Number of particles = 974 A = 1 Angstrom (basic length-scale) H0(1,1) = 28.2024 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 112.943 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.62053 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 0.0830859 0.00460464 1 502 63.546 0.0452657 -3.52572 63.546000 Cu 0.0337803 0.0158114 0.5 503 63.546 0.00889814 -3.53226 63.546000 Cu 0.0744369 0.027743 1 515 63.546 0.029 -3.53611 63.546000 Cu 0.123449 0.0168654 0.5 517 63.546 0.101864 -3.5338 63.546000 Cu 0.163551 0.0299238 1 516 63.546 0.0738531 -3.53913 63.546000 Cu 0.172352 0.00642819 7.5344e-17 519 63.546 0.309883 -3.52205 63.546000 Cu 0.211408 0.0203633 0.5 521 63.546 0.108256 -3.51582 63.546000 Cu 0.260299 0.0125231 1.69614e-16 520 63.546 0.588506 -3.46324 63.546000 Cu 0.310569 0.0031949 0.5 522 63.546 0.482628 -3.50536 63.546000 Cu 0.302043 0.0248386 0.5 543 63.546 0.156564 -3.5217 63.546000 Cu 0.352113 0.0146045 1 545 63.546 0.0330532 -3.53632 63.546000 Cu 0.443216 0.0152823 1.69494e-16 546 63.546 0.00462046 -3.53615 63.546000 Cu 0.401803 0.00386747 0.5 547 63.546 0.0207988 -3.53648 63.546000 Cu 0.39347 0.0261274 0.5 548 63.546 0.00691201 -3.53754 63.546000 Cu 0.492623 0.00420393 0.5 549 63.546 0.0162845 -3.53405 63.546000 Cu 0.484284 0.0268714 0.5 577 63.546 0.00255627 -3.53607 63.546000 Cu 0.53378 0.0158114 1 579 63.546 0.00889814 -3.53226 63.546000 Cu 0.623449 0.0168654 1 580 63.546 0.101864 -3.5338 63.546000 Cu 0.583086 0.00460464 0.5 581 63.546 0.0452657 -3.52572 63.546000 Cu 0.574437 0.027743 0.5 582 63.546 0.029 -3.53611 63.546000 Cu 0.672352 0.00642819 0.5 583 63.546 0.309883 -3.52205 63.546000 Cu 0.663551 0.0299238 0.5 619 63.546 0.0738531 -3.53913 63.546000 Cu 0.711408 0.0203633 1.62906e-16 621 63.546 0.108256 -3.51582 63.546000 Cu 0.760299 0.0125231 0.5 623 63.546 0.588506 -3.46324 63.546000 Cu 0.810569 0.0031949 3.73725e-17 491 63.546 0.482628 -3.50536 63.546000 Cu 0.852113 0.0146045 0.5 493 63.546 0.0330532 -3.53632 63.546000 Cu 0.802043 0.0248386 2.46755e-17 622 63.546 0.156564 -3.5217 63.546000 Cu 0.901803 0.00386747 1 492 63.546 0.0207988 -3.53648 63.546000 Cu 0.89347 0.0261274 7.82188e-17 497 63.546 0.00691201 -3.53754 63.546000 Cu 0.984284 0.0268714 5.61906e-16 498 63.546 0.00255627 -3.53607 63.546000 Cu 0.943216 0.0152823 0.5 499 63.546 0.00462046 -3.53615 63.546000 Cu 0.992623 0.00420393 1.74166e-16 501 63.546 0.0162845 -3.53405 63.546000 Cu 0.0657694 0.0507319 1 512 63.546 0.017412 -3.53951 63.546000 Cu 0.0251162 0.0386556 0.5 513 63.546 0.00734002 -3.53691 63.546000 Cu 0.0165255 0.0614164 0.5 514 63.546 0.00561856 -3.53906 63.546000 Cu 0.114807 0.0401464 0.5 518 63.546 0.0435533 -3.5403 63.546000 Cu 0.15514 0.0529877 1 537 63.546 0.0227692 -3.54059 63.546000 Cu 0.244635 0.0563845 1 538 63.546 0.0239563 -3.53195 63.546000 Cu 0.20371 0.0432628 0.5 539 63.546 0.0179468 -3.53461 63.546000 Cu 0.252522 0.0342163 4.52783e-17 541 63.546 0.0984892 -3.5159 63.546000 Cu 0.343668 0.03666 3.16229e-17 542 63.546 0.0287649 -3.53518 63.546000 Cu 0.293988 0.0467496 0.5 544 63.546 0.0545698 -3.52991 63.546000 Cu 0.335377 0.0588111 1.19784e-19 571 63.546 0.0167082 -3.53611 63.546000 Cu 0.385001 0.0484142 0.5 573 63.546 0.00635955 -3.53761 63.546000 Cu 0.426132 0.0602104 1 572 63.546 0.00162375 -3.53831 63.546000 Cu 0.434656 0.0377515 1.06128e-16 575 63.546 0.0023087 -3.53763 63.546000 Cu 0.475657 0.049497 0.5 578 63.546 0.001781 -3.53783 63.546000 Cu 0.525116 0.0386556 6.65998e-17 576 63.546 0.00734002 -3.53691 63.546000 Cu 0.516525 0.0614164 3.1563e-16 613 63.546 0.00561856 -3.53906 63.546000 Cu 0.565769 0.0507319 0.5 615 63.546 0.017412 -3.53951 63.546000 Cu 0.614807 0.0401464 2.39567e-19 617 63.546 0.0435533 -3.5403 63.546000 Cu 0.70371 0.0432628 9.23533e-17 618 63.546 0.0179468 -3.53461 63.546000 Cu 0.65514 0.0529877 0.5 620 63.546 0.0227692 -3.54059 63.546000 Cu 0.744635 0.0563845 0.5 663 63.546 0.0239563 -3.53195 63.546000 Cu 0.752522 0.0342163 0.5 624 63.546 0.0984892 -3.5159 63.546000 Cu 0.843668 0.03666 0.5 495 63.546 0.0287649 -3.53518 63.546000 Cu 0.835377 0.0588111 0.5 496 63.546 0.0167082 -3.53611 63.546000 Cu 0.793988 0.0467496 1 665 63.546 0.0545698 -3.52991 63.546000 Cu 0.885001 0.0484142 3.16229e-17 494 63.546 0.00635955 -3.53761 63.546000 Cu 0.934656 0.0377515 0.5 500 63.546 0.0023087 -3.53763 63.546000 Cu 0.926132 0.0602104 0.5 509 63.546 0.00162375 -3.53831 63.546000 Cu 0.975657 0.049497 3.26291e-16 511 63.546 0.001781 -3.53783 63.546000 Cu 0.0572532 0.0735831 0 533 63.546 0.0091684 -3.54053 63.546000 Cu 0.106303 0.0631552 0.5 535 63.546 0.0178239 -3.54115 63.546000 Cu 0.0979176 0.0859881 0.5 536 63.546 0.00744112 -3.54119 63.546000 Cu 0.00806885 0.084113 0.5 531 63.546 0.00365849 -3.54007 63.546000 Cu 0.14686 0.0758265 1 534 63.546 0.00752164 -3.54077 63.546000 Cu 0.195687 0.0659389 0.5 540 63.546 0.00484599 -3.53814 63.546000 Cu 0.187596 0.0885379 0.5 565 63.546 0.00152991 -3.53926 63.546000 Cu 0.236625 0.0787131 1.22539e-16 567 63.546 0.00717498 -3.5364 63.546000 Cu 0.327113 0.0810585 2.45317e-16 568 63.546 0.00863139 -3.53741 63.546000 Cu 0.285881 0.0688871 0.5 569 63.546 0.0202175 -3.53464 63.546000 Cu 0.277739 0.0911561 0.5 570 63.546 0.00752794 -3.53717 63.546000 Cu 0.368293 0.0931086 0.5 607 63.546 0.00284667 -3.53863 63.546000 Cu 0.376614 0.070741 0.5 574 63.546 0.00455606 -3.53816 63.546000 Cu 0.41772 0.0826685 1 609 63.546 0.00102508 -3.53889 63.546000 Cu 0.467144 0.0720853 0.5 611 63.546 0.00125472 -3.53903 63.546000 Cu 0.508069 0.084113 2.39567e-19 610 63.546 0.00365849 -3.54007 63.546000 Cu 0.606303 0.0631552 1 614 63.546 0.0178239 -3.54115 63.546000 Cu 0.557253 0.0735831 0.5 616 63.546 0.0091684 -3.54053 63.546000 Cu 0.597918 0.0859881 1 657 63.546 0.00744112 -3.54119 63.546000 Cu 0.687596 0.0885379 1 658 63.546 0.00152991 -3.53926 63.546000 Cu 0.64686 0.0758265 0.5 659 63.546 0.00752164 -3.54077 63.546000 Cu 0.695687 0.0659389 1 661 63.546 0.00484599 -3.53814 63.546000 Cu 0.736625 0.0787131 0.5 664 63.546 0.00717498 -3.5364 63.546000 Cu 0.868293 0.0931086 0 504 63.546 0.00284667 -3.53863 63.546000 Cu 0.827113 0.0810585 0.5 505 63.546 0.00863139 -3.53741 63.546000 Cu 0.785881 0.0688871 1 662 63.546 0.0202175 -3.53464 63.546000 Cu 0.777739 0.0911561 4.71828e-16 705 63.546 0.00752794 -3.53717 63.546000 Cu 0.876614 0.070741 0 507 63.546 0.00455606 -3.53816 63.546000 Cu 0.967144 0.0720853 1.4973e-16 508 63.546 0.00125472 -3.53903 63.546000 Cu 0.91772 0.0826685 0.5 510 63.546 0.00102508 -3.53889 63.546000 Cu 0.0488314 0.0963374 0 530 63.546 0.00441591 -3.54088 63.546000 Cu 0.0404664 0.119023 1 559 63.546 0.00188321 -3.54075 63.546000 Cu 0.0895802 0.108725 0.5 561 63.546 0.00273714 -3.54102 63.546000 Cu 0.130358 0.121186 2.26751e-16 560 63.546 0.00108003 -3.54053 63.546000 Cu 0.138627 0.0985412 9.51083e-17 563 63.546 0.00275849 -3.54073 63.546000 Cu 0.228522 0.101124 1.22659e-16 564 63.546 0.00242908 -3.53828 63.546000 Cu 0.179429 0.111102 0.5 566 63.546 0.000596834 -3.53966 63.546000 Cu 0.220366 0.123577 6.19282e-17 601 63.546 0.00090427 -3.53915 63.546000 Cu 0.269567 0.113524 0.5 603 63.546 0.00338942 -3.53843 63.546000 Cu 0.31889 0.103388 1.92972e-16 605 63.546 0.00448969 -3.53843 63.546000 Cu 0.359996 0.115503 0.5 608 63.546 0.00140713 -3.53889 63.546000 Cu 0.409397 0.105124 2.45197e-16 606 63.546 0.000492716 -3.53894 63.546000 Cu 0.458742 0.0946528 0.5 612 63.546 0.000909667 -3.53949 63.546000 Cu 0.45038 0.117194 0.5 651 63.546 0.000690665 -3.53974 63.546000 Cu 0.499656 0.106763 1 653 63.546 0.00203777 -3.54025 63.546000 Cu 0.58958 0.108725 4.79135e-19 654 63.546 0.00273714 -3.54102 63.546000 Cu 0.548831 0.0963374 0.5 655 63.546 0.00441591 -3.54088 63.546000 Cu 0.540466 0.119023 0.5 656 63.546 0.00188321 -3.54075 63.546000 Cu 0.638627 0.0985412 0.5 660 63.546 0.00275849 -3.54073 63.546000 Cu 0.630358 0.121186 0.5 699 63.546 0.00108003 -3.54053 63.546000 Cu 0.679429 0.111102 1 701 63.546 0.000596834 -3.53966 63.546000 Cu 0.728522 0.101124 0.5 703 63.546 0.00242908 -3.53828 63.546000 Cu 0.720366 0.123577 0.5 704 63.546 0.00090427 -3.53915 63.546000 Cu 0.81889 0.103388 0.5 506 63.546 0.00448969 -3.53843 63.546000 Cu 0.859996 0.115503 3.324e-16 525 63.546 0.00140713 -3.53889 63.546000 Cu 0.769567 0.113524 1.79196e-16 702 63.546 0.00338942 -3.53843 63.546000 Cu 0.95038 0.117194 1.19784e-19 526 63.546 0.000690665 -3.53974 63.546000 Cu 0.909397 0.105124 0.5 527 63.546 0.000492716 -3.53894 63.546000 Cu 0.958742 0.0946528 1.21341e-16 529 63.546 0.000909667 -3.53949 63.546000 Cu 0.999656 0.106763 0.5 532 63.546 0.00203777 -3.54025 63.546000 Cu 0.0321752 0.141659 2.31662e-16 556 63.546 0.000769883 -3.54049 63.546000 Cu 0.0812712 0.13139 0.5 562 63.546 0.000996118 -3.54051 63.546000 Cu 0.0730784 0.153998 0.5 595 63.546 0.000532902 -3.54022 63.546000 Cu 0.122137 0.143788 2.22438e-16 597 63.546 0.000483287 -3.54019 63.546000 Cu 0.212215 0.146062 2.25193e-17 598 63.546 0.000445525 -3.5396 63.546000 Cu 0.171227 0.133653 0.5 599 63.546 0.000253531 -3.54001 63.546000 Cu 0.163121 0.156193 0.5 600 63.546 0.000131553 -3.53989 63.546000 Cu 0.261391 0.135942 0.5 604 63.546 0.00157638 -3.53897 63.546000 Cu 0.310639 0.125771 3.16229e-17 602 63.546 0.00228947 -3.53873 63.546000 Cu 0.30247 0.148197 1.2757e-16 645 63.546 0.00100807 -3.53901 63.546000 Cu 0.351721 0.137932 0.5 647 63.546 0.000616622 -3.5392 63.546000 Cu 0.3928 0.150088 1.22539e-16 646 63.546 0.000162361 -3.53987 63.546000 Cu 0.401065 0.127591 1.40027e-16 649 63.546 0.000245353 -3.53951 63.546000 Cu 0.491286 0.129379 0 650 63.546 0.000925697 -3.54049 63.546000 Cu 0.442063 0.139741 0.5 652 63.546 0.000417545 -3.5403 63.546000 Cu 0.483012 0.151979 2.45437e-16 693 63.546 0.00031499 -3.54044 63.546000 Cu 0.573078 0.153998 1 694 63.546 0.000532902 -3.54022 63.546000 Cu 0.532175 0.141659 0.5 695 63.546 0.000769883 -3.54049 63.546000 Cu 0.581271 0.13139 2.39567e-19 697 63.546 0.000996118 -3.54051 63.546000 Cu 0.622137 0.143788 0.5 700 63.546 0.000483287 -3.54019 63.546000 Cu 0.671227 0.133653 1.23018e-16 698 63.546 0.000253531 -3.54001 63.546000 Cu 0.663121 0.156193 1.75723e-16 741 63.546 0.000131553 -3.53989 63.546000 Cu 0.712215 0.146062 0.5 743 63.546 0.000445525 -3.5396 63.546000 Cu 0.761391 0.135942 4.32419e-17 745 63.546 0.00157638 -3.53897 63.546000 Cu 0.851721 0.137932 1.19784e-19 523 63.546 0.000616622 -3.5392 63.546000 Cu 0.810639 0.125771 0.5 524 63.546 0.00228947 -3.53873 63.546000 Cu 0.80247 0.148197 0.5 746 63.546 0.00100807 -3.53901 63.546000 Cu 0.901065 0.127591 0.5 528 63.546 0.000245353 -3.53951 63.546000 Cu 0.8928 0.150088 0.5 553 63.546 0.000162361 -3.53987 63.546000 Cu 0.942063 0.139741 1 555 63.546 0.000417545 -3.5403 63.546000 Cu 0.991286 0.129379 0.5 557 63.546 0.000925697 -3.54049 63.546000 Cu 0.983012 0.151979 0.5 558 63.546 0.00031499 -3.54044 63.546000 Cu 0.0161517 0.186841 1.57875e-16 590 63.546 0.000144355 -3.54027 63.546000 Cu 0.0239993 0.164258 1 593 63.546 0.000418019 -3.54033 63.546000 Cu 0.114078 0.16636 3.16229e-17 594 63.546 0.000324123 -3.53994 63.546000 Cu 0.0650988 0.176574 0.5 596 63.546 0.000415153 -3.54026 63.546000 Cu 0.155233 0.178724 0.5 639 63.546 0.000157413 -3.53976 63.546000 Cu 0.204185 0.168563 3.16229e-17 641 63.546 0.000424914 -3.53964 63.546000 Cu 0.245429 0.180888 0.5 644 63.546 0.000585446 -3.53966 63.546000 Cu 0.253291 0.158398 0.5 643 63.546 0.000815172 -3.53947 63.546000 Cu 0.29446 0.170661 1.6051e-17 642 63.546 0.000523671 -3.53959 63.546000 Cu 0.343599 0.160395 0.5 648 63.546 0.000250423 -3.53941 63.546000 Cu 0.335747 0.182894 0.5 687 63.546 0.000119621 -3.53986 63.546000 Cu 0.384741 0.172603 1 689 63.546 0.000223445 -3.53992 63.546000 Cu 0.474932 0.174551 1.22778e-16 690 63.546 0.000285406 -3.54037 63.546000 Cu 0.433867 0.162294 0.5 691 63.546 0.000199347 -3.54019 63.546000 Cu 0.425958 0.184853 0.5 692 63.546 9.52813e-05 -3.54017 63.546000 Cu 0.523999 0.164258 0.5 696 63.546 0.000418019 -3.54033 63.546000 Cu 0.516152 0.186841 0.5 735 63.546 0.000144355 -3.54027 63.546000 Cu 0.565099 0.176574 1.22778e-16 737 63.546 0.000415153 -3.54026 63.546000 Cu 0.614078 0.16636 0.5 739 63.546 0.000324123 -3.53994 63.546000 Cu 0.655233 0.178724 2.45317e-16 738 63.546 0.000157413 -3.53976 63.546000 Cu 0.704185 0.168563 0.5 744 63.546 0.000424914 -3.53964 63.546000 Cu 0.745429 0.180888 1.22539e-16 785 63.546 0.000585446 -3.53966 63.546000 Cu 0.753291 0.158398 1.98841e-17 742 63.546 0.000815172 -3.53947 63.546000 Cu 0.835747 0.182894 1.73207e-16 550 63.546 0.000119621 -3.53986 63.546000 Cu 0.843599 0.160395 1.59312e-17 551 63.546 0.000250423 -3.53941 63.546000 Cu 0.79446 0.170661 0.5 786 63.546 0.000523671 -3.53959 63.546000 Cu 0.884741 0.172603 0.5 554 63.546 0.000223445 -3.53992 63.546000 Cu 0.933867 0.162294 2.39567e-19 552 63.546 0.000199347 -3.54019 63.546000 Cu 0.925958 0.184853 1.19784e-19 589 63.546 9.52813e-05 -3.54017 63.546000 Cu 0.974932 0.174551 0.5 591 63.546 0.000285406 -3.54037 63.546000 Cu 0.0986947 0.211469 2.39567e-19 634 63.546 0.000294587 -3.54009 63.546000 Cu 0.0574544 0.199137 0.5 635 63.546 0.000268939 -3.54031 63.546000 Cu 0.106345 0.188913 1 637 63.546 0.000150025 -3.5402 63.546000 Cu 0.00849091 0.209401 2.39567e-19 633 63.546 0.000258224 -3.54014 63.546000 Cu 0.19654 0.191075 1 638 63.546 0.000110504 -3.5397 63.546000 Cu 0.147671 0.201262 0.5 640 63.546 0.000142983 -3.54006 63.546000 Cu 0.18889 0.213597 1 681 63.546 0.000256545 -3.53967 63.546000 Cu 0.237887 0.203394 0.5 683 63.546 0.000322782 -3.53956 63.546000 Cu 0.279103 0.215679 1.58474e-16 682 63.546 0.000258124 -3.53976 63.546000 Cu 0.286796 0.19316 2.55139e-17 685 63.546 0.000174879 -3.5398 63.546000 Cu 0.328123 0.205428 0.5 688 63.546 0.000216899 -3.54013 63.546000 Cu 0.369276 0.217704 0 729 63.546 0.000207242 -3.54023 63.546000 Cu 0.377068 0.19514 1 686 63.546 6.46841e-05 -3.54025 63.546000 Cu 0.418306 0.207418 0.5 731 63.546 0.00015308 -3.54022 63.546000 Cu 0.467259 0.197117 0 733 63.546 8.59572e-05 -3.54016 63.546000 Cu 0.508491 0.209401 0.5 736 63.546 0.000258224 -3.54014 63.546000 Cu 0.557454 0.199137 3.16229e-17 734 63.546 0.000268939 -3.54031 63.546000 Cu 0.606345 0.188913 0.5 740 63.546 0.000150025 -3.5402 63.546000 Cu 0.598695 0.211469 0.5 779 63.546 0.000294587 -3.54009 63.546000 Cu 0.647671 0.201262 1 781 63.546 0.000142983 -3.54006 63.546000 Cu 0.737887 0.203394 1.22659e-16 782 63.546 0.000322782 -3.53956 63.546000 Cu 0.69654 0.191075 0.5 783 63.546 0.000110504 -3.5397 63.546000 Cu 0.68889 0.213597 0.5 784 63.546 0.000256545 -3.53967 63.546000 Cu 0.828123 0.205428 1.07805e-16 585 63.546 0.000216899 -3.54013 63.546000 Cu 0.869276 0.217704 0.5 588 63.546 0.000207242 -3.54023 63.546000 Cu 0.786796 0.19316 0.5 787 63.546 0.000174879 -3.5398 63.546000 Cu 0.779103 0.215679 0.5 826 63.546 0.000258124 -3.53976 63.546000 Cu 0.877068 0.19514 0.5 587 63.546 6.46841e-05 -3.54025 63.546000 Cu 0.918306 0.207418 1 586 63.546 0.00015308 -3.54022 63.546000 Cu 0.967259 0.197117 0.5 592 63.546 8.59572e-05 -3.54016 63.546000 Cu 0.0495987 0.221691 0.5 636 63.546 0.000274422 -3.54001 63.546000 Cu 0.0413731 0.244234 0.5 675 63.546 0.00011564 -3.53992 63.546000 Cu 0.0905974 0.233994 1.36673e-16 677 63.546 0.000131708 -3.53981 63.546000 Cu 0.000442562 0.231955 1.12956e-16 630 63.546 0.000138426 -3.54012 63.546000 Cu 0.139774 0.223785 0.5 679 63.546 0.00012173 -3.53977 63.546000 Cu 0.131545 0.2463 0.5 680 63.546 4.52377e-05 -3.53984 63.546000 Cu 0.180805 0.236108 0 678 63.546 6.10715e-05 -3.53989 63.546000 Cu 0.229982 0.225904 0.5 684 63.546 0.000138133 -3.53974 63.546000 Cu 0.22176 0.248415 0.5 723 63.546 1.53041e-05 -3.53972 63.546000 Cu 0.270999 0.238208 1 725 63.546 0.00010219 -3.53968 63.546000 Cu 0.361086 0.240268 1.19784e-19 726 63.546 0.000158403 -3.54001 63.546000 Cu 0.320152 0.227974 0.5 727 63.546 0.000168649 -3.53998 63.546000 Cu 0.459424 0.219681 2.36932e-16 730 63.546 0.000152228 -3.54007 63.546000 Cu 0.410285 0.229981 0.5 732 63.546 7.91028e-05 -3.54023 63.546000 Cu 0.451233 0.242247 2.8269e-17 773 63.546 5.53425e-06 -3.5401 63.546000 Cu 0.500443 0.231955 0.5 775 63.546 0.000138426 -3.54012 63.546000 Cu 0.541373 0.244234 1 774 63.546 0.00011564 -3.53992 63.546000 Cu 0.549599 0.221691 3.16229e-17 777 63.546 0.000274422 -3.54001 63.546000 Cu 0.590597 0.233994 0.5 780 63.546 0.000131708 -3.53981 63.546000 Cu 0.639774 0.223785 0 778 63.546 0.00012173 -3.53977 63.546000 Cu 0.631545 0.2463 1 821 63.546 4.52377e-05 -3.53984 63.546000 Cu 0.72176 0.248415 2.15611e-17 822 63.546 1.53041e-05 -3.53972 63.546000 Cu 0.680805 0.236108 0.5 823 63.546 6.10715e-05 -3.53989 63.546000 Cu 0.729982 0.225904 2.97782e-16 825 63.546 0.000138133 -3.53974 63.546000 Cu 0.820152 0.227974 1 584 63.546 0.000168649 -3.53998 63.546000 Cu 0.861086 0.240268 0.5 627 63.546 0.000158403 -3.54001 63.546000 Cu 0.770999 0.238208 0.5 827 63.546 0.00010219 -3.53968 63.546000 Cu 0.910285 0.229981 5.9293e-17 629 63.546 7.91028e-05 -3.54023 63.546000 Cu 0.959424 0.219681 0.5 631 63.546 0.000152228 -3.54007 63.546000 Cu 0.951233 0.242247 0.5 632 63.546 5.53425e-06 -3.5401 63.546000 Cu 0.0823161 0.256511 3.70132e-17 674 63.546 0.000234354 -3.53994 63.546000 Cu 0.0331162 0.266779 0.5 676 63.546 9.33699e-05 -3.54015 63.546000 Cu 0.0741364 0.279039 1 717 63.546 0.00022814 -3.54003 63.546000 Cu 0.123322 0.268806 0.5 719 63.546 0.000123584 -3.53974 63.546000 Cu 0.164343 0.281099 6.44437e-17 718 63.546 0.000118619 -3.53939 63.546000 Cu 0.172531 0.258611 2.81492e-17 721 63.546 1.58703e-05 -3.53966 63.546000 Cu 0.213539 0.270913 0.5 724 63.546 3.98849e-05 -3.53954 63.546000 Cu 0.262723 0.260727 1.19784e-19 722 63.546 4.71026e-05 -3.53982 63.546000 Cu 0.311911 0.250509 0.5 728 63.546 7.31983e-05 -3.53987 63.546000 Cu 0.303705 0.273053 0.5 767 63.546 0.000133811 -3.54011 63.546000 Cu 0.352848 0.262827 1.22539e-16 769 63.546 0.000299382 -3.54016 63.546000 Cu 0.442981 0.264812 5.62984e-17 770 63.546 1.87665e-05 -3.54022 63.546000 Cu 0.402024 0.252541 0.5 771 63.546 6.12002e-05 -3.54014 63.546000 Cu 0.393826 0.275111 0.5 772 63.546 0.000137401 -3.54011 63.546000 Cu 0.492155 0.254509 0.5 776 63.546 5.20132e-05 -3.5401 63.546000 Cu 0.483968 0.277076 0.5 815 63.546 1.51341e-05 -3.54021 63.546000 Cu 0.533116 0.266779 3.16229e-17 817 63.546 9.33699e-05 -3.54015 63.546000 Cu 0.623322 0.268806 1 818 63.546 0.000123584 -3.53974 63.546000 Cu 0.582316 0.256511 0.5 819 63.546 0.000234354 -3.53994 63.546000 Cu 0.574136 0.279039 0.5 820 63.546 0.00022814 -3.54003 63.546000 Cu 0.672531 0.258611 0.5 824 63.546 1.58703e-05 -3.53966 63.546000 Cu 0.664343 0.281099 0.5 863 63.546 0.000118619 -3.53939 63.546000 Cu 0.713539 0.270913 2.39567e-19 865 63.546 3.98849e-05 -3.53954 63.546000 Cu 0.762723 0.260727 0.5 867 63.546 4.71026e-05 -3.53982 63.546000 Cu 0.811911 0.250509 9.59468e-17 625 63.546 7.31983e-05 -3.53987 63.546000 Cu 0.852848 0.262827 0.5 628 63.546 0.000299382 -3.54016 63.546000 Cu 0.803705 0.273053 1 866 63.546 0.000133811 -3.54011 63.546000 Cu 0.902024 0.252541 5.79753e-17 626 63.546 6.12002e-05 -3.54014 63.546000 Cu 0.893826 0.275111 2.45197e-16 669 63.546 0.000137401 -3.54011 63.546000 Cu 0.983968 0.277076 2.87481e-18 670 63.546 1.51341e-05 -3.54021 63.546000 Cu 0.942981 0.264812 0.5 671 63.546 1.87665e-05 -3.54022 63.546000 Cu 0.992155 0.254509 9.17543e-17 673 63.546 5.20132e-05 -3.5401 63.546000 Cu 0.066013 0.301582 2.01237e-17 714 63.546 0.00024003 -3.53995 63.546000 Cu 0.0249677 0.289334 0.5 715 63.546 6.16397e-05 -3.54019 63.546000 Cu 0.0169503 0.311902 0.5 716 63.546 0.000139497 -3.54014 63.546000 Cu 0.115169 0.291309 0.5 720 63.546 0.000323718 -3.53968 63.546000 Cu 0.156265 0.303579 2.14054e-16 761 63.546 0.000583612 -3.53937 63.546000 Cu 0.246504 0.305745 1.93571e-16 762 63.546 0.000171175 -3.53942 63.546000 Cu 0.205408 0.293405 0.5 763 63.546 0.000186646 -3.53939 63.546000 Cu 0.254554 0.283241 0 765 63.546 4.90588e-05 -3.53984 63.546000 Cu 0.34472 0.285384 1 766 63.546 0.000349091 -3.54016 63.546000 Cu 0.295578 0.295597 0.5 768 63.546 0.000302497 -3.53994 63.546000 Cu 0.336673 0.307946 1.2194e-16 809 63.546 0.000571866 -3.54017 63.546000 Cu 0.385733 0.297689 0.5 811 63.546 0.000279281 -3.54029 63.546000 Cu 0.426784 0.309993 8.68432e-17 810 63.546 0.000424516 -3.5405 63.546000 Cu 0.43483 0.287391 1.42183e-16 813 63.546 8.25087e-05 -3.54025 63.546000 Cu 0.475834 0.299658 0.5 816 63.546 0.000121303 -3.54031 63.546000 Cu 0.524968 0.289334 1 814 63.546 6.16397e-05 -3.54019 63.546000 Cu 0.51695 0.311902 1 857 63.546 0.000139497 -3.54014 63.546000 Cu 0.566013 0.301582 0.5 859 63.546 0.00024003 -3.53995 63.546000 Cu 0.615169 0.291309 2.39567e-19 861 63.546 0.000323718 -3.53968 63.546000 Cu 0.705408 0.293405 1 862 63.546 0.000186646 -3.53939 63.546000 Cu 0.656265 0.303579 0.5 864 63.546 0.000583612 -3.53937 63.546000 Cu 0.746504 0.305745 0.5 905 63.546 0.000171175 -3.53942 63.546000 Cu 0.754554 0.283241 0.5 868 63.546 4.90588e-05 -3.53984 63.546000 Cu 0.84472 0.285384 0.5 667 63.546 0.000349091 -3.54016 63.546000 Cu 0.836673 0.307946 0.5 668 63.546 0.000571866 -3.54017 63.546000 Cu 0.795578 0.295597 2.39567e-19 907 63.546 0.000302497 -3.53994 63.546000 Cu 0.885733 0.297689 1.42902e-16 666 63.546 0.000279281 -3.54029 63.546000 Cu 0.93483 0.287391 0.5 672 63.546 8.25087e-05 -3.54025 63.546000 Cu 0.926784 0.309993 0.5 711 63.546 0.000424516 -3.5405 63.546000 Cu 0.975834 0.299658 1 713 63.546 0.000121303 -3.54031 63.546000 Cu 0.0581627 0.324114 1 757 63.546 0.000346196 -3.53992 63.546000 Cu 0.107187 0.313812 0.5 759 63.546 0.00060298 -3.53959 63.546000 Cu 0.099549 0.336311 0.5 760 63.546 0.000810933 -3.53959 63.546000 Cu 0.00920783 0.334475 0.5 755 63.546 0.000265837 -3.54024 63.546000 Cu 0.148492 0.326057 4.71349e-16 758 63.546 0.00114805 -3.53927 63.546000 Cu 0.197479 0.315886 0.5 764 63.546 0.000571558 -3.5392 63.546000 Cu 0.189927 0.338354 0.5 803 63.546 0.00126342 -3.53886 63.546000 Cu 0.238787 0.328243 3.85704e-17 805 63.546 0.000392054 -3.53931 63.546000 Cu 0.328967 0.330525 2.39567e-19 806 63.546 0.000769324 -3.54011 63.546000 Cu 0.287694 0.318126 0.5 807 63.546 0.000338103 -3.53971 63.546000 Cu 0.280224 0.340668 0.5 808 63.546 0.000321614 -3.53956 63.546000 Cu 0.370262 0.342927 0.5 851 63.546 0.00160505 -3.54051 63.546000 Cu 0.377833 0.320292 0.5 812 63.546 0.000755278 -3.54054 63.546000 Cu 0.419054 0.33262 1.03972e-16 853 63.546 0.00102682 -3.54058 63.546000 Cu 0.467921 0.322258 0.5 855 63.546 0.000415899 -3.54034 63.546000 Cu 0.509208 0.334475 1 854 63.546 0.000265837 -3.54024 63.546000 Cu 0.607187 0.313812 1 858 63.546 0.00060298 -3.53959 63.546000 Cu 0.558163 0.324114 0.5 860 63.546 0.000346196 -3.53992 63.546000 Cu 0.599549 0.336311 6.22875e-18 899 63.546 0.000810933 -3.53959 63.546000 Cu 0.689927 0.338354 1 900 63.546 0.00126342 -3.53886 63.546000 Cu 0.648492 0.326057 0.5 901 63.546 0.00114805 -3.53927 63.546000 Cu 0.697479 0.315886 1 903 63.546 0.000571558 -3.5392 63.546000 Cu 0.738787 0.328243 0.5 906 63.546 0.000392054 -3.53931 63.546000 Cu 0.870262 0.342927 1.29846e-16 706 63.546 0.00160505 -3.54051 63.546000 Cu 0.828967 0.330525 0.5 707 63.546 0.000769324 -3.54011 63.546000 Cu 0.787694 0.318126 2.3286e-16 904 63.546 0.000338103 -3.53971 63.546000 Cu 0.780224 0.340668 3.16229e-17 937 63.546 0.000321614 -3.53956 63.546000 Cu 0.877833 0.320292 1 709 63.546 0.000755278 -3.54054 63.546000 Cu 0.967921 0.322258 3.22218e-17 710 63.546 0.000415899 -3.54034 63.546000 Cu 0.919054 0.33262 0.5 712 63.546 0.00102682 -3.54058 63.546000 Cu 0.0506617 0.346645 1 754 63.546 0.000344305 -3.53997 63.546000 Cu 0.0432516 0.369162 5.8694e-17 797 63.546 0.000602756 -3.53985 63.546000 Cu 0.0921719 0.358785 0.5 799 63.546 0.00130818 -3.53925 63.546000 Cu 0.00176064 0.357059 0.5 756 63.546 0.000324459 -3.54021 63.546000 Cu 0.133774 0.370926 1.19784e-19 798 63.546 0.00446079 -3.53831 63.546000 Cu 0.141071 0.348514 3.06047e-16 801 63.546 0.0020701 -3.53878 63.546000 Cu 0.231454 0.350735 3.97682e-17 802 63.546 0.000815547 -3.53891 63.546000 Cu 0.182647 0.36079 0.5 804 63.546 0.00323598 -3.53807 63.546000 Cu 0.224235 0.37321 1 845 63.546 0.00219707 -3.53778 63.546000 Cu 0.272922 0.363232 0.5 847 63.546 0.000644045 -3.53948 63.546000 Cu 0.321572 0.353132 0 849 63.546 0.00113498 -3.54006 63.546000 Cu 0.362887 0.365598 0.5 852 63.546 0.00318723 -3.54064 63.546000 Cu 0.411588 0.35528 2.39567e-19 850 63.546 0.00227252 -3.54075 63.546000 Cu 0.460358 0.344877 0.5 856 63.546 0.000659732 -3.54052 63.546000 Cu 0.452953 0.36752 0.5 893 63.546 0.00138695 -3.5405 63.546000 Cu 0.501761 0.357059 1 895 63.546 0.000324459 -3.54021 63.546000 Cu 0.592172 0.358785 1.19784e-19 896 63.546 0.00130818 -3.53925 63.546000 Cu 0.550662 0.346645 0.5 897 63.546 0.000344305 -3.53997 63.546000 Cu 0.543252 0.369162 0.5 898 63.546 0.000602756 -3.53985 63.546000 Cu 0.641071 0.348514 0.5 902 63.546 0.0020701 -3.53878 63.546000 Cu 0.633774 0.370926 0.5 931 63.546 0.00446079 -3.53831 63.546000 Cu 0.682647 0.36079 1.70572e-16 933 63.546 0.00323598 -3.53807 63.546000 Cu 0.731454 0.350735 0.5 935 63.546 0.000815547 -3.53891 63.546000 Cu 0.724235 0.37321 0.5 936 63.546 0.00219707 -3.53778 63.546000 Cu 0.821572 0.353132 0.5 708 63.546 0.00113498 -3.54006 63.546000 Cu 0.862887 0.365598 1 749 63.546 0.00318723 -3.54064 63.546000 Cu 0.772922 0.363232 3.16229e-17 934 63.546 0.000644045 -3.53948 63.546000 Cu 0.952953 0.36752 1 750 63.546 0.00138695 -3.5405 63.546000 Cu 0.911588 0.35528 0.5 751 63.546 0.00227252 -3.54075 63.546000 Cu 0.960358 0.344877 1.1631e-16 753 63.546 0.000659732 -3.54052 63.546000 Cu 0.0357631 0.391671 3.16229e-17 794 63.546 0.000994539 -3.53956 63.546000 Cu 0.0848225 0.381226 0.5 800 63.546 0.00236052 -3.53908 63.546000 Cu 0.0772571 0.403617 0.5 839 63.546 0.00420194 -3.53837 63.546000 Cu 0.126389 0.393284 1 841 63.546 0.0088205 -3.5375 63.546000 Cu 0.216969 0.39564 1.19784e-19 842 63.546 0.00653918 -3.53558 63.546000 Cu 0.175435 0.383169 0.5 843 63.546 0.00855701 -3.53688 63.546000 Cu 0.168043 0.40546 0.5 844 63.546 0.0212589 -3.53451 63.546000 Cu 0.265624 0.385811 0.5 848 63.546 0.00158952 -3.53888 63.546000 Cu 0.314278 0.375789 1 846 63.546 0.00282882 -3.54044 63.546000 Cu 0.306818 0.398514 3.59351e-19 887 63.546 0.00791057 -3.54058 63.546000 Cu 0.355451 0.388331 0.5 889 63.546 0.00699824 -3.54104 63.546000 Cu 0.396515 0.400736 1 888 63.546 0.00857951 -3.5408 63.546000 Cu 0.404158 0.377979 3.59351e-19 891 63.546 0.00456233 -3.54078 63.546000 Cu 0.494337 0.37965 4.432e-18 892 63.546 0.000619352 -3.54008 63.546000 Cu 0.445436 0.390194 0.5 894 63.546 0.0027698 -3.54031 63.546000 Cu 0.486681 0.402247 1.94169e-16 925 63.546 0.0012373 -3.53962 63.546000 Cu 0.577257 0.403617 2.40406e-16 926 63.546 0.00420194 -3.53837 63.546000 Cu 0.535763 0.391671 0.5 927 63.546 0.000994539 -3.53956 63.546000 Cu 0.584823 0.381226 1 929 63.546 0.00236052 -3.53908 63.546000 Cu 0.626389 0.393284 0.5 932 63.546 0.0088205 -3.5375 63.546000 Cu 0.675435 0.383169 1 930 63.546 0.00855701 -3.53688 63.546000 Cu 0.668043 0.40546 1.22539e-16 955 63.546 0.0212589 -3.53451 63.546000 Cu 0.716969 0.39564 0.5 957 63.546 0.00653918 -3.53558 63.546000 Cu 0.765624 0.385811 1 959 63.546 0.00158952 -3.53888 63.546000 Cu 0.855451 0.388331 1 747 63.546 0.00699824 -3.54104 63.546000 Cu 0.814278 0.375789 0.5 748 63.546 0.00282882 -3.54044 63.546000 Cu 0.806818 0.398514 0.5 960 63.546 0.00791057 -3.54058 63.546000 Cu 0.904158 0.377979 0.5 752 63.546 0.00456233 -3.54078 63.546000 Cu 0.896515 0.400736 0.5 791 63.546 0.00857951 -3.5408 63.546000 Cu 0.945436 0.390194 2.42682e-16 793 63.546 0.0027698 -3.54031 63.546000 Cu 0.994337 0.37965 0.5 795 63.546 0.000619352 -3.54008 63.546000 Cu 0.986681 0.402247 0.5 796 63.546 0.0012373 -3.53962 63.546000 Cu 0.0198021 0.436613 1 834 63.546 0.00224179 -3.53773 63.546000 Cu 0.0279368 0.414154 1 837 63.546 0.00156576 -3.53876 63.546000 Cu 0.118733 0.415544 0 838 63.546 0.017072 -3.53627 63.546000 Cu 0.0692952 0.425946 0.5 840 63.546 0.00610808 -3.53768 63.546000 Cu 0.160341 0.427597 0.5 881 63.546 0.055821 -3.52981 63.546000 Cu 0.20955 0.417974 3.16229e-17 883 63.546 0.023064 -3.53098 63.546000 Cu 0.258242 0.408412 0.5 885 63.546 0.00483704 -3.53745 63.546000 Cu 0.250686 0.431089 0.5 886 63.546 0.0192816 -3.53406 63.546000 Cu 0.299092 0.421348 1 884 63.546 0.0223736 -3.54054 63.546000 Cu 0.347722 0.411171 0.5 890 63.546 0.0170663 -3.54113 63.546000 Cu 0.339666 0.43417 0.5 919 63.546 0.0406734 -3.54043 63.546000 Cu 0.388514 0.423592 1 921 63.546 0.0161269 -3.53973 63.546000 Cu 0.478629 0.424859 9.22335e-18 922 63.546 0.00207681 -3.53841 63.546000 Cu 0.437582 0.412907 0.5 923 63.546 0.00464892 -3.53956 63.546000 Cu 0.429358 0.435677 0.5 924 63.546 0.00676577 -3.5376 63.546000 Cu 0.527937 0.414154 0.5 928 63.546 0.00156576 -3.53876 63.546000 Cu 0.519802 0.436613 0.5 949 63.546 0.00224179 -3.53773 63.546000 Cu 0.569295 0.425946 0 951 63.546 0.00610808 -3.53768 63.546000 Cu 0.618733 0.415544 0.5 953 63.546 0.017072 -3.53627 63.546000 Cu 0.660341 0.427597 1.64703e-16 952 63.546 0.055821 -3.52981 63.546000 Cu 0.70955 0.417974 0.5 958 63.546 0.023064 -3.53098 63.546000 Cu 0.758242 0.408412 1 956 63.546 0.00483704 -3.53745 63.546000 Cu 0.750686 0.431089 1 972 63.546 0.0192816 -3.53406 63.546000 Cu 0.839666 0.43417 2.29386e-16 788 63.546 0.0406734 -3.54043 63.546000 Cu 0.847722 0.411171 3.73725e-17 789 63.546 0.0170663 -3.54113 63.546000 Cu 0.799092 0.421348 0.5 973 63.546 0.0223736 -3.54054 63.546000 Cu 0.888514 0.423592 0.5 792 63.546 0.0161269 -3.53973 63.546000 Cu 0.937582 0.412907 1 790 63.546 0.00464892 -3.53956 63.546000 Cu 0.929358 0.435677 1 833 63.546 0.00676577 -3.5376 63.546000 Cu 0.978629 0.424859 0.5 835 63.546 0.00207681 -3.53841 63.546000 Cu 0.102495 0.459738 3.16229e-17 876 63.546 0.0329437 -3.53579 63.546000 Cu 0.06107 0.448226 0.5 877 63.546 0.00681359 -3.53754 63.546000 Cu 0.110787 0.437697 1 879 63.546 0.0278604 -3.53507 63.546000 Cu 0.0113663 0.459065 1.19784e-19 875 63.546 0.0040313 -3.53607 63.546000 Cu 0.201984 0.440115 1.22539e-16 880 63.546 0.100454 -3.51567 63.546000 Cu 0.152469 0.449504 0.5 882 63.546 0.155616 -3.52126 63.546000 Cu 0.194282 0.461813 1 913 63.546 0.570237 -3.4629 63.546000 Cu 0.243164 0.453963 0.5 915 63.546 0.107402 -3.51681 63.546000 Cu 0.282291 0.46785 2.39567e-19 914 63.546 0.300923 -3.52306 63.546000 Cu 0.291012 0.444397 1.0517e-16 917 63.546 0.0731158 -3.53951 63.546000 Cu 0.33119 0.457427 0.5 920 63.546 0.0964033 -3.53442 63.546000 Cu 0.380129 0.446574 1 918 63.546 0.0273362 -3.53651 63.546000 Cu 0.420865 0.458508 0.5 945 63.546 0.00812973 -3.53282 63.546000 Cu 0.470275 0.44749 4.1565e-17 947 63.546 0.00279036 -3.53631 63.546000 Cu 0.511366 0.459065 0.5 950 63.546 0.0040313 -3.53607 63.546000 Cu 0.56107 0.448226 1 948 63.546 0.00681359 -3.53754 63.546000 Cu 0.610787 0.437697 0.5 954 63.546 0.0278604 -3.53507 63.546000 Cu 0.602495 0.459738 0.5 966 63.546 0.0329437 -3.53579 63.546000 Cu 0.652469 0.449504 1 968 63.546 0.155616 -3.52126 63.546000 Cu 0.743164 0.453963 1 969 63.546 0.107402 -3.51681 63.546000 Cu 0.701984 0.440115 0.5 970 63.546 0.100454 -3.51567 63.546000 Cu 0.694282 0.461813 0.5 971 63.546 0.570237 -3.4629 63.546000 Cu 0.782291 0.46785 0.5 15 63.546 0.300923 -3.52306 63.546000 Cu 0.83119 0.457427 1 829 63.546 0.0964033 -3.53442 63.546000 Cu 0.791012 0.444397 0.5 974 63.546 0.0731158 -3.53951 63.546000 Cu 0.880129 0.446574 0.5 831 63.546 0.0273362 -3.53651 63.546000 Cu 0.920865 0.458508 1 830 63.546 0.00812973 -3.53282 63.546000 Cu 0.970275 0.44749 0.5 836 63.546 0.00279036 -3.53631 63.546000 Cu 0.0527596 0.470484 0.5 878 63.546 0.0194835 -3.53646 63.546000 Cu 0.0483793 0.492814 0.5 908 63.546 0.0675994 -3.54201 63.546000 Cu 0.0947737 0.481766 3.67856e-16 909 63.546 0.0804244 -3.53698 63.546000 Cu 0.00415988 0.481554 1 872 63.546 0.0510168 -3.53827 63.546000 Cu 0.144081 0.47112 0.5 911 63.546 0.481071 -3.50475 63.546000 Cu 0.139502 0.492828 0.5 912 63.546 3.08242 -3.47244 63.546000 Cu 0.184801 0.482673 1.78837e-16 910 63.546 7.15375 -3.25851 63.546000 Cu 0.23598 0.477494 0.5 916 63.546 5.38438 -3.42 63.546000 Cu 0.371568 0.469689 9.15148e-17 943 63.546 0.0427737 -3.52631 63.546000 Cu 0.270818 0.492808 1.29366e-17 939 63.546 4.29253 -3.5414 63.546000 Cu 0.365447 0.49279 1.53084e-16 940 63.546 0.191589 -3.52444 63.546000 Cu 0.32266 0.481071 0.5 941 63.546 0.285035 -3.503 63.546000 Cu 0.461997 0.470137 2.15491e-16 944 63.546 0.0149444 -3.5341 63.546000 Cu 0.413321 0.481391 0.5 946 63.546 0.0534227 -3.53342 63.546000 Cu 0.457317 0.492803 1 961 63.546 0.0847606 -3.54097 63.546000 Cu 0.50416 0.481554 0.5 963 63.546 0.0510168 -3.53827 63.546000 Cu 0.548379 0.492814 1 962 63.546 0.0675994 -3.54201 63.546000 Cu 0.55276 0.470484 1 964 63.546 0.0194835 -3.53646 63.546000 Cu 0.594774 0.481766 0.5 967 63.546 0.0804244 -3.53698 63.546000 Cu 0.639502 0.492828 1 490 63.546 3.08242 -3.47244 63.546000 Cu 0.644081 0.47112 1 965 63.546 0.481071 -3.50475 63.546000 Cu 0.73598 0.477494 1 60 63.546 5.38438 -3.42 63.546000 Cu 0.684801 0.482673 0.5 94 63.546 7.15375 -3.25851 63.546000 Cu 0.871568 0.469689 0.5 832 63.546 0.0427737 -3.52631 63.546000 Cu 0.770818 0.492808 0.5 13 63.546 4.29253 -3.5414 63.546000 Cu 0.82266 0.481071 1 828 63.546 0.285035 -3.503 63.546000 Cu 0.865447 0.49279 0.5 870 63.546 0.191589 -3.52444 63.546000 Cu 0.913321 0.481391 1.13315e-16 871 63.546 0.0534227 -3.53342 63.546000 Cu 0.961997 0.470137 0.5 873 63.546 0.0149444 -3.5341 63.546000 Cu 0.957317 0.492803 0.5 874 63.546 0.0847606 -3.54097 63.546000 Cu 0.0944343 0.503872 0 1 63.546 0.0889365 -3.53682 63.546000 Cu 0.00385269 0.504056 1 4 63.546 0.0576225 -3.53872 63.546000 Cu 0.0108742 0.526548 1.22659e-16 5 63.546 0.00556471 -3.53574 63.546000 Cu 0.0522917 0.515156 0.5 6 63.546 0.0239727 -3.53659 63.546000 Cu 0.101972 0.52591 1 8 63.546 0.0343254 -3.53586 63.546000 Cu 0.235599 0.508087 0.5 938 63.546 5.3948 -3.41956 63.546000 Cu 0.143551 0.514545 0.5 2 63.546 0.50328 -3.50401 63.546000 Cu 0.184266 0.503045 1.85545e-16 92 63.546 7.14512 -3.25352 63.546000 Cu 0.1938 0.523866 1 93 63.546 0.608515 -3.46032 63.546000 Cu 0.281789 0.517747 2.84007e-16 95 63.546 0.305593 -3.52304 63.546000 Cu 0.330734 0.528156 0.5 97 63.546 0.100908 -3.53399 63.546000 Cu 0.322259 0.504492 0.5 942 63.546 0.301401 -3.50341 63.546000 Cu 0.37108 0.515893 0 58 63.546 0.0482011 -3.52645 63.546000 Cu 0.412981 0.504192 0.5 59 63.546 0.0622728 -3.53398 63.546000 Cu 0.461525 0.51547 1.22778e-16 61 63.546 0.0195134 -3.53413 63.546000 Cu 0.420403 0.527073 0.5 64 63.546 0.0098618 -3.53239 63.546000 Cu 0.552292 0.515156 1 32 63.546 0.0239727 -3.53659 63.546000 Cu 0.594434 0.503872 0.5 33 63.546 0.0889365 -3.53682 63.546000 Cu 0.503853 0.504056 0.5 34 63.546 0.0576225 -3.53872 63.546000 Cu 0.601972 0.52591 0.5 38 63.546 0.0343254 -3.53586 63.546000 Cu 0.510874 0.526548 0.5 63 63.546 0.00556471 -3.53574 63.546000 Cu 0.735599 0.508087 1 469 63.546 5.3948 -3.41956 63.546000 Cu 0.684266 0.503045 0.5 14 63.546 7.14512 -3.25352 63.546000 Cu 0.643551 0.514545 1 35 63.546 0.50328 -3.50401 63.546000 Cu 0.6938 0.523866 0.5 37 63.546 0.608515 -3.46032 63.546000 Cu 0.830734 0.528156 6.46832e-17 16 63.546 0.100908 -3.53399 63.546000 Cu 0.781789 0.517747 0.5 18 63.546 0.305593 -3.52304 63.546000 Cu 0.822259 0.504492 2.18845e-16 869 63.546 0.301401 -3.50341 63.546000 Cu 0.87108 0.515893 0.5 17 63.546 0.0482011 -3.52645 63.546000 Cu 0.912981 0.504192 1.22778e-16 3 63.546 0.0622728 -3.53398 63.546000 Cu 0.961525 0.51547 0.5 7 63.546 0.0195134 -3.53413 63.546000 Cu 0.920403 0.527073 0 19 63.546 0.0098618 -3.53239 63.546000 Cu 0.0606796 0.53741 0.5 11 63.546 0.00755849 -3.53706 63.546000 Cu 0.0196187 0.549001 1.22778e-16 23 63.546 0.00244975 -3.53714 63.546000 Cu 0.0694488 0.559673 0.5 25 63.546 0.00653473 -3.53714 63.546000 Cu 0.110591 0.547936 2.39567e-19 9 63.546 0.0281284 -3.53458 63.546000 Cu 0.152121 0.536148 0.5 10 63.546 0.159428 -3.52087 63.546000 Cu 0.160459 0.558029 0.5 12 63.546 0.0561415 -3.52951 63.546000 Cu 0.201777 0.545531 1 134 63.546 0.105909 -3.51564 63.546000 Cu 0.242818 0.531662 0.5 98 63.546 0.112634 -3.51648 63.546000 Cu 0.290719 0.541214 0 96 63.546 0.0735829 -3.53948 63.546000 Cu 0.339617 0.551419 0.5 102 63.546 0.0421984 -3.54028 63.546000 Cu 0.250734 0.554534 0.5 136 63.546 0.019075 -3.535 63.546000 Cu 0.469927 0.538121 0 62 63.546 0.00292034 -3.53581 63.546000 Cu 0.379784 0.539011 1 99 63.546 0.029495 -3.5363 63.546000 Cu 0.429227 0.549907 0.5 101 63.546 0.00780172 -3.53686 63.546000 Cu 0.478822 0.560745 1 103 63.546 0.00206296 -3.53767 63.546000 Cu 0.388779 0.561994 1.30444e-16 100 63.546 0.0168889 -3.53936 63.546000 Cu 0.56068 0.53741 1 65 63.546 0.00755849 -3.53706 63.546000 Cu 0.569449 0.559673 1 66 63.546 0.00653473 -3.53714 63.546000 Cu 0.519619 0.549001 0.5 68 63.546 0.00244975 -3.53714 63.546000 Cu 0.610591 0.547936 0.5 67 63.546 0.0281284 -3.53458 63.546000 Cu 0.652121 0.536148 1 36 63.546 0.159428 -3.52087 63.546000 Cu 0.701777 0.545531 0.5 42 63.546 0.105909 -3.51564 63.546000 Cu 0.660459 0.558029 1 69 63.546 0.0561415 -3.52951 63.546000 Cu 0.742818 0.531662 1 39 63.546 0.112634 -3.51648 63.546000 Cu 0.750734 0.554534 6.58811e-18 40 63.546 0.019075 -3.535 63.546000 Cu 0.790719 0.541214 0.5 41 63.546 0.0735829 -3.53948 63.546000 Cu 0.839617 0.551419 1 43 63.546 0.0421984 -3.54028 63.546000 Cu 0.929227 0.549907 3.25333e-16 20 63.546 0.00780172 -3.53686 63.546000 Cu 0.969927 0.538121 0.5 21 63.546 0.00292034 -3.53581 63.546000 Cu 0.879784 0.539011 0.5 22 63.546 0.029495 -3.5363 63.546000 Cu 0.978822 0.560745 0.5 26 63.546 0.00206296 -3.53767 63.546000 Cu 0.888779 0.561994 0.5 45 63.546 0.0168889 -3.53936 63.546000 Cu 0.0285185 0.571449 1.19784e-19 24 63.546 0.00174822 -3.53814 63.546000 Cu 0.0783284 0.581983 0.5 30 63.546 0.00449831 -3.53789 63.546000 Cu 0.11928 0.570059 0 27 63.546 0.0160934 -3.53594 63.546000 Cu 0.12814 0.592299 9.36709e-17 28 63.546 0.00865848 -3.53723 63.546000 Cu 0.16903 0.580134 0.5 29 63.546 0.0201415 -3.53465 63.546000 Cu 0.210004 0.567655 1.22539e-16 135 63.546 0.0257537 -3.53176 63.546000 Cu 0.218557 0.589962 6.60008e-17 174 63.546 0.00749895 -3.53662 63.546000 Cu 0.299462 0.564249 1.38829e-16 137 63.546 0.023175 -3.54104 63.546000 Cu 0.308257 0.587075 1.11878e-16 138 63.546 0.00781432 -3.5412 63.546000 Cu 0.348486 0.574416 0.5 139 63.546 0.0173518 -3.54121 63.546000 Cu 0.259127 0.57719 0.5 140 63.546 0.004937 -3.53861 63.546000 Cu 0.43821 0.572671 0.5 106 63.546 0.00555581 -3.53889 63.546000 Cu 0.397814 0.584845 5.03092e-18 141 63.546 0.00857274 -3.54034 63.546000 Cu 0.487844 0.583338 1 104 63.546 0.00134583 -3.53859 63.546000 Cu 0.528518 0.571449 0.5 105 63.546 0.00174822 -3.53814 63.546000 Cu 0.578328 0.581983 1 107 63.546 0.00449831 -3.53789 63.546000 Cu 0.61928 0.570059 0.5 72 63.546 0.0160934 -3.53594 63.546000 Cu 0.66903 0.580134 1 70 63.546 0.0201415 -3.53465 63.546000 Cu 0.710004 0.567655 0.5 71 63.546 0.0257537 -3.53176 63.546000 Cu 0.718557 0.589962 0.5 76 63.546 0.00749895 -3.53662 63.546000 Cu 0.62814 0.592299 0.5 109 63.546 0.00865848 -3.53723 63.546000 Cu 0.848486 0.574416 2.39567e-19 44 63.546 0.0173518 -3.54121 63.546000 Cu 0.799462 0.564249 0.5 46 63.546 0.023175 -3.54104 63.546000 Cu 0.759127 0.57719 2.47952e-17 73 63.546 0.004937 -3.53861 63.546000 Cu 0.808257 0.587075 0.5 75 63.546 0.00781432 -3.5412 63.546000 Cu 0.987844 0.583338 0.5 49 63.546 0.00134583 -3.53859 63.546000 Cu 0.93821 0.572671 1 47 63.546 0.00555581 -3.53889 63.546000 Cu 0.897814 0.584845 0.5 50 63.546 0.00857274 -3.54034 63.546000 Cu 0.0376152 0.593904 1.22539e-16 51 63.546 0.00094234 -3.53851 63.546000 Cu 0.0468072 0.616375 1.22539e-16 52 63.546 0.000567379 -3.5389 63.546000 Cu 0.0874015 0.604339 0.5 53 63.546 0.00260264 -3.5384 63.546000 Cu 0.17786 0.602394 0.5 31 63.546 0.00765277 -3.537 63.546000 Cu 0.13718 0.614617 4.36013e-17 55 63.546 0.00415545 -3.53813 63.546000 Cu 0.227438 0.612354 3.16229e-17 175 63.546 0.00244133 -3.53838 63.546000 Cu 0.186885 0.624741 0.5 214 63.546 0.00290536 -3.53822 63.546000 Cu 0.357542 0.597234 0.5 144 63.546 0.00748791 -3.54108 63.546000 Cu 0.26791 0.599774 0.5 176 63.546 0.00155688 -3.5397 63.546000 Cu 0.31728 0.60977 3.16229e-17 177 63.546 0.00289736 -3.54079 63.546000 Cu 0.276969 0.622317 0.5 180 63.546 0.000593125 -3.54003 63.546000 Cu 0.366781 0.619941 0.5 179 63.546 0.00334205 -3.54075 63.546000 Cu 0.407003 0.607581 1 142 63.546 0.00423527 -3.54048 63.546000 Cu 0.447377 0.595366 0.5 143 63.546 0.00319191 -3.53964 63.546000 Cu 0.456635 0.618009 0.5 148 63.546 0.0017217 -3.53986 63.546000 Cu 0.497044 0.6059 4.51585e-17 145 63.546 0.000740472 -3.53927 63.546000 Cu 0.587402 0.604339 8.55256e-17 108 63.546 0.00260264 -3.5384 63.546000 Cu 0.537615 0.593904 0.5 110 63.546 0.00094234 -3.53851 63.546000 Cu 0.546807 0.616375 0.5 147 63.546 0.000567379 -3.5389 63.546000 Cu 0.67786 0.602394 1 111 63.546 0.00765277 -3.537 63.546000 Cu 0.686885 0.624741 1 112 63.546 0.00290536 -3.53822 63.546000 Cu 0.727438 0.612354 0.5 113 63.546 0.00244133 -3.53838 63.546000 Cu 0.63718 0.614617 0.5 114 63.546 0.00415545 -3.53813 63.546000 Cu 0.76791 0.599774 1 74 63.546 0.00155688 -3.5397 63.546000 Cu 0.857542 0.597234 1 77 63.546 0.00748791 -3.54108 63.546000 Cu 0.81728 0.60977 0.5 80 63.546 0.00289736 -3.54079 63.546000 Cu 0.776969 0.622317 1.59672e-16 115 63.546 0.000593125 -3.54003 63.546000 Cu 0.866781 0.619941 3.23177e-16 78 63.546 0.00334205 -3.54075 63.546000 Cu 0.997044 0.6059 0.5 54 63.546 0.000740472 -3.53927 63.546000 Cu 0.947377 0.595366 2.39567e-19 48 63.546 0.00319191 -3.53964 63.546000 Cu 0.907003 0.607581 0.5 79 63.546 0.00423527 -3.54048 63.546000 Cu 0.956635 0.618009 1.26013e-16 81 63.546 0.0017217 -3.53986 63.546000 Cu 0.0965477 0.626749 0.5 57 63.546 0.00161019 -3.53883 63.546000 Cu 0.00633389 0.628455 0.5 83 63.546 0.000544932 -3.53942 63.546000 Cu 0.0559484 0.638865 2.45197e-16 85 63.546 0.000445727 -3.53938 63.546000 Cu 0.105552 0.649191 0.5 87 63.546 0.0010497 -3.53951 63.546000 Cu 0.0152841 0.651015 0.5 88 63.546 0.000279547 -3.53998 63.546000 Cu 0.146269 0.636998 1.2206e-16 56 63.546 0.00203446 -3.53879 63.546000 Cu 0.195848 0.647142 0.5 218 63.546 0.00119249 -3.53899 63.546000 Cu 0.236481 0.63479 1 215 63.546 0.00100167 -3.53923 63.546000 Cu 0.326453 0.63239 3.67856e-16 178 63.546 0.00149708 -3.5407 63.546000 Cu 0.285967 0.64485 0.5 217 63.546 0.00055357 -3.54 63.546000 Cu 0.335272 0.654988 0 219 63.546 0.000757054 -3.54025 63.546000 Cu 0.41633 0.630255 3.2102e-17 181 63.546 0.0019898 -3.54054 63.546000 Cu 0.42523 0.652897 1 182 63.546 0.00080792 -3.54035 63.546000 Cu 0.465814 0.640636 0.5 183 63.546 0.000817569 -3.54016 63.546000 Cu 0.375874 0.642595 0.5 184 63.546 0.00165306 -3.54069 63.546000 Cu 0.506334 0.628455 1 146 63.546 0.000544932 -3.53942 63.546000 Cu 0.596548 0.626749 1 149 63.546 0.00161019 -3.53883 63.546000 Cu 0.605552 0.649191 1 150 63.546 0.0010497 -3.53951 63.546000 Cu 0.555948 0.638865 0.5 152 63.546 0.000445727 -3.53938 63.546000 Cu 0.515284 0.651015 0 185 63.546 0.000279547 -3.53998 63.546000 Cu 0.646269 0.636998 0.5 151 63.546 0.00203446 -3.53879 63.546000 Cu 0.695848 0.647142 1 153 63.546 0.00119249 -3.53899 63.546000 Cu 0.736481 0.63479 0.5 118 63.546 0.00100167 -3.53923 63.546000 Cu 0.785967 0.64485 4.60209e-16 116 63.546 0.00055357 -3.54 63.546000 Cu 0.826453 0.63239 0.5 117 63.546 0.00149708 -3.5407 63.546000 Cu 0.835272 0.654988 0.5 122 63.546 0.000757054 -3.54025 63.546000 Cu 0.965814 0.640636 4.75541e-17 82 63.546 0.000817569 -3.54016 63.546000 Cu 0.91633 0.630255 0.5 84 63.546 0.0019898 -3.54054 63.546000 Cu 0.875874 0.642595 1.43501e-16 119 63.546 0.00165306 -3.54069 63.546000 Cu 0.92523 0.652897 0.5 121 63.546 0.00080792 -3.54035 63.546000 Cu 0.0647567 0.661364 2.36453e-16 86 63.546 0.000243063 -3.53995 63.546000 Cu 0.0239353 0.673563 0.5 125 63.546 8.54867e-05 -3.54028 63.546000 Cu 0.0733041 0.683883 1 127 63.546 0.000163599 -3.54004 63.546000 Cu 0.114169 0.67166 0.5 91 63.546 0.00055544 -3.53958 63.546000 Cu 0.155038 0.659422 1.22419e-16 89 63.546 0.000918458 -3.53932 63.546000 Cu 0.163477 0.681888 0 90 63.546 0.000343183 -3.53945 63.546000 Cu 0.204376 0.669589 0.5 256 63.546 0.000307871 -3.53936 63.546000 Cu 0.245274 0.657258 1.25294e-16 216 63.546 0.000611933 -3.53945 63.546000 Cu 0.343719 0.677563 2.14772e-16 220 63.546 0.000231495 -3.54018 63.546000 Cu 0.294521 0.667386 0.5 222 63.546 0.000196885 -3.53978 63.546000 Cu 0.253642 0.679744 1.22539e-16 257 63.546 5.61743e-05 -3.53971 63.546000 Cu 0.474559 0.663227 0.5 188 63.546 0.000319825 -3.54029 63.546000 Cu 0.384506 0.665212 0.5 221 63.546 0.000629232 -3.54037 63.546000 Cu 0.433787 0.675492 1 223 63.546 0.00031662 -3.54037 63.546000 Cu 0.483105 0.685799 0.5 225 63.546 0.00010394 -3.5404 63.546000 Cu 0.523935 0.673563 1.883e-16 186 63.546 8.54867e-05 -3.54028 63.546000 Cu 0.564757 0.661364 0.5 187 63.546 0.000243063 -3.53995 63.546000 Cu 0.573304 0.683883 0.5 192 63.546 0.000163599 -3.54004 63.546000 Cu 0.614169 0.67166 1 189 63.546 0.00055544 -3.53958 63.546000 Cu 0.704376 0.669589 1 154 63.546 0.000307871 -3.53936 63.546000 Cu 0.655038 0.659422 0.5 156 63.546 0.000918458 -3.53932 63.546000 Cu 0.663477 0.681888 0.5 191 63.546 0.000343183 -3.53945 63.546000 Cu 0.745274 0.657258 0.5 155 63.546 0.000611933 -3.53945 63.546000 Cu 0.794521 0.667386 1.8806e-17 157 63.546 0.000196885 -3.53978 63.546000 Cu 0.843719 0.677563 0.5 159 63.546 0.000231495 -3.54018 63.546000 Cu 0.753642 0.679744 0.5 160 63.546 5.61743e-05 -3.53971 63.546000 Cu 0.884506 0.665212 1 120 63.546 0.000629232 -3.54037 63.546000 Cu 0.974559 0.663227 2.39567e-19 123 63.546 0.000319825 -3.54029 63.546000 Cu 0.983105 0.685799 2.39567e-19 124 63.546 0.00010394 -3.5404 63.546000 Cu 0.933787 0.675492 0.5 126 63.546 0.00031662 -3.54037 63.546000 Cu 0.0816615 0.706423 7.24692e-17 128 63.546 0.000182764 -3.5399 63.546000 Cu 0.0323901 0.696117 0.5 130 63.546 3.86053e-05 -3.54026 63.546000 Cu 0.122583 0.694169 0.5 129 63.546 0.000388595 -3.53974 63.546000 Cu 0.0408572 0.718679 0.5 167 63.546 3.64695e-05 -3.53987 63.546000 Cu 0.171847 0.704386 1.22539e-16 131 63.546 0.00013986 -3.53967 63.546000 Cu 0.130975 0.716682 0.5 133 63.546 0.000210056 -3.5399 63.546000 Cu 0.21274 0.692082 0.5 260 63.546 0.000117928 -3.53961 63.546000 Cu 0.221167 0.714576 0.5 296 63.546 3.18869e-05 -3.53972 63.546000 Cu 0.262005 0.702257 1.22539e-16 258 63.546 2.64355e-05 -3.53971 63.546000 Cu 0.302869 0.689919 0.5 259 63.546 3.95812e-05 -3.54004 63.546000 Cu 0.352161 0.700106 3.16229e-17 261 63.546 0.000220022 -3.54009 63.546000 Cu 0.31131 0.712437 0.5 264 63.546 4.03783e-05 -3.53975 63.546000 Cu 0.442273 0.698064 2.94908e-16 224 63.546 0.000154638 -3.54028 63.546000 Cu 0.392989 0.687785 0.5 226 63.546 0.000391244 -3.54026 63.546000 Cu 0.401463 0.710344 0.5 263 63.546 0.000306458 -3.5401 63.546000 Cu 0.491557 0.708377 0.5 230 63.546 9.61267e-06 -3.54011 63.546000 Cu 0.53239 0.696117 3.16229e-17 227 63.546 3.86053e-05 -3.54026 63.546000 Cu 0.581662 0.706423 0.5 229 63.546 0.000182764 -3.5399 63.546000 Cu 0.622583 0.694169 1 190 63.546 0.000388595 -3.53974 63.546000 Cu 0.540857 0.718679 1 228 63.546 3.64695e-05 -3.53987 63.546000 Cu 0.71274 0.692082 1 193 63.546 0.000117928 -3.53961 63.546000 Cu 0.721167 0.714576 1.19784e-19 194 63.546 3.18869e-05 -3.53972 63.546000 Cu 0.671847 0.704386 0.5 196 63.546 0.00013986 -3.53967 63.546000 Cu 0.630975 0.716682 2.39567e-19 231 63.546 0.000210056 -3.5399 63.546000 Cu 0.802869 0.689919 3.16229e-17 158 63.546 3.95812e-05 -3.54004 63.546000 Cu 0.852161 0.700106 0.5 164 63.546 0.000220022 -3.54009 63.546000 Cu 0.762005 0.702257 0.5 195 63.546 2.64355e-05 -3.53971 63.546000 Cu 0.81131 0.712437 1 197 63.546 4.03783e-05 -3.53975 63.546000 Cu 0.991557 0.708377 2.45197e-16 165 63.546 9.61267e-06 -3.54011 63.546000 Cu 0.892989 0.687785 1.19784e-19 161 63.546 0.000391244 -3.54026 63.546000 Cu 0.901463 0.710344 1.74166e-16 162 63.546 0.000306458 -3.5401 63.546000 Cu 0.942273 0.698064 0.5 163 63.546 0.000154638 -3.54028 63.546000 Cu 3.11492e-05 0.730944 2.69394e-16 166 63.546 0.00014166 -3.54012 63.546000 Cu 0.0901273 0.728966 2.61129e-16 169 63.546 0.000194921 -3.53995 63.546000 Cu 0.0492175 0.741244 0.5 172 63.546 0.000164529 -3.54025 63.546000 Cu 0.180287 0.726898 7.63022e-17 132 63.546 0.000125977 -3.53999 63.546000 Cu 0.139361 0.739217 0.5 171 63.546 0.000260227 -3.54006 63.546000 Cu 0.229521 0.737089 0.5 300 63.546 6.13958e-05 -3.53983 63.546000 Cu 0.188538 0.749427 1 336 63.546 0.000148139 -3.53991 63.546000 Cu 0.360615 0.722636 1 262 63.546 0.000353728 -3.54 63.546000 Cu 0.27045 0.724759 1 297 63.546 3.61882e-05 -3.53963 63.546000 Cu 0.27873 0.747264 2.45437e-16 298 63.546 0.000179649 -3.53966 63.546000 Cu 0.319715 0.734948 0.5 299 63.546 0.000238232 -3.53975 63.546000 Cu 0.368901 0.74518 1 301 63.546 0.000262762 -3.53996 63.546000 Cu 0.450755 0.720639 1 265 63.546 6.48293e-05 -3.54015 63.546000 Cu 0.45905 0.743201 1 266 63.546 5.03039e-05 -3.54017 63.546000 Cu 0.409858 0.732901 0.5 268 63.546 0.000200351 -3.5402 63.546000 Cu 0.590127 0.728966 0.5 234 63.546 0.000194921 -3.53995 63.546000 Cu 0.500031 0.730944 0.5 267 63.546 0.00014166 -3.54012 63.546000 Cu 0.549218 0.741244 1 269 63.546 0.000164529 -3.54025 63.546000 Cu 0.639361 0.739217 0 232 63.546 0.000260227 -3.54006 63.546000 Cu 0.680287 0.726898 0.5 233 63.546 0.000125977 -3.53999 63.546000 Cu 0.729521 0.737089 0 235 63.546 6.13958e-05 -3.53983 63.546000 Cu 0.688538 0.749427 0.5 238 63.546 0.000148139 -3.53991 63.546000 Cu 0.819715 0.734948 7.77397e-17 198 63.546 0.000238232 -3.53975 63.546000 Cu 0.860615 0.722636 0.5 199 63.546 0.000353728 -3.54 63.546000 Cu 0.77045 0.724759 0.5 200 63.546 3.61882e-05 -3.53963 63.546000 Cu 0.77873 0.747264 0.5 237 63.546 0.000179649 -3.53966 63.546000 Cu 0.868901 0.74518 0.5 204 63.546 0.000262762 -3.53996 63.546000 Cu 0.950755 0.720639 0.5 168 63.546 6.48293e-05 -3.54015 63.546000 Cu 0.909858 0.732901 4.38409e-17 201 63.546 0.000200351 -3.5402 63.546000 Cu 0.95905 0.743201 0.5 203 63.546 5.03039e-05 -3.54017 63.546000 Cu 0.0983572 0.751525 9.06763e-17 170 63.546 0.000251644 -3.54023 63.546000 Cu 0.00819451 0.753514 1 205 63.546 4.67931e-05 -3.54027 63.546000 Cu 0.0162932 0.776093 5.68973e-17 206 63.546 0.000173867 -3.54028 63.546000 Cu 0.0572846 0.763818 0.5 207 63.546 0.000261325 -3.54032 63.546000 Cu 0.106427 0.774077 0 209 63.546 0.000265162 -3.54008 63.546000 Cu 0.14746 0.761757 0.5 173 63.546 0.000170026 -3.53988 63.546000 Cu 0.196581 0.771947 1 337 63.546 6.92347e-05 -3.53977 63.546000 Cu 0.237637 0.759601 0.5 338 63.546 1.35332e-05 -3.53977 63.546000 Cu 0.327853 0.757465 0.5 304 63.546 0.000311963 -3.53972 63.546000 Cu 0.286771 0.769771 1 339 63.546 0.00031192 -3.53971 63.546000 Cu 0.335945 0.779986 0.5 341 63.546 0.00045739 -3.53977 63.546000 Cu 0.376966 0.767724 1 302 63.546 0.000165207 -3.54 63.546000 Cu 0.418013 0.755458 0.5 303 63.546 7.32469e-05 -3.54012 63.546000 Cu 0.467143 0.765764 0 305 63.546 4.69638e-05 -3.54016 63.546000 Cu 0.426163 0.778018 0.5 308 63.546 7.5589e-05 -3.54008 63.546000 Cu 0.557285 0.763818 0 270 63.546 0.000261325 -3.54032 63.546000 Cu 0.598357 0.751525 0.5 271 63.546 0.000251644 -3.54023 63.546000 Cu 0.508195 0.753514 0.5 272 63.546 4.67931e-05 -3.54027 63.546000 Cu 0.606427 0.774077 0.5 276 63.546 0.000265162 -3.54008 63.546000 Cu 0.516293 0.776093 0.5 307 63.546 0.000173867 -3.54028 63.546000 Cu 0.64746 0.761757 1 273 63.546 0.000170026 -3.53988 63.546000 Cu 0.696581 0.771947 0.5 275 63.546 6.92347e-05 -3.53977 63.546000 Cu 0.737637 0.759601 1.42543e-16 236 63.546 1.35332e-05 -3.53977 63.546000 Cu 0.827853 0.757465 3.16229e-17 239 63.546 0.000311963 -3.53972 63.546000 Cu 0.835945 0.779986 3.16229e-17 240 63.546 0.00045739 -3.53977 63.546000 Cu 0.786771 0.769771 0.5 242 63.546 0.00031192 -3.53971 63.546000 Cu 0.918013 0.755458 0 202 63.546 7.32469e-05 -3.54012 63.546000 Cu 0.967143 0.765764 0.5 208 63.546 4.69638e-05 -3.54016 63.546000 Cu 0.876966 0.767724 0.5 241 63.546 0.000165207 -3.54 63.546000 Cu 0.926163 0.778018 1 243 63.546 7.5589e-05 -3.54008 63.546000 Cu 0.0654894 0.786401 0.5 212 63.546 0.000501654 -3.54032 63.546000 Cu 0.0245856 0.79869 1 247 63.546 0.000425328 -3.54045 63.546000 Cu 0.0737739 0.808996 0.5 249 63.546 0.000785553 -3.54031 63.546000 Cu 0.114666 0.796645 1.4374e-17 210 63.546 0.000300738 -3.54023 63.546000 Cu 0.15559 0.78429 0.5 211 63.546 0.000111488 -3.53993 63.546000 Cu 0.163799 0.80684 0.5 213 63.546 0.000203697 -3.54002 63.546000 Cu 0.204769 0.794467 3.16229e-17 378 63.546 4.91626e-05 -3.53971 63.546000 Cu 0.245755 0.782112 0.5 342 63.546 4.80003e-05 -3.53967 63.546000 Cu 0.294944 0.792278 1.81472e-16 340 63.546 0.000461369 -3.53956 63.546000 Cu 0.344179 0.802487 0.5 346 63.546 0.000743387 -3.53957 63.546000 Cu 0.253937 0.804608 0.5 380 63.546 0.000232637 -3.5393 63.546000 Cu 0.475381 0.788345 6.94746e-18 306 63.546 4.92779e-05 -3.54028 63.546000 Cu 0.385199 0.790257 1 343 63.546 0.000224911 -3.53979 63.546000 Cu 0.434431 0.800573 0.5 345 63.546 0.000116562 -3.54008 63.546000 Cu 0.483668 0.810939 1.22539e-16 347 63.546 0.000258946 -3.54037 63.546000 Cu 0.565489 0.786401 1 309 63.546 0.000501654 -3.54032 63.546000 Cu 0.573774 0.808996 3.16229e-17 310 63.546 0.000785553 -3.54031 63.546000 Cu 0.524586 0.79869 0.5 312 63.546 0.000425328 -3.54045 63.546000 Cu 0.614666 0.796645 0.5 311 63.546 0.000300738 -3.54023 63.546000 Cu 0.65559 0.78429 1 274 63.546 0.000111488 -3.53993 63.546000 Cu 0.704769 0.794467 0.5 280 63.546 4.91626e-05 -3.53971 63.546000 Cu 0.663799 0.80684 3.16229e-17 313 63.546 0.000203697 -3.54002 63.546000 Cu 0.745755 0.782112 2.83408e-16 277 63.546 4.80003e-05 -3.53967 63.546000 Cu 0.753937 0.804608 1 278 63.546 0.000232637 -3.5393 63.546000 Cu 0.794944 0.792278 0.5 279 63.546 0.000461369 -3.53956 63.546000 Cu 0.844179 0.802487 1 281 63.546 0.000743387 -3.53957 63.546000 Cu 0.934431 0.800573 1 244 63.546 0.000116562 -3.54008 63.546000 Cu 0.975381 0.788345 0.5 245 63.546 4.92779e-05 -3.54028 63.546000 Cu 0.885199 0.790257 0.5 246 63.546 0.000224911 -3.53979 63.546000 Cu 0.983668 0.810939 0.5 250 63.546 0.000258946 -3.54037 63.546000 Cu 0.032914 0.821295 1.96206e-16 248 63.546 0.000776243 -3.54031 63.546000 Cu 0.0821171 0.831607 0.5 254 63.546 0.00128004 -3.54056 63.546000 Cu 0.122936 0.819234 1 251 63.546 0.000666937 -3.54028 63.546000 Cu 0.131204 0.841847 1.22539e-16 252 63.546 0.0017087 -3.5406 63.546000 Cu 0.17208 0.829395 0.5 253 63.546 0.000469684 -3.53993 63.546000 Cu 0.212957 0.816976 1 379 63.546 0.000204633 -3.53937 63.546000 Cu 0.221206 0.839461 1 416 63.546 0.000589904 -3.53895 63.546000 Cu 0.303174 0.814753 3.16229e-17 381 63.546 0.000940464 -3.53921 63.546000 Cu 0.3115 0.837187 1 382 63.546 0.002235 -3.53882 63.546000 Cu 0.352508 0.824961 0.5 383 63.546 0.00136616 -3.53942 63.546000 Cu 0.262195 0.827066 0.5 384 63.546 0.000886352 -3.53883 63.546000 Cu 0.393473 0.812769 1 344 63.546 0.000491083 -3.53973 63.546000 Cu 0.442791 0.823134 0.5 350 63.546 0.000127624 -3.54003 63.546000 Cu 0.401856 0.835283 1 385 63.546 0.000653923 -3.53978 63.546000 Cu 0.49207 0.83354 3.16229e-17 348 63.546 0.000684548 -3.54025 63.546000 Cu 0.532914 0.821295 0.5 349 63.546 0.000776243 -3.54031 63.546000 Cu 0.582117 0.831607 1 351 63.546 0.00128004 -3.54056 63.546000 Cu 0.622936 0.819234 0.5 316 63.546 0.000666937 -3.54028 63.546000 Cu 0.67208 0.829395 1.22539e-16 314 63.546 0.000469684 -3.53993 63.546000 Cu 0.712957 0.816976 0.5 315 63.546 0.000204633 -3.53937 63.546000 Cu 0.721206 0.839461 0.5 320 63.546 0.000589904 -3.53895 63.546000 Cu 0.631204 0.841847 0.5 353 63.546 0.0017087 -3.5406 63.546000 Cu 0.852508 0.824961 1 282 63.546 0.00136616 -3.53942 63.546000 Cu 0.803174 0.814753 0.5 284 63.546 0.000940464 -3.53921 63.546000 Cu 0.762195 0.827066 1 317 63.546 0.000886352 -3.53883 63.546000 Cu 0.8115 0.837187 0.5 319 63.546 0.002235 -3.53882 63.546000 Cu 0.99207 0.83354 0.5 287 63.546 0.000684548 -3.54025 63.546000 Cu 0.893473 0.812769 0.5 283 63.546 0.000491083 -3.53973 63.546000 Cu 0.942791 0.823134 3.16229e-17 285 63.546 0.000127624 -3.54003 63.546000 Cu 0.901856 0.835283 0.5 288 63.546 0.000653923 -3.53978 63.546000 Cu 0.0412494 0.843932 3.16229e-17 289 63.546 0.0015835 -3.54052 63.546000 Cu 0.0494355 0.866631 1 290 63.546 0.00366339 -3.54084 63.546000 Cu 0.0903055 0.854273 0.5 291 63.546 0.00285748 -3.54085 63.546000 Cu 0.000366875 0.856173 0.5 292 63.546 0.00154508 -3.54034 63.546000 Cu 0.180212 0.851953 0.5 255 63.546 0.00102994 -3.53964 63.546000 Cu 0.139247 0.864493 1 293 63.546 0.00380567 -3.54062 63.546000 Cu 0.229231 0.861906 1 417 63.546 0.00185705 -3.53784 63.546000 Cu 0.188143 0.874502 0.5 446 63.546 0.00205985 -3.53886 63.546000 Cu 0.360805 0.847417 0.5 388 63.546 0.00225695 -3.53927 63.546000 Cu 0.270392 0.849483 0.5 418 63.546 0.00277114 -3.5381 63.546000 Cu 0.319631 0.859577 0 419 63.546 0.00492708 -3.53826 63.546000 Cu 0.278378 0.871834 0.5 422 63.546 0.0077307 -3.53677 63.546000 Cu 0.368929 0.869847 0.5 421 63.546 0.00331466 -3.53899 63.546000 Cu 0.410087 0.857796 3.16229e-17 386 63.546 0.000768366 -3.53977 63.546000 Cu 0.451153 0.845706 0.5 387 63.546 0.000376112 -3.54009 63.546000 Cu 0.459339 0.868295 0.5 392 63.546 0.000699374 -3.5399 63.546000 Cu 0.590306 0.854273 1 352 63.546 0.00285748 -3.54085 63.546000 Cu 0.541249 0.843932 0.5 354 63.546 0.0015835 -3.54052 63.546000 Cu 0.500367 0.856173 3.16229e-17 389 63.546 0.00154508 -3.54034 63.546000 Cu 0.549435 0.866631 0.5 391 63.546 0.00366339 -3.54084 63.546000 Cu 0.680212 0.851953 3.16229e-17 355 63.546 0.00102994 -3.53964 63.546000 Cu 0.688143 0.874502 6.43239e-17 356 63.546 0.00205985 -3.53886 63.546000 Cu 0.729231 0.861906 0.5 357 63.546 0.00185705 -3.53784 63.546000 Cu 0.639247 0.864493 0.5 358 63.546 0.00380567 -3.54062 63.546000 Cu 0.770392 0.849483 1 318 63.546 0.00277114 -3.5381 63.546000 Cu 0.860805 0.847417 1.22419e-16 321 63.546 0.00225695 -3.53927 63.546000 Cu 0.819631 0.859577 0.5 324 63.546 0.00492708 -3.53826 63.546000 Cu 0.778378 0.871834 1 359 63.546 0.0077307 -3.53677 63.546000 Cu 0.868929 0.869847 3.16229e-17 322 63.546 0.00331466 -3.53899 63.546000 Cu 0.951153 0.845706 6.26469e-17 286 63.546 0.000376112 -3.54009 63.546000 Cu 0.910087 0.857796 0.5 323 63.546 0.000768366 -3.53977 63.546000 Cu 0.959339 0.868295 1 325 63.546 0.000699374 -3.5399 63.546000 Cu 0.0983984 0.877017 0.5 295 63.546 0.00751929 -3.5413 63.546000 Cu 0.00853148 0.878855 0.5 327 63.546 0.00305234 -3.5401 63.546000 Cu 0.0576237 0.889418 1 329 63.546 0.00915431 -3.54082 63.546000 Cu 0.106613 0.899868 0.5 331 63.546 0.0195746 -3.54139 63.546000 Cu 0.0168429 0.901582 0.5 332 63.546 0.00511289 -3.53919 63.546000 Cu 0.14726 0.887197 2.37531e-16 294 63.546 0.00885445 -3.54076 63.546000 Cu 0.196077 0.897063 0.5 450 63.546 0.00492167 -3.53774 63.546000 Cu 0.237116 0.88429 3.16229e-17 447 63.546 0.00676776 -3.53578 63.546000 Cu 0.327663 0.88191 1 420 63.546 0.00955487 -3.53752 63.546000 Cu 0.286333 0.894091 0.5 449 63.546 0.0208061 -3.53442 63.546000 Cu 0.335784 0.904166 1 451 63.546 0.0171705 -3.53631 63.546000 Cu 0.41825 0.880299 1 423 63.546 0.00109512 -3.53916 63.546000 Cu 0.426528 0.902782 1 424 63.546 0.00169153 -3.53854 63.546000 Cu 0.467564 0.890893 0.5 425 63.546 0.00121442 -3.53902 63.546000 Cu 0.377075 0.892234 0.5 426 63.546 0.00479981 -3.53845 63.546000 Cu 0.508531 0.878855 1 390 63.546 0.00305234 -3.5401 63.546000 Cu 0.598398 0.877017 1 393 63.546 0.00751929 -3.5413 63.546000 Cu 0.606613 0.899868 1 394 63.546 0.0195746 -3.54139 63.546000 Cu 0.557624 0.889418 0.5 396 63.546 0.00915431 -3.54082 63.546000 Cu 0.516843 0.901582 1 427 63.546 0.00511289 -3.53919 63.546000 Cu 0.64726 0.887197 0.5 395 63.546 0.00885445 -3.54076 63.546000 Cu 0.696077 0.897063 3.94089e-17 397 63.546 0.00492167 -3.53774 63.546000 Cu 0.737116 0.88429 0.5 362 63.546 0.00676776 -3.53578 63.546000 Cu 0.786333 0.894091 1 360 63.546 0.0208061 -3.53442 63.546000 Cu 0.827663 0.88191 0.5 361 63.546 0.00955487 -3.53752 63.546000 Cu 0.835784 0.904166 0.5 366 63.546 0.0171705 -3.53631 63.546000 Cu 0.967564 0.890893 1 326 63.546 0.00121442 -3.53902 63.546000 Cu 0.91825 0.880299 0.5 328 63.546 0.00109512 -3.53916 63.546000 Cu 0.877075 0.892234 0 363 63.546 0.00479981 -3.53845 63.546000 Cu 0.926528 0.902782 0.5 365 63.546 0.00169153 -3.53854 63.546000 Cu 0.0660632 0.912292 1 330 63.546 0.0187767 -3.53959 63.546000 Cu 0.0254051 0.924365 0.5 369 63.546 0.00761643 -3.53695 63.546000 Cu 0.0747023 0.935268 1 371 63.546 0.0311895 -3.53645 63.546000 Cu 0.115053 0.922852 0.5 335 63.546 0.0446469 -3.54035 63.546000 Cu 0.155426 0.91001 9.34313e-18 333 63.546 0.023095 -3.54047 63.546000 Cu 0.16382 0.933019 0 334 63.546 0.0707472 -3.53905 63.546000 Cu 0.20401 0.919689 0.5 470 63.546 0.0174005 -3.53413 63.546000 Cu 0.245021 0.906587 1 448 63.546 0.0243321 -3.53102 63.546000 Cu 0.344067 0.926317 5.24653e-17 452 63.546 0.0278267 -3.53505 63.546000 Cu 0.29437 0.916211 0.5 454 63.546 0.0555804 -3.52958 63.546000 Cu 0.252863 0.928701 2.991e-16 471 63.546 0.104804 -3.51588 63.546000 Cu 0.476004 0.913511 0.5 430 63.546 0.00183293 -3.53801 63.546000 Cu 0.385393 0.914575 0.5 453 63.546 0.00640761 -3.53772 63.546000 Cu 0.435016 0.925261 2.18366e-16 455 63.546 0.00224577 -3.53754 63.546000 Cu 0.484588 0.936148 0.5 457 63.546 0.00276329 -3.53599 63.546000 Cu 0.393816 0.936863 0.5 458 63.546 0.00684667 -3.53744 63.546000 Cu 0.525405 0.924365 3.16229e-17 428 63.546 0.00761643 -3.53695 63.546000 Cu 0.566063 0.912292 0.5 429 63.546 0.0187767 -3.53959 63.546000 Cu 0.574702 0.935268 0.5 434 63.546 0.0311895 -3.53645 63.546000 Cu 0.615053 0.922852 1 431 63.546 0.0446469 -3.54035 63.546000 Cu 0.70401 0.919689 2.45197e-16 398 63.546 0.0174005 -3.53413 63.546000 Cu 0.655426 0.91001 0.5 400 63.546 0.023095 -3.54047 63.546000 Cu 0.66382 0.933019 0.5 433 63.546 0.0707472 -3.53905 63.546000 Cu 0.745021 0.906587 0.5 399 63.546 0.0243321 -3.53102 63.546000 Cu 0.79437 0.916211 3.58153e-17 401 63.546 0.0555804 -3.52958 63.546000 Cu 0.844067 0.926317 0.5 403 63.546 0.0278267 -3.53505 63.546000 Cu 0.752863 0.928701 0.5 404 63.546 0.104804 -3.51588 63.546000 Cu 0.885393 0.914575 3.16229e-17 364 63.546 0.00640761 -3.53772 63.546000 Cu 0.976004 0.913511 4.432e-18 367 63.546 0.00183293 -3.53801 63.546000 Cu 0.984588 0.936148 3.16229e-17 368 63.546 0.00276329 -3.53599 63.546000 Cu 0.935016 0.925261 0.5 370 63.546 0.00224577 -3.53754 63.546000 Cu 0.893816 0.936863 2.58254e-16 405 63.546 0.00684667 -3.53744 63.546000 Cu 0.0833129 0.958389 1 372 63.546 0.0483057 -3.52631 63.546000 Cu 0.0339883 0.947209 0.5 374 63.546 0.00922512 -3.53251 63.546000 Cu 0.123666 0.9461 0.5 373 63.546 0.102589 -3.53426 63.546000 Cu 0.172568 0.95647 1 375 63.546 0.293538 -3.52218 63.546000 Cu 0.211677 0.942538 0.5 474 63.546 0.101427 -3.51689 63.546000 Cu 0.218882 0.966076 0.5 484 63.546 5.44358 -3.41889 63.546000 Cu 0.260633 0.950394 3.16229e-17 472 63.546 0.582986 -3.46363 63.546000 Cu 0.302418 0.938106 0.5 473 63.546 0.156506 -3.52137 63.546000 Cu 0.352433 0.948367 2.44958e-16 475 63.546 0.0333311 -3.53598 63.546000 Cu 0.310801 0.959731 0.5 478 63.546 0.488095 -3.50542 63.546000 Cu 0.443514 0.947731 2.45078e-16 456 63.546 0.00489484 -3.53627 63.546000 Cu 0.402047 0.959143 0.5 477 63.546 0.0214928 -3.53674 63.546000 Cu 0.492828 0.958832 0.5 462 63.546 0.0169841 -3.5345 63.546000 Cu 0.533988 0.947209 3.16229e-17 459 63.546 0.00922512 -3.53251 63.546000 Cu 0.583313 0.958389 0.5 461 63.546 0.0483057 -3.52631 63.546000 Cu 0.623666 0.9461 0 432 63.546 0.102589 -3.53426 63.546000 Cu 0.711677 0.942538 2.04112e-16 435 63.546 0.101427 -3.51689 63.546000 Cu 0.718882 0.966076 0 436 63.546 5.44358 -3.41889 63.546000 Cu 0.672568 0.95647 0.5 438 63.546 0.293538 -3.52218 63.546000 Cu 0.802418 0.938106 0 402 63.546 0.156506 -3.52137 63.546000 Cu 0.852433 0.948367 0.5 408 63.546 0.0333311 -3.53598 63.546000 Cu 0.760633 0.950394 0.5 437 63.546 0.582986 -3.46363 63.546000 Cu 0.810801 0.959731 1.07686e-16 439 63.546 0.488095 -3.50542 63.546000 Cu 0.992828 0.958832 7.01933e-17 409 63.546 0.0169841 -3.5345 63.546000 Cu 0.902047 0.959143 1.48532e-17 406 63.546 0.0214928 -3.53674 63.546000 Cu 0.943514 0.947731 0.5 407 63.546 0.00489484 -3.53627 63.546000 Cu 0.0414526 0.970112 0.5 411 63.546 0.0600878 -3.53388 63.546000 Cu 0.0891162 0.98149 1 413 63.546 0.193328 -3.52385 63.546000 Cu 0.0413105 0.992913 0.5 415 63.546 0.0567385 -3.53307 63.546000 Cu 0.132223 0.969764 0.5 377 63.546 0.305532 -3.50332 63.546000 Cu 0.183743 0.981427 4.37211e-17 376 63.546 4.31694 -3.53976 63.546000 Cu 0.132011 0.993184 0.5 414 63.546 0.297449 -3.50179 63.546000 Cu 0.218619 0.996775 0.5 488 63.546 5.38602 -3.41827 63.546000 Cu 0.35994 0.970428 1.22179e-16 476 63.546 0.0850355 -3.5374 63.546000 Cu 0.270025 0.97126 4.90035e-16 485 63.546 7.14295 -3.25703 63.546000 Cu 0.269874 0.991641 3.766e-16 486 63.546 7.16873 -3.25755 63.546000 Cu 0.314976 0.981485 0.5 487 63.546 3.11077 -3.47267 63.546000 Cu 0.359798 0.992555 1.22299e-16 489 63.546 0.084079 -3.5369 63.546000 Cu 0.450514 0.97026 2.45197e-16 479 63.546 0.0544587 -3.53895 63.546000 Cu 0.450376 0.992782 1 480 63.546 0.0524942 -3.5386 63.546000 Cu 0.406063 0.981509 0.5 482 63.546 0.0669363 -3.54225 63.546000 Cu 0.497179 0.981528 0.5 481 63.546 0.0850825 -3.54099 63.546000 Cu 0.541453 0.970112 2.66878e-16 460 63.546 0.0600878 -3.53388 63.546000 Cu 0.589116 0.98149 0.5 466 63.546 0.193328 -3.52385 63.546000 Cu 0.541311 0.992913 1 483 63.546 0.0567385 -3.53307 63.546000 Cu 0.632223 0.969764 1.22539e-16 463 63.546 0.305532 -3.50332 63.546000 Cu 0.632011 0.993184 1 464 63.546 0.297449 -3.50179 63.546000 Cu 0.683743 0.981427 0.5 465 63.546 4.31694 -3.53976 63.546000 Cu 0.718619 0.996775 1.77759e-16 467 63.546 5.38602 -3.41827 63.546000 Cu 0.814976 0.981485 1 440 63.546 3.11077 -3.47267 63.546000 Cu 0.85994 0.970428 0.5 441 63.546 0.0850355 -3.5374 63.546000 Cu 0.770025 0.97126 0.5 442 63.546 7.14295 -3.25703 63.546000 Cu 0.769874 0.991641 0.5 468 63.546 7.16873 -3.25755 63.546000 Cu 0.859798 0.992555 0.5 445 63.546 0.084079 -3.5369 63.546000 Cu 0.997179 0.981528 3.59351e-19 410 63.546 0.0850825 -3.54099 63.546000 Cu 0.950514 0.97026 0.5 412 63.546 0.0544587 -3.53895 63.546000 Cu 0.906063 0.981509 1 443 63.546 0.0669363 -3.54225 63.546000 Cu 0.950376 0.992782 0.5 444 63.546 0.0524942 -3.5386