Number of particles = 974 A = 1 Angstrom (basic length-scale) H0(1,1) = 28.2017 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 112.943 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.62076 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 0.0830354 0.0046212 1 502 63.546 0.045229 -3.52509 63.546000 Cu 0.033635 0.0158222 0.5 503 63.546 0.00880155 -3.53174 63.546000 Cu 0.0742538 0.0277532 1 515 63.546 0.0286789 -3.5362 63.546000 Cu 0.123322 0.0168832 0.5 517 63.546 0.100022 -3.5337 63.546000 Cu 0.16341 0.0299297 1 516 63.546 0.0744283 -3.53938 63.546000 Cu 0.172318 0.0064493 1.04205e-17 519 63.546 0.30656 -3.52183 63.546000 Cu 0.211307 0.0203683 0.5 521 63.546 0.106258 -3.51612 63.546000 Cu 0.260251 0.0125101 1 520 63.546 0.571773 -3.46142 63.546000 Cu 0.310554 0.00320954 0.5 522 63.546 0.483079 -3.50397 63.546000 Cu 0.301953 0.0248298 0.5 543 63.546 0.152658 -3.52095 63.546000 Cu 0.352049 0.0146144 7.71358e-17 545 63.546 0.0342992 -3.53591 63.546000 Cu 0.443112 0.0152973 4.79104e-19 546 63.546 0.00457937 -3.53566 63.546000 Cu 0.401803 0.00387571 0.5 547 63.546 0.0211113 -3.53652 63.546000 Cu 0.393312 0.0261332 0.5 548 63.546 0.00701182 -3.53724 63.546000 Cu 0.492586 0.00421749 0.5 549 63.546 0.0163875 -3.53355 63.546000 Cu 0.4841 0.0268774 0.5 577 63.546 0.00258564 -3.53548 63.546000 Cu 0.533635 0.0158222 1 579 63.546 0.00880155 -3.53174 63.546000 Cu 0.623322 0.0168832 1 580 63.546 0.100022 -3.5337 63.546000 Cu 0.583035 0.0046212 0.5 581 63.546 0.045229 -3.52509 63.546000 Cu 0.574254 0.0277532 0.5 582 63.546 0.0286789 -3.5362 63.546000 Cu 0.672318 0.0064493 0.5 583 63.546 0.30656 -3.52183 63.546000 Cu 0.66341 0.0299297 0.5 619 63.546 0.0744283 -3.53938 63.546000 Cu 0.711307 0.0203683 2.39552e-19 621 63.546 0.106258 -3.51612 63.546000 Cu 0.760251 0.0125101 0.5 623 63.546 0.571773 -3.46142 63.546000 Cu 0.810554 0.00320954 1.90444e-17 491 63.546 0.483079 -3.50397 63.546000 Cu 0.852049 0.0146144 0.5 493 63.546 0.0342992 -3.53591 63.546000 Cu 0.801953 0.0248298 1 622 63.546 0.152658 -3.52095 63.546000 Cu 0.901803 0.00387571 1 492 63.546 0.0211113 -3.53652 63.546000 Cu 0.893312 0.0261332 1.64333e-16 497 63.546 0.00701182 -3.53724 63.546000 Cu 0.9841 0.0268774 1.48882e-16 498 63.546 0.00258564 -3.53548 63.546000 Cu 0.943112 0.0152973 0.5 499 63.546 0.00457937 -3.53566 63.546000 Cu 0.992586 0.00421749 1 501 63.546 0.0163875 -3.53355 63.546000 Cu 0.0655098 0.0507405 2.39552e-19 512 63.546 0.0167763 -3.5397 63.546000 Cu 0.0248587 0.038656 0.5 513 63.546 0.00745291 -3.53694 63.546000 Cu 0.0162397 0.0614253 0.5 514 63.546 0.0053128 -3.53901 63.546000 Cu 0.114601 0.040158 0.5 518 63.546 0.0421053 -3.54055 63.546000 Cu 0.154918 0.0529877 1 537 63.546 0.0227276 -3.54083 63.546000 Cu 0.244397 0.0563687 1 538 63.546 0.0225509 -3.53146 63.546000 Cu 0.203504 0.0432598 0.5 539 63.546 0.0185607 -3.53429 63.546000 Cu 0.252354 0.0342248 7.88126e-17 541 63.546 0.100335 -3.51569 63.546000 Cu 0.34344 0.0366578 4.87489e-17 542 63.546 0.0283522 -3.53495 63.546000 Cu 0.293756 0.0467428 0.5 544 63.546 0.0533762 -3.52942 63.546000 Cu 0.335099 0.0588083 1 571 63.546 0.0168075 -3.53609 63.546000 Cu 0.384742 0.0484219 0.5 573 63.546 0.00695896 -3.53771 63.546000 Cu 0.425858 0.0602118 2.39552e-19 572 63.546 0.00165809 -3.53831 63.546000 Cu 0.434437 0.0377482 1 575 63.546 0.00219603 -3.53742 63.546000 Cu 0.475388 0.0494974 0.5 578 63.546 0.00186922 -3.5379 63.546000 Cu 0.524859 0.038656 4.03645e-17 576 63.546 0.00745291 -3.53694 63.546000 Cu 0.51624 0.0614253 2.39552e-19 613 63.546 0.0053128 -3.53901 63.546000 Cu 0.56551 0.0507405 0.5 615 63.546 0.0167763 -3.5397 63.546000 Cu 0.614601 0.040158 1 617 63.546 0.0421053 -3.54055 63.546000 Cu 0.703504 0.0432598 1 618 63.546 0.0185607 -3.53429 63.546000 Cu 0.654918 0.0529877 0.5 620 63.546 0.0227276 -3.54083 63.546000 Cu 0.744397 0.0563687 0.5 663 63.546 0.0225509 -3.53146 63.546000 Cu 0.752354 0.0342248 0.5 624 63.546 0.100335 -3.51569 63.546000 Cu 0.84344 0.0366578 0.5 495 63.546 0.0283522 -3.53495 63.546000 Cu 0.835099 0.0588083 0.5 496 63.546 0.0168075 -3.53609 63.546000 Cu 0.793756 0.0467428 6.36011e-17 665 63.546 0.0533762 -3.52942 63.546000 Cu 0.884742 0.0484219 1 494 63.546 0.00695896 -3.53771 63.546000 Cu 0.934437 0.0377482 0.5 500 63.546 0.00219603 -3.53742 63.546000 Cu 0.925858 0.0602118 0.5 509 63.546 0.00165809 -3.53831 63.546000 Cu 0.975388 0.0494974 1 511 63.546 0.00186922 -3.5379 63.546000 Cu 0.056962 0.0735874 1 533 63.546 0.00915367 -3.54057 63.546000 Cu 0.10602 0.0631611 0.5 535 63.546 0.0174278 -3.54133 63.546000 Cu 0.0976429 0.0860019 0.5 536 63.546 0.00661875 -3.5412 63.546000 Cu 0.00777767 0.0841173 0.5 531 63.546 0.00351832 -3.53998 63.546000 Cu 0.146603 0.0758224 1 534 63.546 0.00787784 -3.54107 63.546000 Cu 0.195459 0.0659373 0.5 540 63.546 0.00446095 -3.53823 63.546000 Cu 0.187333 0.0885356 0.5 565 63.546 0.00155826 -3.53938 63.546000 Cu 0.236359 0.0787055 1 567 63.546 0.00683841 -3.53642 63.546000 Cu 0.326848 0.081058 1 568 63.546 0.00890279 -3.53727 63.546000 Cu 0.285609 0.0688819 0.5 569 63.546 0.0200346 -3.53463 63.546000 Cu 0.27748 0.0911553 0.5 570 63.546 0.00783114 -3.53708 63.546000 Cu 0.368033 0.0931 0.5 607 63.546 0.00272134 -3.53842 63.546000 Cu 0.376333 0.0707438 0.5 574 63.546 0.00469574 -3.53802 63.546000 Cu 0.417454 0.0826624 1 609 63.546 0.00094586 -3.53868 63.546000 Cu 0.46688 0.0720891 0.5 611 63.546 0.00131879 -3.53889 63.546000 Cu 0.507778 0.0841173 2.65903e-16 610 63.546 0.00351832 -3.53998 63.546000 Cu 0.60602 0.0631611 2.39552e-19 614 63.546 0.0174278 -3.54133 63.546000 Cu 0.556962 0.0735874 0.5 616 63.546 0.00915367 -3.54057 63.546000 Cu 0.597643 0.0860019 1 657 63.546 0.00661875 -3.5412 63.546000 Cu 0.687333 0.0885356 1 658 63.546 0.00155826 -3.53938 63.546000 Cu 0.646603 0.0758224 0.5 659 63.546 0.00787784 -3.54107 63.546000 Cu 0.695459 0.0659373 5.34201e-17 661 63.546 0.00446095 -3.53823 63.546000 Cu 0.736359 0.0787055 0.5 664 63.546 0.00683841 -3.53642 63.546000 Cu 0.868033 0.0931 1 504 63.546 0.00272134 -3.53842 63.546000 Cu 0.826848 0.081058 0.5 505 63.546 0.00890279 -3.53727 63.546000 Cu 0.785609 0.0688819 1 662 63.546 0.0200346 -3.53463 63.546000 Cu 0.77748 0.0911553 1 705 63.546 0.00783114 -3.53708 63.546000 Cu 0.876333 0.0707438 1 507 63.546 0.00469574 -3.53802 63.546000 Cu 0.96688 0.0720891 1.41695e-16 508 63.546 0.00131879 -3.53889 63.546000 Cu 0.917454 0.0826624 0.5 510 63.546 0.00094586 -3.53868 63.546000 Cu 0.0485988 0.0963372 4.49879e-16 530 63.546 0.00443252 -3.54087 63.546000 Cu 0.0402665 0.119028 1 559 63.546 0.0017037 -3.54085 63.546000 Cu 0.0893647 0.108721 0.5 561 63.546 0.00293051 -3.541 63.546000 Cu 0.130181 0.121184 1 560 63.546 0.00103976 -3.54041 63.546000 Cu 0.138365 0.0985403 3.67712e-17 563 63.546 0.00272503 -3.5406 63.546000 Cu 0.228279 0.10112 0 564 63.546 0.00246166 -3.53832 63.546000 Cu 0.179212 0.111099 0.5 566 63.546 0.000609846 -3.53967 63.546000 Cu 0.220177 0.123569 1.22651e-16 601 63.546 0.000962989 -3.53893 63.546000 Cu 0.269364 0.113514 0.5 603 63.546 0.00328782 -3.53817 63.546000 Cu 0.318643 0.10338 2.00026e-17 605 63.546 0.00436257 -3.53807 63.546000 Cu 0.359788 0.115495 0.5 608 63.546 0.00133317 -3.53901 63.546000 Cu 0.409143 0.105119 1.19776e-19 606 63.546 0.000511573 -3.53931 63.546000 Cu 0.458483 0.0946456 0.5 612 63.546 0.000953354 -3.53963 63.546000 Cu 0.450186 0.117201 0.5 651 63.546 0.000578575 -3.53989 63.546000 Cu 0.499408 0.106767 1 653 63.546 0.0018055 -3.54055 63.546000 Cu 0.589365 0.108721 1 654 63.546 0.00293051 -3.541 63.546000 Cu 0.548599 0.0963372 0.5 655 63.546 0.00443252 -3.54087 63.546000 Cu 0.540267 0.119028 0.5 656 63.546 0.0017037 -3.54085 63.546000 Cu 0.638365 0.0985403 0.5 660 63.546 0.00272503 -3.5406 63.546000 Cu 0.630181 0.121184 0.5 699 63.546 0.00103976 -3.54041 63.546000 Cu 0.679212 0.111099 7.60578e-17 701 63.546 0.000609846 -3.53967 63.546000 Cu 0.728279 0.10112 0.5 703 63.546 0.00246166 -3.53832 63.546000 Cu 0.720177 0.123569 0.5 704 63.546 0.000962989 -3.53893 63.546000 Cu 0.818643 0.10338 0.5 506 63.546 0.00436257 -3.53807 63.546000 Cu 0.859788 0.115495 1 525 63.546 0.00133317 -3.53901 63.546000 Cu 0.769364 0.113514 1 702 63.546 0.00328782 -3.53817 63.546000 Cu 0.950186 0.117201 3.07824e-17 526 63.546 0.000578575 -3.53989 63.546000 Cu 0.909143 0.105119 0.5 527 63.546 0.000511573 -3.53931 63.546000 Cu 0.958483 0.0946456 5.7253e-17 529 63.546 0.000953354 -3.53963 63.546000 Cu 0.999408 0.106767 0.5 532 63.546 0.0018055 -3.54055 63.546000 Cu 0.0320185 0.141661 1 556 63.546 0.00064859 -3.54048 63.546000 Cu 0.0811222 0.13138 0.5 562 63.546 0.00112076 -3.54074 63.546000 Cu 0.0729757 0.153987 0.5 595 63.546 0.000587756 -3.54039 63.546000 Cu 0.122033 0.143784 1.84455e-16 597 63.546 0.000392125 -3.54039 63.546000 Cu 0.212101 0.146052 0 598 63.546 0.000495594 -3.53948 63.546000 Cu 0.171094 0.133636 0.5 599 63.546 0.000258407 -3.53987 63.546000 Cu 0.163041 0.156182 0.5 600 63.546 0.000146676 -3.53992 63.546000 Cu 0.261243 0.135925 0.5 604 63.546 0.00140532 -3.53906 63.546000 Cu 0.310467 0.125755 1 602 63.546 0.00190616 -3.53877 63.546000 Cu 0.302365 0.148184 1 645 63.546 0.000926097 -3.53931 63.546000 Cu 0.351609 0.137928 0.5 647 63.546 0.000627758 -3.53924 63.546000 Cu 0.392709 0.150078 1 646 63.546 0.000159036 -3.53959 63.546000 Cu 0.40089 0.127596 1 649 63.546 0.000261232 -3.53954 63.546000 Cu 0.491095 0.129378 9.3066e-17 650 63.546 0.000963883 -3.54036 63.546000 Cu 0.441903 0.139745 0.5 652 63.546 0.000310232 -3.53984 63.546000 Cu 0.482907 0.15196 1 693 63.546 0.000489034 -3.54035 63.546000 Cu 0.572976 0.153987 1 694 63.546 0.000587756 -3.54039 63.546000 Cu 0.532018 0.141661 0.5 695 63.546 0.00064859 -3.54048 63.546000 Cu 0.581122 0.13138 2.15357e-16 697 63.546 0.00112076 -3.54074 63.546000 Cu 0.622033 0.143784 0.5 700 63.546 0.000392125 -3.54039 63.546000 Cu 0.671094 0.133636 1 698 63.546 0.000258407 -3.53987 63.546000 Cu 0.663041 0.156182 2.39552e-19 741 63.546 0.000146676 -3.53992 63.546000 Cu 0.712101 0.146052 0.5 743 63.546 0.000495594 -3.53948 63.546000 Cu 0.761243 0.135925 1 745 63.546 0.00140532 -3.53906 63.546000 Cu 0.851609 0.137928 1.64093e-17 523 63.546 0.000627758 -3.53924 63.546000 Cu 0.810467 0.125755 0.5 524 63.546 0.00190616 -3.53877 63.546000 Cu 0.802365 0.148184 0.5 746 63.546 0.000926097 -3.53931 63.546000 Cu 0.90089 0.127596 0.5 528 63.546 0.000261232 -3.53954 63.546000 Cu 0.892709 0.150078 0.5 553 63.546 0.000159036 -3.53959 63.546000 Cu 0.941903 0.139745 2.39552e-19 555 63.546 0.000310232 -3.53984 63.546000 Cu 0.991095 0.129378 0.5 557 63.546 0.000963883 -3.54036 63.546000 Cu 0.982907 0.15196 0.5 558 63.546 0.000489034 -3.54035 63.546000 Cu 0.01615 0.18683 1 590 63.546 0.000143697 -3.54031 63.546000 Cu 0.0239222 0.164253 0 593 63.546 0.000401582 -3.54049 63.546000 Cu 0.11403 0.166359 1 594 63.546 0.000228492 -3.54008 63.546000 Cu 0.0650698 0.17657 0.5 596 63.546 0.000342414 -3.54016 63.546000 Cu 0.155187 0.178718 0.5 639 63.546 0.000164209 -3.53979 63.546000 Cu 0.204159 0.168549 1 641 63.546 0.000292785 -3.53962 63.546000 Cu 0.245415 0.180869 0.5 644 63.546 0.00035133 -3.53967 63.546000 Cu 0.253192 0.158384 0.5 643 63.546 0.000773312 -3.5393 63.546000 Cu 0.294421 0.170651 1 642 63.546 0.000498856 -3.53944 63.546000 Cu 0.343504 0.16039 0.5 648 63.546 0.000328588 -3.53948 63.546000 Cu 0.33569 0.182884 0.5 687 63.546 0.00013605 -3.53989 63.546000 Cu 0.384699 0.172594 1 689 63.546 0.000167267 -3.53994 63.546000 Cu 0.474915 0.174546 1 690 63.546 0.000187234 -3.54044 63.546000 Cu 0.433772 0.162287 0.5 691 63.546 0.000242412 -3.54027 63.546000 Cu 0.425953 0.184839 0.5 692 63.546 7.92685e-05 -3.54042 63.546000 Cu 0.523922 0.164253 0.5 696 63.546 0.000401582 -3.54049 63.546000 Cu 0.51615 0.18683 0.5 735 63.546 0.000143697 -3.54031 63.546000 Cu 0.56507 0.17657 1 737 63.546 0.000342414 -3.54016 63.546000 Cu 0.61403 0.166359 0.5 739 63.546 0.000228492 -3.54008 63.546000 Cu 0.655187 0.178718 1 738 63.546 0.000164209 -3.53979 63.546000 Cu 0.704159 0.168549 0.5 744 63.546 0.000292785 -3.53962 63.546000 Cu 0.745415 0.180869 2.39552e-19 785 63.546 0.00035133 -3.53967 63.546000 Cu 0.753192 0.158384 1 742 63.546 0.000773312 -3.5393 63.546000 Cu 0.83569 0.182884 7.18656e-18 550 63.546 0.00013605 -3.53989 63.546000 Cu 0.843504 0.16039 1 551 63.546 0.000328588 -3.53948 63.546000 Cu 0.794421 0.170651 0.5 786 63.546 0.000498856 -3.53944 63.546000 Cu 0.884699 0.172594 0.5 554 63.546 0.000167267 -3.53994 63.546000 Cu 0.933772 0.162287 1 552 63.546 0.000242412 -3.54027 63.546000 Cu 0.925953 0.184839 7.85731e-17 589 63.546 7.92685e-05 -3.54042 63.546000 Cu 0.974915 0.174546 0.5 591 63.546 0.000187234 -3.54044 63.546000 Cu 0.0986449 0.211448 0 634 63.546 0.000292206 -3.54009 63.546000 Cu 0.0574226 0.199137 0.5 635 63.546 0.000169392 -3.54007 63.546000 Cu 0.106333 0.188905 1.19776e-19 637 63.546 0.000159513 -3.53999 63.546000 Cu 0.00847577 0.209386 1.22531e-16 633 63.546 0.000371695 -3.54014 63.546000 Cu 0.196534 0.191066 0 638 63.546 0.00010514 -3.53981 63.546000 Cu 0.147619 0.201251 0.5 640 63.546 8.29711e-05 -3.54001 63.546000 Cu 0.188864 0.213584 3.05189e-16 681 63.546 0.000300928 -3.53978 63.546000 Cu 0.23784 0.203379 0.5 683 63.546 0.000219703 -3.53968 63.546000 Cu 0.27906 0.215677 5.1863e-17 682 63.546 0.000345066 -3.53979 63.546000 Cu 0.286768 0.193156 1 685 63.546 0.000239835 -3.53974 63.546000 Cu 0.328076 0.205414 0.5 688 63.546 0.000177482 -3.54008 63.546000 Cu 0.369251 0.217693 2.13201e-17 729 63.546 0.000286975 -3.54009 63.546000 Cu 0.377028 0.195139 1 686 63.546 4.56229e-05 -3.54027 63.546000 Cu 0.418273 0.2074 0.5 731 63.546 0.000152882 -3.54023 63.546000 Cu 0.467243 0.197121 1 733 63.546 6.79729e-05 -3.54022 63.546000 Cu 0.508476 0.209386 0.5 736 63.546 0.000371695 -3.54014 63.546000 Cu 0.557423 0.199137 0 734 63.546 0.000169392 -3.54007 63.546000 Cu 0.606333 0.188905 0.5 740 63.546 0.000159513 -3.53999 63.546000 Cu 0.598645 0.211448 0.5 779 63.546 0.000292206 -3.54009 63.546000 Cu 0.647619 0.201251 2.45301e-16 781 63.546 8.29711e-05 -3.54001 63.546000 Cu 0.73784 0.203379 1.95475e-16 782 63.546 0.000219703 -3.53968 63.546000 Cu 0.696534 0.191066 0.5 783 63.546 0.00010514 -3.53981 63.546000 Cu 0.688864 0.213584 0.5 784 63.546 0.000300928 -3.53978 63.546000 Cu 0.828076 0.205414 1 585 63.546 0.000177482 -3.54008 63.546000 Cu 0.869251 0.217693 0.5 588 63.546 0.000286975 -3.54009 63.546000 Cu 0.786768 0.193156 0.5 787 63.546 0.000239835 -3.53974 63.546000 Cu 0.77906 0.215677 0.5 826 63.546 0.000345066 -3.53979 63.546000 Cu 0.877028 0.195139 0.5 587 63.546 4.56229e-05 -3.54027 63.546000 Cu 0.918273 0.2074 1 586 63.546 0.000152882 -3.54023 63.546000 Cu 0.967243 0.197121 0.5 592 63.546 6.79729e-05 -3.54022 63.546000 Cu 0.049578 0.221687 0.5 636 63.546 0.000318604 -3.54016 63.546000 Cu 0.0412963 0.244223 0.5 675 63.546 9.72411e-05 -3.54003 63.546000 Cu 0.0905484 0.233976 2.45182e-16 677 63.546 0.000200796 -3.53978 63.546000 Cu 0.000377455 0.231946 1.61099e-16 630 63.546 0.000107494 -3.54011 63.546000 Cu 0.139769 0.223777 0.5 679 63.546 0.000253196 -3.5397 63.546000 Cu 0.131486 0.246281 0.5 680 63.546 7.96252e-05 -3.53971 63.546000 Cu 0.180707 0.236088 1.93319e-16 678 63.546 2.27315e-05 -3.53971 63.546000 Cu 0.229948 0.225894 0.5 684 63.546 0.000220149 -3.5397 63.546000 Cu 0.221673 0.248407 0.5 723 63.546 6.92075e-05 -3.53973 63.546000 Cu 0.270919 0.238191 1 725 63.546 8.98433e-05 -3.53973 63.546000 Cu 0.361016 0.240243 1.22651e-16 726 63.546 7.34504e-05 -3.54017 63.546000 Cu 0.320119 0.227954 0.5 727 63.546 0.000191816 -3.53972 63.546000 Cu 0.459389 0.219682 1 730 63.546 0.000168945 -3.54022 63.546000 Cu 0.410231 0.229962 0.5 732 63.546 6.90964e-05 -3.54012 63.546000 Cu 0.451159 0.242238 0 773 63.546 1.48532e-05 -3.5401 63.546000 Cu 0.500377 0.231946 0.5 775 63.546 0.000107494 -3.54011 63.546000 Cu 0.541296 0.244223 1 774 63.546 9.72411e-05 -3.54003 63.546000 Cu 0.549578 0.221687 1 777 63.546 0.000318604 -3.54016 63.546000 Cu 0.590548 0.233976 0.5 780 63.546 0.000200796 -3.53978 63.546000 Cu 0.639769 0.223777 6.01276e-17 778 63.546 0.000253196 -3.5397 63.546000 Cu 0.631486 0.246281 2.45062e-16 821 63.546 7.96252e-05 -3.53971 63.546000 Cu 0.721673 0.248407 0 822 63.546 6.92075e-05 -3.53973 63.546000 Cu 0.680707 0.236088 0.5 823 63.546 2.27315e-05 -3.53971 63.546000 Cu 0.729948 0.225894 1.56907e-16 825 63.546 0.000220149 -3.5397 63.546000 Cu 0.820119 0.227954 1 584 63.546 0.000191816 -3.53972 63.546000 Cu 0.861016 0.240243 0.5 627 63.546 7.34504e-05 -3.54017 63.546000 Cu 0.770919 0.238191 0.5 827 63.546 8.98433e-05 -3.53973 63.546000 Cu 0.910231 0.229962 1.56907e-17 629 63.546 6.90964e-05 -3.54012 63.546000 Cu 0.959389 0.219682 0.5 631 63.546 0.000168945 -3.54022 63.546000 Cu 0.951159 0.242238 0.5 632 63.546 1.48532e-05 -3.5401 63.546000 Cu 0.0822179 0.256496 1 674 63.546 0.000215097 -3.54011 63.546000 Cu 0.0329702 0.266765 0.5 676 63.546 8.95882e-05 -3.54023 63.546000 Cu 0.0739407 0.279031 2.66981e-16 717 63.546 0.000160504 -3.53994 63.546000 Cu 0.123168 0.268787 0.5 719 63.546 0.000181737 -3.53978 63.546000 Cu 0.164177 0.281072 1.80023e-16 718 63.546 0.000251032 -3.53948 63.546000 Cu 0.172409 0.258591 4.82698e-17 721 63.546 2.21101e-05 -3.53943 63.546000 Cu 0.213376 0.2709 0.5 724 63.546 5.36061e-05 -3.53933 63.546000 Cu 0.262591 0.260706 2.45182e-16 722 63.546 6.86511e-05 -3.53996 63.546000 Cu 0.311829 0.250493 0.5 728 63.546 6.86736e-05 -3.54005 63.546000 Cu 0.303566 0.273043 0.5 767 63.546 0.000214647 -3.54018 63.546000 Cu 0.352744 0.262802 4.80302e-17 769 63.546 0.000169432 -3.54016 63.546000 Cu 0.44284 0.264793 0 770 63.546 3.98329e-05 -3.54003 63.546000 Cu 0.40194 0.252534 0.5 771 63.546 0.000120246 -3.54011 63.546000 Cu 0.393657 0.275099 0.5 772 63.546 0.000200027 -3.54008 63.546000 Cu 0.492048 0.2545 0.5 776 63.546 3.05253e-05 -3.53995 63.546000 Cu 0.483786 0.277067 0.5 815 63.546 2.89586e-05 -3.54032 63.546000 Cu 0.53297 0.266765 1.22411e-16 817 63.546 8.95882e-05 -3.54023 63.546000 Cu 0.623168 0.268787 1.10194e-16 818 63.546 0.000181737 -3.53978 63.546000 Cu 0.582218 0.256496 0.5 819 63.546 0.000215097 -3.54011 63.546000 Cu 0.573941 0.279031 0.5 820 63.546 0.000160504 -3.53994 63.546000 Cu 0.672409 0.258591 0.5 824 63.546 2.21101e-05 -3.53943 63.546000 Cu 0.664177 0.281072 0.5 863 63.546 0.000251032 -3.53948 63.546000 Cu 0.713376 0.2709 1 865 63.546 5.36061e-05 -3.53933 63.546000 Cu 0.762591 0.260706 0.5 867 63.546 6.86511e-05 -3.53996 63.546000 Cu 0.811829 0.250493 0 625 63.546 6.86736e-05 -3.54005 63.546000 Cu 0.852744 0.262802 0.5 628 63.546 0.000169432 -3.54016 63.546000 Cu 0.803566 0.273043 1 866 63.546 0.000214647 -3.54018 63.546000 Cu 0.90194 0.252534 2.90217e-16 626 63.546 0.000120246 -3.54011 63.546000 Cu 0.893657 0.275099 2.16316e-16 669 63.546 0.000200027 -3.54008 63.546000 Cu 0.983786 0.277067 0 670 63.546 2.89586e-05 -3.54032 63.546000 Cu 0.94284 0.264793 0.5 671 63.546 3.98329e-05 -3.54003 63.546000 Cu 0.992048 0.2545 1.63255e-16 673 63.546 3.05253e-05 -3.53995 63.546000 Cu 0.0658077 0.301564 0 714 63.546 0.000271751 -3.53978 63.546000 Cu 0.0247802 0.289321 0.5 715 63.546 6.26755e-05 -3.53998 63.546000 Cu 0.0167097 0.311891 0.5 716 63.546 0.000239956 -3.54036 63.546000 Cu 0.114944 0.291289 0.5 720 63.546 0.000390287 -3.5397 63.546000 Cu 0.156045 0.303566 9.96537e-17 761 63.546 0.000594682 -3.53957 63.546000 Cu 0.246323 0.305736 6.5278e-17 762 63.546 0.000159662 -3.53931 63.546000 Cu 0.205237 0.293385 0.5 763 63.546 0.000213747 -3.53966 63.546000 Cu 0.254385 0.283225 1.41096e-16 765 63.546 6.10986e-05 -3.53972 63.546000 Cu 0.344531 0.28536 0 766 63.546 0.000247457 -3.54008 63.546000 Cu 0.295415 0.295579 0.5 768 63.546 0.000245265 -3.53982 63.546000 Cu 0.336444 0.307936 1 809 63.546 0.000681469 -3.54019 63.546000 Cu 0.385537 0.297683 0.5 811 63.546 0.000367452 -3.54043 63.546000 Cu 0.426562 0.309982 1 810 63.546 0.000415006 -3.5404 63.546000 Cu 0.434631 0.287377 2.71053e-16 813 63.546 9.76996e-05 -3.54032 63.546000 Cu 0.475629 0.299649 0.5 816 63.546 0.000139393 -3.54027 63.546000 Cu 0.52478 0.289321 1.22411e-16 814 63.546 6.26755e-05 -3.53998 63.546000 Cu 0.51671 0.311891 1.22651e-16 857 63.546 0.000239956 -3.54036 63.546000 Cu 0.565808 0.301564 0.5 859 63.546 0.000271751 -3.53978 63.546000 Cu 0.614944 0.291289 0 861 63.546 0.000390287 -3.5397 63.546000 Cu 0.705237 0.293385 1 862 63.546 0.000213747 -3.53966 63.546000 Cu 0.656045 0.303566 0.5 864 63.546 0.000594682 -3.53957 63.546000 Cu 0.746323 0.305736 0.5 905 63.546 0.000159662 -3.53931 63.546000 Cu 0.754385 0.283225 0.5 868 63.546 6.10986e-05 -3.53972 63.546000 Cu 0.844531 0.28536 0.5 667 63.546 0.000247457 -3.54008 63.546000 Cu 0.836444 0.307936 0.5 668 63.546 0.000681469 -3.54019 63.546000 Cu 0.795415 0.295579 4.1203e-17 907 63.546 0.000245265 -3.53982 63.546000 Cu 0.885537 0.297683 1 666 63.546 0.000367452 -3.54043 63.546000 Cu 0.934631 0.287377 0.5 672 63.546 9.76996e-05 -3.54032 63.546000 Cu 0.926562 0.309982 0.5 711 63.546 0.000415006 -3.5404 63.546000 Cu 0.975629 0.299649 2.39552e-19 713 63.546 0.000139393 -3.54027 63.546000 Cu 0.0579584 0.324111 1 757 63.546 0.000312627 -3.54016 63.546000 Cu 0.10697 0.313796 0.5 759 63.546 0.000699627 -3.53962 63.546000 Cu 0.0993583 0.3363 0.5 760 63.546 0.000879288 -3.53959 63.546000 Cu 0.00902201 0.334478 0.5 755 63.546 0.000268093 -3.5401 63.546000 Cu 0.148292 0.326045 1.22531e-16 758 63.546 0.0011534 -3.5391 63.546000 Cu 0.19727 0.315867 0.5 764 63.546 0.000696258 -3.53915 63.546000 Cu 0.189738 0.338337 0.5 803 63.546 0.00147289 -3.53869 63.546000 Cu 0.238593 0.328233 0 805 63.546 0.000418442 -3.53925 63.546000 Cu 0.328766 0.330525 1.22651e-16 806 63.546 0.000929411 -3.54027 63.546000 Cu 0.287487 0.318105 0.5 807 63.546 0.00033814 -3.53971 63.546000 Cu 0.279986 0.340662 0.5 808 63.546 0.00033896 -3.53964 63.546000 Cu 0.37007 0.342915 0.5 851 63.546 0.0013823 -3.54053 63.546000 Cu 0.377613 0.320289 0.5 812 63.546 0.000905596 -3.54041 63.546000 Cu 0.418834 0.332609 2.39552e-19 853 63.546 0.0008717 -3.54058 63.546000 Cu 0.467715 0.322255 0.5 855 63.546 0.000433388 -3.54055 63.546000 Cu 0.509022 0.334478 3.18604e-17 854 63.546 0.000268093 -3.5401 63.546000 Cu 0.60697 0.313796 1.2289e-16 858 63.546 0.000699627 -3.53962 63.546000 Cu 0.557958 0.324111 0.5 860 63.546 0.000312627 -3.54016 63.546000 Cu 0.599358 0.3363 2.45301e-16 899 63.546 0.000879288 -3.53959 63.546000 Cu 0.689738 0.338337 2.39552e-19 900 63.546 0.00147289 -3.53869 63.546000 Cu 0.648292 0.326045 0.5 901 63.546 0.0011534 -3.5391 63.546000 Cu 0.69727 0.315867 4.79104e-19 903 63.546 0.000696258 -3.53915 63.546000 Cu 0.738593 0.328233 0.5 906 63.546 0.000418442 -3.53925 63.546000 Cu 0.87007 0.342915 1.54511e-17 706 63.546 0.0013823 -3.54053 63.546000 Cu 0.828766 0.330525 0.5 707 63.546 0.000929411 -3.54027 63.546000 Cu 0.787487 0.318105 1 904 63.546 0.00033814 -3.53971 63.546000 Cu 0.779986 0.340662 2.39552e-19 937 63.546 0.00033896 -3.53964 63.546000 Cu 0.877613 0.320289 1 709 63.546 0.000905596 -3.54041 63.546000 Cu 0.967715 0.322255 1.19776e-19 710 63.546 0.000433388 -3.54055 63.546000 Cu 0.918834 0.332609 0.5 712 63.546 0.0008717 -3.54058 63.546000 Cu 0.0504324 0.346641 1 754 63.546 0.000377054 -3.53968 63.546000 Cu 0.0431077 0.369162 1.20974e-17 797 63.546 0.000586136 -3.53982 63.546000 Cu 0.0919887 0.358781 0.5 799 63.546 0.00126196 -3.53962 63.546000 Cu 0.00161368 0.357052 0.5 756 63.546 0.000264052 -3.5399 63.546000 Cu 0.13364 0.370928 1.22411e-16 798 63.546 0.00398584 -3.53826 63.546000 Cu 0.140894 0.3485 0 801 63.546 0.00227347 -3.53921 63.546000 Cu 0.231276 0.350724 3.67593e-16 802 63.546 0.000838016 -3.53862 63.546000 Cu 0.182504 0.360784 0.5 804 63.546 0.00312352 -3.5381 63.546000 Cu 0.224063 0.373189 2.44942e-16 845 63.546 0.0026382 -3.53759 63.546000 Cu 0.272741 0.363221 0.5 847 63.546 0.000605624 -3.53907 63.546000 Cu 0.321395 0.353135 0 849 63.546 0.00150421 -3.54014 63.546000 Cu 0.362721 0.365588 0.5 852 63.546 0.00303699 -3.54089 63.546000 Cu 0.411423 0.355268 0 850 63.546 0.00202482 -3.54088 63.546000 Cu 0.460206 0.344876 0.5 856 63.546 0.000736141 -3.54046 63.546000 Cu 0.452799 0.367517 0.5 893 63.546 0.00149025 -3.54057 63.546000 Cu 0.501614 0.357052 1 895 63.546 0.000264052 -3.5399 63.546000 Cu 0.591989 0.358781 1.19776e-19 896 63.546 0.00126196 -3.53962 63.546000 Cu 0.550432 0.346641 0.5 897 63.546 0.000377054 -3.53968 63.546000 Cu 0.543108 0.369162 0.5 898 63.546 0.000586136 -3.53982 63.546000 Cu 0.640894 0.3485 0.5 902 63.546 0.00227347 -3.53921 63.546000 Cu 0.63364 0.370928 0.5 931 63.546 0.00398584 -3.53826 63.546000 Cu 0.682504 0.360784 1.19776e-19 933 63.546 0.00312352 -3.5381 63.546000 Cu 0.731276 0.350724 0.5 935 63.546 0.000838016 -3.53862 63.546000 Cu 0.724063 0.373189 0.5 936 63.546 0.0026382 -3.53759 63.546000 Cu 0.821395 0.353135 0.5 708 63.546 0.00150421 -3.54014 63.546000 Cu 0.862721 0.365588 7.50996e-17 749 63.546 0.00303699 -3.54089 63.546000 Cu 0.772741 0.363221 0 934 63.546 0.000605624 -3.53907 63.546000 Cu 0.952799 0.367517 1 750 63.546 0.00149025 -3.54057 63.546000 Cu 0.911423 0.355268 0.5 751 63.546 0.00202482 -3.54088 63.546000 Cu 0.960206 0.344876 2.247e-16 753 63.546 0.000736141 -3.54046 63.546000 Cu 0.0356064 0.391678 2.45301e-16 794 63.546 0.00095924 -3.53955 63.546000 Cu 0.0846646 0.381222 0.5 800 63.546 0.00243766 -3.53898 63.546000 Cu 0.0770275 0.403612 0.5 839 63.546 0.00414901 -3.53831 63.546000 Cu 0.126235 0.393282 0 841 63.546 0.00849943 -3.53727 63.546000 Cu 0.216773 0.395618 1.01211e-16 842 63.546 0.00717288 -3.536 63.546000 Cu 0.175229 0.383159 0.5 843 63.546 0.00836211 -3.53672 63.546000 Cu 0.167787 0.405451 0.5 844 63.546 0.0207611 -3.53428 63.546000 Cu 0.265494 0.385792 0.5 848 63.546 0.00170436 -3.53875 63.546000 Cu 0.31407 0.375783 1.22411e-16 846 63.546 0.00313875 -3.54031 63.546000 Cu 0.306598 0.3985 1.19776e-19 887 63.546 0.0078552 -3.54052 63.546000 Cu 0.355275 0.388324 0.5 889 63.546 0.00712662 -3.54119 63.546000 Cu 0.396345 0.400727 7.12668e-17 888 63.546 0.00836379 -3.54066 63.546000 Cu 0.404022 0.377969 0 891 63.546 0.00433861 -3.54098 63.546000 Cu 0.494192 0.379645 2.7788e-17 892 63.546 0.000617893 -3.54035 63.546000 Cu 0.445234 0.390195 0.5 894 63.546 0.00295126 -3.5403 63.546000 Cu 0.486471 0.402247 1.25166e-16 925 63.546 0.00130383 -3.53958 63.546000 Cu 0.577028 0.403612 6.58768e-18 926 63.546 0.00414901 -3.53831 63.546000 Cu 0.535606 0.391678 0.5 927 63.546 0.00095924 -3.53955 63.546000 Cu 0.584665 0.381222 2.39552e-19 929 63.546 0.00243766 -3.53898 63.546000 Cu 0.626235 0.393282 0.5 932 63.546 0.00849943 -3.53727 63.546000 Cu 0.675229 0.383159 2.45541e-16 930 63.546 0.00836211 -3.53672 63.546000 Cu 0.667787 0.405451 0 955 63.546 0.0207611 -3.53428 63.546000 Cu 0.716773 0.395618 0.5 957 63.546 0.00717288 -3.536 63.546000 Cu 0.765494 0.385792 0 959 63.546 0.00170436 -3.53875 63.546000 Cu 0.855275 0.388324 2.45062e-16 747 63.546 0.00712662 -3.54119 63.546000 Cu 0.81407 0.375783 0.5 748 63.546 0.00313875 -3.54031 63.546000 Cu 0.806598 0.3985 0.5 960 63.546 0.0078552 -3.54052 63.546000 Cu 0.904022 0.377969 0.5 752 63.546 0.00433861 -3.54098 63.546000 Cu 0.896345 0.400727 0.5 791 63.546 0.00836379 -3.54066 63.546000 Cu 0.945234 0.390195 1.19776e-19 793 63.546 0.00295126 -3.5403 63.546000 Cu 0.994192 0.379645 0.5 795 63.546 0.000617893 -3.54035 63.546000 Cu 0.986471 0.402247 0.5 796 63.546 0.00130383 -3.53958 63.546000 Cu 0.0195454 0.436615 2.34761e-17 834 63.546 0.00202468 -3.53801 63.546000 Cu 0.0277325 0.414151 1 837 63.546 0.0014553 -3.53883 63.546000 Cu 0.118528 0.415542 1 838 63.546 0.0164141 -3.53589 63.546000 Cu 0.0690663 0.425946 0.5 840 63.546 0.00587166 -3.53775 63.546000 Cu 0.160079 0.427584 0.5 881 63.546 0.0560506 -3.52912 63.546000 Cu 0.209288 0.417952 1.35467e-16 883 63.546 0.0238918 -3.53102 63.546000 Cu 0.258028 0.408395 0.5 885 63.546 0.00494195 -3.53746 63.546000 Cu 0.250396 0.431066 0.5 886 63.546 0.0185519 -3.53403 63.546000 Cu 0.298825 0.421329 3.59328e-19 884 63.546 0.022481 -3.54068 63.546000 Cu 0.347488 0.411154 0.5 890 63.546 0.0167008 -3.54128 63.546000 Cu 0.339396 0.434147 0.5 919 63.546 0.040101 -3.54054 63.546000 Cu 0.388293 0.423573 2.45421e-16 921 63.546 0.0153587 -3.53968 63.546000 Cu 0.478383 0.424854 1 922 63.546 0.00206984 -3.53846 63.546000 Cu 0.437325 0.412902 0.5 923 63.546 0.00485376 -3.53941 63.546000 Cu 0.429086 0.435669 0.5 924 63.546 0.00702297 -3.53743 63.546000 Cu 0.527733 0.414151 0.5 928 63.546 0.0014553 -3.53883 63.546000 Cu 0.519545 0.436615 0.5 949 63.546 0.00202468 -3.53801 63.546000 Cu 0.569066 0.425946 2.14878e-16 951 63.546 0.00587166 -3.53775 63.546000 Cu 0.618528 0.415542 0.5 953 63.546 0.0164141 -3.53589 63.546000 Cu 0.660079 0.427584 0 952 63.546 0.0560506 -3.52912 63.546000 Cu 0.709288 0.417952 0.5 958 63.546 0.0238918 -3.53102 63.546000 Cu 0.758028 0.408395 3.67712e-16 956 63.546 0.00494195 -3.53746 63.546000 Cu 0.750396 0.431066 4.90363e-16 972 63.546 0.0185519 -3.53403 63.546000 Cu 0.839396 0.434147 1.16782e-16 788 63.546 0.040101 -3.54054 63.546000 Cu 0.847488 0.411154 0 789 63.546 0.0167008 -3.54128 63.546000 Cu 0.798825 0.421329 0.5 973 63.546 0.022481 -3.54068 63.546000 Cu 0.888293 0.423573 0.5 792 63.546 0.0153587 -3.53968 63.546000 Cu 0.937325 0.412902 1 790 63.546 0.00485376 -3.53941 63.546000 Cu 0.929086 0.435669 2.6734e-16 833 63.546 0.00702297 -3.53743 63.546000 Cu 0.978383 0.424854 0.5 835 63.546 0.00206984 -3.53846 63.546000 Cu 0.102245 0.459733 6.00078e-17 876 63.546 0.03261 -3.53583 63.546000 Cu 0.0608491 0.448232 0.5 877 63.546 0.00608404 -3.53747 63.546000 Cu 0.110536 0.437684 1 879 63.546 0.0287288 -3.53477 63.546000 Cu 0.0111371 0.459075 1 875 63.546 0.00424611 -3.536 63.546000 Cu 0.20171 0.440104 1 880 63.546 0.0992993 -3.51477 63.546000 Cu 0.152206 0.449485 0.5 882 63.546 0.159151 -3.52073 63.546000 Cu 0.193996 0.461794 1 913 63.546 0.578529 -3.4591 63.546000 Cu 0.242894 0.453949 0.5 915 63.546 0.109653 -3.5161 63.546000 Cu 0.28203 0.467833 0 914 63.546 0.299563 -3.52301 63.546000 Cu 0.290693 0.44437 2.39552e-19 917 63.546 0.0719495 -3.53951 63.546000 Cu 0.330958 0.457406 0.5 920 63.546 0.0950136 -3.53408 63.546000 Cu 0.379871 0.446547 5.86903e-17 918 63.546 0.0259095 -3.53661 63.546000 Cu 0.42063 0.458507 0.5 945 63.546 0.00861034 -3.53273 63.546000 Cu 0.470039 0.447482 1.22411e-16 947 63.546 0.00270633 -3.53651 63.546000 Cu 0.511137 0.459075 0.5 950 63.546 0.00424611 -3.536 63.546000 Cu 0.560849 0.448232 7.76149e-17 948 63.546 0.00608404 -3.53747 63.546000 Cu 0.610536 0.437684 0.5 954 63.546 0.0287288 -3.53477 63.546000 Cu 0.602245 0.459733 0.5 966 63.546 0.03261 -3.53583 63.546000 Cu 0.652206 0.449485 1 968 63.546 0.159151 -3.52073 63.546000 Cu 0.742894 0.453949 1 969 63.546 0.109653 -3.5161 63.546000 Cu 0.70171 0.440104 0.5 970 63.546 0.0992993 -3.51477 63.546000 Cu 0.693996 0.461794 0.5 971 63.546 0.578529 -3.4591 63.546000 Cu 0.78203 0.467833 0.5 15 63.546 0.299563 -3.52301 63.546000 Cu 0.830958 0.457406 1 829 63.546 0.0950136 -3.53408 63.546000 Cu 0.790693 0.44437 0.5 974 63.546 0.0719495 -3.53951 63.546000 Cu 0.879871 0.446547 0.5 831 63.546 0.0259095 -3.53661 63.546000 Cu 0.92063 0.458507 1.50319e-16 830 63.546 0.00861034 -3.53273 63.546000 Cu 0.970039 0.447482 0.5 836 63.546 0.00270633 -3.53651 63.546000 Cu 0.0525798 0.470476 0.5 878 63.546 0.0196581 -3.53627 63.546000 Cu 0.0482941 0.492825 0.5 908 63.546 0.0676586 -3.54229 63.546000 Cu 0.094556 0.48176 4.07239e-18 909 63.546 0.0835202 -3.53649 63.546000 Cu 0.00400253 0.48156 1 872 63.546 0.0523674 -3.53847 63.546000 Cu 0.143824 0.471107 0.5 911 63.546 0.486296 -3.50282 63.546000 Cu 0.139311 0.492816 0.5 912 63.546 3.09866 -3.47002 63.546000 Cu 0.184417 0.482629 3.28426e-16 910 63.546 7.15984 -3.24736 63.546000 Cu 0.235706 0.47751 0.5 916 63.546 5.38314 -3.41768 63.546000 Cu 0.371361 0.469669 1 943 63.546 0.0423311 -3.52592 63.546000 Cu 0.270708 0.492798 0 939 63.546 4.28742 -3.54296 63.546000 Cu 0.365381 0.492787 1.08517e-16 940 63.546 0.191642 -3.52372 63.546000 Cu 0.322506 0.481072 0.5 941 63.546 0.285619 -3.50211 63.546000 Cu 0.461808 0.470134 1.22651e-16 944 63.546 0.0152877 -3.53399 63.546000 Cu 0.41315 0.481392 0.5 946 63.546 0.0552559 -3.53334 63.546000 Cu 0.457228 0.49281 1.10434e-16 961 63.546 0.0858753 -3.54113 63.546000 Cu 0.504003 0.48156 0.5 963 63.546 0.0523674 -3.53847 63.546000 Cu 0.548294 0.492825 1.19776e-19 962 63.546 0.0676586 -3.54229 63.546000 Cu 0.55258 0.470476 1 964 63.546 0.0196581 -3.53627 63.546000 Cu 0.594556 0.48176 0.5 967 63.546 0.0835202 -3.53649 63.546000 Cu 0.639311 0.492816 1 490 63.546 3.09866 -3.47002 63.546000 Cu 0.643824 0.471107 7.45007e-17 965 63.546 0.486296 -3.50282 63.546000 Cu 0.735706 0.47751 1 60 63.546 5.38314 -3.41768 63.546000 Cu 0.684417 0.482629 0.5 94 63.546 7.15984 -3.24736 63.546000 Cu 0.871361 0.469669 0.5 832 63.546 0.0423311 -3.52592 63.546000 Cu 0.770708 0.492798 0.5 13 63.546 4.28742 -3.54296 63.546000 Cu 0.822506 0.481072 1 828 63.546 0.285619 -3.50211 63.546000 Cu 0.865381 0.492787 0.5 870 63.546 0.191642 -3.52372 63.546000 Cu 0.91315 0.481392 1.22052e-16 871 63.546 0.0552559 -3.53334 63.546000 Cu 0.961808 0.470134 0.5 873 63.546 0.0152877 -3.53399 63.546000 Cu 0.957228 0.49281 0.5 874 63.546 0.0858753 -3.54113 63.546000 Cu 0.0943888 0.503871 1 1 63.546 0.0885495 -3.53653 63.546000 Cu 0.00384878 0.504069 1 4 63.546 0.0570342 -3.5386 63.546000 Cu 0.010977 0.526568 9.12694e-17 5 63.546 0.00569671 -3.53551 63.546000 Cu 0.0523375 0.515167 0.5 6 63.546 0.024286 -3.53643 63.546000 Cu 0.102082 0.5259 1 8 63.546 0.0331963 -3.53563 63.546000 Cu 0.184202 0.503016 1.45648e-16 92 63.546 7.15197 -3.24539 63.546000 Cu 0.235505 0.508086 0.5 938 63.546 5.37735 -3.41728 63.546000 Cu 0.143553 0.514528 0.5 2 63.546 0.49519 -3.50252 63.546000 Cu 0.193838 0.523839 4.04843e-17 93 63.546 0.594369 -3.45897 63.546000 Cu 0.322316 0.504505 0.5 942 63.546 0.294522 -3.50243 63.546000 Cu 0.281842 0.517746 3.16209e-16 95 63.546 0.304547 -3.52288 63.546000 Cu 0.330822 0.528173 0.5 97 63.546 0.0993191 -3.53394 63.546000 Cu 0.371151 0.515901 1.97391e-16 58 63.546 0.0478453 -3.52576 63.546000 Cu 0.412972 0.504206 0.5 59 63.546 0.0614422 -3.53342 63.546000 Cu 0.461607 0.515488 1.27082e-16 61 63.546 0.0181731 -3.53398 63.546000 Cu 0.420486 0.527098 0.5 64 63.546 0.00992749 -3.53207 63.546000 Cu 0.552337 0.515167 7.72556e-17 32 63.546 0.024286 -3.53643 63.546000 Cu 0.594389 0.503871 0.5 33 63.546 0.0885495 -3.53653 63.546000 Cu 0.503849 0.504069 0.5 34 63.546 0.0570342 -3.5386 63.546000 Cu 0.602082 0.5259 0.5 38 63.546 0.0331963 -3.53563 63.546000 Cu 0.510977 0.526568 0.5 63 63.546 0.00569671 -3.53551 63.546000 Cu 0.684202 0.503016 0.5 14 63.546 7.15197 -3.24539 63.546000 Cu 0.735505 0.508086 0 469 63.546 5.37735 -3.41728 63.546000 Cu 0.643553 0.514528 2.81474e-17 35 63.546 0.49519 -3.50252 63.546000 Cu 0.693838 0.523839 0.5 37 63.546 0.594369 -3.45897 63.546000 Cu 0.822316 0.504505 1 869 63.546 0.294522 -3.50243 63.546000 Cu 0.830822 0.528173 4.71918e-17 16 63.546 0.0993191 -3.53394 63.546000 Cu 0.781842 0.517746 0.5 18 63.546 0.304547 -3.52288 63.546000 Cu 0.871151 0.515901 0.5 17 63.546 0.0478453 -3.52576 63.546000 Cu 0.912972 0.504206 1 3 63.546 0.0614422 -3.53342 63.546000 Cu 0.961607 0.515488 0.5 7 63.546 0.0181731 -3.53398 63.546000 Cu 0.920486 0.527098 1.36784e-16 19 63.546 0.00992749 -3.53207 63.546000 Cu 0.0608286 0.53741 0.5 11 63.546 0.00734917 -3.53717 63.546000 Cu 0.0198116 0.549008 2.01823e-16 23 63.546 0.00244957 -3.53687 63.546000 Cu 0.0696751 0.559676 0.5 25 63.546 0.00654155 -3.53702 63.546000 Cu 0.110803 0.547928 1 9 63.546 0.0275557 -3.53466 63.546000 Cu 0.152198 0.53613 0.5 10 63.546 0.155542 -3.52022 63.546000 Cu 0.160632 0.558022 0.5 12 63.546 0.0549977 -3.52929 63.546000 Cu 0.201877 0.545517 2.04937e-16 134 63.546 0.10223 -3.5155 63.546000 Cu 0.24285 0.531666 0.5 98 63.546 0.108589 -3.51639 63.546000 Cu 0.290804 0.541219 1.01331e-16 96 63.546 0.0740514 -3.53964 63.546000 Cu 0.339758 0.551436 0.5 102 63.546 0.0414655 -3.54043 63.546000 Cu 0.250905 0.554538 0.5 136 63.546 0.019002 -3.53527 63.546000 Cu 0.470054 0.538131 0 62 63.546 0.00317088 -3.53539 63.546000 Cu 0.379934 0.539031 1.22531e-16 99 63.546 0.0284773 -3.53611 63.546000 Cu 0.429416 0.549923 0.5 101 63.546 0.00752971 -3.53683 63.546000 Cu 0.479088 0.56075 3.29983e-16 103 63.546 0.00203239 -3.53762 63.546000 Cu 0.389 0.56201 1.37144e-16 100 63.546 0.0162465 -3.53943 63.546000 Cu 0.560829 0.53741 4.73115e-17 65 63.546 0.00734917 -3.53717 63.546000 Cu 0.569675 0.559676 4.87369e-16 66 63.546 0.00654155 -3.53702 63.546000 Cu 0.519812 0.549008 0.5 68 63.546 0.00244957 -3.53687 63.546000 Cu 0.610803 0.547928 0.5 67 63.546 0.0275557 -3.53466 63.546000 Cu 0.652198 0.53613 2.17394e-16 36 63.546 0.155542 -3.52022 63.546000 Cu 0.701877 0.545517 0.5 42 63.546 0.10223 -3.5155 63.546000 Cu 0.660632 0.558022 9.47429e-17 69 63.546 0.0549977 -3.52929 63.546000 Cu 0.74285 0.531666 3.60526e-17 39 63.546 0.108589 -3.51639 63.546000 Cu 0.750905 0.554538 1.67327e-16 40 63.546 0.019002 -3.53527 63.546000 Cu 0.790804 0.541219 0.5 41 63.546 0.0740514 -3.53964 63.546000 Cu 0.839758 0.551436 1.22531e-16 43 63.546 0.0414655 -3.54043 63.546000 Cu 0.929416 0.549923 1.22531e-16 20 63.546 0.00752971 -3.53683 63.546000 Cu 0.970054 0.538131 0.5 21 63.546 0.00317088 -3.53539 63.546000 Cu 0.879934 0.539031 0.5 22 63.546 0.0284773 -3.53611 63.546000 Cu 0.979088 0.56075 0.5 26 63.546 0.00203239 -3.53762 63.546000 Cu 0.889 0.56201 0.5 45 63.546 0.0162465 -3.53943 63.546000 Cu 0.0287998 0.571453 1 24 63.546 0.00165553 -3.53791 63.546000 Cu 0.078608 0.581978 0.5 30 63.546 0.00430924 -3.53784 63.546000 Cu 0.119525 0.570065 1 27 63.546 0.0170131 -3.53565 63.546000 Cu 0.128407 0.592291 0 28 63.546 0.00847432 -3.5371 63.546000 Cu 0.169301 0.580129 0.5 29 63.546 0.0198589 -3.53432 63.546000 Cu 0.210209 0.567641 1.36305e-16 135 63.546 0.023478 -3.532 63.546000 Cu 0.218813 0.58995 1.22411e-16 174 63.546 0.006951 -3.53663 63.546000 Cu 0.29968 0.564258 3.5837e-16 137 63.546 0.0227099 -3.54098 63.546000 Cu 0.308511 0.58707 2.39552e-19 138 63.546 0.00846042 -3.54104 63.546000 Cu 0.348719 0.574424 0.5 139 63.546 0.0175862 -3.5411 63.546000 Cu 0.259403 0.577197 0.5 140 63.546 0.00458791 -3.53855 63.546000 Cu 0.438471 0.572687 0.5 106 63.546 0.00509154 -3.53903 63.546000 Cu 0.398074 0.584858 5.35399e-17 141 63.546 0.00818317 -3.54036 63.546000 Cu 0.488115 0.583345 2.45182e-16 104 63.546 0.00138013 -3.53864 63.546000 Cu 0.5288 0.571453 0.5 105 63.546 0.00165553 -3.53791 63.546000 Cu 0.578608 0.581978 1.25885e-16 107 63.546 0.00430924 -3.53784 63.546000 Cu 0.619525 0.570065 0.5 72 63.546 0.0170131 -3.53565 63.546000 Cu 0.669301 0.580129 1 70 63.546 0.0198589 -3.53432 63.546000 Cu 0.710209 0.567641 0.5 71 63.546 0.023478 -3.532 63.546000 Cu 0.718813 0.58995 0.5 76 63.546 0.006951 -3.53663 63.546000 Cu 0.628407 0.592291 0.5 109 63.546 0.00847432 -3.5371 63.546000 Cu 0.848719 0.574424 1 44 63.546 0.0175862 -3.5411 63.546000 Cu 0.79968 0.564258 0.5 46 63.546 0.0227099 -3.54098 63.546000 Cu 0.759403 0.577197 6.27627e-17 73 63.546 0.00458791 -3.53855 63.546000 Cu 0.808511 0.58707 0.5 75 63.546 0.00846042 -3.54104 63.546000 Cu 0.988115 0.583345 0.5 49 63.546 0.00138013 -3.53864 63.546000 Cu 0.938471 0.572687 1 47 63.546 0.00509154 -3.53903 63.546000 Cu 0.898074 0.584858 0.5 50 63.546 0.00818317 -3.54036 63.546000 Cu 0.0379017 0.593905 1 51 63.546 0.000866346 -3.53855 63.546000 Cu 0.0471343 0.616375 0 52 63.546 0.000558777 -3.53885 63.546000 Cu 0.0877184 0.60435 0.5 53 63.546 0.00303531 -3.53819 63.546000 Cu 0.178137 0.602384 0.5 31 63.546 0.00706982 -3.53699 63.546000 Cu 0.137475 0.614614 1.24328e-16 55 63.546 0.00395365 -3.53787 63.546000 Cu 0.227733 0.612354 4.21612e-17 175 63.546 0.00240877 -3.53859 63.546000 Cu 0.187223 0.624738 0.5 214 63.546 0.00271197 -3.53833 63.546000 Cu 0.357811 0.59725 0.5 144 63.546 0.00691288 -3.54124 63.546000 Cu 0.268209 0.599773 0.5 176 63.546 0.00166021 -3.53996 63.546000 Cu 0.317586 0.609782 1 177 63.546 0.00275282 -3.54088 63.546000 Cu 0.277302 0.622329 0.5 180 63.546 0.00061242 -3.53995 63.546000 Cu 0.36706 0.619957 0.5 179 63.546 0.00324054 -3.54064 63.546000 Cu 0.40733 0.607594 1 142 63.546 0.00414263 -3.5407 63.546000 Cu 0.447668 0.59538 0.5 143 63.546 0.00301889 -3.53954 63.546000 Cu 0.456991 0.618029 0.5 148 63.546 0.00138633 -3.54014 63.546000 Cu 0.497382 0.605906 2.39552e-19 145 63.546 0.000783426 -3.53916 63.546000 Cu 0.587718 0.60435 1.0708e-16 108 63.546 0.00303531 -3.53819 63.546000 Cu 0.537902 0.593905 0.5 110 63.546 0.000866346 -3.53855 63.546000 Cu 0.547134 0.616375 0.5 147 63.546 0.000558777 -3.53885 63.546000 Cu 0.678137 0.602384 1.22651e-16 111 63.546 0.00706982 -3.53699 63.546000 Cu 0.687223 0.624738 8.27653e-17 112 63.546 0.00271197 -3.53833 63.546000 Cu 0.727733 0.612354 0.5 113 63.546 0.00240877 -3.53859 63.546000 Cu 0.637475 0.614614 0.5 114 63.546 0.00395365 -3.53787 63.546000 Cu 0.768209 0.599773 1 74 63.546 0.00166021 -3.53996 63.546000 Cu 0.857811 0.59725 1 77 63.546 0.00691288 -3.54124 63.546000 Cu 0.817586 0.609782 0.5 80 63.546 0.00275282 -3.54088 63.546000 Cu 0.777302 0.622329 7.66567e-18 115 63.546 0.00061242 -3.53995 63.546000 Cu 0.86706 0.619957 2.39552e-19 78 63.546 0.00324054 -3.54064 63.546000 Cu 0.997382 0.605906 0.5 54 63.546 0.000783426 -3.53916 63.546000 Cu 0.947668 0.59538 1 48 63.546 0.00301889 -3.53954 63.546000 Cu 0.90733 0.607594 0.5 79 63.546 0.00414263 -3.5407 63.546000 Cu 0.956991 0.618029 0 81 63.546 0.00138633 -3.54014 63.546000 Cu 0.0968997 0.626751 0.5 57 63.546 0.00161407 -3.53867 63.546000 Cu 0.00664011 0.628473 0.5 83 63.546 0.000401575 -3.53951 63.546000 Cu 0.0562722 0.638866 1 85 63.546 0.000450639 -3.53942 63.546000 Cu 0.105821 0.64919 0.5 87 63.546 0.000939289 -3.53957 63.546000 Cu 0.015565 0.65102 0.5 88 63.546 0.000295902 -3.54011 63.546000 Cu 0.146592 0.636995 1 56 63.546 0.00193 -3.53891 63.546000 Cu 0.196146 0.64715 0.5 218 63.546 0.00137537 -3.539 63.546000 Cu 0.236831 0.634792 6.10858e-17 215 63.546 0.00108291 -3.53919 63.546000 Cu 0.326804 0.632402 1 178 63.546 0.00174697 -3.54049 63.546000 Cu 0.286237 0.644863 0.5 217 63.546 0.000490936 -3.53995 63.546000 Cu 0.335527 0.654998 6.53977e-17 219 63.546 0.000736802 -3.54033 63.546000 Cu 0.416597 0.630271 1 181 63.546 0.00195294 -3.54044 63.546000 Cu 0.425476 0.652903 1.19776e-19 182 63.546 0.000852099 -3.54041 63.546000 Cu 0.466138 0.640643 0.5 183 63.546 0.000959165 -3.53999 63.546000 Cu 0.376185 0.642612 0.5 184 63.546 0.00165634 -3.5405 63.546000 Cu 0.50664 0.628473 1.48043e-16 146 63.546 0.000401575 -3.53951 63.546000 Cu 0.5969 0.626751 9.88152e-17 149 63.546 0.00161407 -3.53867 63.546000 Cu 0.605821 0.64919 3.30582e-17 150 63.546 0.000939289 -3.53957 63.546000 Cu 0.556272 0.638866 0.5 152 63.546 0.000450639 -3.53942 63.546000 Cu 0.515565 0.65102 1 185 63.546 0.000295902 -3.54011 63.546000 Cu 0.646592 0.636995 0.5 151 63.546 0.00193 -3.53891 63.546000 Cu 0.696146 0.64715 1 153 63.546 0.00137537 -3.539 63.546000 Cu 0.736831 0.634792 0.5 118 63.546 0.00108291 -3.53919 63.546000 Cu 0.786237 0.644863 5.05455e-17 116 63.546 0.000490936 -3.53995 63.546000 Cu 0.826804 0.632402 0.5 117 63.546 0.00174697 -3.54049 63.546000 Cu 0.835527 0.654998 0.5 122 63.546 0.000736802 -3.54033 63.546000 Cu 0.966138 0.640643 1.4972e-17 82 63.546 0.000959165 -3.53999 63.546000 Cu 0.916597 0.630271 0.5 84 63.546 0.00195294 -3.54044 63.546000 Cu 0.876185 0.642612 1 119 63.546 0.00165634 -3.5405 63.546000 Cu 0.925476 0.652903 0.5 121 63.546 0.000852099 -3.54041 63.546000 Cu 0.0650127 0.661376 3.23874e-16 86 63.546 0.000382956 -3.53999 63.546000 Cu 0.0241219 0.673574 0.5 125 63.546 0.000107236 -3.54019 63.546000 Cu 0.0733842 0.683893 1.8182e-16 127 63.546 0.000108625 -3.5398 63.546000 Cu 0.114325 0.671663 0.5 91 63.546 0.000397499 -3.53963 63.546000 Cu 0.155309 0.659424 1.02409e-16 89 63.546 0.00100998 -3.53938 63.546000 Cu 0.163579 0.681902 4.494e-16 90 63.546 0.000410572 -3.53958 63.546000 Cu 0.204551 0.669603 0.5 256 63.546 0.00037163 -3.53938 63.546000 Cu 0.245512 0.657259 1.39659e-16 216 63.546 0.000525168 -3.53925 63.546000 Cu 0.343876 0.677576 1.99906e-16 220 63.546 0.000241636 -3.54027 63.546000 Cu 0.294693 0.667396 0.5 222 63.546 0.000128878 -3.53985 63.546000 Cu 0.253778 0.679759 1.29598e-16 257 63.546 7.27561e-05 -3.53954 63.546000 Cu 0.474787 0.663239 0.5 188 63.546 0.000295006 -3.54054 63.546000 Cu 0.384728 0.665221 0.5 221 63.546 0.000649216 -3.54055 63.546000 Cu 0.433991 0.675505 1 223 63.546 0.000320602 -3.54061 63.546000 Cu 0.48324 0.685818 0.5 225 63.546 7.3664e-05 -3.54017 63.546000 Cu 0.524122 0.673574 1 186 63.546 0.000107236 -3.54019 63.546000 Cu 0.565013 0.661376 0.5 187 63.546 0.000382956 -3.53999 63.546000 Cu 0.573384 0.683893 0.5 192 63.546 0.000108625 -3.5398 63.546000 Cu 0.614325 0.671663 0 189 63.546 0.000397499 -3.53963 63.546000 Cu 0.704551 0.669603 2.39552e-19 154 63.546 0.00037163 -3.53938 63.546000 Cu 0.655309 0.659424 0.5 156 63.546 0.00100998 -3.53938 63.546000 Cu 0.663579 0.681902 0.5 191 63.546 0.000410572 -3.53958 63.546000 Cu 0.745512 0.657259 0.5 155 63.546 0.000525168 -3.53925 63.546000 Cu 0.794693 0.667396 1.59302e-16 157 63.546 0.000128878 -3.53985 63.546000 Cu 0.843876 0.677576 0.5 159 63.546 0.000241636 -3.54027 63.546000 Cu 0.753778 0.679759 0.5 160 63.546 7.27561e-05 -3.53954 63.546000 Cu 0.884728 0.665221 0 120 63.546 0.000649216 -3.54055 63.546000 Cu 0.974787 0.663239 0 123 63.546 0.000295006 -3.54054 63.546000 Cu 0.98324 0.685818 2.39552e-19 124 63.546 7.3664e-05 -3.54017 63.546000 Cu 0.933991 0.675505 0.5 126 63.546 0.000320602 -3.54061 63.546000 Cu 0.0817903 0.70643 2.45421e-16 128 63.546 0.000114287 -3.54018 63.546000 Cu 0.0324942 0.696131 0.5 130 63.546 2.56276e-05 -3.54005 63.546000 Cu 0.122656 0.694174 0.5 129 63.546 0.000313103 -3.5398 63.546000 Cu 0.0409479 0.718702 0.5 167 63.546 0.000128332 -3.54032 63.546000 Cu 0.171948 0.704403 0 131 63.546 0.000257287 -3.53966 63.546000 Cu 0.131088 0.716696 0.5 133 63.546 0.00024054 -3.53965 63.546000 Cu 0.212832 0.692084 0.5 260 63.546 0.000111068 -3.53968 63.546000 Cu 0.221243 0.714586 0.5 296 63.546 2.59719e-05 -3.53967 63.546000 Cu 0.262126 0.702258 1.83018e-16 258 63.546 1.35621e-05 -3.53988 63.546000 Cu 0.303012 0.689914 0.5 259 63.546 0.000142199 -3.53984 63.546000 Cu 0.352281 0.700127 1 261 63.546 0.000136153 -3.54011 63.546000 Cu 0.311418 0.712435 0.5 264 63.546 0.000125899 -3.5398 63.546000 Cu 0.442414 0.698087 1 224 63.546 0.000110156 -3.54003 63.546000 Cu 0.393121 0.687803 0.5 226 63.546 0.000315539 -3.5406 63.546000 Cu 0.401556 0.710362 0.5 263 63.546 0.000177368 -3.53982 63.546000 Cu 0.491641 0.708379 0.5 230 63.546 7.08936e-05 -3.54015 63.546000 Cu 0.532494 0.696131 1 227 63.546 2.56276e-05 -3.54005 63.546000 Cu 0.58179 0.70643 0.5 229 63.546 0.000114287 -3.54018 63.546000 Cu 0.622656 0.694174 2.39552e-19 190 63.546 0.000313103 -3.5398 63.546000 Cu 0.540948 0.718702 1 228 63.546 0.000128332 -3.54032 63.546000 Cu 0.712832 0.692084 2.45421e-16 193 63.546 0.000111068 -3.53968 63.546000 Cu 0.721243 0.714586 1 194 63.546 2.59719e-05 -3.53967 63.546000 Cu 0.671948 0.704403 0.5 196 63.546 0.000257287 -3.53966 63.546000 Cu 0.631088 0.716696 1 231 63.546 0.00024054 -3.53965 63.546000 Cu 0.803012 0.689914 1.2277e-16 158 63.546 0.000142199 -3.53984 63.546000 Cu 0.852281 0.700127 0.5 164 63.546 0.000136153 -3.54011 63.546000 Cu 0.762126 0.702258 0.5 195 63.546 1.35621e-05 -3.53988 63.546000 Cu 0.811418 0.712435 1 197 63.546 0.000125899 -3.5398 63.546000 Cu 0.991641 0.708379 1 165 63.546 7.08936e-05 -3.54015 63.546000 Cu 0.893121 0.687803 7.37821e-17 161 63.546 0.000315539 -3.5406 63.546000 Cu 0.901556 0.710362 3.59328e-19 162 63.546 0.000177368 -3.53982 63.546000 Cu 0.942414 0.698087 0.5 163 63.546 0.000110156 -3.54003 63.546000 Cu 0.000103731 0.730958 1.926e-16 166 63.546 0.000128258 -3.54034 63.546000 Cu 0.0902222 0.728976 6.63559e-17 169 63.546 0.000179462 -3.53982 63.546000 Cu 0.0493052 0.741259 0.5 172 63.546 0.000201827 -3.5401 63.546000 Cu 0.180367 0.726902 1.77628e-16 132 63.546 9.72688e-05 -3.53973 63.546000 Cu 0.139462 0.739221 0.5 171 63.546 0.000235991 -3.54003 63.546000 Cu 0.229635 0.737096 0.5 300 63.546 0.000121556 -3.53989 63.546000 Cu 0.188615 0.749431 3.71306e-17 336 63.546 9.85401e-05 -3.54003 63.546000 Cu 0.360699 0.722652 1 262 63.546 0.000206633 -3.53973 63.546000 Cu 0.270538 0.724761 1 297 63.546 4.91959e-05 -3.5398 63.546000 Cu 0.278788 0.747277 0 298 63.546 0.000116531 -3.53968 63.546000 Cu 0.319795 0.734954 0.5 299 63.546 0.000248321 -3.53985 63.546000 Cu 0.36899 0.745189 2.29012e-16 301 63.546 0.000300846 -3.53999 63.546000 Cu 0.450805 0.720647 1 265 63.546 7.69784e-05 -3.54016 63.546000 Cu 0.459141 0.743218 1 266 63.546 6.48838e-05 -3.5403 63.546000 Cu 0.40994 0.732909 0.5 268 63.546 0.000238614 -3.54005 63.546000 Cu 0.590222 0.728976 0.5 234 63.546 0.000179462 -3.53982 63.546000 Cu 0.500104 0.730958 0.5 267 63.546 0.000128258 -3.54034 63.546000 Cu 0.549305 0.741259 0 269 63.546 0.000201827 -3.5401 63.546000 Cu 0.639462 0.739221 1.22531e-16 232 63.546 0.000235991 -3.54003 63.546000 Cu 0.680367 0.726902 0.5 233 63.546 9.72688e-05 -3.53973 63.546000 Cu 0.729635 0.737096 1 235 63.546 0.000121556 -3.53989 63.546000 Cu 0.688615 0.749431 0.5 238 63.546 9.85401e-05 -3.54003 63.546000 Cu 0.819795 0.734954 0 198 63.546 0.000248321 -3.53985 63.546000 Cu 0.860699 0.722652 0.5 199 63.546 0.000206633 -3.53973 63.546000 Cu 0.770538 0.724761 0.5 200 63.546 4.91959e-05 -3.5398 63.546000 Cu 0.778788 0.747277 0.5 237 63.546 0.000116531 -3.53968 63.546000 Cu 0.86899 0.745189 0.5 204 63.546 0.000300846 -3.53999 63.546000 Cu 0.950805 0.720647 0.5 168 63.546 7.69784e-05 -3.54016 63.546000 Cu 0.90994 0.732909 2.39552e-19 201 63.546 0.000238614 -3.54005 63.546000 Cu 0.959141 0.743218 0.5 203 63.546 6.48838e-05 -3.5403 63.546000 Cu 0.0984253 0.751527 6.94701e-18 170 63.546 0.000156234 -3.54014 63.546000 Cu 0.00826245 0.753531 2.1943e-16 205 63.546 7.0488e-05 -3.54023 63.546000 Cu 0.0164005 0.776108 1.76789e-16 206 63.546 0.000186066 -3.54014 63.546000 Cu 0.0573921 0.763824 0.5 207 63.546 0.000186107 -3.54023 63.546000 Cu 0.106528 0.774083 1.48522e-16 209 63.546 0.000186746 -3.54026 63.546000 Cu 0.147561 0.761758 0.5 173 63.546 0.000101619 -3.54009 63.546000 Cu 0.196686 0.771961 1.02049e-16 337 63.546 9.47562e-05 -3.53961 63.546000 Cu 0.237729 0.759612 0.5 338 63.546 9.75192e-06 -3.53964 63.546000 Cu 0.327919 0.757478 0.5 304 63.546 0.000286095 -3.53984 63.546000 Cu 0.286824 0.769786 9.04309e-17 339 63.546 0.000292579 -3.53959 63.546000 Cu 0.336019 0.779995 0.5 341 63.546 0.000457413 -3.53974 63.546000 Cu 0.377054 0.767731 2.45062e-16 302 63.546 0.000237501 -3.54006 63.546000 Cu 0.41811 0.75547 0.5 303 63.546 9.36901e-05 -3.54013 63.546000 Cu 0.467244 0.765786 0 305 63.546 1.7532e-05 -3.54015 63.546000 Cu 0.426255 0.778033 0.5 308 63.546 5.41221e-05 -3.54015 63.546000 Cu 0.557392 0.763824 0 270 63.546 0.000186107 -3.54023 63.546000 Cu 0.598425 0.751527 0.5 271 63.546 0.000156234 -3.54014 63.546000 Cu 0.508262 0.753531 0.5 272 63.546 7.0488e-05 -3.54023 63.546000 Cu 0.606528 0.774083 0.5 276 63.546 0.000186746 -3.54026 63.546000 Cu 0.516401 0.776108 0.5 307 63.546 0.000186066 -3.54014 63.546000 Cu 0.647561 0.761758 1 273 63.546 0.000101619 -3.54009 63.546000 Cu 0.696686 0.771961 0.5 275 63.546 9.47562e-05 -3.53961 63.546000 Cu 0.737729 0.759612 1.8206e-16 236 63.546 9.75192e-06 -3.53964 63.546000 Cu 0.827919 0.757478 9.06705e-17 239 63.546 0.000286095 -3.53984 63.546000 Cu 0.836019 0.779995 1.95355e-16 240 63.546 0.000457413 -3.53974 63.546000 Cu 0.786824 0.769786 0.5 242 63.546 0.000292579 -3.53959 63.546000 Cu 0.91811 0.75547 1 202 63.546 9.36901e-05 -3.54013 63.546000 Cu 0.967244 0.765786 0.5 208 63.546 1.7532e-05 -3.54015 63.546000 Cu 0.877054 0.767731 0.5 241 63.546 0.000237501 -3.54006 63.546000 Cu 0.926255 0.778033 8.63585e-17 243 63.546 5.41221e-05 -3.54015 63.546000 Cu 0.0655696 0.786402 0.5 212 63.546 0.000332478 -3.54036 63.546000 Cu 0.0246235 0.798696 6.43197e-17 247 63.546 0.000362941 -3.54034 63.546000 Cu 0.0738226 0.808996 0.5 249 63.546 0.000574149 -3.54027 63.546000 Cu 0.114709 0.79666 1 210 63.546 0.000404615 -3.54024 63.546000 Cu 0.155697 0.7843 0.5 211 63.546 0.000132012 -3.53996 63.546000 Cu 0.163836 0.806855 0.5 213 63.546 0.000250112 -3.54 63.546000 Cu 0.204803 0.794479 1 378 63.546 6.67053e-05 -3.53979 63.546000 Cu 0.245819 0.782122 0.5 342 63.546 6.12752e-05 -3.53953 63.546000 Cu 0.295001 0.79229 0 340 63.546 0.000436252 -3.53959 63.546000 Cu 0.344209 0.8025 0.5 346 63.546 0.000798051 -3.5395 63.546000 Cu 0.253997 0.804628 0.5 380 63.546 0.000191458 -3.5394 63.546000 Cu 0.47544 0.788358 1.74873e-16 306 63.546 6.44414e-05 -3.54024 63.546000 Cu 0.38522 0.790261 9.54615e-17 343 63.546 0.000333631 -3.53989 63.546000 Cu 0.434466 0.800591 0.5 345 63.546 9.17655e-05 -3.5402 63.546000 Cu 0.483727 0.810947 1 347 63.546 0.00024043 -3.54039 63.546000 Cu 0.56557 0.786402 1.0145e-16 309 63.546 0.000332478 -3.54036 63.546000 Cu 0.573823 0.808996 1.19776e-19 310 63.546 0.000574149 -3.54027 63.546000 Cu 0.524624 0.798696 0.5 312 63.546 0.000362941 -3.54034 63.546000 Cu 0.614709 0.79666 0.5 311 63.546 0.000404615 -3.54024 63.546000 Cu 0.655697 0.7843 2.07931e-16 274 63.546 0.000132012 -3.53996 63.546000 Cu 0.704803 0.794479 0.5 280 63.546 6.67053e-05 -3.53979 63.546000 Cu 0.663836 0.806855 1.57146e-16 313 63.546 0.000250112 -3.54 63.546000 Cu 0.745819 0.782122 1.79784e-16 277 63.546 6.12752e-05 -3.53953 63.546000 Cu 0.753997 0.804628 2.38714e-16 278 63.546 0.000191458 -3.5394 63.546000 Cu 0.795001 0.79229 0.5 279 63.546 0.000436252 -3.53959 63.546000 Cu 0.844209 0.8025 8.21664e-17 281 63.546 0.000798051 -3.5395 63.546000 Cu 0.934466 0.800591 5.3468e-16 244 63.546 9.17655e-05 -3.5402 63.546000 Cu 0.97544 0.788358 0.5 245 63.546 6.44414e-05 -3.54024 63.546000 Cu 0.88522 0.790261 0.5 246 63.546 0.000333631 -3.53989 63.546000 Cu 0.983727 0.810947 0.5 250 63.546 0.00024043 -3.54039 63.546000 Cu 0.0329657 0.821305 0 248 63.546 0.000736709 -3.54047 63.546000 Cu 0.0821271 0.831617 0.5 254 63.546 0.00117201 -3.54065 63.546000 Cu 0.122993 0.819245 1 251 63.546 0.000685253 -3.54035 63.546000 Cu 0.13124 0.841852 2.45421e-16 252 63.546 0.00164771 -3.54059 63.546000 Cu 0.172118 0.829409 0.5 253 63.546 0.000522303 -3.53987 63.546000 Cu 0.21303 0.816991 1 379 63.546 0.000184247 -3.53942 63.546000 Cu 0.221256 0.839467 1 416 63.546 0.000580528 -3.53865 63.546000 Cu 0.303241 0.814765 1.30676e-16 381 63.546 0.00103715 -3.5391 63.546000 Cu 0.311549 0.837202 1 382 63.546 0.00221432 -3.53877 63.546000 Cu 0.352564 0.824985 0.5 383 63.546 0.00118525 -3.53953 63.546000 Cu 0.262258 0.827084 0.5 384 63.546 0.000853656 -3.5386 63.546000 Cu 0.393509 0.812782 1.22172e-17 344 63.546 0.000494242 -3.53988 63.546000 Cu 0.442833 0.823153 0.5 350 63.546 0.000131669 -3.54011 63.546000 Cu 0.4019 0.835303 1.19776e-19 385 63.546 0.000582717 -3.5398 63.546000 Cu 0.492104 0.833554 1 348 63.546 0.000676852 -3.54015 63.546000 Cu 0.532966 0.821305 0.5 349 63.546 0.000736709 -3.54047 63.546000 Cu 0.582127 0.831617 1.42414e-16 351 63.546 0.00117201 -3.54065 63.546000 Cu 0.622993 0.819245 0.5 316 63.546 0.000685253 -3.54035 63.546000 Cu 0.672118 0.829409 1.50918e-16 314 63.546 0.000522303 -3.53987 63.546000 Cu 0.71303 0.816991 0.5 315 63.546 0.000184247 -3.53942 63.546000 Cu 0.721256 0.839467 0.5 320 63.546 0.000580528 -3.53865 63.546000 Cu 0.63124 0.841852 0.5 353 63.546 0.00164771 -3.54059 63.546000 Cu 0.852564 0.824985 1.7128e-17 282 63.546 0.00118525 -3.53953 63.546000 Cu 0.803241 0.814765 0.5 284 63.546 0.00103715 -3.5391 63.546000 Cu 0.762258 0.827084 5.31806e-17 317 63.546 0.000853656 -3.5386 63.546000 Cu 0.811549 0.837202 0.5 319 63.546 0.00221432 -3.53877 63.546000 Cu 0.992104 0.833554 0.5 287 63.546 0.000676852 -3.54015 63.546000 Cu 0.893509 0.812782 0.5 283 63.546 0.000494242 -3.53988 63.546000 Cu 0.942833 0.823153 1.08038e-16 285 63.546 0.000131669 -3.54011 63.546000 Cu 0.9019 0.835303 0.5 288 63.546 0.000582717 -3.5398 63.546000 Cu 0.0412944 0.843941 8.67179e-17 289 63.546 0.0015609 -3.54065 63.546000 Cu 0.0495841 0.866646 3.19802e-17 290 63.546 0.00407232 -3.54087 63.546000 Cu 0.0903813 0.854286 0.5 291 63.546 0.00314007 -3.54109 63.546000 Cu 0.000408017 0.856181 0.5 292 63.546 0.00133605 -3.5403 63.546000 Cu 0.180271 0.851951 0.5 255 63.546 0.000925569 -3.53955 63.546000 Cu 0.139369 0.864499 2.39552e-19 293 63.546 0.00380693 -3.54062 63.546000 Cu 0.229352 0.861909 1.2277e-16 417 63.546 0.00188681 -3.53798 63.546000 Cu 0.188311 0.874494 0.5 446 63.546 0.00184343 -3.53905 63.546000 Cu 0.36088 0.847439 0.5 388 63.546 0.00192045 -3.53936 63.546000 Cu 0.270456 0.849484 0.5 418 63.546 0.00312375 -3.53815 63.546000 Cu 0.319764 0.859597 2.39552e-19 419 63.546 0.00446414 -3.5384 63.546000 Cu 0.278541 0.871841 0.5 422 63.546 0.0078489 -3.53685 63.546000 Cu 0.369083 0.869864 0.5 421 63.546 0.00305138 -3.53879 63.546000 Cu 0.410199 0.857817 1.22651e-16 386 63.546 0.000666285 -3.53943 63.546000 Cu 0.451202 0.84572 0.5 387 63.546 0.000300747 -3.53981 63.546000 Cu 0.459471 0.868297 0.5 392 63.546 0.000623888 -3.53987 63.546000 Cu 0.590381 0.854286 8.2885e-17 352 63.546 0.00314007 -3.54109 63.546000 Cu 0.541294 0.843941 0.5 354 63.546 0.0015609 -3.54065 63.546000 Cu 0.500408 0.856181 5.13839e-17 389 63.546 0.00133605 -3.5403 63.546000 Cu 0.549584 0.866646 0.5 391 63.546 0.00407232 -3.54087 63.546000 Cu 0.680271 0.851951 1.63135e-16 355 63.546 0.000925569 -3.53955 63.546000 Cu 0.688311 0.874494 8.81552e-17 356 63.546 0.00184343 -3.53905 63.546000 Cu 0.729352 0.861909 0.5 357 63.546 0.00188681 -3.53798 63.546000 Cu 0.639369 0.864499 0.5 358 63.546 0.00380693 -3.54062 63.546000 Cu 0.770456 0.849484 1 318 63.546 0.00312375 -3.53815 63.546000 Cu 0.86088 0.847439 2.00385e-16 321 63.546 0.00192045 -3.53936 63.546000 Cu 0.819764 0.859597 0.5 324 63.546 0.00446414 -3.5384 63.546000 Cu 0.778541 0.871841 1.27801e-16 359 63.546 0.0078489 -3.53685 63.546000 Cu 0.869083 0.869864 2.39552e-19 322 63.546 0.00305138 -3.53879 63.546000 Cu 0.951202 0.84572 6.43197e-17 286 63.546 0.000300747 -3.53981 63.546000 Cu 0.910199 0.857817 0.5 323 63.546 0.000666285 -3.53943 63.546000 Cu 0.959471 0.868297 1.2301e-16 325 63.546 0.000623888 -3.53987 63.546000 Cu 0.0985694 0.877026 0.5 295 63.546 0.00779305 -3.54127 63.546000 Cu 0.00873141 0.878862 0.5 327 63.546 0.00289601 -3.54021 63.546000 Cu 0.0578577 0.889421 3.59328e-19 329 63.546 0.00892369 -3.54061 63.546000 Cu 0.10688 0.899861 0.5 331 63.546 0.0194246 -3.54129 63.546000 Cu 0.0171018 0.901581 0.5 332 63.546 0.004805 -3.53907 63.546000 Cu 0.147506 0.887203 1.57266e-16 294 63.546 0.00911425 -3.54087 63.546000 Cu 0.196344 0.897051 0.5 450 63.546 0.00470087 -3.53765 63.546000 Cu 0.237349 0.884295 1.2277e-16 447 63.546 0.00668603 -3.53565 63.546000 Cu 0.327875 0.881928 3.67952e-16 420 63.546 0.00899795 -3.53727 63.546000 Cu 0.286588 0.894093 0.5 449 63.546 0.0210588 -3.53402 63.546000 Cu 0.336063 0.904176 1.22531e-16 451 63.546 0.0166956 -3.53593 63.546000 Cu 0.418425 0.880313 2.45182e-16 423 63.546 0.0010987 -3.53943 63.546000 Cu 0.426787 0.902801 6.44395e-17 424 63.546 0.00147753 -3.53846 63.546000 Cu 0.467795 0.890906 0.5 425 63.546 0.00116429 -3.53927 63.546000 Cu 0.377293 0.892251 0.5 426 63.546 0.00456138 -3.53834 63.546000 Cu 0.508731 0.878862 1 390 63.546 0.00289601 -3.54021 63.546000 Cu 0.598569 0.877026 2.39552e-19 393 63.546 0.00779305 -3.54127 63.546000 Cu 0.60688 0.899861 3.59328e-19 394 63.546 0.0194246 -3.54129 63.546000 Cu 0.557858 0.889421 0.5 396 63.546 0.00892369 -3.54061 63.546000 Cu 0.517102 0.901581 1.29238e-16 427 63.546 0.004805 -3.53907 63.546000 Cu 0.647506 0.887203 0.5 395 63.546 0.00911425 -3.54087 63.546000 Cu 0.696344 0.897051 7.92918e-17 397 63.546 0.00470087 -3.53765 63.546000 Cu 0.737349 0.884295 0.5 362 63.546 0.00668603 -3.53565 63.546000 Cu 0.786588 0.894093 5.90496e-17 360 63.546 0.0210588 -3.53402 63.546000 Cu 0.827875 0.881928 0.5 361 63.546 0.00899795 -3.53727 63.546000 Cu 0.836063 0.904176 0.5 366 63.546 0.0166956 -3.53593 63.546000 Cu 0.967795 0.890906 1 326 63.546 0.00116429 -3.53927 63.546000 Cu 0.918425 0.880313 0.5 328 63.546 0.0010987 -3.53943 63.546000 Cu 0.877293 0.892251 1 363 63.546 0.00456138 -3.53834 63.546000 Cu 0.926787 0.902801 0.5 365 63.546 0.00147753 -3.53846 63.546000 Cu 0.0663416 0.912275 1 330 63.546 0.0175009 -3.5397 63.546000 Cu 0.0256895 0.924363 0.5 369 63.546 0.00749373 -3.53728 63.546000 Cu 0.0749947 0.935256 1 371 63.546 0.0297272 -3.53661 63.546000 Cu 0.115396 0.922836 0.5 335 63.546 0.0433907 -3.54052 63.546000 Cu 0.155737 0.909998 2.45421e-16 333 63.546 0.0229457 -3.54067 63.546000 Cu 0.164166 0.933009 1 334 63.546 0.0695208 -3.53929 63.546000 Cu 0.204351 0.919688 0.5 470 63.546 0.0172604 -3.53424 63.546000 Cu 0.245314 0.906577 2.40989e-16 448 63.546 0.0254035 -3.5311 63.546000 Cu 0.344347 0.926328 1.24208e-16 452 63.546 0.0278048 -3.53492 63.546000 Cu 0.294693 0.916212 0.5 454 63.546 0.0561634 -3.52944 63.546000 Cu 0.253185 0.928707 3.04231e-17 471 63.546 0.104158 -3.51517 63.546000 Cu 0.476255 0.913516 0.5 430 63.546 0.00187006 -3.53804 63.546000 Cu 0.385664 0.914589 0.5 453 63.546 0.00602954 -3.53755 63.546000 Cu 0.435293 0.925275 2.65304e-16 455 63.546 0.00218601 -3.53756 63.546000 Cu 0.484866 0.936164 0.5 457 63.546 0.00284476 -3.53612 63.546000 Cu 0.394134 0.936884 0.5 458 63.546 0.00672835 -3.53739 63.546000 Cu 0.52569 0.924363 1.30556e-16 428 63.546 0.00749373 -3.53728 63.546000 Cu 0.566342 0.912275 0.5 429 63.546 0.0175009 -3.5397 63.546000 Cu 0.574995 0.935256 0.5 434 63.546 0.0297272 -3.53661 63.546000 Cu 0.615396 0.922836 3.80888e-17 431 63.546 0.0433907 -3.54052 63.546000 Cu 0.704351 0.919688 1 398 63.546 0.0172604 -3.53424 63.546000 Cu 0.655737 0.909998 0.5 400 63.546 0.0229457 -3.54067 63.546000 Cu 0.664166 0.933009 0.5 433 63.546 0.0695208 -3.53929 63.546000 Cu 0.745314 0.906577 0.5 399 63.546 0.0254035 -3.5311 63.546000 Cu 0.794693 0.916212 9.40242e-17 401 63.546 0.0561634 -3.52944 63.546000 Cu 0.844347 0.926328 0.5 403 63.546 0.0278048 -3.53492 63.546000 Cu 0.753185 0.928707 0.5 404 63.546 0.104158 -3.51517 63.546000 Cu 0.885664 0.914589 0 364 63.546 0.00602954 -3.53755 63.546000 Cu 0.976255 0.913516 1.2289e-16 367 63.546 0.00187006 -3.53804 63.546000 Cu 0.984866 0.936164 1.22651e-16 368 63.546 0.00284476 -3.53612 63.546000 Cu 0.935293 0.925275 0.5 370 63.546 0.00218601 -3.53756 63.546000 Cu 0.894134 0.936884 3.67832e-16 405 63.546 0.00672835 -3.53739 63.546000 Cu 0.0835485 0.958379 1 372 63.546 0.0482028 -3.52607 63.546000 Cu 0.0342692 0.947214 0.5 374 63.546 0.00964239 -3.53248 63.546000 Cu 0.123979 0.946082 0.5 373 63.546 0.0992153 -3.53415 63.546000 Cu 0.172846 0.956452 1.2313e-16 375 63.546 0.289848 -3.52172 63.546000 Cu 0.212031 0.942544 0.5 474 63.546 0.102247 -3.51596 63.546000 Cu 0.219142 0.966081 0.5 484 63.546 5.43744 -3.41582 63.546000 Cu 0.260921 0.950394 3.57172e-16 472 63.546 0.587887 -3.46015 63.546000 Cu 0.302748 0.93812 0.5 473 63.546 0.155834 -3.52099 63.546000 Cu 0.352741 0.94838 1.19776e-19 475 63.546 0.033402 -3.53607 63.546000 Cu 0.311107 0.959743 0.5 478 63.546 0.487404 -3.50374 63.546000 Cu 0.443786 0.947752 6.28824e-17 456 63.546 0.00490403 -3.53612 63.546000 Cu 0.402319 0.959158 0.5 477 63.546 0.0221552 -3.53648 63.546000 Cu 0.493076 0.958845 0.5 462 63.546 0.0180587 -3.53428 63.546000 Cu 0.534269 0.947214 1.66489e-16 459 63.546 0.00964239 -3.53248 63.546000 Cu 0.583548 0.958379 0.5 461 63.546 0.0482028 -3.52607 63.546000 Cu 0.623979 0.946082 1.22651e-16 432 63.546 0.0992153 -3.53415 63.546000 Cu 0.712031 0.942544 1 435 63.546 0.102247 -3.51596 63.546000 Cu 0.719142 0.966081 0 436 63.546 5.43744 -3.41582 63.546000 Cu 0.672846 0.956452 0.5 438 63.546 0.289848 -3.52172 63.546000 Cu 0.802748 0.93812 1 402 63.546 0.155834 -3.52099 63.546000 Cu 0.852741 0.94838 0.5 408 63.546 0.033402 -3.53607 63.546000 Cu 0.760921 0.950394 0.5 437 63.546 0.587887 -3.46015 63.546000 Cu 0.811107 0.959743 0 439 63.546 0.487404 -3.50374 63.546000 Cu 0.993076 0.958845 1 409 63.546 0.0180587 -3.53428 63.546000 Cu 0.902319 0.959158 1.22411e-16 406 63.546 0.0221552 -3.53648 63.546000 Cu 0.943786 0.947752 0.5 407 63.546 0.00490403 -3.53612 63.546000 Cu 0.0416008 0.970107 0.5 411 63.546 0.0595424 -3.53378 63.546000 Cu 0.0892189 0.98149 2.39552e-19 413 63.546 0.194627 -3.52338 63.546000 Cu 0.0413219 0.992924 0.5 415 63.546 0.0566221 -3.53269 63.546000 Cu 0.132423 0.969755 0.5 377 63.546 0.305121 -3.50243 63.546000 Cu 0.183896 0.981434 1.55948e-16 376 63.546 4.32591 -3.54103 63.546000 Cu 0.132026 0.993199 0.5 414 63.546 0.29702 -3.50076 63.546000 Cu 0.218708 0.996806 0.5 488 63.546 5.39548 -3.41563 63.546000 Cu 0.360176 0.970438 2.21107e-16 476 63.546 0.0867485 -3.53683 63.546000 Cu 0.270317 0.971247 9.58208e-19 485 63.546 7.14457 -3.24721 63.546000 Cu 0.269944 0.991649 1.05283e-16 486 63.546 7.16959 -3.24913 63.546000 Cu 0.315135 0.981479 0.5 487 63.546 3.1278 -3.47066 63.546000 Cu 0.359864 0.99256 0 489 63.546 0.083114 -3.53718 63.546000 Cu 0.450713 0.970267 1.57146e-16 479 63.546 0.0557947 -3.53877 63.546000 Cu 0.450414 0.992791 1.56068e-16 480 63.546 0.0520575 -3.53864 63.546000 Cu 0.406187 0.981511 0.5 482 63.546 0.0664435 -3.54226 63.546000 Cu 0.497286 0.981533 0.5 481 63.546 0.0855228 -3.54104 63.546000 Cu 0.541601 0.970107 6.27627e-17 460 63.546 0.0595424 -3.53378 63.546000 Cu 0.589219 0.98149 0.5 466 63.546 0.194627 -3.52338 63.546000 Cu 0.541322 0.992924 1.32951e-16 483 63.546 0.0566221 -3.53269 63.546000 Cu 0.632423 0.969755 8.67179e-17 463 63.546 0.305121 -3.50243 63.546000 Cu 0.632026 0.993199 2.37037e-16 464 63.546 0.29702 -3.50076 63.546000 Cu 0.683896 0.981434 0.5 465 63.546 4.32591 -3.54103 63.546000 Cu 0.718708 0.996806 1.22651e-16 467 63.546 5.39548 -3.41563 63.546000 Cu 0.815135 0.981479 0 440 63.546 3.1278 -3.47066 63.546000 Cu 0.860176 0.970438 0.5 441 63.546 0.0867485 -3.53683 63.546000 Cu 0.770317 0.971247 0.5 442 63.546 7.14457 -3.24721 63.546000 Cu 0.769944 0.991649 0.5 468 63.546 7.16959 -3.24913 63.546000 Cu 0.859864 0.99256 0.5 445 63.546 0.083114 -3.53718 63.546000 Cu 0.997286 0.981533 2.39552e-19 410 63.546 0.0855228 -3.54104 63.546000 Cu 0.950713 0.970267 0.5 412 63.546 0.0557947 -3.53877 63.546000 Cu 0.906187 0.981511 0 443 63.546 0.0664435 -3.54226 63.546000 Cu 0.950414 0.992791 0.5 444 63.546 0.0520575 -3.53864