Number of particles = 1060 A = 1 Angstrom (basic length-scale) H0(1,1) = 29.2939 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 83.7005 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.10662 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 0.0166987 0.0136488 0.5 621 63.546 6.19852 -3.53938 63.546000 Cu 0.0166987 0.0136488 1 622 63.546 6.19852 -3.53938 63.546000 Cu 0.0443246 0.038302 0.75 623 63.546 0.00421406 -3.53814 63.546000 Cu 0.0922255 0.0131038 0.75 624 63.546 6.15516 -3.53791 63.546000 Cu 0.0443246 0.038302 0.25 627 63.546 0.00421406 -3.53814 63.546000 Cu 0.0922255 0.0131038 0.25 628 63.546 6.15516 -3.53791 63.546000 Cu 0.12002 0.0375592 0.5 674 63.546 0.00567499 -3.5379 63.546000 Cu 0.12002 0.0375592 5.17959e-16 675 63.546 0.00567499 -3.5379 63.546000 Cu 0.167579 0.0125258 0.5 673 63.546 6.06535 -3.51769 63.546000 Cu 0.195934 0.036477 0.75 677 63.546 0.00570211 -3.53549 63.546000 Cu 0.243261 0.0109126 0.75 681 63.546 4.16936 -3.45572 63.546000 Cu 0.167579 0.0125258 0 682 63.546 6.06535 -3.51769 63.546000 Cu 0.195934 0.036477 0.25 683 63.546 0.00570211 -3.53549 63.546000 Cu 0.243261 0.0109126 0.25 684 63.546 4.16936 -3.45572 63.546000 Cu 0.271271 0.0348561 0.5 737 63.546 0.0135263 -3.53001 63.546000 Cu 0.316391 0.00819299 0.5 745 63.546 0.118104 -3.51395 63.546000 Cu 0.316391 0.00819299 1 746 63.546 0.118104 -3.51395 63.546000 Cu 0.345708 0.0328428 0.75 747 63.546 0.0221278 -3.54457 63.546000 Cu 0.271271 0.0348561 0 749 63.546 0.0135263 -3.53001 63.546000 Cu 0.345708 0.0328428 0.25 751 63.546 0.0221278 -3.54457 63.546000 Cu 0.391421 0.00739953 0.75 748 63.546 0.00938204 -3.52847 63.546000 Cu 0.391421 0.00739953 0.25 752 63.546 0.00938204 -3.52847 63.546000 Cu 0.467276 0.00702255 0.5 821 63.546 0.0100026 -3.52728 63.546000 Cu 0.421275 0.0319007 0.5 822 63.546 0.00548331 -3.53812 63.546000 Cu 0.421275 0.0319007 1 823 63.546 0.00548331 -3.53812 63.546000 Cu 0.497832 0.0312038 0.75 825 63.546 0.0254356 -3.52421 63.546000 Cu 0.467276 0.00702255 1 830 63.546 0.0100026 -3.52728 63.546000 Cu 0.497832 0.0312038 0.25 831 63.546 0.0254356 -3.52421 63.546000 Cu 0.543801 0.00702906 0.75 829 63.546 4.08502 -3.42758 63.546000 Cu 0.543801 0.00702906 0.25 832 63.546 4.08502 -3.42758 63.546000 Cu 0.576959 0.0299088 0.5 897 63.546 6.45574 -3.49862 63.546000 Cu 0.576959 0.0299088 1 905 63.546 6.45574 -3.49862 63.546000 Cu 0.634192 0.0124913 0.75 541 63.546 7.33843 -3.53563 63.546000 Cu 0.634192 0.0124913 0.25 542 63.546 7.33843 -3.53563 63.546000 Cu 0.712298 0.0138149 0.5 551 63.546 5.81914 -3.53395 63.546000 Cu 0.712298 0.0138149 1 552 63.546 5.81914 -3.53395 63.546000 Cu 0.664437 0.0385453 0.5 544 63.546 6.24483 -3.53009 63.546000 Cu 0.740903 0.0394889 0.75 553 63.546 0.0113959 -3.52375 63.546000 Cu 0.664437 0.0385453 1 555 63.546 6.24483 -3.53009 63.546000 Cu 0.740903 0.0394889 0.25 557 63.546 0.0113959 -3.52375 63.546000 Cu 0.788946 0.014344 0.75 554 63.546 6.03786 -3.53936 63.546000 Cu 0.788946 0.014344 0.25 558 63.546 6.03786 -3.53936 63.546000 Cu 0.865074 0.0143801 0.5 575 63.546 6.14235 -3.53992 63.546000 Cu 0.865074 0.0143801 1 584 63.546 6.14235 -3.53992 63.546000 Cu 0.816962 0.0396475 0.5 576 63.546 0.00580739 -3.53287 63.546000 Cu 0.816962 0.0396475 1 577 63.546 0.00580739 -3.53287 63.546000 Cu 0.940976 0.0140935 0.75 583 63.546 6.19067 -3.54009 63.546000 Cu 0.940976 0.0140935 0.25 586 63.546 6.19067 -3.54009 63.546000 Cu 0.968647 0.0389249 0.5 613 63.546 0.0039964 -3.5373 63.546000 Cu 0.968647 0.0389249 0 625 63.546 0.0039964 -3.5373 63.546000 Cu 0.892889 0.0394182 0.75 579 63.546 0.00428627 -3.53584 63.546000 Cu 0.892889 0.0394182 0.25 585 63.546 0.00428627 -3.53584 63.546000 Cu 0.0731982 0.062861 0.5 665 63.546 0.00234721 -3.53956 63.546000 Cu 0.0731982 0.062861 1 678 63.546 0.00234721 -3.53956 63.546000 Cu 0.149024 0.0618262 0.75 676 63.546 0.0016009 -3.53936 63.546000 Cu 0.149024 0.0618262 0.25 680 63.546 0.0016009 -3.53936 63.546000 Cu 0.224781 0.06054 0.5 738 63.546 0.00213383 -3.53767 63.546000 Cu 0.224781 0.06054 1 739 63.546 0.00213383 -3.53767 63.546000 Cu 0.300187 0.0589313 0.75 741 63.546 0.00181251 -3.53752 63.546000 Cu 0.300187 0.0589313 0.25 750 63.546 0.00181251 -3.53752 63.546000 Cu 0.329357 0.0830678 0.5 814 63.546 0.000128828 -3.53884 63.546000 Cu 0.329357 0.0830678 1 815 63.546 0.000128828 -3.53884 63.546000 Cu 0.375258 0.0572508 0.5 813 63.546 0.00692414 -3.54262 63.546000 Cu 0.375258 0.0572508 1 826 63.546 0.00692414 -3.54262 63.546000 Cu 0.404576 0.0814945 0.75 817 63.546 0.00200901 -3.54084 63.546000 Cu 0.451161 0.0560861 0.75 824 63.546 0.00524707 -3.5384 63.546000 Cu 0.404576 0.0814945 0.25 827 63.546 0.00200901 -3.54084 63.546000 Cu 0.451161 0.0560861 0.25 828 63.546 0.00524707 -3.5384 63.546000 Cu 0.480121 0.0801268 0.5 889 63.546 0.00246615 -3.53859 63.546000 Cu 0.480121 0.0801268 3.45221e-16 902 63.546 0.00246615 -3.53859 63.546000 Cu 0.527943 0.0547989 0.5 898 63.546 0.016348 -3.53512 63.546000 Cu 0.527943 0.0547989 1 899 63.546 0.016348 -3.53512 63.546000 Cu 0.555486 0.0787667 0.75 900 63.546 0.00515362 -3.53439 63.546000 Cu 0.604509 0.0536895 0.75 901 63.546 5.66125 -3.49054 63.546000 Cu 0.555486 0.0787667 0.25 904 63.546 0.00515362 -3.53439 63.546000 Cu 0.604509 0.0536895 0.25 906 63.546 5.66125 -3.49054 63.546000 Cu 0.63077 0.0773375 0.5 545 63.546 4.99542 -3.46419 63.546000 Cu 0.63077 0.0773375 1 546 63.546 4.99542 -3.46419 63.546000 Cu 0.694217 0.0646847 0.75 548 63.546 5.24637 -3.53377 63.546000 Cu 0.694217 0.0646847 0.25 556 63.546 5.24637 -3.53377 63.546000 Cu 0.770217 0.0651288 0.5 567 63.546 0.0106219 -3.52639 63.546000 Cu 0.845965 0.0648805 0.75 578 63.546 0.00465312 -3.53477 63.546000 Cu 0.770217 0.0651288 1 580 63.546 0.0106219 -3.52639 63.546000 Cu 0.845965 0.0648805 0.25 582 63.546 0.00465312 -3.53477 63.546000 Cu 0.997488 0.0636865 0.75 617 63.546 0.00223382 -3.53918 63.546000 Cu 0.997488 0.0636865 0.25 626 63.546 0.00223382 -3.53918 63.546000 Cu 0.921746 0.0643697 0.5 614 63.546 0.0029576 -3.53773 63.546000 Cu 0.921746 0.0643697 1 615 63.546 0.0029576 -3.53773 63.546000 Cu 0.0271014 0.0883432 0.5 666 63.546 0.00200532 -3.53897 63.546000 Cu 0.0271014 0.0883432 1 667 63.546 0.00200532 -3.53897 63.546000 Cu 0.0572863 0.112911 0.75 668 63.546 0.00111818 -3.53876 63.546000 Cu 0.102753 0.0872901 0.75 669 63.546 0.00143458 -3.5395 63.546000 Cu 0.0572863 0.112911 0.25 672 63.546 0.00111818 -3.53876 63.546000 Cu 0.102753 0.0872901 0.25 679 63.546 0.00143458 -3.5395 63.546000 Cu 0.178406 0.086057 0.5 729 63.546 0.000969 -3.53916 63.546000 Cu 0.132655 0.111663 0.5 730 63.546 0.000878866 -3.5392 63.546000 Cu 0.132655 0.111663 0 731 63.546 0.000878866 -3.5392 63.546000 Cu 0.208034 0.110276 0.75 733 63.546 0.000547293 -3.53893 63.546000 Cu 0.178406 0.086057 1 742 63.546 0.000969 -3.53916 63.546000 Cu 0.208034 0.110276 0.25 743 63.546 0.000547293 -3.53893 63.546000 Cu 0.254 0.0846411 0.75 740 63.546 0.000577066 -3.53845 63.546000 Cu 0.254 0.0846411 0.25 744 63.546 0.000577066 -3.53845 63.546000 Cu 0.283356 0.108781 0.5 805 63.546 0.000263069 -3.53834 63.546000 Cu 0.358519 0.107232 0.75 816 63.546 0.000250016 -3.53848 63.546000 Cu 0.283356 0.108781 1 818 63.546 0.000263069 -3.53834 63.546000 Cu 0.358519 0.107232 0.25 820 63.546 0.000250016 -3.53848 63.546000 Cu 0.433536 0.105703 0.5 890 63.546 0.00120092 -3.53908 63.546000 Cu 0.433536 0.105703 1 891 63.546 0.00120092 -3.53908 63.546000 Cu 0.508526 0.104266 0.75 893 63.546 0.00278102 -3.53734 63.546000 Cu 0.508526 0.104266 0.25 903 63.546 0.00278102 -3.53734 63.546000 Cu 0.583352 0.102726 0.5 959 63.546 0.0110027 -3.53408 63.546000 Cu 0.583352 0.102726 1 966 63.546 0.0110027 -3.53408 63.546000 Cu 0.657923 0.100625 0.75 547 63.546 1.70129 -3.45335 63.546000 Cu 0.657923 0.100625 0.25 550 63.546 1.70129 -3.45335 63.546000 Cu 0.686838 0.123778 0.5 560 63.546 0.612259 -3.47459 63.546000 Cu 0.724918 0.0908703 0.5 568 63.546 1.79626 -3.53183 63.546000 Cu 0.724918 0.0908703 0 569 63.546 1.79626 -3.53183 63.546000 Cu 0.686838 0.123778 1 572 63.546 0.612259 -3.47459 63.546000 Cu 0.756635 0.116806 0.75 570 63.546 0.696952 -3.53408 63.546000 Cu 0.800375 0.0906222 0.75 571 63.546 0.0086834 -3.52695 63.546000 Cu 0.756635 0.116806 0.25 574 63.546 0.696952 -3.53408 63.546000 Cu 0.800375 0.0906222 0.25 581 63.546 0.0086834 -3.52695 63.546000 Cu 0.831501 0.115905 0.5 606 63.546 0.00346605 -3.52868 63.546000 Cu 0.831501 0.115905 2.62589e-16 607 63.546 0.00346605 -3.52868 63.546000 Cu 0.875862 0.0899826 0.5 605 63.546 0.00438527 -3.53501 63.546000 Cu 0.906624 0.114958 0.75 609 63.546 0.0018134 -3.53497 63.546000 Cu 0.951485 0.0892287 0.75 616 63.546 0.00259671 -3.53766 63.546000 Cu 0.875862 0.0899826 1 618 63.546 0.00438527 -3.53501 63.546000 Cu 0.906624 0.114958 0.25 619 63.546 0.0018134 -3.53497 63.546000 Cu 0.951485 0.0892287 0.25 620 63.546 0.00259671 -3.53766 63.546000 Cu 0.981934 0.113993 0.5 657 63.546 0.00114447 -3.5374 63.546000 Cu 0.981934 0.113993 1 670 63.546 0.00114447 -3.5374 63.546000 Cu 0.0125509 0.138709 0.75 661 63.546 0.000836817 -3.53757 63.546000 Cu 0.0125509 0.138709 0.25 671 63.546 0.000836817 -3.53757 63.546000 Cu 0.0875892 0.137432 0.5 721 63.546 0.000786055 -3.53862 63.546000 Cu 0.0430951 0.163375 0.5 722 63.546 0.000716491 -3.53756 63.546000 Cu 0.0430951 0.163375 1 723 63.546 0.000716491 -3.53756 63.546000 Cu 0.117824 0.161915 0.75 725 63.546 0.000647 -3.53841 63.546000 Cu 0.0875892 0.137432 1 734 63.546 0.000786055 -3.53862 63.546000 Cu 0.117824 0.161915 0.25 735 63.546 0.000647 -3.53841 63.546000 Cu 0.162645 0.136018 0.75 732 63.546 0.000616878 -3.5389 63.546000 Cu 0.162645 0.136018 0.25 736 63.546 0.000616878 -3.5389 63.546000 Cu 0.19264 0.160338 0.5 797 63.546 0.000444755 -3.53854 63.546000 Cu 0.237746 0.1345 0.5 806 63.546 0.000346168 -3.53855 63.546000 Cu 0.237746 0.1345 1 807 63.546 0.000346168 -3.53855 63.546000 Cu 0.19264 0.160338 1 810 63.546 0.000444755 -3.53854 63.546000 Cu 0.267561 0.158712 0.75 808 63.546 0.000324235 -3.53832 63.546000 Cu 0.312845 0.132955 0.75 809 63.546 0.000232735 -3.53827 63.546000 Cu 0.267561 0.158712 0.25 812 63.546 0.000324235 -3.53832 63.546000 Cu 0.312845 0.132955 0.25 819 63.546 0.000232735 -3.53827 63.546000 Cu 0.342558 0.15713 0.5 882 63.546 0.000333955 -3.53816 63.546000 Cu 0.342558 0.15713 3.38597e-16 883 63.546 0.000333955 -3.53816 63.546000 Cu 0.387882 0.131423 0.5 881 63.546 0.000360808 -3.53837 63.546000 Cu 0.417618 0.155582 0.75 885 63.546 0.000507372 -3.53816 63.546000 Cu 0.462826 0.129893 0.75 892 63.546 0.000863282 -3.5383 63.546000 Cu 0.387882 0.131423 1 894 63.546 0.000360808 -3.53837 63.546000 Cu 0.417618 0.155582 0.25 895 63.546 0.000507372 -3.53816 63.546000 Cu 0.462826 0.129893 0.25 896 63.546 0.000863282 -3.5383 63.546000 Cu 0.492679 0.154009 0.5 951 63.546 0.000930006 -3.5383 63.546000 Cu 0.492679 0.154009 0 963 63.546 0.000930006 -3.5383 63.546000 Cu 0.612542 0.126528 0.75 543 63.546 0.0147929 -3.53487 63.546000 Cu 0.612542 0.126528 0.25 549 63.546 0.0147929 -3.53487 63.546000 Cu 0.537717 0.128348 0.5 960 63.546 0.00279234 -3.53754 63.546000 Cu 0.537717 0.128348 1 961 63.546 0.00279234 -3.53754 63.546000 Cu 0.56775 0.152312 0.75 962 63.546 0.00289551 -3.53826 63.546000 Cu 0.56775 0.152312 0.25 965 63.546 0.00289551 -3.53826 63.546000 Cu 0.64269 0.150209 0.5 561 63.546 0.015845 -3.53594 63.546000 Cu 0.64269 0.150209 3.46325e-16 562 63.546 0.015845 -3.53594 63.546000 Cu 0.716787 0.147142 0.75 564 63.546 0.158407 -3.5037 63.546000 Cu 0.716787 0.147142 0.25 573 63.546 0.158407 -3.5037 63.546000 Cu 0.788361 0.14229 0.5 597 63.546 0.231305 -3.53688 63.546000 Cu 0.862793 0.140999 0.75 608 63.546 0.00233925 -3.53119 63.546000 Cu 0.788361 0.14229 1 610 63.546 0.231305 -3.53688 63.546000 Cu 0.862793 0.140999 0.25 612 63.546 0.00233925 -3.53119 63.546000 Cu 0.937576 0.139852 0.5 658 63.546 0.00102308 -3.53542 63.546000 Cu 0.937576 0.139852 1 659 63.546 0.00102308 -3.53542 63.546000 Cu 0.968413 0.164687 0.75 660 63.546 0.000617977 -3.53589 63.546000 Cu 0.968413 0.164687 0.25 664 63.546 0.000617977 -3.53589 63.546000 Cu 0.893899 0.165975 0.5 649 63.546 0.00163775 -3.53325 63.546000 Cu 0.893899 0.165975 1.73672e-16 662 63.546 0.00163775 -3.53325 63.546000 Cu 0.0734245 0.187996 0.75 724 63.546 0.000756426 -3.53774 63.546000 Cu 0.0734245 0.187996 0.25 728 63.546 0.000756426 -3.53774 63.546000 Cu 0.147954 0.18635 0.5 798 63.546 0.000756071 -3.53829 63.546000 Cu 0.147954 0.18635 3.17281e-16 799 63.546 0.000756071 -3.53829 63.546000 Cu 0.222635 0.184611 0.75 801 63.546 0.000628739 -3.53832 63.546000 Cu 0.222635 0.184611 0.25 811 63.546 0.000628739 -3.53832 63.546000 Cu 0.297511 0.182905 0.5 873 63.546 0.000667684 -3.53856 63.546000 Cu 0.327814 0.207022 0.75 877 63.546 0.000460742 -3.53871 63.546000 Cu 0.372606 0.181266 0.75 884 63.546 0.000408751 -3.53858 63.546000 Cu 0.297511 0.182905 1.73587e-16 886 63.546 0.000667684 -3.53856 63.546000 Cu 0.327814 0.207022 0.25 887 63.546 0.000460742 -3.53871 63.546000 Cu 0.372606 0.181266 0.25 888 63.546 0.000408751 -3.53858 63.546000 Cu 0.403012 0.205339 0.5 943 63.546 0.000104363 -3.53852 63.546000 Cu 0.447835 0.179672 0.5 952 63.546 0.000193737 -3.53853 63.546000 Cu 0.447835 0.179672 6.18256e-17 953 63.546 0.000193737 -3.53853 63.546000 Cu 0.478311 0.203706 0.75 954 63.546 6.74818e-05 -3.53842 63.546000 Cu 0.403012 0.205339 6.93669e-16 956 63.546 0.000104363 -3.53852 63.546000 Cu 0.478311 0.203706 0.25 958 63.546 6.74818e-05 -3.53842 63.546000 Cu 0.523098 0.178028 0.75 955 63.546 0.000540858 -3.53859 63.546000 Cu 0.523098 0.178028 0.25 964 63.546 0.000540858 -3.53859 63.546000 Cu 0.598274 0.176199 0.5 1007 63.546 0.00317014 -3.53857 63.546000 Cu 0.553569 0.20201 0.5 1008 63.546 0.000732352 -3.5385 63.546000 Cu 0.553569 0.20201 5.20252e-16 1009 63.546 0.000732352 -3.5385 63.546000 Cu 0.598274 0.176199 1 1014 63.546 0.00317014 -3.53857 63.546000 Cu 0.628651 0.200111 0.75 559 63.546 0.00319617 -3.5382 63.546000 Cu 0.673116 0.173936 0.75 563 63.546 0.0133327 -3.53588 63.546000 Cu 0.628651 0.200111 0.25 565 63.546 0.00319617 -3.5382 63.546000 Cu 0.673116 0.173936 0.25 566 63.546 0.0133327 -3.53588 63.546000 Cu 0.703262 0.197828 0.5 589 63.546 0.00800834 -3.53572 63.546000 Cu 0.747011 0.170915 0.5 598 63.546 0.0327919 -3.52319 63.546000 Cu 0.747011 0.170915 4.24626e-19 599 63.546 0.0327919 -3.52319 63.546000 Cu 0.703262 0.197828 3.48194e-16 602 63.546 0.00800834 -3.53572 63.546000 Cu 0.777104 0.195054 0.75 600 63.546 0.00686679 -3.53225 63.546000 Cu 0.81968 0.167443 0.75 601 63.546 0.0712242 -3.53761 63.546000 Cu 0.777104 0.195054 0.25 604 63.546 0.00686679 -3.53225 63.546000 Cu 0.81968 0.167443 0.25 611 63.546 0.0712242 -3.53761 63.546000 Cu 0.850438 0.192399 0.5 650 63.546 0.0219065 -3.53762 63.546000 Cu 0.850438 0.192399 3.04032e-16 651 63.546 0.0219065 -3.53762 63.546000 Cu 0.998966 0.189479 0.5 713 63.546 0.000356789 -3.53644 63.546000 Cu 0.998966 0.189479 1 726 63.546 0.000356789 -3.53644 63.546000 Cu 0.924603 0.190873 0.75 653 63.546 0.000686849 -3.53472 63.546000 Cu 0.924603 0.190873 0.25 663 63.546 0.000686849 -3.53472 63.546000 Cu 0.0294736 0.214231 0.75 717 63.546 0.000623088 -3.53691 63.546000 Cu 0.0294736 0.214231 0.25 727 63.546 0.000623088 -3.53691 63.546000 Cu 0.10375 0.212566 0.5 789 63.546 0.00120544 -3.53783 63.546000 Cu 0.0601145 0.238967 0.5 790 63.546 0.00204902 -3.53751 63.546000 Cu 0.0601145 0.238967 1.3887e-15 791 63.546 0.00204902 -3.53751 63.546000 Cu 0.10375 0.212566 6.02969e-17 802 63.546 0.00120544 -3.53783 63.546000 Cu 0.134189 0.237061 0.75 793 63.546 0.00186084 -3.53753 63.546000 Cu 0.178136 0.2107 0.75 800 63.546 0.00119637 -3.5381 63.546000 Cu 0.134189 0.237061 0.25 803 63.546 0.00186084 -3.53753 63.546000 Cu 0.178136 0.2107 0.25 804 63.546 0.00119637 -3.5381 63.546000 Cu 0.208469 0.234925 0.5 865 63.546 0.002106 -3.53757 63.546000 Cu 0.208469 0.234925 6.66663e-16 878 63.546 0.002106 -3.53757 63.546000 Cu 0.252817 0.20881 0.5 874 63.546 0.000973571 -3.53857 63.546000 Cu 0.252817 0.20881 3.47344e-16 875 63.546 0.000973571 -3.53857 63.546000 Cu 0.28321 0.2329 0.75 876 63.546 0.00117929 -3.53835 63.546000 Cu 0.28321 0.2329 0.25 880 63.546 0.00117929 -3.53835 63.546000 Cu 0.358266 0.231072 0.5 944 63.546 0.00039762 -3.53841 63.546000 Cu 0.358266 0.231072 7.95665e-16 945 63.546 0.00039762 -3.53841 63.546000 Cu 0.433474 0.229383 0.75 947 63.546 4.66013e-05 -3.5384 63.546000 Cu 0.433474 0.229383 0.25 957 63.546 4.66013e-05 -3.5384 63.546000 Cu 0.508734 0.227738 0.5 999 63.546 0.000109824 -3.53839 63.546000 Cu 0.5839 0.226021 0.75 1010 63.546 0.000778487 -3.53852 63.546000 Cu 0.508734 0.227738 4.33374e-16 1011 63.546 0.000109824 -3.53839 63.546000 Cu 0.5839 0.226021 0.25 1013 63.546 0.000778487 -3.53852 63.546000 Cu 0.658826 0.224112 0.5 590 63.546 0.00248085 -3.5381 63.546000 Cu 0.658826 0.224112 1 591 63.546 0.00248085 -3.5381 63.546000 Cu 0.689041 0.248203 0.75 592 63.546 0.00174173 -3.53818 63.546000 Cu 0.733307 0.221895 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