Number of particles = 1288 A = 1 Angstrom (basic length-scale) H0(1,1) = 32.5467 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 92.1574 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.11069 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 0.0168161 0.0414547 0.25 911 63.546 0.00406587 -3.53405 63.546000 Cu 0.0647922 0.018776 0.25 912 63.546 6.18531 -3.53763 63.546000 Cu 0.0168161 0.0414547 0.75 915 63.546 0.00406587 -3.53405 63.546000 Cu 0.0647922 0.018776 0.75 916 63.546 6.18531 -3.53763 63.546000 Cu 0.0844463 0.0417581 1.72091e-16 988 63.546 0.003732 -3.53246 63.546000 Cu 0.0844463 0.0417581 0.5 989 63.546 0.003732 -3.53246 63.546000 Cu 0.200102 0.0190468 0.25 653 63.546 6.26426 -3.51797 63.546000 Cu 0.200102 0.0190468 0.75 655 63.546 6.26426 -3.51797 63.546000 Cu 0.132447 0.0189025 1 987 63.546 6.2033 -3.53294 63.546000 Cu 0.132447 0.0189025 0.5 995 63.546 6.2033 -3.53294 63.546000 Cu 0.219184 0.0427353 1 657 63.546 0.0341889 -3.52414 63.546000 Cu 0.219184 0.0427353 0.5 666 63.546 0.0341889 -3.52414 63.546000 Cu 0.15193 0.0421219 0.25 991 63.546 0.0048431 -3.52769 63.546000 Cu 0.15193 0.0421219 0.75 996 63.546 0.0048431 -3.52769 63.546000 Cu 0.267434 0.0196028 1 662 63.546 6.60513 -3.47118 63.546000 Cu 0.267434 0.0196028 0.5 663 63.546 6.60513 -3.47118 63.546000 Cu 0.333683 0.0236247 0.25 665 63.546 4.74548 -3.47646 63.546000 Cu 0.333683 0.0236247 0.75 671 63.546 4.74548 -3.47646 63.546000 Cu 0.389611 0.00708458 0.25 669 63.546 5.92069 -3.34578 63.546000 Cu 0.389611 0.00708458 0.75 672 63.546 5.92069 -3.34578 63.546000 Cu 0.40659 0.0289588 1 683 63.546 0.517803 -3.46745 63.546000 Cu 0.455356 0.00710933 1 691 63.546 0.143961 -3.51426 63.546000 Cu 0.455356 0.00710933 0.5 692 63.546 0.143961 -3.51426 63.546000 Cu 0.474706 0.0296276 0.25 693 63.546 0.0208398 -3.54477 63.546000 Cu 0.40659 0.0289588 0.5 695 63.546 0.517803 -3.46745 63.546000 Cu 0.474706 0.0296276 0.75 697 63.546 0.0208398 -3.54477 63.546000 Cu 0.522361 0.00717262 0.25 694 63.546 0.0773285 -3.53167 63.546000 Cu 0.522361 0.00717262 0.75 698 63.546 0.0773285 -3.53167 63.546000 Cu 0.590046 0.00717654 1 725 63.546 0.0821176 -3.53512 63.546000 Cu 0.542585 0.0299721 3.4537e-16 726 63.546 0.0209275 -3.54051 63.546000 Cu 0.542585 0.0299721 0.5 727 63.546 0.0209275 -3.54051 63.546000 Cu 0.610427 0.030234 0.25 729 63.546 0.0289447 -3.5246 63.546000 Cu 0.590046 0.00717654 0.5 734 63.546 0.0821176 -3.53512 63.546000 Cu 0.610427 0.030234 0.75 735 63.546 0.0289447 -3.5246 63.546000 Cu 0.658513 0.00709337 0.25 733 63.546 0.240818 -3.50774 63.546000 Cu 0.658513 0.00709337 0.75 736 63.546 0.240818 -3.50774 63.546000 Cu 0.678033 0.0307585 1 771 63.546 0.481186 -3.48859 63.546000 Cu 0.727126 0.00530909 1 779 63.546 4.06105 -3.48894 63.546000 Cu 0.727126 0.00530909 0.5 780 63.546 4.06105 -3.48894 63.546000 Cu 0.678033 0.0307585 0.5 783 63.546 0.481186 -3.48859 63.546000 Cu 0.74285 0.0357407 0.25 781 63.546 1.06151 -3.46813 63.546000 Cu 0.74285 0.0357407 0.75 785 63.546 1.06151 -3.46813 63.546000 Cu 0.789796 0.0157127 0.25 782 63.546 6.95623 -3.41206 63.546000 Cu 0.789796 0.0157127 0.75 786 63.546 6.95623 -3.41206 63.546000 Cu 0.861302 0.0182632 2.10447e-17 835 63.546 6.41946 -3.52881 63.546000 Cu 0.811756 0.0383819 1 836 63.546 0.0260147 -3.51416 63.546000 Cu 0.811756 0.0383819 0.5 837 63.546 0.0260147 -3.51416 63.546000 Cu 0.861302 0.0182632 0.5 844 63.546 6.41946 -3.52881 63.546000 Cu 0.99717 0.0186737 1 909 63.546 6.16342 -3.54014 63.546000 Cu 0.99717 0.0186737 0.5 910 63.546 6.16342 -3.54014 63.546000 Cu 0.880774 0.040434 0.25 839 63.546 0.0480013 -3.5153 63.546000 Cu 0.929421 0.0185544 0.25 843 63.546 6.18581 -3.54329 63.546000 Cu 0.880774 0.040434 0.75 845 63.546 0.0480013 -3.5153 63.546000 Cu 0.929421 0.0185544 0.75 846 63.546 6.18581 -3.54329 63.546000 Cu 0.949002 0.0411182 1 901 63.546 0.00880457 -3.53471 63.546000 Cu 0.949002 0.0411182 0.5 913 63.546 0.00880457 -3.53471 63.546000 Cu 0.0355723 0.0643075 1 979 63.546 0.00138325 -3.53693 63.546000 Cu 0.103142 0.0648057 0.25 990 63.546 0.00139122 -3.53539 63.546000 Cu 0.0355723 0.0643075 0.5 992 63.546 0.00138325 -3.53693 63.546000 Cu 0.103142 0.0648057 0.75 994 63.546 0.00139122 -3.53539 63.546000 Cu 0.237583 0.0666146 0.25 659 63.546 0.0150614 -3.53615 63.546000 Cu 0.237583 0.0666146 0.75 667 63.546 0.0150614 -3.53615 63.546000 Cu 0.170492 0.06544 1 1071 63.546 0.0058484 -3.53333 63.546000 Cu 0.170492 0.06544 0.5 1072 63.546 0.0058484 -3.53333 63.546000 Cu 0.285867 0.0446804 0.25 664 63.546 0.0532695 -3.52447 63.546000 Cu 0.285867 0.0446804 0.75 668 63.546 0.0532695 -3.52447 63.546000 Cu 0.304952 0.0686674 1 675 63.546 0.0145439 -3.53745 63.546000 Cu 0.353912 0.0477491 1 684 63.546 0.073928 -3.53447 63.546000 Cu 0.353912 0.0477491 0.5 685 63.546 0.073928 -3.53447 63.546000 Cu 0.304952 0.0686674 0.5 688 63.546 0.0145439 -3.53745 63.546000 Cu 0.373231 0.0713408 0.25 686 63.546 0.0138009 -3.54004 63.546000 Cu 0.373231 0.0713408 0.75 690 63.546 0.0138009 -3.54004 63.546000 Cu 0.424268 0.0512323 0.25 687 63.546 0.129748 -3.50538 63.546000 Cu 0.424268 0.0512323 0.75 696 63.546 0.129748 -3.50538 63.546000 Cu 0.492648 0.0522991 1 717 63.546 0.0088597 -3.53758 63.546000 Cu 0.442324 0.0738954 1 718 63.546 0.0358834 -3.52453 63.546000 Cu 0.442324 0.0738954 0.5 719 63.546 0.0358834 -3.52453 63.546000 Cu 0.492648 0.0522991 0.5 730 63.546 0.0088597 -3.53758 63.546000 Cu 0.510531 0.0751722 0.25 721 63.546 0.00554545 -3.53621 63.546000 Cu 0.560447 0.0529629 0.25 728 63.546 0.00356599 -3.53202 63.546000 Cu 0.510531 0.0751722 0.75 731 63.546 0.00554545 -3.53621 63.546000 Cu 0.560447 0.0529629 0.75 732 63.546 0.00356599 -3.53202 63.546000 Cu 0.578191 0.0761491 1 763 63.546 0.00630875 -3.53538 63.546000 Cu 0.578191 0.0761491 0.5 776 63.546 0.00630875 -3.53538 63.546000 Cu 0.627726 0.0536584 1 772 63.546 0.0538344 -3.5248 63.546000 Cu 0.627726 0.0536584 0.5 773 63.546 0.0538344 -3.5248 63.546000 Cu 0.645253 0.0775505 0.25 774 63.546 0.0144961 -3.54058 63.546000 Cu 0.693851 0.055984 0.25 775 63.546 0.092133 -3.52878 63.546000 Cu 0.645253 0.0775505 0.75 778 63.546 0.0144961 -3.54058 63.546000 Cu 0.693851 0.055984 0.75 784 63.546 0.092133 -3.52878 63.546000 Cu 0.712789 0.0796552 1 828 63.546 0.0080845 -3.54182 63.546000 Cu 0.712789 0.0796552 0.5 829 63.546 0.0080845 -3.54182 63.546000 Cu 0.76212 0.0588872 1.71921e-16 827 63.546 0.00656201 -3.52981 63.546000 Cu 0.781071 0.082105 0.25 831 63.546 0.00359883 -3.53745 63.546000 Cu 0.830782 0.0612346 0.25 838 63.546 0.00687902 -3.53756 63.546000 Cu 0.76212 0.0588872 0.5 840 63.546 0.00656201 -3.52981 63.546000 Cu 0.781071 0.082105 0.75 841 63.546 0.00359883 -3.53745 63.546000 Cu 0.830782 0.0612346 0.75 842 63.546 0.00687902 -3.53756 63.546000 Cu 0.849644 0.084139 1 893 63.546 0.0045683 -3.53828 63.546000 Cu 0.849644 0.084139 0.5 906 63.546 0.0045683 -3.53828 63.546000 Cu 0.899568 0.0629577 1 902 63.546 0.0188121 -3.53203 63.546000 Cu 0.899568 0.0629577 0.5 903 63.546 0.0188121 -3.53203 63.546000 Cu 0.918172 0.0856638 0.25 904 63.546 0.00854504 -3.53488 63.546000 Cu 0.967775 0.0637884 0.25 905 63.546 0.00458413 -3.53681 63.546000 Cu 0.918172 0.0856638 0.75 908 63.546 0.00854504 -3.53488 63.546000 Cu 0.967775 0.0637884 0.75 914 63.546 0.00458413 -3.53681 63.546000 Cu 0.98626 0.0865875 1 980 63.546 0.00260793 -3.53695 63.546000 Cu 0.98626 0.0865875 0.5 981 63.546 0.00260793 -3.53695 63.546000 Cu 0.00468124 0.109495 0.25 982 63.546 0.00156157 -3.53738 63.546000 Cu 0.0540241 0.0872816 0.25 983 63.546 0.000892714 -3.53728 63.546000 Cu 0.00468124 0.109495 0.75 986 63.546 0.00156157 -3.53738 63.546000 Cu 0.0540241 0.0872816 0.75 993 63.546 0.000892714 -3.53728 63.546000 Cu 0.072412 0.110344 1 1064 63.546 0.000784603 -3.53774 63.546000 Cu 0.072412 0.110344 0.5 1065 63.546 0.000784603 -3.53774 63.546000 Cu 0.121561 0.0879931 1 1063 63.546 0.00139767 -3.53698 63.546000 Cu 0.121561 0.0879931 0.5 1073 63.546 0.00139767 -3.53698 63.546000 Cu 0.188917 0.0889216 0.25 658 63.546 0.00458003 -3.53747 63.546000 Cu 0.188917 0.0889216 0.75 660 63.546 0.00458003 -3.53747 63.546000 Cu 0.207359 0.112408 5.19159e-16 673 63.546 0.00365551 -3.53872 63.546000 Cu 0.207359 0.112408 0.5 680 63.546 0.00365551 -3.53872 63.546000 Cu 0.139942 0.111267 0.25 1067 63.546 0.0010782 -3.53805 63.546000 Cu 0.139942 0.111267 0.75 1074 63.546 0.0010782 -3.53805 63.546000 Cu 0.256263 0.0903628 1 676 63.546 0.00775415 -3.53934 63.546000 Cu 0.256263 0.0903628 0.5 677 63.546 0.00775415 -3.53934 63.546000 Cu 0.274848 0.114 0.25 678 63.546 0.00349504 -3.53986 63.546000 Cu 0.323899 0.0924111 0.25 679 63.546 0.00490584 -3.53944 63.546000 Cu 0.274848 0.114 0.75 682 63.546 0.00349504 -3.53986 63.546000 Cu 0.323899 0.0924111 0.75 689 63.546 0.00490584 -3.53944 63.546000 Cu 0.342654 0.115959 1 710 63.546 0.00152884 -3.54011 63.546000 Cu 0.342654 0.115959 0.5 711 63.546 0.00152884 -3.54011 63.546000 Cu 0.3921 0.0947174 1 709 63.546 0.00325661 -3.53945 63.546000 Cu 0.410768 0.118024 0.25 713 63.546 0.00113035 -3.53946 63.546000 Cu 0.460665 0.096825 0.25 720 63.546 0.0112555 -3.53351 63.546000 Cu 0.3921 0.0947174 0.5 722 63.546 0.00325661 -3.53945 63.546000 Cu 0.410768 0.118024 0.75 723 63.546 0.00113035 -3.53946 63.546000 Cu 0.460665 0.096825 0.75 724 63.546 0.0112555 -3.53351 63.546000 Cu 0.479044 0.119907 1 755 63.546 0.00345237 -3.53656 63.546000 Cu 0.479044 0.119907 0.5 768 63.546 0.00345237 -3.53656 63.546000 Cu 0.528742 0.098221 1 764 63.546 0.00227357 -3.53779 63.546000 Cu 0.528742 0.098221 0.5 765 63.546 0.00227357 -3.53779 63.546000 Cu 0.547011 0.121413 0.25 766 63.546 0.000722215 -3.5387 63.546000 Cu 0.596361 0.0995251 0.25 767 63.546 0.0019746 -3.53981 63.546000 Cu 0.547011 0.121413 0.75 770 63.546 0.000722215 -3.5387 63.546000 Cu 0.596361 0.0995251 0.75 777 63.546 0.0019746 -3.53981 63.546000 Cu 0.614722 0.122906 1 820 63.546 0.000823348 -3.54039 63.546000 Cu 0.614722 0.122906 0.5 821 63.546 0.000823348 -3.54039 63.546000 Cu 0.663865 0.101134 1 819 63.546 0.00430263 -3.54179 63.546000 Cu 0.682431 0.124605 0.25 823 63.546 0.00148418 -3.54111 63.546000 Cu 0.731681 0.103171 0.25 830 63.546 0.00218652 -3.54085 63.546000 Cu 0.663865 0.101134 0.5 832 63.546 0.00430263 -3.54179 63.546000 Cu 0.682431 0.124605 0.75 833 63.546 0.00148418 -3.54111 63.546000 Cu 0.731681 0.103171 0.75 834 63.546 0.00218652 -3.54085 63.546000 Cu 0.750352 0.126528 1 885 63.546 0.000768578 -3.54035 63.546000 Cu 0.799921 0.105285 1 894 63.546 0.00182574 -3.53862 63.546000 Cu 0.799921 0.105285 0.5 895 63.546 0.00182574 -3.53862 63.546000 Cu 0.818575 0.128431 0.25 896 63.546 0.00107184 -3.53946 63.546000 Cu 0.750352 0.126528 0.5 898 63.546 0.000768578 -3.54035 63.546000 Cu 0.818575 0.128431 0.75 900 63.546 0.00107184 -3.53946 63.546000 Cu 0.86834 0.107096 0.25 897 63.546 0.00313171 -3.53876 63.546000 Cu 0.86834 0.107096 0.75 907 63.546 0.00313171 -3.53876 63.546000 Cu 0.936671 0.108492 1 971 63.546 0.00386266 -3.53663 63.546000 Cu 0.886852 0.130091 1 972 63.546 0.00212541 -3.5388 63.546000 Cu 0.886852 0.130091 0.5 973 63.546 0.00212541 -3.5388 63.546000 Cu 0.936671 0.108492 0.5 984 63.546 0.00386266 -3.53663 63.546000 Cu 0.0229775 0.132481 1.72431e-16 1055 63.546 0.000708944 -3.53788 63.546000 Cu 0.0412869 0.155548 0.25 1059 63.546 0.000323724 -3.53873 63.546000 Cu 0.090706 0.133487 0.25 1066 63.546 0.000514473 -3.53861 63.546000 Cu 0.0229775 0.132481 0.5 1068 63.546 0.000708944 -3.53788 63.546000 Cu 0.0412869 0.155548 0.75 1069 63.546 0.000323724 -3.53873 63.546000 Cu 0.090706 0.133487 0.75 1070 63.546 0.000514473 -3.53861 63.546000 Cu 0.109047 0.156691 1 1127 63.546 0.000402382 -3.53948 63.546000 Cu 0.109047 0.156691 0.5 1138 63.546 0.000402382 -3.53948 63.546000 Cu 0.225736 0.135886 0.25 674 63.546 0.00220428 -3.53959 63.546000 Cu 0.225736 0.135886 0.75 681 63.546 0.00220428 -3.53959 63.546000 Cu 0.158274 0.134585 1 1135 63.546 0.000810015 -3.53871 63.546000 Cu 0.158274 0.134585 0.5 1136 63.546 0.000810015 -3.53871 63.546000 Cu 0.176647 0.157933 0.25 1137 63.546 0.000435412 -3.53915 63.546000 Cu 0.176647 0.157933 0.75 1140 63.546 0.000435412 -3.53915 63.546000 Cu 0.244209 0.159328 1 702 63.546 0.00136971 -3.53956 63.546000 Cu 0.244209 0.159328 0.5 703 63.546 0.00136971 -3.53956 63.546000 Cu 0.293381 0.137518 1 701 63.546 0.00178276 -3.54013 63.546000 Cu 0.31187 0.160984 0.25 705 63.546 0.000979152 -3.53988 63.546000 Cu 0.361223 0.139406 0.25 712 63.546 0.000495503 -3.5398 63.546000 Cu 0.293381 0.137518 0.5 714 63.546 0.00178276 -3.54013 63.546000 Cu 0.31187 0.160984 0.75 715 63.546 0.000979152 -3.53988 63.546000 Cu 0.361223 0.139406 0.75 716 63.546 0.000495503 -3.5398 63.546000 Cu 0.379753 0.162793 1 747 63.546 0.000296054 -3.53982 63.546000 Cu 0.429238 0.141306 1 756 63.546 0.00049787 -3.53914 63.546000 Cu 0.429238 0.141306 0.5 757 63.546 0.00049787 -3.53914 63.546000 Cu 0.447772 0.164584 0.25 758 63.546 0.00019875 -3.53959 63.546000 Cu 0.379753 0.162793 0.5 760 63.546 0.000296054 -3.53982 63.546000 Cu 0.447772 0.164584 0.75 762 63.546 0.00019875 -3.53959 63.546000 Cu 0.497356 0.143075 0.25 759 63.546 0.000962871 -3.53796 63.546000 Cu 0.497356 0.143075 0.75 769 63.546 0.000962871 -3.53796 63.546000 Cu 0.565301 0.144657 1 811 63.546 0.000245187 -3.5395 63.546000 Cu 0.51583 0.166297 1 812 63.546 0.000220884 -3.53887 63.546000 Cu 0.51583 0.166297 0.5 813 63.546 0.000220884 -3.53887 63.546000 Cu 0.58379 0.167932 0.25 815 63.546 9.33856e-05 -3.53976 63.546000 Cu 0.565301 0.144657 0.5 824 63.546 0.000245187 -3.5395 63.546000 Cu 0.58379 0.167932 0.75 825 63.546 9.33856e-05 -3.53976 63.546000 Cu 0.633136 0.146265 0.25 822 63.546 0.00033497 -3.54045 63.546000 Cu 0.633136 0.146265 0.75 826 63.546 0.00033497 -3.54045 63.546000 Cu 0.651715 0.169594 1 877 63.546 0.000119085 -3.54045 63.546000 Cu 0.700972 0.147996 1 886 63.546 0.000443969 -3.54075 63.546000 Cu 0.700972 0.147996 0.5 887 63.546 0.000443969 -3.54075 63.546000 Cu 0.719661 0.171322 0.25 888 63.546 0.000129608 -3.54062 63.546000 Cu 0.651715 0.169594 0.5 890 63.546 0.000119085 -3.54045 63.546000 Cu 0.719661 0.171322 0.75 892 63.546 0.000129608 -3.54062 63.546000 Cu 0.768966 0.14981 0.25 889 63.546 0.000448701 -3.5402 63.546000 Cu 0.768966 0.14981 0.75 899 63.546 0.000448701 -3.5402 63.546000 Cu 0.837148 0.15157 2.10447e-17 963 63.546 0.000932954 -3.53967 63.546000 Cu 0.787718 0.173047 1 964 63.546 0.000182277 -3.54046 63.546000 Cu 0.787718 0.173047 0.5 965 63.546 0.000182277 -3.54046 63.546000 Cu 0.837148 0.15157 0.5 976 63.546 0.000932954 -3.53967 63.546000 Cu 0.905352 0.153113 0.25 974 63.546 0.00139416 -3.53919 63.546000 Cu 0.955027 0.131411 0.25 975 63.546 0.00165169 -3.53752 63.546000 Cu 0.905352 0.153113 0.75 978 63.546 0.00139416 -3.53919 63.546000 Cu 0.955027 0.131411 0.75 985 63.546 0.00165169 -3.53752 63.546000 Cu 0.9734 0.1544 1 1056 63.546 0.000685217 -3.53827 63.546000 Cu 0.9734 0.1544 0.5 1057 63.546 0.000685217 -3.53827 63.546000 Cu 0.0103566 0.200575 1 1119 63.546 7.06762e-05 -3.53895 63.546000 Cu 0.059747 0.17868 1 1128 63.546 0.00021722 -3.53896 63.546000 Cu 0.059747 0.17868 0.5 1129 63.546 0.00021722 -3.53896 63.546000 Cu 0.0781915 0.201865 0.25 1130 63.546 0.000165106 -3.5394 63.546000 Cu 0.0103566 0.200575 0.5 1132 63.546 7.06762e-05 -3.53895 63.546000 Cu 0.0781915 0.201865 0.75 1134 63.546 0.000165106 -3.5394 63.546000 Cu 0.195107 0.181277 1 699 63.546 0.000341099 -3.53927 63.546000 Cu 0.213655 0.204606 0.25 700 63.546 0.000312298 -3.53963 63.546000 Cu 0.195107 0.181277 0.5 706 63.546 0.000341099 -3.53927 63.546000 Cu 0.213655 0.204606 0.75 707 63.546 0.000312298 -3.53963 63.546000 Cu 0.127472 0.179947 0.25 1131 63.546 0.000188603 -3.53951 63.546000 Cu 0.127472 0.179947 0.75 1139 63.546 0.000188603 -3.53951 63.546000 Cu 0.145942 0.203227 1 1189 63.546 0.000128939 -3.53965 63.546000 Cu 0.145942 0.203227 0.5 1190 63.546 0.000128939 -3.53965 63.546000 Cu 0.262766 0.182744 0.25 704 63.546 0.000716084 -3.53992 63.546000 Cu 0.262766 0.182744 0.75 708 63.546 0.000716084 -3.53992 63.546000 Cu 0.281415 0.206105 1 739 63.546 0.000460971 -3.53986 63.546000 Cu 0.330531 0.184388 1 748 63.546 0.000370163 -3.5398 63.546000 Cu 0.330531 0.184388 0.5 749 63.546 0.000370163 -3.5398 63.546000 Cu 0.349236 0.207748 0.25 750 63.546 0.000189824 -3.53984 63.546000 Cu 0.281415 0.206105 0.5 752 63.546 0.000460971 -3.53986 63.546000 Cu 0.349236 0.207748 0.75 754 63.546 0.000189824 -3.53984 63.546000 Cu 0.398416 0.186131 0.25 751 63.546 0.000122552 -3.53944 63.546000 Cu 0.398416 0.186131 0.75 761 63.546 0.000122552 -3.53944 63.546000 Cu 0.466411 0.187864 3.4554e-16 803 63.546 0.00011519 -3.53961 63.546000 Cu 0.417166 0.209454 1 804 63.546 5.62992e-05 -3.53991 63.546000 Cu 0.417166 0.209454 0.5 805 63.546 5.62992e-05 -3.53991 63.546000 Cu 0.48517 0.211149 0.25 807 63.546 2.54404e-05 -3.53977 63.546000 Cu 0.466411 0.187864 0.5 816 63.546 0.00011519 -3.53961 63.546000 Cu 0.48517 0.211149 0.75 817 63.546 2.54404e-05 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