Number of particles = 900 A = 1 Angstrom (basic length-scale) H0(1,1) = 38.462 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 76.9695 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61391 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 0.024986 0.0413103 5.58014e-17 479 63.546 0.00214438 -3.53724 63.546000 Cu 0.0290089 0.00791524 1 482 63.546 0.00959301 -3.53807 63.546000 Cu 0.0957044 0.00818393 1 483 63.546 0.011539 -3.53638 63.546000 Cu 0.0604104 0.0248107 0.5 484 63.546 0.00455507 -3.53698 63.546000 Cu 0.0913108 0.041953 1.32243e-16 504 63.546 0.00610672 -3.5359 63.546000 Cu 0.157145 0.0433286 2.84407e-17 505 63.546 0.0300733 -3.5316 63.546000 Cu 0.126732 0.0254009 0.5 506 63.546 0.023142 -3.53252 63.546000 Cu 0.162384 0.00873711 7.08018e-17 508 63.546 0.104852 -3.52475 63.546000 Cu 0.192029 0.0274653 0.5 510 63.546 0.0651833 -3.51856 63.546000 Cu 0.226962 0.0123434 5.58014e-17 509 63.546 0.246341 -3.4809 63.546000 Cu 0.257032 0.0321064 0.5 540 63.546 0.116218 -3.51371 63.546000 Cu 0.292837 0.0202182 5.58014e-17 542 63.546 0.487182 -3.48155 63.546000 Cu 0.222463 0.0466881 0 538 63.546 0.0319865 -3.52954 63.546000 Cu 0.36029 0.02296 2.55607e-17 543 63.546 0.0318032 -3.53235 63.546000 Cu 0.328671 0.0060528 0.5 544 63.546 0.320181 -3.50666 63.546000 Cu 0.324258 0.0379346 0.5 545 63.546 0.10302 -3.52567 63.546000 Cu 0.395696 0.00717964 0.5 546 63.546 0.0151546 -3.53572 63.546000 Cu 0.391563 0.0397968 0.5 582 63.546 0.010622 -3.53575 63.546000 Cu 0.427232 0.0238198 1 584 63.546 0.00638739 -3.53704 63.546000 Cu 0.493907 0.0242839 0 585 63.546 0.0043632 -3.53772 63.546000 Cu 0.462407 0.00751807 0.5 586 63.546 0.00955824 -3.53815 63.546000 Cu 0.458425 0.0405949 0.5 587 63.546 0.00261691 -3.53742 63.546000 Cu 0.529073 0.00777905 0.5 588 63.546 0.0098413 -3.53807 63.546000 Cu 0.525012 0.0411721 0.5 632 63.546 0.00207945 -3.53726 63.546000 Cu 0.560453 0.0246851 1 634 63.546 0.00460937 -3.53699 63.546000 Cu 0.595747 0.00805994 0.5 636 63.546 0.0116955 -3.5364 63.546000 Cu 0.591338 0.0418356 0.5 637 63.546 0.00637675 -3.53593 63.546000 Cu 0.626765 0.0252925 1 635 63.546 0.0237952 -3.53244 63.546000 Cu 0.662414 0.00863743 0.5 638 63.546 0.106861 -3.52479 63.546000 Cu 0.657169 0.0432462 0.5 690 63.546 0.0308419 -3.53142 63.546000 Cu 0.692055 0.0273974 1.22403e-16 692 63.546 0.0658171 -3.51816 63.546000 Cu 0.792861 0.0202907 0.5 456 63.546 0.507443 -3.47998 63.546000 Cu 0.757037 0.0320987 5.58014e-17 693 63.546 0.122192 -3.51244 63.546000 Cu 0.727005 0.0123047 0.5 694 63.546 0.247543 -3.48011 63.546000 Cu 0.722475 0.0466674 0.5 695 63.546 0.0322851 -3.52913 63.546000 Cu 0.828666 0.0061452 0 455 63.546 0.328863 -3.50581 63.546000 Cu 0.824244 0.0380299 5.58014e-17 460 63.546 0.105337 -3.52555 63.546000 Cu 0.891521 0.0399465 1.53964e-16 461 63.546 0.0113717 -3.53581 63.546000 Cu 0.860268 0.0230824 0.5 462 63.546 0.0322808 -3.5325 63.546000 Cu 0.895655 0.00732441 6.00015e-17 464 63.546 0.0155549 -3.53583 63.546000 Cu 0.962339 0.00767246 3.56409e-17 465 63.546 0.00917088 -3.53816 63.546000 Cu 0.927182 0.023977 0.5 466 63.546 0.00658808 -3.5371 63.546000 Cu 0.958392 0.0407501 1.90685e-16 478 63.546 0.00282092 -3.53743 63.546000 Cu 0.993858 0.0244269 0.5 480 63.546 0.00435623 -3.53772 63.546000 Cu 0.0201713 0.0746976 0 500 63.546 0.000883489 -3.53765 63.546000 Cu 0.0864237 0.0756858 0 501 63.546 0.00423096 -3.53717 63.546000 Cu 0.055794 0.058375 0.5 502 63.546 0.00211919 -3.53699 63.546000 Cu 0.0508619 0.091896 0.5 503 63.546 0.00136562 -3.53789 63.546000 Cu 0.121845 0.0594602 0.5 507 63.546 0.0115667 -3.53552 63.546000 Cu 0.11699 0.0932726 0.5 532 63.546 0.00698876 -3.53762 63.546000 Cu 0.152328 0.0773834 1 534 63.546 0.0139752 -3.5364 63.546000 Cu 0.187489 0.0617607 0.5 536 63.546 0.0226239 -3.53376 63.546000 Cu 0.218045 0.0804671 1.56004e-18 535 63.546 0.010625 -3.5362 63.546000 Cu 0.288419 0.0521296 1.20003e-19 539 63.546 0.0854556 -3.52217 63.546000 Cu 0.253091 0.0657405 0.5 541 63.546 0.0194838 -3.53199 63.546000 Cu 0.284127 0.0846944 1 576 63.546 0.017455 -3.53482 63.546000 Cu 0.350976 0.0878096 0 577 63.546 0.0135375 -3.53728 63.546000 Cu 0.319768 0.0702108 0.5 578 63.546 0.0358468 -3.53395 63.546000 Cu 0.355662 0.055286 1.22523e-16 580 63.546 0.0232993 -3.53468 63.546000 Cu 0.386817 0.0724418 0.5 583 63.546 0.00849374 -3.53733 63.546000 Cu 0.422678 0.0566717 5.58014e-17 581 63.546 0.00340577 -3.5373 63.546000 Cu 0.417839 0.0895598 2.01365e-16 626 63.546 0.00332743 -3.5383 63.546000 Cu 0.484444 0.0907012 4.0801e-17 627 63.546 0.00056542 -3.53817 63.546000 Cu 0.453624 0.0736394 0.5 628 63.546 0.00133584 -3.5379 63.546000 Cu 0.489395 0.0575051 1 630 63.546 0.00131809 -3.53754 63.546000 Cu 0.55581 0.0582388 5.38814e-17 631 63.546 0.00228243 -3.53705 63.546000 Cu 0.520173 0.0745429 0.5 633 63.546 0.000886423 -3.53764 63.546000 Cu 0.550842 0.0917488 8.62822e-17 684 63.546 0.00151835 -3.5379 63.546000 Cu 0.586428 0.0755608 0.5 686 63.546 0.0045558 -3.53724 63.546000 Cu 0.616975 0.093172 5.58014e-17 685 63.546 0.00732064 -3.53766 63.546000 Cu 0.621861 0.0593615 2.11205e-17 688 63.546 0.0118895 -3.53551 63.546000 Cu 0.68749 0.0617132 1.87205e-17 689 63.546 0.0231529 -3.53347 63.546000 Cu 0.652325 0.0773126 0.5 691 63.546 0.0143362 -3.53631 63.546000 Cu 0.788393 0.0521907 0.5 458 63.546 0.0876831 -3.5217 63.546000 Cu 0.784068 0.0847576 0.5 459 63.546 0.0178364 -3.5346 63.546000 Cu 0.718004 0.0804653 0.5 748 63.546 0.0106221 -3.53597 63.546000 Cu 0.753056 0.0657648 1 750 63.546 0.0199513 -3.53161 63.546000 Cu 0.819712 0.0703066 1.05723e-16 457 63.546 0.0365783 -3.53383 63.546000 Cu 0.855617 0.0554132 0.5 463 63.546 0.0241695 -3.53468 63.546000 Cu 0.850926 0.0879298 0.5 472 63.546 0.0142077 -3.53715 63.546000 Cu 0.886771 0.0725863 1 474 63.546 0.00905274 -3.53727 63.546000 Cu 0.95361 0.0737933 1 475 63.546 0.00143392 -3.53793 63.546000 Cu 0.922641 0.0568286 0.5 476 63.546 0.00368211 -3.53729 63.546000 Cu 0.917831 0.0897024 0.5 477 63.546 0.00343253 -3.53829 63.546000 Cu 0.989377 0.0576574 0.5 481 63.546 0.00141907 -3.53755 63.546000 Cu 0.984465 0.0908569 0.5 498 63.546 0.00065955 -3.53824 63.546000 Cu 0.0152426 0.108032 9.40824e-17 497 63.546 0.0005043 -3.53844 63.546000 Cu 0.0459684 0.125345 0.5 528 63.546 0.000870401 -3.53868 63.546000 Cu 0.0815004 0.109293 5.56814e-17 530 63.546 0.00279389 -3.53828 63.546000 Cu 0.0103639 0.141336 0 526 63.546 0.000290842 -3.53899 63.546000 Cu 0.0766931 0.142787 4.36811e-17 527 63.546 0.00177668 -3.53904 63.546000 Cu 0.147549 0.111143 4.92013e-17 531 63.546 0.00738632 -3.53834 63.546000 Cu 0.112147 0.126908 0.5 533 63.546 0.00399991 -3.53877 63.546000 Cu 0.182837 0.0956094 0.5 537 63.546 0.0101948 -3.53742 63.546000 Cu 0.178195 0.129214 0.5 570 63.546 0.00525323 -3.53889 63.546000 Cu 0.213487 0.113994 1 572 63.546 0.00453362 -3.53838 63.546000 Cu 0.279655 0.117572 1 573 63.546 0.00481249 -3.53808 63.546000 Cu 0.248733 0.0990827 0.5 574 63.546 0.00457484 -3.53729 63.546000 Cu 0.244283 0.13235 0.5 575 63.546 0.00118674 -3.53875 63.546000 Cu 0.310652 0.135628 0.5 620 63.546 0.00495264 -3.53889 63.546000 Cu 0.315204 0.10281 0.5 579 63.546 0.0133649 -3.53745 63.546000 Cu 0.346258 0.120556 5.58014e-17 622 63.546 0.00782802 -3.53876 63.546000 Cu 0.382002 0.105205 0.5 624 63.546 0.00599723 -3.53857 63.546000 Cu 0.377261 0.138102 0.5 625 63.546 0.00430921 -3.53935 63.546000 Cu 0.412932 0.122517 1.54924e-16 623 63.546 0.00256106 -3.53909 63.546000 Cu 0.448694 0.106711 0.5 629 63.546 0.00128397 -3.53862 63.546000 Cu 0.443857 0.139818 0.5 678 63.546 0.0010388 -3.53928 63.546000 Cu 0.479496 0.123925 1.22523e-16 680 63.546 0.000537887 -3.53881 63.546000 Cu 0.510319 0.141194 0.5 683 63.546 0.000318197 -3.53901 63.546000 Cu 0.545906 0.125198 1 681 63.546 0.00103494 -3.5387 63.546000 Cu 0.515192 0.107881 0.5 682 63.546 0.000492402 -3.53839 63.546000 Cu 0.581461 0.10916 0.5 687 63.546 0.00317904 -3.53833 63.546000 Cu 0.57665 0.142653 0.5 740 63.546 0.00219441 -3.53909 63.546000 Cu 0.612099 0.126798 1 742 63.546 0.004486 -3.53882 63.546000 Cu 0.678148 0.129179 1 743 63.546 0.00506359 -3.53883 63.546000 Cu 0.647511 0.111071 0.5 744 63.546 0.00762722 -3.53834 63.546000 Cu 0.6828 0.0955779 1 746 63.546 0.0101209 -3.53729 63.546000 Cu 0.779614 0.117624 0.5 468 63.546 0.00490997 -3.53792 63.546000 Cu 0.748677 0.099118 1 747 63.546 0.00464472 -3.5371 63.546000 Cu 0.713435 0.113996 0.5 749 63.546 0.00437835 -3.53826 63.546000 Cu 0.744243 0.132373 0 796 63.546 0.00121009 -3.53865 63.546000 Cu 0.810626 0.135694 1.92005e-18 467 63.546 0.00497721 -3.53879 63.546000 Cu 0.81516 0.102898 5.58014e-17 470 63.546 0.0137736 -3.53725 63.546000 Cu 0.881993 0.10533 2.44806e-16 471 63.546 0.00627864 -3.53849 63.546000 Cu 0.846242 0.120655 0.5 473 63.546 0.00817874 -3.53864 63.546000 Cu 0.877265 0.138208 1.22283e-16 492 63.546 0.00449387 -3.5393 63.546000 Cu 0.943889 0.139943 2.03765e-16 493 63.546 0.00103985 -3.53927 63.546000 Cu 0.912966 0.122639 0.5 494 63.546 0.00255122 -3.53907 63.546000 Cu 0.948734 0.10685 1.25523e-16 496 63.546 0.00133484 -3.53867 63.546000 Cu 0.979556 0.124067 0.5 499 63.546 0.000541901 -3.53883 63.546000 Cu 0.0411756 0.158722 0.5 529 63.546 0.00048493 -3.5392 63.546000 Cu 0.072038 0.176187 1.22403e-16 564 63.546 0.00120926 -3.53948 63.546000 Cu 0.00566302 0.17464 1 523 63.546 0.000158616 -3.53937 63.546000 Cu 0.10746 0.160394 0.5 566 63.546 0.00251487 -3.53942 63.546000 Cu 0.138321 0.178115 0 565 63.546 0.00332059 -3.53968 63.546000 Cu 0.142847 0.144701 1 568 63.546 0.00449281 -3.53926 63.546000 Cu 0.173637 0.162659 0.5 571 63.546 0.0031613 -3.53949 63.546000 Cu 0.208955 0.147381 5.58014e-17 569 63.546 0.00252961 -3.5392 63.546000 Cu 0.204536 0.18069 1 614 63.546 0.00156919 -3.53946 63.546000 Cu 0.270809 0.183688 1.22523e-16 615 63.546 0.000496097 -3.53939 63.546000 Cu 0.23982 0.165581 0.5 616 63.546 0.000512482 -3.53924 63.546000 Cu 0.275184 0.150594 1 618 63.546 0.00157446 -3.53908 63.546000 Cu 0.306201 0.168616 0.5 621 63.546 0.00230148 -3.53941 63.546000 Cu 0.341675 0.153449 5.58014e-17 619 63.546 0.00411099 -3.53941 63.546000 Cu 0.337234 0.186471 1 672 63.546 0.00245721 -3.53972 63.546000 Cu 0.372707 0.171106 0.5 674 63.546 0.00282029 -3.53973 63.546000 Cu 0.403701 0.188679 1 673 63.546 0.00205683 -3.53979 63.546000 Cu 0.408252 0.155564 1.35003e-16 676 63.546 0.00228338 -3.53957 63.546000 Cu 0.474775 0.157146 4.0321e-17 677 63.546 0.000372957 -3.53931 63.546000 Cu 0.439202 0.172975 0.5 679 63.546 0.000955763 -3.53958 63.546000 Cu 0.470158 0.190372 1 734 63.546 0.00028651 -3.53957 63.546000 Cu 0.505666 0.174497 0.5 736 63.546 0.000127429 -3.53938 63.546000 Cu 0.541157 0.158575 6.08416e-17 738 63.546 0.000681232 -3.53925 63.546000 Cu 0.572042 0.176057 0.5 741 63.546 0.00150163 -3.53953 63.546000 Cu 0.60744 0.160288 5.58014e-17 739 63.546 0.00288652 -3.53945 63.546000 Cu 0.642808 0.144629 0.5 745 63.546 0.00463828 -3.53924 63.546000 Cu 0.638319 0.178055 0.5 790 63.546 0.00323306 -3.53966 63.546000 Cu 0.673619 0.162633 1 792 63.546 0.0028401 -3.53942 63.546000 Cu 0.708922 0.147381 0.5 794 63.546 0.00231195 -3.53912 63.546000 Cu 0.704532 0.180697 0.5 795 63.546 0.00144687 -3.53938 63.546000 Cu 0.775147 0.150636 0.5 469 63.546 0.00156227 -3.539 63.546000 Cu 0.77081 0.183743 0.5 486 63.546 0.00050507 -3.53927 63.546000 Cu 0.739798 0.165601 8.20821e-17 793 63.546 0.000539019 -3.53915 63.546000 Cu 0.806171 0.168687 1.06443e-16 488 63.546 0.00253741 -3.53936 63.546000 Cu 0.872688 0.171203 5.49614e-17 489 63.546 0.00281584 -3.53974 63.546000 Cu 0.841651 0.153537 0.5 490 63.546 0.00446802 -3.53938 63.546000 Cu 0.837239 0.186573 0.5 491 63.546 0.00281425 -3.53969 63.546000 Cu 0.908243 0.155675 0.5 495 63.546 0.00233666 -3.53957 63.546000 Cu 0.903712 0.188796 0.5 520 63.546 0.00200725 -3.53984 63.546000 Cu 0.939185 0.173099 1.20003e-19 522 63.546 0.00109773 -3.53961 63.546000 Cu 0.974784 0.157279 0.5 524 63.546 0.00041154 -3.5393 63.546000 Cu 0.0675576 0.209528 7.21218e-17 561 63.546 0.000787033 -3.53968 63.546000 Cu 0.0365889 0.192064 0.5 562 63.546 0.00024367 -3.53952 63.546000 Cu 0.0321661 0.225356 0.5 563 63.546 0.000135097 -3.53962 63.546000 Cu 0.098565 0.227059 0.5 608 63.546 0.00162745 -3.53985 63.546000 Cu 0.00117572 0.20794 1 560 63.546 3.37031e-05 -3.53958 63.546000 Cu 0.102952 0.193774 0.5 567 63.546 0.00175327 -3.53974 63.546000 Cu 0.133928 0.211437 7.32019e-18 610 63.546 0.00281448 -3.53984 63.546000 Cu 0.169245 0.195983 0.5 612 63.546 0.00259009 -3.53972 63.546000 Cu 0.164961 0.229237 0.5 613 63.546 0.00236268 -3.53977 63.546000 Cu 0.20023 0.213954 1 611 63.546 0.00109812 -3.53958 63.546000 Cu 0.235507 0.198788 0.5 617 63.546 0.000151699 -3.53943 63.546000 Cu 0.231269 0.231975 0.5 666 63.546 0.000220872 -3.53941 63.546000 Cu 0.266505 0.216849 1 668 63.546 0.000242421 -3.53944 63.546000 Cu 0.29759 0.234869 0.5 671 63.546 0.00092005 -3.53951 63.546000 Cu 0.301823 0.201696 0.5 670 63.546 0.00123292 -3.5396 63.546000 Cu 0.332846 0.219604 1 669 63.546 0.00203476 -3.53977 63.546000 Cu 0.368234 0.204207 0.5 675 63.546 0.00227823 -3.53988 63.546000 Cu 0.363915 0.237423 0.5 728 63.546 0.0025254 -3.53985 63.546000 Cu 0.39924 0.221849 1 730 63.546 0.00177824 -3.53988 63.546000 Cu 0.4657 0.223615 1 731 63.546 0.000297273 -3.53967 63.546000 Cu 0.43469 0.206161 0.5 732 63.546 0.000861192 -3.53974 63.546000 Cu 0.501157 0.207775 0.5 737 63.546 2.6451e-05 -3.53958 63.546000 Cu 0.5366 0.191908 1 735 63.546 0.000402128 -3.53953 63.546000 Cu 0.532158 0.225187 1 784 63.546 0.000263634 -3.53966 63.546000 Cu 0.598576 0.226946 9.91225e-17 785 63.546 0.00173874 -3.53989 63.546000 Cu 0.567559 0.209381 0.5 786 63.546 0.00113087 -3.53973 63.546000 Cu 0.602954 0.193668 1.22403e-16 788 63.546 0.0020216 -3.53977 63.546000 Cu 0.669253 0.195965 5.58014e-17 789 63.546 0.00223867 -3.53968 63.546000 Cu 0.633937 0.211371 0.5 791 63.546 0.00266818 -3.53984 63.546000 Cu 0.66499 0.229197 0 830 63.546 0.00231506 -3.53973 63.546000 Cu 0.700269 0.213952 0.5 832 63.546 0.00110473 -3.5395 63.546000 Cu 0.766598 0.216913 0.5 487 63.546 0.000174168 -3.53934 63.546000 Cu 0.797685 0.23497 0 514 63.546 0.00109504 -3.53947 63.546000 Cu 0.731339 0.232003 1.46404e-17 831 63.546 0.000197348 -3.53932 63.546000 Cu 0.73554 0.198819 5.58014e-17 834 63.546 0.000147937 -3.53931 63.546000 Cu 0.80188 0.201788 5.58014e-17 485 63.546 0.00145438 -3.5395 63.546000 Cu 0.864008 0.237565 5.58014e-17 515 63.546 0.00261823 -3.53983 63.546000 Cu 0.832945 0.219721 0.5 516 63.546 0.00213958 -3.53974 63.546000 Cu 0.868299 0.20432 1 518 63.546 0.00212347 -3.53989 63.546000 Cu 0.899336 0.221996 0.5 521 63.546 0.00176025 -3.53989 63.546000 Cu 0.970162 0.190516 0.5 525 63.546 0.000352463 -3.5396 63.546000 Cu 0.93474 0.206307 1 519 63.546 0.000913442 -3.53978 63.546000 Cu 0.965746 0.223785 0.5 558 63.546 0.000345878 -3.53967 63.546000 Cu 0.0588353 0.276005 1.22283e-16 603 63.546 0.000781459 -3.53966 63.546000 Cu 0.0277635 0.258619 0.5 604 63.546 0.000152562 -3.53961 63.546000 Cu 0.0631868 0.242789 6.18016e-17 606 63.546 0.000746428 -3.53973 63.546000 Cu 0.0942515 0.260256 0.5 609 63.546 0.00188138 -3.53982 63.546000 Cu 0.129625 0.244673 1.22403e-16 607 63.546 0.00246721 -3.53988 63.546000 Cu 0.125346 0.2778 1.29963e-16 660 63.546 0.00297956 -3.53976 63.546000 Cu 0.191854 0.280235 3.45609e-17 661 63.546 0.00223313 -3.53934 63.546000 Cu 0.160721 0.262386 0.5 662 63.546 0.00285439 -3.5397 63.546000 Cu 0.196025 0.247142 1.22523e-16 664 63.546 0.00125746 -3.53954 63.546000 Cu 0.262386 0.250026 0 665 63.546 9.22656e-05 -3.53932 63.546000 Cu 0.227154 0.265128 0.5 667 63.546 0.000483904 -3.5393 63.546000 Cu 0.258274 0.283217 1.34043e-16 722 63.546 0.000333155 -3.53911 63.546000 Cu 0.293487 0.2681 0.5 724 63.546 0.00107983 -3.53935 63.546000 Cu 0.328681 0.252829 7.32019e-17 726 63.546 0.00188888 -3.53964 63.546000 Cu 0.394978 0.255123 5.58014e-17 727 63.546 0.00199662 -3.53981 63.546000 Cu 0.359732 0.270722 0.5 729 63.546 0.00282411 -3.53966 63.546000 Cu 0.430293 0.239407 0.5 733 63.546 0.000970247 -3.53978 63.546000 Cu 0.426002 0.272734 0.5 778 63.546 0.00134337 -3.53962 63.546000 Cu 0.461344 0.256887 1.15203e-16 780 63.546 0.000334957 -3.53965 63.546000 Cu 0.49672 0.241034 0.5 782 63.546 3.50004e-05 -3.53963 63.546000 Cu 0.492354 0.274326 0.5 783 63.546 0.000112973 -3.53953 63.546000 Cu 0.527756 0.25844 1.48804e-16 781 63.546 0.000216713 -3.53964 63.546000 Cu 0.563195 0.242637 0.5 787 63.546 0.000951331 -3.53977 63.546000 Cu 0.558792 0.275851 0.5 824 63.546 0.000880966 -3.53969 63.546000 Cu 0.594253 0.260137 1.15563e-16 826 63.546 0.00190247 -3.53984 63.546000 Cu 0.660743 0.26233 1.22403e-16 827 63.546 0.00300347 -3.53965 63.546000 Cu 0.629646 0.244594 0.5 828 63.546 0.00238015 -3.53987 63.546000 Cu 0.625341 0.277701 0.5 829 63.546 0.00322933 -3.53973 63.546000 Cu 0.696073 0.247125 0.5 833 63.546 0.00139071 -3.53946 63.546000 Cu 0.69189 0.280215 0.5 861 63.546 0.00245625 -3.53923 63.546000 Cu 0.79351 0.268204 1 512 63.546 0.00126426 -3.5393 63.546000 Cu 0.762436 0.250095 0.5 513 63.546 0.000147687 -3.53924 63.546000 Cu 0.727194 0.26515 3.9121e-17 863 63.546 0.000552978 -3.53918 63.546000 Cu 0.758301 0.283299 0.5 864 63.546 0.000377594 -3.53899 63.546000 Cu 0.828749 0.25295 0.5 517 63.546 0.0019102 -3.53963 63.546000 Cu 0.859766 0.27087 1.22403e-16 552 63.546 0.00282917 -3.53965 63.546000 Cu 0.895023 0.255289 0.5 554 63.546 0.00214259 -3.53979 63.546000 Cu 0.926041 0.272924 1 553 63.546 0.00157471 -3.53963 63.546000 Cu 0.930355 0.239577 1.92005e-18 556 63.546 0.00100172 -3.53975 63.546000 Cu 0.996729 0.24122 1.22403e-16 557 63.546 0.000104107 -3.53959 63.546000 Cu 0.961367 0.25708 0.5 559 63.546 0.000449747 -3.53964 63.546000 Cu 0.992391 0.274525 1.60324e-16 602 63.546 0.00021182 -3.53952 63.546000 Cu 0.023412 0.291877 0.5 605 63.546 0.000184766 -3.53944 63.546000 Cu 0.0189741 0.32509 0.5 654 63.546 0.000401126 -3.53916 63.546000 Cu 0.0544524 0.309173 1.09563e-16 656 63.546 0.000872132 -3.5394 63.546000 Cu 0.089938 0.293389 0.5 658 63.546 0.00226163 -3.53965 63.546000 Cu 0.0855867 0.326438 0.5 659 63.546 0.00256148 -3.53924 63.546000 Cu 0.121095 0.310828 1 657 63.546 0.00413499 -3.53936 63.546000 Cu 0.156496 0.295439 0.5 663 63.546 0.0040898 -3.5394 63.546000 Cu 0.152324 0.328348 0.5 716 63.546 0.00733643 -3.53864 63.546000 Cu 0.187737 0.313229 0 718 63.546 0.00497048 -3.53869 63.546000 Cu 0.254184 0.316437 4.44011e-18 719 63.546 0.00107807 -3.5384 63.546000 Cu 0.223029 0.298231 0.5 720 63.546 0.00155503 -3.53888 63.546000 Cu 0.218992 0.331259 0.5 721 63.546 0.00495804 -3.53771 63.546000 Cu 0.289322 0.30141 0.5 725 63.546 0.00181573 -3.53893 63.546000 Cu 0.324519 0.28616 1.74004e-16 723 63.546 0.00274367 -3.53938 63.546000 Cu 0.320294 0.319603 1.22403e-16 772 63.546 0.00461555 -3.5387 63.546000 Cu 0.386368 0.321988 1 773 63.546 0.00399797 -3.53901 63.546000 Cu 0.355452 0.304156 0.5 774 63.546 0.00437845 -3.53926 63.546000 Cu 0.390714 0.288497 7.8122e-17 776 63.546 0.0025517 -3.53953 63.546000 Cu 0.456957 0.290237 1 777 63.546 0.000711453 -3.53943 63.546000 Cu 0.421642 0.306144 0.5 779 63.546 0.0019168 -3.53934 63.546000 Cu 0.452608 0.323632 4.24811e-17 818 63.546 0.00124863 -3.53912 63.546000 Cu 0.48796 0.307629 0.5 820 63.546 0.000349828 -3.53935 63.546000 Cu 0.519034 0.324906 1 819 63.546 0.000434843 -3.53925 63.546000 Cu 0.523363 0.29169 1.43764e-16 822 63.546 0.000294949 -3.53952 63.546000 Cu 0.589915 0.293257 1 823 63.546 0.00229315 -3.53968 63.546000 Cu 0.554463 0.309006 0.5 825 63.546 0.00097385 -3.53951 63.546000 Cu 0.585594 0.326302 1.20003e-19 855 63.546 0.00276379 -3.53935 63.546000 Cu 0.652277 0.328285 1 856 63.546 0.00777654 -3.53868 63.546000 Cu 0.621092 0.310717 0.5 857 63.546 0.00452741 -3.5394 63.546000 Cu 0.656509 0.295371 0 859 63.546 0.00453929 -3.53934 63.546000 Cu 0.687711 0.313211 0.5 862 63.546 0.00519927 -3.53861 63.546000 Cu 0.789323 0.301524 1 548 63.546 0.00206751 -3.53891 63.546000 Cu 0.723039 0.298272 5.58014e-17 860 63.546 0.00138424 -3.53876 63.546000 Cu 0.718913 0.331298 1 884 63.546 0.00433638 -3.53754 63.546000 Cu 0.754151 0.316528 0.5 885 63.546 0.00111648 -3.53833 63.546000 Cu 0.824536 0.286286 0.5 550 63.546 0.00274331 -3.53935 63.546000 Cu 0.855456 0.304302 7.18818e-17 549 63.546 0.00435689 -3.53924 63.546000 Cu 0.820265 0.319731 0.5 551 63.546 0.00464454 -3.53869 63.546000 Cu 0.89074 0.288664 0.5 555 63.546 0.00266257 -3.53954 63.546000 Cu 0.886323 0.322154 0.5 596 63.546 0.00417348 -3.53897 63.546000 Cu 0.921644 0.306324 1.29483e-16 598 63.546 0.00206133 -3.53931 63.546000 Cu 0.987964 0.307826 5.77215e-17 599 63.546 0.000418175 -3.53926 63.546000 Cu 0.957008 0.290433 0.5 600 63.546 0.000844288 -3.53942 63.546000 Cu 0.952539 0.323821 0.5 601 63.546 0.00144149 -3.53909 63.546000 Cu 0.0500677 0.342271 1.38484e-16 653 63.546 0.00122477 -3.53899 63.546000 Cu 0.0145567 0.358318 0.5 655 63.546 0.000501019 -3.5387 63.546000 Cu 0.0456533 0.37535 2.20326e-16 710 63.546 0.00120174 -3.53835 63.546000 Cu 0.0812302 0.359392 0.5 712 63.546 0.00339163 -3.5386 63.546000 Cu 0.112519 0.37649 2.72407e-17 711 63.546 0.00875502 -3.53751 63.546000 Cu 0.116802 0.343712 2.61607e-17 714 63.546 0.00629972 -3.53866 63.546000 Cu 0.183669 0.346059 1 715 63.546 0.0129696 -3.53717 63.546000 Cu 0.148148 0.361089 0.5 717 63.546 0.0135874 -3.53717 63.546000 Cu 0.179623 0.378684 1 764 63.546 0.0347444 -3.53365 63.546000 Cu 0.215048 0.364153 0.5 766 63.546 0.0180033 -3.53412 63.546000 Cu 0.250193 0.349708 5.58014e-17 768 63.546 0.0038884 -3.53657 63.546000 Cu 0.285204 0.334805 0.5 770 63.546 0.00379806 -3.53789 63.546000 Cu 0.281181 0.36835 0.5 771 63.546 0.00953047 -3.53538 63.546000 Cu 0.316123 0.353205 1 769 63.546 0.00917701 -3.53702 63.546000 Cu 0.351179 0.337709 0.5 775 63.546 0.00703988 -3.53837 63.546000 Cu 0.346913 0.371481 0.5 812 63.546 0.0133185 -3.53632 63.546000 Cu 0.382025 0.355619 5.58014e-17 814 63.546 0.00666611 -3.53793 63.546000 Cu 0.448169 0.357093 5.58014e-17 815 63.546 0.00188297 -3.53847 63.546000 Cu 0.41729 0.339638 0.5 816 63.546 0.00289911 -3.53875 63.546000 Cu 0.41282 0.373264 0.5 817 63.546 0.00465217 -3.53771 63.546000 Cu 0.483578 0.34095 0.5 821 63.546 0.000523652 -3.5389 63.546000 Cu 0.479128 0.374311 0.5 849 63.546 0.000868757 -3.53833 63.546000 Cu 0.514582 0.358146 7.08018e-18 851 63.546 0.000632543 -3.53875 63.546000 Cu 0.581225 0.359281 1.22403e-16 852 63.546 0.00338303 -3.53878 63.546000 Cu 0.550109 0.342121 0.5 853 63.546 0.00124812 -3.53909 63.546000 Cu 0.54568 0.375202 0.5 854 63.546 0.00150687 -3.53853 63.546000 Cu 0.616774 0.343625 0.5 858 63.546 0.00644626 -3.53881 63.546000 Cu 0.612523 0.37642 0.5 878 63.546 0.00853236 -3.53768 63.546000 Cu 0.648094 0.361045 0 880 63.546 0.0137488 -3.53722 63.546000 Cu 0.683583 0.346046 0.5 882 63.546 0.013079 -3.53705 63.546000 Cu 0.679606 0.378675 0.5 883 63.546 0.0353532 -3.53351 63.546000 Cu 0.785152 0.334902 9.42024e-17 547 63.546 0.00387586 -3.53787 63.546000 Cu 0.781116 0.368433 1 590 63.546 0.00936829 -3.53525 63.546000 Cu 0.714994 0.364181 1 881 63.546 0.0175394 -3.53386 63.546000 Cu 0.75012 0.349778 0.5 886 63.546 0.00409824 -3.53636 63.546000 Cu 0.846827 0.371628 5.58014e-17 591 63.546 0.0142885 -3.53639 63.546000 Cu 0.816054 0.353323 0.5 592 63.546 0.00905331 -3.53701 63.546000 Cu 0.851113 0.337858 5.58014e-17 594 63.546 0.00724903 -3.53832 63.546000 Cu 0.881937 0.355796 0.5 597 63.546 0.00753043 -3.53802 63.546000 Cu 0.917187 0.339826 1.57684e-16 595 63.546 0.00334588 -3.53878 63.546000 Cu 0.912757 0.373432 5.58014e-17 648 63.546 0.0048479 -3.53784 63.546000 Cu 0.979079 0.37448 2.44926e-16 649 63.546 0.000910399 -3.53834 63.546000 Cu 0.948105 0.357271 0.5 650 63.546 0.00190927 -3.53856 63.546000 Cu 0.983513 0.341141 1 652 63.546 0.000621522 -3.53894 63.546000 Cu 0.0413223 0.408403 1 707 63.546 0.00176766 -3.53773 63.546000 Cu 0.0768646 0.392294 0.5 713 63.546 0.00330616 -3.53765 63.546000 Cu 0.0726282 0.425147 0.5 758 63.546 0.00556654 -3.53715 63.546000 Cu 0.0101342 0.391512 0.5 708 63.546 0.000873359 -3.53812 63.546000 Cu 0.00597086 0.424735 0.5 709 63.546 0.00349538 -3.53801 63.546000 Cu 0.108198 0.409142 1 760 63.546 0.0103901 -3.53595 63.546000 Cu 0.175516 0.410967 1 761 63.546 0.102557 -3.52534 63.546000 Cu 0.14394 0.393626 0.5 762 63.546 0.0233599 -3.53467 63.546000 Cu 0.139582 0.425959 0.5 763 63.546 0.0310332 -3.53227 63.546000 Cu 0.211219 0.396727 0.5 767 63.546 0.0897953 -3.5213 63.546000 Cu 0.246362 0.383098 1 765 63.546 0.0193629 -3.53087 63.546000 Cu 0.242803 0.416761 1.47604e-17 806 63.546 0.117654 -3.51254 63.546000 Cu 0.277224 0.402167 0.5 808 63.546 0.0313791 -3.52855 63.546000 Cu 0.307786 0.421418 5.58014e-17 807 63.546 0.0640151 -3.51823 63.546000 Cu 0.311991 0.387093 1.93205e-17 810 63.546 0.0216296 -3.53312 63.546000 Cu 0.377629 0.389452 5.58014e-17 811 63.546 0.0112675 -3.53585 63.546000 Cu 0.342553 0.405555 0.5 813 63.546 0.0286339 -3.5315 63.546000 Cu 0.373109 0.423532 1.22403e-16 843 63.546 0.0225443 -3.53287 63.546000 Cu 0.4084 0.407013 0.5 845 63.546 0.00645005 -3.5364 63.546000 Cu 0.439447 0.424175 0 844 63.546 0.00370316 -3.5373 63.546000 Cu 0.443717 0.390616 0 847 63.546 0.00250623 -3.53769 63.546000 Cu 0.474756 0.407681 0.5 850 63.546 0.00140361 -3.53779 63.546000 Cu 0.510173 0.391353 8.35221e-17 848 63.546 0.000910403 -3.5382 63.546000 Cu 0.506014 0.424578 6.18016e-17 872 63.546 0.00336658 -3.53805 63.546000 Cu 0.572699 0.425051 1 873 63.546 0.00521768 -3.53736 63.546000 Cu 0.541374 0.40827 0.5 874 63.546 0.00179055 -3.53792 63.546000 Cu 0.576896 0.392194 5.58014e-17 876 63.546 0.00334492 -3.53788 63.546000 Cu 0.608248 0.409082 0.5 879 63.546 0.0101349 -3.53614 63.546000 Cu 0.643956 0.393592 1.22283e-16 877 63.546 0.023908 -3.53475 63.546000 Cu 0.675568 0.410971 0.5 896 63.546 0.102488 -3.52542 63.546000 Cu 0.639645 0.425932 1 894 63.546 0.0315013 -3.53247 63.546000 Cu 0.711209 0.396781 0 898 63.546 0.0841702 -3.52123 63.546000 Cu 0.777202 0.402239 5.58014e-17 589 63.546 0.0301626 -3.52838 63.546000 Cu 0.74632 0.38316 0.5 899 63.546 0.019044 -3.53062 63.546000 Cu 0.742832 0.416814 0.5 900 63.546 0.114713 -3.51242 63.546000 Cu 0.811937 0.387198 0.5 593 63.546 0.0214459 -3.53314 63.546000 Cu 0.807853 0.421496 0.5 642 63.546 0.0629803 -3.51836 63.546000 Cu 0.842554 0.405678 1.69204e-17 644 63.546 0.0292181 -3.53158 63.546000 Cu 0.877584 0.389596 0.5 646 63.546 0.0115459 -3.53602 63.546000 Cu 0.873156 0.42368 0.5 647 63.546 0.0234238 -3.53298 63.546000 Cu 0.908373 0.407171 2.11205e-17 645 63.546 0.00696963 -3.5365 63.546000 Cu 0.943668 0.390776 0.5 651 63.546 0.00259963 -3.53776 63.546000 Cu 0.939455 0.424333 0.5 704 63.546 0.00342312 -3.53739 63.546000 Cu 0.974717 0.407842 5.58014e-17 706 63.546 0.00154803 -3.53781 63.546000 Cu 0.0358605 0.474619 1 753 63.546 0.0236598 -3.53906 63.546000 Cu 0.0375579 0.441485 1 756 63.546 0.00825271 -3.53823 63.546000 Cu 0.0695467 0.458089 0.5 759 63.546 0.0194643 -3.53809 63.546000 Cu 0.00301826 0.457991 0.5 754 63.546 0.0169469 -3.53901 63.546000 Cu 0.104211 0.441765 1.22283e-16 757 63.546 0.0148882 -3.53569 63.546000 Cu 0.135869 0.458241 0.5 800 63.546 0.0509537 -3.53201 63.546000 Cu 0.171244 0.442842 5.58014e-17 802 63.546 0.323778 -3.50614 63.546000 Cu 0.102202 0.474572 1 798 63.546 0.0331957 -3.53674 63.546000 Cu 0.168223 0.474517 1 799 63.546 3.43012 -3.45807 63.546000 Cu 0.20706 0.428651 0.5 804 63.546 0.499638 -3.48043 63.546000 Cu 0.20295 0.459533 0.5 805 63.546 5.62496 -3.43069 63.546000 Cu 0.240214 0.451005 1 803 63.546 5.82613 -3.34946 63.546000 Cu 0.272943 0.436548 0.5 809 63.546 0.245078 -3.48035 63.546000 Cu 0.263913 0.474438 0.5 838 63.546 5.12262 -3.37516 63.546000 Cu 0.302442 0.457194 0 839 63.546 0.479343 -3.48041 63.546000 Cu 0.369306 0.457521 1 840 63.546 0.0281526 -3.53419 63.546000 Cu 0.337555 0.440178 0.5 841 63.546 0.102243 -3.52505 63.546000 Cu 0.334102 0.474391 0.5 842 63.546 0.160721 -3.5192 63.546000 Cu 0.404212 0.44079 0.5 846 63.546 0.0110755 -3.53671 63.546000 Cu 0.401994 0.474401 0.5 867 63.546 0.0477568 -3.53591 63.546000 Cu 0.43627 0.457706 1 868 63.546 0.0183354 -3.53822 63.546000 Cu 0.47092 0.441081 0.5 870 63.546 0.00878508 -3.53825 63.546000 Cu 0.469161 0.474431 0.5 871 63.546 0.0260295 -3.53885 63.546000 Cu 0.503053 0.457819 1.13043e-16 869 63.546 0.0162246 -3.53905 63.546000 Cu 0.537604 0.441342 0.5 875 63.546 0.00811943 -3.53836 63.546000 Cu 0.535857 0.47447 0.5 889 63.546 0.0248889 -3.53904 63.546000 Cu 0.56962 0.45799 6.85218e-17 890 63.546 0.0185641 -3.53821 63.546000 Cu 0.604285 0.441705 0.5 892 63.546 0.0145082 -3.53587 63.546000 Cu 0.635952 0.458229 1.05243e-16 891 63.546 0.0495551 -3.5322 63.546000 Cu 0.671309 0.442863 0.5 897 63.546 0.316624 -3.50657 63.546000 Cu 0.602277 0.474504 0.5 893 63.546 0.0321776 -3.53675 63.546000 Cu 0.668334 0.474537 0.5 410 63.546 3.37085 -3.45765 63.546000 Cu 0.702995 0.459596 1 408 63.546 5.5986 -3.43174 63.546000 Cu 0.707142 0.428715 1 895 63.546 0.47727 -3.48066 63.546000 Cu 0.740232 0.451015 0.5 183 63.546 5.80591 -3.35148 63.546000 Cu 0.764016 0.474401 0 639 63.546 5.1109 -3.3771 63.546000 Cu 0.773056 0.436601 1 640 63.546 0.239745 -3.48127 63.546000 Cu 0.802498 0.457262 0.5 643 63.546 0.476447 -3.48221 63.546000 Cu 0.837629 0.440305 1 641 63.546 0.103858 -3.52521 63.546000 Cu 0.834174 0.474496 1 698 63.546 0.157777 -3.51957 63.546000 Cu 0.86936 0.457662 0.5 700 63.546 0.0280525 -3.53438 63.546000 Cu 0.902064 0.474578 5.58014e-17 699 63.546 0.0456794 -3.536 63.546000 Cu 0.904272 0.440957 0 702 63.546 0.0103593 -3.53679 63.546000 Cu 0.970937 0.441255 1.22403e-16 703 63.546 0.00816063 -3.53827 63.546000 Cu 0.936278 0.457876 0.5 705 63.546 0.0189601 -3.53822 63.546000 Cu 0.969188 0.474616 4.12811e-17 752 63.546 0.0254434 -3.53891 63.546000 Cu 0.0376898 0.507753 1.22523e-16 3 63.546 0.0092925 -3.53805 63.546000 Cu 0.0695982 0.491116 0.5 797 63.546 0.0206684 -3.5381 63.546000 Cu 0.00307242 0.491251 0.5 755 63.546 0.0178872 -3.53889 63.546000 Cu 0.171313 0.506177 1.67764e-16 1 63.546 0.326748 -3.50597 63.546000 Cu 0.104332 0.507387 2.30406e-17 4 63.546 0.0161763 -3.53577 63.546000 Cu 0.139795 0.52314 0.5 6 63.546 0.0331733 -3.53224 63.546000 Cu 0.135915 0.490848 0.5 801 63.546 0.0520758 -3.53211 63.546000 Cu 0.202917 0.489423 0.5 835 63.546 5.62114 -3.43156 63.546000 Cu 0.20727 0.5203 0.5 2 63.546 0.503118 -3.47998 63.546000 Cu 0.273107 0.512254 0.5 185 63.546 0.247486 -3.48103 63.546000 Cu 0.240243 0.497864 0 836 63.546 5.83262 -3.349 63.546000 Cu 0.302507 0.491621 1 837 63.546 0.477962 -3.48144 63.546000 Cu 0.337685 0.508604 0.5 135 63.546 0.10549 -3.52505 63.546000 Cu 0.369365 0.491268 1 865 63.546 0.0291085 -3.53399 63.546000 Cu 0.470999 0.507786 0.5 93 63.546 0.0102647 -3.53797 63.546000 Cu 0.404321 0.508033 0.5 134 63.546 0.0122478 -3.53634 63.546000 Cu 0.436307 0.491154 8.0042e-17 866 63.546 0.0194239 -3.53805 63.546000 Cu 0.503081 0.491075 5.58014e-17 887 63.546 0.017044 -3.53888 63.546000 Cu 0.537669 0.507589 0.5 92 63.546 0.00930386 -3.53796 63.546000 Cu 0.569632 0.491 5.58014e-17 888 63.546 0.0199154 -3.53804 63.546000 Cu 0.63974 0.52311 2.40006e-19 57 63.546 0.0337084 -3.53227 63.546000 Cu 0.671365 0.506192 0.5 58 63.546 0.343731 -3.50473 63.546000 Cu 0.604338 0.50731 0.5 59 63.546 0.0158577 -3.53562 63.546000 Cu 0.635987 0.490821 1 453 63.546 0.0500025 -3.53201 63.546000 Cu 0.703062 0.489515 1 451 63.546 5.66627 -3.43214 63.546000 Cu 0.740433 0.497771 0.5 31 63.546 5.91241 -3.34497 63.546000 Cu 0.707177 0.520358 2.40006e-19 60 63.546 0.537975 -3.47784 63.546000 Cu 0.772985 0.512332 1 696 63.546 0.254585 -3.48026 63.546000 Cu 0.802601 0.491659 0.5 697 63.546 0.482154 -3.47971 63.546000 Cu 0.837662 0.508713 2.77207e-17 32 63.546 0.107741 -3.52514 63.546000 Cu 0.86942 0.491404 0.5 701 63.546 0.0276912 -3.53401 63.546000 Cu 0.904349 0.508211 1 13 63.546 0.0111686 -3.53632 63.546000 Cu 0.971051 0.507976 1 14 63.546 0.00923897 -3.53799 63.546000 Cu 0.936324 0.491345 0.5 751 63.546 0.0194164 -3.53805 63.546000 Cu 0.0728739 0.524058 0.5 7 63.546 0.00660145 -3.53704 63.546000 Cu 0.00622054 0.524492 0.5 16 63.546 0.00376776 -3.53761 63.546000 Cu 0.0417019 0.540837 1.22523e-16 18 63.546 0.00262364 -3.53738 63.546000 Cu 0.0774199 0.556897 0.5 20 63.546 0.00400016 -3.53735 63.546000 Cu 0.010676 0.557716 0.5 21 63.546 0.0012133 -3.53757 63.546000 Cu 0.108567 0.540004 5.58014e-17 5 63.546 0.0111624 -3.53574 63.546000 Cu 0.175877 0.538053 1.16883e-16 8 63.546 0.105984 -3.52531 63.546000 Cu 0.180347 0.570317 5.58014e-17 9 63.546 0.0365346 -3.5336 63.546000 Cu 0.144485 0.555453 0.5 11 63.546 0.0248591 -3.53446 63.546000 Cu 0.211729 0.55218 0.5 10 63.546 0.0874076 -3.52121 63.546000 Cu 0.243107 0.532074 0 184 63.546 0.122988 -3.51232 63.546000 Cu 0.277638 0.546616 0.5 189 63.546 0.0337009 -3.5288 63.546000 Cu 0.247008 0.565748 1 241 63.546 0.0201159 -3.53109 63.546000 Cu 0.37334 0.525263 1 133 63.546 0.0234068 -3.53255 63.546000 Cu 0.308049 0.527362 0 186 63.546 0.0650571 -3.51854 63.546000 Cu 0.312563 0.561687 1.20003e-19 187 63.546 0.0224959 -3.53331 63.546000 Cu 0.342919 0.543197 0.5 188 63.546 0.0316613 -3.53139 63.546000 Cu 0.378172 0.559319 1 190 63.546 0.012945 -3.53559 63.546000 Cu 0.439654 0.52468 1 136 63.546 0.00407218 -3.53684 63.546000 Cu 0.444252 0.55824 1 137 63.546 0.00197143 -3.53708 63.546000 Cu 0.475076 0.541189 0.5 138 63.546 0.00188561 -3.53721 63.546000 Cu 0.408741 0.5418 0.5 139 63.546 0.00665076 -3.53595 63.546000 Cu 0.572845 0.523936 1.85525e-16 94 63.546 0.00636939 -3.53685 63.546000 Cu 0.506174 0.524314 7.45219e-17 91 63.546 0.00439355 -3.53754 63.546000 Cu 0.57736 0.556786 1.93805e-16 95 63.546 0.00420065 -3.53717 63.546000 Cu 0.541662 0.540661 0.5 97 63.546 0.00221464 -3.5372 63.546000 Cu 0.510677 0.557532 0 140 63.546 0.000951294 -3.53747 63.546000 Cu 0.675768 0.538069 0.5 63 63.546 0.111381 -3.52507 63.546000 Cu 0.608499 0.539932 0.5 96 63.546 0.0114871 -3.53565 63.546000 Cu 0.644389 0.555431 1.20003e-19 98 63.546 0.025809 -3.53445 63.546000 Cu 0.680265 0.570329 0.5 100 63.546 0.038476 -3.53362 63.546000 Cu 0.71161 0.552217 6.39616e-17 61 63.546 0.091762 -3.52084 63.546000 Cu 0.743024 0.532073 0.5 62 63.546 0.135231 -3.51126 63.546000 Cu 0.7775 0.54667 3.60009e-19 64 63.546 0.0343479 -3.52913 63.546000 Cu 0.746922 0.565774 0.5 67 63.546 0.0209069 -3.53127 63.546000 Cu 0.842863 0.54332 4.81212e-17 33 63.546 0.0300569 -3.53159 63.546000 Cu 0.873303 0.525387 0.5 34 63.546 0.0247181 -3.53245 63.546000 Cu 0.807992 0.527424 0.5 35 63.546 0.0672965 -3.51828 63.546000 Cu 0.878131 0.559459 0.5 39 63.546 0.0118898 -3.53555 63.546000 Cu 0.812485 0.561739 0.5 66 63.546 0.0245057 -3.53344 63.546000 Cu 0.975093 0.541369 1 15 63.546 0.00163884 -3.53726 63.546000 Cu 0.939652 0.524865 0.5 17 63.546 0.00394414 -3.53693 63.546000 Cu 0.908695 0.541967 5.58014e-17 36 63.546 0.00680614 -3.53589 63.546000 Cu 0.944229 0.558403 0.5 38 63.546 0.00212335 -3.53706 63.546000 Cu 0.0463813 0.573865 5.58014e-17 19 63.546 0.00199063 -3.53799 63.546000 Cu 0.0821555 0.589749 0.5 25 63.546 0.00338315 -3.53831 63.546000 Cu 0.0154621 0.590908 0.5 42 63.546 0.000917697 -3.53825 63.546000 Cu 0.0512066 0.606904 7.34419e-17 44 63.546 0.0015578 -3.5387 63.546000 Cu 0.113272 0.572623 1.28403e-17 22 63.546 0.00870253 -3.53725 63.546000 Cu 0.11795 0.605368 1 23 63.546 0.00617141 -3.53855 63.546000 Cu 0.149085 0.58796 0.5 24 63.546 0.0145366 -3.53711 63.546000 Cu 0.184769 0.602926 3.60009e-18 26 63.546 0.0140833 -3.53724 63.546000 Cu 0.21592 0.58476 0.5 12 63.546 0.0177288 -3.53436 63.546000 Cu 0.220237 0.617652 0.5 28 63.546 0.00487847 -3.53773 63.546000 Cu 0.251216 0.599122 0 242 63.546 0.00434065 -3.53677 63.546000 Cu 0.281972 0.580442 0.5 243 63.546 0.0110293 -3.53559 63.546000 Cu 0.286398 0.613982 0.5 247 63.546 0.00459871 -3.53807 63.546000 Cu 0.382928 0.593141 1.05003e-16 191 63.546 0.00746938 -3.53775 63.546000 Cu 0.347644 0.577282 0.5 193 63.546 0.0144595 -3.53624 63.546000 Cu 0.317086 0.595563 1 244 63.546 0.00993779 -3.53721 63.546000 Cu 0.352315 0.611039 0.5 246 63.546 0.0078454 -3.53836 63.546000 Cu 0.479859 0.574553 0.5 143 63.546 0.000685421 -3.53776 63.546000 Cu 0.413543 0.575519 0.5 192 63.546 0.00558983 -3.53735 63.546000 Cu 0.449067 0.591721 5.58014e-17 194 63.546 0.00196824 -3.53808 63.546000 Cu 0.484663 0.607855 0.5 196 63.546 0.00066088 -3.53847 63.546000 Cu 0.418378 0.609119 0.5 197 63.546 0.00346745 -3.53846 63.546000 Cu 0.515512 0.590728 5.48414e-17 141 63.546 0.000490821 -3.53813 63.546000 Cu 0.546388 0.573719 0.5 142 63.546 0.00161948 -3.53777 63.546000 Cu 0.582173 0.589658 0 144 63.546 0.00357764 -3.53823 63.546000 Cu 0.55121 0.606771 0.5 147 63.546 0.00142605 -3.53861 63.546000 Cu 0.613216 0.572558 0.5 101 63.546 0.00886744 -3.53719 63.546000 Cu 0.649045 0.587935 2.74807e-17 99 63.546 0.0149141 -3.5371 63.546000 Cu 0.684739 0.602919 0.5 105 63.546 0.0142871 -3.53721 63.546000 Cu 0.617928 0.605321 0.5 146 63.546 0.00676378 -3.53856 63.546000 Cu 0.781931 0.580481 1.12203e-16 65 63.546 0.0114974 -3.5358 63.546000 Cu 0.71589 0.584785 5.58014e-17 102 63.546 0.0188845 -3.53439 63.546000 Cu 0.720246 0.617643 1.22523e-16 103 63.546 0.0046586 -3.53782 63.546000 Cu 0.751199 0.599142 0.5 104 63.546 0.00466584 -3.53692 63.546000 Cu 0.786422 0.61402 1.34283e-16 106 63.546 0.0048915 -3.53819 63.546000 Cu 0.847616 0.577371 5.58014e-17 68 63.546 0.0149151 -3.53637 63.546000 Cu 0.852317 0.611142 9.40824e-17 69 63.546 0.00784248 -3.53825 63.546000 Cu 0.882908 0.59326 0.5 70 63.546 0.00794942 -3.53763 63.546000 Cu 0.817076 0.595619 0.5 71 63.546 0.0105562 -3.53723 63.546000 Cu 0.913546 0.575693 1.72564e-16 37 63.546 0.00422568 -3.53723 63.546000 Cu 0.979821 0.57473 1.43644e-16 40 63.546 0.000853102 -3.53774 63.546000 Cu 0.984669 0.60807 0 41 63.546 0.000483301 -3.53843 63.546000 Cu 0.949063 0.591917 0.5 43 63.546 0.00131398 -3.53796 63.546000 Cu 0.918367 0.609296 5.36414e-17 72 63.546 0.00312661 -3.5383 63.546000 Cu 0.0559364 0.639981 1.09443e-16 45 63.546 0.00106973 -3.53935 63.546000 Cu 0.0869283 0.622672 0.5 46 63.546 0.00231364 -3.53913 63.546000 Cu 0.0203385 0.624107 0.5 47 63.546 0.000702293 -3.53889 63.546000 Cu 0.0249637 0.657297 0.5 78 63.546 0.000362686 -3.53943 63.546000 Cu 0.0914772 0.655716 0.5 51 63.546 0.0021509 -3.53963 63.546000 Cu 0.153642 0.620702 0.5 29 63.546 0.00875598 -3.53869 63.546000 Cu 0.122553 0.638255 1.04883e-16 48 63.546 0.00442988 -3.53935 63.546000 Cu 0.158041 0.653615 0.5 50 63.546 0.00568149 -3.5393 63.546000 Cu 0.189157 0.635757 5.58014e-17 27 63.546 0.00578355 -3.53865 63.546000 Cu 0.224555 0.650659 0.5 30 63.546 0.0013856 -3.53876 63.546000 Cu 0.25554 0.632382 1.22283e-16 295 63.546 0.00131575 -3.53843 63.546000 Cu 0.259855 0.665593 0 296 63.546 0.000707066 -3.53903 63.546000 Cu 0.290799 0.647372 0.5 297 63.546 0.00234005 -3.53898 63.546000 Cu 0.321615 0.629154 6.74417e-17 245 63.546 0.00517883 -3.53878 63.546000 Cu 0.38769 0.626758 5.58014e-17 248 63.546 0.00449321 -3.53894 63.546000 Cu 0.356895 0.644583 0.5 251 63.546 0.00509024 -3.53923 63.546000 Cu 0.326018 0.662612 1 298 63.546 0.00260216 -3.53932 63.546000 Cu 0.392175 0.660231 1 249 63.546 0.00336069 -3.53954 63.546000 Cu 0.453871 0.625143 3.67209e-16 195 63.546 0.00143821 -3.53881 63.546000 Cu 0.42307 0.642602 0.5 250 63.546 0.0023715 -3.53921 63.546000 Cu 0.458498 0.65853 5.58014e-17 252 63.546 0.000831479 -3.53933 63.546000 Cu 0.489384 0.641161 0.5 201 63.546 0.000457561 -3.53903 63.546000 Cu 0.586882 0.622607 3.8281e-17 145 63.546 0.00298218 -3.53905 63.546000 Cu 0.520279 0.62393 8.52022e-17 198 63.546 0.000471989 -3.53882 63.546000 Cu 0.524903 0.657138 2.24766e-16 199 63.546 0.000328719 -3.53929 63.546000 Cu 0.555876 0.63986 0.5 200 63.546 0.00116093 -3.53921 63.546000 Cu 0.591441 0.655626 1 202 63.546 0.00257218 -3.53952 63.546000 Cu 0.653613 0.620673 0 148 63.546 0.00893047 -3.53863 63.546000 Cu 0.658086 0.65355 1 149 63.546 0.00514655 -3.53926 63.546000 Cu 0.622532 0.638206 0.5 151 63.546 0.00506203 -3.53925 63.546000 Cu 0.689205 0.635729 0.5 150 63.546 0.00583591 -3.53867 63.546000 Cu 0.755594 0.63239 0.5 109 63.546 0.00154305 -3.5386 63.546000 Cu 0.72463 0.650653 0 152 63.546 0.00167703 -3.53887 63.546000 Cu 0.759912 0.665626 0.5 154 63.546 0.00067857 -3.53908 63.546000 Cu 0.790853 0.647426 0 107 63.546 0.00238767 -3.53906 63.546000 Cu 0.887705 0.626909 0.5 75 63.546 0.00434232 -3.53876 63.546000 Cu 0.82166 0.629225 0.5 108 63.546 0.00561821 -3.53878 63.546000 Cu 0.85696 0.644715 2.26686e-16 110 63.546 0.00474517 -3.5392 63.546000 Cu 0.826086 0.662696 0.5 113 63.546 0.00306108 -3.53938 63.546000 Cu 0.892272 0.660403 0.5 112 63.546 0.00287674 -3.53945 63.546000 Cu 0.989464 0.641363 6.00015e-17 76 63.546 0.000397428 -3.53911 63.546000 Cu 0.923129 0.642792 7.6802e-18 73 63.546 0.00208566 -3.5391 63.546000 Cu 0.953917 0.625357 0.5 74 63.546 0.00100925 -3.53871 63.546000 Cu 0.958538 0.658733 0.5 79 63.546 0.000556528 -3.53933 63.546000 Cu 0.0604471 0.673122 1.22403e-16 80 63.546 0.000931706 -3.53967 63.546000 Cu 0.0647836 0.706314 1.22283e-16 81 63.546 0.000923911 -3.53981 63.546000 Cu 0.0293998 0.690527 0.5 83 63.546 0.000291898 -3.53965 63.546000 Cu 0.095869 0.688815 0.5 82 63.546 0.00182375 -3.53983 63.546000 Cu 0.126947 0.671258 7.9682e-17 49 63.546 0.00319444 -3.5397 63.546000 Cu 0.162346 0.686618 0.5 55 63.546 0.00359764 -3.53955 63.546000 Cu 0.131223 0.704346 1.22403e-16 84 63.546 0.0025833 -3.53984 63.546000 Cu 0.193464 0.668729 8.76022e-18 52 63.546 0.0027784 -3.53915 63.546000 Cu 0.197677 0.701779 1 53 63.546 0.00134232 -3.53936 63.546000 Cu 0.22879 0.683741 0.5 54 63.546 0.000408671 -3.53912 63.546000 Cu 0.264042 0.698787 0 341 63.546 0.000369492 -3.53925 63.546000 Cu 0.295087 0.680697 0.5 301 63.546 0.00124811 -3.53934 63.546000 Cu 0.29925 0.713942 0.5 343 63.546 0.000918449 -3.53945 63.546000 Cu 0.330303 0.695963 2.40006e-18 299 63.546 0.00155258 -3.53961 63.546000 Cu 0.361243 0.678021 0.5 300 63.546 0.00314379 -3.5396 63.546000 Cu 0.365536 0.711347 0.5 305 63.546 0.00229032 -3.53981 63.546000 Cu 0.396504 0.693593 0 302 63.546 0.00286739 -3.53977 63.546000 Cu 0.462873 0.691839 1 253 63.546 0.000591934 -3.53961 63.546000 Cu 0.427507 0.675989 0.5 255 63.546 0.0019099 -3.53961 63.546000 Cu 0.431862 0.709303 0.5 304 63.546 0.00155817 -3.53973 63.546000 Cu 0.493927 0.674458 0.5 254 63.546 0.000180246 -3.53944 63.546000 Cu 0.498256 0.707722 0.5 259 63.546 0.00010384 -3.53955 63.546000 Cu 0.560401 0.673003 0.5 205 63.546 0.00114688 -3.53959 63.546000 Cu 0.52935 0.690366 7.58419e-17 256 63.546 0.000297797 -3.53958 63.546000 Cu 0.564747 0.706193 0.5 258 63.546 0.0011393 -3.53976 63.546000 Cu 0.595849 0.688719 0 203 63.546 0.00207998 -3.5398 63.546000 Cu 0.626927 0.671178 0.5 204 63.546 0.00321671 -3.53966 63.546000 Cu 0.662346 0.686549 9.12023e-18 206 63.546 0.00299391 -3.5396 63.546000 Cu 0.631236 0.70427 0.5 209 63.546 0.00256888 -3.53986 63.546000 Cu 0.693509 0.66869 0.5 155 63.546 0.00260554 -3.5392 63.546000 Cu 0.697654 0.701756 0.5 208 63.546 0.00126391 -3.53946 63.546000 Cu 0.728807 0.683755 1 153 63.546 0.000556486 -3.53917 63.546000 Cu 0.764009 0.698825 0.5 159 63.546 0.000204666 -3.53926 63.546000 Cu 0.795126 0.680747 1 156 63.546 0.00153272 -3.53936 63.546000 Cu 0.799222 0.713984 6.78017e-17 157 63.546 0.00120911 -3.5395 63.546000 Cu 0.861345 0.678158 1.63804e-16 111 63.546 0.00310143 -3.53965 63.546000 Cu 0.830332 0.696031 0.5 158 63.546 0.00225006 -3.53965 63.546000 Cu 0.865555 0.711458 1.34403e-17 160 63.546 0.0027896 -3.53985 63.546000 Cu 0.896615 0.69379 0.5 117 63.546 0.00195814 -3.53977 63.546000 Cu 0.993967 0.674654 1.14003e-16 77 63.546 0.000115574 -3.5395 63.546000 Cu 0.998345 0.707922 7.36819e-17 118 63.546 1.21558e-05 -3.53963 63.546000 Cu 0.927596 0.676205 2.64007e-18 114 63.546 0.00124867 -3.53955 63.546000 Cu 0.931948 0.709531 1 115 63.546 0.000749256 -3.53976 63.546000 Cu 0.962969 0.69207 0.5 116 63.546 0.000262489 -3.53961 63.546000 Cu 0.00272293 0.741205 1.20003e-19 119 63.546 3.92073e-05 -3.53957 63.546000 Cu 0.0337276 0.723788 0.5 120 63.546 0.000452214 -3.53967 63.546000 Cu 0.069125 0.739585 9.26424e-17 122 63.546 0.0012266 -3.53975 63.546000 Cu 0.0381427 0.757084 0.5 125 63.546 0.000665163 -3.53959 63.546000 Cu 0.135489 0.737554 5.58014e-17 85 63.546 0.00263912 -3.53985 63.546000 Cu 0.166567 0.719717 0.5 86 63.546 0.00231418 -3.53966 63.546000 Cu 0.100125 0.722005 0.5 87 63.546 0.00191618 -3.53989 63.546000 Cu 0.170756 0.752928 0.5 90 63.546 0.00193613 -3.53964 63.546000 Cu 0.104504 0.755282 0.5 124 63.546 0.0022629 -3.53981 63.546000 Cu 0.232933 0.716878 0.5 56 63.546 0.000117623 -3.53923 63.546000 Cu 0.201812 0.734934 1 88 63.546 0.000876961 -3.53941 63.546000 Cu 0.268099 0.731979 1.22403e-16 342 63.546 0.000241726 -3.53924 63.546000 Cu 0.237002 0.750062 0.5 379 63.546 0.000216873 -3.53924 63.546000 Cu 0.334472 0.729188 1.69324e-16 344 63.546 0.00173913 -3.53969 63.546000 Cu 0.369812 0.744551 0.5 346 63.546 0.00236482 -3.53984 63.546000 Cu 0.303315 0.747097 0.5 347 63.546 0.00151563 -3.53943 63.546000 Cu 0.400877 0.726877 2.26686e-16 303 63.546 0.0023506 -3.53986 63.546000 Cu 0.467254 0.725117 1.72204e-16 306 63.546 0.000543713 -3.53959 63.546000 Cu 0.471699 0.758397 1.44844e-16 307 63.546 0.000329481 -3.53954 63.546000 Cu 0.43626 0.742575 0.5 309 63.546 0.00126259 -3.53973 63.546000 Cu 0.40522 0.760061 1.38724e-16 348 63.546 0.00251453 -3.5398 63.546000 Cu 0.533667 0.723617 8.12421e-17 257 63.546 0.000402439 -3.5396 63.546000 Cu 0.569083 0.739444 0.5 263 63.546 0.0011128 -3.53971 63.546000 Cu 0.502697 0.741016 0.5 308 63.546 2.16998e-05 -3.53949 63.546000 Cu 0.538091 0.756911 1.22523e-16 310 63.546 0.000411142 -3.53953 63.546000 Cu 0.666545 0.719669 1 207 63.546 0.00210058 -3.53972 63.546000 Cu 0.600117 0.721901 2.56927e-16 260 63.546 0.00196609 -3.53987 63.546000 Cu 0.604433 0.755191 1 261 63.546 0.00243912 -3.53977 63.546000 Cu 0.635452 0.737482 0.5 262 63.546 0.00254488 -3.53985 63.546000 Cu 0.670703 0.7529 1 264 63.546 0.00200299 -3.53967 63.546000 Cu 0.732894 0.716903 0 210 63.546 0.00018169 -3.53934 63.546000 Cu 0.737012 0.750089 1 211 63.546 0.000152897 -3.53931 63.546000 Cu 0.768118 0.732025 0.5 212 63.546 0.000172873 -3.53935 63.546000 Cu 0.701775 0.734938 0.5 213 63.546 0.00105846 -3.5395 63.546000 Cu 0.869813 0.744685 0 161 63.546 0.00230787 -3.53988 63.546000 Cu 0.834467 0.729264 0.5 163 63.546 0.00226089 -3.53976 63.546000 Cu 0.803378 0.747162 4.0321e-17 214 63.546 0.00155734 -3.53952 63.546000 Cu 0.967311 0.725336 0.5 121 63.546 0.000245045 -3.53967 63.546000 Cu 0.900889 0.727058 0.5 162 63.546 0.00169718 -3.53988 63.546000 Cu 0.93626 0.742771 1 164 63.546 0.000931413 -3.53975 63.546000 Cu 0.971712 0.758594 0.5 166 63.546 0.000204256 -3.53957 63.546000 Cu 0.905201 0.76025 0.5 167 63.546 0.00194157 -3.5398 63.546000 Cu 0.0735274 0.772908 1 123 63.546 0.0018588 -3.53962 63.546000 Cu 0.00716702 0.774486 1 168 63.546 0.000140393 -3.53944 63.546000 Cu 0.0116797 0.807771 0 169 63.546 0.000382696 -3.53916 63.546000 Cu 0.0426121 0.790399 0.5 170 63.546 0.000984798 -3.53939 63.546000 Cu 0.0779987 0.806289 1.22523e-16 172 63.546 0.00244327 -3.53929 63.546000 Cu 0.139789 0.770833 1 126 63.546 0.00258183 -3.5397 63.546000 Cu 0.144163 0.804245 1.37644e-16 127 63.546 0.00394237 -3.53926 63.546000 Cu 0.175064 0.786234 0.5 128 63.546 0.00242708 -3.53941 63.546000 Cu 0.10888 0.788627 0.5 129 63.546 0.00276165 -3.53955 63.546000 Cu 0.206002 0.768172 5.58014e-17 89 63.546 0.00124185 -3.53937 63.546000 Cu 0.210288 0.801472 1 130 63.546 0.00200768 -3.539 63.546000 Cu 0.272247 0.765121 7.22418e-17 380 63.546 0.000612291 -3.53922 63.546000 Cu 0.276561 0.798223 1 381 63.546 0.00128864 -3.53877 63.546000 Cu 0.241246 0.783266 0.5 383 63.546 0.000440264 -3.53909 63.546000 Cu 0.338687 0.762289 4.71612e-17 345 63.546 0.0027861 -3.5396 63.546000 Cu 0.374136 0.77763 0.5 351 63.546 0.00337189 -3.53969 63.546000 Cu 0.307595 0.780164 0.5 382 63.546 0.00253605 -3.53923 63.546000 Cu 0.343047 0.795282 1.69564e-16 384 63.546 0.00522842 -3.53928 63.546000 Cu 0.409616 0.793171 1.22523e-16 349 63.546 0.00286628 -3.53962 63.546000 Cu 0.440675 0.775779 0.5 350 63.546 0.00124179 -3.53962 63.546000 Cu 0.476093 0.791657 5.58014e-17 352 63.546 0.000313749 -3.53936 63.546000 Cu 0.445105 0.80895 0.5 355 63.546 0.00119545 -3.53933 63.546000 Cu 0.542484 0.790271 1.77365e-16 311 63.546 0.000887017 -3.53931 63.546000 Cu 0.57344 0.772783 0.5 312 63.546 0.001587 -3.53956 63.546000 Cu 0.507097 0.774317 0.5 313 63.546 0.000115326 -3.53942 63.546000 Cu 0.577868 0.806196 0.5 317 63.546 0.00225272 -3.5392 63.546000 Cu 0.511566 0.80764 0.5 354 63.546 0.000334935 -3.53907 63.546000 Cu 0.674932 0.786218 5.58014e-17 265 63.546 0.0027635 -3.53941 63.546000 Cu 0.639691 0.770785 0.5 267 63.546 0.00281009 -3.53967 63.546000 Cu 0.608741 0.788559 1.09203e-17 314 63.546 0.00292183 -3.53951 63.546000 Cu 0.644041 0.804212 0.5 316 63.546 0.00440735 -3.53929 63.546000 Cu 0.772258 0.765168 0.5 217 63.546 0.000526946 -3.53925 63.546000 Cu 0.705933 0.768171 0.5 266 63.546 0.00129918 -3.53938 63.546000 Cu 0.741149 0.783276 1 268 63.546 0.000447478 -3.53913 63.546000 Cu 0.77646 0.798269 0.5 270 63.546 0.00144463 -3.53894 63.546000 Cu 0.710178 0.801461 0.5 271 63.546 0.00184315 -3.5391 63.546000 Cu 0.807572 0.780251 3.60009e-19 215 63.546 0.00254024 -3.5393 63.546000 Cu 0.838719 0.762406 0.5 216 63.546 0.00273471 -3.53968 63.546000 Cu 0.874125 0.777797 5.58014e-17 218 63.546 0.00287581 -3.53971 63.546000 Cu 0.842998 0.795422 0.5 221 63.546 0.00459304 -3.53933 63.546000 Cu 0.940683 0.775976 1.92005e-18 165 63.546 0.00086035 -3.53961 63.546000 Cu 0.976169 0.791819 0.5 171 63.546 0.000268767 -3.53938 63.546000 Cu 0.909616 0.793351 0.5 220 63.546 0.00236967 -3.53957 63.546000 Cu 0.945181 0.809114 1.22403e-16 222 63.546 0.000989371 -3.53931 63.546000 Cu 0.082467 0.839797 5.58014e-17 173 63.546 0.00369425 -3.53862 63.546000 Cu 0.0471211 0.823774 0.5 175 63.546 0.00140352 -3.53903 63.546000 Cu 0.0162019 0.841102 3.69609e-17 226 63.546 0.000689449 -3.5388 63.546000 Cu 0.179363 0.819678 0.5 132 63.546 0.00438874 -3.5387 63.546000 Cu 0.113314 0.822116 0.5 174 63.546 0.00449077 -3.53893 63.546000 Cu 0.148512 0.837807 0 176 63.546 0.00679121 -3.53827 63.546000 Cu 0.183579 0.853273 0.5 178 63.546 0.00908128 -3.53704 63.546000 Cu 0.117728 0.85577 0.5 179 63.546 0.0080748 -3.53778 63.546000 Cu 0.214478 0.834851 0 131 63.546 0.0041256 -3.5379 63.546000 Cu 0.245487 0.816491 0.5 411 63.546 0.00146019 -3.53833 63.546000 Cu 0.280727 0.831227 5.58014e-17 412 63.546 0.00418445 -3.53737 63.546000 Cu 0.249528 0.849714 0.5 415 63.546 0.00447216 -3.53643 63.546000 Cu 0.347385 0.828172 5.23213e-17 385 63.546 0.00937918 -3.53856 63.546000 Cu 0.37854 0.810629 0.5 386 63.546 0.0049159 -3.53935 63.546000 Cu 0.311926 0.813126 0.5 387 63.546 0.00571703 -3.53852 63.546000 Cu 0.382942 0.843527 0.5 391 63.546 0.00716974 -3.53868 63.546000 Cu 0.316095 0.845953 0.5 414 63.546 0.0131816 -3.53685 63.546000 Cu 0.480648 0.824897 5.58014e-17 353 63.546 0.000407601 -3.53898 63.546000 Cu 0.414069 0.826232 0 388 63.546 0.00298262 -3.53921 63.546000 Cu 0.44964 0.842081 0.5 390 63.546 0.00128779 -3.53889 63.546000 Cu 0.547043 0.823664 7.8842e-17 356 63.546 0.00123036 -3.53892 63.546000 Cu 0.551656 0.857103 1.20003e-19 357 63.546 0.00180672 -3.53835 63.546000 Cu 0.58247 0.839688 0.5 358 63.546 0.00321482 -3.53863 63.546000 Cu 0.516167 0.840976 0.5 359 63.546 0.00064081 -3.53871 63.546000 Cu 0.613254 0.82205 9.84025e-18 315 63.546 0.00444453 -3.53893 63.546000 Cu 0.679319 0.819661 5.58014e-17 318 63.546 0.00473165 -3.53885 63.546000 Cu 0.683702 0.853245 2.10005e-17 319 63.546 0.00936241 -3.53719 63.546000 Cu 0.648568 0.837756 0.5 321 63.546 0.00701474 -3.53844 63.546000 Cu 0.617815 0.855672 3.55209e-17 360 63.546 0.00758696 -3.53792 63.546000 Cu 0.745442 0.816492 8.11221e-17 269 63.546 0.00121218 -3.53862 63.546000 Cu 0.780756 0.831273 0.5 275 63.546 0.00466832 -3.53775 63.546000 Cu 0.71454 0.834847 0.5 320 63.546 0.00403334 -3.53811 63.546000 Cu 0.749625 0.849734 1 322 63.546 0.00416076 -3.53666 63.546000 Cu 0.878547 0.810794 6.12016e-17 219 63.546 0.00405072 -3.5393 63.546000 Cu 0.81187 0.813223 2.96408e-17 272 63.546 0.00537376 -3.53872 63.546000 Cu 0.816151 0.846043 1 273 63.546 0.0129532 -3.53706 63.546000 Cu 0.847403 0.828302 0.5 274 63.546 0.00835602 -3.53859 63.546000 Cu 0.883001 0.84367 1.22523e-16 276 63.546 0.00638305 -3.53862 63.546000 Cu 0.949707 0.842219 2.89087e-16 223 63.546 0.0013268 -3.53895 63.546000 Cu 0.98073 0.825026 0.5 224 63.546 0.000531049 -3.53905 63.546000 Cu 0.914139 0.826382 0.5 225 63.546 0.00272284 -3.53917 63.546000 Cu 0.0516226 0.857234 0.5 228 63.546 0.00198089 -3.53832 63.546000 Cu 0.0207321 0.874444 8.20821e-17 227 63.546 0.000931907 -3.53812 63.546000 Cu 0.0869915 0.873429 7.27219e-17 230 63.546 0.00558562 -3.53752 63.546000 Cu 0.0561668 0.890774 0.5 233 63.546 0.00250753 -3.53745 63.546000 Cu 0.152867 0.871588 1 177 63.546 0.0139763 -3.5362 63.546000 Cu 0.12225 0.889608 0.5 232 63.546 0.0133585 -3.53579 63.546000 Cu 0.187854 0.887136 0.5 182 63.546 0.0212175 -3.53321 63.546000 Cu 0.218571 0.868362 1 180 63.546 0.00982315 -3.53547 63.546000 Cu 0.222691 0.902141 1.53724e-16 181 63.546 0.0299402 -3.52858 63.546000 Cu 0.284727 0.86407 1.22523e-16 413 63.546 0.0182055 -3.5338 63.546000 Cu 0.253479 0.883041 0.5 433 63.546 0.0191093 -3.53094 63.546000 Cu 0.288706 0.896622 1.22403e-16 434 63.546 0.0887835 -3.52077 63.546000 Cu 0.351657 0.860916 2.40006e-19 416 63.546 0.015425 -3.53709 63.546000 Cu 0.355984 0.893449 1.20003e-19 417 63.546 0.0248295 -3.53461 63.546000 Cu 0.38733 0.876313 0.5 418 63.546 0.00859924 -3.5375 63.546000 Cu 0.320256 0.87853 0.5 419 63.546 0.0372502 -3.53331 63.546000 Cu 0.418537 0.8592 9.27624e-17 389 63.546 0.00349851 -3.53855 63.546000 Cu 0.485212 0.858125 1.36323e-16 392 63.546 0.000493444 -3.53848 63.546000 Cu 0.454201 0.875151 0.5 395 63.546 0.00154653 -3.53817 63.546000 Cu 0.423051 0.892098 1.20003e-19 420 63.546 0.0037712 -3.53763 63.546000 Cu 0.489777 0.891335 2.40006e-19 393 63.546 0.000991681 -3.5379 63.546000 Cu 0.587046 0.873294 0.5 363 63.546 0.00490988 -3.53763 63.546000 Cu 0.520752 0.874301 0.5 394 63.546 0.000882444 -3.53813 63.546000 Cu 0.556205 0.890623 1 396 63.546 0.00226275 -3.53749 63.546000 Cu 0.622309 0.889487 0 361 63.546 0.0122203 -3.53589 63.546000 Cu 0.652974 0.871514 0.5 362 63.546 0.0136129 -3.5364 63.546000 Cu 0.687948 0.887107 5.58014e-17 364 63.546 0.0215625 -3.53337 63.546000 Cu 0.753553 0.883087 1.22403e-16 323 63.546 0.0189452 -3.53111 63.546000 Cu 0.784804 0.864136 0.5 324 63.546 0.0180916 -3.53414 63.546000 Cu 0.718691 0.868366 0.5 325 63.546 0.00981723 -3.53555 63.546000 Cu 0.722763 0.902165 0.5 366 63.546 0.0306091 -3.52881 63.546000 Cu 0.788744 0.896716 0.5 329 63.546 0.0864147 -3.52135 63.546000 Cu 0.887337 0.876441 1 277 63.546 0.00839198 -3.53746 63.546000 Cu 0.851704 0.861036 0.5 279 63.546 0.0146443 -3.53712 63.546000 Cu 0.820286 0.878634 1.22523e-16 326 63.546 0.0361578 -3.53359 63.546000 Cu 0.855977 0.893571 0.5 328 63.546 0.0242369 -3.53468 63.546000 Cu 0.989755 0.891483 0.5 282 63.546 0.00103831 -3.53789 63.546000 Cu 0.985227 0.85826 0.5 229 63.546 0.000562593 -3.53854 63.546000 Cu 0.91858 0.85934 0.5 278 63.546 0.00331327 -3.53857 63.546000 Cu 0.954199 0.875288 1.20003e-19 280 63.546 0.00160895 -3.53821 63.546000 Cu 0.923032 0.892231 0.5 283 63.546 0.00371749 -3.5376 63.546000 Cu 0.0252161 0.907835 6.12016e-17 284 63.546 0.00164926 -3.53756 63.546000 Cu 0.0290929 0.941225 1 285 63.546 0.00930149 -3.53824 63.546000 Cu 0.0605584 0.924322 0.5 286 63.546 0.00421972 -3.53726 63.546000 Cu 0.0915762 0.90718 1.03923e-16 231 63.546 0.00766473 -3.5363 63.546000 Cu 0.0958066 0.940945 7.7522e-17 288 63.546 0.012358 -3.53668 63.546000 Cu 0.157392 0.905667 5.05213e-17 234 63.546 0.0311977 -3.53138 63.546000 Cu 0.162485 0.94028 5.58014e-17 235 63.546 0.109802 -3.52482 63.546000 Cu 0.126865 0.923672 0.5 237 63.546 0.0248501 -3.53283 63.546000 Cu 0.192158 0.921443 0.5 236 63.546 0.0645828 -3.51772 63.546000 Cu 0.22704 0.93649 8.96423e-17 238 63.546 0.246236 -3.47934 63.546000 Cu 0.257146 0.916684 0.5 437 63.546 0.118983 -3.51198 63.546000 Cu 0.259736 0.950939 0.5 447 63.546 5.82722 -3.34769 63.546000 Cu 0.292921 0.928509 2.44806e-16 435 63.546 0.511936 -3.47994 63.546000 Cu 0.324455 0.910804 0.5 436 63.546 0.106902 -3.52528 63.546000 Cu 0.360383 0.925788 1.22403e-16 438 63.546 0.0318463 -3.53245 63.546000 Cu 0.328704 0.942699 0.5 441 63.546 0.327251 -3.50597 63.546000 Cu 0.391759 0.908967 0.5 423 63.546 0.0104217 -3.53595 63.546000 Cu 0.39573 0.941585 0.5 440 63.546 0.0146407 -3.53578 63.546000 Cu 0.427341 0.924968 0 421 63.546 0.00564581 -3.53717 63.546000 Cu 0.458635 0.90821 0.5 422 63.546 0.00188809 -3.53762 63.546000 Cu 0.462461 0.941283 0.5 427 63.546 0.00889253 -3.53822 63.546000 Cu 0.494053 0.924552 1 424 63.546 0.00402146 -3.53782 63.546000 Cu 0.560603 0.924166 1.14003e-17 397 63.546 0.00410956 -3.53721 63.546000 Cu 0.52525 0.90768 0.5 399 63.546 0.00157296 -3.53757 63.546000 Cu 0.529147 0.941071 0.5 426 63.546 0.00927777 -3.53822 63.546000 Cu 0.591613 0.907031 0.5 398 63.546 0.00688723 -3.53627 63.546000 Cu 0.595846 0.940806 0.5 403 63.546 0.0120771 -3.53661 63.546000 Cu 0.657432 0.90558 0.5 367 63.546 0.0297023 -3.53153 63.546000 Cu 0.626896 0.923548 9.36024e-17 400 63.546 0.023206 -3.53281 63.546000 Cu 0.662486 0.940192 0.5 402 63.546 0.104933 -3.52496 63.546000 Cu 0.692201 0.92141 5.58014e-17 365 63.546 0.0635915 -3.51832 63.546000 Cu 0.757206 0.916747 5.58014e-17 368 63.546 0.117387 -3.5126 63.546000 Cu 0.759799 0.950966 1 369 63.546 5.81445 -3.34978 63.546000 Cu 0.727042 0.936523 0.5 371 63.546 0.244073 -3.48066 63.546000 Cu 0.792942 0.928617 0.5 370 63.546 0.498835 -3.4808 63.546000 Cu 0.824459 0.910926 0 327 63.546 0.103396 -3.52558 63.546000 Cu 0.860372 0.925911 0.5 333 63.546 0.0312203 -3.53241 63.546000 Cu 0.828727 0.942819 1 372 63.546 0.318999 -3.50624 63.546000 Cu 0.891735 0.909087 1.84805e-17 330 63.546 0.0106186 -3.53591 63.546000 Cu 0.895729 0.941703 7.7402e-17 331 63.546 0.015417 -3.53574 63.546000 Cu 0.994012 0.924703 0.5 287 63.546 0.00399775 -3.53779 63.546000 Cu 0.958607 0.908346 5.72415e-17 281 63.546 0.00193712 -3.53757 63.546000 Cu 0.927314 0.925094 0.5 332 63.546 0.00574469 -3.5371 63.546000 Cu 0.962425 0.941421 1 334 63.546 0.00906043 -3.53819 63.546000 Cu 0.0637359 0.957832 0.5 291 63.546 0.0180129 -3.5382 63.546000 Cu 0.0308294 0.974575 0 338 63.546 0.0251663 -3.53887 63.546000 Cu 0.0637259 0.991294 0.5 339 63.546 0.0197775 -3.53807 63.546000 Cu 0.0980064 0.97456 1 289 63.546 0.0460561 -3.53583 63.546000 Cu 0.197589 0.957262 0.5 240 63.546 0.492336 -3.47999 63.546000 Cu 0.130719 0.957663 0.5 290 63.546 0.028895 -3.53413 63.546000 Cu 0.16595 0.974502 7.02018e-17 292 63.546 0.160192 -3.51928 63.546000 Cu 0.130693 0.991414 0.5 294 63.546 0.0293606 -3.53382 63.546000 Cu 0.197563 0.991688 0.5 293 63.546 0.486233 -3.48036 63.546000 Cu 0.259775 0.997891 0.5 511 63.546 5.81569 -3.35016 63.546000 Cu 0.236062 0.974435 5.64014e-17 239 63.546 5.12169 -3.37362 63.546000 Cu 0.296976 0.959413 8.42422e-17 448 63.546 5.63276 -3.43127 63.546000 Cu 0.29701 0.989313 4.29611e-17 449 63.546 5.61826 -3.43157 63.546000 Cu 0.364034 0.958087 0 439 63.546 0.0481756 -3.53208 63.546000 Cu 0.331671 0.974365 0.5 450 63.546 3.42314 -3.45782 63.546000 Cu 0.364035 0.990667 1 452 63.546 0.04907 -3.53208 63.546000 Cu 0.397724 0.974387 0.5 445 63.546 0.0312194 -3.53677 63.546000 Cu 0.430401 0.957893 6.32416e-17 442 63.546 0.0180295 -3.53818 63.546000 Cu 0.430415 0.990899 1 443 63.546 0.0200976 -3.53813 63.546000 Cu 0.464181 0.974404 0.5 444 63.546 0.0238185 -3.53909 63.546000 Cu 0.497003 0.957792 1.11963e-16 425 63.546 0.0157591 -3.539 63.546000 Cu 0.497011 0.991043 1.22523e-16 446 63.546 0.0179504 -3.53897 63.546000 Cu 0.563794 0.957683 9.63625e-17 428 63.546 0.0181592 -3.53817 63.546000 Cu 0.563782 0.991158 1 429 63.546 0.0198679 -3.53808 63.546000 Cu 0.530906 0.974427 0.5 431 63.546 0.0257836 -3.53887 63.546000 Cu 0.598052 0.974425 0.5 430 63.546 0.0462801 -3.5359 63.546000 Cu 0.697602 0.957194 1.28403e-17 404 63.546 0.48151 -3.48122 63.546000 Cu 0.630752 0.957544 1.22403e-16 401 63.546 0.0289396 -3.53416 63.546000 Cu 0.665961 0.974403 0.5 407 63.546 0.159986 -3.51961 63.546000 Cu 0.630709 0.991295 5.58014e-17 432 63.546 0.028853 -3.53392 63.546000 Cu 0.697542 0.99161 0 405 63.546 0.48496 -3.48034 63.546000 Cu 0.759714 0.997833 0 454 63.546 5.85254 -3.3473 63.546000 Cu 0.736036 0.974391 0.5 406 63.546 5.09559 -3.37565 63.546000 Cu 0.796994 0.959526 0.5 375 63.546 5.60854 -3.43072 63.546000 Cu 0.797002 0.989408 0.5 409 63.546 5.63506 -3.43094 63.546000 Cu 0.831692 0.974475 1 373 63.546 3.42508 -3.45765 63.546000 Cu 0.864048 0.958204 0.5 374 63.546 0.0494993 -3.53195 63.546000 Cu 0.864025 0.990784 0.5 378 63.546 0.0491999 -3.53206 63.546000 Cu 0.897716 0.974517 1 376 63.546 0.0318925 -3.53675 63.546000 Cu 0.996938 0.957942 0.5 336 63.546 0.0155388 -3.53901 63.546000 Cu 0.996931 0.99119 0.5 340 63.546 0.0173158 -3.53896 63.546000 Cu 0.964116 0.974552 1.22403e-16 335 63.546 0.0233892 -3.53908 63.546000 Cu 0.930373 0.958023 0.5 337 63.546 0.0182901 -3.53816 63.546000 Cu 0.93036 0.991046 0.5 377 63.546 0.0196622 -3.53815