Number of particles = 974 A = 1 Angstrom (basic length-scale) H0(1,1) = 28.2037 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 112.945 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.62028 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 0.0829262 0.00459256 1 502 63.546 0.0458628 -3.526 63.546000 Cu 0.0335297 0.0157896 0.5 503 63.546 0.00908733 -3.53225 63.546000 Cu 0.0741331 0.0277145 1.82443e-16 515 63.546 0.0294478 -3.53624 63.546000 Cu 0.123216 0.016849 0.5 517 63.546 0.100913 -3.53403 63.546000 Cu 0.163226 0.0298929 1.22667e-16 516 63.546 0.0757931 -3.53941 63.546000 Cu 0.17222 0.00642699 1 519 63.546 0.306743 -3.52304 63.546000 Cu 0.260179 0.0125096 1 520 63.546 0.575185 -3.46281 63.546000 Cu 0.211165 0.020343 0.5 521 63.546 0.108715 -3.51694 63.546000 Cu 0.252178 0.0342127 2.37188e-17 541 63.546 0.100476 -3.51612 63.546000 Cu 0.310465 0.0032166 0.5 522 63.546 0.488842 -3.50483 63.546000 Cu 0.301783 0.0248472 0.5 543 63.546 0.159121 -3.52162 63.546000 Cu 0.351933 0.0146255 1 545 63.546 0.0355322 -3.5361 63.546000 Cu 0.401707 0.00387843 0.5 547 63.546 0.0213255 -3.53634 63.546000 Cu 0.393178 0.0261419 0.5 548 63.546 0.0076875 -3.5372 63.546000 Cu 0.443002 0.0152856 1.19792e-19 546 63.546 0.00453952 -3.53584 63.546000 Cu 0.49247 0.00419369 0.5 549 63.546 0.0160153 -3.5339 63.546000 Cu 0.483983 0.0268545 0.5 577 63.546 0.00264657 -3.53581 63.546000 Cu 0.53353 0.0157896 9.39169e-17 579 63.546 0.00908733 -3.53225 63.546000 Cu 0.582926 0.00459256 0.5 581 63.546 0.0458628 -3.526 63.546000 Cu 0.574133 0.0277145 0.5 582 63.546 0.0294478 -3.53624 63.546000 Cu 0.623216 0.016849 1 580 63.546 0.100913 -3.53403 63.546000 Cu 0.67222 0.00642699 0.5 583 63.546 0.306743 -3.52304 63.546000 Cu 0.663226 0.0298929 0.5 619 63.546 0.0757931 -3.53941 63.546000 Cu 0.711165 0.020343 2.03407e-16 621 63.546 0.108715 -3.51694 63.546000 Cu 0.810465 0.0032166 2.95766e-16 491 63.546 0.488842 -3.50483 63.546000 Cu 0.851933 0.0146255 0.5 493 63.546 0.0355322 -3.5361 63.546000 Cu 0.801783 0.0248472 1.65073e-16 622 63.546 0.159121 -3.52162 63.546000 Cu 0.760179 0.0125096 0.5 623 63.546 0.575185 -3.46281 63.546000 Cu 0.752178 0.0342127 0.5 624 63.546 0.100476 -3.51612 63.546000 Cu 0.901707 0.00387843 4.85517e-16 492 63.546 0.0213255 -3.53634 63.546000 Cu 0.893178 0.0261419 2.45454e-16 497 63.546 0.0076875 -3.5372 63.546000 Cu 0.983983 0.0268545 2.2449e-16 498 63.546 0.00264657 -3.53581 63.546000 Cu 0.943002 0.0152856 0.5 499 63.546 0.00453952 -3.53584 63.546000 Cu 0.99247 0.00419369 1.22427e-16 501 63.546 0.0160153 -3.5339 63.546000 Cu 0.0653245 0.0507001 1 512 63.546 0.0169319 -3.53956 63.546000 Cu 0.0247469 0.0386252 0.5 513 63.546 0.00783791 -3.53695 63.546000 Cu 0.0160573 0.0613845 0.5 514 63.546 0.00543551 -3.53911 63.546000 Cu 0.114403 0.0401153 0.5 518 63.546 0.0429519 -3.54052 63.546000 Cu 0.105804 0.0631111 0.5 535 63.546 0.0179024 -3.54125 63.546000 Cu 0.154695 0.0529427 1.65313e-16 537 63.546 0.0238472 -3.54095 63.546000 Cu 0.244172 0.0563561 1.39797e-16 538 63.546 0.0237982 -3.53157 63.546000 Cu 0.203319 0.0432245 0.5 539 63.546 0.018989 -3.53458 63.546000 Cu 0.195193 0.0658861 0.5 540 63.546 0.00511505 -3.53823 63.546000 Cu 0.285351 0.0688669 0.5 569 63.546 0.0217338 -3.53445 63.546000 Cu 0.293544 0.0467481 0.5 544 63.546 0.0570176 -3.52976 63.546000 Cu 0.343293 0.0366629 7.28335e-17 542 63.546 0.0292473 -3.53511 63.546000 Cu 0.334871 0.0588074 2.22813e-17 571 63.546 0.0185263 -3.53595 63.546000 Cu 0.425669 0.0601779 1.94063e-17 572 63.546 0.00157266 -3.53813 63.546000 Cu 0.38457 0.0484128 0.5 573 63.546 0.00685841 -3.5374 63.546000 Cu 0.434291 0.0377419 1.52495e-16 575 63.546 0.00237977 -3.53724 63.546000 Cu 0.524747 0.0386252 1 576 63.546 0.00783791 -3.53695 63.546000 Cu 0.475248 0.0494684 0.5 578 63.546 0.00213026 -3.53776 63.546000 Cu 0.516057 0.0613845 1 613 63.546 0.00543551 -3.53911 63.546000 Cu 0.565325 0.0507001 0.5 615 63.546 0.0169319 -3.53956 63.546000 Cu 0.605804 0.0631111 0 614 63.546 0.0179024 -3.54125 63.546000 Cu 0.614403 0.0401153 9.77503e-17 617 63.546 0.0429519 -3.54052 63.546000 Cu 0.703319 0.0432245 1.22547e-16 618 63.546 0.018989 -3.53458 63.546000 Cu 0.654695 0.0529427 0.5 620 63.546 0.0238472 -3.54095 63.546000 Cu 0.695193 0.0658861 4.89949e-17 661 63.546 0.00511505 -3.53823 63.546000 Cu 0.843293 0.0366629 0.5 495 63.546 0.0292473 -3.53511 63.546000 Cu 0.834871 0.0588074 0.5 496 63.546 0.0185263 -3.53595 63.546000 Cu 0.785351 0.0688669 1 662 63.546 0.0217338 -3.53445 63.546000 Cu 0.744172 0.0563561 0.5 663 63.546 0.0237982 -3.53157 63.546000 Cu 0.793544 0.0467481 3.67761e-16 665 63.546 0.0570176 -3.52976 63.546000 Cu 0.88457 0.0484128 1 494 63.546 0.00685841 -3.5374 63.546000 Cu 0.934291 0.0377419 0.5 500 63.546 0.00237977 -3.53724 63.546000 Cu 0.925669 0.0601779 0.5 509 63.546 0.00157266 -3.53813 63.546000 Cu 0.975248 0.0494684 1.85198e-16 511 63.546 0.00213026 -3.53776 63.546000 Cu 0.0482244 0.0963021 2.45214e-16 530 63.546 0.00399408 -3.54089 63.546000 Cu 0.0567322 0.0735449 2.06521e-16 533 63.546 0.00878119 -3.54059 63.546000 Cu 0.0973475 0.0859411 0.5 536 63.546 0.00742735 -3.54122 63.546000 Cu 0.137987 0.0984868 4.80366e-17 563 63.546 0.00311356 -3.54086 63.546000 Cu 0.00748934 0.0840779 0.5 531 63.546 0.00331852 -3.54012 63.546000 Cu 0.146333 0.0757693 1.94063e-17 534 63.546 0.00828383 -3.54086 63.546000 Cu 0.227868 0.10108 1.94063e-17 564 63.546 0.00279659 -3.53845 63.546000 Cu 0.186983 0.0884767 0.5 565 63.546 0.00181079 -3.53941 63.546000 Cu 0.23605 0.078673 1.4375e-18 567 63.546 0.00743613 -3.53643 63.546000 Cu 0.277113 0.0911232 0.5 570 63.546 0.00863581 -3.53703 63.546000 Cu 0.326534 0.0810298 4.07293e-18 568 63.546 0.0093561 -3.53711 63.546000 Cu 0.376082 0.0707132 0.5 574 63.546 0.00461897 -3.53784 63.546000 Cu 0.318226 0.103341 1.81844e-16 605 63.546 0.00458547 -3.5381 63.546000 Cu 0.367686 0.0930586 0.5 607 63.546 0.00256544 -3.53842 63.546000 Cu 0.417174 0.0826209 1.95381e-16 609 63.546 0.000976147 -3.53878 63.546000 Cu 0.507489 0.0840779 3.54584e-17 610 63.546 0.00331852 -3.54012 63.546000 Cu 0.466654 0.0720491 0.5 611 63.546 0.00142724 -3.5391 63.546000 Cu 0.45812 0.0946098 0.5 612 63.546 0.000923965 -3.53955 63.546000 Cu 0.556732 0.0735449 0.5 616 63.546 0.00878119 -3.54059 63.546000 Cu 0.548224 0.0963021 0.5 655 63.546 0.00399408 -3.54089 63.546000 Cu 0.597347 0.0859411 2.45454e-16 657 63.546 0.00742735 -3.54122 63.546000 Cu 0.686983 0.0884767 2.39584e-19 658 63.546 0.00181079 -3.53941 63.546000 Cu 0.646333 0.0757693 0.5 659 63.546 0.00828383 -3.54086 63.546000 Cu 0.637987 0.0984868 0.5 660 63.546 0.00311356 -3.54086 63.546000 Cu 0.826534 0.0810298 0.5 505 63.546 0.0093561 -3.53711 63.546000 Cu 0.818226 0.103341 0.5 506 63.546 0.00458547 -3.5381 63.546000 Cu 0.73605 0.078673 0.5 664 63.546 0.00743613 -3.53643 63.546000 Cu 0.727868 0.10108 0.5 703 63.546 0.00279659 -3.53845 63.546000 Cu 0.777113 0.0911232 2.39584e-19 705 63.546 0.00863581 -3.53703 63.546000 Cu 0.867686 0.0930586 2.39584e-19 504 63.546 0.00256544 -3.53842 63.546000 Cu 0.876082 0.0707132 1 507 63.546 0.00461897 -3.53784 63.546000 Cu 0.966654 0.0720491 1.22547e-16 508 63.546 0.00142724 -3.5391 63.546000 Cu 0.917174 0.0826209 0.5 510 63.546 0.000976147 -3.53878 63.546000 Cu 0.95812 0.0946098 2.39584e-19 529 63.546 0.000923965 -3.53955 63.546000 Cu 0.039866 0.118985 5.53439e-17 559 63.546 0.00186689 -3.5407 63.546000 Cu 0.129776 0.121146 1 560 63.546 0.0011082 -3.54067 63.546000 Cu 0.0889474 0.10868 0.5 561 63.546 0.00294345 -3.54099 63.546000 Cu 0.0807407 0.131348 0.5 562 63.546 0.00113368 -3.54059 63.546000 Cu 0.178782 0.111057 0.5 566 63.546 0.000671567 -3.53997 63.546000 Cu 0.170706 0.13362 0.5 599 63.546 0.000253402 -3.54 63.546000 Cu 0.219755 0.123544 1.12125e-16 601 63.546 0.0012752 -3.53914 63.546000 Cu 0.268917 0.113479 0.5 603 63.546 0.00355364 -3.53823 63.546000 Cu 0.260865 0.135893 0.5 604 63.546 0.00135034 -3.53899 63.546000 Cu 0.310073 0.125718 1.99334e-16 602 63.546 0.00186258 -3.53877 63.546000 Cu 0.408744 0.105071 1.94063e-17 606 63.546 0.000469621 -3.53927 63.546000 Cu 0.359363 0.11545 0.5 608 63.546 0.0012911 -3.53912 63.546000 Cu 0.351243 0.137889 0.5 647 63.546 0.000611199 -3.53932 63.546000 Cu 0.400493 0.127554 2.50964e-16 649 63.546 0.000229614 -3.53985 63.546000 Cu 0.490739 0.129341 2.60308e-16 650 63.546 0.000900019 -3.54037 63.546000 Cu 0.449759 0.117157 0.5 651 63.546 0.000540245 -3.54007 63.546000 Cu 0.499013 0.106727 1.22547e-16 653 63.546 0.00175539 -3.54035 63.546000 Cu 0.539866 0.118985 0.5 656 63.546 0.00186689 -3.5407 63.546000 Cu 0.580741 0.131348 0 697 63.546 0.00113368 -3.54059 63.546000 Cu 0.588947 0.10868 1 654 63.546 0.00294345 -3.54099 63.546000 Cu 0.670706 0.13362 1 698 63.546 0.000253402 -3.54 63.546000 Cu 0.629776 0.121146 0.5 699 63.546 0.0011082 -3.54067 63.546000 Cu 0.678782 0.111057 1 701 63.546 0.000671567 -3.53997 63.546000 Cu 0.719755 0.123544 0.5 704 63.546 0.0012752 -3.53914 63.546000 Cu 0.851243 0.137889 1 523 63.546 0.000611199 -3.53932 63.546000 Cu 0.810073 0.125718 0.5 524 63.546 0.00186258 -3.53877 63.546000 Cu 0.768917 0.113479 1 702 63.546 0.00355364 -3.53823 63.546000 Cu 0.760865 0.135893 3.89324e-17 745 63.546 0.00135034 -3.53899 63.546000 Cu 0.859363 0.11545 1 525 63.546 0.0012911 -3.53912 63.546000 Cu 0.949759 0.117157 9.58336e-19 526 63.546 0.000540245 -3.54007 63.546000 Cu 0.908744 0.105071 0.5 527 63.546 0.000469621 -3.53927 63.546000 Cu 0.900493 0.127554 0.5 528 63.546 0.000229614 -3.53985 63.546000 Cu 0.999013 0.106727 0.5 532 63.546 0.00175539 -3.54035 63.546000 Cu 0.990739 0.129341 0.5 557 63.546 0.000900019 -3.54037 63.546000 Cu 0.0316918 0.141615 1.94063e-17 556 63.546 0.00090297 -3.5404 63.546000 Cu 0.0236825 0.164211 1.22427e-16 593 63.546 0.000584323 -3.54044 63.546000 Cu 0.113795 0.166331 3.70157e-17 594 63.546 0.000232 -3.5402 63.546000 Cu 0.0726723 0.153956 0.5 595 63.546 0.00068799 -3.54022 63.546000 Cu 0.121681 0.143755 1.94063e-17 597 63.546 0.000417186 -3.54026 63.546000 Cu 0.211746 0.14603 2.39584e-19 598 63.546 0.000672862 -3.5396 63.546000 Cu 0.162723 0.156171 0.5 600 63.546 0.000279787 -3.54006 63.546000 Cu 0.20396 0.168537 3.68241e-16 641 63.546 0.000380965 -3.53973 63.546000 Cu 0.252936 0.158348 0.5 643 63.546 0.000595753 -3.53943 63.546000 Cu 0.294239 0.170613 1 642 63.546 0.000214436 -3.53972 63.546000 Cu 0.302054 0.148146 2.28324e-16 645 63.546 0.000721668 -3.53904 63.546000 Cu 0.392356 0.150059 3.68001e-16 646 63.546 0.000251281 -3.53983 63.546000 Cu 0.343258 0.160355 0.5 648 63.546 0.000304344 -3.5396 63.546000 Cu 0.441559 0.139703 0.5 652 63.546 0.000340428 -3.54029 63.546000 Cu 0.433506 0.162262 0.5 691 63.546 0.000208911 -3.54035 63.546000 Cu 0.482576 0.151934 1 693 63.546 0.000451551 -3.54052 63.546000 Cu 0.531692 0.141615 0.5 695 63.546 0.00090297 -3.5404 63.546000 Cu 0.523683 0.164211 0.5 696 63.546 0.000584323 -3.54044 63.546000 Cu 0.572672 0.153956 1.22547e-16 694 63.546 0.00068799 -3.54022 63.546000 Cu 0.621681 0.143755 0.5 700 63.546 0.000417186 -3.54026 63.546000 Cu 0.613795 0.166331 0.5 739 63.546 0.000232 -3.5402 63.546000 Cu 0.662723 0.156171 7.10367e-17 741 63.546 0.000279787 -3.54006 63.546000 Cu 0.711746 0.14603 0.5 743 63.546 0.000672862 -3.5396 63.546000 Cu 0.70396 0.168537 0.5 744 63.546 0.000380965 -3.53973 63.546000 Cu 0.843258 0.160355 1 551 63.546 0.000304344 -3.5396 63.546000 Cu 0.752936 0.158348 1 742 63.546 0.000595753 -3.53943 63.546000 Cu 0.802054 0.148146 0.5 746 63.546 0.000721668 -3.53904 63.546000 Cu 0.794239 0.170613 0.5 786 63.546 0.000214436 -3.53972 63.546000 Cu 0.933506 0.162262 8.10992e-17 552 63.546 0.000208911 -3.54035 63.546000 Cu 0.892356 0.150059 0.5 553 63.546 0.000251281 -3.53983 63.546000 Cu 0.941559 0.139703 2.90016e-16 555 63.546 0.000340428 -3.54029 63.546000 Cu 0.982576 0.151934 0.5 558 63.546 0.000451551 -3.54052 63.546000 Cu 0.0159392 0.186792 2.73964e-16 590 63.546 0.000334941 -3.54051 63.546000 Cu 0.0649126 0.176535 0.5 596 63.546 0.000416757 -3.54048 63.546000 Cu 0.0570826 0.199106 0.5 635 63.546 0.000270533 -3.54042 63.546000 Cu 0.106119 0.188888 1 637 63.546 0.000193509 -3.5401 63.546000 Cu 0.155083 0.178712 0.5 639 63.546 0.000154168 -3.53981 63.546000 Cu 0.147273 0.201223 0.5 640 63.546 0.000109077 -3.5396 63.546000 Cu 0.196321 0.191042 1.22787e-16 638 63.546 0.00018819 -3.53954 63.546000 Cu 0.245304 0.180839 0.5 644 63.546 0.000190148 -3.53962 63.546000 Cu 0.2375 0.20335 0.5 683 63.546 0.000232383 -3.53979 63.546000 Cu 0.384544 0.172585 1 689 63.546 7.66216e-05 -3.54022 63.546000 Cu 0.286547 0.193119 0 685 63.546 0.00017104 -3.53996 63.546000 Cu 0.376764 0.195126 5.80991e-17 686 63.546 0.000138352 -3.54004 63.546000 Cu 0.335571 0.182872 0.5 687 63.546 0.000190074 -3.54008 63.546000 Cu 0.327674 0.205405 0.5 688 63.546 0.000174729 -3.53996 63.546000 Cu 0.425797 0.184828 0.5 692 63.546 0.000102848 -3.54005 63.546000 Cu 0.474732 0.174514 1.70584e-16 690 63.546 0.000132406 -3.54035 63.546000 Cu 0.466925 0.197086 4.04418e-16 733 63.546 0.000136957 -3.54027 63.546000 Cu 0.557083 0.199106 1.94063e-17 734 63.546 0.000270533 -3.54042 63.546000 Cu 0.515939 0.186792 0.5 735 63.546 0.000334941 -3.54051 63.546000 Cu 0.564913 0.176535 8.76878e-17 737 63.546 0.000416757 -3.54048 63.546000 Cu 0.655083 0.178712 1.90709e-16 738 63.546 0.000154168 -3.53981 63.546000 Cu 0.606119 0.188888 0.5 740 63.546 0.000193509 -3.5401 63.546000 Cu 0.647273 0.201223 2.41022e-16 781 63.546 0.000109077 -3.5396 63.546000 Cu 0.696321 0.191042 0.5 783 63.546 0.00018819 -3.53954 63.546000 Cu 0.835571 0.182872 2.78516e-16 550 63.546 0.000190074 -3.54008 63.546000 Cu 0.827674 0.205405 1.22547e-16 585 63.546 0.000174729 -3.53996 63.546000 Cu 0.7375 0.20335 1.94063e-17 782 63.546 0.000232383 -3.53979 63.546000 Cu 0.745304 0.180839 2.45214e-16 785 63.546 0.000190148 -3.53962 63.546000 Cu 0.786547 0.193119 0.5 787 63.546 0.00017104 -3.53996 63.546000 Cu 0.884544 0.172585 0.5 554 63.546 7.66216e-05 -3.54022 63.546000 Cu 0.876764 0.195126 0.5 587 63.546 0.000138352 -3.54004 63.546000 Cu 0.925797 0.184828 2.45214e-16 589 63.546 0.000102848 -3.54005 63.546000 Cu 0.974732 0.174514 0.5 591 63.546 0.000132406 -3.54035 63.546000 Cu 0.966925 0.197086 0.5 592 63.546 0.000136957 -3.54027 63.546000 Cu 0.0981363 0.211418 0 634 63.546 0.000175786 -3.53997 63.546000 Cu 0.0489753 0.221661 0.5 636 63.546 9.16833e-05 -3.54011 63.546000 Cu 0.0899636 0.233954 1.22547e-16 677 63.546 9.6735e-05 -3.54013 63.546000 Cu 0.139157 0.223724 0.5 679 63.546 0.000135595 -3.53984 63.546000 Cu 0.00799449 0.209375 2.45094e-16 633 63.546 0.000115304 -3.54025 63.546000 Cu 0.180169 0.236038 1.86037e-16 678 63.546 7.14709e-05 -3.53968 63.546000 Cu 0.188374 0.21354 0 681 63.546 8.74616e-05 -3.53956 63.546000 Cu 0.278554 0.215648 1.19792e-19 682 63.546 0.000153573 -3.53992 63.546000 Cu 0.229376 0.22586 0.5 684 63.546 7.21377e-05 -3.53973 63.546000 Cu 0.270363 0.238184 2.39584e-19 725 63.546 0.000204389 -3.54004 63.546000 Cu 0.360514 0.240238 1.99454e-16 726 63.546 6.14926e-05 -3.54009 63.546000 Cu 0.319525 0.227948 0.5 727 63.546 0.000111982 -3.54017 63.546000 Cu 0.368691 0.217675 1 729 63.546 4.71524e-05 -3.54012 63.546000 Cu 0.417847 0.207391 0.5 731 63.546 7.38201e-05 -3.54022 63.546000 Cu 0.409662 0.22996 0.5 732 63.546 4.2021e-05 -3.54021 63.546000 Cu 0.458868 0.21966 1 730 63.546 5.75811e-05 -3.54025 63.546000 Cu 0.507994 0.209375 0.5 736 63.546 0.000115304 -3.54025 63.546000 Cu 0.499817 0.23194 0.5 775 63.546 2.23598e-05 -3.54017 63.546000 Cu 0.548975 0.221661 2.45454e-16 777 63.546 9.16833e-05 -3.54011 63.546000 Cu 0.639157 0.223724 1.99693e-16 778 63.546 0.000135595 -3.53984 63.546000 Cu 0.598136 0.211418 0.5 779 63.546 0.000175786 -3.53997 63.546000 Cu 0.589964 0.233954 0.5 780 63.546 9.6735e-05 -3.54013 63.546000 Cu 0.688374 0.21354 0.5 784 63.546 8.74616e-05 -3.53956 63.546000 Cu 0.680169 0.236038 0.5 823 63.546 7.14709e-05 -3.53968 63.546000 Cu 0.819525 0.227948 7.30731e-18 584 63.546 0.000111982 -3.54017 63.546000 Cu 0.729376 0.22586 1 825 63.546 7.21377e-05 -3.53973 63.546000 Cu 0.778554 0.215648 0.5 826 63.546 0.000153573 -3.53992 63.546000 Cu 0.770363 0.238184 0.5 827 63.546 0.000204389 -3.54004 63.546000 Cu 0.868691 0.217675 0.5 588 63.546 4.71524e-05 -3.54012 63.546000 Cu 0.860514 0.240238 0.5 627 63.546 6.14926e-05 -3.54009 63.546000 Cu 0.917847 0.207391 1 586 63.546 7.38201e-05 -3.54022 63.546000 Cu 0.909662 0.22996 1.94063e-17 629 63.546 4.2021e-05 -3.54021 63.546000 Cu 0.999817 0.23194 2.45094e-16 630 63.546 2.23598e-05 -3.54017 63.546000 Cu 0.958868 0.21966 0.5 631 63.546 5.75811e-05 -3.54025 63.546000 Cu 0.0817897 0.256495 0 674 63.546 4.78972e-05 -3.54003 63.546000 Cu 0.0408058 0.244219 0.5 675 63.546 1.99952e-05 -3.54014 63.546000 Cu 0.0325917 0.266772 0.5 676 63.546 1.94405e-05 -3.54012 63.546000 Cu 0.130952 0.24624 0.5 680 63.546 0.000221097 -3.53993 63.546000 Cu 0.122745 0.26877 0.5 719 63.546 0.000181327 -3.53992 63.546000 Cu 0.171951 0.258541 1.33927e-16 721 63.546 0.000251493 -3.5398 63.546000 Cu 0.262165 0.260704 1.22667e-16 722 63.546 0.000154317 -3.53973 63.546000 Cu 0.22117 0.248364 0.5 723 63.546 1.00197e-05 -3.53977 63.546000 Cu 0.212934 0.270862 0.5 724 63.546 0.000123685 -3.53958 63.546000 Cu 0.311346 0.250498 0.5 728 63.546 0.00025427 -3.54002 63.546000 Cu 0.30314 0.273019 0.5 767 63.546 0.00018409 -3.53989 63.546000 Cu 0.352327 0.262792 3.67881e-16 769 63.546 0.000144206 -3.54018 63.546000 Cu 0.401485 0.252521 0.5 771 63.546 3.93675e-05 -3.54019 63.546000 Cu 0.393325 0.275089 0.5 772 63.546 0.000161107 -3.54039 63.546000 Cu 0.442461 0.264798 2.7624e-16 770 63.546 2.34075e-05 -3.54025 63.546000 Cu 0.450636 0.242228 1 773 63.546 8.34667e-06 -3.54018 63.546000 Cu 0.540806 0.244219 1.22787e-16 774 63.546 1.99952e-05 -3.54014 63.546000 Cu 0.491646 0.254498 0.5 776 63.546 2.8286e-05 -3.54023 63.546000 Cu 0.532592 0.266772 1 817 63.546 1.94405e-05 -3.54012 63.546000 Cu 0.58179 0.256495 0.5 819 63.546 4.78972e-05 -3.54003 63.546000 Cu 0.622745 0.26877 1.23026e-16 818 63.546 0.000181327 -3.53992 63.546000 Cu 0.630952 0.24624 2.39584e-19 821 63.546 0.000221097 -3.53993 63.546000 Cu 0.671951 0.258541 0.5 824 63.546 0.000251493 -3.5398 63.546000 Cu 0.712934 0.270862 1 865 63.546 0.000123685 -3.53958 63.546000 Cu 0.72117 0.248364 1.85678e-16 822 63.546 1.00197e-05 -3.53977 63.546000 Cu 0.811346 0.250498 1 625 63.546 0.00025427 -3.54002 63.546000 Cu 0.852327 0.262792 0.5 628 63.546 0.000144206 -3.54018 63.546000 Cu 0.80314 0.273019 1 866 63.546 0.00018409 -3.53989 63.546000 Cu 0.762165 0.260704 0.5 867 63.546 0.000154317 -3.53973 63.546000 Cu 0.901485 0.252521 1.45308e-16 626 63.546 3.93675e-05 -3.54019 63.546000 Cu 0.950636 0.242228 0.5 632 63.546 8.34667e-06 -3.54018 63.546000 Cu 0.893325 0.275089 1 669 63.546 0.000161107 -3.54039 63.546000 Cu 0.942461 0.264798 0.5 671 63.546 2.34075e-05 -3.54025 63.546000 Cu 0.991646 0.254498 1 673 63.546 2.8286e-05 -3.54023 63.546000 Cu 0.065483 0.301572 2.04365e-16 714 63.546 0.000175643 -3.53995 63.546000 Cu 0.0244104 0.289333 0.5 715 63.546 8.89659e-05 -3.54019 63.546000 Cu 0.0735739 0.279041 1 717 63.546 5.91413e-05 -3.54008 63.546000 Cu 0.114635 0.29129 0.5 720 63.546 0.000197278 -3.53991 63.546000 Cu 0.155756 0.303541 5.39064e-18 761 63.546 0.000699634 -3.53967 63.546000 Cu 0.163782 0.281046 1.79568e-16 718 63.546 0.000418006 -3.53968 63.546000 Cu 0.24601 0.305696 1 762 63.546 0.000190714 -3.53939 63.546000 Cu 0.204877 0.293351 0.5 763 63.546 0.000322805 -3.53946 63.546000 Cu 0.253996 0.283199 1 765 63.546 5.24753e-05 -3.53957 63.546000 Cu 0.29509 0.295537 0.5 768 63.546 0.000125424 -3.53989 63.546000 Cu 0.344184 0.285343 1.22547e-16 766 63.546 0.000258791 -3.54026 63.546000 Cu 0.336186 0.307898 0 809 63.546 0.00038845 -3.54025 63.546000 Cu 0.42628 0.309973 2.43897e-16 810 63.546 0.000444396 -3.5404 63.546000 Cu 0.38521 0.297669 0.5 811 63.546 0.000440784 -3.54031 63.546000 Cu 0.434303 0.287378 1 813 63.546 0.000122987 -3.54036 63.546000 Cu 0.52441 0.289333 1 814 63.546 8.89659e-05 -3.54019 63.546000 Cu 0.483416 0.277066 0.5 815 63.546 3.79228e-05 -3.54019 63.546000 Cu 0.475306 0.299651 0.5 816 63.546 0.000153041 -3.5403 63.546000 Cu 0.565483 0.301572 0.5 859 63.546 0.000175643 -3.53995 63.546000 Cu 0.573574 0.279041 0.5 820 63.546 5.91413e-05 -3.54008 63.546000 Cu 0.614635 0.29129 1 861 63.546 0.000197278 -3.53991 63.546000 Cu 0.704877 0.293351 1 862 63.546 0.000322805 -3.53946 63.546000 Cu 0.663782 0.281046 0.5 863 63.546 0.000418006 -3.53968 63.546000 Cu 0.655756 0.303541 0.5 864 63.546 0.000699634 -3.53967 63.546000 Cu 0.844184 0.285343 0.5 667 63.546 0.000258791 -3.54026 63.546000 Cu 0.836186 0.307898 0.5 668 63.546 0.00038845 -3.54025 63.546000 Cu 0.753996 0.283199 0.5 868 63.546 5.24753e-05 -3.53957 63.546000 Cu 0.74601 0.305696 0.5 905 63.546 0.000190714 -3.53939 63.546000 Cu 0.79509 0.295537 1 907 63.546 0.000125424 -3.53989 63.546000 Cu 0.88521 0.297669 2.39584e-19 666 63.546 0.000440784 -3.54031 63.546000 Cu 0.983416 0.277066 1 670 63.546 3.79228e-05 -3.54019 63.546000 Cu 0.934303 0.287378 0.5 672 63.546 0.000122987 -3.54036 63.546000 Cu 0.92628 0.309973 0.5 711 63.546 0.000444396 -3.5404 63.546000 Cu 0.975306 0.299651 1 713 63.546 0.000153041 -3.5403 63.546000 Cu 0.0164087 0.311894 0.5 716 63.546 0.000191653 -3.54015 63.546000 Cu 0.0576769 0.324104 2.39584e-19 757 63.546 0.000174061 -3.54001 63.546000 Cu 0.10667 0.313798 0.5 759 63.546 0.000435106 -3.53982 63.546000 Cu 0.0990462 0.336287 0.5 760 63.546 0.000554031 -3.5396 63.546000 Cu 0.00868968 0.334458 0.5 755 63.546 0.000189923 -3.54026 63.546000 Cu 0.148042 0.32602 2.39584e-19 758 63.546 0.00101418 -3.53947 63.546000 Cu 0.197019 0.315827 0.5 764 63.546 0.000882874 -3.5392 63.546000 Cu 0.189452 0.338294 0.5 803 63.546 0.00174692 -3.53904 63.546000 Cu 0.238366 0.328181 1 805 63.546 0.00048917 -3.53922 63.546000 Cu 0.279699 0.34062 0.5 808 63.546 0.000345363 -3.53964 63.546000 Cu 0.287238 0.318067 0.5 807 63.546 0.000278711 -3.53979 63.546000 Cu 0.328471 0.330485 1.94063e-17 806 63.546 0.000853589 -3.5402 63.546000 Cu 0.377315 0.320255 0.5 812 63.546 0.000712939 -3.54054 63.546000 Cu 0.369664 0.342887 0.5 851 63.546 0.00159013 -3.54055 63.546000 Cu 0.418516 0.332579 4.81803e-16 853 63.546 0.000764466 -3.54061 63.546000 Cu 0.50869 0.334458 1.97537e-16 854 63.546 0.000189923 -3.54026 63.546000 Cu 0.467443 0.322244 0.5 855 63.546 0.000347402 -3.54037 63.546000 Cu 0.516409 0.311894 0 857 63.546 0.000191653 -3.54015 63.546000 Cu 0.557677 0.324104 0.5 860 63.546 0.000174061 -3.54001 63.546000 Cu 0.60667 0.313798 2.82709e-17 858 63.546 0.000435106 -3.53982 63.546000 Cu 0.599046 0.336287 9.3318e-17 899 63.546 0.000554031 -3.5396 63.546000 Cu 0.689452 0.338294 9.82295e-17 900 63.546 0.00174692 -3.53904 63.546000 Cu 0.648042 0.32602 0.5 901 63.546 0.00101418 -3.53947 63.546000 Cu 0.697019 0.315827 1 903 63.546 0.000882874 -3.5392 63.546000 Cu 0.828471 0.330485 0.5 707 63.546 0.000853589 -3.5402 63.546000 Cu 0.787238 0.318067 1 904 63.546 0.000278711 -3.53979 63.546000 Cu 0.738366 0.328181 0.5 906 63.546 0.00048917 -3.53922 63.546000 Cu 0.779699 0.34062 1.94063e-17 937 63.546 0.000345363 -3.53964 63.546000 Cu 0.869664 0.342887 3.06668e-16 706 63.546 0.00159013 -3.54055 63.546000 Cu 0.877315 0.320255 7.36721e-17 709 63.546 0.000712939 -3.54054 63.546000 Cu 0.967443 0.322244 1 710 63.546 0.000347402 -3.54037 63.546000 Cu 0.918516 0.332579 0.5 712 63.546 0.000764466 -3.54061 63.546000 Cu 0.0500411 0.346623 1 754 63.546 0.000288961 -3.53991 63.546000 Cu 0.0425125 0.369137 2.03766e-16 797 63.546 0.000479273 -3.53981 63.546000 Cu 0.133008 0.370888 4.79168e-19 798 63.546 0.00408877 -3.53829 63.546000 Cu 0.091503 0.358749 0.5 799 63.546 0.00119365 -3.53919 63.546000 Cu 0.140487 0.348468 4.79168e-19 801 63.546 0.00215866 -3.53893 63.546000 Cu 0.00110811 0.357032 0.5 756 63.546 0.000352082 -3.5403 63.546000 Cu 0.230832 0.350677 1 802 63.546 0.00102711 -3.53895 63.546000 Cu 0.181946 0.360729 0.5 804 63.546 0.00375662 -3.53832 63.546000 Cu 0.223433 0.373146 2.39584e-19 845 63.546 0.00264659 -3.53793 63.546000 Cu 0.272174 0.363176 0.5 847 63.546 0.000546723 -3.53949 63.546000 Cu 0.313442 0.375755 6.79221e-17 846 63.546 0.00375882 -3.54047 63.546000 Cu 0.320942 0.353105 1 849 63.546 0.00178217 -3.54034 63.546000 Cu 0.410932 0.35523 2.63183e-16 850 63.546 0.00166444 -3.54074 63.546000 Cu 0.362171 0.365559 0.5 852 63.546 0.00343965 -3.54095 63.546000 Cu 0.403354 0.377917 2.45214e-16 891 63.546 0.00340675 -3.54082 63.546000 Cu 0.459762 0.344846 0.5 856 63.546 0.000669847 -3.54055 63.546000 Cu 0.45219 0.367483 0.5 893 63.546 0.00142875 -3.54048 63.546000 Cu 0.501108 0.357032 2.56475e-16 895 63.546 0.000352082 -3.5403 63.546000 Cu 0.550041 0.346623 0.5 897 63.546 0.000288961 -3.53991 63.546000 Cu 0.542512 0.369137 0.5 898 63.546 0.000479273 -3.53981 63.546000 Cu 0.591503 0.358749 2.44855e-16 896 63.546 0.00119365 -3.53919 63.546000 Cu 0.640487 0.348468 0.5 902 63.546 0.00215866 -3.53893 63.546000 Cu 0.633008 0.370888 0.5 931 63.546 0.00408877 -3.53829 63.546000 Cu 0.681946 0.360729 1.74657e-16 933 63.546 0.00375662 -3.53832 63.546000 Cu 0.723433 0.373146 0.5 936 63.546 0.00264659 -3.53793 63.546000 Cu 0.820942 0.353105 0.5 708 63.546 0.00178217 -3.54034 63.546000 Cu 0.813442 0.375755 0.5 748 63.546 0.00375882 -3.54047 63.546000 Cu 0.772174 0.363176 1 934 63.546 0.000546723 -3.53949 63.546000 Cu 0.730832 0.350677 0.5 935 63.546 0.00102711 -3.53895 63.546000 Cu 0.959762 0.344846 1 753 63.546 0.000669847 -3.54055 63.546000 Cu 0.862171 0.365559 2.89418e-16 749 63.546 0.00343965 -3.54095 63.546000 Cu 0.95219 0.367483 1 750 63.546 0.00142875 -3.54048 63.546000 Cu 0.910932 0.35523 0.5 751 63.546 0.00166444 -3.54074 63.546000 Cu 0.903354 0.377917 0.5 752 63.546 0.00340675 -3.54082 63.546000 Cu 0.0348247 0.391631 1 794 63.546 0.000893248 -3.53953 63.546000 Cu 0.0840047 0.381185 0.5 800 63.546 0.0024393 -3.53891 63.546000 Cu 0.0762164 0.40357 0.5 839 63.546 0.00420619 -3.53853 63.546000 Cu 0.125491 0.393234 1 841 63.546 0.00894092 -3.53749 63.546000 Cu 0.216078 0.39558 9.51149e-17 842 63.546 0.00728999 -3.53604 63.546000 Cu 0.17459 0.383122 0.5 843 63.546 0.00817941 -3.53704 63.546000 Cu 0.167046 0.405409 0.5 844 63.546 0.0207435 -3.53466 63.546000 Cu 0.264795 0.385748 0.5 848 63.546 0.00141787 -3.53871 63.546000 Cu 0.257297 0.408357 0.5 885 63.546 0.00469727 -3.53767 63.546000 Cu 0.305906 0.398472 1.22547e-16 887 63.546 0.00859651 -3.54037 63.546000 Cu 0.395565 0.400686 1.94063e-17 888 63.546 0.00776828 -3.54064 63.546000 Cu 0.354569 0.388289 0.5 889 63.546 0.00751832 -3.54099 63.546000 Cu 0.346801 0.411124 0.5 890 63.546 0.0165008 -3.54106 63.546000 Cu 0.493479 0.379615 3.67522e-16 892 63.546 0.00079946 -3.54012 63.546000 Cu 0.444486 0.39015 0.5 894 63.546 0.00285662 -3.54031 63.546000 Cu 0.436597 0.412878 0.5 923 63.546 0.00511379 -3.53958 63.546000 Cu 0.485664 0.402207 4.90429e-16 925 63.546 0.00129349 -3.53955 63.546000 Cu 0.534825 0.391631 0.5 927 63.546 0.000893248 -3.53953 63.546000 Cu 0.576216 0.40357 1.42073e-16 926 63.546 0.00420619 -3.53853 63.546000 Cu 0.584005 0.381185 4.67548e-16 929 63.546 0.0024393 -3.53891 63.546000 Cu 0.67459 0.383122 2.23891e-16 930 63.546 0.00817941 -3.53704 63.546000 Cu 0.625491 0.393234 0.5 932 63.546 0.00894092 -3.53749 63.546000 Cu 0.667046 0.405409 1.94063e-17 955 63.546 0.0207435 -3.53466 63.546000 Cu 0.716078 0.39558 0.5 957 63.546 0.00728999 -3.53604 63.546000 Cu 0.854569 0.388289 0 747 63.546 0.00751832 -3.54099 63.546000 Cu 0.846801 0.411124 1 789 63.546 0.0165008 -3.54106 63.546000 Cu 0.757297 0.408357 1.94063e-17 956 63.546 0.00469727 -3.53767 63.546000 Cu 0.764795 0.385748 1 959 63.546 0.00141787 -3.53871 63.546000 Cu 0.805906 0.398472 0.5 960 63.546 0.00859651 -3.54037 63.546000 Cu 0.993479 0.379615 0.5 795 63.546 0.00079946 -3.54012 63.546000 Cu 0.936597 0.412878 2.39584e-19 790 63.546 0.00511379 -3.53958 63.546000 Cu 0.895565 0.400686 0.5 791 63.546 0.00776828 -3.54064 63.546000 Cu 0.944486 0.39015 1 793 63.546 0.00285662 -3.54031 63.546000 Cu 0.985664 0.402207 0.5 796 63.546 0.00129349 -3.53955 63.546000 Cu 0.0189476 0.436597 1 834 63.546 0.00213399 -3.53794 63.546000 Cu 0.0269398 0.414121 2.39584e-19 837 63.546 0.00151975 -3.53896 63.546000 Cu 0.117761 0.415494 2.0748e-16 838 63.546 0.0171782 -3.53629 63.546000 Cu 0.0683886 0.425908 0.5 840 63.546 0.00621767 -3.53777 63.546000 Cu 0.109962 0.437645 1 879 63.546 0.0288372 -3.53506 63.546000 Cu 0.0603662 0.44819 0.5 877 63.546 0.00663985 -3.53769 63.546000 Cu 0.159441 0.427543 0.5 881 63.546 0.0556676 -3.52942 63.546000 Cu 0.201189 0.440045 1.96938e-16 880 63.546 0.106164 -3.51494 63.546000 Cu 0.208592 0.417909 5.39064e-17 883 63.546 0.0244704 -3.53086 63.546000 Cu 0.249796 0.431029 0.5 886 63.546 0.018815 -3.53354 63.546000 Cu 0.29819 0.421308 1.89391e-16 884 63.546 0.0237721 -3.54061 63.546000 Cu 0.290226 0.444359 1.14761e-16 917 63.546 0.0750759 -3.53879 63.546000 Cu 0.379347 0.446543 3.81777e-16 918 63.546 0.0270927 -3.53667 63.546000 Cu 0.338791 0.434129 0.5 919 63.546 0.0400023 -3.54046 63.546000 Cu 0.387618 0.423554 4.52814e-17 921 63.546 0.0155323 -3.5399 63.546000 Cu 0.428502 0.435663 0.5 924 63.546 0.00755538 -3.53773 63.546000 Cu 0.477712 0.424831 1 922 63.546 0.00212508 -3.53862 63.546000 Cu 0.52694 0.414121 0.5 928 63.546 0.00151975 -3.53896 63.546000 Cu 0.46952 0.447468 1.94063e-17 947 63.546 0.00290441 -3.53646 63.546000 Cu 0.518948 0.436597 0.5 949 63.546 0.00213399 -3.53794 63.546000 Cu 0.568389 0.425908 1.94063e-17 951 63.546 0.00621767 -3.53777 63.546000 Cu 0.560366 0.44819 2.49766e-16 948 63.546 0.00663985 -3.53769 63.546000 Cu 0.659441 0.427543 5.67814e-17 952 63.546 0.0556676 -3.52942 63.546000 Cu 0.617761 0.415494 0.5 953 63.546 0.0171782 -3.53629 63.546000 Cu 0.609962 0.437645 0.5 954 63.546 0.0288372 -3.53506 63.546000 Cu 0.708592 0.417909 0.5 958 63.546 0.0244704 -3.53086 63.546000 Cu 0.701189 0.440045 0.5 970 63.546 0.106164 -3.51494 63.546000 Cu 0.838791 0.434129 0 788 63.546 0.0400023 -3.54046 63.546000 Cu 0.749796 0.431029 1.22547e-16 972 63.546 0.018815 -3.53354 63.546000 Cu 0.79819 0.421308 0.5 973 63.546 0.0237721 -3.54061 63.546000 Cu 0.790226 0.444359 0.5 974 63.546 0.0750759 -3.53879 63.546000 Cu 0.887618 0.423554 0.5 792 63.546 0.0155323 -3.5399 63.546000 Cu 0.879347 0.446543 0.5 831 63.546 0.0270927 -3.53667 63.546000 Cu 0.928502 0.435663 1 833 63.546 0.00755538 -3.53773 63.546000 Cu 0.977712 0.424831 0.5 835 63.546 0.00212508 -3.53862 63.546000 Cu 0.96952 0.447468 0.5 836 63.546 0.00290441 -3.53646 63.546000 Cu 0.101856 0.459697 3.67522e-16 876 63.546 0.0333317 -3.53634 63.546000 Cu 0.0522478 0.470459 0.5 878 63.546 0.0212103 -3.53674 63.546000 Cu 0.00384505 0.481555 7.04377e-17 872 63.546 0.0537332 -3.53853 63.546000 Cu 0.0107185 0.459049 1 875 63.546 0.00432858 -3.53644 63.546000 Cu 0.0943797 0.481739 4.39397e-16 909 63.546 0.0873877 -3.5369 63.546000 Cu 0.151765 0.449447 0.5 882 63.546 0.158672 -3.52117 63.546000 Cu 0.143546 0.471061 0.5 911 63.546 0.504888 -3.50394 63.546000 Cu 0.193684 0.46175 3.35418e-18 913 63.546 0.600537 -3.45882 63.546000 Cu 0.281746 0.467839 1.67709e-18 914 63.546 0.303023 -3.52282 63.546000 Cu 0.242521 0.453921 0.5 915 63.546 0.111401 -3.51533 63.546000 Cu 0.235601 0.477535 0.5 916 63.546 5.40099 -3.41806 63.546000 Cu 0.184295 0.482551 9.19404e-16 910 63.546 7.14454 -3.25394 63.546000 Cu 0.330507 0.457399 0.5 920 63.546 0.0958241 -3.53377 63.546000 Cu 0.322329 0.481103 0.5 941 63.546 0.293324 -3.50272 63.546000 Cu 0.371016 0.469683 1.34047e-16 943 63.546 0.0455119 -3.52661 63.546000 Cu 0.42019 0.4585 0.5 945 63.546 0.00913443 -3.53301 63.546000 Cu 0.412997 0.481399 0.5 946 63.546 0.0565042 -3.53381 63.546000 Cu 0.461464 0.470129 1 944 63.546 0.0170037 -3.53461 63.546000 Cu 0.510719 0.459049 0.5 950 63.546 0.00432858 -3.53644 63.546000 Cu 0.503845 0.481555 0.5 963 63.546 0.0537332 -3.53853 63.546000 Cu 0.552248 0.470459 1 964 63.546 0.0212103 -3.53674 63.546000 Cu 0.643546 0.471061 4.64793e-17 965 63.546 0.504888 -3.50394 63.546000 Cu 0.601856 0.459697 0.5 966 63.546 0.0333317 -3.53634 63.546000 Cu 0.651765 0.449447 2.88819e-16 968 63.546 0.158672 -3.52117 63.546000 Cu 0.693684 0.46175 0.5 971 63.546 0.600537 -3.45882 63.546000 Cu 0.684295 0.482551 0.5 94 63.546 7.14454 -3.25394 63.546000 Cu 0.59438 0.481739 0.5 967 63.546 0.0873877 -3.5369 63.546000 Cu 0.781746 0.467839 0.5 15 63.546 0.303023 -3.52282 63.546000 Cu 0.735601 0.477535 1 60 63.546 5.40099 -3.41806 63.546000 Cu 0.822329 0.481103 0 828 63.546 0.293324 -3.50272 63.546000 Cu 0.830507 0.457399 1.94063e-17 829 63.546 0.0958241 -3.53377 63.546000 Cu 0.742521 0.453921 1.94063e-17 969 63.546 0.111401 -3.51533 63.546000 Cu 0.871016 0.469683 0.5 832 63.546 0.0455119 -3.52661 63.546000 Cu 0.92019 0.4585 1.22547e-16 830 63.546 0.00913443 -3.53301 63.546000 Cu 0.912997 0.481399 1.22547e-16 871 63.546 0.0565042 -3.53381 63.546000 Cu 0.961464 0.470129 0.5 873 63.546 0.0170037 -3.53461 63.546000 Cu 0.0947011 0.503854 3.67282e-16 1 63.546 0.0817437 -3.537 63.546000 Cu 0.0040676 0.50407 1.94063e-17 4 63.546 0.0540467 -3.53844 63.546000 Cu 0.0527071 0.515148 0.5 6 63.546 0.021678 -3.53637 63.546000 Cu 0.048298 0.492803 0.5 908 63.546 0.0691326 -3.542 63.546000 Cu 0.139413 0.492792 0.5 912 63.546 3.08383 -3.47292 63.546000 Cu 0.144 0.514487 0.5 2 63.546 0.468563 -3.50461 63.546000 Cu 0.184733 0.502957 9.79899e-16 92 63.546 7.15599 -3.2604 63.546000 Cu 0.235914 0.508167 0.5 938 63.546 5.41181 -3.41979 63.546000 Cu 0.270842 0.492816 1.94063e-17 939 63.546 4.29511 -3.53983 63.546000 Cu 0.365424 0.492801 1.94063e-17 940 63.546 0.189275 -3.52406 63.546000 Cu 0.322557 0.504529 0.5 942 63.546 0.298919 -3.50285 63.546000 Cu 0.413226 0.504217 0.5 59 63.546 0.0569362 -3.53339 63.546000 Cu 0.371487 0.515921 1 58 63.546 0.0485051 -3.52596 63.546000 Cu 0.504068 0.50407 0.5 34 63.546 0.0540467 -3.53844 63.546000 Cu 0.46194 0.515488 1 61 63.546 0.0170923 -3.53397 63.546000 Cu 0.457263 0.492814 1 961 63.546 0.0849285 -3.54091 63.546000 Cu 0.548298 0.492803 1 962 63.546 0.0691326 -3.542 63.546000 Cu 0.552707 0.515148 1 32 63.546 0.021678 -3.53637 63.546000 Cu 0.684733 0.502957 0.5 14 63.546 7.15599 -3.2604 63.546000 Cu 0.594701 0.503854 0.5 33 63.546 0.0817437 -3.537 63.546000 Cu 0.644 0.514487 1 35 63.546 0.468563 -3.50461 63.546000 Cu 0.639413 0.492792 1 490 63.546 3.08383 -3.47292 63.546000 Cu 0.735914 0.508167 1 469 63.546 5.41181 -3.41979 63.546000 Cu 0.770842 0.492816 0.5 13 63.546 4.29511 -3.53983 63.546000 Cu 0.822557 0.504529 1 869 63.546 0.298919 -3.50285 63.546000 Cu 0.865424 0.492801 0.5 870 63.546 0.189275 -3.52406 63.546000 Cu 0.913226 0.504217 1 3 63.546 0.0569362 -3.53339 63.546000 Cu 0.96194 0.515488 0.5 7 63.546 0.0170923 -3.53397 63.546000 Cu 0.957263 0.492814 0.5 874 63.546 0.0849285 -3.54091 63.546000 Cu 0.871487 0.515921 0.5 17 63.546 0.0485051 -3.52596 63.546000 Cu 0.011395 0.526559 1.17875e-16 5 63.546 0.0054487 -3.53583 63.546000 Cu 0.102506 0.525887 3.67282e-16 8 63.546 0.0333193 -3.53574 63.546000 Cu 0.111259 0.547923 2.44735e-16 9 63.546 0.0282302 -3.53471 63.546000 Cu 0.0612909 0.53739 0.5 11 63.546 0.00648265 -3.53694 63.546000 Cu 0.0203079 0.549008 2.67376e-16 23 63.546 0.00223049 -3.53714 63.546000 Cu 0.152669 0.536116 0.5 10 63.546 0.151577 -3.52158 63.546000 Cu 0.194299 0.523815 1.22068e-16 93 63.546 0.561795 -3.46438 63.546000 Cu 0.243279 0.531702 0.5 98 63.546 0.101217 -3.5183 63.546000 Cu 0.2024 0.545508 1.94063e-17 134 63.546 0.0968224 -3.51723 63.546000 Cu 0.282289 0.5178 1.34047e-16 95 63.546 0.292181 -3.52236 63.546000 Cu 0.291356 0.541265 1.34886e-16 96 63.546 0.0685351 -3.53977 63.546000 Cu 0.331288 0.528209 0.5 97 63.546 0.0967803 -3.53409 63.546000 Cu 0.380427 0.539055 1 99 63.546 0.0289944 -3.53626 63.546000 Cu 0.420887 0.527101 0.5 64 63.546 0.0103601 -3.53223 63.546000 Cu 0.340278 0.55148 0.5 102 63.546 0.0388192 -3.54038 63.546000 Cu 0.470532 0.538151 1 62 63.546 0.00281502 -3.53558 63.546000 Cu 0.511395 0.526559 0.5 63 63.546 0.0054487 -3.53583 63.546000 Cu 0.520308 0.549008 0.5 68 63.546 0.00223049 -3.53714 63.546000 Cu 0.429928 0.549934 0.5 101 63.546 0.00826407 -3.5368 63.546000 Cu 0.561291 0.53739 1 65 63.546 0.00648265 -3.53694 63.546000 Cu 0.652669 0.536116 1 36 63.546 0.151577 -3.52158 63.546000 Cu 0.694299 0.523815 0.5 37 63.546 0.561795 -3.46438 63.546000 Cu 0.602506 0.525887 0.5 38 63.546 0.0333193 -3.53574 63.546000 Cu 0.611259 0.547923 0.5 67 63.546 0.0282302 -3.53471 63.546000 Cu 0.7024 0.545508 0.5 42 63.546 0.0968224 -3.51723 63.546000 Cu 0.831288 0.528209 1 16 63.546 0.0967803 -3.53409 63.546000 Cu 0.782289 0.5178 0.5 18 63.546 0.292181 -3.52236 63.546000 Cu 0.743279 0.531702 1 39 63.546 0.101217 -3.5183 63.546000 Cu 0.791356 0.541265 0.5 41 63.546 0.0685351 -3.53977 63.546000 Cu 0.840278 0.55148 1 43 63.546 0.0388192 -3.54038 63.546000 Cu 0.920887 0.527101 1 19 63.546 0.0103601 -3.53223 63.546000 Cu 0.929928 0.549934 1 20 63.546 0.00826407 -3.5368 63.546000 Cu 0.970532 0.538151 0.5 21 63.546 0.00281502 -3.53558 63.546000 Cu 0.880427 0.539055 0.5 22 63.546 0.0289944 -3.53626 63.546000 Cu 0.0293875 0.571449 1.22427e-16 24 63.546 0.00150155 -3.53802 63.546000 Cu 0.0702027 0.559664 0.5 25 63.546 0.00610062 -3.53716 63.546000 Cu 0.120107 0.570057 2.45094e-16 27 63.546 0.0164846 -3.53583 63.546000 Cu 0.0792109 0.581973 0.5 30 63.546 0.00403948 -3.53775 63.546000 Cu 0.161186 0.558003 0.5 12 63.546 0.051583 -3.52996 63.546000 Cu 0.169869 0.580128 0.5 29 63.546 0.0189407 -3.5348 63.546000 Cu 0.210764 0.56765 1.22547e-16 135 63.546 0.0229814 -3.53255 63.546000 Cu 0.251403 0.554562 0.5 136 63.546 0.0175598 -3.53545 63.546000 Cu 0.25997 0.577219 0.5 140 63.546 0.00437915 -3.53897 63.546000 Cu 0.389577 0.562039 1.2686e-16 100 63.546 0.0157901 -3.53946 63.546000 Cu 0.300221 0.564298 1 137 63.546 0.0209453 -3.54114 63.546000 Cu 0.349362 0.574459 0.5 139 63.546 0.0162677 -3.54127 63.546000 Cu 0.398738 0.584873 1.22667e-16 141 63.546 0.00843363 -3.54042 63.546000 Cu 0.479579 0.560761 1 103 63.546 0.00223152 -3.53741 63.546000 Cu 0.488734 0.583351 1 104 63.546 0.00135868 -3.5388 63.546000 Cu 0.529387 0.571449 0.5 105 63.546 0.00150155 -3.53802 63.546000 Cu 0.439103 0.572697 0.5 106 63.546 0.00516092 -3.53878 63.546000 Cu 0.570203 0.559664 1 66 63.546 0.00610062 -3.53716 63.546000 Cu 0.661186 0.558003 1 69 63.546 0.051583 -3.52996 63.546000 Cu 0.669869 0.580128 4.79168e-19 70 63.546 0.0189407 -3.5348 63.546000 Cu 0.620107 0.570057 0.5 72 63.546 0.0164846 -3.53583 63.546000 Cu 0.579211 0.581973 1 107 63.546 0.00403948 -3.53775 63.546000 Cu 0.710764 0.56765 0.5 71 63.546 0.0229814 -3.53255 63.546000 Cu 0.751403 0.554562 1 40 63.546 0.0175598 -3.53545 63.546000 Cu 0.800221 0.564298 0.5 46 63.546 0.0209453 -3.54114 63.546000 Cu 0.75997 0.577219 1 73 63.546 0.00437915 -3.53897 63.546000 Cu 0.849362 0.574459 1 44 63.546 0.0162677 -3.54127 63.546000 Cu 0.988734 0.583351 0.5 49 63.546 0.00135868 -3.5388 63.546000 Cu 0.979579 0.560761 0.5 26 63.546 0.00223152 -3.53741 63.546000 Cu 0.889577 0.562039 0.5 45 63.546 0.0157901 -3.53946 63.546000 Cu 0.939103 0.572697 1 47 63.546 0.00516092 -3.53878 63.546000 Cu 0.898738 0.584873 0.5 50 63.546 0.00843363 -3.54042 63.546000 Cu 0.038529 0.593907 1 51 63.546 0.000868981 -3.53883 63.546000 Cu 0.0476922 0.616385 1.94063e-17 52 63.546 0.000634194 -3.53929 63.546000 Cu 0.08832 0.604338 0.5 53 63.546 0.00243514 -3.53859 63.546000 Cu 0.129057 0.592291 1 28 63.546 0.00805528 -3.53707 63.546000 Cu 0.138103 0.614605 1.46386e-16 55 63.546 0.00341548 -3.53808 63.546000 Cu 0.178797 0.602393 0.5 31 63.546 0.00718409 -3.53713 63.546000 Cu 0.219449 0.589966 1 174 63.546 0.00680452 -3.53702 63.546000 Cu 0.2284 0.612363 0 175 63.546 0.00240451 -3.53866 63.546000 Cu 0.268875 0.599801 0.5 176 63.546 0.00150413 -3.5399 63.546000 Cu 0.309146 0.58711 1.22547e-16 138 63.546 0.00708347 -3.54129 63.546000 Cu 0.407954 0.607614 1 142 63.546 0.00421627 -3.54042 63.546000 Cu 0.358493 0.597276 0.5 144 63.546 0.00671363 -3.5411 63.546000 Cu 0.318235 0.609809 2.15865e-16 177 63.546 0.00245526 -3.54088 63.546000 Cu 0.36763 0.619989 0.5 179 63.546 0.0028605 -3.54083 63.546000 Cu 0.538529 0.593907 0.5 110 63.546 0.000868981 -3.53883 63.546000 Cu 0.448301 0.595396 0.5 143 63.546 0.00290965 -3.53958 63.546000 Cu 0.497975 0.60592 1.28896e-16 145 63.546 0.00063478 -3.53934 63.546000 Cu 0.547692 0.616385 0.5 147 63.546 0.000634194 -3.53929 63.546000 Cu 0.457537 0.618037 0.5 148 63.546 0.00161205 -3.53984 63.546000 Cu 0.58832 0.604338 1 108 63.546 0.00243514 -3.53859 63.546000 Cu 0.629057 0.592291 0.5 109 63.546 0.00805528 -3.53707 63.546000 Cu 0.678797 0.602393 1 111 63.546 0.00718409 -3.53713 63.546000 Cu 0.638103 0.614605 0.5 114 63.546 0.00341548 -3.53808 63.546000 Cu 0.768875 0.599801 2.39584e-19 74 63.546 0.00150413 -3.5399 63.546000 Cu 0.809146 0.58711 0.5 75 63.546 0.00708347 -3.54129 63.546000 Cu 0.719449 0.589966 0.5 76 63.546 0.00680452 -3.53702 63.546000 Cu 0.818235 0.609809 0.5 80 63.546 0.00245526 -3.54088 63.546000 Cu 0.7284 0.612363 0.5 113 63.546 0.00240451 -3.53866 63.546000 Cu 0.997975 0.60592 0.5 54 63.546 0.00063478 -3.53934 63.546000 Cu 0.948301 0.595396 1 48 63.546 0.00290965 -3.53958 63.546000 Cu 0.858493 0.597276 6.98387e-17 77 63.546 0.00671363 -3.5411 63.546000 Cu 0.907954 0.607614 0.5 79 63.546 0.00421627 -3.54042 63.546000 Cu 0.957537 0.618037 1 81 63.546 0.00161205 -3.53984 63.546000 Cu 0.86763 0.619989 7.66669e-18 78 63.546 0.0028605 -3.54083 63.546000 Cu 0.0974673 0.626744 0.5 57 63.546 0.00143006 -3.53895 63.546000 Cu 0.00720655 0.628478 0.5 83 63.546 0.000338316 -3.53968 63.546000 Cu 0.0568673 0.638874 2.00053e-17 85 63.546 0.000715669 -3.53946 63.546000 Cu 0.106332 0.649186 0.5 87 63.546 0.000757071 -3.53942 63.546000 Cu 0.0161576 0.651034 0.5 88 63.546 0.000342721 -3.53978 63.546000 Cu 0.147146 0.636982 1 56 63.546 0.00138536 -3.53874 63.546000 Cu 0.187812 0.624737 0.5 214 63.546 0.00244069 -3.53823 63.546000 Cu 0.237393 0.634816 1 215 63.546 0.00121786 -3.53921 63.546000 Cu 0.19665 0.64715 0.5 218 63.546 0.000861368 -3.53913 63.546000 Cu 0.277872 0.62236 0.5 180 63.546 0.000557944 -3.54006 63.546000 Cu 0.3273 0.632452 7.87034e-17 178 63.546 0.0007413 -3.54062 63.546000 Cu 0.376741 0.642631 0.5 184 63.546 0.00170473 -3.54068 63.546000 Cu 0.286824 0.644909 0.5 217 63.546 0.000640971 -3.54022 63.546000 Cu 0.417168 0.630276 1 181 63.546 0.0024566 -3.54045 63.546000 Cu 0.426082 0.652901 1 182 63.546 0.00166074 -3.54041 63.546000 Cu 0.336149 0.655049 1 219 63.546 0.000675554 -3.54053 63.546000 Cu 0.507207 0.628478 1.37282e-16 146 63.546 0.000338316 -3.53968 63.546000 Cu 0.466713 0.640644 0.5 183 63.546 0.00115557 -3.54014 63.546000 Cu 0.516158 0.651034 0 185 63.546 0.000342721 -3.53978 63.546000 Cu 0.556867 0.638874 0.5 152 63.546 0.000715669 -3.53946 63.546000 Cu 0.687812 0.624737 1 112 63.546 0.00244069 -3.53823 63.546000 Cu 0.597467 0.626744 1.43271e-16 149 63.546 0.00143006 -3.53895 63.546000 Cu 0.606332 0.649186 1 150 63.546 0.000757071 -3.53942 63.546000 Cu 0.647146 0.636982 0.5 151 63.546 0.00138536 -3.53874 63.546000 Cu 0.69665 0.64715 7.03179e-17 153 63.546 0.000861368 -3.53913 63.546000 Cu 0.777872 0.62236 1 115 63.546 0.000557944 -3.54006 63.546000 Cu 0.786824 0.644909 1 116 63.546 0.000640971 -3.54022 63.546000 Cu 0.8273 0.632452 0.5 117 63.546 0.0007413 -3.54062 63.546000 Cu 0.737393 0.634816 0.5 118 63.546 0.00121786 -3.53921 63.546000 Cu 0.836149 0.655049 0.5 122 63.546 0.000675554 -3.54053 63.546000 Cu 0.966713 0.640644 2.04844e-17 82 63.546 0.00115557 -3.54014 63.546000 Cu 0.917168 0.630276 0.5 84 63.546 0.0024566 -3.54045 63.546000 Cu 0.876741 0.642631 1 119 63.546 0.00170473 -3.54068 63.546000 Cu 0.926082 0.652901 0.5 121 63.546 0.00166074 -3.54041 63.546000 Cu 0.065511 0.661382 1 86 63.546 0.000356963 -3.53988 63.546000 Cu 0.114862 0.671667 0.5 91 63.546 0.000510555 -3.53993 63.546000 Cu 0.0246024 0.673579 0.5 125 63.546 5.23129e-05 -3.54035 63.546000 Cu 0.0738575 0.683902 1 127 63.546 0.000293079 -3.5401 63.546000 Cu 0.155786 0.659415 1 89 63.546 0.000515361 -3.53949 63.546000 Cu 0.1641 0.681884 2.44855e-16 90 63.546 9.60671e-05 -3.5396 63.546000 Cu 0.246049 0.657287 2.39584e-19 216 63.546 0.000499206 -3.53977 63.546000 Cu 0.205127 0.669601 0.5 256 63.546 0.000257743 -3.53946 63.546000 Cu 0.254315 0.679792 1 257 63.546 0.000135361 -3.53975 63.546000 Cu 0.344402 0.677628 6.60054e-17 220 63.546 7.81507e-05 -3.54003 63.546000 Cu 0.3853 0.665247 0.5 221 63.546 0.000685873 -3.54043 63.546000 Cu 0.295286 0.667447 0.5 222 63.546 0.000210033 -3.5401 63.546000 Cu 0.393559 0.687839 0.5 226 63.546 0.000252137 -3.54026 63.546000 Cu 0.524602 0.673579 1 186 63.546 5.23129e-05 -3.54035 63.546000 Cu 0.475325 0.663234 0.5 188 63.546 0.000567512 -3.54031 63.546000 Cu 0.434407 0.675507 1 223 63.546 0.000676095 -3.54053 63.546000 Cu 0.483644 0.685807 0.5 225 63.546 0.000365894 -3.54037 63.546000 Cu 0.565511 0.661382 0.5 187 63.546 0.000356963 -3.53988 63.546000 Cu 0.655786 0.659415 0.5 156 63.546 0.000515361 -3.53949 63.546000 Cu 0.614862 0.671667 1.19792e-19 189 63.546 0.000510555 -3.53993 63.546000 Cu 0.6641 0.681884 0.5 191 63.546 9.60671e-05 -3.5396 63.546000 Cu 0.573857 0.683902 0.5 192 63.546 0.000293079 -3.5401 63.546000 Cu 0.705127 0.669601 1 154 63.546 0.000257743 -3.53946 63.546000 Cu 0.746049 0.657287 0.5 155 63.546 0.000499206 -3.53977 63.546000 Cu 0.795286 0.667447 1 157 63.546 0.000210033 -3.5401 63.546000 Cu 0.754315 0.679792 0.5 160 63.546 0.000135361 -3.53975 63.546000 Cu 0.844402 0.677628 0.5 159 63.546 7.81507e-05 -3.54003 63.546000 Cu 0.8853 0.665247 1.34407e-16 120 63.546 0.000685873 -3.54043 63.546000 Cu 0.975325 0.663234 9.5594e-17 123 63.546 0.000567512 -3.54031 63.546000 Cu 0.983644 0.685807 9.9068e-17 124 63.546 0.000365894 -3.54037 63.546000 Cu 0.934407 0.675507 0.5 126 63.546 0.000676095 -3.54053 63.546000 Cu 0.893559 0.687839 1 161 63.546 0.000252137 -3.54026 63.546000 Cu 0.0822447 0.706434 1.22787e-16 128 63.546 0.000282827 -3.5399 63.546000 Cu 0.123154 0.694163 0.5 129 63.546 0.000206444 -3.53977 63.546000 Cu 0.0329693 0.696128 0.5 130 63.546 2.67254e-05 -3.54002 63.546000 Cu 0.0412659 0.718684 0.5 167 63.546 4.66184e-05 -3.54014 63.546000 Cu 0.131437 0.716685 0.5 133 63.546 0.000132354 -3.53982 63.546000 Cu 0.172395 0.704382 0 131 63.546 2.81548e-05 -3.53966 63.546000 Cu 0.262576 0.702307 1 258 63.546 6.49492e-05 -3.53982 63.546000 Cu 0.213356 0.692091 0.5 260 63.546 2.54651e-05 -3.53971 63.546000 Cu 0.221567 0.714598 0.5 296 63.546 4.14602e-05 -3.53979 63.546000 Cu 0.303514 0.689986 0.5 259 63.546 7.37521e-05 -3.5398 63.546000 Cu 0.35271 0.700185 1 261 63.546 5.56903e-05 -3.54015 63.546000 Cu 0.361001 0.722725 1.22907e-16 262 63.546 4.96236e-05 -3.53998 63.546000 Cu 0.401946 0.710412 0.5 263 63.546 8.78818e-05 -3.5405 63.546000 Cu 0.311763 0.712518 0.5 264 63.546 4.2006e-05 -3.5399 63.546000 Cu 0.442828 0.69809 1 224 63.546 0.000303846 -3.54049 63.546000 Cu 0.532969 0.696128 2.39584e-19 227 63.546 2.67254e-05 -3.54002 63.546000 Cu 0.541266 0.718684 1 228 63.546 4.66184e-05 -3.54014 63.546000 Cu 0.492099 0.708374 0.5 230 63.546 0.000240402 -3.54024 63.546000 Cu 0.451168 0.720661 1 265 63.546 0.000155884 -3.54035 63.546000 Cu 0.623154 0.694163 2.39584e-19 190 63.546 0.000206444 -3.53977 63.546000 Cu 0.672395 0.704382 0.5 196 63.546 2.81548e-05 -3.53966 63.546000 Cu 0.582245 0.706434 0.5 229 63.546 0.000282827 -3.5399 63.546000 Cu 0.631437 0.716685 1 231 63.546 0.000132354 -3.53982 63.546000 Cu 0.713356 0.692091 1 193 63.546 2.54651e-05 -3.53971 63.546000 Cu 0.803514 0.689986 1 158 63.546 7.37521e-05 -3.5398 63.546000 Cu 0.721567 0.714598 1 194 63.546 4.14602e-05 -3.53979 63.546000 Cu 0.762576 0.702307 0.5 195 63.546 6.49492e-05 -3.53982 63.546000 Cu 0.811763 0.712518 2.39584e-19 197 63.546 4.2006e-05 -3.5399 63.546000 Cu 0.85271 0.700185 0.5 164 63.546 5.56903e-05 -3.54015 63.546000 Cu 0.992099 0.708374 1 165 63.546 0.000240402 -3.54024 63.546000 Cu 0.901946 0.710412 1.22667e-16 162 63.546 8.78818e-05 -3.5405 63.546000 Cu 0.942828 0.69809 0.5 163 63.546 0.000303846 -3.54049 63.546000 Cu 0.951168 0.720661 0.5 168 63.546 0.000155884 -3.54035 63.546000 Cu 0.861001 0.722725 0.5 199 63.546 4.96236e-05 -3.53998 63.546000 Cu 0.000365972 0.730953 1 166 63.546 4.34677e-05 -3.5404 63.546000 Cu 0.0905017 0.72898 1 169 63.546 0.000215855 -3.53995 63.546000 Cu 0.0987273 0.751528 1 170 63.546 0.000100072 -3.53985 63.546000 Cu 0.0495853 0.741258 0.5 172 63.546 0.000115184 -3.54017 63.546000 Cu 0.00862012 0.753552 2.39584e-19 205 63.546 9.44983e-05 -3.54047 63.546000 Cu 0.139723 0.739222 0.5 171 63.546 0.000102 -3.5399 63.546000 Cu 0.180644 0.726904 1 132 63.546 1.19247e-05 -3.53997 63.546000 Cu 0.270807 0.724821 1 297 63.546 1.03665e-05 -3.53974 63.546000 Cu 0.229878 0.737122 0.5 300 63.546 4.25326e-05 -3.5401 63.546000 Cu 0.188893 0.749445 1 336 63.546 5.02027e-05 -3.54022 63.546000 Cu 0.279089 0.747335 3.25714e-16 298 63.546 6.90543e-05 -3.53979 63.546000 Cu 0.410281 0.732964 0.5 268 63.546 0.000125414 -3.54003 63.546000 Cu 0.320063 0.735032 0.5 299 63.546 1.93035e-05 -3.53964 63.546000 Cu 0.369341 0.745248 1.31172e-16 301 63.546 0.000257773 -3.53978 63.546000 Cu 0.328268 0.757534 0.5 304 63.546 0.000200968 -3.5397 63.546000 Cu 0.418508 0.755516 0.5 303 63.546 0.000201526 -3.54019 63.546000 Cu 0.459499 0.743242 3.59376e-19 266 63.546 0.000119717 -3.54034 63.546000 Cu 0.500366 0.730953 0.5 267 63.546 4.34677e-05 -3.5404 63.546000 Cu 0.549585 0.741258 1 269 63.546 0.000115184 -3.54017 63.546000 Cu 0.50862 0.753552 0.5 272 63.546 9.44983e-05 -3.54047 63.546000 Cu 0.639723 0.739222 1 232 63.546 0.000102 -3.5399 63.546000 Cu 0.680644 0.726904 0.5 233 63.546 1.19247e-05 -3.53997 63.546000 Cu 0.590502 0.72898 0.5 234 63.546 0.000215855 -3.53995 63.546000 Cu 0.688893 0.749445 0.5 238 63.546 5.02027e-05 -3.54022 63.546000 Cu 0.598727 0.751528 0.5 271 63.546 0.000100072 -3.53985 63.546000 Cu 0.820063 0.735032 1 198 63.546 1.93035e-05 -3.53964 63.546000 Cu 0.770807 0.724821 0.5 200 63.546 1.03665e-05 -3.53974 63.546000 Cu 0.729878 0.737122 1 235 63.546 4.25326e-05 -3.5401 63.546000 Cu 0.779089 0.747335 0.5 237 63.546 6.90543e-05 -3.53979 63.546000 Cu 0.828268 0.757534 1 239 63.546 0.000200968 -3.5397 63.546000 Cu 0.910281 0.732964 3.66564e-17 201 63.546 0.000125414 -3.54003 63.546000 Cu 0.918508 0.755516 2.39584e-19 202 63.546 0.000201526 -3.54019 63.546000 Cu 0.959499 0.743242 0.5 203 63.546 0.000119717 -3.54034 63.546000 Cu 0.869341 0.745248 0.5 204 63.546 0.000257773 -3.53978 63.546000 Cu 0.016675 0.776149 2.39584e-19 206 63.546 0.000244723 -3.54039 63.546000 Cu 0.0577133 0.763839 0.5 207 63.546 0.000114941 -3.54015 63.546000 Cu 0.106788 0.774091 1 209 63.546 6.11178e-05 -3.54024 63.546000 Cu 0.0657378 0.786425 0.5 212 63.546 0.000213886 -3.54048 63.546000 Cu 0.14785 0.761767 0.5 173 63.546 5.41833e-05 -3.54007 63.546000 Cu 0.155872 0.784319 0.5 211 63.546 0.000113495 -3.54005 63.546000 Cu 0.196964 0.771977 1 337 63.546 4.97034e-05 -3.5399 63.546000 Cu 0.238035 0.759652 0.5 338 63.546 4.27818e-05 -3.53987 63.546000 Cu 0.246047 0.782158 0.5 342 63.546 5.13378e-05 -3.53962 63.546000 Cu 0.377421 0.767775 2.14308e-16 302 63.546 0.00034866 -3.53994 63.546000 Cu 0.287159 0.769836 1 339 63.546 0.000108568 -3.53961 63.546000 Cu 0.295182 0.792332 1 340 63.546 0.000402523 -3.53968 63.546000 Cu 0.336306 0.780042 0.5 341 63.546 0.000455264 -3.53972 63.546000 Cu 0.385411 0.79031 1.22547e-16 343 63.546 0.000427695 -3.53992 63.546000 Cu 0.426507 0.778086 0.5 308 63.546 4.40657e-05 -3.54018 63.546000 Cu 0.467612 0.765838 2.45454e-16 305 63.546 0.000126311 -3.5405 63.546000 Cu 0.475607 0.788424 4.90429e-16 306 63.546 0.000292964 -3.54028 63.546000 Cu 0.516675 0.776149 0.5 307 63.546 0.000244723 -3.54039 63.546000 Cu 0.557713 0.763839 1 270 63.546 0.000114941 -3.54015 63.546000 Cu 0.565738 0.786425 2.54678e-16 309 63.546 0.000213886 -3.54048 63.546000 Cu 0.64785 0.761767 1 273 63.546 5.41833e-05 -3.54007 63.546000 Cu 0.655872 0.784319 1 274 63.546 0.000113495 -3.54005 63.546000 Cu 0.696964 0.771977 0.5 275 63.546 4.97034e-05 -3.5399 63.546000 Cu 0.606788 0.774091 0.5 276 63.546 6.11178e-05 -3.54024 63.546000 Cu 0.738035 0.759652 1 236 63.546 4.27818e-05 -3.53987 63.546000 Cu 0.836306 0.780042 1 240 63.546 0.000455264 -3.53972 63.546000 Cu 0.787159 0.769836 0.5 242 63.546 0.000108568 -3.53961 63.546000 Cu 0.746047 0.782158 1 277 63.546 5.13378e-05 -3.53962 63.546000 Cu 0.795182 0.792332 0.5 279 63.546 0.000402523 -3.53968 63.546000 Cu 0.967612 0.765838 0.5 208 63.546 0.000126311 -3.5405 63.546000 Cu 0.877421 0.767775 0.5 241 63.546 0.00034866 -3.53994 63.546000 Cu 0.926507 0.778086 1 243 63.546 4.40657e-05 -3.54018 63.546000 Cu 0.975607 0.788424 0.5 245 63.546 0.000292964 -3.54028 63.546000 Cu 0.885411 0.79031 0.5 246 63.546 0.000427695 -3.53992 63.546000 Cu 0.114835 0.796666 1 210 63.546 0.000227788 -3.54032 63.546000 Cu 0.0247429 0.798743 1 247 63.546 0.000579063 -3.54049 63.546000 Cu 0.0331117 0.821358 1 248 63.546 0.00113041 -3.54044 63.546000 Cu 0.0739213 0.809029 0.5 249 63.546 0.000638266 -3.54063 63.546000 Cu 0.1231 0.819259 1 251 63.546 0.00046984 -3.54045 63.546000 Cu 0.163967 0.806865 0.5 213 63.546 0.000196518 -3.53992 63.546000 Cu 0.204945 0.794499 1.91667e-17 378 63.546 0.000135633 -3.53969 63.546000 Cu 0.213165 0.817009 1.19792e-19 379 63.546 0.000188804 -3.53951 63.546000 Cu 0.254132 0.804654 0.5 380 63.546 0.000255137 -3.5395 63.546000 Cu 0.262428 0.82712 0.5 384 63.546 0.000856396 -3.53891 63.546000 Cu 0.393628 0.812848 1 344 63.546 0.000353209 -3.53991 63.546000 Cu 0.344374 0.802554 0.5 346 63.546 0.000685114 -3.53976 63.546000 Cu 0.30339 0.814816 1 381 63.546 0.000854154 -3.53925 63.546000 Cu 0.352694 0.825047 0.5 383 63.546 0.000926028 -3.53951 63.546000 Cu 0.524743 0.798743 0.5 312 63.546 0.000579063 -3.54049 63.546000 Cu 0.434584 0.800649 0.5 345 63.546 0.000114155 -3.54 63.546000 Cu 0.483833 0.811005 2.45214e-16 347 63.546 0.000387662 -3.54015 63.546000 Cu 0.533112 0.821358 0.5 349 63.546 0.00113041 -3.54044 63.546000 Cu 0.442957 0.823203 0.5 350 63.546 9.67556e-05 -3.54005 63.546000 Cu 0.573921 0.809029 1 310 63.546 0.000638266 -3.54063 63.546000 Cu 0.614835 0.796666 0.5 311 63.546 0.000227788 -3.54032 63.546000 Cu 0.663967 0.806865 1 313 63.546 0.000196518 -3.53992 63.546000 Cu 0.6231 0.819259 0.5 316 63.546 0.00046984 -3.54045 63.546000 Cu 0.704945 0.794499 0.5 280 63.546 0.000135633 -3.53969 63.546000 Cu 0.713165 0.817009 0.5 315 63.546 0.000188804 -3.53951 63.546000 Cu 0.754132 0.804654 1.94063e-17 278 63.546 0.000255137 -3.5395 63.546000 Cu 0.80339 0.814816 0.5 284 63.546 0.000854154 -3.53925 63.546000 Cu 0.844374 0.802554 1.4375e-18 281 63.546 0.000685114 -3.53976 63.546000 Cu 0.852694 0.825047 1.4375e-17 282 63.546 0.000926028 -3.53951 63.546000 Cu 0.762428 0.82712 2.39584e-19 317 63.546 0.000856396 -3.53891 63.546000 Cu 0.934584 0.800649 1 244 63.546 0.000114155 -3.54 63.546000 Cu 0.983833 0.811005 0.5 250 63.546 0.000387662 -3.54015 63.546000 Cu 0.893628 0.812848 0.5 283 63.546 0.000353209 -3.53991 63.546000 Cu 0.942957 0.823203 2.39584e-19 285 63.546 9.67556e-05 -3.54005 63.546000 Cu 0.0823243 0.831659 0.5 254 63.546 0.00149466 -3.54068 63.546000 Cu 0.0416035 0.843994 1 289 63.546 0.00198647 -3.5405 63.546000 Cu 0.0908326 0.854326 0.5 291 63.546 0.00335348 -3.54083 63.546000 Cu 0.000849386 0.856219 0.5 292 63.546 0.00113874 -3.54018 63.546000 Cu 0.131509 0.841881 5.36668e-17 252 63.546 0.00133042 -3.54069 63.546000 Cu 0.172281 0.829415 0.5 253 63.546 0.000309179 -3.54018 63.546000 Cu 0.180651 0.851983 0.5 255 63.546 0.000733469 -3.53988 63.546000 Cu 0.221501 0.839502 1 416 63.546 0.000632616 -3.53918 63.546000 Cu 0.270776 0.849544 0.5 418 63.546 0.00275897 -3.53823 63.546000 Cu 0.229805 0.861961 1 417 63.546 0.00201084 -3.53823 63.546000 Cu 0.311743 0.837263 7.49898e-17 382 63.546 0.00192684 -3.53877 63.546000 Cu 0.402067 0.835368 1.25901e-16 385 63.546 0.000391079 -3.53983 63.546000 Cu 0.410627 0.857867 1 386 63.546 0.000718292 -3.53949 63.546000 Cu 0.361158 0.847503 0.5 388 63.546 0.00158805 -3.53915 63.546000 Cu 0.320162 0.859655 1 419 63.546 0.00434402 -3.5383 63.546000 Cu 0.492298 0.833598 1 348 63.546 0.000552658 -3.54019 63.546000 Cu 0.541604 0.843994 0.5 354 63.546 0.00198647 -3.5405 63.546000 Cu 0.451483 0.845764 0.5 387 63.546 0.000244282 -3.53997 63.546000 Cu 0.500849 0.856219 1 389 63.546 0.00113874 -3.54018 63.546000 Cu 0.672281 0.829415 1 314 63.546 0.000309179 -3.54018 63.546000 Cu 0.582324 0.831659 1 351 63.546 0.00149466 -3.54068 63.546000 Cu 0.590833 0.854326 1 352 63.546 0.00335348 -3.54083 63.546000 Cu 0.631509 0.841881 0.5 353 63.546 0.00133042 -3.54069 63.546000 Cu 0.680651 0.851983 1.19792e-19 355 63.546 0.000733469 -3.53988 63.546000 Cu 0.770776 0.849544 1 318 63.546 0.00275897 -3.53823 63.546000 Cu 0.811743 0.837263 0.5 319 63.546 0.00192684 -3.53877 63.546000 Cu 0.721501 0.839502 0.5 320 63.546 0.000632616 -3.53918 63.546000 Cu 0.820162 0.859655 0.5 324 63.546 0.00434402 -3.5383 63.546000 Cu 0.729805 0.861961 0.5 357 63.546 0.00201084 -3.53823 63.546000 Cu 0.992298 0.833598 0.5 287 63.546 0.000552658 -3.54019 63.546000 Cu 0.951483 0.845764 1 286 63.546 0.000244282 -3.53997 63.546000 Cu 0.902067 0.835368 0.5 288 63.546 0.000391079 -3.53983 63.546000 Cu 0.861158 0.847503 1 321 63.546 0.00158805 -3.53915 63.546000 Cu 0.910627 0.857867 0.5 323 63.546 0.000718292 -3.53949 63.546000 Cu 0.0501107 0.866675 1 290 63.546 0.00376766 -3.54063 63.546000 Cu 0.0992169 0.877057 0.5 295 63.546 0.00755452 -3.54111 63.546000 Cu 0.00934005 0.878881 0.5 327 63.546 0.00249504 -3.54005 63.546000 Cu 0.0584924 0.889429 1 329 63.546 0.0073812 -3.54055 63.546000 Cu 0.139923 0.864534 4.79168e-19 293 63.546 0.0033874 -3.54081 63.546000 Cu 0.148136 0.887254 4.79168e-19 294 63.546 0.00907148 -3.54099 63.546000 Cu 0.188912 0.874556 0.5 446 63.546 0.00195704 -3.53939 63.546000 Cu 0.237915 0.884365 1 447 63.546 0.00663271 -3.53614 63.546000 Cu 0.279054 0.871904 0.5 422 63.546 0.00753072 -3.53692 63.546000 Cu 0.328444 0.881978 1 420 63.546 0.00931769 -3.53738 63.546000 Cu 0.36962 0.869917 0.5 421 63.546 0.0030085 -3.53878 63.546000 Cu 0.377906 0.892286 0.5 426 63.546 0.00492311 -3.53834 63.546000 Cu 0.287136 0.894163 0.5 449 63.546 0.02078 -3.53438 63.546000 Cu 0.419061 0.880351 0 423 63.546 0.00118137 -3.53919 63.546000 Cu 0.50934 0.878881 1 390 63.546 0.00249504 -3.54005 63.546000 Cu 0.550111 0.866675 0.5 391 63.546 0.00376766 -3.54063 63.546000 Cu 0.460033 0.868337 0.5 392 63.546 0.000676335 -3.53979 63.546000 Cu 0.46843 0.89093 0.5 425 63.546 0.00135213 -3.53937 63.546000 Cu 0.558492 0.889429 0.5 396 63.546 0.0073812 -3.54055 63.546000 Cu 0.688912 0.874556 3.95314e-18 356 63.546 0.00195704 -3.53939 63.546000 Cu 0.639923 0.864534 0.5 358 63.546 0.0033874 -3.54081 63.546000 Cu 0.599217 0.877057 1 393 63.546 0.00755452 -3.54111 63.546000 Cu 0.648136 0.887254 0.5 395 63.546 0.00907148 -3.54099 63.546000 Cu 0.779054 0.871904 3.97709e-17 359 63.546 0.00753072 -3.53692 63.546000 Cu 0.787136 0.894163 6.8521e-17 360 63.546 0.02078 -3.53438 63.546000 Cu 0.828444 0.881978 0.5 361 63.546 0.00931769 -3.53738 63.546000 Cu 0.737915 0.884365 0.5 362 63.546 0.00663271 -3.53614 63.546000 Cu 0.86962 0.869917 1.94063e-17 322 63.546 0.0030085 -3.53878 63.546000 Cu 0.960033 0.868337 2.5324e-16 325 63.546 0.000676335 -3.53979 63.546000 Cu 0.96843 0.89093 1 326 63.546 0.00135213 -3.53937 63.546000 Cu 0.919061 0.880351 0.5 328 63.546 0.00118137 -3.53919 63.546000 Cu 0.877906 0.892286 2.10594e-16 363 63.546 0.00492311 -3.53834 63.546000 Cu 0.0668314 0.912295 1 330 63.546 0.0154607 -3.53977 63.546000 Cu 0.107461 0.899892 0.5 331 63.546 0.0173482 -3.54134 63.546000 Cu 0.0176885 0.901601 0.5 332 63.546 0.00476745 -3.53943 63.546000 Cu 0.115736 0.92289 0.5 335 63.546 0.0423486 -3.54059 63.546000 Cu 0.0260633 0.924379 0.5 369 63.546 0.00728121 -3.53743 63.546000 Cu 0.156234 0.910081 1 333 63.546 0.025073 -3.54071 63.546000 Cu 0.245798 0.906675 1 448 63.546 0.0230303 -3.5308 63.546000 Cu 0.196912 0.897152 0.5 450 63.546 0.00561256 -3.53803 63.546000 Cu 0.204705 0.919792 0.5 470 63.546 0.0196367 -3.53394 63.546000 Cu 0.253462 0.928788 1 471 63.546 0.102727 -3.51445 63.546000 Cu 0.336574 0.904219 1.19792e-19 451 63.546 0.0178179 -3.53618 63.546000 Cu 0.344668 0.92636 2.45214e-16 452 63.546 0.0289742 -3.53512 63.546000 Cu 0.386106 0.914615 0.5 453 63.546 0.00657559 -3.53782 63.546000 Cu 0.29507 0.916275 0.5 454 63.546 0.0565621 -3.52927 63.546000 Cu 0.427348 0.902822 2.45214e-16 424 63.546 0.00170019 -3.53868 63.546000 Cu 0.517689 0.901601 1.94063e-17 427 63.546 0.00476745 -3.53943 63.546000 Cu 0.526063 0.924379 2.00053e-16 428 63.546 0.00728121 -3.53743 63.546000 Cu 0.476766 0.913542 0.5 430 63.546 0.00210507 -3.53822 63.546000 Cu 0.435639 0.925285 2.50006e-16 455 63.546 0.00227277 -3.53779 63.546000 Cu 0.566831 0.912295 0.5 429 63.546 0.0154607 -3.53977 63.546000 Cu 0.607461 0.899892 1 394 63.546 0.0173482 -3.54134 63.546000 Cu 0.696912 0.897152 1 397 63.546 0.00561256 -3.53803 63.546000 Cu 0.656234 0.910081 0.5 400 63.546 0.025073 -3.54071 63.546000 Cu 0.615736 0.92289 1.10448e-16 431 63.546 0.0423486 -3.54059 63.546000 Cu 0.704705 0.919792 1.94063e-17 398 63.546 0.0196367 -3.53394 63.546000 Cu 0.836574 0.904219 0.5 366 63.546 0.0178179 -3.53618 63.546000 Cu 0.745798 0.906675 0.5 399 63.546 0.0230303 -3.5308 63.546000 Cu 0.79507 0.916275 1.94063e-17 401 63.546 0.0565621 -3.52927 63.546000 Cu 0.753462 0.928788 0.5 404 63.546 0.102727 -3.51445 63.546000 Cu 0.844668 0.92636 0.5 403 63.546 0.0289742 -3.53512 63.546000 Cu 0.886106 0.914615 1 364 63.546 0.00657559 -3.53782 63.546000 Cu 0.927348 0.902822 0.5 365 63.546 0.00170019 -3.53868 63.546000 Cu 0.976766 0.913542 2.39584e-19 367 63.546 0.00210507 -3.53822 63.546000 Cu 0.935639 0.925285 0.5 370 63.546 0.00227277 -3.53779 63.546000 Cu 0.0752439 0.935285 6.24116e-17 371 63.546 0.0281529 -3.53677 63.546000 Cu 0.083578 0.958405 2.39584e-19 372 63.546 0.0465065 -3.52684 63.546000 Cu 0.124093 0.946148 0.5 373 63.546 0.100419 -3.53456 63.546000 Cu 0.0344146 0.947219 0.5 374 63.546 0.00903678 -3.53289 63.546000 Cu 0.164392 0.933109 1 334 63.546 0.0759598 -3.5395 63.546000 Cu 0.172905 0.95655 1 375 63.546 0.302353 -3.52314 63.546000 Cu 0.261008 0.950452 1 472 63.546 0.597615 -3.45996 63.546000 Cu 0.212166 0.942648 0.5 474 63.546 0.109867 -3.5157 63.546000 Cu 0.394319 0.936895 0.5 458 63.546 0.00693718 -3.53771 63.546000 Cu 0.302904 0.938161 0.5 473 63.546 0.159375 -3.52088 63.546000 Cu 0.352819 0.9484 2.45454e-16 475 63.546 0.0334192 -3.5363 63.546000 Cu 0.40235 0.959156 0.5 477 63.546 0.0220583 -3.53708 63.546000 Cu 0.311123 0.959777 0.5 478 63.546 0.494754 -3.5049 63.546000 Cu 0.443909 0.947746 1.22547e-16 456 63.546 0.0048782 -3.53654 63.546000 Cu 0.485099 0.936167 0.5 457 63.546 0.00270123 -3.53635 63.546000 Cu 0.534415 0.947219 3.67761e-16 459 63.546 0.00903678 -3.53289 63.546000 Cu 0.493108 0.95883 0.5 462 63.546 0.0170976 -3.53479 63.546000 Cu 0.624093 0.946148 1.94063e-17 432 63.546 0.100419 -3.53456 63.546000 Cu 0.664392 0.933109 0.5 433 63.546 0.0759598 -3.5395 63.546000 Cu 0.575244 0.935285 0.5 434 63.546 0.0281529 -3.53677 63.546000 Cu 0.672905 0.95655 0.5 438 63.546 0.302353 -3.52314 63.546000 Cu 0.583578 0.958405 0.5 461 63.546 0.0465065 -3.52684 63.546000 Cu 0.712166 0.942648 2.40063e-16 435 63.546 0.109867 -3.5157 63.546000 Cu 0.802904 0.938161 1.69985e-16 402 63.546 0.159375 -3.52088 63.546000 Cu 0.761008 0.950452 0.5 437 63.546 0.597615 -3.45996 63.546000 Cu 0.811123 0.959777 4.25861e-16 439 63.546 0.494754 -3.5049 63.546000 Cu 0.852819 0.9484 0.5 408 63.546 0.0334192 -3.5363 63.546000 Cu 0.993108 0.95883 1.80527e-16 409 63.546 0.0170976 -3.53479 63.546000 Cu 0.985099 0.936167 2.85824e-16 368 63.546 0.00270123 -3.53635 63.546000 Cu 0.894319 0.936895 9.16409e-17 405 63.546 0.00693718 -3.53771 63.546000 Cu 0.90235 0.959156 4.56408e-16 406 63.546 0.0220583 -3.53708 63.546000 Cu 0.943909 0.947746 0.5 407 63.546 0.0048782 -3.53654 63.546000 Cu 0.0415563 0.970104 0.5 411 63.546 0.0577424 -3.53413 63.546000 Cu 0.0890471 0.981487 1 413 63.546 0.18579 -3.52428 63.546000 Cu 0.0412009 0.992903 0.5 415 63.546 0.0552893 -3.53313 63.546000 Cu 0.132325 0.969797 0.5 377 63.546 0.298301 -3.50407 63.546000 Cu 0.131866 0.993196 0.5 414 63.546 0.289672 -3.50292 63.546000 Cu 0.219042 0.966202 0.5 484 63.546 5.39784 -3.41939 63.546000 Cu 0.183728 0.981464 1 376 63.546 4.2868 -3.54154 63.546000 Cu 0.270293 0.971294 1 485 63.546 7.15219 -3.25511 63.546000 Cu 0.218566 0.996776 0.5 488 63.546 5.38021 -3.42028 63.546000 Cu 0.269878 0.991667 1 486 63.546 7.16402 -3.25699 63.546000 Cu 0.360177 0.970451 1 476 63.546 0.0875435 -3.53726 63.546000 Cu 0.406137 0.981525 0.5 482 63.546 0.0658261 -3.54223 63.546000 Cu 0.315113 0.981503 0.5 487 63.546 3.09661 -3.47247 63.546000 Cu 0.359796 0.992578 1 489 63.546 0.0834525 -3.53703 63.546000 Cu 0.541556 0.970104 1 460 63.546 0.0577424 -3.53413 63.546000 Cu 0.450681 0.970259 1.89631e-16 479 63.546 0.0541285 -3.53916 63.546000 Cu 0.450329 0.99278 4.27658e-17 480 63.546 0.0518354 -3.53847 63.546000 Cu 0.497195 0.981513 0.5 481 63.546 0.0832286 -3.54106 63.546000 Cu 0.541201 0.992903 5.4745e-17 483 63.546 0.0552893 -3.53313 63.546000 Cu 0.632325 0.969797 1 463 63.546 0.298301 -3.50407 63.546000 Cu 0.631866 0.993196 1.70105e-16 464 63.546 0.289672 -3.50292 63.546000 Cu 0.683728 0.981464 0.5 465 63.546 4.2868 -3.54154 63.546000 Cu 0.589047 0.981487 0.5 466 63.546 0.18579 -3.52428 63.546000 Cu 0.719042 0.966202 6.3382e-16 436 63.546 5.39784 -3.41939 63.546000 Cu 0.815113 0.981503 8.02726e-16 440 63.546 3.09661 -3.47247 63.546000 Cu 0.770293 0.971294 0.5 442 63.546 7.15219 -3.25511 63.546000 Cu 0.718566 0.996776 1 467 63.546 5.38021 -3.42028 63.546000 Cu 0.769878 0.991667 0.5 468 63.546 7.16402 -3.25699 63.546000 Cu 0.997195 0.981513 2.83787e-16 410 63.546 0.0832286 -3.54106 63.546000 Cu 0.950681 0.970259 0.5 412 63.546 0.0541285 -3.53916 63.546000 Cu 0.860177 0.970451 0.5 441 63.546 0.0875435 -3.53726 63.546000 Cu 0.906137 0.981525 5.10673e-16 443 63.546 0.0658261 -3.54223 63.546000 Cu 0.950329 0.99278 0.5 444 63.546 0.0518354 -3.53847 63.546000 Cu 0.859796 0.992578 0.5 445 63.546 0.0834525 -3.53703