Number of particles = 972 A = 1 Angstrom (basic length-scale) H0(1,1) = 28.2465 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 112.942 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 0.0384625 0.00544548 9.00024e-20 501 63.546 0.0169515 -3.53347 63.546000 Cu 0.0298793 0.0283045 0 514 63.546 0.00417722 -3.53651 63.546000 Cu 0.119696 0.0293436 1.71305e-17 515 63.546 0.0322182 -3.53697 63.546000 Cu 0.0793852 0.0171927 0.5 516 63.546 0.0161517 -3.53184 63.546000 Cu 0.128682 0.0059174 1 518 63.546 0.0756282 -3.52528 63.546000 Cu 0.168418 0.0185669 0.5 520 63.546 0.0798049 -3.52961 63.546000 Cu 0.217084 0.00824511 1.50004e-19 519 63.546 0.22393 -3.51961 63.546000 Cu 0.208627 0.0317763 1.47514e-16 540 63.546 0.0408474 -3.5366 63.546000 Cu 0.298106 0.0357863 1 541 63.546 0.09314 -3.51707 63.546000 Cu 0.256694 0.0220603 0.5 542 63.546 0.0950374 -3.52986 63.546000 Cu 0.305887 0.0138656 1 544 63.546 0.548579 -3.47167 63.546000 Cu 0.39814 0.0159019 7.2452e-17 545 63.546 0.0356648 -3.53178 63.546000 Cu 0.356579 0.00444555 0.5 546 63.546 0.495339 -3.4933 63.546000 Cu 0.347806 0.0261883 0.5 547 63.546 0.123756 -3.51932 63.546000 Cu 0.447784 0.00506193 0.5 548 63.546 0.0202724 -3.53691 63.546000 Cu 0.389303 0.0380203 2.70007e-19 574 63.546 0.0200352 -3.53203 63.546000 Cu 0.439238 0.0274671 0.5 576 63.546 0.0072896 -3.53558 63.546000 Cu 0.489076 0.0165562 2.05206e-17 578 63.546 0.00573735 -3.53657 63.546000 Cu 0.579384 0.017151 1 579 63.546 0.0163402 -3.5319 63.546000 Cu 0.53848 0.00538836 0.5 580 63.546 0.0173867 -3.53389 63.546000 Cu 0.52989 0.0282563 0.5 581 63.546 0.00431529 -3.53622 63.546000 Cu 0.628674 0.00587755 0.5 582 63.546 0.0757804 -3.52581 63.546000 Cu 0.619688 0.0293097 0.5 618 63.546 0.0321957 -3.53652 63.546000 Cu 0.668403 0.0185479 1 620 63.546 0.0787363 -3.52937 63.546000 Cu 0.805928 0.0138784 0.5 492 63.546 0.550899 -3.47127 63.546000 Cu 0.798111 0.0357926 0.5 494 63.546 0.0927536 -3.51696 63.546000 Cu 0.756672 0.0220511 1.09683e-16 621 63.546 0.0971897 -3.52975 63.546000 Cu 0.717091 0.00823287 0.5 622 63.546 0.22351 -3.51969 63.546000 Cu 0.708614 0.0317589 0.5 623 63.546 0.0410589 -3.53613 63.546000 Cu 0.856627 0.00447142 1.49914e-16 491 63.546 0.497742 -3.49325 63.546000 Cu 0.847817 0.0262144 1 496 63.546 0.125461 -3.51972 63.546000 Cu 0.939235 0.0275154 4.89613e-17 497 63.546 0.00769722 -3.53579 63.546000 Cu 0.898196 0.0159322 0.5 498 63.546 0.0357818 -3.53174 63.546000 Cu 0.889324 0.0380525 0.5 499 63.546 0.0200329 -3.53245 63.546000 Cu 0.947828 0.00510641 1 500 63.546 0.0212091 -3.53649 63.546000 Cu 0.989074 0.0166075 0.5 502 63.546 0.00554173 -3.53627 63.546000 Cu 0.0209744 0.0510382 2.46787e-16 511 63.546 0.00233528 -3.53813 63.546000 Cu 0.0704451 0.0402208 0.5 517 63.546 0.00878677 -3.53769 63.546000 Cu 0.10216 0.0752715 2.85728e-16 533 63.546 0.00750734 -3.54145 63.546000 Cu 0.0615988 0.0630519 0.5 534 63.546 0.00479583 -3.53958 63.546000 Cu 0.110889 0.052409 1 536 63.546 0.0162267 -3.54029 63.546000 Cu 0.159899 0.0419106 0.5 538 63.546 0.0327675 -3.53958 63.546000 Cu 0.151259 0.0648903 0.5 539 63.546 0.0135153 -3.54183 63.546000 Cu 0.0121733 0.0736729 1.76345e-16 532 63.546 0.00123408 -3.53965 63.546000 Cu 0.20022 0.0547724 2.30466e-16 537 63.546 0.012916 -3.54065 63.546000 Cu 0.249007 0.0450063 0.5 543 63.546 0.013242 -3.5391 63.546000 Cu 0.240764 0.0676355 0.5 568 63.546 0.00361855 -3.53896 63.546000 Cu 0.289961 0.0579689 2.46007e-18 570 63.546 0.0216666 -3.53013 63.546000 Cu 0.331053 0.0703494 0.5 573 63.546 0.0124563 -3.53343 63.546000 Cu 0.339498 0.048179 0.5 572 63.546 0.0372871 -3.52666 63.546000 Cu 0.380684 0.0602187 1 571 63.546 0.0100411 -3.5347 63.546000 Cu 0.480194 0.0391489 3.00008e-20 575 63.546 0.00255389 -3.53728 63.546000 Cu 0.430421 0.0498213 0.5 577 63.546 0.00495154 -3.53656 63.546000 Cu 0.421716 0.0721905 0.5 610 63.546 0.00294942 -3.53786 63.546000 Cu 0.471349 0.0616789 1 612 63.546 0.00143212 -3.53865 63.546000 Cu 0.512162 0.0736516 0.5 615 63.546 0.00116693 -3.53969 63.546000 Cu 0.561585 0.0630208 4.89613e-17 613 63.546 0.00468806 -3.53989 63.546000 Cu 0.520959 0.0509992 0.5 614 63.546 0.00229756 -3.53856 63.546000 Cu 0.570434 0.0401746 1 616 63.546 0.00902678 -3.53786 63.546000 Cu 0.659895 0.0418791 2.96078e-16 617 63.546 0.0331959 -3.53957 63.546000 Cu 0.61088 0.0523811 0.5 619 63.546 0.0156934 -3.54058 63.546000 Cu 0.602134 0.0752487 0.5 658 63.546 0.0071993 -3.54118 63.546000 Cu 0.651248 0.0648573 4.89613e-17 660 63.546 0.0142524 -3.54155 63.546000 Cu 0.789946 0.0579772 0.5 495 63.546 0.0224533 -3.52972 63.546000 Cu 0.83104 0.0703623 1 506 63.546 0.0127355 -3.533 63.546000 Cu 0.740759 0.067618 1 661 63.546 0.00350011 -3.53877 63.546000 Cu 0.700224 0.0547497 0.5 662 63.546 0.0134331 -3.54045 63.546000 Cu 0.74902 0.0449922 1 664 63.546 0.0132119 -3.53896 63.546000 Cu 0.839484 0.0482065 1 493 63.546 0.0387708 -3.5267 63.546000 Cu 0.921699 0.072216 1.25823e-16 507 63.546 0.00305662 -3.53756 63.546000 Cu 0.880665 0.060251 0.5 508 63.546 0.0105392 -3.5344 63.546000 Cu 0.930402 0.0498664 2.62447e-16 510 63.546 0.00522635 -3.53663 63.546000 Cu 0.980207 0.0392006 0.5 512 63.546 0.00265723 -3.53732 63.546000 Cu 0.971363 0.0617162 0.5 513 63.546 0.00154661 -3.53837 63.546000 Cu 0.0528861 0.0857697 0.5 535 63.546 0.00238952 -3.54091 63.546000 Cu 0.0442742 0.10841 0.5 560 63.546 0.0010909 -3.5407 63.546000 Cu 0.0935533 0.0980128 7.11019e-18 562 63.546 0.00313371 -3.54148 63.546000 Cu 0.142708 0.0876896 0.5 564 63.546 0.00516553 -3.54188 63.546000 Cu 0.134213 0.11038 0.5 565 63.546 0.00194728 -3.54135 63.546000 Cu 0.00348316 0.0962598 1 529 63.546 0.000559565 -3.53982 63.546000 Cu 0.183344 0.100201 1.71515e-16 563 63.546 0.00157677 -3.54094 63.546000 Cu 0.191768 0.0775437 1 566 63.546 0.00444973 -3.54098 63.546000 Cu 0.281639 0.0802763 1 567 63.546 0.0058637 -3.53474 63.546000 Cu 0.232459 0.0901667 0.5 569 63.546 0.00116518 -3.53888 63.546000 Cu 0.224103 0.112691 0.5 602 63.546 0.000366107 -3.54001 63.546000 Cu 0.273322 0.10266 1 604 63.546 0.0016827 -3.53768 63.546000 Cu 0.322642 0.0926331 0.5 606 63.546 0.004431 -3.53619 63.546000 Cu 0.314265 0.115003 0.5 607 63.546 0.00162368 -3.53833 63.546000 Cu 0.36365 0.104849 1.20003e-19 605 63.546 0.00222544 -3.53811 63.546000 Cu 0.372128 0.0825019 1.27443e-16 608 63.546 0.00482823 -3.53686 63.546000 Cu 0.462646 0.0841828 1 609 63.546 0.000844571 -3.53903 63.546000 Cu 0.413137 0.0945812 0.5 611 63.546 0.00150545 -3.5385 63.546000 Cu 0.454081 0.10667 1 652 63.546 0.000439019 -3.53927 63.546000 Cu 0.503481 0.0962459 0.5 654 63.546 0.000556143 -3.53976 63.546000 Cu 0.544256 0.108406 1.38004e-18 653 63.546 0.000944133 -3.54082 63.546000 Cu 0.552863 0.0857511 7.2692e-17 656 63.546 0.00223307 -3.54049 63.546000 Cu 0.642678 0.0876596 1 657 63.546 0.00588863 -3.54198 63.546000 Cu 0.593527 0.0979934 0.5 659 63.546 0.00322492 -3.54148 63.546000 Cu 0.634203 0.110362 1 700 63.546 0.00242043 -3.54138 63.546000 Cu 0.822616 0.0926444 1.21383e-16 503 63.546 0.0046311 -3.53647 63.546000 Cu 0.781613 0.0802817 0.5 504 63.546 0.00645656 -3.53494 63.546000 Cu 0.773278 0.102672 0.5 505 63.546 0.00200024 -3.53785 63.546000 Cu 0.814221 0.115019 4.96513e-17 524 63.546 0.00186877 -3.53821 63.546000 Cu 0.691755 0.0775133 0.5 663 63.546 0.00505836 -3.54117 63.546000 Cu 0.724054 0.112696 3.45609e-17 701 63.546 0.00047653 -3.53956 63.546000 Cu 0.683317 0.100185 0.5 702 63.546 0.00181893 -3.54112 63.546000 Cu 0.732438 0.0901621 1.78445e-16 704 63.546 0.0012043 -3.53943 63.546000 Cu 0.872097 0.0825217 0.5 509 63.546 0.00513378 -3.53665 63.546000 Cu 0.863632 0.104861 0.5 526 63.546 0.00227086 -3.53849 63.546000 Cu 0.913133 0.0945939 1.42204e-16 528 63.546 0.00148342 -3.53835 63.546000 Cu 0.96264 0.0842024 0.5 530 63.546 0.000887127 -3.53898 63.546000 Cu 0.954077 0.106674 0.5 531 63.546 0.000378148 -3.53918 63.546000 Cu 0.0849849 0.120667 1.80005e-19 559 63.546 0.00127273 -3.54112 63.546000 Cu 0.0356484 0.131 0.5 561 63.546 0.000448507 -3.5403 63.546000 Cu 0.0270478 0.153554 0.5 594 63.546 0.000216799 -3.54032 63.546000 Cu 0.0763822 0.143257 1 596 63.546 0.000540859 -3.54042 63.546000 Cu 0.166405 0.145359 3.09908e-17 597 63.546 0.000307395 -3.54034 63.546000 Cu 0.125676 0.132998 0.5 598 63.546 0.000778731 -3.54069 63.546000 Cu 0.174924 0.122803 4.89613e-17 600 63.546 0.000603537 -3.54059 63.546000 Cu 0.26494 0.125112 3.47079e-16 601 63.546 0.000680781 -3.53926 63.546000 Cu 0.215669 0.135217 0.5 603 63.546 0.000132779 -3.53972 63.546000 Cu 0.256475 0.147578 4.89613e-17 644 63.546 0.000248069 -3.53904 63.546000 Cu 0.305816 0.137434 0.5 646 63.546 0.000643281 -3.5386 63.546000 Cu 0.34668 0.149691 1.46524e-16 645 63.546 0.000318471 -3.53912 63.546000 Cu 0.355199 0.12725 1 648 63.546 0.000842706 -3.53852 63.546000 Cu 0.445488 0.12916 8.45423e-17 649 63.546 0.000181379 -3.53955 63.546000 Cu 0.404631 0.117003 0.5 650 63.546 0.000735429 -3.53901 63.546000 Cu 0.396055 0.139456 0.5 651 63.546 0.000323297 -3.5392 63.546000 Cu 0.494908 0.118807 0.5 655 63.546 0.000265906 -3.53994 63.546000 Cu 0.436894 0.151664 2.29926e-16 692 63.546 8.93738e-05 -3.53996 63.546000 Cu 0.486275 0.141353 0.5 694 63.546 7.17279e-05 -3.54012 63.546000 Cu 0.527058 0.153578 1 693 63.546 0.000188243 -3.54014 63.546000 Cu 0.535656 0.131011 1 696 63.546 0.000353835 -3.54048 63.546000 Cu 0.625656 0.132995 5.63715e-17 697 63.546 0.000955908 -3.54096 63.546000 Cu 0.584979 0.120663 0.5 698 63.546 0.00126011 -3.54125 63.546000 Cu 0.57638 0.143273 0.5 699 63.546 0.000529671 -3.54037 63.546000 Cu 0.666359 0.145369 0.5 742 63.546 0.000318707 -3.54068 63.546000 Cu 0.674892 0.122794 0.5 703 63.546 0.000767164 -3.5404 63.546000 Cu 0.805778 0.137436 1 522 63.546 0.000710702 -3.53845 63.546000 Cu 0.764903 0.125113 0.5 523 63.546 0.00070307 -3.53891 63.546000 Cu 0.715615 0.135219 1.89665e-16 744 63.546 0.000197929 -3.53992 63.546000 Cu 0.756423 0.147581 0.5 745 63.546 0.000278735 -3.53921 63.546000 Cu 0.904608 0.117013 8.37923e-17 525 63.546 0.000797884 -3.53907 63.546000 Cu 0.85516 0.127254 0.5 527 63.546 0.000909903 -3.53821 63.546000 Cu 0.846624 0.149686 0.5 552 63.546 0.000345248 -3.53875 63.546000 Cu 0.896011 0.139453 1.79375e-16 554 63.546 0.000361512 -3.5389 63.546000 Cu 0.986269 0.141334 0 555 63.546 9.89849e-05 -3.54013 63.546000 Cu 0.945459 0.129154 0.5 556 63.546 0.00014732 -3.53946 63.546000 Cu 0.936856 0.151645 0.5 557 63.546 9.55489e-05 -3.54003 63.546000 Cu 0.994897 0.118808 7.11019e-17 558 63.546 0.000259902 -3.53984 63.546000 Cu 0.0678175 0.165819 1 593 63.546 0.000313983 -3.54033 63.546000 Cu 0.0185395 0.176103 0.5 595 63.546 0.000137577 -3.54038 63.546000 Cu 0.117125 0.155568 0.5 599 63.546 0.000380602 -3.54036 63.546000 Cu 0.0594876 0.18837 1 636 63.546 0.000128826 -3.54064 63.546000 Cu 0.14968 0.19043 1 637 63.546 0.000140368 -3.54016 63.546000 Cu 0.108692 0.178109 0.5 638 63.546 0.00041245 -3.54052 63.546000 Cu 0.157927 0.167902 1.27053e-16 640 63.546 0.000205005 -3.54025 63.546000 Cu 0.248062 0.17007 2.53447e-16 641 63.546 0.000113849 -3.53968 63.546000 Cu 0.207205 0.157735 0.5 642 63.546 6.02288e-05 -3.53999 63.546000 Cu 0.198843 0.180251 0.5 643 63.546 6.37826e-05 -3.53981 63.546000 Cu 0.297325 0.159889 0.5 647 63.546 0.000210557 -3.53924 63.546000 Cu 0.289019 0.182386 0.5 686 63.546 8.96882e-05 -3.53993 63.546000 Cu 0.33823 0.172178 1 688 63.546 0.000216131 -3.53973 63.546000 Cu 0.428398 0.174183 6.09916e-17 689 63.546 0.000125521 -3.54009 63.546000 Cu 0.387517 0.161946 0.5 690 63.546 0.000286031 -3.53965 63.546000 Cu 0.379181 0.184455 0.5 691 63.546 0.000167663 -3.54006 63.546000 Cu 0.477693 0.163891 0.5 695 63.546 9.50345e-05 -3.54021 63.546000 Cu 0.469374 0.186431 0.5 734 63.546 1.15157e-05 -3.54001 63.546000 Cu 0.51857 0.176138 1.69595e-16 736 63.546 0.000112554 -3.54028 63.546000 Cu 0.608711 0.17815 1 737 63.546 0.000184215 -3.54063 63.546000 Cu 0.567826 0.165845 0.5 738 63.546 0.000356782 -3.54044 63.546000 Cu 0.5595 0.188408 0.5 739 63.546 0.000125261 -3.54032 63.546000 Cu 0.617087 0.155589 1 740 63.546 0.000353855 -3.54039 63.546000 Cu 0.657887 0.167928 0.5 743 63.546 0.000153503 -3.5403 63.546000 Cu 0.649631 0.190471 0.5 782 63.546 4.63132e-05 -3.5403 63.546000 Cu 0.788942 0.182371 1.62454e-16 549 63.546 6.93155e-05 -3.53957 63.546000 Cu 0.797244 0.159882 2.02955e-16 550 63.546 0.000266248 -3.53918 63.546000 Cu 0.707132 0.15774 1.93475e-16 741 63.546 9.60033e-05 -3.54005 63.546000 Cu 0.698805 0.180264 4.42032e-16 784 63.546 2.86805e-05 -3.5399 63.546000 Cu 0.747988 0.170074 0.5 785 63.546 0.000145638 -3.53946 63.546000 Cu 0.838158 0.172161 0.5 553 63.546 0.000226157 -3.53977 63.546000 Cu 0.887468 0.161921 3.7981e-17 551 63.546 0.000216666 -3.53974 63.546000 Cu 0.87914 0.184417 1.23993e-16 588 63.546 8.91896e-05 -3.53992 63.546000 Cu 0.969324 0.186396 1 589 63.546 3.04842e-05 -3.53975 63.546000 Cu 0.928371 0.174153 0.5 590 63.546 0.000111944 -3.54011 63.546000 Cu 0.977686 0.163862 5.54415e-17 592 63.546 7.64231e-05 -3.54039 63.546000 Cu 0.0513031 0.210907 1 633 63.546 9.73434e-05 -3.54033 63.546000 Cu 0.100503 0.200651 0.5 639 63.546 0.000186078 -3.54053 63.546000 Cu 0.0922096 0.223191 0.5 678 63.546 6.6829e-05 -3.5401 63.546000 Cu 0.141441 0.212957 1.53004e-17 680 63.546 9.85252e-05 -3.53996 63.546000 Cu 0.0103049 0.198641 0.5 634 63.546 3.26142e-05 -3.53996 63.546000 Cu 0.00206161 0.221178 0.5 635 63.546 2.31154e-05 -3.5405 63.546000 Cu 0.231622 0.215079 1.53124e-16 681 63.546 1.94553e-05 -3.53972 63.546000 Cu 0.190662 0.202755 0.5 682 63.546 5.21316e-05 -3.53971 63.546000 Cu 0.182354 0.225264 0.5 683 63.546 8.80924e-05 -3.5397 63.546000 Cu 0.239855 0.192576 1 684 63.546 1.61372e-05 -3.5396 63.546000 Cu 0.33001 0.194695 2.24706e-17 685 63.546 0.000147624 -3.53985 63.546000 Cu 0.280843 0.204899 0.5 687 63.546 8.38705e-05 -3.5396 63.546000 Cu 0.272543 0.227405 0.5 726 63.546 1.87753e-05 -3.53976 63.546000 Cu 0.321773 0.217215 1.22853e-16 728 63.546 0.000135265 -3.53991 63.546000 Cu 0.411945 0.219269 2.68237e-16 729 63.546 0.000155838 -3.54003 63.546000 Cu 0.370996 0.206985 0.5 730 63.546 0.000152073 -3.53995 63.546000 Cu 0.362704 0.229519 0.5 731 63.546 0.000152159 -3.54009 63.546000 Cu 0.420154 0.196723 1.22733e-16 732 63.546 9.71578e-05 -3.54011 63.546000 Cu 0.461115 0.208978 0.5 735 63.546 1.21044e-05 -3.5402 63.546000 Cu 0.510305 0.19868 7.12519e-17 733 63.546 0.000101888 -3.54 63.546000 Cu 0.50206 0.221244 1.17453e-16 776 63.546 2.54865e-05 -3.54073 63.546000 Cu 0.592177 0.223248 1 777 63.546 6.46166e-05 -3.54017 63.546000 Cu 0.551261 0.210957 0.5 778 63.546 0.000107391 -3.54047 63.546000 Cu 0.600447 0.200703 1.90655e-16 780 63.546 6.46339e-05 -3.54025 63.546000 Cu 0.641377 0.213007 0.5 783 63.546 2.42818e-05 -3.53997 63.546000 Cu 0.772497 0.227378 1 583 63.546 1.20957e-05 -3.53983 63.546000 Cu 0.780739 0.204874 1.63294e-16 584 63.546 1.99883e-05 -3.53972 63.546000 Cu 0.82994 0.194658 0.5 586 63.546 7.48314e-05 -3.53989 63.546000 Cu 0.82172 0.217159 0.5 587 63.546 4.30011e-05 -3.53974 63.546000 Cu 0.690565 0.202789 1 781 63.546 2.38719e-05 -3.53982 63.546000 Cu 0.739765 0.19258 0.5 786 63.546 2.81655e-05 -3.53964 63.546000 Cu 0.682323 0.225305 6.00016e-19 824 63.546 2.19255e-05 -3.53956 63.546000 Cu 0.731528 0.215081 0.5 825 63.546 1.30937e-05 -3.53965 63.546000 Cu 0.87094 0.206927 1 585 63.546 8.24226e-05 -3.53985 63.546000 Cu 0.920138 0.196671 0.5 591 63.546 3.59809e-05 -3.53964 63.546000 Cu 0.862648 0.229444 1 628 63.546 5.87612e-05 -3.5396 63.546000 Cu 0.911884 0.219192 0.5 630 63.546 4.67779e-05 -3.53982 63.546000 Cu 0.961105 0.208916 1 632 63.546 1.97776e-05 -3.53991 63.546000 Cu 0.0346799 0.256004 2.26176e-16 673 63.546 2.82583e-05 -3.53983 63.546000 Cu 0.0429634 0.23345 1 676 63.546 3.45911e-05 -3.54047 63.546000 Cu 0.13311 0.23548 1.51084e-16 677 63.546 0.000107881 -3.53978 63.546000 Cu 0.0838793 0.245733 0.5 679 63.546 4.54876e-05 -3.54004 63.546000 Cu 0.075662 0.268262 0.5 718 63.546 5.48607e-05 -3.53973 63.546000 Cu 0.124841 0.257999 2.54917e-16 720 63.546 0.000147768 -3.53982 63.546000 Cu 0.174041 0.247769 0.5 722 63.546 0.000223071 -3.53956 63.546000 Cu 0.215047 0.260078 1.22583e-16 721 63.546 0.00015869 -3.53949 63.546000 Cu 0.223275 0.237581 1.42354e-16 724 63.546 5.18576e-05 -3.5396 63.546000 Cu 0.313463 0.239731 6.00016e-20 725 63.546 9.06765e-05 -3.54006 63.546000 Cu 0.264216 0.249912 0.5 727 63.546 4.50429e-05 -3.53973 63.546000 Cu 0.305238 0.262245 1.57354e-16 768 63.546 8.45129e-05 -3.53969 63.546000 Cu 0.395372 0.264357 1 769 63.546 0.000178481 -3.54008 63.546000 Cu 0.354401 0.252049 0.5 770 63.546 0.000158927 -3.53996 63.546000 Cu 0.403617 0.241815 1 772 63.546 0.000162381 -3.5401 63.546000 Cu 0.493748 0.243809 1.23033e-16 773 63.546 1.20775e-05 -3.54021 63.546000 Cu 0.452817 0.231539 0.5 774 63.546 4.05779e-05 -3.54031 63.546000 Cu 0.44455 0.254096 0.5 775 63.546 8.59215e-05 -3.54004 63.546000 Cu 0.485469 0.26637 1.50004e-19 816 63.546 7.28873e-05 -3.54 63.546000 Cu 0.542944 0.233516 0.5 779 63.546 3.90773e-05 -3.5403 63.546000 Cu 0.575569 0.268328 1 817 63.546 0.000131245 -3.54012 63.546000 Cu 0.534636 0.256073 0.5 818 63.546 1.9955e-05 -3.5399 63.546000 Cu 0.583837 0.245783 3.6001e-19 820 63.546 9.48099e-05 -3.53975 63.546000 Cu 0.633088 0.235535 0.5 822 63.546 2.99743e-05 -3.53954 63.546000 Cu 0.624766 0.258054 0.5 823 63.546 0.000108504 -3.5397 63.546000 Cu 0.673985 0.247812 1.22913e-16 821 63.546 6.8107e-05 -3.53954 63.546000 Cu 0.764191 0.24989 2.44627e-16 624 63.546 1.87192e-05 -3.54001 63.546000 Cu 0.813424 0.239673 0.5 626 63.546 2.36022e-05 -3.53986 63.546000 Cu 0.805195 0.262193 0.5 627 63.546 3.36037e-05 -3.53996 63.546000 Cu 0.723237 0.237588 0.5 826 63.546 2.97925e-05 -3.53969 63.546000 Cu 0.714979 0.260097 0.5 866 63.546 7.08819e-05 -3.53993 63.546000 Cu 0.854375 0.251973 1 625 63.546 6.67155e-05 -3.54019 63.546000 Cu 0.952789 0.231454 6.00016e-20 629 63.546 2.55077e-05 -3.54035 63.546000 Cu 0.903581 0.241725 0.5 631 63.546 5.49555e-05 -3.54014 63.546000 Cu 0.895361 0.26427 0.5 670 63.546 8.62735e-05 -3.54047 63.546000 Cu 0.944545 0.254003 4.01411e-17 672 63.546 1.78463e-05 -3.54033 63.546000 Cu 0.993757 0.243726 0.5 674 63.546 8.96402e-06 -3.54053 63.546000 Cu 0.985504 0.26628 0.5 675 63.546 3.37811e-05 -3.53999 63.546000 Cu 0.0185506 0.301097 1 713 63.546 0.000134126 -3.54009 63.546000 Cu 0.0264954 0.278544 4.89613e-17 716 63.546 9.09672e-05 -3.54023 63.546000 Cu 0.116713 0.280515 1 717 63.546 0.00022322 -3.53992 63.546000 Cu 0.067592 0.290795 0.5 719 63.546 0.000134392 -3.54018 63.546000 Cu 0.165869 0.27028 0.5 723 63.546 0.000216158 -3.53965 63.546000 Cu 0.108796 0.303031 1.59904e-17 760 63.546 0.000345141 -3.53965 63.546000 Cu 0.157843 0.292787 0.5 762 63.546 0.000393661 -3.5397 63.546000 Cu 0.199083 0.30508 1 761 63.546 0.000505447 -3.53937 63.546000 Cu 0.206921 0.282579 3.12038e-16 764 63.546 0.000359753 -3.53965 63.546000 Cu 0.297129 0.284763 2.83748e-16 765 63.546 9.04209e-05 -3.53957 63.546000 Cu 0.256044 0.272411 0.5 766 63.546 8.20201e-05 -3.5396 63.546000 Cu 0.24808 0.294919 0.5 767 63.546 0.000156852 -3.53936 63.546000 Cu 0.289271 0.307284 2.56087e-16 808 63.546 0.000205458 -3.53948 63.546000 Cu 0.338237 0.297121 0.5 810 63.546 0.000226877 -3.53989 63.546000 Cu 0.346199 0.274579 0.5 771 63.546 0.000222549 -3.53982 63.546000 Cu 0.387249 0.286917 1 812 63.546 0.00034983 -3.54041 63.546000 Cu 0.477349 0.28895 1 813 63.546 0.000298925 -3.54055 63.546000 Cu 0.436334 0.276656 0.5 814 63.546 0.000192806 -3.54038 63.546000 Cu 0.428359 0.299239 0.5 815 63.546 0.000397701 -3.54065 63.546000 Cu 0.526429 0.27864 0.5 819 63.546 0.000162089 -3.54053 63.546000 Cu 0.518524 0.301205 0.5 858 63.546 0.000116664 -3.54036 63.546000 Cu 0.567545 0.290885 1 860 63.546 8.62713e-05 -3.54018 63.546000 Cu 0.657802 0.292829 1.50004e-19 861 63.546 0.000266359 -3.53968 63.546000 Cu 0.616607 0.280579 0.5 862 63.546 0.000270741 -3.5399 63.546000 Cu 0.608757 0.303101 0.5 863 63.546 0.000246789 -3.53985 63.546000 Cu 0.665747 0.270323 1 864 63.546 0.000216363 -3.53978 63.546000 Cu 0.797084 0.284711 0.5 666 63.546 0.000101432 -3.53929 63.546000 Cu 0.789272 0.307226 0.5 667 63.546 0.000125972 -3.53947 63.546000 Cu 0.755998 0.272394 1.08033e-16 865 63.546 0.000107244 -3.5396 63.546000 Cu 0.706874 0.282594 0.5 867 63.546 0.000265361 -3.5396 63.546000 Cu 0.699062 0.305091 0.5 904 63.546 0.000404922 -3.53923 63.546000 Cu 0.748058 0.294896 1 906 63.546 0.000158247 -3.53901 63.546000 Cu 0.838236 0.297044 1.27203e-17 665 63.546 0.000168787 -3.53974 63.546000 Cu 0.846182 0.274512 1 668 63.546 0.0001767 -3.54007 63.546000 Cu 0.936353 0.276558 1 669 63.546 0.000107492 -3.54052 63.546000 Cu 0.887237 0.286826 0.5 671 63.546 0.000324662 -3.54043 63.546000 Cu 0.928408 0.299129 1 712 63.546 0.000249797 -3.54054 63.546000 Cu 0.977388 0.288844 0.5 714 63.546 0.000226869 -3.54041 63.546000 Cu 0.101194 0.325532 1 757 63.546 0.000453236 -3.53953 63.546000 Cu 0.0598091 0.313325 0.5 758 63.546 0.000151305 -3.53983 63.546000 Cu 0.0522295 0.335849 0.5 759 63.546 0.000175903 -3.53986 63.546000 Cu 0.150123 0.31528 0.5 763 63.546 0.000626512 -3.5393 63.546000 Cu 0.142629 0.337743 0.5 802 63.546 0.00132225 -3.53866 63.546000 Cu 0.0108823 0.323656 1 756 63.546 0.000138359 -3.54035 63.546000 Cu 0.191551 0.327569 1.07523e-16 804 63.546 0.000766702 -3.53848 63.546000 Cu 0.281784 0.32983 1 805 63.546 0.000196618 -3.53991 63.546000 Cu 0.240406 0.317421 0.5 806 63.546 0.000365209 -3.53901 63.546000 Cu 0.23297 0.339911 0.5 807 63.546 0.000980196 -3.53858 63.546000 Cu 0.330578 0.319684 0.5 811 63.546 0.000274616 -3.54041 63.546000 Cu 0.323137 0.342288 0.5 850 63.546 0.00067916 -3.54054 63.546000 Cu 0.379403 0.309496 4.83013e-16 809 63.546 0.000638847 -3.54037 63.546000 Cu 0.371863 0.332109 1.50004e-19 852 63.546 0.00103335 -3.54083 63.546000 Cu 0.461911 0.334144 1 853 63.546 0.000868639 -3.54082 63.546000 Cu 0.420627 0.321842 0.5 854 63.546 0.000836555 -3.54076 63.546000 Cu 0.413109 0.344493 0.5 855 63.546 0.00193388 -3.54108 63.546000 Cu 0.469509 0.311536 1 856 63.546 0.000490519 -3.54066 63.546000 Cu 0.510782 0.323775 0.5 859 63.546 0.000260625 -3.54026 63.546000 Cu 0.559727 0.31343 2.47807e-16 857 63.546 0.000150365 -3.53998 63.546000 Cu 0.552141 0.335962 1 898 63.546 0.000152036 -3.53979 63.546000 Cu 0.642566 0.337793 5.88616e-17 899 63.546 0.00117672 -3.53858 63.546000 Cu 0.601087 0.325615 0.5 900 63.546 0.000324749 -3.53968 63.546000 Cu 0.650052 0.315327 1.21653e-16 902 63.546 0.000542331 -3.53945 63.546000 Cu 0.823105 0.342174 1 705 63.546 0.000365071 -3.54077 63.546000 Cu 0.781731 0.329755 0.5 706 63.546 0.000184892 -3.54005 63.546000 Cu 0.830586 0.31959 1.21203e-16 708 63.546 0.000158421 -3.54036 63.546000 Cu 0.740351 0.317393 1 903 63.546 0.000382262 -3.53912 63.546000 Cu 0.69146 0.327575 0.5 905 63.546 0.000786917 -3.53836 63.546000 Cu 0.732907 0.339882 1 936 63.546 0.000886304 -3.53864 63.546000 Cu 0.920707 0.321721 2.70007e-19 709 63.546 0.000599478 -3.54078 63.546000 Cu 0.879454 0.309392 0.5 710 63.546 0.00041712 -3.54044 63.546000 Cu 0.871874 0.331984 0.5 711 63.546 0.000709682 -3.54083 63.546000 Cu 0.969584 0.311419 0.5 715 63.546 0.000352791 -3.54041 63.546000 Cu 0.913131 0.344352 5.71215e-17 752 63.546 0.001557 -3.54102 63.546000 Cu 0.961971 0.334013 0.5 754 63.546 0.000699377 -3.54081 63.546000 Cu 0.0860782 0.370468 1 797 63.546 0.00153653 -3.53872 63.546000 Cu 0.0446813 0.358365 0.5 798 63.546 0.000374394 -3.53968 63.546000 Cu 0.0369315 0.380874 0.5 799 63.546 0.000853724 -3.53937 63.546000 Cu 0.0936529 0.348014 6.00016e-20 800 63.546 0.000745928 -3.53916 63.546000 Cu 0.135133 0.36018 0.5 803 63.546 0.00249066 -3.53829 63.546000 Cu 0.127453 0.382571 0.5 842 63.546 0.00481804 -3.53704 63.546000 Cu 0.0033072 0.346223 9.52526e-17 753 63.546 0.000256392 -3.54023 63.546000 Cu 0.176591 0.37242 1.22673e-16 844 63.546 0.00496149 -3.53709 63.546000 Cu 0.184062 0.350016 1.46764e-16 801 63.546 0.00196691 -3.538 63.546000 Cu 0.266895 0.374918 4.35012e-17 845 63.546 0.00134443 -3.53906 63.546000 Cu 0.225572 0.362379 0.5 846 63.546 0.0024774 -3.53776 63.546000 Cu 0.274359 0.352374 9.54026e-18 848 63.546 0.000409122 -3.5392 63.546000 Cu 0.315639 0.364909 0.5 851 63.546 0.00157925 -3.54005 63.546000 Cu 0.364346 0.354764 1 849 63.546 0.00240247 -3.5408 63.546000 Cu 0.356714 0.377472 1.38904e-16 890 63.546 0.00561454 -3.54164 63.546000 Cu 0.446576 0.379447 5.17514e-17 891 63.546 0.00317358 -3.54073 63.546000 Cu 0.4055 0.367174 0.5 892 63.546 0.00400821 -3.54109 63.546000 Cu 0.454354 0.356777 1 894 63.546 0.00159497 -3.54073 63.546000 Cu 0.495583 0.36895 0.5 897 63.546 0.000874039 -3.5402 63.546000 Cu 0.503226 0.346355 0.5 896 63.546 0.000408678 -3.54 63.546000 Cu 0.544587 0.358486 8.46023e-17 895 63.546 0.000331871 -3.53966 63.546000 Cu 0.593567 0.348103 0.5 901 63.546 0.000552413 -3.53927 63.546000 Cu 0.536842 0.381008 1.93145e-16 928 63.546 0.000763201 -3.53931 63.546000 Cu 0.627385 0.382632 1 929 63.546 0.00446892 -3.53706 63.546000 Cu 0.585995 0.370565 0.5 930 63.546 0.00125754 -3.53879 63.546000 Cu 0.635062 0.360232 1 932 63.546 0.00238959 -3.53842 63.546000 Cu 0.676529 0.372433 0.5 935 63.546 0.00481158 -3.53731 63.546000 Cu 0.774322 0.3523 0.5 707 63.546 0.000394674 -3.53961 63.546000 Cu 0.766885 0.374842 0.5 747 63.546 0.00133216 -3.53927 63.546000 Cu 0.815649 0.364794 3.40209e-17 748 63.546 0.00122137 -3.54049 63.546000 Cu 0.725521 0.362351 1 933 63.546 0.00226906 -3.53792 63.546000 Cu 0.684007 0.350025 0.5 934 63.546 0.00196998 -3.53789 63.546000 Cu 0.905548 0.367019 2.10006e-19 749 63.546 0.00329132 -3.54101 63.546000 Cu 0.864369 0.354627 0.5 750 63.546 0.00181626 -3.54092 63.546000 Cu 0.856755 0.377325 0.5 751 63.546 0.0047176 -3.54165 63.546000 Cu 0.954404 0.356627 0.5 755 63.546 0.00124054 -3.54079 63.546000 Cu 0.946652 0.379283 0.5 794 63.546 0.00255784 -3.54075 63.546000 Cu 0.995667 0.368804 1 796 63.546 0.000668155 -3.54034 63.546000 Cu 0.0698047 0.415265 2.63557e-16 837 63.546 0.00468539 -3.53693 63.546000 Cu 0.0287282 0.403385 0.5 838 63.546 0.00136537 -3.53891 63.546000 Cu 0.0781644 0.392884 6.00016e-20 840 63.546 0.00297928 -3.53794 63.546000 Cu 0.119385 0.404877 0.5 843 63.546 0.00973773 -3.53463 63.546000 Cu 0.160711 0.416931 3.06938e-16 882 63.546 0.0375504 -3.52703 63.546000 Cu 0.168814 0.394743 1.87805e-16 841 63.546 0.0130972 -3.53348 63.546000 Cu 0.217982 0.384812 0.5 847 63.546 0.00662264 -3.53555 63.546000 Cu 0.251212 0.420136 1.50424e-16 883 63.546 0.0132711 -3.5382 63.546000 Cu 0.210109 0.407148 0.5 884 63.546 0.0223766 -3.52957 63.546000 Cu 0.259147 0.397493 1 886 63.546 0.00366899 -3.53873 63.546000 Cu 0.307921 0.387599 0.5 888 63.546 0.00438854 -3.54106 63.546000 Cu 0.299879 0.410389 0.5 889 63.546 0.0125627 -3.53998 63.546000 Cu 0.348691 0.400296 1 887 63.546 0.0137303 -3.54165 63.546000 Cu 0.397589 0.389933 0.5 893 63.546 0.00823002 -3.54163 63.546000 Cu 0.389238 0.412809 0.5 922 63.546 0.0166788 -3.53996 63.546000 Cu 0.438365 0.402191 4.89613e-17 924 63.546 0.00596266 -3.53977 63.546000 Cu 0.487608 0.391563 0.5 926 63.546 0.00166493 -3.53994 63.546000 Cu 0.479148 0.414216 0.5 927 63.546 0.00263026 -3.53874 63.546000 Cu 0.528653 0.403527 1 925 63.546 0.00128695 -3.53874 63.546000 Cu 0.578103 0.392986 0.5 931 63.546 0.00272402 -3.5377 63.546000 Cu 0.569743 0.415371 0.5 951 63.546 0.00441092 -3.53669 63.546000 Cu 0.619351 0.404939 5.04014e-18 953 63.546 0.00947368 -3.53454 63.546000 Cu 0.660708 0.416952 0.5 956 63.546 0.0364624 -3.52712 63.546000 Cu 0.668798 0.394757 0.5 955 63.546 0.0129143 -3.53363 63.546000 Cu 0.807964 0.387477 1.55824e-16 746 63.546 0.00380887 -3.54115 63.546000 Cu 0.799923 0.410255 6.31517e-17 788 63.546 0.0112887 -3.54028 63.546000 Cu 0.710101 0.407119 1 954 63.546 0.0212201 -3.53007 63.546000 Cu 0.717978 0.384781 3.00008e-19 957 63.546 0.00659341 -3.53577 63.546000 Cu 0.759153 0.397409 0.5 958 63.546 0.00344652 -3.53899 63.546000 Cu 0.751231 0.420042 0.5 971 63.546 0.0124225 -3.5387 63.546000 Cu 0.889312 0.41262 1 789 63.546 0.0144194 -3.53999 63.546000 Cu 0.848741 0.400136 0.5 790 63.546 0.0122858 -3.54164 63.546000 Cu 0.897652 0.389763 9.69626e-17 792 63.546 0.00705327 -3.54159 63.546000 Cu 0.987701 0.391404 1 793 63.546 0.00132288 -3.53979 63.546000 Cu 0.938474 0.402005 0.5 795 63.546 0.00463431 -3.53998 63.546000 Cu 0.979236 0.414047 1 836 63.546 0.00224941 -3.53898 63.546000 Cu 0.0201159 0.425919 0.5 839 63.546 0.00219086 -3.53818 63.546000 Cu 0.0523896 0.460033 1 875 63.546 0.0188013 -3.53657 63.546000 Cu 0.0610976 0.43763 2.50297e-16 878 63.546 0.00639066 -3.53604 63.546000 Cu 0.152464 0.438952 1 879 63.546 0.119325 -3.51984 63.546000 Cu 0.110964 0.427085 0.5 880 63.546 0.0194503 -3.53253 63.546000 Cu 0.102125 0.449218 0.5 881 63.546 0.0335744 -3.53135 63.546000 Cu 0.0111897 0.448505 0.5 876 63.546 0.0051301 -3.53691 63.546000 Cu 0.143584 0.460687 2.36466e-16 912 63.546 0.48237 -3.4931 63.546000 Cu 0.202139 0.429335 0.5 885 63.546 0.0957103 -3.51768 63.546000 Cu 0.19431 0.451274 0.5 914 63.546 0.540148 -3.47325 63.546000 Cu 0.243567 0.443087 1.28403e-16 916 63.546 0.093221 -3.53003 63.546000 Cu 0.331833 0.446609 2.46277e-16 917 63.546 0.0772696 -3.52965 63.546000 Cu 0.29161 0.433382 0.5 918 63.546 0.0395734 -3.53643 63.546000 Cu 0.283116 0.456906 0.5 919 63.546 0.219465 -3.51948 63.546000 Cu 0.340322 0.423277 3.04928e-16 920 63.546 0.0318513 -3.53921 63.546000 Cu 0.429746 0.425033 1 921 63.546 0.00993261 -3.53771 63.546000 Cu 0.380554 0.435874 0.5 923 63.546 0.0323601 -3.5366 63.546000 Cu 0.371488 0.45929 0.5 943 63.546 0.0734461 -3.52563 63.546000 Cu 0.420856 0.448051 0 945 63.546 0.0161304 -3.53166 63.546000 Cu 0.470348 0.436968 0.5 947 63.546 0.00451238 -3.53651 63.546000 Cu 0.461681 0.459829 0.5 948 63.546 0.0166073 -3.53344 63.546000 Cu 0.511151 0.448666 1 946 63.546 0.00506923 -3.53643 63.546000 Cu 0.520042 0.426065 1.73165e-16 949 63.546 0.00235663 -3.53792 63.546000 Cu 0.610959 0.42715 6.00016e-20 950 63.546 0.0193142 -3.53222 63.546000 Cu 0.561034 0.43774 0.5 952 63.546 0.00657052 -3.53569 63.546000 Cu 0.552373 0.460154 0.5 964 63.546 0.0187813 -3.53605 63.546000 Cu 0.602134 0.449281 3.00008e-20 966 63.546 0.0351613 -3.53119 63.546000 Cu 0.65247 0.438976 0.5 968 63.546 0.116168 -3.52019 63.546000 Cu 0.64366 0.460716 0.5 969 63.546 0.467921 -3.49233 63.546000 Cu 0.791668 0.433242 1 787 63.546 0.037874 -3.53691 63.546000 Cu 0.783204 0.456756 1.22643e-16 828 63.546 0.213473 -3.52007 63.546000 Cu 0.831896 0.446415 0.5 830 63.546 0.0727305 -3.53011 63.546000 Cu 0.694363 0.451275 1.09263e-16 967 63.546 0.503892 -3.47528 63.546000 Cu 0.702168 0.429315 8.03122e-17 970 63.546 0.0900527 -3.51877 63.546000 Cu 0.743593 0.442976 0.5 972 63.546 0.0849549 -3.53176 63.546000 Cu 0.840386 0.423096 0.5 791 63.546 0.0286568 -3.53935 63.546000 Cu 0.871572 0.45907 5.90116e-17 829 63.546 0.0679135 -3.52559 63.546000 Cu 0.880643 0.435661 1 832 63.546 0.0282654 -3.53669 63.546000 Cu 0.97043 0.436778 1 833 63.546 0.00403846 -3.53664 63.546000 Cu 0.929828 0.424834 0.5 834 63.546 0.00846293 -3.53771 63.546000 Cu 0.920914 0.44784 0.5 835 63.546 0.0148199 -3.53186 63.546000 Cu 0.961744 0.459628 3.6001e-19 874 63.546 0.0154177 -3.53358 63.546000 Cu 0.0476485 0.482519 1 908 63.546 0.0799493 -3.54295 63.546000 Cu 0.138139 0.482569 0 909 63.546 3.23112 -3.48105 63.546000 Cu 0.0939155 0.471396 0.5 910 63.546 0.0939373 -3.53174 63.546000 Cu 0.0937132 0.493708 0.5 911 63.546 0.0973238 -3.53161 63.546000 Cu 0.00359723 0.471182 0.5 877 63.546 0.0579252 -3.53635 63.546000 Cu 0.00337582 0.493812 0.5 907 63.546 0.0602256 -3.53671 63.546000 Cu 0.18418 0.492836 0.5 937 63.546 7.50563 -3.2658 63.546000 Cu 0.236926 0.467098 2.46007e-17 913 63.546 5.75923 -3.46646 63.546000 Cu 0.18449 0.472358 0.5 915 63.546 7.49729 -3.2688 63.546000 Cu 0.236722 0.498047 3.6775e-16 938 63.546 5.74035 -3.46765 63.546000 Cu 0.322633 0.494526 3.5185e-16 939 63.546 0.334693 -3.49455 63.546000 Cu 0.270435 0.482603 0.5 940 63.546 4.54688 -3.57512 63.546000 Cu 0.322769 0.470752 2.68447e-16 941 63.546 0.342179 -3.49531 63.546000 Cu 0.412992 0.471178 1 942 63.546 0.0600093 -3.52534 63.546000 Cu 0.364631 0.482658 0.5 944 63.546 0.28416 -3.51476 63.546000 Cu 0.412825 0.49417 1.97135e-16 959 63.546 0.0611777 -3.52504 63.546000 Cu 0.45659 0.482674 0.5 961 63.546 0.113888 -3.54179 63.546000 Cu 0.503421 0.49398 1.80005e-19 960 63.546 0.0600223 -3.53645 63.546000 Cu 0.503625 0.471344 1 962 63.546 0.0562689 -3.53632 63.546000 Cu 0.638145 0.482597 0.5 468 63.546 3.20333 -3.48263 63.546000 Cu 0.593714 0.493778 4.89613e-17 489 63.546 0.0967237 -3.53187 63.546000 Cu 0.593951 0.471463 3.07928e-16 963 63.546 0.0936011 -3.53152 63.546000 Cu 0.547666 0.482645 0.5 965 63.546 0.0798723 -3.54242 63.546000 Cu 0.684126 0.492875 2.45167e-16 487 63.546 7.49342 -3.26275 63.546000 Cu 0.736773 0.497904 0.5 13 63.546 5.75095 -3.46522 63.546000 Cu 0.736894 0.466944 0.5 91 63.546 5.76244 -3.46695 63.546000 Cu 0.68465 0.472355 3.6766e-16 466 63.546 7.49281 -3.27339 63.546000 Cu 0.770509 0.482465 1 827 63.546 4.54667 -3.57487 63.546000 Cu 0.822804 0.470558 0.5 831 63.546 0.338451 -3.49616 63.546000 Cu 0.822671 0.494332 0.5 869 63.546 0.338263 -3.49402 63.546000 Cu 0.864671 0.482443 1 870 63.546 0.281768 -3.51445 63.546000 Cu 0.956585 0.482474 4.21511e-17 871 63.546 0.113391 -3.54133 63.546000 Cu 0.913022 0.47096 0.5 872 63.546 0.0593826 -3.52536 63.546000 Cu 0.912815 0.493949 0.5 873 63.546 0.0617821 -3.5246 63.546000 Cu 0.14324 0.504457 4.95613e-17 1 63.546 0.498265 -3.49268 63.546000 Cu 0.0519731 0.505022 9.00024e-20 4 63.546 0.0225098 -3.53705 63.546000 Cu 0.0606579 0.527431 1 5 63.546 0.00702634 -3.53582 63.546000 Cu 0.101675 0.515886 0.5 6 63.546 0.035673 -3.53147 63.546000 Cu 0.010714 0.5165 0.5 7 63.546 0.00610436 -3.53634 63.546000 Cu 0.152073 0.526195 2.40606e-16 8 63.546 0.124515 -3.51937 63.546000 Cu 0.110639 0.538011 0.5 11 63.546 0.0204767 -3.53216 63.546000 Cu 0.193928 0.5139 0.5 2 63.546 0.553873 -3.47173 63.546000 Cu 0.201816 0.535812 0.5 10 63.546 0.0934332 -3.51672 63.546000 Cu 0.243133 0.5221 1 92 63.546 0.0965 -3.53049 63.546000 Cu 0.282757 0.508313 0.5 93 63.546 0.222548 -3.52045 63.546000 Cu 0.291258 0.531843 0.5 97 63.546 0.0395852 -3.53693 63.546000 Cu 0.331434 0.518655 4.32222e-16 94 63.546 0.076548 -3.53036 63.546000 Cu 0.420493 0.517277 1.54504e-16 57 63.546 0.0155003 -3.53184 63.546000 Cu 0.461377 0.505511 0.5 58 63.546 0.0180298 -3.53331 63.546000 Cu 0.371197 0.506025 0.5 59 63.546 0.0706927 -3.52534 63.546000 Cu 0.470028 0.528355 0.5 63 63.546 0.00421884 -3.53628 63.546000 Cu 0.380221 0.529431 0.5 96 63.546 0.0293559 -3.53668 63.546000 Cu 0.601706 0.515966 3.40329e-16 31 63.546 0.0363836 -3.53237 63.546000 Cu 0.643226 0.504492 0.5 32 63.546 0.514533 -3.49239 63.546000 Cu 0.551999 0.505136 0.5 33 63.546 0.0223549 -3.53739 63.546000 Cu 0.652068 0.526231 0.5 37 63.546 0.127764 -3.51921 63.546000 Cu 0.510792 0.516657 1 60 63.546 0.00569972 -3.53662 63.546000 Cu 0.5607 0.527548 0.5 62 63.546 0.00736378 -3.53604 63.546000 Cu 0.610677 0.538082 1 64 63.546 0.0205692 -3.5321 63.546000 Cu 0.693912 0.513884 2.45437e-16 34 63.546 0.572346 -3.46822 63.546000 Cu 0.701813 0.535799 1 35 63.546 0.0966468 -3.51673 63.546000 Cu 0.743181 0.522016 0.5 36 63.546 0.101849 -3.52986 63.546000 Cu 0.791263 0.531717 1 38 63.546 0.0420983 -3.53595 63.546000 Cu 0.782724 0.508174 1.81055e-16 868 63.546 0.226284 -3.52017 63.546000 Cu 0.831408 0.518485 0.5 17 63.546 0.0800232 -3.52957 63.546000 Cu 0.9613 0.505322 3.50349e-16 3 63.546 0.0192342 -3.53319 63.546000 Cu 0.871136 0.505816 9.67226e-17 14 63.546 0.0769991 -3.52573 63.546000 Cu 0.880161 0.529243 3.00008e-20 15 63.546 0.0325599 -3.53673 63.546000 Cu 0.920453 0.517073 0.5 16 63.546 0.0173918 -3.53163 63.546000 Cu 0.969941 0.528177 2.86778e-16 18 63.546 0.00497012 -3.53582 63.546000 Cu 0.0197067 0.539091 0.5 20 63.546 0.0025885 -3.53737 63.546000 Cu 0.0695967 0.549782 9.00024e-20 22 63.546 0.00482888 -3.53647 63.546000 Cu 0.0784874 0.572141 2.09766e-16 23 63.546 0.00273413 -3.53803 63.546000 Cu 0.119414 0.560204 0.5 24 63.546 0.0104683 -3.53426 63.546000 Cu 0.0287072 0.561619 0.5 25 63.546 0.00155288 -3.53838 63.546000 Cu 0.16051 0.548192 1 9 63.546 0.0397733 -3.52655 63.546000 Cu 0.210083 0.557984 0.5 12 63.546 0.0219573 -3.52964 63.546000 Cu 0.169108 0.570355 1 26 63.546 0.0140129 -3.53305 63.546000 Cu 0.250922 0.545027 1 133 63.546 0.0129974 -3.53882 63.546000 Cu 0.259347 0.567645 1.22733e-16 134 63.546 0.00335856 -3.5393 63.546000 Cu 0.299787 0.554808 0.5 135 63.546 0.0126221 -3.54106 63.546000 Cu 0.340045 0.541966 1 95 63.546 0.031796 -3.53953 63.546000 Cu 0.429523 0.540275 9.78626e-17 98 63.546 0.00838053 -3.53772 63.546000 Cu 0.438537 0.563095 7.09819e-17 99 63.546 0.00470146 -3.53953 63.546000 Cu 0.479091 0.551087 0.5 100 63.546 0.00212577 -3.53834 63.546000 Cu 0.389153 0.552465 0.5 101 63.546 0.0150832 -3.54053 63.546000 Cu 0.348865 0.56493 2.55097e-16 136 63.546 0.0127549 -3.54204 63.546000 Cu 0.398077 0.575308 0.5 138 63.546 0.0071106 -3.54114 63.546000 Cu 0.48804 0.57371 0.5 105 63.546 0.00120038 -3.53958 63.546000 Cu 0.519772 0.539238 1.09923e-16 61 63.546 0.00262725 -3.53767 63.546000 Cu 0.619456 0.560272 5.07434e-16 65 63.546 0.0107462 -3.53438 63.546000 Cu 0.569624 0.549897 0.5 67 63.546 0.00531597 -3.53677 63.546000 Cu 0.528804 0.561755 3.5836e-16 102 63.546 0.00137866 -3.5385 63.546000 Cu 0.578512 0.572257 0.5 104 63.546 0.00356762 -3.53808 63.546000 Cu 0.660533 0.548221 0.5 66 63.546 0.0400114 -3.52618 63.546000 Cu 0.799804 0.554697 2.45407e-16 39 63.546 0.013711 -3.54049 63.546000 Cu 0.750952 0.544961 0.5 41 63.546 0.0135414 -3.53889 63.546000 Cu 0.710119 0.557971 2.76847e-16 68 63.546 0.0232979 -3.52951 63.546000 Cu 0.759347 0.567589 0.5 70 63.546 0.00340362 -3.5392 63.546000 Cu 0.669128 0.570372 0.5 71 63.546 0.0129479 -3.53289 63.546000 Cu 0.987996 0.573549 3.8029e-16 46 63.546 0.00145071 -3.53926 63.546000 Cu 0.97904 0.55091 7.5872e-17 19 63.546 0.00260769 -3.53798 63.546000 Cu 0.929469 0.54009 0.5 21 63.546 0.00992899 -3.53752 63.546000 Cu 0.84003 0.541814 0.5 40 63.546 0.0340387 -3.53906 63.546000 Cu 0.889113 0.552294 8.47223e-17 42 63.546 0.0168159 -3.54065 63.546000 Cu 0.898008 0.575149 2.45347e-16 43 63.546 0.00812051 -3.54127 63.546000 Cu 0.9385 0.562925 0.5 44 63.546 0.00546884 -3.53977 63.546000 Cu 0.848816 0.564783 0.5 45 63.546 0.0148812 -3.54164 63.546000 Cu 0.128127 0.582487 0.5 29 63.546 0.00549807 -3.53656 63.546000 Cu 0.0376008 0.584118 0.5 48 63.546 0.000964552 -3.53917 63.546000 Cu 0.0872049 0.594531 1 50 63.546 0.00142643 -3.53853 63.546000 Cu 0.13673 0.604831 0.5 52 63.546 0.00253897 -3.53808 63.546000 Cu 0.0463297 0.606595 0.5 53 63.546 0.000351709 -3.53926 63.546000 Cu 0.17768 0.592635 1 27 63.546 0.00509092 -3.53632 63.546000 Cu 0.218595 0.580282 0.5 28 63.546 0.00603207 -3.53529 63.546000 Cu 0.227027 0.602674 0.5 30 63.546 0.00195974 -3.53774 63.546000 Cu 0.186149 0.615006 1.22703e-16 54 63.546 0.00203525 -3.53791 63.546000 Cu 0.308443 0.57756 0.5 139 63.546 0.0044883 -3.54142 63.546000 Cu 0.267832 0.590186 1.50004e-19 173 63.546 0.00106769 -3.53942 63.546000 Cu 0.276317 0.6127 1.38904e-17 174 63.546 0.00044778 -3.53969 63.546000 Cu 0.316991 0.60021 0.5 175 63.546 0.00163482 -3.54076 63.546000 Cu 0.357578 0.587713 1.61914e-16 137 63.546 0.00517951 -3.54173 63.546000 Cu 0.447415 0.585806 3.34569e-16 140 63.546 0.00217602 -3.54039 63.546000 Cu 0.456148 0.608442 6.00916e-17 141 63.546 0.000936432 -3.5406 63.546000 Cu 0.406813 0.598028 0.5 143 63.546 0.00344031 -3.54131 63.546000 Cu 0.36618 0.610383 9.00024e-20 176 63.546 0.00235608 -3.54142 63.546000 Cu 0.496864 0.596295 0.5 142 63.546 0.000506613 -3.53967 63.546000 Cu 0.537622 0.584249 1 103 63.546 0.00104259 -3.53916 63.546000 Cu 0.628155 0.582548 2.01095e-16 106 63.546 0.00528476 -3.5369 63.546000 Cu 0.636743 0.604889 4.89613e-17 107 63.546 0.00254425 -3.538 63.546000 Cu 0.587193 0.594637 0.5 109 63.546 0.00185527 -3.53867 63.546000 Cu 0.546336 0.606729 4.60902e-16 144 63.546 0.000537483 -3.53934 63.546000 Cu 0.71858 0.580277 1 69 63.546 0.0068357 -3.53515 63.546000 Cu 0.808417 0.577456 1 72 63.546 0.00513402 -3.54097 63.546000 Cu 0.817003 0.600103 7.11919e-17 73 63.546 0.00211258 -3.54091 63.546000 Cu 0.767818 0.590128 0.5 75 63.546 0.00112589 -3.53927 63.546000 Cu 0.677668 0.592656 0.5 108 63.546 0.00485241 -3.53613 63.546000 Cu 0.727045 0.602657 1.64704e-16 110 63.546 0.00226299 -3.5373 63.546000 Cu 0.776329 0.61264 0.5 112 63.546 0.000430927 -3.54001 63.546000 Cu 0.686171 0.615014 0.5 113 63.546 0.00173667 -3.53772 63.546000 Cu 0.996833 0.596142 1 47 63.546 0.000730658 -3.53978 63.546000 Cu 0.947384 0.585636 0.5 49 63.546 0.00292641 -3.54062 63.546000 Cu 0.857551 0.587565 0.5 74 63.546 0.00671467 -3.54148 63.546000 Cu 0.906786 0.597874 4.89613e-17 76 63.546 0.00399096 -3.5413 63.546000 Cu 0.956159 0.608282 0.5 78 63.546 0.00130688 -3.54058 63.546000 Cu 0.866227 0.61024 0.5 79 63.546 0.00334534 -3.54141 63.546000 Cu 0.0957949 0.616967 1 51 63.546 0.00100717 -3.53873 63.546000 Cu 0.145266 0.627226 0.5 56 63.546 0.00103511 -3.53842 63.546000 Cu 0.00553338 0.618703 9.59426e-17 80 63.546 0.000335907 -3.53983 63.546000 Cu 0.0140651 0.641244 3.00008e-20 81 63.546 0.000178965 -3.54032 63.546000 Cu 0.0549534 0.629083 0.5 82 63.546 0.000221998 -3.53929 63.546000 Cu 0.104328 0.639407 1 84 63.546 0.000418603 -3.53911 63.546000 Cu 0.153647 0.649671 0.5 86 63.546 0.000556518 -3.53926 63.546000 Cu 0.0633728 0.651581 0.5 87 63.546 0.000179423 -3.53994 63.546000 Cu 0.194625 0.637431 1 55 63.546 0.00101646 -3.53908 63.546000 Cu 0.235514 0.625112 0.5 213 63.546 0.000772362 -3.53912 63.546000 Cu 0.284764 0.635222 1 214 63.546 0.00019114 -3.54003 63.546000 Cu 0.243886 0.64759 0.5 217 63.546 0.00047612 -3.53921 63.546000 Cu 0.325526 0.62281 0.5 179 63.546 0.000582077 -3.54068 63.546000 Cu 0.374737 0.633001 1.63714e-16 177 63.546 0.00109889 -3.54081 63.546000 Cu 0.415463 0.620676 0.5 178 63.546 0.00156964 -3.54105 63.546000 Cu 0.464764 0.63103 0 180 63.546 0.000433746 -3.5402 63.546000 Cu 0.473253 0.653588 1.92905e-17 181 63.546 0.000279378 -3.5407 63.546000 Cu 0.423949 0.643275 0.5 183 63.546 0.000751347 -3.5406 63.546000 Cu 0.333946 0.645381 0.5 216 63.546 0.000259242 -3.54023 63.546000 Cu 0.554951 0.629208 1 145 63.546 0.000331066 -3.53937 63.546000 Cu 0.595818 0.61706 0.5 146 63.546 0.0012093 -3.53907 63.546000 Cu 0.505532 0.618847 0.5 147 63.546 0.000232011 -3.5396 63.546000 Cu 0.645301 0.627276 1.76675e-16 148 63.546 0.00104528 -3.53862 63.546000 Cu 0.653768 0.649706 4.89613e-17 149 63.546 0.000506228 -3.53923 63.546000 Cu 0.604389 0.639496 0.5 151 63.546 0.000650366 -3.53952 63.546000 Cu 0.514107 0.641378 0.5 182 63.546 0.00011051 -3.54002 63.546000 Cu 0.563473 0.651693 1 184 63.546 0.000255768 -3.53998 63.546000 Cu 0.735568 0.625088 2.12856e-16 111 63.546 0.000938586 -3.53906 63.546000 Cu 0.784833 0.635164 0.5 117 63.546 0.000281958 -3.53991 63.546000 Cu 0.694694 0.637429 0.5 150 63.546 0.000710875 -3.53887 63.546000 Cu 0.743982 0.647557 9.79226e-17 152 63.546 0.000488115 -3.53935 63.546000 Cu 0.825575 0.622699 4.89613e-17 114 63.546 0.000927616 -3.54102 63.546000 Cu 0.915489 0.620526 4.29972e-16 77 63.546 0.00200097 -3.54078 63.546000 Cu 0.964744 0.630883 0.5 83 63.546 0.000621001 -3.54032 63.546000 Cu 0.834019 0.645275 4.89613e-17 115 63.546 0.000501022 -3.54024 63.546000 Cu 0.874767 0.632863 0.5 116 63.546 0.00177233 -3.54077 63.546000 Cu 0.923972 0.643133 1 118 63.546 0.00109654 -3.54044 63.546000 Cu 0.97319 0.653456 0.5 120 63.546 0.000392794 -3.54044 63.546000 Cu 0.112598 0.661882 1.22823e-16 85 63.546 0.000251261 -3.53943 63.546000 Cu 0.0223775 0.663788 1 122 63.546 0.000163164 -3.54036 63.546000 Cu 0.0303221 0.686336 1 123 63.546 2.63879e-05 -3.53947 63.546000 Cu 0.0714878 0.674102 0.5 124 63.546 0.000127015 -3.53977 63.546000 Cu 0.12054 0.684378 1.17183e-16 126 63.546 7.17305e-05 -3.54015 63.546000 Cu 0.161726 0.672145 0.5 90 63.546 0.000270526 -3.53955 63.546000 Cu 0.202872 0.659887 1 88 63.546 0.00046513 -3.53909 63.546000 Cu 0.210824 0.682363 5.60715e-17 89 63.546 0.000155344 -3.53955 63.546000 Cu 0.293028 0.657746 1 215 63.546 0.000144896 -3.53939 63.546000 Cu 0.251994 0.670073 0.5 255 63.546 0.00022032 -3.53889 63.546000 Cu 0.301018 0.680254 1 256 63.546 4.75854e-05 -3.53986 63.546000 Cu 0.383113 0.655581 2.73997e-16 218 63.546 0.000608896 -3.54046 63.546000 Cu 0.391222 0.678144 1 219 63.546 0.000247799 -3.54108 63.546000 Cu 0.432282 0.665844 0.5 220 63.546 0.000426654 -3.54104 63.546000 Cu 0.342151 0.667924 0.5 221 63.546 0.000219414 -3.54025 63.546000 Cu 0.481439 0.676139 3.7441e-17 222 63.546 0.000156775 -3.54064 63.546000 Cu 0.440331 0.688402 0.5 225 63.546 0.000254788 -3.54045 63.546000 Cu 0.350091 0.690465 0.5 258 63.546 5.7027e-05 -3.54064 63.546000 Cu 0.571696 0.674189 4.89613e-17 185 63.546 0.000300981 -3.53956 63.546000 Cu 0.612776 0.661963 0.5 186 63.546 0.000566178 -3.53924 63.546000 Cu 0.522504 0.663908 0.5 187 63.546 0.000183738 -3.54035 63.546000 Cu 0.620714 0.684447 0.5 191 63.546 0.000169791 -3.53956 63.546000 Cu 0.530527 0.686431 0.5 224 63.546 0.000107271 -3.54002 63.546000 Cu 0.661914 0.672171 1.32364e-16 188 63.546 0.000298439 -3.53926 63.546000 Cu 0.752098 0.670057 1.33894e-16 153 63.546 0.00037279 -3.53908 63.546000 Cu 0.793133 0.657687 0.5 154 63.546 0.000248625 -3.53951 63.546000 Cu 0.703017 0.659885 0.5 155 63.546 0.000463273 -3.5393 63.546000 Cu 0.801057 0.680211 0.5 159 63.546 4.60771e-05 -3.53945 63.546000 Cu 0.710939 0.682375 0.5 190 63.546 0.000189212 -3.53962 63.546000 Cu 0.932231 0.665722 4.89613e-17 119 63.546 0.000597227 -3.54093 63.546000 Cu 0.883139 0.655458 0.5 121 63.546 0.00104699 -3.54065 63.546000 Cu 0.981315 0.67602 0.5 125 63.546 0.000241896 -3.54042 63.546000 Cu 0.842154 0.667834 7.65021e-17 156 63.546 0.000298184 -3.54003 63.546000 Cu 0.850036 0.690388 1 157 63.546 0.000123765 -3.54044 63.546000 Cu 0.891149 0.678035 0.5 158 63.546 0.000476842 -3.54099 63.546000 Cu 0.940175 0.688291 4.89613e-17 160 63.546 0.000306258 -3.54047 63.546000 Cu 0.128432 0.706906 1 127 63.546 9.54865e-05 -3.54039 63.546000 Cu 0.0793465 0.696625 0.5 129 63.546 5.48093e-05 -3.53998 63.546000 Cu 0.0382342 0.708872 1 164 63.546 3.30378e-05 -3.54022 63.546000 Cu 0.0872881 0.719165 0.5 166 63.546 3.66525e-05 -3.54033 63.546000 Cu 0.136352 0.729439 1 168 63.546 0.000150924 -3.53955 63.546000 Cu 0.169626 0.694642 0.5 128 63.546 0.00014511 -3.54024 63.546000 Cu 0.218644 0.704871 1 130 63.546 7.88e-05 -3.53951 63.546000 Cu 0.226552 0.727375 1 131 63.546 3.56148e-05 -3.5397 63.546000 Cu 0.177504 0.717154 0.5 132 63.546 6.18573e-05 -3.53931 63.546000 Cu 0.308879 0.702777 3.5611e-17 257 63.546 1.26898e-05 -3.54028 63.546000 Cu 0.259861 0.692572 0.5 259 63.546 3.58036e-05 -3.53984 63.546000 Cu 0.267729 0.715087 0.5 295 63.546 2.7631e-05 -3.54004 63.546000 Cu 0.316808 0.725306 1 296 63.546 4.55937e-05 -3.53985 63.546000 Cu 0.399117 0.700685 1 260 63.546 0.000178434 -3.54023 63.546000 Cu 0.406955 0.723233 8.52023e-18 261 63.546 0.000126237 -3.53991 63.546000 Cu 0.448074 0.710948 0.5 262 63.546 0.000157309 -3.53986 63.546000 Cu 0.357914 0.712991 0.5 263 63.546 8.7861e-05 -3.53985 63.546000 Cu 0.489308 0.698685 1 223 63.546 2.47178e-05 -3.53987 63.546000 Cu 0.497099 0.721234 1 264 63.546 9.96738e-05 -3.54031 63.546000 Cu 0.579491 0.696719 3.00008e-20 226 63.546 0.000116719 -3.53997 63.546000 Cu 0.587299 0.719248 4.89613e-17 227 63.546 0.000133436 -3.54017 63.546000 Cu 0.628484 0.70697 0.5 228 63.546 0.00014101 -3.53999 63.546000 Cu 0.538257 0.708974 0.5 229 63.546 8.43439e-05 -3.54013 63.546000 Cu 0.636389 0.729492 0.5 233 63.546 0.000119882 -3.53982 63.546000 Cu 0.669671 0.694676 1 189 63.546 9.31562e-05 -3.54003 63.546000 Cu 0.759889 0.692567 1 192 63.546 0.000128162 -3.53961 63.546000 Cu 0.767721 0.715075 4.11611e-17 193 63.546 8.16367e-05 -3.53955 63.546000 Cu 0.808868 0.70274 0.5 194 63.546 4.83158e-05 -3.53988 63.546000 Cu 0.71867 0.704881 0.5 195 63.546 7.70562e-05 -3.53971 63.546000 Cu 0.816844 0.725247 0.5 199 63.546 4.83566e-05 -3.53966 63.546000 Cu 0.677521 0.717192 4.33392e-16 230 63.546 8.70187e-05 -3.53972 63.546000 Cu 0.726583 0.727385 0.5 232 63.546 4.63635e-05 -3.53957 63.546000 Cu 0.989185 0.698573 0.5 162 63.546 0.000124317 -3.53982 63.546000 Cu 0.997117 0.721144 0.5 167 63.546 2.62212e-05 -3.54063 63.546000 Cu 0.94808 0.710846 1 161 63.546 0.000203276 -3.54037 63.546000 Cu 0.899045 0.700597 0.5 163 63.546 0.00024304 -3.5403 63.546000 Cu 0.857929 0.712919 4.89613e-17 196 63.546 0.000154735 -3.5398 63.546000 Cu 0.907012 0.723143 0.5 198 63.546 0.000203975 -3.54018 63.546000 Cu 0.0462047 0.731435 1 165 63.546 1.57361e-05 -3.54037 63.546000 Cu 0.144416 0.75197 2.51437e-16 169 63.546 0.000110966 -3.53974 63.546000 Cu 0.0952659 0.741715 0.5 171 63.546 0.000101571 -3.54003 63.546000 Cu 0.00512026 0.74371 0.5 202 63.546 3.45267e-05 -3.54046 63.546000 Cu 0.0542666 0.754002 1 204 63.546 6.65389e-05 -3.54055 63.546000 Cu 0.103393 0.764267 0.5 206 63.546 0.000147649 -3.54002 63.546000 Cu 0.0132584 0.76627 0.5 207 63.546 2.89886e-05 -3.5404 63.546000 Cu 0.18541 0.739663 0.5 170 63.546 0.000146942 -3.53964 63.546000 Cu 0.193553 0.762176 0.5 172 63.546 4.41684e-05 -3.53997 63.546000 Cu 0.275664 0.737596 0.5 299 63.546 6.93179e-05 -3.53971 63.546000 Cu 0.234634 0.749878 1 335 63.546 2.85706e-05 -3.53978 63.546000 Cu 0.283792 0.760088 0.5 337 63.546 6.35031e-05 -3.53946 63.546000 Cu 0.324843 0.74781 1 297 63.546 2.57826e-05 -3.53914 63.546000 Cu 0.456045 0.733498 0.5 267 63.546 7.75173e-05 -3.54066 63.546000 Cu 0.365872 0.735518 0.5 298 63.546 0.000141741 -3.53951 63.546000 Cu 0.415001 0.745776 1 300 63.546 8.15593e-05 -3.53989 63.546000 Cu 0.423119 0.768314 1.66534e-16 301 63.546 6.92093e-05 -3.54006 63.546000 Cu 0.464146 0.756059 0.5 302 63.546 1.66543e-05 -3.54026 63.546000 Cu 0.374011 0.758033 0.5 303 63.546 0.000234076 -3.53941 63.546000 Cu 0.505164 0.743801 1 265 63.546 4.42344e-05 -3.54096 63.546000 Cu 0.546214 0.73152 0.5 266 63.546 7.05282e-05 -3.54055 63.546000 Cu 0.595288 0.741786 1 268 63.546 0.00014352 -3.54001 63.546000 Cu 0.603389 0.764335 1 269 63.546 0.000161137 -3.53982 63.546000 Cu 0.644424 0.752012 0.5 270 63.546 6.87795e-05 -3.53966 63.546000 Cu 0.554305 0.754089 0.5 271 63.546 0.000221743 -3.54019 63.546000 Cu 0.513271 0.766366 1 304 63.546 0.000123194 -3.54011 63.546000 Cu 0.685489 0.739703 1 231 63.546 6.78445e-05 -3.53967 63.546000 Cu 0.775721 0.737567 1 234 63.546 1.08563e-05 -3.53975 63.546000 Cu 0.783762 0.760067 1 235 63.546 0.000102902 -3.53965 63.546000 Cu 0.734619 0.749886 0.5 237 63.546 1.51477e-05 -3.53974 63.546000 Cu 0.693547 0.762215 1 272 63.546 6.37855e-05 -3.53981 63.546000 Cu 0.824852 0.747761 0.5 236 63.546 9.38219e-05 -3.53981 63.546000 Cu 0.865922 0.735444 1 197 63.546 0.000229106 -3.53995 63.546000 Cu 0.956067 0.733417 1 200 63.546 4.72712e-05 -3.54043 63.546000 Cu 0.964093 0.755983 1 201 63.546 2.86587e-05 -3.5402 63.546000 Cu 0.914982 0.745704 0.5 203 63.546 9.91591e-05 -3.54006 63.546000 Cu 0.87397 0.757981 1 238 63.546 0.00017874 -3.53977 63.546000 Cu 0.923109 0.76825 0.5 240 63.546 4.79309e-05 -3.53983 63.546000 Cu 0.0623478 0.776569 1 205 63.546 0.000172429 -3.54021 63.546000 Cu 0.152454 0.774498 1 208 63.546 7.28817e-05 -3.53982 63.546000 Cu 0.11143 0.786836 0.5 211 63.546 0.000255694 -3.54031 63.546000 Cu 0.0213498 0.78885 0.5 244 63.546 0.000130882 -3.54035 63.546000 Cu 0.0703803 0.799159 1 246 63.546 0.00039899 -3.54078 63.546000 Cu 0.160497 0.797054 1 209 63.546 0.000125168 -3.54066 63.546000 Cu 0.201538 0.784704 0.5 210 63.546 5.19596e-05 -3.54003 63.546000 Cu 0.209494 0.807241 0.5 212 63.546 0.000122732 -3.53952 63.546000 Cu 0.24266 0.772384 1 336 63.546 4.57184e-05 -3.54006 63.546000 Cu 0.291752 0.782584 0.5 341 63.546 0.000158759 -3.53938 63.546000 Cu 0.250641 0.794895 1 377 63.546 0.000131759 -3.53904 63.546000 Cu 0.299669 0.805074 0.5 379 63.546 0.000428454 -3.53909 63.546000 Cu 0.332914 0.770313 4.89613e-17 338 63.546 9.32653e-05 -3.53944 63.546000 Cu 0.472244 0.778618 0.5 307 63.546 4.01483e-05 -3.54035 63.546000 Cu 0.340889 0.792802 1 339 63.546 0.000385936 -3.53949 63.546000 Cu 0.382014 0.780553 0.5 340 63.546 0.000232767 -3.53998 63.546000 Cu 0.431163 0.790858 1 342 63.546 7.34661e-05 -3.54014 63.546000 Cu 0.480235 0.801176 0.5 344 63.546 0.000105357 -3.53998 63.546000 Cu 0.389989 0.803069 0.5 345 63.546 0.000247079 -3.54 63.546000 Cu 0.652573 0.774543 0.5 275 63.546 8.76314e-05 -3.54023 63.546000 Cu 0.521332 0.788928 4.89613e-17 305 63.546 0.000201949 -3.54031 63.546000 Cu 0.562404 0.776649 0.5 306 63.546 0.000337951 -3.54043 63.546000 Cu 0.611529 0.786888 3.30309e-17 308 63.546 0.000283457 -3.54096 63.546000 Cu 0.57038 0.799219 0.5 311 63.546 0.000466129 -3.54064 63.546000 Cu 0.660533 0.797099 0.5 310 63.546 9.45448e-05 -3.54043 63.546000 Cu 0.701687 0.78474 4.01411e-17 273 63.546 0.000150154 -3.54021 63.546000 Cu 0.742761 0.772393 0.5 274 63.546 9.11223e-05 -3.53989 63.546000 Cu 0.791876 0.782565 1 276 63.546 0.000433963 -3.53913 63.546000 Cu 0.799652 0.805062 9.42625e-17 277 63.546 0.000738038 -3.53899 63.546000 Cu 0.750679 0.794915 0.5 279 63.546 6.08074e-05 -3.53918 63.546000 Cu 0.709491 0.807277 1 312 63.546 0.000198795 -3.53955 63.546000 Cu 0.832953 0.770276 0.5 241 63.546 0.000161019 -3.53923 63.546000 Cu 0.882084 0.780513 1 239 63.546 0.000234805 -3.53955 63.546000 Cu 0.97224 0.778543 1.22553e-16 242 63.546 3.67316e-05 -3.54013 63.546000 Cu 0.980242 0.801107 1 243 63.546 6.43404e-05 -3.54048 63.546000 Cu 0.931178 0.790798 0.5 245 63.546 9.38741e-05 -3.54031 63.546000 Cu 0.840908 0.792771 0.5 278 63.546 0.000497369 -3.53933 63.546000 Cu 0.889967 0.803033 1 280 63.546 0.000228779 -3.54002 63.546000 Cu 0.0783571 0.821771 1 247 63.546 0.000859481 -3.54067 63.546000 Cu 0.119371 0.809429 0.5 248 63.546 0.000551834 -3.54131 63.546000 Cu 0.0292915 0.811447 0.5 249 63.546 0.000346699 -3.54037 63.546000 Cu 0.127456 0.832048 0.5 253 63.546 0.00121912 -3.54055 63.546000 Cu 0.0374243 0.834055 0.5 286 63.546 0.000694451 -3.54043 63.546000 Cu 0.0864745 0.844408 4.89613e-17 288 63.546 0.00176938 -3.54085 63.546000 Cu 0.168392 0.819637 4.89613e-17 250 63.546 0.000342129 -3.54059 63.546000 Cu 0.176415 0.842229 1 251 63.546 0.000672483 -3.54038 63.546000 Cu 0.217463 0.829782 0.5 252 63.546 0.000181334 -3.53961 63.546000 Cu 0.258473 0.817385 1 378 63.546 0.000683 -3.53869 63.546000 Cu 0.307629 0.827553 0.5 383 63.546 0.000886818 -3.5385 63.546000 Cu 0.26652 0.839877 1 415 63.546 0.00123313 -3.53888 63.546000 Cu 0.439091 0.813386 0 343 63.546 0.000104831 -3.53988 63.546000 Cu 0.348751 0.81529 1 380 63.546 0.000679482 -3.53956 63.546000 Cu 0.356796 0.837749 6.00016e-20 381 63.546 0.00124167 -3.53813 63.546000 Cu 0.397934 0.825564 0.5 382 63.546 0.00039203 -3.53925 63.546000 Cu 0.4472 0.835887 1 384 63.546 0.000226868 -3.53955 63.546000 Cu 0.48828 0.823729 0.5 349 63.546 0.000248186 -3.53991 63.546000 Cu 0.61941 0.809467 1 309 63.546 0.000449758 -3.54066 63.546000 Cu 0.52932 0.811502 1 346 63.546 0.000433421 -3.54014 63.546000 Cu 0.537484 0.83408 1.24923e-16 347 63.546 0.000796365 -3.54035 63.546000 Cu 0.578436 0.821808 0.5 348 63.546 0.000746325 -3.54029 63.546000 Cu 0.627526 0.832081 1 350 63.546 0.00114649 -3.54071 63.546000 Cu 0.586534 0.844435 0.5 353 63.546 0.00171805 -3.54105 63.546000 Cu 0.717538 0.829828 2.43307e-17 313 63.546 0.000259243 -3.53995 63.546000 Cu 0.75854 0.817411 0.5 314 63.546 0.000379191 -3.53906 63.546000 Cu 0.668449 0.819679 0.5 315 63.546 0.000388487 -3.54069 63.546000 Cu 0.807713 0.827543 1 316 63.546 0.00119053 -3.5385 63.546000 Cu 0.766605 0.8399 0.5 319 63.546 0.00103509 -3.53837 63.546000 Cu 0.676472 0.842278 0.5 352 63.546 0.0010322 -3.54093 63.546000 Cu 0.988277 0.823676 1 284 63.546 0.000137351 -3.54 63.546000 Cu 0.898006 0.82553 4.89613e-17 281 63.546 0.000458909 -3.53957 63.546000 Cu 0.939108 0.813338 0.5 282 63.546 0.000134343 -3.54009 63.546000 Cu 0.848793 0.815256 0.5 283 63.546 0.00104367 -3.53924 63.546000 Cu 0.947269 0.835875 0.5 287 63.546 0.000332336 -3.53974 63.546000 Cu 0.856893 0.837729 0.5 318 63.546 0.00174849 -3.53865 63.546000 Cu 0.094297 0.867104 2.10426e-16 289 63.546 0.0037245 -3.54117 63.546000 Cu 0.135355 0.854696 0.5 290 63.546 0.00224289 -3.54084 63.546000 Cu 0.0454108 0.856698 0.5 291 63.546 0.00167238 -3.54113 63.546000 Cu 0.143164 0.877417 0.5 294 63.546 0.00548473 -3.54177 63.546000 Cu 0.00423871 0.868871 1 324 63.546 0.000924828 -3.54038 63.546000 Cu 0.053346 0.879381 0.5 326 63.546 0.00328975 -3.54084 63.546000 Cu 0.225316 0.852332 0.5 254 63.546 0.000433374 -3.5398 63.546000 Cu 0.184134 0.864863 3.5551e-17 292 63.546 0.00167888 -3.54056 63.546000 Cu 0.274207 0.862353 1 416 63.546 0.00240859 -3.53794 63.546000 Cu 0.315574 0.849998 0.5 417 63.546 0.00217063 -3.53792 63.546000 Cu 0.232969 0.874881 0.5 445 63.546 0.00141755 -3.53914 63.546000 Cu 0.323277 0.872399 0.5 421 63.546 0.00525248 -3.53723 63.546000 Cu 0.455153 0.858392 1 385 63.546 0.000473583 -3.53991 63.546000 Cu 0.40599 0.848027 0.5 387 63.546 0.000861179 -3.53912 63.546000 Cu 0.364656 0.860175 4.89613e-17 418 63.546 0.00260158 -3.53852 63.546000 Cu 0.372556 0.882557 2.58697e-16 419 63.546 0.00535602 -3.53691 63.546000 Cu 0.413861 0.870478 0.5 420 63.546 0.00172924 -3.53888 63.546000 Cu 0.463102 0.880915 9.63026e-18 422 63.546 0.00098952 -3.53876 63.546000 Cu 0.496399 0.846276 0.5 386 63.546 0.000524282 -3.54032 63.546000 Cu 0.635399 0.854746 5.58015e-18 351 63.546 0.00292335 -3.54165 63.546000 Cu 0.545449 0.856709 1 388 63.546 0.00156141 -3.54104 63.546000 Cu 0.55334 0.879389 1 389 63.546 0.00303351 -3.54101 63.546000 Cu 0.594348 0.867137 0.5 390 63.546 0.00406713 -3.54167 63.546000 Cu 0.504251 0.868861 0.5 391 63.546 0.00064712 -3.54042 63.546000 Cu 0.643221 0.877462 1 392 63.546 0.00707872 -3.54144 63.546000 Cu 0.815648 0.849984 1 317 63.546 0.00290213 -3.53808 63.546000 Cu 0.725377 0.852368 1 354 63.546 0.000516335 -3.53927 63.546000 Cu 0.733052 0.874889 1 355 63.546 0.00128843 -3.53835 63.546000 Cu 0.774281 0.862357 0.5 356 63.546 0.00262039 -3.53737 63.546000 Cu 0.684215 0.864913 0.5 357 63.546 0.00242857 -3.54026 63.546000 Cu 0.82337 0.872389 1 358 63.546 0.00565565 -3.53727 63.546000 Cu 0.996392 0.846262 3.17709e-17 285 63.546 0.000502912 -3.54035 63.546000 Cu 0.906076 0.848015 4.89613e-17 320 63.546 0.000959346 -3.53921 63.546000 Cu 0.913874 0.870479 1.69355e-16 321 63.546 0.00167696 -3.53861 63.546000 Cu 0.95517 0.858398 0.5 322 63.546 0.000387991 -3.53959 63.546000 Cu 0.864719 0.860165 0.5 323 63.546 0.00294726 -3.53875 63.546000 Cu 0.963104 0.88092 0.5 327 63.546 0.000916944 -3.53925 63.546000 Cu 0.872587 0.882557 0.5 360 63.546 0.00534579 -3.53682 63.546000 Cu 0.0124124 0.891501 1 325 63.546 0.00178592 -3.53957 63.546000 Cu 0.102387 0.889884 1 328 63.546 0.00854045 -3.54155 63.546000 Cu 0.110917 0.912769 2.54707e-17 329 63.546 0.0178778 -3.5405 63.546000 Cu 0.151371 0.900247 0.5 330 63.546 0.0137286 -3.54157 63.546000 Cu 0.0616939 0.902134 0.5 331 63.546 0.00614294 -3.53989 63.546000 Cu 0.0209593 0.914155 1.36564e-16 366 63.546 0.00242301 -3.5386 63.546000 Cu 0.192014 0.887557 1 293 63.546 0.00460268 -3.5409 63.546000 Cu 0.200237 0.910336 4.89613e-17 332 63.546 0.01208 -3.54001 63.546000 Cu 0.281966 0.884776 1.15083e-16 446 63.546 0.00699671 -3.53571 63.546000 Cu 0.290014 0.907105 1 447 63.546 0.0221946 -3.52953 63.546000 Cu 0.240898 0.897449 0.5 449 63.546 0.00359912 -3.53871 63.546000 Cu 0.248976 0.92008 0.5 469 63.546 0.0127982 -3.53849 63.546000 Cu 0.331247 0.89471 0.5 448 63.546 0.0136813 -3.5333 63.546000 Cu 0.471434 0.903424 1 423 63.546 0.00154697 -3.53862 63.546000 Cu 0.42196 0.892886 0.5 425 63.546 0.00355248 -3.5371 63.546000 Cu 0.380759 0.904842 1 450 63.546 0.0117792 -3.53474 63.546000 Cu 0.430402 0.915276 0.5 452 63.546 0.00505746 -3.53738 63.546000 Cu 0.339467 0.916887 0.5 453 63.546 0.0397891 -3.52701 63.546000 Cu 0.651399 0.900256 1 393 63.546 0.0145557 -3.5415 63.546000 Cu 0.602401 0.8899 0.5 395 63.546 0.00911513 -3.54148 63.546000 Cu 0.512403 0.891484 0.5 424 63.546 0.00151012 -3.53937 63.546000 Cu 0.561691 0.902134 1 426 63.546 0.00615119 -3.54008 63.546000 Cu 0.610887 0.912768 0.5 428 63.546 0.0183103 -3.54024 63.546000 Cu 0.520964 0.914146 0.5 429 63.546 0.00237019 -3.53874 63.546000 Cu 0.782054 0.884764 0.5 361 63.546 0.00756202 -3.53581 63.546000 Cu 0.692061 0.887572 0.5 394 63.546 0.0049449 -3.54026 63.546000 Cu 0.740973 0.897438 2.26776e-16 396 63.546 0.00324605 -3.53912 63.546000 Cu 0.749019 0.920075 1 397 63.546 0.0120873 -3.53875 63.546000 Cu 0.790074 0.907098 0.5 398 63.546 0.0230064 -3.52988 63.546000 Cu 0.700271 0.910329 0.5 399 63.546 0.01168 -3.54064 63.546000 Cu 0.831302 0.894712 1.67105e-17 359 63.546 0.0135794 -3.53321 63.546000 Cu 0.921936 0.892905 4.13711e-17 362 63.546 0.00322156 -3.53756 63.546000 Cu 0.930414 0.915297 1 363 63.546 0.00467707 -3.53706 63.546000 Cu 0.97143 0.903442 0.5 364 63.546 0.00136616 -3.53844 63.546000 Cu 0.880776 0.904856 0.5 365 63.546 0.0113752 -3.53461 63.546000 Cu 0.83947 0.916899 1 400 63.546 0.0394104 -3.52717 63.546000 Cu 0.159854 0.923239 0.5 334 63.546 0.0333739 -3.539 63.546000 Cu 0.0297828 0.936901 3.00008e-20 367 63.546 0.00415515 -3.53651 63.546000 Cu 0.0704174 0.924984 0.5 368 63.546 0.0102507 -3.53781 63.546000 Cu 0.119626 0.935823 1 370 63.546 0.0330638 -3.53647 63.546000 Cu 0.128582 0.959221 1 371 63.546 0.0740112 -3.52536 63.546000 Cu 0.0792727 0.947992 0.5 373 63.546 0.0165185 -3.53192 63.546000 Cu 0.0383523 0.959755 1.80005e-19 408 63.546 0.0159825 -3.53395 63.546000 Cu 0.208577 0.933324 3.91511e-17 333 63.546 0.0384758 -3.53644 63.546000 Cu 0.16832 0.946551 0.5 372 63.546 0.0780869 -3.52998 63.546000 Cu 0.217013 0.956831 1 374 63.546 0.216019 -3.51971 63.546000 Cu 0.298094 0.929289 2.49967e-16 470 63.546 0.0940892 -3.5178 63.546000 Cu 0.30589 0.951234 4.89613e-17 471 63.546 0.531348 -3.47325 63.546000 Cu 0.256668 0.943012 0.5 473 63.546 0.0883207 -3.53114 63.546000 Cu 0.389235 0.927066 2.09886e-16 451 63.546 0.0211281 -3.53264 63.546000 Cu 0.480121 0.925978 1 454 63.546 0.0022332 -3.53822 63.546000 Cu 0.439076 0.937651 0.5 457 63.546 0.00676075 -3.5357 63.546000 Cu 0.347755 0.938909 0.5 472 63.546 0.122941 -3.51984 63.546000 Cu 0.398045 0.949209 1.70585e-16 474 63.546 0.0358784 -3.53119 63.546000 Cu 0.447655 0.960062 0.5 476 63.546 0.0190515 -3.53631 63.546000 Cu 0.488931 0.948577 1 455 63.546 0.00484526 -3.53664 63.546000 Cu 0.356482 0.96066 0.5 477 63.546 0.485372 -3.49302 63.546000 Cu 0.659856 0.92322 1 430 63.546 0.0323691 -3.53895 63.546000 Cu 0.570409 0.92497 1.44994e-16 427 63.546 0.0100785 -3.53741 63.546000 Cu 0.619639 0.935792 0.5 433 63.546 0.0319177 -3.53616 63.546000 Cu 0.529776 0.936888 0.5 456 63.546 0.00426854 -3.53681 63.546000 Cu 0.579263 0.94796 2.27406e-16 458 63.546 0.0164257 -3.53231 63.546000 Cu 0.628591 0.959169 0.5 460 63.546 0.0708251 -3.52589 63.546000 Cu 0.538329 0.959727 0.5 461 63.546 0.0154819 -3.53409 63.546000 Cu 0.798086 0.929295 0.5 403 63.546 0.0935706 -3.51798 63.546000 Cu 0.668336 0.946506 1 431 63.546 0.0743302 -3.5299 63.546000 Cu 0.708592 0.933306 0.5 432 63.546 0.0381621 -3.53604 63.546000 Cu 0.756633 0.943009 4.89613e-17 434 63.546 0.0895981 -3.53092 63.546000 Cu 0.805851 0.951249 0.5 436 63.546 0.529773 -3.47445 63.546000 Cu 0.717027 0.956821 0.5 437 63.546 0.217396 -3.52031 63.546000 Cu 0.988971 0.948599 0.5 406 63.546 0.00526835 -3.53671 63.546000 Cu 0.980123 0.925993 0.5 369 63.546 0.00229758 -3.53775 63.546000 Cu 0.847759 0.938925 4.89613e-17 401 63.546 0.121816 -3.52032 63.546000 Cu 0.889245 0.927086 0.5 402 63.546 0.0203941 -3.53279 63.546000 Cu 0.93911 0.937668 4.24511e-17 404 63.546 0.00688311 -3.53558 63.546000 Cu 0.947676 0.960086 1 405 63.546 0.0191903 -3.5365 63.546000 Cu 0.898058 0.949232 0.5 407 63.546 0.0354406 -3.53135 63.546000 Cu 0.856509 0.960678 9.18025e-17 438 63.546 0.486062 -3.49325 63.546000 Cu 0.0433122 0.982594 1 409 63.546 0.111717 -3.54178 63.546000 Cu 0.0869969 0.971094 0.5 410 63.546 0.0591793 -3.52489 63.546000 Cu 0.135264 0.982545 9.00024e-20 412 63.546 0.277467 -3.51449 63.546000 Cu 0.0870521 0.994073 0.5 414 63.546 0.0598001 -3.52505 63.546000 Cu 0.26312 0.998002 0.5 521 63.546 5.75617 -3.4659 63.546000 Cu 0.229525 0.982517 1.99205e-17 375 63.546 4.56366 -3.57541 63.546000 Cu 0.177233 0.97065 0.5 376 63.546 0.336459 -3.4954 63.546000 Cu 0.177264 0.994415 0.5 413 63.546 0.345551 -3.49488 63.546000 Cu 0.263118 0.967026 0.5 483 63.546 5.76328 -3.46659 63.546000 Cu 0.315529 0.972309 4.89613e-17 484 63.546 7.49299 -3.26842 63.546000 Cu 0.315607 0.992803 1 485 63.546 7.50034 -3.26628 63.546000 Cu 0.406059 0.971396 1 475 63.546 0.0947063 -3.53182 63.546000 Cu 0.452228 0.982561 0.5 481 63.546 0.0789712 -3.54318 63.546000 Cu 0.36173 0.982552 0.5 486 63.546 3.24031 -3.48171 63.546000 Cu 0.40609 0.993715 1 488 63.546 0.0932258 -3.53205 63.546000 Cu 0.49635 0.971257 2.10006e-19 478 63.546 0.0565266 -3.53657 63.546000 Cu 0.496434 0.993876 1 479 63.546 0.0580312 -3.53681 63.546000 Cu 0.587005 0.971052 1 459 63.546 0.0593475 -3.52476 63.546000 Cu 0.635259 0.982497 0.5 465 63.546 0.277107 -3.51455 63.546000 Cu 0.543356 0.982547 0.5 480 63.546 0.114645 -3.541 63.546000 Cu 0.587068 0.994015 1 482 63.546 0.0609806 -3.52451 63.546000 Cu 0.763137 0.997995 1 490 63.546 5.75943 -3.46615 63.546000 Cu 0.763159 0.96704 1 435 63.546 5.74628 -3.4665 63.546000 Cu 0.81554 0.972333 0.5 441 63.546 7.50446 -3.26881 63.546000 Cu 0.677256 0.970615 1.74095e-16 462 63.546 0.33296 -3.49561 63.546000 Cu 0.677255 0.994392 1.50004e-19 463 63.546 0.341929 -3.4953 63.546000 Cu 0.729553 0.982516 0.5 464 63.546 4.56022 -3.57518 63.546000 Cu 0.815678 0.992825 0.5 467 63.546 7.50108 -3.26568 63.546000 Cu 0.996357 0.97129 0.5 411 63.546 0.0563466 -3.53681 63.546000 Cu 0.99643 0.993929 0.5 443 63.546 0.0577762 -3.53669 63.546000 Cu 0.861779 0.982575 1 439 63.546 3.23645 -3.48188 63.546000 Cu 0.90608 0.971425 0.5 440 63.546 0.0943793 -3.53189 63.546000 Cu 0.952242 0.982599 1.24143e-16 442 63.546 0.0784023 -3.54337 63.546000 Cu 0.906131 0.993758 0.5 444 63.546 0.0939784 -3.5319