67683e-05 -3.2737 63.546000 Cu 0.0843539 0.409885 0.5 943 63.546 0.000627653 -3.27101 63.546000 Cu 0.246055 0.38657 1.25601e-17 945 63.546 0.000173597 -3.2756 63.546000 Cu 0.192163 0.394365 0.5 947 63.546 0.000423426 -3.27746 63.546000 Cu 0.16911 0.415597 0.5 980 63.546 0.00377895 -3.28219 63.546000 Cu 0.222988 0.407744 5.13067e-17 982 63.546 0.00124217 -3.27792 63.546000 Cu 0.308042 0.41329 1.18491e-19 983 63.546 0.00778196 -3.26376 63.546000 Cu 0.276986 0.399917 0.5 984 63.546 0.0021732 -3.27007 63.546000 Cu 0.254114 0.420954 0.5 985 63.546 0.0085886 -3.2637 63.546000 Cu 0.330886 0.392237 4.33678e-17 986 63.546 0.00215388 -3.27055 63.546000 Cu 0.415375 0.398214 5.13067e-17 987 63.546 0.000148663 -3.27356 63.546000 Cu 0.384652 0.38464 0.5 988 63.546 0.000475982 -3.27252 63.546000 Cu 0.36168 0.405788 0.5 989 63.546 0.000784833 -3.27275 63.546000 Cu 0.469074 0.390617 0.5 993 63.546 0.000512659 -3.27548 63.546000 Cu 0.392389 0.41938 3.55473e-19 1013 63.546 0.000380419 -3.2717 63.546000 Cu 0.446047 0.411843 0.5 1015 63.546 0.00101944 -3.27531 63.546000 Cu 0.4997 0.404228 2.07359e-17 1017 63.546 0.00397475 -3.28109 63.546000 Cu 0.584404 0.409815 3.31775e-17 849 63.546 0.000805557 -3.27097 63.546000 Cu 0.607468 0.388616 2.36982e-17 850 63.546 0.000108576 -3.27394 63.546000 Cu 0.638384 0.402028 0.5 853 63.546 0.00039586 -3.27392 63.546000 Cu 0.553531 0.396441 0.5 1018 63.546 0.00144279 -3.27769 63.546000 Cu 0.530384 0.417733 0.5 1019 63.546 0.00592546 -3.28101 63.546000 Cu 0.692229 0.394285 5.13067e-17 851 63.546 0.000360351 -3.27798 63.546000 Cu 0.746126 0.386495 0.5 857 63.546 0.000206228 -3.2754 63.546000 Cu 0.669169 0.415522 0 889 63.546 0.00380338 -3.28273 63.546000 Cu 0.754194 0.420874 3.55473e-19 890 63.546 0.00935716 -3.26371 63.546000 Cu 0.723079 0.407669 0.5 891 63.546 0.00128687 -3.27819 63.546000 Cu 0.777087 0.399846 7.92706e-17 893 63.546 0.00232626 -3.27045 63.546000 Cu 0.830958 0.392177 0.5 895 63.546 0.00231657 -3.26975 63.546000 Cu 0.808163 0.413229 0.5 896 63.546 0.00779168 -3.26453 63.546000 Cu 0.999722 0.404251 0.5 938 63.546 0.00410209 -3.2807 63.546000 Cu 0.861786 0.405733 3.81541e-17 894 63.546 0.000906302 -3.27263 63.546000 Cu 0.969094 0.390618 2.36982e-19 898 63.546 0.000505928 -3.27558 63.546000 Cu 0.915405 0.398181 0.5 900 63.546 0.000236162 -3.27324 63.546000 Cu 0.892503 0.419338 0.5 934 63.546 0.000508214 -3.27101 63.546000 Cu 0.946136 0.411832 5.13067e-17 936 63.546 0.00104368 -3.27454 63.546000 Cu 0.00709985 0.439135 5.13067e-17 974 63.546 0.0321369 -3.28502 63.546000 Cu 0.0928354 0.444248 3.69692e-17 975 63.546 0.057487 -3.23342 63.546000 Cu 0.061378 0.431024 0.5 976 63.546 0.00677744 -3.2599 63.546000 Cu 0.0385381 0.452043 0.5 977 63.546 0.0633724 -3.22445 63.546000 Cu 0.11543 0.423246 5.13067e-17 978 63.546 0.00472259 -3.2665 63.546000 Cu 0.146125 0.436908 0.5 981 63.546 0.0290262 -3.28904 63.546000 Cu 0.12347 0.458552 0.5 1003 63.546 0.273695 -3.2813 63.546000 Cu 0.19994 0.428936 5.13067e-17 979 63.546 0.00897754 -3.28318 63.546000 Cu 0.176691 0.450208 5.13067e-17 1005 63.546 0.0659339 -3.28328 63.546000 Cu 0.263368 0.454812 5.13067e-17 1006 63.546 0.268639 -3.17673 63.546000 Cu 0.231318 0.441862 0.5 1007 63.546 0.0397666 -3.24314 63.546000 Cu 0.285475 0.434202 5.13067e-17 1009 63.546 0.0385902 -3.24679 63.546000 Cu 0.316115 0.448157 0.5 1012 63.546 0.0423455 -3.27415 63.546000 Cu 0.369463 0.440511 5.13067e-17 1010 63.546 0.00357269 -3.26419 63.546000 Cu 0.338834 0.426924 0.5 1011 63.546 0.0026332 -3.27346 63.546000 Cu 0.476617 0.425591 3.55473e-19 1014 63.546 0.0175626 -3.28604 63.546000 Cu 0.42323 0.433029 0.5 1016 63.546 0.00755068 -3.26412 63.546000 Cu 0.400835 0.454038 0.5 1029 63.546 0.148416 -3.19523 63.546000 Cu 0.453517 0.447138 2.82009e-17 1031 63.546 0.102486 -3.28659 63.546000 Cu 0.483477 0.460689 0.5 1034 63.546 0.216541 -3.2776 63.546000 Cu 0.646164 0.436842 3.47179e-17 886 63.546 0.0305522 -3.28903 63.546000 Cu 0.61547 0.423178 0.5 887 63.546 0.00477555 -3.26635 63.546000 Cu 0.592866 0.444174 0.5 888 63.546 0.0598431 -3.2317 63.546000 Cu 0.62349 0.458484 5.13067e-17 924 63.546 0.279885 -3.28123 63.546000 Cu 0.538533 0.451975 5.13067e-17 1032 63.546 0.0674053 -3.2236 63.546000 Cu 0.50709 0.439092 0.5 1033 63.546 0.0308575 -3.28437 63.546000 Cu 0.561446 0.430958 4.62115e-17 1035 63.546 0.00781543 -3.25954 63.546000 Cu 0.7 0.428853 0.5 892 63.546 0.00850529 -3.28371 63.546000 Cu 0.676712 0.450135 0.5 926 63.546 0.0670082 -3.28348 63.546000 Cu 0.731361 0.441778 5.13067e-17 928 63.546 0.0423237 -3.24298 63.546000 Cu 0.816171 0.448093 5.13067e-17 929 63.546 0.0442193 -3.27496 63.546000 Cu 0.785543 0.434134 0.5 930 63.546 0.0380883 -3.2468 63.546000 Cu 0.763374 0.454716 0.5 931 63.546 0.27405 -3.17492 63.546000 Cu 0.838917 0.426866 5.13067e-17 932 63.546 0.00255459 -3.27405 63.546000 Cu 0.92327 0.432997 5.92456e-19 933 63.546 0.00841038 -3.2629 63.546000 Cu 0.869551 0.440454 0.5 935 63.546 0.00422726 -3.26397 63.546000 Cu 0.976654 0.425607 0.5 939 63.546 0.018083 -3.28537 63.546000 Cu 0.900929 0.453985 4.73965e-19 970 63.546 0.160277 -3.19291 63.546000 Cu 0.983506 0.460727 1.59845e-16 971 63.546 0.217416 -3.27897 63.546000 Cu 0.95357 0.447151 0.5 972 63.546 0.105992 -3.28712 63.546000 Cu 0.84634 0.461535 0.5 968 63.546 0.0798595 -3.2208 63.546000 Cu 0.0496141 0.484203 4.14719e-18 998 63.546 9.72147 -2.643 63.546000 Cu 0.0158714 0.472864 0.5 999 63.546 0.903951 -3.10307 63.546000 Cu 0.0713811 0.464842 1.57593e-17 1001 63.546 0.76629 -3.09211 63.546000 Cu 0.153442 0.471918 5.13067e-17 1002 63.546 0.605979 -3.30788 63.546000 Cu 0.103423 0.481841 0.5 1004 63.546 3.76343 -3.37704 63.546000 Cu 0.140386 0.494458 0 1020 63.546 4.02588 -3.43351 63.546000 Cu 0.0099536 0.494531 0.5 1000 63.546 2.36381 -3.12685 63.546000 Cu 0.208667 0.462577 0.5 1008 63.546 0.248625 -3.17568 63.546000 Cu 0.228128 0.493945 1.83661e-17 1021 63.546 10.1369 -2.56511 63.546000 Cu 0.190248 0.483514 0.5 1022 63.546 2.13371 -3.11961 63.546000 Cu 0.242131 0.474793 5.13067e-17 1023 63.546 2.92424 -2.88389 63.546000 Cu 0.324267 0.483332 4.86999e-17 1024 63.546 6.52008 -3.29637 63.546000 Cu 0.293712 0.469982 0.5 1025 63.546 0.846341 -3.25032 63.546000 Cu 0.28235 0.495245 0.5 1026 63.546 5.36877 -3.43645 63.546000 Cu 0.460662 0.4834 0.5 513 63.546 3.55552 -3.4258 63.546000 Cu 0.422559 0.496106 5.13067e-17 521 63.546 3.88879 -3.34372 63.546000 Cu 0.346283 0.461619 5.13067e-17 1027 63.546 0.0765483 -3.22205 63.546000 Cu 0.431134 0.469535 5.13067e-17 1028 63.546 1.2446 -3.24749 63.546000 Cu 0.378737 0.474295 0.5 1030 63.546 3.5184 -2.85992 63.546000 Cu 0.368639 0.493676 0.5 1036 63.546 9.7476 -2.66471 63.546000 Cu 0.509934 0.494457 0 519 63.546 2.36888 -3.12779 63.546000 Cu 0.54983 0.484131 0.5 35 63.546 9.69063 -2.6459 63.546000 Cu 0.571403 0.464749 0.5 65 63.546 0.781907 -3.09183 63.546000 Cu 0.515954 0.472804 2.31058e-17 494 63.546 0.901729 -3.10397 63.546000 Cu 0.603666 0.481757 5.13067e-17 923 63.546 3.73902 -3.37649 63.546000 Cu 0.653597 0.471829 0.5 927 63.546 0.600958 -3.30883 63.546000 Cu 0.640626 0.494352 0.5 961 63.546 3.99579 -3.43104 63.546000 Cu 0.708752 0.462497 5.13067e-17 925 63.546 0.24765 -3.17592 63.546000 Cu 0.690465 0.483437 5.13067e-17 962 63.546 2.12367 -3.12242 63.546000 Cu 0.782597 0.495183 7.10947e-19 963 63.546 5.29514 -3.43323 63.546000 Cu 0.742306 0.474697 0.5 964 63.546 2.95786 -2.88366 63.546000 Cu 0.728443 0.493871 0.5 965 63.546 10.1066 -2.56717 63.546000 Cu 0.793784 0.469894 1.18491e-19 966 63.546 0.854405 -3.24766 63.546000 Cu 0.824382 0.483258 0.5 969 63.546 6.50655 -3.29955 63.546000 Cu 0.878682 0.4742 5.13067e-17 967 63.546 3.66303 -2.8526 63.546000 Cu 0.931102 0.469548 0.5 973 63.546 1.28504 -3.24766 63.546000 Cu 0.868951 0.493598 8.78019e-17 995 63.546 9.72667 -2.67172 63.546000 Cu 0.922691 0.49615 0.5 996 63.546 3.76738 -3.33683 63.546000 Cu 0.960522 0.483424 5.13067e-17 997 63.546 3.63034 -3.4288 63.546000 Cu 0.0597959 0.503653 3.55473e-19 3 63.546 4.19514 -2.82563 63.546000 Cu 0.11196 0.508178 0.5 6 63.546 1.3146 -3.26764 63.546000 Cu 0.0271078 0.515778 0.5 19 63.546 0.317341 -3.1532 63.546000 Cu 0.0822931 0.523575 5.13067e-17 21 63.546 0.286396 -3.17671 63.546000 Cu 0.13542 0.530329 0.5 23 63.546 0.0943352 -3.29453 63.546000 Cu 0.0507955 0.536541 0.5 24 63.546 0.0362463 -3.24007 63.546000 Cu 0.164718 0.516983 1.18491e-19 4 63.546 0.222279 -3.2775 63.546000 Cu 0.196239 0.505138 0.5 5 63.546 1.22031 -3.06563 63.546000 Cu 0.252904 0.512867 4.86999e-17 7 63.546 1.04437 -3.07041 63.546000 Cu 0.275173 0.533187 5.13067e-17 8 63.546 0.1018 -3.22072 63.546000 Cu 0.305157 0.518682 0.5 9 63.546 0.248486 -3.26258 63.546000 Cu 0.220614 0.525608 0.5 10 63.546 0.105357 -3.21941 63.546000 Cu 0.189394 0.538324 5.13067e-17 25 63.546 0.0267478 -3.28784 63.546000 Cu 0.334018 0.50538 1.96695e-17 1 63.546 0.594523 -3.21398 63.546000 Cu 0.390234 0.513249 0.5 2 63.546 0.559799 -3.11153 63.546000 Cu 0.358442 0.526575 2.089e-16 11 63.546 0.0138289 -3.25306 63.546000 Cu 0.412545 0.53412 0.5 13 63.546 0.0235785 -3.24979 63.546000 Cu 0.442385 0.519695 1.6174e-16 66 63.546 0.305408 -3.27207 63.546000 Cu 0.472045 0.506179 0.5 67 63.546 0.72067 -3.29466 63.546000 Cu 0.495922 0.528108 0.5 71 63.546 0.0716429 -3.2762 63.546000 Cu 0.559848 0.503558 0.5 36 63.546 4.19897 -2.82381 63.546000 Cu 0.527187 0.515693 4.14719e-18 68 63.546 0.315406 -3.15386 63.546000 Cu 0.550861 0.536467 1.18491e-19 69 63.546 0.0351594 -3.2401 63.546000 Cu 0.582312 0.523469 0.5 70 63.546 0.286563 -3.1745 63.546000 Cu 0.63535 0.530198 5.13067e-17 72 63.546 0.103907 -3.29339 63.546000 Cu 0.612121 0.508014 2.36982e-19 960 63.546 1.35445 -3.26971 63.546000 Cu 0.664713 0.516864 0.5 40 63.546 0.228915 -3.27782 63.546000 Cu 0.696431 0.505041 1 37 63.546 1.21384 -3.06526 63.546000 Cu 0.720532 0.525532 1.83661e-17 38 63.546 0.10839 -3.21782 63.546000 Cu 0.752862 0.512795 0.5 39 63.546 1.04289 -3.06669 63.546000 Cu 0.80503 0.518625 1.60792e-16 41 63.546 0.248254 -3.26349 63.546000 Cu 0.774972 0.533139 0.5 44 63.546 0.106615 -3.22008 63.546000 Cu 0.689226 0.538207 0.5 74 63.546 0.0318024 -3.28632 63.546000 Cu 0.890151 0.513197 2.36982e-19 15 63.546 0.530661 -3.1148 63.546000 Cu 0.834013 0.505312 0.5 16 63.546 0.593346 -3.21912 63.546000 Cu 0.972069 0.506226 8.12849e-17 17 63.546 0.7006 -3.2934 63.546000 Cu 0.995788 0.528154 5.13067e-17 18 63.546 0.0723226 -3.27406 63.546000 Cu 0.942258 0.51971 0.5 20 63.546 0.302838 -3.27284 63.546000 Cu 0.858271 0.526526 0.5 43 63.546 0.0134962 -3.25436 63.546000 Cu 0.912406 0.534085 3.55473e-19 45 63.546 0.0219951 -3.25045 63.546000 Cu 0.105415 0.544262 5.13067e-17 22 63.546 0.0279776 -3.25369 63.546000 Cu 0.159205 0.551687 0.5 28 63.546 0.0099555 -3.28624 63.546000 Cu 0.0200989 0.549485 1.86031e-17 49 63.546 0.0115004 -3.27912 63.546000 Cu 0.0441755 0.570713 5.13067e-17 50 63.546 0.00241405 -3.27613 63.546000 Cu 0.0746423 0.557504 0.5 51 63.546 0.00546319 -3.26255 63.546000 Cu 0.129042 0.56525 5.13067e-17 53 63.546 0.00367908 -3.26865 63.546000 Cu 0.328419 0.540161 0.5 14 63.546 0.0135928 -3.27467 63.546000 Cu 0.213377 0.559512 1.25601e-17 26 63.546 0.00314885 -3.27923 63.546000 Cu 0.244014 0.546393 0.5 27 63.546 0.0201867 -3.25488 63.546000 Cu 0.298256 0.55398 1.23112e-16 29 63.546 0.0165456 -3.25768 63.546000 Cu 0.321936 0.574971 5.13067e-17 30 63.546 0.00405165 -3.26776 63.546000 Cu 0.26776 0.56734 0.5 32 63.546 0.00399285 -3.26628 63.546000 Cu 0.183134 0.572896 0.5 55 63.546 0.000763039 -3.2792 63.546000 Cu 0.382008 0.547736 6.94358e-17 12 63.546 0.00124282 -3.27078 63.546000 Cu 0.352082 0.561357 0.5 31 63.546 0.0011431 -3.27329 63.546000 Cu 0.405968 0.568902 1.18491e-19 33 63.546 9.02689e-05 -3.27415 63.546000 Cu 0.46593 0.5415 1.83661e-17 103 63.546 0.0382682 -3.29051 63.546000 Cu 0.490019 0.562861 1.84254e-16 104 63.546 0.00854883 -3.28235 63.546000 Cu 0.43608 0.555277 0.5 106 63.546 0.00186907 -3.27511 63.546000 Cu 0.459971 0.576474 0.5 141 63.546 0.000981996 -3.2765 63.546000 Cu 0.659145 0.551577 2.93858e-17 73 63.546 0.0126264 -3.28645 63.546000 Cu 0.605353 0.544168 0.5 75 63.546 0.0272005 -3.25328 63.546000 Cu 0.520136 0.549451 0.5 105 63.546 0.0113237 -3.27998 63.546000 Cu 0.574646 0.557439 1.59015e-16 107 63.546 0.00487081 -3.26301 63.546000 Cu 0.629013 0.565167 0.5 109 63.546 0.00353393 -3.26876 63.546000 Cu 0.544181 0.57068 0.5 110 63.546 0.00274385 -3.27636 63.546000 Cu 0.828239 0.540099 1.59963e-17 42 63.546 0.0150416 -3.27548 63.546000 Cu 0.743836 0.54633 0 76 63.546 0.0225293 -3.25461 63.546000 Cu 0.767623 0.567288 5.13067e-17 77 63.546 0.00473365 -3.26737 63.546000 Cu 0.798161 0.553928 0.5 78 63.546 0.0178086 -3.25921 63.546000 Cu 0.713214 0.559435 0.5 79 63.546 0.00391971 -3.28028 63.546000 Cu 0.821791 0.574915 0.5 83 63.546 0.00371074 -3.26749 63.546000 Cu 0.683017 0.572819 2.82009e-17 111 63.546 0.00108964 -3.27942 63.546000 Cu 0.935989 0.555258 2.36982e-19 46 63.546 0.00187531 -3.27532 63.546000 Cu 0.965872 0.541498 0.5 47 63.546 0.0395408 -3.28919 63.546000 Cu 0.881967 0.547683 0.5 48 63.546 0.000622607 -3.2717 63.546000 Cu 0.989986 0.562855 0.5 52 63.546 0.0096238 -3.28248 63.546000 Cu 0.851986 0.561297 5.13067e-17 80 63.546 0.0013149 -3.27427 63.546000 Cu 0.90586 0.56886 0.5 82 63.546 8.9707e-05 -3.27422 63.546000 Cu 0.959873 0.576442 0 84 63.546 0.00133798 -3.27586 63.546000 Cu 0.152785 0.586343 5.53354e-17 54 63.546 0.000468412 -3.27252 63.546000 Cu 0.0985221 0.578576 0.5 56 63.546 0.000672094 -3.27033 63.546000 Cu 0.0139278 0.584114 0.5 86 63.546 0.00291971 -3.27787 63.546000 Cu 0.068113 0.591919 8.88684e-18 88 63.546 0.000626993 -3.27572 63.546000 Cu 0.0918413 0.613131 1 89 63.546 0.000351386 -3.27557 63.546000 Cu 0.122323 0.599726 0.5 90 63.546 0.000175048 -3.27247 63.546000 Cu 0.0377773 0.605354 0.5 91 63.546 0.00102643 -3.27702 63.546000 Cu 0.237316 0.580653 5.13067e-17 57 63.546 0.000312807 -3.27616 63.546000 Cu 0.261005 0.601799 5.13067e-17 58 63.546 0.000107089 -3.27389 63.546000 Cu 0.291453 0.5884 0.5 59 63.546 0.00113563 -3.27116 63.546000 Cu 0.206902 0.59406 0.5 60 63.546 3.96759e-05 -3.27492 63.546000 Cu 0.315113 0.609516 0.5 64 63.546 0.000748541 -3.27255 63.546000 Cu 0.176461 0.607483 9.23046e-17 92 63.546 0.000161601 -3.27241 63.546000 Cu 0.230531 0.615218 0.5 94 63.546 0.000246127 -3.27381 63.546000 Cu 0.37585 0.582501 0.5 34 63.546 0.000472343 -3.27272 63.546000 Cu 0.345545 0.596052 3.48364e-17 61 63.546 0.00123693 -3.27126 63.546000 Cu 0.399538 0.603637 0.5 63 63.546 0.000273598 -3.27288 63.546000 Cu 0.429793 0.590073 5.13067e-17 140 63.546 0.000108141 -3.2739 63.546000 Cu 0.483796 0.597673 0.5 145 63.546 0.000687331 -3.27522 63.546000 Cu 0.453497 0.611238 2.31058e-17 177 63.546 0.000330875 -3.27428 63.546000 Cu 0.598447 0.578513 1.33895e-17 108 63.546 0.000436687 -3.26967 63.546000 Cu 0.652695 0.586266 0.5 114 63.546 0.000220104 -3.27146 63.546000 Cu 0.513954 0.584127 4.06425e-17 142 63.546 0.00229551 -3.27809 63.546000 Cu 0.537828 0.605348 5.13067e-17 143 63.546 0.000943158 -3.276 63.546000 Cu 0.568112 0.591886 0.5 144 63.546 0.000702566 -3.2748 63.546000 Cu 0.622288 0.59965 2.36982e-19 146 63.546 0.000200391 -3.27199 63.546000 Cu 0.591862 0.613084 0.5 149 63.546 0.000475634 -3.27571 63.546000 Cu 0.706851 0.593986 5.13067e-17 112 63.546 7.36399e-05 -3.27442 63.546000 Cu 0.737193 0.580599 0.5 113 63.546 0.000280543 -3.27581 63.546000 Cu 0.791401 0.588337 3.55473e-19 115 63.546 0.0011239 -3.26964 63.546000 Cu 0.815103 0.609444 8.29438e-18 116 63.546 0.000807596 -3.2725 63.546000 Cu 0.761026 0.601725 0.5 118 63.546 0.000311821 -3.27356 63.546000 Cu 0.676434 0.607397 0.5 148 63.546 0.000247169 -3.2735 63.546000 Cu 0.730489 0.615138 2.15654e-17 150 63.546 0.000277081 -3.27468 63.546000 Cu 0.875749 0.582448 1.18491e-19 81 63.546 0.000357892 -3.27267 63.546000 Cu 0.983758 0.597631 1.18491e-19 85 63.546 0.00136395 -3.27523 63.546000 Cu 0.929742 0.590018 0.5 87 63.546 0.000155363 -3.27304 63.546000 Cu 0.845554 0.595987 0.5 117 63.546 0.0013562 -3.27082 63.546000 Cu 0.899544 0.603588 1.18491e-19 119 63.546 0.000583052 -3.27238 63.546000 Cu 0.953448 0.611192 0.5 121 63.546 0.000474334 -3.27421 63.546000 Cu 0.14588 0.620901 0.5 95 63.546 0.000207456 -3.2741 63.546000 Cu 0.00733342 0.618857 0 123 63.546 0.000646665 -3.27655 63.546000 Cu 0.0305494 0.640082 0 124 63.546 0.000178502 -3.27586 63.546000 Cu 0.0612417 0.62659 0.5 125 63.546 0.000313188 -3.2767 63.546000 Cu 0.115156 0.634342 7.05022e-17 127 63.546 9.57745e-05 -3.2752 63.546000 Cu 0.0844002 0.647809 0.5 130 63.546 8.25881e-05 -3.27501 63.546000 Cu 0.199845 0.628647 8.93423e-17 93 63.546 0.000111433 -3.27418 63.546000 Cu 0.284517 0.62295 3.31775e-18 96 63.546 0.000290707 -3.27405 63.546000 Cu 0.307648 0.644118 0 97 63.546 0.00011243 -3.27467 63.546000 Cu 0.253756 0.636386 0.5 99 63.546 3.99984e-05 -3.27478 63.546000 Cu 0.169048 0.642089 0.5 129 63.546 1.82753e-05 -3.27426 63.546000 Cu 0.222938 0.649831 2.36982e-19 131 63.546 3.69819e-06 -3.27436 63.546000 Cu 0.369105 0.617173 1.13041e-16 62 63.546 0.000739147 -3.27278 63.546000 Cu 0.338443 0.630659 0.5 98 63.546 0.000447018 -3.27365 63.546000 Cu 0.392289 0.638328 5.69942e-17 100 63.546 0.000289419 -3.27356 63.546000 Cu 0.361522 0.651826 0.5 102 63.546 0.000217107 -3.27411 63.546000 Cu 0.476764 0.632423 1.10315e-16 178 63.546 8.70592e-05 -3.2746 63.546000 Cu 0.42297 0.624795 0.5 180 63.546 0.000220069 -3.27375 63.546000 Cu 0.446091 0.645976 0.5 214 63.546 5.69138e-05 -3.27406 63.546000 Cu 0.499873 0.653625 2.46462e-17 215 63.546 3.10896e-05 -3.27473 63.546000 Cu 0.645861 0.620834 0 147 63.546 0.000248017 -3.27538 63.546000 Cu 0.507379 0.618871 0.5 179 63.546 0.000574899 -3.27559 63.546000 Cu 0.561255 0.626564 1.00007e-16 181 63.546 0.000425783 -3.2762 63.546000 Cu 0.584376 0.647777 1.3034e-18 182 63.546 0.000237702 -3.2748 63.546000 Cu 0.615126 0.634295 0.5 183 63.546 0.00010636 -3.2753 63.546000 Cu 0.530556 0.640083 0.5 184 63.546 0.000215082 -3.27508 63.546000 Cu 0.753671 0.636318 5.45059e-18 151 63.546 1.88318e-05 -3.27454 63.546000 Cu 0.784441 0.622874 0.5 152 63.546 0.000191369 -3.27411 63.546000 Cu 0.699778 0.628576 0.5 153 63.546 7.31183e-05 -3.27496 63.546000 Cu 0.807544 0.644046 0.5 157 63.546 7.2805e-05 -3.27408 63.546000 Cu 0.669015 0.642035 5.13067e-17 185 63.546 1.40125e-05 -3.27447 63.546000 Cu 0.722888 0.649771 0.5 187 63.546 5.47137e-06 -3.27433 63.546000 Cu 0.922896 0.62474 3.86281e-17 120 63.546 0.000173185 -3.27313 63.546000 Cu 0.869054 0.61711 0.5 122 63.546 0.000710529 -3.27209 63.546000 Cu 0.976722 0.632386 0.5 126 63.546 0.000194445 -3.2752 63.546000 Cu 0.838332 0.630588 2.36982e-19 154 63.546 0.000303227 -3.27303 63.546000 Cu 0.861413 0.651753 1.18491e-19 155 63.546 0.00012719 -3.27412 63.546000 Cu 0.892175 0.638258 0.5 156 63.546 0.000135501 -3.27324 63.546000 Cu 0.946004 0.645916 5.05957e-17 158 63.546 2.16666e-05 -3.27453 63.546000 Cu 0.999822 0.653594 0.5 160 63.546 6.47083e-05 -3.27505 63.546000 Cu 0.138264 0.655544 1.10789e-16 128 63.546 3.49899e-05 -3.27412 63.546000 Cu 0.0536497 0.661298 4.005e-17 162 63.546 6.07174e-05 -3.27476 63.546000 Cu 0.0767459 0.682501 5.13067e-17 163 63.546 3.20946e-05 -3.27426 63.546000 Cu 0.107498 0.669016 0.5 164 63.546 4.22955e-05 -3.27438 63.546000 Cu 0.0229087 0.674797 0.5 165 63.546 3.0835e-05 -3.274 63.546000 Cu 0.16137 0.676743 7.67823e-17 166 63.546 2.37805e-05 -3.27444 63.546000 Cu 0.130608 0.690217 0.5 169 63.546 2.46471e-05 -3.27464 63.546000 Cu 0.246038 0.671018 1.57593e-17 132 63.546 3.63548e-06 -3.274 63.546000 Cu 0.276831 0.657569 0.5 133 63.546 1.95356e-05 -3.27436 63.546000 Cu 0.192145 0.663281 0.5 134 63.546 1.39618e-05 -3.274 63.546000 Cu 0.330725 0.665296 0 135 63.546 9.066e-05 -3.27386 63.546000 Cu 0.299935 0.67875 0.5 138 63.546 1.45892e-05 -3.27365 63.546000 Cu 0.21526 0.684475 0.5 168 63.546 9.28333e-06 -3.27449 63.546000 Cu 0.269153 0.692206 8.69725e-17 170 63.546 5.14882e-06 -3.27433 63.546000 Cu 0.415366 0.659505 5.13067e-17 101 63.546 0.000170149 -3.27406 63.546000 Cu 0.353822 0.686468 1.19439e-16 136 63.546 4.04362e-05 -3.27319 63.546000 Cu 0.384601 0.673 0.5 137 63.546 0.000133732 -3.27335 63.546000 Cu 0.469186 0.667169 0.5 218 63.546 6.06472e-05 -3.27442 63.546000 Cu 0.438453 0.680684 1.12093e-16 251 63.546 9.786e-05 -3.27324 63.546000 Cu 0.492285 0.688356 0.5 253 63.546 3.96514e-05 -3.27345 63.546000 Cu 0.638237 0.6555 0.5 188 63.546 9.99943e-05 -3.27445 63.546000 Cu 0.522996 0.674834 2.51201e-17 216 63.546 1.69522e-05 -3.27475 63.546000 Cu 0.553678 0.661297 0.5 217 63.546 0.000110769 -3.27519 63.546000 Cu 0.607506 0.668993 3.55473e-19 219 63.546 0.000138044 -3.2751 63.546000 Cu 0.630643 0.690207 4.73965e-19 220 63.546 5.80563e-05 -3.27456 63.546000 Cu 0.661363 0.676711 0.5 221 63.546 7.74293e-05 -3.27477 63.546000 Cu 0.576811 0.682512 0.5 222 63.546 3.98793e-05 -3.27479 63.546000 Cu 0.692114 0.663235 2.36982e-19 186 63.546 2.12561e-05 -3.27451 63.546000 Cu 0.776767 0.657508 5.13067e-17 189 63.546 1.53294e-05 -3.27477 63.546000 Cu 0.799881 0.678705 5.13067e-17 190 63.546 2.97008e-05 -3.27426 63.546000 Cu 0.830648 0.665235 0.5 191 63.546 7.2484e-05 -3.27461 63.546000 Cu 0.745999 0.670974 0.5 192 63.546 2.58124e-06 -3.27472 63.546000 Cu 0.715234 0.684441 4.73965e-19 223 63.546 2.0444e-05 -3.27434 63.546000 Cu 0.769113 0.69217 0.5 225 63.546 6.17778e-06 -3.27381 63.546000 Cu 0.969091 0.66711 2.7253e-18 159 63.546 9.90294e-06 -3.274 63.546000 Cu 0.915264 0.659435 0.5 161 63.546 3.95119e-05 -3.27415 63.546000 Cu 0.884516 0.672936 1.71931e-16 193 63.546 7.04651e-05 -3.27378 63.546000 Cu 0.938356 0.680618 0.5 195 63.546 1.50837e-05 -3.27317 63.546000 Cu 0.853755 0.686418 0.5 196 63.546 5.47593e-05 -3.27334 63.546000 Cu 0.992177 0.688298 1.31525e-17 197 63.546 9.31948e-06 -3.27343 63.546000 Cu 0.0152758 0.709489 6.17339e-17 198 63.546 6.69356e-06 -3.27418 63.546000 Cu 0.0460087 0.695993 0.5 199 63.546 1.9571e-05 -3.27417 63.546000 Cu 0.0998647 0.703703 5.13067e-17 201 63.546 1.69816e-05 -3.27467 63.546000 Cu 0.122997 0.724908 0 202 63.546 7.12396e-06 -3.27457 63.546000 Cu 0.153738 0.711423 0.5 203 63.546 9.7053e-06 -3.27476 63.546000 Cu 0.0691295 0.717194 0.5 204 63.546 7.68647e-06 -3.27457 63.546000 Cu 0.038393 0.730686 1.18491e-19 235 63.546 4.08515e-06 -3.27431 63.546000 Cu 0.18449 0.697944 1.18491e-19 167 63.546 1.11499e-05 -3.27479 63.546000 Cu 0.292261 0.7134 6.62365e-17 171 63.546 4.70312e-06 -3.27462 63.546000 Cu 0.323039 0.699931 0.5 172 63.546 1.25323e-05 -3.2741 63.546000 Cu 0.238378 0.705674 0.5 173 63.546 3.33103e-06 -3.27473 63.546000 Cu 0.207618 0.719148 5.77052e-17 205 63.546 3.08772e-06 -3.27468 63.546000 Cu 0.261498 0.726874 0.5 207 63.546 1.61151e-06 -3.27459 63.546000 Cu 0.40769 0.694168 0.5 139 63.546 4.60909e-05 -3.27301 63.546000 Cu 0.376913 0.707642 4.005e-17 174 63.546 2.01221e-05 -3.27391 63.546000 Cu 0.399999 0.728823 1.56764e-16 175 63.546 1.2595e-05 -3.27414 63.546000 Cu 0.346136 0.721118 0.5 176 63.546 1.16517e-05 -3.27442 63.546000 Cu 0.461539 0.701854 5.13067e-17 252 63.546 2.61864e-05 -3.27312 63.546000 Cu 0.430771 0.71534 0.5 288 63.546 1.55124e-05 -3.2738 63.546000 Cu 0.484616 0.723028 2.25133e-17 289 63.546 5.47727e-06 -3.27383 63.546000 Cu 0.546108 0.69603 4.73965e-19 254 63.546 1.20791e-05 -3.27377 63.546000 Cu 0.569206 0.717216 5.92456e-19 255 63.546 5.86567e-06 -3.27398 63.546000 Cu 0.599933 0.703713 0.5 256 63.546 1.67253e-05 -3.27409 63.546000 Cu 0.515375 0.709533 0.5 257 63.546 8.53088e-06 -3.27349 63.546000 Cu 0.653769 0.71141 1.18491e-19 258 63.546 2.32389e-05 -3.27441 63.546000 Cu 0.623043 0.724909 0.5 261 63.546 9.09964e-06 -3.27449 63.546000 Cu 0.538456 0.730713 0.5 291 63.546 2.79388e-06 -3.27399 63.546000 Cu 0.738356 0.705638 5.13067e-17 224 63.546 1.44256e-05 -3.27405 63.546000 Cu 0.684492 0.697918 0.5 226 63.546 4.22624e-05 -3.27426 63.546000 Cu 0.822987 0.699887 5.13067e-17 227 63.546 1.5911e-05 -3.27326 63.546000 Cu 0.792225 0.713357 0.5 230 63.546 6.91067e-06 -3.27394 63.546000 Cu 0.70762 0.71912 0.5 260 63.546 1.52438e-05 -3.27466 63.546000 Cu 0.76148 0.726838 6.55256e-17 262 63.546 4.30037e-06 -3.27474 63.546000 Cu 0.907605 0.69411 0 194 63.546 2.32581e-05 -3.27284 63.546000 Cu 0.961438 0.701795 0.5 200 63.546 5.97533e-06 -3.27335 63.546000 Cu 0.846089 0.72107 1.45033e-16 228 63.546 8.96148e-06 -3.27399 63.546000 Cu 0.876846 0.707591 0.5 229 63.546 1.62883e-05 -3.27316 63.546000 Cu 0.930693 0.715287 2.36982e-19 231 63.546 6.27408e-06 -3.27363 63.546000 Cu 0.984539 0.722984 0.5 233 63.546 1.18535e-06 -3.27415 63.546000 Cu 0.899945 0.728776 0.5 234 63.546 4.38672e-06 -3.27413 63.546000 Cu 0.0615047 0.751877 1.18491e-19 236 63.546 9.25008e-06 -3.27396 63.546000 Cu 0.0922553 0.738393 0.5 237 63.546 7.74124e-06 -3.27425 63.546000 Cu 0.00764817 0.744177 0.5 238 63.546 3.1567e-06 -3.27409 63.546000 Cu 0.146124 0.746106 6.84879e-17 239 63.546 6.31328e-06 -3.27425 63.546000 Cu 0.115368 0.759581 0.5 242 63.546 1.11894e-05 -3.27398 63.546000 Cu 0.0307476 0.76536 0.5 272 63.546 1.06607e-05 -3.27369 63.546000 Cu 0.230746 0.74035 3.55473e-19 206 63.546 1.02984e-06 -3.27447 63.546000 Cu 0.17687 0.732627 0.5 208 63.546 3.60485e-06 -3.2745 63.546000 Cu 0.315372 0.734595 5.13067e-17 209 63.546 7.60512e-06 -3.27441 63.546000 Cu 0.284618 0.748071 0.5 212 63.546 4.71949e-06 -3.27437 63.546000 Cu 0.169239 0.767293 9.3845e-17 240 63.546 6.13703e-06 -3.27412 63.546000 Cu 0.199997 0.753824 0.5 241 63.546 2.33681e-06 -3.27432 63.546000 Cu 0.253868 0.761544 1.18491e-19 243 63.546 3.50073e-06 -3.27436 63.546000 Cu 0.338481 0.755784 3.69692e-17 210 63.546 1.11123e-05 -3.27421 63.546000 Cu 0.369235 0.742305 0.5 211 63.546 1.18525e-05 -3.27413 63.546000 Cu 0.392332 0.763487 0.5 213 63.546 1.15796e-05 -3.27403 63.546000 Cu 0.453848 0.736517 0.5 292 63.546 5.2165e-06 -3.27389 63.546000 Cu 0.423085 0.750002 7.86781e-17 325 63.546 7.15798e-06 -3.27384 63.546000 Cu 0.476926 0.75769 0.5 327 63.546 1.34961e-06 -3.27361 63.546000 Cu 0.507691 0.744204 4.62115e-17 290 63.546 1.10614e-06 -3.27376 63.546000 Cu 0.592297 0.738404 5.13067e-17 293 63.546 6.91133e-06 -3.27425 63.546000 Cu 0.615387 0.759587 6.94358e-17 294 63.546 1.03973e-05 -3.27398 63.546000 Cu 0.646148 0.746105 0.5 295 63.546 8.48197e-06 -3.27454 63.546000 Cu 0.561534 0.751891 0.5 296 63.546 5.63488e-06 -3.27381 63.546000 Cu 0.530766 0.765373 5.13067e-17 328 63.546 6.04896e-06 -3.27348 63.546000 Cu 0.67689 0.732613 1.18491e-19 259 63.546 6.45493e-06 -3.27488 63.546000 Cu 0.784606 0.748045 5.13067e-17 263 63.546 1.67887e-06 -3.27483 63.546000 Cu 0.815343 0.734556 0.5 264 63.546 2.80369e-06 -3.27465 63.546000 Cu 0.730746 0.740328 0.5 265 63.546 9.90538e-07 -3.27499 63.546000 Cu 0.700006 0.753816 1.18491e-19 297 63.546 6.2025e-06 -3.27467 63.546000 Cu 0.753868 0.761532 0.5 299 63.546 6.85445e-06 -3.27464 63.546000 Cu 0.669249 0.767293 0.5 300 63.546 8.99102e-06 -3.27416 63.546000 Cu 0.953796 0.736478 5.13067e-17 232 63.546 2.28658e-07 -3.2742 63.546000 Cu 0.869201 0.742268 5.13067e-17 266 63.546 4.01868e-06 -3.27446 63.546000 Cu 0.892314 0.763465 1.07827e-17 267 63.546 7.01755e-06 -3.2743 63.546000 Cu 0.923052 0.749972 0.5 268 63.546 2.69928e-06 -3.27421 63.546000 Cu 0.838463 0.755759 0.5 269 63.546 5.94e-06 -3.27457 63.546000 Cu 0.9769 0.757668 6.6829e-17 270 63.546 3.30759e-06 -3.27392 63.546000 Cu 0.0846027 0.773054 5.13067e-17 274 63.546 1.9813e-05 -3.27359 63.546000 Cu 0.107688 0.794217 8.57876e-17 275 63.546 4.73693e-05 -3.2734 63.546000 Cu 0.138467 0.780756 0.5 276 63.546 1.73929e-05 -3.27372 63.546000 Cu 0.0538355 0.786529 0.5 277 63.546 3.02e-05 -3.2734 63.546000 Cu 0.161557 0.801921 0.5 281 63.546 3.03883e-05 -3.2737 63.546000 Cu 0.0230771 0.800015 5.13067e-17 309 63.546 2.30898e-05 -3.27349 63.546000 Cu 0.0769117 0.807688 0.5 311 63.546 7.44296e-05 -3.27319 63.546000 Cu 0.307733 0.769261 0.5 245 63.546 1.17952e-05 -3.27438 63.546000 Cu 0.276983 0.782733 6.48147e-17 244 63.546 1.3517e-05 -3.2745 63.546000 Cu 0.223112 0.775011 0.5 246 63.546 3.91499e-06 -3.27431 63.546000 Cu 0.330846 0.79045 0.5 250 63.546 3.00256e-05 -3.27458 63.546000 Cu 0.192342 0.78847 5.13067e-17 278 63.546 6.33717e-06 -3.27403 63.546000 Cu 0.24622 0.796194 0.5 280 63.546 1.04225e-05 -3.27436 63.546000 Cu 0.300097 0.803921 5.13067e-17 282 63.546 3.68163e-05 -3.27452 63.546000 Cu 0.361587 0.77697 9.00533e-18 247 63.546 1.8359e-05 -3.27434 63.546000 Cu 0.384695 0.798157 1.20032e-16 248 63.546 3.72295e-05 -3.2745 63.546000 Cu 0.415429 0.784667 0.5 249 63.546 1.55135e-05 -3.27417 63.546000 Cu 0.446172 0.771177 5.13067e-17 326 63.546 4.50671e-06 -3.27382 63.546000 Cu 0.469258 0.792349 1.3982e-17 363 63.546 6.16367e-06 -3.27383 63.546000 Cu 0.438525 0.805847 0.5 366 63.546 2.51857e-05 -3.2743 63.546000 Cu 0.500006 0.778857 0.5 331 63.546 5.63049e-06 -3.27354 63.546000 Cu 0.553842 0.786535 5.13067e-17 329 63.546 2.75754e-05 -3.27332 63.546000 Cu 0.584614 0.773061 0.5 330 63.546 1.67909e-05 -3.27347 63.546000 Cu 0.638474 0.780759 3.89836e-17 332 63.546 1.65932e-05 -3.27364 63.546000 Cu 0.661558 0.801922 5.62833e-17 333 63.546 3.0136e-05 -3.27364 63.546000 Cu 0.607692 0.79422 0.5 335 63.546 4.66349e-05 -3.27334 63.546000 Cu 0.523081 0.800019 0.5 365 63.546 2.13139e-05 -3.27346 63.546000 Cu 0.576914 0.80769 8.55506e-17 367 63.546 7.41501e-05 -3.27317 63.546000 Cu 0.807727 0.769248 4.46712e-17 301 63.546 1.1958e-05 -3.27457 63.546000 Cu 0.723116 0.775008 5.13067e-17 298 63.546 9.31568e-06 -3.27434 63.546000 Cu 0.830844 0.790445 6.35113e-17 302 63.546 3.16016e-05 -3.27458 63.546000 Cu 0.776983 0.782728 0.5 304 63.546 1.85069e-05 -3.27451 63.546000 Cu 0.692345 0.788471 0.5 334 63.546 7.90576e-06 -3.27396 63.546000 Cu 0.746221 0.796193 1.45863e-16 336 63.546 1.45487e-05 -3.27429 63.546000 Cu 0.800097 0.803919 0.5 338 63.546 4.13683e-05 -3.27447 63.546000 Cu 0.999995 0.778847 5.13067e-17 271 63.546 8.89551e-06 -3.27366 63.546000 Cu 0.946156 0.771161 0.5 273 63.546 4.0992e-06 -3.27401 63.546000 Cu 0.861579 0.776958 0.5 303 63.546 1.51999e-05 -3.27447 63.546000 Cu 0.915421 0.784657 2.36982e-19 305 63.546 1.26024e-05 -3.27425 63.546000 Cu 0.938522 0.805843 5.13067e-17 306 63.546 2.27466e-05 -3.27431 63.546000 Cu 0.969251 0.792342 0.5 307 63.546 6.28204e-06 -3.27388 63.546000 Cu 0.884691 0.798152 0.5 308 63.546 3.52096e-05 -3.2745 63.546000 Cu 0.0461524 0.821177 2.36982e-19 310 63.546 6.41872e-05 -3.27335 63.546000 Cu 0.130764 0.815373 2.36982e-19 313 63.546 0.000100312 -3.2733 63.546000 Cu 0.153836 0.836524 3.3533e-17 314 63.546 0.000199823 -3.27318 63.546000 Cu 0.0999787 0.828839 0.5 316 63.546 0.000182599 -3.27301 63.546000 Cu 0.0154262 0.834691 0.5 346 63.546 2.38975e-05 -3.27382 63.546000 Cu 0.0692211 0.842334 1.63518e-17 348 63.546 0.00014616 -3.27295 63.546000 Cu 0.215439 0.809643 4.30123e-17 279 63.546 7.10134e-06 -3.27416 63.546000 Cu 0.32321 0.82511 0 283 63.546 6.25986e-05 -3.2746 63.546000 Cu 0.269327 0.817375 0.5 285 63.546 1.8524e-05 -3.2744 63.546000 Cu 0.184642 0.823084 0.5 315 63.546 4.51549e-05 -3.27378 63.546000 Cu 0.238534 0.830816 6.44592e-17 317 63.546 9.13817e-06 -3.27426 63.546000 Cu 0.292432 0.838559 0.5 319 63.546 3.01061e-05 -3.27452 63.546000 Cu 0.207731 0.844243 0.5 320 63.546 6.76809e-05 -3.27394 63.546000 Cu 0.35396 0.811641 0.5 284 63.546 6.7042e-05 -3.27466 63.546000 Cu 0.407805 0.819348 3.25851e-17 286 63.546 8.48551e-05 -3.27483 63.546000 Cu 0.377082 0.832837 0.5 287 63.546 0.000133997 -3.27506 63.546000 Cu 0.492342 0.813519 3.09262e-17 364 63.546 1.22306e-05 -3.2739 63.546000 Cu 0.430929 0.840549 0 400 63.546 0.000202745 -3.27528 63.546000 Cu 0.461625 0.827032 0.5 401 63.546 5.35906e-05 -3.27463 63.546000 Cu 0.599979 0.828839 5.13067e-17 368 63.546 0.000183703 -3.27301 63.546000 Cu 0.630764 0.815374 0.5 369 63.546 0.000101395 -3.27328 63.546000 Cu 0.546153 0.821178 0.5 370 63.546 6.36683e-05 -3.27335 63.546000 Cu 0.653836 0.836524 0.5 374 63.546 0.000201342 -3.27318 63.546000 Cu 0.515427 0.834692 2.00369e-16 402 63.546 2.3861e-05 -3.27383 63.546000 Cu 0.569221 0.842334 0.5 404 63.546 0.000146122 -3.27296 63.546000 Cu 0.769327 0.817375 1.06642e-18 337 63.546 2.07484e-05 -3.27435 63.546000 Cu 0.71544 0.809643 0.5 339 63.546 7.60841e-06 -3.2741 63.546000 Cu 0.82321 0.82511 0.5 343 63.546 6.54527e-05 -3.27455 63.546000 Cu 0.684642 0.823084 5.23731e-17 371 63.546 4.53991e-05 -3.27376 63.546000 Cu 0.707731 0.844243 3.94576e-17 372 63.546 6.79081e-05 -3.27393 63.546000 Cu 0.738534 0.830816 0.5 373 63.546 9.40814e-06 -3.27423 63.546000 Cu 0.792432 0.838559 5.46244e-17 375 63.546 3.11593e-05 -3.27449 63.546000 Cu 0.99234 0.813517 0.5 312 63.546 1.20928e-05 -3.2739 63.546000 Cu 0.85396 0.811639 2.36982e-19 340 63.546 6.89826e-05 -3.27463 63.546000 Cu 0.877082 0.832837 2.36982e-19 341 63.546 0.000135602 -3.27502 63.546000 Cu 0.907805 0.819346 0.5 342 63.546 8.37865e-05 -3.2748 63.546000 Cu 0.961624 0.827031 3.55473e-19 344 63.546 5.20116e-05 -3.27461 63.546000 Cu 0.930929 0.840548 0.5 347 63.546 0.000202446 -3.27526 63.546000 Cu 0.0923045 0.863484 2.36982e-19 349 63.546 0.000326949 -3.27234 63.546000 Cu 0.123042 0.849983 0.5 350 63.546 0.000399822 -3.27245 63.546000 Cu 0.0385206 0.855863 0.5 351 63.546 5.42225e-05 -3.2734 63.546000 Cu 0.146122 0.871112 0.5 355 63.546 0.000954564 -3.27108 63.546000 Cu 0.00787759 0.869425 8.29438e-18 383 63.546 0.000222551 -3.27509 63.546000 Cu 0.0616381 0.877037 0.5 385 63.546 0.000122211 -3.27348 63.546000 Cu 0.261646 0.851992 3.55473e-19 318 63.546 1.88855e-05 -3.2746 63.546000 Cu 0.315564 0.859747 0.5 324 63.546 4.25011e-05 -3.27438 63.546000 Cu 0.176917 0.857667 3.55473e-19 352 63.546 0.000392379 -3.27263 63.546000 Cu 0.200028 0.878795 5.13067e-17 353 63.546 0.00090631 -3.2715 63.546000 Cu 0.230845 0.865404 0.5 354 63.546 8.19623e-05 -3.27402 63.546000 Cu 0.284789 0.873173 5.13067e-17 356 63.546 6.57751e-05 -3.27525 63.546000 Cu 0.346332 0.846304 2.7016e-17 321 63.546 8.80268e-05 -3.27478 63.546000 Cu 0.369491 0.867504 5.68757e-17 322 63.546 0.00011222 -3.27433 63.546000 Cu 0.400226 0.854045 0.5 323 63.546 0.000272451 -3.27546 63.546000 Cu 0.338726 0.880936 0.5 358 63.546 2.28645e-05 -3.27398 63.546000 Cu 0.484738 0.848225 0.5 405 63.546 0.000114675 -3.27461 63.546000 Cu 0.454079 0.861762 0 437 63.546 0.000479034 -3.27601 63.546000 Cu 0.477274 0.882999 2.12099e-17 438 63.546 0.00131643 -3.2773 63.546000 Cu 0.423416 0.875268 0.5 440 63.546 0.000651913 -3.27585 63.546000 Cu 0.538521 0.855863 0 403 63.546 5.42276e-05 -3.27341 63.546000 Cu 0.623041 0.849983 1.04746e-16 406 63.546 0.000401068 -3.27246 63.546000 Cu 0.646122 0.871112 2.36982e-19 407 63.546 0.000955485 -3.27108 63.546000 Cu 0.592304 0.863484 0.5 409 63.546 0.000327108 -3.27235 63.546000 Cu 0.507878 0.869425 0.5 439 63.546 0.000222907 -3.27509 63.546000 Cu 0.561638 0.877037 5.50984e-17 441 63.546 0.00012213 -3.27348 63.546000 Cu 0.815564 0.859747 1.2797e-16 376 63.546 4.28593e-05 -3.27436 63.546000 Cu 0.761646 0.851992 0.5 378 63.546 1.89381e-05 -3.27459 63.546000 Cu 0.676917 0.857667 0.5 408 63.546 0.000393482 -3.27264 63.546000 Cu 0.730845 0.865404 6.38667e-17 410 63.546 8.19195e-05 -3.27402 63.546000 Cu 0.784789 0.873173 0.5 412 63.546 6.57599e-05 -3.27525 63.546000 Cu 0.700028 0.878795 0.5 413 63.546 0.000906924 -3.2715 63.546000 Cu 0.846332 0.846304 0.5 377 63.546 8.93997e-05 -3.27475 63.546000 Cu 0.984738 0.848225 3.55473e-19 345 63.546 0.000113908 -3.2746 63.546000 Cu 0.900226 0.854045 1.12567e-17 379 63.546 0.000273419 -3.27543 63.546000 Cu 0.923416 0.875268 7.32275e-17 380 63.546 0.000652289 -3.27585 63.546000 Cu 0.954079 0.861762 0.5 381 63.546 0.000478822 -3.276 63.546000 Cu 0.869491 0.867504 0.5 382 63.546 0.000112661 -3.27431 63.546000 Cu 0.977274 0.882999 0.5 386 63.546 0.00131621 -3.2773 63.546000 Cu 0.838726 0.880936 5.13067e-17 414 63.546 2.29e-05 -3.27397 63.546000 Cu 0.115403 0.884629 1.23231e-17 387 63.546 0.000642174 -3.27231 63.546000 Cu 0.0310346 0.890641 3.55473e-19 384 63.546 0.000454005 -3.27542 63.546000 Cu 0.138438 0.905773 5.13067e-17 388 63.546 0.00102509 -3.27276 63.546000 Cu 0.0847496 0.898214 0.5 390 63.546 0.00022693 -3.2734 63.546000 Cu 0.0541317 0.911865 2.36982e-19 422 63.546 0.00106031 -3.27503 63.546000 Cu 0.107822 0.919382 0.5 424 63.546 0.000542453 -3.27159 63.546000 Cu 0.000498986 0.904281 0.5 420 63.546 0.00438285 -3.28081 63.546000 Cu 0.307968 0.894372 6.0786e-17 357 63.546 0.000512884 -3.2778 63.546000 Cu 0.25401 0.886568 0.5 359 63.546 0.000171323 -3.2754 63.546000 Cu 0.169186 0.892216 0.5 389 63.546 0.00272666 -3.26978 63.546000 Cu 0.223123 0.899901 2.06175e-17 391 63.546 0.00252903 -3.27007 63.546000 Cu 0.246113 0.920936 3.67323e-17 392 63.546 0.00954335 -3.26321 63.546000 Cu 0.277179 0.907745 0.5 393 63.546 0.00137144 -3.27828 63.546000 Cu 0.19211 0.913265 0.5 394 63.546 0.00935455 -3.26392 63.546000 Cu 0.331111 0.915608 4.77519e-17 395 63.546 0.00420077 -3.28228 63.546000 Cu 0.39269 0.888706 6.45777e-17 360 63.546 0.000113964 -3.27337 63.546000 Cu 0.415867 0.909901 3.62583e-17 361 63.546 0.000750819 -3.27046 63.546000 Cu 0.361862 0.902119 0.5 362 63.546 0.000304557 -3.27316 63.546000 Cu 0.446667 0.896513 0.5 472 63.546 0.00176698 -3.27761 63.546000 Cu 0.469924 0.917806 0.5 476 63.546 0.0071872 -3.28032 63.546000 Cu 0.615403 0.884629 0.5 443 63.546 0.000642228 -3.27232 63.546000 Cu 0.500499 0.904281 5.13067e-17 473 63.546 0.00438301 -3.28081 63.546000 Cu 0.58475 0.898214 1.43848e-16 442 63.546 0.000226844 -3.2734 63.546000 Cu 0.531035 0.890641 0.5 444 63.546 0.000454111 -3.27542 63.546000 Cu 0.638438 0.905773 0.5 448 63.546 0.00102507 -3.27276 63.546000 Cu 0.554132 0.911865 0.5 475 63.546 0.00106031 -3.27503 63.546000 Cu 0.607822 0.919382 4.73965e-19 477 63.546 0.000542423 -3.27159 63.546000 Cu 0.75401 0.886568 1.18491e-19 411 63.546 0.000171128 -3.2754 63.546000 Cu 0.807968 0.894372 0.5 417 63.546 0.000512852 -3.2778 63.546000 Cu 0.669186 0.892216 2.93858e-17 445 63.546 0.00272713 -3.26978 63.546000 Cu 0.69211 0.913265 3.55473e-19 446 63.546 0.00935468 -3.26392 63.546000 Cu 0.723123 0.899901 0.5 447 63.546 0.00252929 -3.27007 63.546000 Cu 0.777179 0.907745 0 449 63.546 0.00137125 -3.27828 63.546000 Cu 0.831111 0.915608 0.5 451 63.546 0.00420071 -3.28228 63.546000 Cu 0.746113 0.920936 0.5 452 63.546 0.00954344 -3.26321 63.546000 Cu 0.861862 0.902119 6.28003e-17 415 63.546 0.000304558 -3.27316 63.546000 Cu 0.89269 0.888706 0.5 416 63.546 0.000113994 -3.27336 63.546000 Cu 0.946667 0.896513 2.36982e-19 418 63.546 0.00176703 -3.27761 63.546000 Cu 0.969924 0.917806 1.21335e-16 419 63.546 0.0071872 -3.28032 63.546000 Cu 0.915867 0.909901 0.5 421 63.546 0.000750759 -3.27046 63.546000 Cu 0.0770714 0.933053 0 423 63.546 0.00855137 -3.26279 63.546000 Cu 0.0237002 0.925651 0.5 425 63.546 0.0196651 -3.28579 63.546000 Cu 0.161402 0.926915 5.92456e-18 426 63.546 0.00293268 -3.27347 63.546000 Cu 0.130789 0.940513 0.5 429 63.546 0.00414161 -3.26341 63.546000 Cu 0.01689 0.960794 5.45059e-17 458 63.546 0.236781 -3.27793 63.546000 Cu 0.0468158 0.94722 0.5 459 63.546 0.114332 -3.28621 63.546000 Cu 0.0994095 0.954056 0 461 63.546 0.167815 -3.19009 63.546000 Cu 0.300331 0.92894 0.5 398 63.546 0.0100462 -3.28311 63.546000 Cu 0.184145 0.948151 2.36982e-19 427 63.546 0.0458553 -3.27481 63.546000 Cu 0.214758 0.934172 0.5 428 63.546 0.0431212 -3.24538 63.546000 Cu 0.268957 0.941838 1.82476e-17 430 63.546 0.0435041 -3.2417 63.546000 Cu 0.323657 0.950223 0.5 432 63.546 0.0734461 -3.28272 63.546000 Cu 0.236887 0.954758 0.5 433 63.546 0.299955 -3.17117 63.546000 Cu 0.384823 0.923256 0.5 397 63.546 0.00517624 -3.26579 63.546000 Cu 0.354171 0.936926 3.62583e-17 396 63.546 0.032285 -3.28943 63.546000 Cu 0.407445 0.944248 0.5 399 63.546 0.0641734 -3.23067 63.546000 Cu 0.376851 0.958607 8.32993e-17 434 63.546 0.309624 -3.2789 63.546000 Cu 0.438932 0.931029 1.81291e-17 497 63.546 0.00821139 -3.2589 63.546000 Cu 0.461792 0.952044 3.63768e-17 498 63.546 0.072794 -3.22158 63.546000 Cu 0.493269 0.939169 0.5 499 63.546 0.0341143 -3.28476 63.546000 Cu 0.5237 0.925651 3.55473e-19 474 63.546 0.0196652 -3.28579 63.546000 Cu 0.630789 0.940513 6.56441e-17 478 63.546 0.0041416 -3.26341 63.546000 Cu 0.661402 0.926915 0.5 479 63.546 0.00293266 -3.27347 63.546000 Cu 0.577071 0.933053 0.5 480 63.546 0.00855135 -3.26279 63.546000 Cu 0.546816 0.94722 2.36982e-19 500 63.546 0.114332 -3.28621 63.546000 Cu 0.599409 0.954056 0.5 502 63.546 0.167815 -3.19009 63.546000 Cu 0.51689 0.960794 0.5 503 63.546 0.236781 -3.27793 63.546000 Cu 0.800331 0.92894 1.18491e-19 450 63.546 0.0100461 -3.28311 63.546000 Cu 0.714758 0.934172 5.13067e-17 481 63.546 0.0431211 -3.24538 63.546000 Cu 0.736887 0.954758 4.04055e-17 482 63.546 0.299955 -3.17117 63.546000 Cu 0.768957 0.941838 0.5 483 63.546 0.0435041 -3.2417 63.546000 Cu 0.684145 0.948151 0.5 484 63.546 0.0458553 -3.27481 63.546000 Cu 0.823657 0.950223 1.3034e-18 485 63.546 0.0734461 -3.28272 63.546000 Cu 0.884823 0.923256 8.04555e-17 453 63.546 0.00517626 -3.26579 63.546000 Cu 0.907445 0.944248 0 454 63.546 0.0641734 -3.23067 63.546000 Cu 0.938932 0.931029 0.5 455 63.546 0.00821137 -3.2589 63.546000 Cu 0.854171 0.936926 0.5 456 63.546 0.032285 -3.28943 63.546000 Cu 0.993269 0.939169 4.34862e-17 457 63.546 0.0341143 -3.28477 63.546000 Cu 0.961792 0.952044 0.5 460 63.546 0.072794 -3.22158 63.546000 Cu 0.876851 0.958607 0.5 487 63.546 0.309624 -3.2789 63.546000 Cu 0.0764295 0.996453 0.5 555 63.546 3.39072 -3.32943 63.546000 Cu 0.154038 0.961622 0.5 463 63.546 0.0876718 -3.22081 63.546000 Cu 0.121654 0.974259 0 462 63.546 3.93798 -2.83855 63.546000 Cu 0.0691255 0.969689 0.5 464 63.546 1.38946 -3.24826 63.546000 Cu 0.0394891 0.983544 0 493 63.546 3.84505 -3.43334 63.546000 Cu 0.130206 0.993656 2.36982e-19 496 63.546 9.66159 -2.68518 63.546000 Cu 0.29168 0.962547 1.18491e-19 431 63.546 0.278731 -3.16886 63.546000 Cu 0.206558 0.970029 5.13067e-17 465 63.546 0.950243 -3.25076 63.546000 Cu 0.216523 0.995469 5.13067e-17 466 63.546 4.82101 -3.41685 63.546000 Cu 0.258139 0.97468 0.5 467 63.546 3.29786 -2.86141 63.546000 Cu 0.175756 0.983404 0.5 468 63.546 6.5639 -3.30961 63.546000 Cu 0.30926 0.983533 5.13067e-17 469 63.546 2.24129 -3.12673 63.546000 Cu 0.270499 0.993893 0.5 471 63.546 9.92296 -2.58006 63.546000 Cu 0.396373 0.982072 5.13067e-17 435 63.546 4.18429 -3.38989 63.546000 Cu 0.346844 0.97198 0.5 436 63.546 0.700328 -3.3129 63.546000 Cu 0.35832 0.994517 0.5 470 63.546 3.70994 -3.42398 63.546000 Cu 0.428846 0.964818 0.5 514 63.546 0.862023 -3.0793 63.546000 Cu 0.484246 0.972871 5.13067e-17 515 63.546 0.991826 -3.09834 63.546000 Cu 0.450392 0.984143 0.5 518 63.546 9.86747 -2.62962 63.546000 Cu 0.489361 0.994563 0 516 63.546 2.21567 -3.12249 63.546000 Cu 0.57643 0.996453 5.13067e-17 522 63.546 3.39072 -3.32943 63.546000 Cu 0.654038 0.961622 6.04305e-18 504 63.546 0.0876718 -3.22081 63.546000 Cu 0.569126 0.969689 2.36982e-19 501 63.546 1.38946 -3.24826 63.546000 Cu 0.621654 0.974259 0.5 507 63.546 3.93798 -2.83855 63.546000 Cu 0.539489 0.983544 0.5 517 63.546 3.84505 -3.43334 63.546000 Cu 0.630206 0.993656 0.5 520 63.546 9.66159 -2.68518 63.546000 Cu 0.79168 0.962547 0.5 488 63.546 0.278731 -3.16886 63.546000 Cu 0.675756 0.983404 5.94826e-17 505 63.546 6.5639 -3.30961 63.546000 Cu 0.706558 0.970029 0.5 506 63.546 0.950243 -3.25076 63.546000 Cu 0.758139 0.97468 6.45777e-17 508 63.546 3.29786 -2.86141 63.546000 Cu 0.770499 0.993893 3.83911e-17 509 63.546 9.92296 -2.58006 63.546000 Cu 0.80926 0.983533 0.5 510 63.546 2.24129 -3.12673 63.546000 Cu 0.716523 0.995469 0.5 511 63.546 4.82101 -3.41685 63.546000 Cu 0.989361 0.994563 0.5 495 63.546 2.21567 -3.12249 63.546000 Cu 0.846844 0.97198 8.7328e-17 486 63.546 0.700328 -3.3129 63.546000 Cu 0.928846 0.964818 3.3533e-17 489 63.546 0.862023 -3.0793 63.546000 Cu 0.950392 0.984143 4.58561e-17 490 63.546 9.86747 -2.62962 63.546000 Cu 0.984246 0.972871 0.5 491 63.546 0.991826 -3.09834 63.546000 Cu 0.896373 0.982072 0.5 492 63.546 4.18429 -3.38989 63.546000 Cu 0.85832 0.994517 1.18491e-17 512 63.546 3.70994 -3.42398