Number of particles = 974 A = 1 Angstrom (basic length-scale) H0(1,1) = 28.1757 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 112.891 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61966 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 0.0829671 0.00454903 1 502 63.546 0.125706 -3.53106 63.546000 Cu 0.0330901 0.0157865 0.5 503 63.546 0.0231242 -3.53405 63.546000 Cu 0.0738384 0.0278753 6.2063e-17 515 63.546 0.0263295 -3.53311 63.546000 Cu 0.122457 0.0171787 0.5 517 63.546 0.0507611 -3.52055 63.546000 Cu 0.163492 0.0301337 1 516 63.546 0.0590382 -3.5318 63.546000 Cu 0.171655 0.00689987 2.07875e-16 519 63.546 0.263887 -3.50228 63.546000 Cu 0.211616 0.020015 0.5 521 63.546 0.326974 -3.50798 63.546000 Cu 0.260782 0.012803 2.39865e-16 520 63.546 0.730731 -3.47635 63.546000 Cu 0.310443 0.00328758 0.5 522 63.546 0.507846 -3.51188 63.546000 Cu 0.301974 0.0249831 0.5 543 63.546 0.20186 -3.52743 63.546000 Cu 0.351924 0.0147074 1.92898e-16 545 63.546 0.0345198 -3.53197 63.546000 Cu 0.442464 0.0153011 2.44538e-16 546 63.546 0.00504203 -3.53601 63.546000 Cu 0.400823 0.00386652 0.5 547 63.546 0.0216604 -3.53537 63.546000 Cu 0.392976 0.0261852 0.5 548 63.546 0.00665204 -3.53529 63.546000 Cu 0.491538 0.00419839 0.5 549 63.546 0.0141303 -3.53737 63.546000 Cu 0.48374 0.0268677 0.5 577 63.546 0.00520344 -3.53679 63.546000 Cu 0.53309 0.0157865 3.67825e-16 579 63.546 0.0231242 -3.53405 63.546000 Cu 0.622457 0.0171787 5.77497e-17 580 63.546 0.0507611 -3.52055 63.546000 Cu 0.582967 0.00454903 0.5 581 63.546 0.125706 -3.53106 63.546000 Cu 0.573838 0.0278753 0.5 582 63.546 0.0263295 -3.53311 63.546000 Cu 0.671655 0.00689987 0.5 583 63.546 0.263887 -3.50228 63.546000 Cu 0.663492 0.0301337 0.5 619 63.546 0.0590382 -3.5318 63.546000 Cu 0.711616 0.020015 4.79251e-19 621 63.546 0.326974 -3.50798 63.546000 Cu 0.760782 0.012803 0.5 623 63.546 0.730731 -3.47635 63.546000 Cu 0.810443 0.00328758 3.61954e-16 491 63.546 0.507846 -3.51188 63.546000 Cu 0.851924 0.0147074 0.5 493 63.546 0.0345198 -3.53197 63.546000 Cu 0.801974 0.0249831 0 622 63.546 0.20186 -3.52743 63.546000 Cu 0.900823 0.00386652 4.51934e-16 492 63.546 0.0216604 -3.53537 63.546000 Cu 0.892976 0.0261852 1.27241e-16 497 63.546 0.00665204 -3.53529 63.546000 Cu 0.98374 0.0268677 1.23167e-16 498 63.546 0.00520344 -3.53679 63.546000 Cu 0.942464 0.0153011 0.5 499 63.546 0.00504203 -3.53601 63.546000 Cu 0.991538 0.00419839 2.45137e-16 501 63.546 0.0141303 -3.53737 63.546000 Cu 0.0654356 0.050829 1 512 63.546 0.01692 -3.53669 63.546000 Cu 0.0245626 0.0387131 0.5 513 63.546 0.00780155 -3.53622 63.546000 Cu 0.0161615 0.0614827 0.5 514 63.546 0.00583492 -3.53805 63.546000 Cu 0.114453 0.0402971 0.5 518 63.546 0.0272386 -3.53445 63.546000 Cu 0.155005 0.0531365 3.79806e-17 537 63.546 0.016891 -3.53537 63.546000 Cu 0.244606 0.0565562 1 538 63.546 0.044867 -3.53372 63.546000 Cu 0.203784 0.0430925 0.5 539 63.546 0.073706 -3.52817 63.546000 Cu 0.25261 0.0344842 1.22449e-16 541 63.546 0.188434 -3.51845 63.546000 Cu 0.343407 0.036756 1 542 63.546 0.0249368 -3.53555 63.546000 Cu 0.293782 0.0468919 0.5 544 63.546 0.0743366 -3.53571 63.546000 Cu 0.335127 0.0588939 1 571 63.546 0.0151806 -3.53811 63.546000 Cu 0.384612 0.0484687 0.5 573 63.546 0.00533356 -3.53761 63.546000 Cu 0.425776 0.0602483 2.21414e-16 572 63.546 0.00132136 -3.53852 63.546000 Cu 0.43423 0.0377817 1.22568e-16 575 63.546 0.00240928 -3.53709 63.546000 Cu 0.475194 0.0495315 0.5 578 63.546 0.00217671 -3.53788 63.546000 Cu 0.524563 0.0387131 1.51084e-16 576 63.546 0.00780155 -3.53622 63.546000 Cu 0.516161 0.0614827 1 613 63.546 0.00583492 -3.53805 63.546000 Cu 0.565436 0.050829 0.5 615 63.546 0.01692 -3.53669 63.546000 Cu 0.614453 0.0402971 1 617 63.546 0.0272386 -3.53445 63.546000 Cu 0.703784 0.0430925 1.38863e-16 618 63.546 0.073706 -3.52817 63.546000 Cu 0.655005 0.0531365 0.5 620 63.546 0.016891 -3.53537 63.546000 Cu 0.744606 0.0565562 0.5 663 63.546 0.044867 -3.53372 63.546000 Cu 0.75261 0.0344842 0.5 624 63.546 0.188434 -3.51845 63.546000 Cu 0.843407 0.036756 0.5 495 63.546 0.0249368 -3.53555 63.546000 Cu 0.835127 0.0588939 0.5 496 63.546 0.0151806 -3.53811 63.546000 Cu 0.793782 0.0468919 4.41869e-16 665 63.546 0.0743366 -3.53571 63.546000 Cu 0.884612 0.0484687 1.19813e-19 494 63.546 0.00533356 -3.53761 63.546000 Cu 0.93423 0.0377817 0.5 500 63.546 0.00240928 -3.53709 63.546000 Cu 0.925776 0.0602483 0.5 509 63.546 0.00132136 -3.53852 63.546000 Cu 0.975194 0.0495315 1 511 63.546 0.00217671 -3.53788 63.546000 Cu 0.056994 0.0736799 1 533 63.546 0.00791991 -3.53805 63.546000 Cu 0.106039 0.0632778 0.5 535 63.546 0.0118621 -3.53691 63.546000 Cu 0.0977681 0.0860814 0.5 536 63.546 0.00568216 -3.5385 63.546000 Cu 0.00778683 0.0841889 0.5 531 63.546 0.00312238 -3.53888 63.546000 Cu 0.146777 0.0759258 1.22329e-16 534 63.546 0.0062689 -3.53786 63.546000 Cu 0.195686 0.0658952 0.5 540 63.546 0.0167587 -3.53603 63.546000 Cu 0.187584 0.0885508 0.5 565 63.546 0.0041525 -3.53852 63.546000 Cu 0.236561 0.078841 1 567 63.546 0.0125847 -3.53816 63.546000 Cu 0.326938 0.0811432 1 568 63.546 0.00856251 -3.53925 63.546000 Cu 0.285727 0.0690147 0.5 569 63.546 0.0284943 -3.53869 63.546000 Cu 0.277648 0.0912652 0.5 570 63.546 0.0107888 -3.53968 63.546000 Cu 0.368117 0.0931646 0.5 607 63.546 0.00214969 -3.53954 63.546000 Cu 0.376327 0.0707923 0.5 574 63.546 0.00343563 -3.53892 63.546000 Cu 0.417487 0.0827132 1 609 63.546 0.000792952 -3.53927 63.546000 Cu 0.466853 0.0721338 0.5 611 63.546 0.0015569 -3.53889 63.546000 Cu 0.507787 0.0841889 1 610 63.546 0.00312238 -3.53888 63.546000 Cu 0.606039 0.0632778 1.38983e-17 614 63.546 0.0118621 -3.53691 63.546000 Cu 0.556994 0.0736799 0.5 616 63.546 0.00791991 -3.53805 63.546000 Cu 0.597768 0.0860814 1.30955e-16 657 63.546 0.00568216 -3.5385 63.546000 Cu 0.687584 0.0885508 1.22449e-16 658 63.546 0.0041525 -3.53852 63.546000 Cu 0.646777 0.0759258 0.5 659 63.546 0.0062689 -3.53786 63.546000 Cu 0.695686 0.0658952 3.22296e-17 661 63.546 0.0167587 -3.53603 63.546000 Cu 0.736561 0.078841 0.5 664 63.546 0.0125847 -3.53816 63.546000 Cu 0.868117 0.0931646 1.19813e-19 504 63.546 0.00214969 -3.53954 63.546000 Cu 0.826938 0.0811432 0.5 505 63.546 0.00856251 -3.53925 63.546000 Cu 0.785727 0.0690147 6.66518e-16 662 63.546 0.0284943 -3.53869 63.546000 Cu 0.777648 0.0912652 8.27906e-17 705 63.546 0.0107888 -3.53968 63.546000 Cu 0.876327 0.0707923 3.67346e-16 507 63.546 0.00343563 -3.53892 63.546000 Cu 0.966853 0.0721338 4.17068e-16 508 63.546 0.0015569 -3.53889 63.546000 Cu 0.917487 0.0827132 0.5 510 63.546 0.000792952 -3.53927 63.546000 Cu 0.0486697 0.0964176 0 530 63.546 0.00401302 -3.53892 63.546000 Cu 0.0403765 0.119091 1.5983e-16 559 63.546 0.00180406 -3.53938 63.546000 Cu 0.089519 0.108788 0.5 561 63.546 0.00275766 -3.53921 63.546000 Cu 0.130355 0.121243 1 560 63.546 0.000982449 -3.53944 63.546000 Cu 0.13858 0.0986156 2.65026e-16 563 63.546 0.00244165 -3.53891 63.546000 Cu 0.228491 0.101218 1 564 63.546 0.0039693 -3.53945 63.546000 Cu 0.17944 0.111135 0.5 566 63.546 0.00116636 -3.53942 63.546000 Cu 0.220377 0.123646 1.22808e-16 601 63.546 0.00135705 -3.53982 63.546000 Cu 0.269546 0.1136 0.5 603 63.546 0.00413308 -3.53999 63.546000 Cu 0.318795 0.10346 1 605 63.546 0.00430674 -3.53977 63.546000 Cu 0.359941 0.115567 0.5 608 63.546 0.00126569 -3.53984 63.546000 Cu 0.409218 0.105183 1.21969e-16 606 63.546 0.000389655 -3.53967 63.546000 Cu 0.458536 0.0947209 0.5 612 63.546 0.000803355 -3.53939 63.546000 Cu 0.450251 0.117277 0.5 651 63.546 0.000395022 -3.53968 63.546000 Cu 0.499482 0.106841 1 653 63.546 0.00154781 -3.53935 63.546000 Cu 0.589519 0.108788 2.20455e-17 654 63.546 0.00275766 -3.53921 63.546000 Cu 0.54867 0.0964176 0.5 655 63.546 0.00401302 -3.53892 63.546000 Cu 0.540376 0.119091 0.5 656 63.546 0.00180406 -3.53938 63.546000 Cu 0.63858 0.0986156 0.5 660 63.546 0.00244165 -3.53891 63.546000 Cu 0.630355 0.121243 0.5 699 63.546 0.000982449 -3.53944 63.546000 Cu 0.67944 0.111135 1.15499e-16 701 63.546 0.00116636 -3.53942 63.546000 Cu 0.728491 0.101218 0.5 703 63.546 0.0039693 -3.53945 63.546000 Cu 0.720377 0.123646 0.5 704 63.546 0.00135705 -3.53982 63.546000 Cu 0.818795 0.10346 0.5 506 63.546 0.00430674 -3.53977 63.546000 Cu 0.859941 0.115567 0 525 63.546 0.00126569 -3.53984 63.546000 Cu 0.769546 0.1136 2.8156e-16 702 63.546 0.00413308 -3.53999 63.546000 Cu 0.950251 0.117277 3.39909e-16 526 63.546 0.000395022 -3.53968 63.546000 Cu 0.909218 0.105183 0.5 527 63.546 0.000389655 -3.53967 63.546000 Cu 0.958536 0.0947209 0 529 63.546 0.000803355 -3.53939 63.546000 Cu 0.999482 0.106841 0.5 532 63.546 0.00154781 -3.53935 63.546000 Cu 0.03216 0.141712 0 556 63.546 0.000879072 -3.53962 63.546000 Cu 0.0812761 0.131426 0.5 562 63.546 0.00146047 -3.53956 63.546000 Cu 0.0731435 0.154036 0.5 595 63.546 0.000695857 -3.53968 63.546000 Cu 0.122203 0.14383 1 597 63.546 0.000428207 -3.53968 63.546000 Cu 0.212291 0.146103 1 598 63.546 0.000500842 -3.53999 63.546000 Cu 0.17129 0.133684 0.5 599 63.546 0.000380031 -3.53973 63.546000 Cu 0.163207 0.156221 0.5 600 63.546 0.000209647 -3.53985 63.546000 Cu 0.26145 0.135999 0.5 604 63.546 0.00166725 -3.54011 63.546000 Cu 0.310655 0.125827 1.9805e-16 602 63.546 0.00177648 -3.53999 63.546000 Cu 0.302538 0.148244 1.69775e-16 645 63.546 0.000684523 -3.54007 63.546000 Cu 0.351744 0.138005 0.5 647 63.546 0.000695604 -3.54 63.546000 Cu 0.392829 0.150175 1 646 63.546 0.000176322 -3.53994 63.546000 Cu 0.400988 0.12767 1 649 63.546 0.00021986 -3.53985 63.546000 Cu 0.491207 0.129454 1 650 63.546 0.000650548 -3.53964 63.546000 Cu 0.442009 0.139826 0.5 652 63.546 0.000202139 -3.53979 63.546000 Cu 0.483023 0.152046 1.77203e-16 693 63.546 0.000275288 -3.53978 63.546000 Cu 0.573143 0.154036 1 694 63.546 0.000695857 -3.53968 63.546000 Cu 0.53216 0.141712 0.5 695 63.546 0.000879072 -3.53962 63.546000 Cu 0.581276 0.131426 1 697 63.546 0.00146047 -3.53956 63.546000 Cu 0.622203 0.14383 0.5 700 63.546 0.000428207 -3.53968 63.546000 Cu 0.67129 0.133684 1 698 63.546 0.000380031 -3.53973 63.546000 Cu 0.663207 0.156221 1 741 63.546 0.000209647 -3.53985 63.546000 Cu 0.712291 0.146103 0.5 743 63.546 0.000500842 -3.53999 63.546000 Cu 0.76145 0.135999 2.44538e-16 745 63.546 0.00166725 -3.54011 63.546000 Cu 0.851744 0.138005 1 523 63.546 0.000695604 -3.54 63.546000 Cu 0.810655 0.125827 0.5 524 63.546 0.00177648 -3.53999 63.546000 Cu 0.802538 0.148244 0.5 746 63.546 0.000684523 -3.54007 63.546000 Cu 0.900988 0.12767 0.5 528 63.546 0.00021986 -3.53985 63.546000 Cu 0.892829 0.150175 0.5 553 63.546 0.000176322 -3.53994 63.546000 Cu 0.942009 0.139826 1 555 63.546 0.000202139 -3.53979 63.546000 Cu 0.991207 0.129454 0.5 557 63.546 0.000650548 -3.53964 63.546000 Cu 0.983023 0.152046 0.5 558 63.546 0.000275288 -3.53978 63.546000 Cu 0.0160774 0.186894 4.51694e-17 590 63.546 0.000176682 -3.53983 63.546000 Cu 0.0240696 0.164313 3.67466e-16 593 63.546 0.000409665 -3.53977 63.546000 Cu 0.114161 0.166407 1.22329e-16 594 63.546 0.000175411 -3.53977 63.546000 Cu 0.0651429 0.176625 0.5 596 63.546 0.000284045 -3.53978 63.546000 Cu 0.155293 0.178753 0.5 639 63.546 8.87791e-05 -3.53989 63.546000 Cu 0.20434 0.168585 1.97691e-16 641 63.546 0.000138101 -3.54 63.546000 Cu 0.245481 0.180896 0.5 644 63.546 0.000131423 -3.54008 63.546000 Cu 0.253396 0.158433 0.5 643 63.546 0.000577844 -3.54007 63.546000 Cu 0.294566 0.170699 3.23135e-16 642 63.546 0.000248507 -3.54009 63.546000 Cu 0.343682 0.16047 0.5 648 63.546 0.000337971 -3.54 63.546000 Cu 0.335692 0.182963 0.5 687 63.546 0.00023808 -3.54 63.546000 Cu 0.384806 0.172689 1 689 63.546 0.000100417 -3.53994 63.546000 Cu 0.47502 0.174616 3.71899e-16 690 63.546 0.000156057 -3.53988 63.546000 Cu 0.433915 0.162379 0.5 691 63.546 6.13875e-05 -3.5399 63.546000 Cu 0.425895 0.184923 0.5 692 63.546 3.04825e-05 -3.53992 63.546000 Cu 0.52407 0.164313 0.5 696 63.546 0.000409665 -3.53977 63.546000 Cu 0.516077 0.186894 0.5 735 63.546 0.000176682 -3.53983 63.546000 Cu 0.565143 0.176625 1 737 63.546 0.000284045 -3.53978 63.546000 Cu 0.614161 0.166407 0.5 739 63.546 0.000175411 -3.53977 63.546000 Cu 0.655293 0.178753 1 738 63.546 8.87791e-05 -3.53989 63.546000 Cu 0.70434 0.168585 0.5 744 63.546 0.000138101 -3.54 63.546000 Cu 0.745481 0.180896 1 785 63.546 0.000131423 -3.54008 63.546000 Cu 0.753396 0.158433 0 742 63.546 0.000577844 -3.54007 63.546000 Cu 0.835692 0.182963 2.45137e-16 550 63.546 0.00023808 -3.54 63.546000 Cu 0.843682 0.16047 1 551 63.546 0.000337971 -3.54 63.546000 Cu 0.794566 0.170699 0.5 786 63.546 0.000248507 -3.54009 63.546000 Cu 0.884806 0.172689 0.5 554 63.546 0.000100417 -3.53994 63.546000 Cu 0.933915 0.162379 1 552 63.546 6.13875e-05 -3.5399 63.546000 Cu 0.925895 0.184923 1 589 63.546 3.04825e-05 -3.53992 63.546000 Cu 0.97502 0.174616 0.5 591 63.546 0.000156057 -3.53988 63.546000 Cu 0.0979885 0.211499 1 634 63.546 7.11218e-05 -3.53997 63.546000 Cu 0.0570864 0.199183 0.5 635 63.546 0.000269773 -3.53986 63.546000 Cu 0.106215 0.188961 1.25564e-16 637 63.546 0.000130362 -3.53991 63.546000 Cu 0.00787557 0.20946 1 633 63.546 7.48017e-05 -3.53986 63.546000 Cu 0.19635 0.191081 0 638 63.546 7.71234e-05 -3.54006 63.546000 Cu 0.1472 0.201281 0.5 640 63.546 6.80288e-05 -3.54004 63.546000 Cu 0.188133 0.213584 8.8901e-17 681 63.546 1.86166e-05 -3.54006 63.546000 Cu 0.237357 0.203381 0.5 683 63.546 5.48358e-05 -3.54008 63.546000 Cu 0.278291 0.215694 4.3492e-17 682 63.546 6.00681e-05 -3.54001 63.546000 Cu 0.286559 0.193192 1.48807e-16 685 63.546 0.000202934 -3.54005 63.546000 Cu 0.32752 0.205476 0.5 688 63.546 0.000172736 -3.54001 63.546000 Cu 0.368466 0.217746 2.60113e-16 729 63.546 8.34353e-05 -3.53998 63.546000 Cu 0.376749 0.195226 1 686 63.546 0.000245174 -3.53996 63.546000 Cu 0.417728 0.207474 0.5 731 63.546 8.85309e-05 -3.53994 63.546000 Cu 0.466926 0.197169 1 733 63.546 0.00018821 -3.53989 63.546000 Cu 0.507876 0.20946 0.5 736 63.546 7.48017e-05 -3.53986 63.546000 Cu 0.557086 0.199183 0 734 63.546 0.000269773 -3.53986 63.546000 Cu 0.606215 0.188961 0.5 740 63.546 0.000130362 -3.53991 63.546000 Cu 0.597988 0.211499 0.5 779 63.546 7.11218e-05 -3.53997 63.546000 Cu 0.6472 0.201281 2.45137e-16 781 63.546 6.80288e-05 -3.54004 63.546000 Cu 0.737357 0.203381 1 782 63.546 5.48358e-05 -3.54008 63.546000 Cu 0.69635 0.191081 0.5 783 63.546 7.71234e-05 -3.54006 63.546000 Cu 0.688133 0.213584 0.5 784 63.546 1.86166e-05 -3.54006 63.546000 Cu 0.82752 0.205476 3.86396e-16 585 63.546 0.000172736 -3.54001 63.546000 Cu 0.868466 0.217746 0.5 588 63.546 8.34353e-05 -3.53998 63.546000 Cu 0.786559 0.193192 0.5 787 63.546 0.000202934 -3.54005 63.546000 Cu 0.778291 0.215694 0.5 826 63.546 6.00681e-05 -3.54001 63.546000 Cu 0.876749 0.195226 0.5 587 63.546 0.000245174 -3.53996 63.546000 Cu 0.917728 0.207474 1.22568e-16 586 63.546 8.85309e-05 -3.53994 63.546000 Cu 0.966926 0.197169 0.5 592 63.546 0.00018821 -3.53989 63.546000 Cu 0.0487648 0.22175 0.5 636 63.546 2.68818e-05 -3.5399 63.546000 Cu 0.0404118 0.244289 0.5 675 63.546 0.000108166 -3.53995 63.546000 Cu 0.0896611 0.234037 1.22568e-16 677 63.546 2.49938e-05 -3.53997 63.546000 Cu 0.138888 0.223797 0.5 679 63.546 5.19995e-05 -3.54006 63.546000 Cu 0.130594 0.246314 0.5 680 63.546 0.000117382 -3.53999 63.546000 Cu 0.17983 0.236092 1 678 63.546 5.58567e-05 -3.54005 63.546000 Cu 0.229041 0.225889 0.5 684 63.546 1.20596e-05 -3.54005 63.546000 Cu 0.220787 0.248397 0.5 723 63.546 4.91483e-05 -3.54003 63.546000 Cu 0.269963 0.238201 1.22568e-16 725 63.546 4.01903e-05 -3.54007 63.546000 Cu 0.360108 0.24028 1.76125e-17 726 63.546 0.000160082 -3.53999 63.546000 Cu 0.319201 0.227999 0.5 727 63.546 0.000198497 -3.54002 63.546000 Cu 0.45862 0.219729 2.03801e-16 730 63.546 5.00809e-05 -3.53989 63.546000 Cu 0.409354 0.230016 0.5 732 63.546 3.41305e-05 -3.53995 63.546000 Cu 0.450296 0.242283 1 773 63.546 4.44411e-05 -3.53987 63.546000 Cu 0.499499 0.232014 0.5 775 63.546 3.57821e-05 -3.53989 63.546000 Cu 0.540412 0.244289 1 774 63.546 0.000108166 -3.53995 63.546000 Cu 0.548765 0.22175 2.37948e-16 777 63.546 2.68818e-05 -3.5399 63.546000 Cu 0.589661 0.234037 0.5 780 63.546 2.49938e-05 -3.53997 63.546000 Cu 0.638888 0.223797 1 778 63.546 5.19995e-05 -3.54006 63.546000 Cu 0.630594 0.246314 5.99064e-19 821 63.546 0.000117382 -3.53999 63.546000 Cu 0.720787 0.248397 1 822 63.546 4.91483e-05 -3.54003 63.546000 Cu 0.67983 0.236092 0.5 823 63.546 5.58567e-05 -3.54005 63.546000 Cu 0.729041 0.225889 7.02103e-17 825 63.546 1.20596e-05 -3.54005 63.546000 Cu 0.819201 0.227999 1 584 63.546 0.000198497 -3.54002 63.546000 Cu 0.860108 0.24028 0.5 627 63.546 0.000160082 -3.53999 63.546000 Cu 0.769963 0.238201 0.5 827 63.546 4.01903e-05 -3.54007 63.546000 Cu 0.909354 0.230016 1 629 63.546 3.41305e-05 -3.53995 63.546000 Cu 0.999499 0.232014 1.29997e-16 630 63.546 3.57821e-05 -3.53989 63.546000 Cu 0.95862 0.219729 0.5 631 63.546 5.00809e-05 -3.53989 63.546000 Cu 0.950296 0.242283 0.5 632 63.546 4.44411e-05 -3.53987 63.546000 Cu 0.0813963 0.256568 1 674 63.546 0.000158843 -3.54001 63.546000 Cu 0.0322956 0.266844 0.5 676 63.546 9.39047e-05 -3.53994 63.546000 Cu 0.0734504 0.279101 1.19813e-19 717 63.546 0.000133415 -3.53999 63.546000 Cu 0.122502 0.268837 0.5 719 63.546 0.000178245 -3.54008 63.546000 Cu 0.163683 0.281117 1 718 63.546 0.000258105 -3.54002 63.546000 Cu 0.171594 0.258605 2.14585e-16 721 63.546 0.00019871 -3.54003 63.546000 Cu 0.212684 0.270905 0.5 724 63.546 0.000259973 -3.54001 63.546000 Cu 0.261788 0.260714 1 722 63.546 9.69636e-05 -3.54 63.546000 Cu 0.310927 0.250517 0.5 728 63.546 0.000193185 -3.54004 63.546000 Cu 0.302899 0.273032 0.5 767 63.546 0.000153825 -3.53996 63.546000 Cu 0.351988 0.262813 1 769 63.546 0.000121016 -3.53998 63.546000 Cu 0.442129 0.264847 0 770 63.546 0.00010283 -3.53989 63.546000 Cu 0.4011 0.252563 0.5 771 63.546 9.8689e-05 -3.53991 63.546000 Cu 0.393085 0.275115 0.5 772 63.546 0.000153162 -3.53993 63.546000 Cu 0.491265 0.254573 0.5 776 63.546 5.27603e-05 -3.53988 63.546000 Cu 0.483226 0.277138 0.5 815 63.546 0.000209778 -3.53986 63.546000 Cu 0.532296 0.266844 1 817 63.546 9.39047e-05 -3.53994 63.546000 Cu 0.622502 0.268837 2.39625e-19 818 63.546 0.000178245 -3.54008 63.546000 Cu 0.581396 0.256568 0.5 819 63.546 0.000158843 -3.54001 63.546000 Cu 0.57345 0.279101 0.5 820 63.546 0.000133415 -3.53999 63.546000 Cu 0.671594 0.258605 0.5 824 63.546 0.00019871 -3.54003 63.546000 Cu 0.663683 0.281117 0.5 863 63.546 0.000258105 -3.54002 63.546000 Cu 0.712684 0.270905 0 865 63.546 0.000259973 -3.54001 63.546000 Cu 0.761788 0.260714 0.5 867 63.546 9.69636e-05 -3.54 63.546000 Cu 0.810927 0.250517 1 625 63.546 0.000193185 -3.54004 63.546000 Cu 0.851988 0.262813 0.5 628 63.546 0.000121016 -3.53998 63.546000 Cu 0.802899 0.273032 1.13702e-16 866 63.546 0.000153825 -3.53996 63.546000 Cu 0.9011 0.252563 1.19813e-19 626 63.546 9.8689e-05 -3.53991 63.546000 Cu 0.893085 0.275115 4.10718e-16 669 63.546 0.000153162 -3.53993 63.546000 Cu 0.983226 0.277138 2.02483e-17 670 63.546 0.000209778 -3.53986 63.546000 Cu 0.942129 0.264847 0.5 671 63.546 0.00010283 -3.53989 63.546000 Cu 0.991265 0.254573 1 673 63.546 5.27603e-05 -3.53988 63.546000 Cu 0.0657743 0.30164 1 714 63.546 0.000178389 -3.53995 63.546000 Cu 0.0244369 0.289397 0.5 715 63.546 0.000164758 -3.53992 63.546000 Cu 0.0169287 0.311953 0.5 716 63.546 0.000126257 -3.53996 63.546000 Cu 0.114692 0.291356 0.5 720 63.546 0.00033581 -3.53998 63.546000 Cu 0.156082 0.303619 1.71093e-16 761 63.546 0.000446276 -3.53998 63.546000 Cu 0.246336 0.305744 1 762 63.546 0.000194385 -3.53989 63.546000 Cu 0.204995 0.293419 0.5 763 63.546 0.000179442 -3.53999 63.546000 Cu 0.253916 0.283232 0 765 63.546 9.24356e-05 -3.53997 63.546000 Cu 0.34408 0.285355 0 766 63.546 0.000243191 -3.53989 63.546000 Cu 0.2952 0.295572 0.5 768 63.546 0.000159644 -3.53989 63.546000 Cu 0.336557 0.307925 2.39506e-16 809 63.546 0.000282664 -3.53971 63.546000 Cu 0.385365 0.297681 0.5 811 63.546 0.000206702 -3.53979 63.546000 Cu 0.426725 0.310001 1 810 63.546 0.000271971 -3.53974 63.546000 Cu 0.434243 0.287409 1 813 63.546 0.000212542 -3.53985 63.546000 Cu 0.47551 0.299712 0.5 816 63.546 0.000447821 -3.53986 63.546000 Cu 0.524437 0.289397 1 814 63.546 0.000164758 -3.53992 63.546000 Cu 0.516929 0.311953 1 857 63.546 0.000126257 -3.53996 63.546000 Cu 0.565774 0.30164 0.5 859 63.546 0.000178389 -3.53995 63.546000 Cu 0.614692 0.291356 1 861 63.546 0.00033581 -3.53998 63.546000 Cu 0.704995 0.293419 1.72171e-16 862 63.546 0.000179442 -3.53999 63.546000 Cu 0.656082 0.303619 0.5 864 63.546 0.000446276 -3.53998 63.546000 Cu 0.746336 0.305744 0.5 905 63.546 0.000194385 -3.53989 63.546000 Cu 0.753916 0.283232 0.5 868 63.546 9.24356e-05 -3.53997 63.546000 Cu 0.84408 0.285355 0.5 667 63.546 0.000243191 -3.53989 63.546000 Cu 0.836557 0.307925 0.5 668 63.546 0.000282664 -3.53971 63.546000 Cu 0.7952 0.295572 0 907 63.546 0.000159644 -3.53989 63.546000 Cu 0.885365 0.297681 1 666 63.546 0.000206702 -3.53979 63.546000 Cu 0.934243 0.287409 0.5 672 63.546 0.000212542 -3.53985 63.546000 Cu 0.926725 0.310001 0.5 711 63.546 0.000271971 -3.53974 63.546000 Cu 0.97551 0.299712 1 713 63.546 0.000447821 -3.53986 63.546000 Cu 0.0584373 0.324171 1.22449e-16 757 63.546 0.000111846 -3.54 63.546000 Cu 0.107227 0.313874 0.5 759 63.546 0.000280171 -3.54001 63.546000 Cu 0.100006 0.33637 0.5 760 63.546 0.000466799 -3.54002 63.546000 Cu 0.00966406 0.334515 0.5 755 63.546 0.000138841 -3.53988 63.546000 Cu 0.148757 0.326104 1 758 63.546 0.000768342 -3.53998 63.546000 Cu 0.197533 0.315908 0.5 764 63.546 0.000531997 -3.53995 63.546000 Cu 0.190363 0.33838 0.5 803 63.546 0.00130438 -3.53989 63.546000 Cu 0.239076 0.328245 4.22939e-17 805 63.546 0.000398142 -3.53966 63.546000 Cu 0.329259 0.3305 1.99249e-16 806 63.546 0.000364296 -3.53951 63.546000 Cu 0.28779 0.318109 0.5 807 63.546 0.000144702 -3.53966 63.546000 Cu 0.280589 0.340673 0.5 808 63.546 0.000450033 -3.53951 63.546000 Cu 0.37068 0.342897 0.5 851 63.546 0.00101886 -3.53945 63.546000 Cu 0.377963 0.320278 0.5 812 63.546 0.000420008 -3.53958 63.546000 Cu 0.419408 0.332604 0 853 63.546 0.000582861 -3.53958 63.546000 Cu 0.46818 0.322292 0.5 855 63.546 0.000377194 -3.53983 63.546000 Cu 0.509664 0.334515 1 854 63.546 0.000138841 -3.53988 63.546000 Cu 0.607227 0.313874 1 858 63.546 0.000280171 -3.54001 63.546000 Cu 0.558437 0.324171 0.5 860 63.546 0.000111846 -3.54 63.546000 Cu 0.600006 0.33637 1.12744e-16 899 63.546 0.000466799 -3.54002 63.546000 Cu 0.690363 0.33838 1.22449e-16 900 63.546 0.00130438 -3.53989 63.546000 Cu 0.648757 0.326104 0.5 901 63.546 0.000768342 -3.53998 63.546000 Cu 0.697533 0.315908 1 903 63.546 0.000531997 -3.53995 63.546000 Cu 0.739076 0.328245 0.5 906 63.546 0.000398142 -3.53966 63.546000 Cu 0.87068 0.342897 1 706 63.546 0.00101886 -3.53945 63.546000 Cu 0.829259 0.3305 0.5 707 63.546 0.000364296 -3.53951 63.546000 Cu 0.78779 0.318109 1 904 63.546 0.000144702 -3.53966 63.546000 Cu 0.780589 0.340673 1.57674e-16 937 63.546 0.000450033 -3.53951 63.546000 Cu 0.877963 0.320278 3.59438e-19 709 63.546 0.000420008 -3.53958 63.546000 Cu 0.96818 0.322292 1.22808e-16 710 63.546 0.000377194 -3.53983 63.546000 Cu 0.919408 0.332604 0.5 712 63.546 0.000582861 -3.53958 63.546000 Cu 0.0511546 0.346695 1.19333e-16 754 63.546 0.000294548 -3.53997 63.546000 Cu 0.0435949 0.3692 1 797 63.546 0.000466197 -3.53988 63.546000 Cu 0.0926157 0.358819 0.5 799 63.546 0.00125942 -3.53995 63.546000 Cu 0.00224132 0.357084 0.5 756 63.546 0.000432361 -3.5398 63.546000 Cu 0.134063 0.370962 0 798 63.546 0.00332519 -3.53981 63.546000 Cu 0.141557 0.348554 2.45856e-16 801 63.546 0.00179935 -3.53999 63.546000 Cu 0.231885 0.350735 1 802 63.546 0.00120522 -3.53962 63.546000 Cu 0.183025 0.360811 0.5 804 63.546 0.00301879 -3.53984 63.546000 Cu 0.224426 0.373181 8.98595e-18 845 63.546 0.00381111 -3.53924 63.546000 Cu 0.273212 0.363236 0.5 847 63.546 0.00118204 -3.53923 63.546000 Cu 0.321966 0.3531 1.19813e-19 849 63.546 0.000838849 -3.53933 63.546000 Cu 0.363215 0.365559 0.5 852 63.546 0.0024949 -3.53911 63.546000 Cu 0.412006 0.355248 6.33809e-17 850 63.546 0.00156316 -3.53942 63.546000 Cu 0.460818 0.344886 0.5 856 63.546 0.000662287 -3.53968 63.546000 Cu 0.453296 0.367518 0.5 893 63.546 0.00150309 -3.5395 63.546000 Cu 0.502241 0.357084 1 895 63.546 0.000432361 -3.5398 63.546000 Cu 0.592616 0.358819 5.89479e-17 896 63.546 0.00125942 -3.53995 63.546000 Cu 0.551155 0.346695 0.5 897 63.546 0.000294548 -3.53997 63.546000 Cu 0.543595 0.3692 0.5 898 63.546 0.000466197 -3.53988 63.546000 Cu 0.641557 0.348554 0.5 902 63.546 0.00179935 -3.53999 63.546000 Cu 0.634063 0.370962 0.5 931 63.546 0.00332519 -3.53981 63.546000 Cu 0.683025 0.360811 2.44658e-16 933 63.546 0.00301879 -3.53984 63.546000 Cu 0.731885 0.350735 0.5 935 63.546 0.00120522 -3.53962 63.546000 Cu 0.724426 0.373181 0.5 936 63.546 0.00381111 -3.53924 63.546000 Cu 0.821966 0.3531 0.5 708 63.546 0.000838849 -3.53933 63.546000 Cu 0.863215 0.365559 2.99172e-16 749 63.546 0.0024949 -3.53911 63.546000 Cu 0.773212 0.363236 1 934 63.546 0.00118204 -3.53923 63.546000 Cu 0.953296 0.367518 2.57118e-16 750 63.546 0.00150309 -3.5395 63.546000 Cu 0.912006 0.355248 0.5 751 63.546 0.00156316 -3.53942 63.546000 Cu 0.960818 0.344886 9.63294e-17 753 63.546 0.000662287 -3.53968 63.546000 Cu 0.0358151 0.391681 1 794 63.546 0.000845622 -3.53941 63.546000 Cu 0.0850146 0.381243 0.5 800 63.546 0.00223522 -3.53971 63.546000 Cu 0.0770762 0.403611 0.5 839 63.546 0.00359636 -3.53893 63.546000 Cu 0.126385 0.393279 1 841 63.546 0.00773894 -3.53923 63.546000 Cu 0.216785 0.395569 7.10489e-17 842 63.546 0.0121085 -3.53803 63.546000 Cu 0.175497 0.383157 0.5 843 63.546 0.00950286 -3.53962 63.546000 Cu 0.167709 0.405405 0.5 844 63.546 0.0265115 -3.53847 63.546000 Cu 0.26559 0.385834 0.5 848 63.546 0.00439595 -3.53835 63.546000 Cu 0.314413 0.375733 1.22209e-16 846 63.546 0.0019703 -3.53878 63.546000 Cu 0.306582 0.398432 1 887 63.546 0.00532576 -3.53779 63.546000 Cu 0.355473 0.388273 0.5 889 63.546 0.00526797 -3.53848 63.546000 Cu 0.396409 0.400679 1 888 63.546 0.00752704 -3.53812 63.546000 Cu 0.404384 0.377927 3.54765e-16 891 63.546 0.00335561 -3.53901 63.546000 Cu 0.494568 0.379664 8.91407e-17 892 63.546 0.000950442 -3.53961 63.546000 Cu 0.445469 0.390173 0.5 894 63.546 0.00297018 -3.53906 63.546000 Cu 0.48655 0.402246 1.78042e-16 925 63.546 0.00153381 -3.53907 63.546000 Cu 0.577076 0.403611 8.38689e-17 926 63.546 0.00359636 -3.53893 63.546000 Cu 0.535815 0.391681 0.5 927 63.546 0.000845622 -3.53941 63.546000 Cu 0.585015 0.381243 1 929 63.546 0.00223522 -3.53971 63.546000 Cu 0.626385 0.393279 0.5 932 63.546 0.00773894 -3.53923 63.546000 Cu 0.675497 0.383157 0 930 63.546 0.00950286 -3.53962 63.546000 Cu 0.667709 0.405405 0 955 63.546 0.0265115 -3.53847 63.546000 Cu 0.716785 0.395569 0.5 957 63.546 0.0121085 -3.53803 63.546000 Cu 0.76559 0.385834 1 959 63.546 0.00439595 -3.53835 63.546000 Cu 0.855473 0.388273 1 747 63.546 0.00526797 -3.53848 63.546000 Cu 0.814413 0.375733 0.5 748 63.546 0.0019703 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63.546000 Cu 0.347383 0.411072 0.5 890 63.546 0.0102511 -3.53698 63.546000 Cu 0.339059 0.434052 0.5 919 63.546 0.0251614 -3.5345 63.546000 Cu 0.38806 0.423521 2.54003e-17 921 63.546 0.0152319 -3.53683 63.546000 Cu 0.478285 0.424849 1 922 63.546 0.00225783 -3.53806 63.546000 Cu 0.437302 0.412885 0.5 923 63.546 0.00554926 -3.53819 63.546000 Cu 0.428971 0.435656 0.5 924 63.546 0.00796368 -3.53642 63.546000 Cu 0.527693 0.414153 0.5 928 63.546 0.00118078 -3.53863 63.546000 Cu 0.519329 0.436612 0.5 949 63.546 0.0022187 -3.53724 63.546000 Cu 0.56887 0.425937 1 951 63.546 0.00456133 -3.53759 63.546000 Cu 0.618329 0.415506 0.5 953 63.546 0.0152723 -3.53792 63.546000 Cu 0.659707 0.427489 1 952 63.546 0.076231 -3.53514 63.546000 Cu 0.708926 0.417836 0.5 958 63.546 0.0454615 -3.53361 63.546000 Cu 0.749753 0.431286 1.75645e-16 972 63.546 0.0751493 -3.52831 63.546000 Cu 0.757759 0.4085 2.57597e-17 956 63.546 0.0185806 -3.536 63.546000 Cu 0.839059 0.434052 0 788 63.546 0.0251614 -3.5345 63.546000 Cu 0.847383 0.411072 1 789 63.546 0.0102511 -3.53698 63.546000 Cu 0.798514 0.421232 0.5 973 63.546 0.0168793 -3.53536 63.546000 Cu 0.88806 0.423521 0.5 792 63.546 0.0152319 -3.53683 63.546000 Cu 0.937302 0.412885 1 790 63.546 0.00554926 -3.53819 63.546000 Cu 0.928971 0.435656 2.45376e-16 833 63.546 0.00796368 -3.53642 63.546000 Cu 0.978285 0.424849 0.5 835 63.546 0.00225783 -3.53806 63.546000 Cu 0.101729 0.459661 3.05163e-16 876 63.546 0.033572 -3.53169 63.546000 Cu 0.0605677 0.448202 0.5 877 63.546 0.00613997 -3.53518 63.546000 Cu 0.110139 0.437636 1 879 63.546 0.0242794 -3.53531 63.546000 Cu 0.0111625 0.459072 1 875 63.546 0.00575174 -3.53627 63.546000 Cu 0.20091 0.439896 4.12156e-17 880 63.546 0.188773 -3.51735 63.546000 Cu 0.151598 0.449383 0.5 882 63.546 0.206291 -3.527 63.546000 Cu 0.192887 0.46153 3.15107e-17 913 63.546 0.767378 -3.47362 63.546000 Cu 0.241954 0.454373 0.5 915 63.546 0.342978 -3.5066 63.546000 Cu 0.282027 0.467462 0 914 63.546 0.266473 -3.50373 63.546000 Cu 0.290036 0.444238 1 917 63.546 0.0606257 -3.53181 63.546000 Cu 0.331182 0.457179 0.5 920 63.546 0.0493341 -3.52098 63.546000 Cu 0.37968 0.446465 1.20891e-16 918 63.546 0.0240819 -3.53337 63.546000 Cu 0.420525 0.458569 0.5 945 63.546 0.0241436 -3.53459 63.546000 Cu 0.469812 0.447498 1 947 63.546 0.00543533 -3.53705 63.546000 Cu 0.511163 0.459072 0.5 950 63.546 0.00575174 -3.53627 63.546000 Cu 0.560568 0.448202 2.10152e-16 948 63.546 0.00613997 -3.53518 63.546000 Cu 0.610139 0.437636 0.5 954 63.546 0.0242794 -3.53531 63.546000 Cu 0.601729 0.459661 0.5 966 63.546 0.033572 -3.53169 63.546000 Cu 0.651598 0.449383 3.2625e-16 968 63.546 0.206291 -3.527 63.546000 Cu 0.741954 0.454373 1.82834e-16 969 63.546 0.342978 -3.5066 63.546000 Cu 0.70091 0.439896 0.5 970 63.546 0.188773 -3.51735 63.546000 Cu 0.692887 0.46153 0.5 971 63.546 0.767378 -3.47362 63.546000 Cu 0.782027 0.467462 0.5 15 63.546 0.266473 -3.50373 63.546000 Cu 0.831182 0.457179 1 829 63.546 0.0493341 -3.52098 63.546000 Cu 0.790036 0.444238 0.5 974 63.546 0.0606257 -3.53181 63.546000 Cu 0.87968 0.446465 0.5 831 63.546 0.0240819 -3.53337 63.546000 Cu 0.920525 0.458569 1 830 63.546 0.0241436 -3.53459 63.546000 Cu 0.969812 0.447498 0.5 836 63.546 0.00543533 -3.53705 63.546000 Cu 0.052913 0.47049 0.5 878 63.546 0.0233753 -3.53544 63.546000 Cu 0.0499711 0.49286 0.5 908 63.546 0.0374191 -3.53689 63.546000 Cu 0.0951094 0.481725 1 909 63.546 0.0772254 -3.53291 63.546000 Cu 0.00507192 0.48161 1 872 63.546 0.0429422 -3.53795 63.546000 Cu 0.143288 0.471075 0.5 911 63.546 0.513483 -3.50993 63.546000 Cu 0.139683 0.492853 0.5 912 63.546 3.09315 -3.43988 63.546000 Cu 0.185972 0.482657 1 910 63.546 5.71858 -3.359 63.546000 Cu 0.236065 0.47763 0.5 916 63.546 5.593 -3.3264 63.546000 Cu 0.370768 0.469782 1.22449e-16 943 63.546 0.125256 -3.53175 63.546000 Cu 0.270123 0.492839 1 939 63.546 4.66628 -3.45283 63.546000 Cu 0.366155 0.492817 1 940 63.546 0.160662 -3.52698 63.546000 Cu 0.322578 0.481242 0.5 941 63.546 0.416591 -3.49857 63.546000 Cu 0.462162 0.470143 6.12722e-16 944 63.546 0.0171959 -3.53788 63.546000 Cu 0.414199 0.481372 0.5 946 63.546 0.0373889 -3.53602 63.546000 Cu 0.458338 0.492831 1 961 63.546 0.0824513 -3.53695 63.546000 Cu 0.505072 0.48161 0.5 963 63.546 0.0429422 -3.53795 63.546000 Cu 0.549971 0.49286 4.79251e-19 962 63.546 0.0374191 -3.53689 63.546000 Cu 0.552913 0.47049 2.77247e-16 964 63.546 0.0233753 -3.53544 63.546000 Cu 0.595109 0.481725 0.5 967 63.546 0.0772254 -3.53291 63.546000 Cu 0.639683 0.492853 1.59051e-15 490 63.546 3.09315 -3.43988 63.546000 Cu 0.643288 0.471075 1.95786e-15 965 63.546 0.513483 -3.50993 63.546000 Cu 0.736065 0.47763 2.69015e-15 60 63.546 5.593 -3.3264 63.546000 Cu 0.685972 0.482657 0.5 94 63.546 5.71858 -3.359 63.546000 Cu 0.870768 0.469782 0.5 832 63.546 0.125256 -3.53175 63.546000 Cu 0.770123 0.492839 0.5 13 63.546 4.66628 -3.45283 63.546000 Cu 0.822578 0.481242 2.39625e-19 828 63.546 0.416591 -3.49857 63.546000 Cu 0.866155 0.492817 0.5 870 63.546 0.160662 -3.52698 63.546000 Cu 0.914199 0.481372 1.56116e-16 871 63.546 0.0373889 -3.53602 63.546000 Cu 0.962162 0.470143 0.5 873 63.546 0.0171959 -3.53788 63.546000 Cu 0.958338 0.492831 0.5 874 63.546 0.0824513 -3.53695 63.546000 Cu 0.095384 0.503986 1 1 63.546 0.0786641 -3.53257 63.546000 Cu 0.00537556 0.504086 6.32611e-17 4 63.546 0.0414888 -3.53748 63.546000 Cu 0.011952 0.526629 2.39625e-19 5 63.546 0.00535175 -3.53559 63.546000 Cu 0.0534749 0.515212 0.5 6 63.546 0.0223006 -3.53481 63.546000 Cu 0.102497 0.526036 1 8 63.546 0.0339628 -3.5314 63.546000 Cu 0.236453 0.508083 0.5 938 63.546 5.60432 -3.33063 63.546000 Cu 0.143857 0.514611 0.5 2 63.546 0.503366 -3.51023 63.546000 Cu 0.186288 0.503013 1 92 63.546 7.30202 -3.35805 63.546000 Cu 0.193607 0.524133 5.99064e-19 93 63.546 0.745823 -3.47531 63.546000 Cu 0.282737 0.5182 0 95 63.546 0.264404 -3.5034 63.546000 Cu 0.332004 0.528435 0.5 97 63.546 0.0545147 -3.52125 63.546000 Cu 0.322881 0.50439 0.5 942 63.546 0.427094 -3.49841 63.546000 Cu 0.371368 0.515836 0 58 63.546 0.126405 -3.53128 63.546000 Cu 0.414443 0.50426 0.5 59 63.546 0.0378596 -3.53553 63.546000 Cu 0.462756 0.515512 1 61 63.546 0.0148393 -3.53697 63.546000 Cu 0.421317 0.527067 0.5 64 63.546 0.0239986 -3.53397 63.546000 Cu 0.553475 0.515212 1 32 63.546 0.0223006 -3.53481 63.546000 Cu 0.595384 0.503986 0.5 33 63.546 0.0786641 -3.53257 63.546000 Cu 0.505376 0.504086 0.5 34 63.546 0.0414888 -3.53748 63.546000 Cu 0.602497 0.526036 0.5 38 63.546 0.0339628 -3.5314 63.546000 Cu 0.511952 0.526629 0.5 63 63.546 0.00535175 -3.53559 63.546000 Cu 0.736453 0.508083 2.24409e-16 469 63.546 5.60432 -3.33063 63.546000 Cu 0.686288 0.503013 0.5 14 63.546 7.30202 -3.35805 63.546000 Cu 0.643857 0.514611 2.44418e-16 35 63.546 0.503366 -3.51023 63.546000 Cu 0.693607 0.524133 0.5 37 63.546 0.745823 -3.47531 63.546000 Cu 0.832004 0.528435 1 16 63.546 0.0545147 -3.52125 63.546000 Cu 0.782737 0.5182 0.5 18 63.546 0.264404 -3.5034 63.546000 Cu 0.822881 0.50439 1 869 63.546 0.427094 -3.49841 63.546000 Cu 0.871368 0.515836 0.5 17 63.546 0.126405 -3.53128 63.546000 Cu 0.914443 0.50426 0 3 63.546 0.0378596 -3.53553 63.546000 Cu 0.962756 0.515512 0.5 7 63.546 0.0148393 -3.53697 63.546000 Cu 0.921317 0.527067 9.12973e-17 19 63.546 0.0239986 -3.53397 63.546000 Cu 0.0614899 0.537502 0.5 11 63.546 0.00720839 -3.5349 63.546000 Cu 0.02039 0.54907 1 23 63.546 0.00232826 -3.53667 63.546000 Cu 0.0700882 0.559767 0.5 25 63.546 0.00620152 -3.53723 63.546000 Cu 0.111149 0.548054 2.21654e-17 9 63.546 0.0253252 -3.53519 63.546000 Cu 0.152485 0.536292 0.5 10 63.546 0.202519 -3.52721 63.546000 Cu 0.160859 0.558181 0.5 12 63.546 0.0750816 -3.53518 63.546000 Cu 0.201916 0.545773 0 134 63.546 0.189158 -3.51794 63.546000 Cu 0.242756 0.531307 0.5 98 63.546 0.326775 -3.50801 63.546000 Cu 0.291017 0.541394 1 96 63.546 0.061106 -3.53219 63.546000 Cu 0.340141 0.551543 0.5 102 63.546 0.0284032 -3.53483 63.546000 Cu 0.250891 0.55436 0.5 136 63.546 0.0720861 -3.52888 63.546000 Cu 0.470745 0.538157 1 62 63.546 0.00554423 -3.53642 63.546000 Cu 0.380651 0.53914 2.45137e-16 99 63.546 0.0270661 -3.53329 63.546000 Cu 0.430066 0.549964 0.5 101 63.546 0.00853284 -3.53608 63.546000 Cu 0.479564 0.560792 3.59438e-19 103 63.546 0.00209786 -3.5375 63.546000 Cu 0.389303 0.562058 1 100 63.546 0.0177086 -3.53678 63.546000 Cu 0.56149 0.537502 1.70374e-16 65 63.546 0.00720839 -3.5349 63.546000 Cu 0.570088 0.559767 1 66 63.546 0.00620152 -3.53723 63.546000 Cu 0.52039 0.54907 0.5 68 63.546 0.00232826 -3.53667 63.546000 Cu 0.611149 0.548054 0.5 67 63.546 0.0253252 -3.53519 63.546000 Cu 0.652485 0.536292 7.30858e-18 36 63.546 0.202519 -3.52721 63.546000 Cu 0.701916 0.545773 0.5 42 63.546 0.189158 -3.51794 63.546000 Cu 0.660859 0.558181 1 69 63.546 0.0750816 -3.53518 63.546000 Cu 0.742756 0.531307 1 39 63.546 0.326775 -3.50801 63.546000 Cu 0.750891 0.55436 1.22568e-16 40 63.546 0.0720861 -3.52888 63.546000 Cu 0.791017 0.541394 0.5 41 63.546 0.061106 -3.53219 63.546000 Cu 0.840141 0.551543 1 43 63.546 0.0284032 -3.53483 63.546000 Cu 0.930066 0.549964 3.59438e-19 20 63.546 0.00853284 -3.53608 63.546000 Cu 0.970745 0.538157 0.5 21 63.546 0.00554423 -3.53642 63.546000 Cu 0.880651 0.53914 0.5 22 63.546 0.0270661 -3.53329 63.546000 Cu 0.979564 0.560792 0.5 26 63.546 0.00209786 -3.5375 63.546000 Cu 0.889303 0.562058 0.5 45 63.546 0.0177086 -3.53678 63.546000 Cu 0.0291385 0.571522 1 24 63.546 0.00139297 -3.53806 63.546000 Cu 0.0787436 0.582074 0.5 30 63.546 0.00464192 -3.53857 63.546000 Cu 0.119713 0.570182 1 27 63.546 0.0168039 -3.53783 63.546000 Cu 0.128287 0.592405 1 28 63.546 0.0098394 -3.53906 63.546000 Cu 0.169299 0.580257 0.5 29 63.546 0.027382 -3.53852 63.546000 Cu 0.210266 0.567817 1.22209e-16 135 63.546 0.046252 -3.53376 63.546000 Cu 0.218657 0.590052 1 174 63.546 0.0119885 -3.53824 63.546000 Cu 0.299794 0.564362 1.60549e-16 137 63.546 0.0180567 -3.5358 63.546000 Cu 0.308354 0.587119 7.69198e-17 138 63.546 0.00684738 -3.53807 63.546000 Cu 0.34887 0.574477 0.5 139 63.546 0.0134791 -3.53721 63.546000 Cu 0.259281 0.577108 0.5 140 63.546 0.0179112 -3.53642 63.546000 Cu 0.438706 0.572712 0.5 106 63.546 0.00633827 -3.53772 63.546000 Cu 0.398123 0.584886 1 141 63.546 0.00841058 -3.53798 63.546000 Cu 0.488263 0.58338 1.55637e-16 104 63.546 0.00156941 -3.53841 63.546000 Cu 0.529139 0.571522 0.5 105 63.546 0.00139297 -3.53806 63.546000 Cu 0.578744 0.582074 1 107 63.546 0.00464192 -3.53857 63.546000 Cu 0.619713 0.570182 0.5 72 63.546 0.0168039 -3.53783 63.546000 Cu 0.669299 0.580257 8.5067e-17 70 63.546 0.027382 -3.53852 63.546000 Cu 0.710266 0.567817 0.5 71 63.546 0.046252 -3.53376 63.546000 Cu 0.718657 0.590052 0.5 76 63.546 0.0119885 -3.53824 63.546000 Cu 0.628287 0.592405 0.5 109 63.546 0.0098394 -3.53906 63.546000 Cu 0.84887 0.574477 2.39625e-19 44 63.546 0.0134791 -3.53721 63.546000 Cu 0.799794 0.564362 0.5 46 63.546 0.0180567 -3.5358 63.546000 Cu 0.759281 0.577108 1 73 63.546 0.0179112 -3.53642 63.546000 Cu 0.808354 0.587119 0.5 75 63.546 0.00684738 -3.53807 63.546000 Cu 0.988263 0.58338 0.5 49 63.546 0.00156941 -3.53841 63.546000 Cu 0.938706 0.572712 1 47 63.546 0.00633827 -3.53772 63.546000 Cu 0.898123 0.584886 0.5 50 63.546 0.00841058 -3.53798 63.546000 Cu 0.0378068 0.593978 1.22808e-16 51 63.546 0.00103255 -3.53893 63.546000 Cu 0.0465301 0.616444 7.75188e-17 52 63.546 0.00063966 -3.53939 63.546000 Cu 0.0873653 0.604429 0.5 53 63.546 0.00309955 -3.53937 63.546000 Cu 0.177791 0.602484 0.5 31 63.546 0.0103002 -3.53969 63.546000 Cu 0.136888 0.614697 1 55 63.546 0.00457273 -3.53973 63.546000 Cu 0.227144 0.612412 1.19813e-19 175 63.546 0.00369277 -3.53954 63.546000 Cu 0.186368 0.624815 0.5 214 63.546 0.00429988 -3.54004 63.546000 Cu 0.357587 0.597258 0.5 144 63.546 0.00701338 -3.5386 63.546000 Cu 0.267789 0.599737 0.5 176 63.546 0.00440087 -3.53874 63.546000 Cu 0.316999 0.609784 0 177 63.546 0.0029793 -3.53899 63.546000 Cu 0.276379 0.622308 0.5 180 63.546 0.00131666 -3.53953 63.546000 Cu 0.366262 0.619944 0.5 179 63.546 0.00392555 -3.53922 63.546000 Cu 0.406886 0.607606 1 142 63.546 0.0044941 -3.53884 63.546000 Cu 0.447564 0.595414 0.5 143 63.546 0.00290285 -3.53857 63.546000 Cu 0.456288 0.618053 0.5 148 63.546 0.00142724 -3.5391 63.546000 Cu 0.497025 0.605959 4.64873e-17 145 63.546 0.000646551 -3.53907 63.546000 Cu 0.587365 0.604429 1 108 63.546 0.00309955 -3.53937 63.546000 Cu 0.537807 0.593978 0.5 110 63.546 0.00103255 -3.53893 63.546000 Cu 0.54653 0.616444 0.5 147 63.546 0.00063966 -3.53939 63.546000 Cu 0.677791 0.602484 1 111 63.546 0.0103002 -3.53969 63.546000 Cu 0.686368 0.624815 1 112 63.546 0.00429988 -3.54004 63.546000 Cu 0.727144 0.612412 0.5 113 63.546 0.00369277 -3.53954 63.546000 Cu 0.636888 0.614697 0.5 114 63.546 0.00457273 -3.53973 63.546000 Cu 0.767789 0.599737 9.15369e-17 74 63.546 0.00440087 -3.53874 63.546000 Cu 0.857587 0.597258 3.78608e-17 77 63.546 0.00701338 -3.5386 63.546000 Cu 0.816999 0.609784 0.5 80 63.546 0.0029793 -3.53899 63.546000 Cu 0.776379 0.622308 1.23048e-16 115 63.546 0.00131666 -3.53953 63.546000 Cu 0.866262 0.619944 1 78 63.546 0.00392555 -3.53922 63.546000 Cu 0.997025 0.605959 0.5 54 63.546 0.000646551 -3.53907 63.546000 Cu 0.947564 0.595414 0 48 63.546 0.00290285 -3.53857 63.546000 Cu 0.906886 0.607606 0.5 79 63.546 0.0044941 -3.53884 63.546000 Cu 0.956288 0.618053 1 81 63.546 0.00142724 -3.5391 63.546000 Cu 0.0960519 0.626817 0.5 57 63.546 0.00178658 -3.53969 63.546000 Cu 0.00575248 0.628503 0.5 83 63.546 0.000472367 -3.53935 63.546000 Cu 0.0553453 0.638923 1 85 63.546 0.000589111 -3.53957 63.546000 Cu 0.105001 0.649236 0.5 87 63.546 0.000862263 -3.53981 63.546000 Cu 0.014772 0.651043 0.5 88 63.546 0.000168452 -3.53953 63.546000 Cu 0.145642 0.637063 1.83074e-16 56 63.546 0.00224541 -3.53992 63.546000 Cu 0.195263 0.647203 0.5 218 63.546 0.0018134 -3.54012 63.546000 Cu 0.235833 0.634835 3.21697e-16 215 63.546 0.00136215 -3.54 63.546000 Cu 0.325738 0.632393 4.90034e-16 178 63.546 0.00157769 -3.53952 63.546000 Cu 0.285294 0.644847 0.5 217 63.546 0.000412133 -3.53989 63.546000 Cu 0.334759 0.654963 0 219 63.546 0.00104898 -3.53968 63.546000 Cu 0.415621 0.630259 0 181 63.546 0.00257434 -3.53917 63.546000 Cu 0.424671 0.652881 1.22329e-16 182 63.546 0.000996027 -3.53944 63.546000 Cu 0.465174 0.640652 0.5 183 63.546 0.000715806 -3.53931 63.546000 Cu 0.375186 0.642577 0.5 184 63.546 0.00201514 -3.53948 63.546000 Cu 0.505752 0.628503 1 146 63.546 0.000472367 -3.53935 63.546000 Cu 0.596052 0.626817 1 149 63.546 0.00178658 -3.53969 63.546000 Cu 0.605001 0.649236 3.68184e-16 150 63.546 0.000862263 -3.53981 63.546000 Cu 0.555345 0.638923 0.5 152 63.546 0.000589111 -3.53957 63.546000 Cu 0.514772 0.651043 1 185 63.546 0.000168452 -3.53953 63.546000 Cu 0.645642 0.637063 0.5 151 63.546 0.00224541 -3.53992 63.546000 Cu 0.695263 0.647203 1 153 63.546 0.0018134 -3.54012 63.546000 Cu 0.735833 0.634835 0.5 118 63.546 0.00136215 -3.54 63.546000 Cu 0.785294 0.644847 1 116 63.546 0.000412133 -3.53989 63.546000 Cu 0.825738 0.632393 0.5 117 63.546 0.00157769 -3.53952 63.546000 Cu 0.834759 0.654963 0.5 122 63.546 0.00104898 -3.53968 63.546000 Cu 0.965174 0.640652 2.34953e-16 82 63.546 0.000715806 -3.53931 63.546000 Cu 0.915621 0.630259 0.5 84 63.546 0.00257434 -3.53917 63.546000 Cu 0.875186 0.642577 2.45137e-16 119 63.546 0.00201514 -3.53948 63.546000 Cu 0.924671 0.652881 0.5 121 63.546 0.000996027 -3.53944 63.546000 Cu 0.0643581 0.661397 1 86 63.546 0.000279886 -3.53972 63.546000 Cu 0.0237353 0.673566 0.5 125 63.546 6.27373e-05 -3.5397 63.546000 Cu 0.073283 0.683882 1.23048e-16 127 63.546 0.000169899 -3.53984 63.546000 Cu 0.113929 0.671682 0.5 91 63.546 0.000517352 -3.53989 63.546000 Cu 0.154601 0.659462 7.44037e-17 89 63.546 0.000987466 -3.53998 63.546000 Cu 0.163463 0.681906 8.38689e-19 90 63.546 0.000569307 -3.54006 63.546000 Cu 0.2041 0.669622 0.5 256 63.546 0.000619388 -3.54013 63.546000 Cu 0.244772 0.657279 2.45257e-16 216 63.546 0.000527426 -3.54006 63.546000 Cu 0.343579 0.677533 1 220 63.546 0.000365019 -3.53975 63.546000 Cu 0.294182 0.667369 0.5 222 63.546 0.000221644 -3.53991 63.546000 Cu 0.253567 0.679748 1 257 63.546 0.000132917 -3.54012 63.546000 Cu 0.474177 0.663227 0.5 188 63.546 0.000313626 -3.53954 63.546000 Cu 0.384165 0.665182 0.5 221 63.546 0.00088747 -3.53961 63.546000 Cu 0.433612 0.675463 2.73413e-16 223 63.546 0.000509529 -3.53966 63.546000 Cu 0.483143 0.685772 0.5 225 63.546 0.00018431 -3.53973 63.546000 Cu 0.523735 0.673566 3.22536e-16 186 63.546 6.27373e-05 -3.5397 63.546000 Cu 0.564358 0.661397 0.5 187 63.546 0.000279886 -3.53972 63.546000 Cu 0.573283 0.683882 0.5 192 63.546 0.000169899 -3.53984 63.546000 Cu 0.613929 0.671682 1.22568e-16 189 63.546 0.000517352 -3.53989 63.546000 Cu 0.7041 0.669622 1 154 63.546 0.000619388 -3.54013 63.546000 Cu 0.654601 0.659462 0.5 156 63.546 0.000987466 -3.53998 63.546000 Cu 0.663463 0.681906 0.5 191 63.546 0.000569307 -3.54006 63.546000 Cu 0.744772 0.657279 0.5 155 63.546 0.000527426 -3.54006 63.546000 Cu 0.794182 0.667369 1 157 63.546 0.000221644 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0.702237 1 258 63.546 8.04246e-05 -3.54002 63.546000 Cu 0.303003 0.689886 0.5 259 63.546 0.000145207 -3.53996 63.546000 Cu 0.352402 0.70008 1 261 63.546 0.000154822 -3.53986 63.546000 Cu 0.311703 0.712407 0.5 264 63.546 6.55762e-05 -3.53998 63.546000 Cu 0.442477 0.698013 4.94827e-17 224 63.546 0.000379947 -3.53977 63.546000 Cu 0.393055 0.687752 0.5 226 63.546 0.000443461 -3.53973 63.546000 Cu 0.401756 0.710305 0.5 263 63.546 0.000198282 -3.53985 63.546000 Cu 0.491895 0.708314 0.5 230 63.546 7.84717e-05 -3.53978 63.546000 Cu 0.532617 0.696083 1 227 63.546 6.34038e-05 -3.53981 63.546000 Cu 0.582038 0.706393 0.5 229 63.546 0.000188065 -3.53987 63.546000 Cu 0.622761 0.694162 1 190 63.546 0.000508329 -3.53991 63.546000 Cu 0.541312 0.718615 1 228 63.546 4.13057e-05 -3.53979 63.546000 Cu 0.712932 0.692072 1 193 63.546 0.000202115 -3.54011 63.546000 Cu 0.721562 0.71455 3.2613e-16 194 63.546 2.82043e-05 -3.54011 63.546000 Cu 0.672203 0.704377 0.5 196 63.546 0.000273741 -3.54005 63.546000 Cu 0.631447 0.716655 3.1355e-16 231 63.546 0.000372424 -3.54004 63.546000 Cu 0.803003 0.689886 1 158 63.546 0.000145207 -3.53996 63.546000 Cu 0.852402 0.70008 0.5 164 63.546 0.000154822 -3.53986 63.546000 Cu 0.762334 0.702237 0.5 195 63.546 8.04246e-05 -3.54002 63.546000 Cu 0.811703 0.712407 3.67825e-16 197 63.546 6.55762e-05 -3.53998 63.546000 Cu 0.991895 0.708314 1 165 63.546 7.84717e-05 -3.53978 63.546000 Cu 0.893055 0.687752 1 161 63.546 0.000443461 -3.53973 63.546000 Cu 0.901756 0.710305 4.31326e-18 162 63.546 0.000198282 -3.53985 63.546000 Cu 0.942477 0.698013 0.5 163 63.546 0.000379947 -3.53977 63.546000 Cu 0.000575433 0.730865 1 166 63.546 7.7422e-05 -3.53979 63.546000 Cu 0.0907025 0.728916 1 169 63.546 0.000310219 -3.53992 63.546000 Cu 0.0498985 0.741171 0.5 172 63.546 0.000186926 -3.53984 63.546000 Cu 0.180837 0.726856 0 132 63.546 0.000110989 -3.5401 63.546000 Cu 0.140051 0.739151 0.5 171 63.546 0.000294772 -3.54004 63.546000 Cu 0.230221 0.73703 0.5 300 63.546 0.000161383 -3.54007 63.546000 Cu 0.189327 0.749338 4.90633e-16 336 63.546 0.000120223 -3.54004 63.546000 Cu 0.361079 0.722609 1.22568e-16 262 63.546 9.99052e-05 -3.53994 63.546000 Cu 0.270958 0.724723 1.22928e-16 297 63.546 2.17364e-05 -3.54003 63.546000 Cu 0.279518 0.747216 1 298 63.546 0.000248767 -3.54003 63.546000 Cu 0.320371 0.734917 0.5 299 63.546 0.000204257 -3.54 63.546000 Cu 0.369667 0.745139 2.76767e-16 301 63.546 0.00023464 -3.53997 63.546000 Cu 0.451172 0.720562 2.45257e-16 265 63.546 0.000219229 -3.5398 63.546000 Cu 0.459779 0.74312 1.04836e-16 266 63.546 0.00020153 -3.53986 63.546000 Cu 0.410468 0.732848 0.5 268 63.546 0.000215833 -3.53991 63.546000 Cu 0.590703 0.728916 0.5 234 63.546 0.000310219 -3.53992 63.546000 Cu 0.500575 0.730865 0.5 267 63.546 7.7422e-05 -3.53979 63.546000 Cu 0.549899 0.741171 1 269 63.546 0.000186926 -3.53984 63.546000 Cu 0.640051 0.739151 0 232 63.546 0.000294772 -3.54004 63.546000 Cu 0.680837 0.726856 0.5 233 63.546 0.000110989 -3.5401 63.546000 Cu 0.730221 0.73703 0 235 63.546 0.000161383 -3.54007 63.546000 Cu 0.689327 0.749338 0.5 238 63.546 0.000120223 -3.54004 63.546000 Cu 0.820371 0.734917 1.01362e-16 198 63.546 0.000204257 -3.54 63.546000 Cu 0.861079 0.722609 0.5 199 63.546 9.99052e-05 -3.53994 63.546000 Cu 0.770958 0.724723 0.5 200 63.546 2.17364e-05 -3.54003 63.546000 Cu 0.779518 0.747216 0.5 237 63.546 0.000248767 -3.54003 63.546000 Cu 0.869667 0.745139 0.5 204 63.546 0.00023464 -3.53997 63.546000 Cu 0.951172 0.720562 0.5 168 63.546 0.000219229 -3.5398 63.546000 Cu 0.910468 0.732848 1 201 63.546 0.000215833 -3.53991 63.546000 Cu 0.959779 0.74312 0.5 203 63.546 0.00020153 -3.53986 63.546000 Cu 0.099163 0.751437 2.10511e-16 170 63.546 0.000306387 -3.53993 63.546000 Cu 0.009019 0.753425 1.79e-16 205 63.546 6.22959e-05 -3.5398 63.546000 Cu 0.0172336 0.775996 1 206 63.546 7.89402e-05 -3.53978 63.546000 Cu 0.0581924 0.763722 0.5 207 63.546 0.000196254 -3.53987 63.546000 Cu 0.107326 0.77398 1 209 63.546 0.000308656 -3.53993 63.546000 Cu 0.148347 0.761658 0.5 173 63.546 0.000145405 -3.53999 63.546000 Cu 0.197499 0.771838 1.19813e-19 337 63.546 2.15369e-05 -3.54003 63.546000 Cu 0.238515 0.759516 0.5 338 63.546 8.70181e-05 -3.54006 63.546000 Cu 0.328688 0.757435 0.5 304 63.546 5.89761e-05 -3.54001 63.546000 Cu 0.287669 0.769714 1 339 63.546 0.000118021 -3.54007 63.546000 Cu 0.336911 0.779926 0.5 341 63.546 0.000203887 -3.54009 63.546000 Cu 0.377898 0.767668 1 302 63.546 0.00010483 -3.53997 63.546000 Cu 0.418893 0.755396 0.5 303 63.546 0.000140679 -3.53987 63.546000 Cu 0.468075 0.765682 1.77802e-16 305 63.546 4.82834e-05 -3.5398 63.546000 Cu 0.427105 0.777944 0.5 308 63.546 9.07454e-05 -3.53988 63.546000 Cu 0.558192 0.763722 1 270 63.546 0.000196254 -3.53987 63.546000 Cu 0.599163 0.751437 0.5 271 63.546 0.000306387 -3.53993 63.546000 Cu 0.509019 0.753425 0.5 272 63.546 6.22959e-05 -3.5398 63.546000 Cu 0.607326 0.77398 0.5 276 63.546 0.000308656 -3.53993 63.546000 Cu 0.517234 0.775996 0.5 307 63.546 7.89402e-05 -3.53978 63.546000 Cu 0.648347 0.761658 3.59438e-19 273 63.546 0.000145405 -3.53999 63.546000 Cu 0.697499 0.771838 0.5 275 63.546 2.15369e-05 -3.54003 63.546000 Cu 0.738515 0.759516 1 236 63.546 8.70181e-05 -3.54006 63.546000 Cu 0.828688 0.757435 0 239 63.546 5.89761e-05 -3.54001 63.546000 Cu 0.836911 0.779926 6.23026e-17 240 63.546 0.000203887 -3.54009 63.546000 Cu 0.787669 0.769714 0.5 242 63.546 0.000118021 -3.54007 63.546000 Cu 0.918893 0.755396 2.93661e-16 202 63.546 0.000140679 -3.53987 63.546000 Cu 0.968075 0.765682 0.5 208 63.546 4.82834e-05 -3.5398 63.546000 Cu 0.877898 0.767668 0.5 241 63.546 0.00010483 -3.53997 63.546000 Cu 0.927105 0.777944 1.42937e-16 243 63.546 9.07454e-05 -3.53988 63.546000 Cu 0.0663885 0.786295 0.5 212 63.546 0.000377603 -3.53982 63.546000 Cu 0.0254176 0.798597 1 247 63.546 0.00039617 -3.53963 63.546000 Cu 0.07451 0.808888 0.5 249 63.546 0.000700195 -3.53966 63.546000 Cu 0.115533 0.796533 1 210 63.546 0.000358412 -3.53984 63.546000 Cu 0.156496 0.784182 0.5 211 63.546 0.00012835 -3.53999 63.546000 Cu 0.16462 0.806713 0.5 213 63.546 0.000188179 -3.53985 63.546000 Cu 0.205638 0.79433 7.11688e-17 378 63.546 0.000153828 -3.53999 63.546000 Cu 0.246662 0.782006 0.5 342 63.546 0.000157402 -3.54006 63.546000 Cu 0.295877 0.792184 1.22209e-16 340 63.546 0.000425146 -3.54009 63.546000 Cu 0.345024 0.802413 0.5 346 63.546 0.00042542 -3.54009 63.546000 Cu 0.254769 0.804474 0.5 380 63.546 0.000541326 -3.54007 63.546000 Cu 0.476275 0.788264 5.89239e-16 306 63.546 6.71125e-05 -3.53971 63.546000 Cu 0.386089 0.790185 2.52805e-17 343 63.546 0.000197844 -3.54005 63.546000 Cu 0.435251 0.800508 0.5 345 63.546 8.99008e-05 -3.53984 63.546000 Cu 0.484415 0.810862 4.7326e-17 347 63.546 0.000331194 -3.53969 63.546000 Cu 0.566388 0.786295 7.38046e-17 309 63.546 0.000377603 -3.53982 63.546000 Cu 0.57451 0.808888 1 310 63.546 0.000700195 -3.53966 63.546000 Cu 0.525418 0.798597 0.5 312 63.546 0.00039617 -3.53963 63.546000 Cu 0.615533 0.796533 0.5 311 63.546 0.000358412 -3.53984 63.546000 Cu 0.656496 0.784182 1 274 63.546 0.00012835 -3.53999 63.546000 Cu 0.705638 0.79433 0.5 280 63.546 0.000153828 -3.53999 63.546000 Cu 0.66462 0.806713 2.44897e-16 313 63.546 0.000188179 -3.53985 63.546000 Cu 0.746662 0.782006 6.15837e-17 277 63.546 0.000157402 -3.54006 63.546000 Cu 0.754769 0.804474 1 278 63.546 0.000541326 -3.54007 63.546000 Cu 0.795877 0.792184 0.5 279 63.546 0.000425146 -3.54009 63.546000 Cu 0.845024 0.802413 0 281 63.546 0.00042542 -3.54009 63.546000 Cu 0.935251 0.800508 1.22209e-16 244 63.546 8.99008e-05 -3.53984 63.546000 Cu 0.976275 0.788264 0.5 245 63.546 6.71125e-05 -3.53971 63.546000 Cu 0.886089 0.790185 0.5 246 63.546 0.000197844 -3.54005 63.546000 Cu 0.984415 0.810862 0.5 250 63.546 0.000331194 -3.53969 63.546000 Cu 0.0335637 0.821216 0 248 63.546 0.00118113 -3.53957 63.546000 Cu 0.0827032 0.83151 0.5 254 63.546 0.00147002 -3.5395 63.546000 Cu 0.123609 0.819105 1.58872e-16 251 63.546 0.00049587 -3.53968 63.546000 Cu 0.131784 0.841716 2.76288e-16 252 63.546 0.00120053 -3.53943 63.546000 Cu 0.172687 0.829268 0.5 253 63.546 0.000547292 -3.53975 63.546000 Cu 0.213669 0.816824 3.59438e-19 379 63.546 0.00043824 -3.53996 63.546000 Cu 0.221799 0.839305 2.93541e-16 416 63.546 0.00104257 -3.53984 63.546000 Cu 0.303874 0.814651 1.07592e-16 381 63.546 0.000832085 -3.54009 63.546000 Cu 0.312036 0.837073 1 382 63.546 0.00216753 -3.54008 63.546000 Cu 0.353094 0.824878 0.5 383 63.546 0.00102083 -3.54003 63.546000 Cu 0.262796 0.826929 0.5 384 63.546 0.00144064 -3.54012 63.546000 Cu 0.394203 0.812703 2.27644e-16 344 63.546 0.000317041 -3.53994 63.546000 Cu 0.443399 0.823067 0.5 350 63.546 0.000166797 -3.53979 63.546000 Cu 0.402361 0.835206 1.47849e-16 385 63.546 0.000406196 -3.53987 63.546000 Cu 0.492602 0.833453 3.01449e-16 348 63.546 0.000622126 -3.53956 63.546000 Cu 0.533564 0.821216 0.5 349 63.546 0.00118113 -3.53957 63.546000 Cu 0.582703 0.83151 1 351 63.546 0.00147002 -3.5395 63.546000 Cu 0.623609 0.819105 0.5 316 63.546 0.00049587 -3.53968 63.546000 Cu 0.672687 0.829268 5.91875e-17 314 63.546 0.000547292 -3.53975 63.546000 Cu 0.713669 0.816824 0.5 315 63.546 0.00043824 -3.53996 63.546000 Cu 0.721799 0.839305 0.5 320 63.546 0.00104257 -3.53984 63.546000 Cu 0.631784 0.841716 0.5 353 63.546 0.00120053 -3.53943 63.546000 Cu 0.853094 0.824878 1 282 63.546 0.00102083 -3.54003 63.546000 Cu 0.803874 0.814651 0.5 284 63.546 0.000832085 -3.54009 63.546000 Cu 0.762796 0.826929 2.39625e-19 317 63.546 0.00144064 -3.54012 63.546000 Cu 0.812036 0.837073 0.5 319 63.546 0.00216753 -3.54008 63.546000 Cu 0.992602 0.833453 0.5 287 63.546 0.000622126 -3.53956 63.546000 Cu 0.894203 0.812703 0.5 283 63.546 0.000317041 -3.53994 63.546000 Cu 0.943399 0.823067 0 285 63.546 0.000166797 -3.53979 63.546000 Cu 0.902361 0.835206 0.5 288 63.546 0.000406196 -3.53987 63.546000 Cu 0.0417868 0.843851 1 289 63.546 0.00218158 -3.53932 63.546000 Cu 0.0499392 0.866538 5.99064e-19 290 63.546 0.00441945 -3.53883 63.546000 Cu 0.0908822 0.854166 0.5 291 63.546 0.00290816 -3.53913 63.546000 Cu 0.000849878 0.856087 0.5 292 63.546 0.00168615 -3.53931 63.546000 Cu 0.180826 0.851831 0.5 255 63.546 0.00130715 -3.53934 63.546000 Cu 0.139863 0.86435 2.35911e-16 293 63.546 0.00250116 -3.53882 63.546000 Cu 0.229812 0.861754 1 417 63.546 0.00328477 -3.53932 63.546000 Cu 0.188756 0.874434 0.5 446 63.546 0.00463045 -3.53832 63.546000 Cu 0.361299 0.847321 0.5 388 63.546 0.00193172 -3.53995 63.546000 Cu 0.270951 0.849347 0.5 418 63.546 0.00340154 -3.54001 63.546000 Cu 0.320138 0.859462 3.68424e-16 419 63.546 0.00475782 -3.53983 63.546000 Cu 0.278852 0.871699 0.5 422 63.546 0.00983338 -3.53958 63.546000 Cu 0.369331 0.869748 0.5 421 63.546 0.00286982 -3.53966 63.546000 Cu 0.410556 0.857707 1.8571e-17 386 63.546 0.000686079 -3.53969 63.546000 Cu 0.451633 0.845625 0.5 387 63.546 0.000394225 -3.53963 63.546000 Cu 0.459771 0.868205 0.5 392 63.546 0.000787447 -3.53941 63.546000 Cu 0.590882 0.854166 1 352 63.546 0.00290816 -3.53913 63.546000 Cu 0.541787 0.843851 0.5 354 63.546 0.00218158 -3.53932 63.546000 Cu 0.50085 0.856087 2.44897e-16 389 63.546 0.00168615 -3.53931 63.546000 Cu 0.549939 0.866538 0.5 391 63.546 0.00441945 -3.53883 63.546000 Cu 0.680826 0.851831 1.38504e-16 355 63.546 0.00130715 -3.53934 63.546000 Cu 0.688756 0.874434 7.18876e-19 356 63.546 0.00463045 -3.53832 63.546000 Cu 0.729812 0.861754 0.5 357 63.546 0.00328477 -3.53932 63.546000 Cu 0.639863 0.86435 0.5 358 63.546 0.00250116 -3.53882 63.546000 Cu 0.770951 0.849347 1 318 63.546 0.00340154 -3.54001 63.546000 Cu 0.861299 0.847321 5.51139e-18 321 63.546 0.00193172 -3.53995 63.546000 Cu 0.820138 0.859462 0.5 324 63.546 0.00475782 -3.53983 63.546000 Cu 0.778852 0.871699 1.22928e-16 359 63.546 0.00983338 -3.53958 63.546000 Cu 0.869331 0.869748 1.39582e-16 322 63.546 0.00286982 -3.53966 63.546000 Cu 0.951633 0.845625 1 286 63.546 0.000394225 -3.53963 63.546000 Cu 0.910556 0.857707 0.5 323 63.546 0.000686079 -3.53969 63.546000 Cu 0.959771 0.868205 1 325 63.546 0.000787447 -3.53941 63.546000 Cu 0.0989202 0.876897 0.5 295 63.546 0.00624019 -3.53831 63.546000 Cu 0.00887957 0.87876 0.5 327 63.546 0.00322036 -3.53881 63.546000 Cu 0.057962 0.8893 1 329 63.546 0.0085684 -3.53795 63.546000 Cu 0.106891 0.89972 0.5 331 63.546 0.0128457 -3.5368 63.546000 Cu 0.0170359 0.901497 0.5 332 63.546 0.00649745 -3.53793 63.546000 Cu 0.14778 0.887064 1.29877e-16 294 63.546 0.00645483 -3.53767 63.546000 Cu 0.196564 0.897102 0.5 450 63.546 0.0183914 -3.53583 63.546000 Cu 0.237629 0.884148 1 447 63.546 0.0111703 -3.53782 63.546000 Cu 0.328025 0.88179 1 420 63.546 0.00957087 -3.53936 63.546000 Cu 0.286668 0.893949 0.5 449 63.546 0.0277835 -3.53848 63.546000 Cu 0.335969 0.904037 1 451 63.546 0.0171063 -3.53818 63.546000 Cu 0.418546 0.8802 1.23048e-16 423 63.546 0.00102283 -3.5394 63.546000 Cu 0.426633 0.902686 5.67074e-16 424 63.546 0.00157401 -3.53856 63.546000 Cu 0.467798 0.890804 0.5 425 63.546 0.00143141 -3.53886 63.546000 Cu 0.377262 0.892129 0.5 426 63.546 0.00443309 -3.53906 63.546000 Cu 0.50888 0.87876 2.39625e-19 390 63.546 0.00322036 -3.53881 63.546000 Cu 0.59892 0.876897 2.39625e-19 393 63.546 0.00624019 -3.53831 63.546000 Cu 0.606891 0.89972 4.79251e-19 394 63.546 0.0128457 -3.5368 63.546000 Cu 0.557962 0.8893 0.5 396 63.546 0.0085684 -3.53795 63.546000 Cu 0.517036 0.901497 1 427 63.546 0.00649745 -3.53793 63.546000 Cu 0.64778 0.887064 0.5 395 63.546 0.00645483 -3.53767 63.546000 Cu 0.696564 0.897102 2.39625e-19 397 63.546 0.0183914 -3.53583 63.546000 Cu 0.737629 0.884148 0.5 362 63.546 0.0111703 -3.53782 63.546000 Cu 0.786668 0.893949 3.97539e-16 360 63.546 0.0277835 -3.53848 63.546000 Cu 0.828025 0.88179 0.5 361 63.546 0.00957087 -3.53936 63.546000 Cu 0.835969 0.904037 0.5 366 63.546 0.0171063 -3.53818 63.546000 Cu 0.967798 0.890804 1 326 63.546 0.00143141 -3.53886 63.546000 Cu 0.918546 0.8802 0.5 328 63.546 0.00102283 -3.5394 63.546000 Cu 0.877262 0.892129 3.67585e-16 363 63.546 0.00443309 -3.53906 63.546000 Cu 0.926633 0.902686 0.5 365 63.546 0.00157401 -3.53856 63.546000 Cu 0.0662498 0.912163 4.98421e-16 330 63.546 0.0178803 -3.53668 63.546000 Cu 0.0252613 0.924275 0.5 369 63.546 0.00827192 -3.53611 63.546000 Cu 0.0744723 0.935124 3.67705e-16 371 63.546 0.0271213 -3.53298 63.546000 Cu 0.115186 0.922703 0.5 335 63.546 0.0289304 -3.53432 63.546000 Cu 0.1558 0.909853 1 333 63.546 0.0174243 -3.53534 63.546000 Cu 0.164149 0.932865 8.61453e-17 334 63.546 0.0605132 -3.53177 63.546000 Cu 0.204475 0.919889 0.5 470 63.546 0.0739075 -3.52811 63.546000 Cu 0.245396 0.906419 2.45137e-16 448 63.546 0.0438106 -3.5334 63.546000 Cu 0.344125 0.926197 2.89468e-16 452 63.546 0.0255615 -3.53577 63.546000 Cu 0.29455 0.91606 0.5 454 63.546 0.075889 -3.53524 63.546000 Cu 0.253336 0.928492 1.91461e-16 471 63.546 0.186559 -3.51736 63.546000 Cu 0.47597 0.913431 0.5 430 63.546 0.00197714 -3.53782 63.546000 Cu 0.385386 0.914471 0.5 453 63.546 0.00589755 -3.53769 63.546000 Cu 0.434938 0.925175 1 455 63.546 0.00253981 -3.53715 63.546000 Cu 0.484366 0.936106 0.5 457 63.546 0.00545474 -3.53682 63.546000 Cu 0.39364 0.936761 0.5 458 63.546 0.00749422 -3.53555 63.546000 Cu 0.525261 0.924275 3.6459e-16 428 63.546 0.00827192 -3.53611 63.546000 Cu 0.56625 0.912163 0.5 429 63.546 0.0178803 -3.53668 63.546000 Cu 0.574472 0.935124 0.5 434 63.546 0.0271213 -3.53298 63.546000 Cu 0.615186 0.922703 1.25324e-16 431 63.546 0.0289304 -3.53432 63.546000 Cu 0.704475 0.919889 4.12755e-16 398 63.546 0.0739075 -3.52811 63.546000 Cu 0.6558 0.909853 0.5 400 63.546 0.0174243 -3.53534 63.546000 Cu 0.664149 0.932865 0.5 433 63.546 0.0605132 -3.53177 63.546000 Cu 0.745396 0.906419 0.5 399 63.546 0.0438106 -3.5334 63.546000 Cu 0.79455 0.91606 3.59438e-19 401 63.546 0.075889 -3.53524 63.546000 Cu 0.844125 0.926197 0.5 403 63.546 0.0255615 -3.53577 63.546000 Cu 0.753336 0.928492 0.5 404 63.546 0.186559 -3.51736 63.546000 Cu 0.885386 0.914471 2.67542e-16 364 63.546 0.00589755 -3.53769 63.546000 Cu 0.97597 0.913431 8.38689e-19 367 63.546 0.00197714 -3.53782 63.546000 Cu 0.984366 0.936106 1 368 63.546 0.00545474 -3.53682 63.546000 Cu 0.934938 0.925175 0.5 370 63.546 0.00253981 -3.53715 63.546000 Cu 0.89364 0.936761 0 405 63.546 0.00749422 -3.53555 63.546000 Cu 0.0834033 0.95847 3.58719e-16 372 63.546 0.133507 -3.53124 63.546000 Cu 0.033631 0.947221 0.5 374 63.546 0.0255361 -3.53395 63.546000 Cu 0.122966 0.945837 0.5 373 63.546 0.05289 -3.52059 63.546000 Cu 0.172069 0.956088 7.9316e-17 375 63.546 0.264718 -3.50294 63.546000 Cu 0.21219 0.94298 0.5 474 63.546 0.337567 -3.50685 63.546000 Cu 0.218082 0.966211 0.5 484 63.546 5.6224 -3.32667 63.546000 Cu 0.261287 0.950145 4.79251e-19 472 63.546 0.749398 -3.47431 63.546000 Cu 0.302624 0.93796 0.5 473 63.546 0.208983 -3.52738 63.546000 Cu 0.352473 0.948248 1 475 63.546 0.0351302 -3.53223 63.546000 Cu 0.310833 0.959684 0.5 478 63.546 0.50644 -3.51114 63.546000 Cu 0.442971 0.947661 1 456 63.546 0.00543721 -3.5362 63.546000 Cu 0.401183 0.959088 0.5 477 63.546 0.0224117 -3.53569 63.546000 Cu 0.491955 0.958781 0.5 462 63.546 0.0159265 -3.53743 63.546000 Cu 0.533631 0.947221 0 459 63.546 0.0255361 -3.53395 63.546000 Cu 0.583403 0.95847 0.5 461 63.546 0.133507 -3.53124 63.546000 Cu 0.622966 0.945837 4.89675e-16 432 63.546 0.05289 -3.52059 63.546000 Cu 0.71219 0.94298 1 435 63.546 0.337567 -3.50685 63.546000 Cu 0.718082 0.966211 1 436 63.546 5.6224 -3.32667 63.546000 Cu 0.672069 0.956088 0.5 438 63.546 0.264718 -3.50294 63.546000 Cu 0.802624 0.93796 1 402 63.546 0.208983 -3.52738 63.546000 Cu 0.852473 0.948248 0.5 408 63.546 0.0351302 -3.53223 63.546000 Cu 0.761287 0.950145 0.5 437 63.546 0.749398 -3.47431 63.546000 Cu 0.810833 0.959684 1 439 63.546 0.50644 -3.51114 63.546000 Cu 0.991955 0.958781 1 409 63.546 0.0159265 -3.53743 63.546000 Cu 0.901183 0.959088 1 406 63.546 0.0224117 -3.53569 63.546000 Cu 0.942971 0.947661 0.5 407 63.546 0.00543721 -3.5362 63.546000 Cu 0.0399755 0.970054 0.5 411 63.546 0.0369571 -3.53569 63.546000 Cu 0.0880124 0.981512 3.79567e-16 413 63.546 0.157014 -3.52672 63.546000 Cu 0.0397455 0.99296 0.5 415 63.546 0.0356141 -3.53559 63.546000 Cu 0.131595 0.96992 0.5 377 63.546 0.430211 -3.498 63.546000 Cu 0.184126 0.981483 1 376 63.546 4.70684 -3.44935 63.546000 Cu 0.131365 0.993089 0.5 414 63.546 0.42534 -3.49702 63.546000 Cu 0.217846 0.996769 0.5 488 63.546 5.62516 -3.32842 63.546000 Cu 0.359004 0.970328 1 476 63.546 0.0766465 -3.53335 63.546000 Cu 0.268135 0.971279 1 485 63.546 5.71559 -3.36066 63.546000 Cu 0.267917 0.991675 1 486 63.546 7.32062 -3.35987 63.546000 Cu 0.314421 0.981467 0.5 487 63.546 3.09833 -3.44107 63.546000 Cu 0.358833 0.992636 1.22449e-16 489 63.546 0.0775945 -3.53318 63.546000 Cu 0.449067 0.970225 1 479 63.546 0.0419489 -3.53779 63.546000 Cu 0.448866 0.992742 5.31489e-16 480 63.546 0.0410908 -3.53768 63.546000 Cu 0.404142 0.981482 0.5 482 63.546 0.0355184 -3.53707 63.546000 Cu 0.495856 0.981495 0.5 481 63.546 0.0821381 -3.53687 63.546000 Cu 0.539975 0.970054 4.90513e-16 460 63.546 0.0369571 -3.53569 63.546000 Cu 0.588012 0.981512 0.5 466 63.546 0.157014 -3.52672 63.546000 Cu 0.539746 0.99296 3.72378e-16 483 63.546 0.0356141 -3.53559 63.546000 Cu 0.631595 0.96992 1 463 63.546 0.430211 -3.498 63.546000 Cu 0.631365 0.993089 1 464 63.546 0.42534 -3.49702 63.546000 Cu 0.684126 0.981483 0.5 465 63.546 4.70684 -3.44935 63.546000 Cu 0.717846 0.996769 1.19813e-19 467 63.546 5.62516 -3.32842 63.546000 Cu 0.814421 0.981467 1 440 63.546 3.09833 -3.44107 63.546000 Cu 0.859004 0.970328 0.5 441 63.546 0.0766465 -3.53335 63.546000 Cu 0.768135 0.971279 0.5 442 63.546 5.71559 -3.36066 63.546000 Cu 0.767917 0.991675 0.5 468 63.546 7.32062 -3.35987 63.546000 Cu 0.858833 0.992636 0.5 445 63.546 0.0775945 -3.53318 63.546000 Cu 0.995856 0.981495 3.68065e-16 410 63.546 0.0821381 -3.53687 63.546000 Cu 0.949067 0.970225 0.5 412 63.546 0.0419489 -3.53779 63.546000 Cu 0.904142 0.981482 2.44777e-16 443 63.546 0.0355184 -3.53707 63.546000 Cu 0.948866 0.992742 0.5 444 63.546 0.0410908 -3.53768