Number of particles = 1052 A = 1 Angstrom (basic length-scale) H0(1,1) = 20.7161 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 117.481 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.11337 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 0.0104227 0.0142779 0.75 543 63.546 5.87573 -3.53809 63.546000 Cu 0.0104227 0.0142779 0.25 544 63.546 5.87573 -3.53809 63.546000 Cu 0.11973 0.0137472 6.94471e-16 546 63.546 6.071 -3.51414 63.546000 Cu 0.11973 0.0137472 0.5 550 63.546 6.071 -3.51414 63.546000 Cu 0.230199 0.0116176 0.75 569 63.546 4.44015 -3.45378 63.546000 Cu 0.270877 0.0285435 6.2749e-16 573 63.546 0.0312944 -3.52387 63.546000 Cu 0.33369 0.00871686 2.62539e-16 577 63.546 0.135716 -3.5108 63.546000 Cu 0.230199 0.0116176 0.25 578 63.546 4.44015 -3.45378 63.546000 Cu 0.270877 0.0285435 0.5 579 63.546 0.0312944 -3.52387 63.546000 Cu 0.33369 0.00871686 0.5 580 63.546 0.135716 -3.5108 63.546000 Cu 0.375622 0.0263185 0.75 609 63.546 0.0510447 -3.54557 63.546000 Cu 0.375622 0.0263185 0.25 621 63.546 0.0510447 -3.54557 63.546000 Cu 0.439455 0.00765151 0.75 617 63.546 0.0262224 -3.53081 63.546000 Cu 0.439455 0.00765151 0.25 618 63.546 0.0262224 -3.53081 63.546000 Cu 0.481814 0.025208 8.09689e-16 619 63.546 0.0183002 -3.54099 63.546000 Cu 0.546148 0.00718874 1 620 63.546 0.054103 -3.53073 63.546000 Cu 0.481814 0.025208 0.5 623 63.546 0.0183002 -3.54099 63.546000 Cu 0.546148 0.00718874 0.5 624 63.546 0.054103 -3.53073 63.546000 Cu 0.589171 0.0244411 0.75 672 63.546 0.0497516 -3.52685 63.546000 Cu 0.589171 0.0244411 0.25 673 63.546 0.0497516 -3.52685 63.546000 Cu 0.653301 0.00718754 0.75 671 63.546 5.51807 -3.37255 63.546000 Cu 0.700134 0.0229372 1 675 63.546 5.05139 -3.43193 63.546000 Cu 0.653301 0.00718754 0.25 680 63.546 5.51807 -3.37255 63.546000 Cu 0.700134 0.0229372 0.5 681 63.546 5.05139 -3.43193 63.546000 Cu 0.791147 0.0135682 0.75 739 63.546 8.74299 -3.50353 63.546000 Cu 0.791147 0.0135682 0.25 747 63.546 8.74299 -3.50353 63.546000 Cu 0.901083 0.0143665 1 533 63.546 5.67421 -3.53072 63.546000 Cu 0.901083 0.0143665 0.5 534 63.546 5.67421 -3.53072 63.546000 Cu 0.0546343 0.031591 1 545 63.546 0.0194061 -3.53329 63.546000 Cu 0.0546343 0.031591 0.5 549 63.546 0.0194061 -3.53329 63.546000 Cu 0.100792 0.0487235 0.75 561 63.546 0.00504715 -3.53788 63.546000 Cu 0.164076 0.0303772 0.75 570 63.546 0.0258172 -3.53194 63.546000 Cu 0.164076 0.0303772 0.25 571 63.546 0.0258172 -3.53194 63.546000 Cu 0.100792 0.0487235 0.25 574 63.546 0.00504715 -3.53788 63.546000 Cu 0.208426 0.0473586 1 572 63.546 0.00910868 -3.53654 63.546000 Cu 0.208426 0.0473586 0.5 576 63.546 0.00910868 -3.53654 63.546000 Cu 0.314801 0.0455585 0.75 610 63.546 0.00487033 -3.53645 63.546000 Cu 0.314801 0.0455585 0.25 611 63.546 0.00487033 -3.53645 63.546000 Cu 0.420157 0.0437592 2.7208e-16 613 63.546 0.0135033 -3.54222 63.546000 Cu 0.420157 0.0437592 0.5 622 63.546 0.0135033 -3.54222 63.546000 Cu 0.526527 0.0424859 0.75 663 63.546 0.0106454 -3.53772 63.546000 Cu 0.572534 0.0594701 3.94381e-17 667 63.546 0.00200974 -3.53948 63.546000 Cu 0.526527 0.0424859 0.25 676 63.546 0.0106454 -3.53772 63.546000 Cu 0.572534 0.0594701 0.5 677 63.546 0.00200974 -3.53948 63.546000 Cu 0.634157 0.0410705 1.2137e-15 674 63.546 0.0153877 -3.53538 63.546000 Cu 0.634157 0.0410705 0.5 678 63.546 0.0153877 -3.53538 63.546000 Cu 0.679442 0.0577857 0.75 731 63.546 0.0155275 -3.53615 63.546000 Cu 0.740931 0.0392141 0.75 740 63.546 1.48368 -3.44308 63.546000 Cu 0.740931 0.0392141 0.25 741 63.546 1.48368 -3.44308 63.546000 Cu 0.785554 0.0553881 9.11507e-16 742 63.546 0.378552 -3.48662 63.546000 Cu 0.679442 0.0577857 0.25 744 63.546 0.0155275 -3.53615 63.546000 Cu 0.785554 0.0553881 0.5 746 63.546 0.378552 -3.48662 63.546000 Cu 0.992879 0.0498679 9.0574e-16 540 63.546 0.00898583 -3.53136 63.546000 Cu 0.992879 0.0498679 0.5 548 63.546 0.00898583 -3.53136 63.546000 Cu 0.945674 0.0322774 0.75 536 63.546 0.0293639 -3.52578 63.546000 Cu 0.885914 0.0508993 0.75 537 63.546 0.465659 -3.5357 63.546000 Cu 0.885914 0.0508993 0.25 538 63.546 0.465659 -3.5357 63.546000 Cu 0.945674 0.0322774 0.25 547 63.546 0.0293639 -3.52578 63.546000 Cu 0.837331 0.0325683 2.12033e-19 743 63.546 1.61042 -3.52618 63.546000 Cu 0.837331 0.0325683 0.5 748 63.546 1.61042 -3.52618 63.546000 Cu 0.0401524 0.0672659 0.75 562 63.546 0.00332854 -3.53586 63.546000 Cu 0.0401524 0.0672659 0.25 563 63.546 0.00332854 -3.53586 63.546000 Cu 0.0865817 0.0846018 1 564 63.546 0.0016549 -3.53772 63.546000 Cu 0.147027 0.0659166 6.90802e-17 565 63.546 0.0014607 -3.53818 63.546000 Cu 0.0865817 0.0846018 0.5 568 63.546 0.0016549 -3.53772 63.546000 Cu 0.147027 0.0659166 0.5 575 63.546 0.0014607 -3.53818 63.546000 Cu 0.193063 0.0830934 0.75 602 63.546 0.000434687 -3.53889 63.546000 Cu 0.193063 0.0830934 0.25 603 63.546 0.000434687 -3.53889 63.546000 Cu 0.253879 0.0643964 0.75 601 63.546 0.00193864 -3.53812 63.546000 Cu 0.299551 0.0814893 3.47098e-16 605 63.546 0.000466067 -3.53889 63.546000 Cu 0.360026 0.0626759 8.82692e-17 612 63.546 0.0005782 -3.5387 63.546000 Cu 0.253879 0.0643964 0.25 614 63.546 0.00193864 -3.53812 63.546000 Cu 0.299551 0.0814893 0.5 615 63.546 0.000466067 -3.53889 63.546000 Cu 0.360026 0.0626759 0.5 616 63.546 0.0005782 -3.5387 63.546000 Cu 0.405734 0.0797793 0.75 655 63.546 0.000231873 -3.53946 63.546000 Cu 0.465867 0.0610139 0.75 664 63.546 0.00301237 -3.54037 63.546000 Cu 0.465867 0.0610139 0.25 665 63.546 0.00301237 -3.54037 63.546000 Cu 0.512085 0.0780858 1 666 63.546 0.000474231 -3.54042 63.546000 Cu 0.405734 0.0797793 0.25 668 63.546 0.000231873 -3.53946 63.546000 Cu 0.512085 0.0780858 0.5 670 63.546 0.000474231 -3.54042 63.546000 Cu 0.618734 0.0763816 0.75 732 63.546 0.00189487 -3.53957 63.546000 Cu 0.618734 0.0763816 0.25 733 63.546 0.00189487 -3.53957 63.546000 Cu 0.725536 0.0744371 3.18049e-19 735 63.546 0.0120912 -3.53773 63.546000 Cu 0.725536 0.0744371 0.5 745 63.546 0.0120912 -3.53773 63.546000 Cu 0.876559 0.0887142 1.57668e-16 535 63.546 0.0130247 -3.5321 63.546000 Cu 0.933811 0.0686652 1 539 63.546 0.130942 -3.5407 63.546000 Cu 0.876559 0.0887142 0.5 541 63.546 0.0130247 -3.5321 63.546000 Cu 0.933811 0.0686652 0.5 542 63.546 0.130942 -3.5407 63.546000 Cu 0.980654 0.0861632 0.75 553 63.546 0.0369795 -3.54187 63.546000 Cu 0.980654 0.0861632 0.25 566 63.546 0.0369795 -3.54187 63.546000 Cu 0.831168 0.0719022 0.75 807 63.546 0.0771375 -3.51843 63.546000 Cu 0.831168 0.0719022 0.25 814 63.546 0.0771375 -3.51843 63.546000 Cu 0.0268772 0.103532 4.66472e-19 557 63.546 0.0100801 -3.54093 63.546000 Cu 0.0268772 0.103532 0.5 567 63.546 0.0100801 -3.54093 63.546000 Cu 0.132751 0.101854 0.75 593 63.546 0.00101444 -3.53877 63.546000 Cu 0.179015 0.119052 2.64977e-16 597 63.546 0.00054984 -3.53944 63.546000 Cu 0.132751 0.101854 0.25 606 63.546 0.00101444 -3.53877 63.546000 Cu 0.179015 0.119052 0.5 607 63.546 0.00054984 -3.53944 63.546000 Cu 0.0730799 0.120795 0.75 594 63.546 0.00270275 -3.54074 63.546000 Cu 0.0730799 0.120795 0.25 595 63.546 0.00270275 -3.54074 63.546000 Cu 0.239053 0.100246 1.2722e-19 604 63.546 0.000305325 -3.53918 63.546000 Cu 0.239053 0.100246 0.5 608 63.546 0.000305325 -3.53918 63.546000 Cu 0.285286 0.117367 0.75 647 63.546 0.000160132 -3.53953 63.546000 Cu 0.345417 0.0985791 0.75 656 63.546 0.000345727 -3.5393 63.546000 Cu 0.345417 0.0985791 0.25 657 63.546 0.000345727 -3.5393 63.546000 Cu 0.391639 0.115628 1 658 63.546 4.40023e-05 -3.53952 63.546000 Cu 0.285286 0.117367 0.25 660 63.546 0.000160132 -3.53953 63.546000 Cu 0.391639 0.115628 0.5 662 63.546 4.40023e-05 -3.53952 63.546000 Cu 0.451783 0.0968323 3.29287e-16 659 63.546 0.000114488 -3.54009 63.546000 Cu 0.451783 0.0968323 0.5 669 63.546 0.000114488 -3.54009 63.546000 Cu 0.558301 0.0950841 0.75 723 63.546 0.000403259 -3.5401 63.546000 Cu 0.498008 0.113856 0.75 724 63.546 0.000100128 -3.54 63.546000 Cu 0.498008 0.113856 0.25 725 63.546 0.000100128 -3.54 63.546000 Cu 0.558301 0.0950841 0.25 736 63.546 0.000403259 -3.5401 63.546000 Cu 0.604424 0.112041 5.80948e-16 727 63.546 0.000438617 -3.53981 63.546000 Cu 0.664871 0.0932367 1 734 63.546 0.0015119 -3.53955 63.546000 Cu 0.604424 0.112041 0.5 737 63.546 0.000438617 -3.53981 63.546000 Cu 0.664871 0.0932367 0.5 738 63.546 0.0015119 -3.53955 63.546000 Cu 0.710834 0.110105 0.75 799 63.546 0.00102917 -3.53958 63.546000 Cu 0.77127 0.0911613 0.75 808 63.546 0.0067615 -3.53722 63.546000 Cu 0.77127 0.0911613 0.25 809 63.546 0.0067615 -3.53722 63.546000 Cu 0.710834 0.110105 0.25 811 63.546 0.00102917 -3.53958 63.546000 Cu 0.92211 0.105713 0.75 554 63.546 0.00277532 -3.53698 63.546000 Cu 0.92211 0.105713 0.25 555 63.546 0.00277532 -3.53698 63.546000 Cu 0.816873 0.108003 1 810 63.546 0.0028848 -3.53776 63.546000 Cu 0.816873 0.108003 0.5 813 63.546 0.0028848 -3.53776 63.546000 Cu 0.0136153 0.139898 0.75 585 63.546 0.000548141 -3.53989 63.546000 Cu 0.119298 0.137988 1.81055e-16 596 63.546 0.000646498 -3.54043 63.546000 Cu 0.0136153 0.139898 0.25 598 63.546 0.000548141 -3.53989 63.546000 Cu 0.119298 0.137988 0.5 600 63.546 0.000646498 -3.54043 63.546000 Cu 0.225272 0.136198 0.75 648 63.546 0.000338504 -3.5397 63.546000 Cu 0.225272 0.136198 0.25 649 63.546 0.000338504 -3.5397 63.546000 Cu 0.331548 0.134451 7.84521e-18 651 63.546 0.000101961 -3.53969 63.546000 Cu 0.331548 0.134451 0.5 661 63.546 0.000101961 -3.53969 63.546000 Cu 0.437806 0.132672 0.75 715 63.546 7.13523e-05 -3.53961 63.546000 Cu 0.483754 0.149713 7.24834e-16 719 63.546 3.29933e-05 -3.5399 63.546000 Cu 0.544101 0.130871 4.24065e-19 726 63.546 0.000195179 -3.54009 63.546000 Cu 0.437806 0.132672 0.25 728 63.546 7.13523e-05 -3.53961 63.546000 Cu 0.483754 0.149713 0.5 729 63.546 3.29933e-05 -3.5399 63.546000 Cu 0.544101 0.130871 0.5 730 63.546 0.000195179 -3.54009 63.546000 Cu 0.590038 0.147881 0.75 791 63.546 0.00026568 -3.53991 63.546000 Cu 0.590038 0.147881 0.25 804 63.546 0.00026568 -3.53991 63.546000 Cu 0.650412 0.128992 0.75 800 63.546 0.000274059 -3.53976 63.546000 Cu 0.650412 0.128992 0.25 801 63.546 0.000274059 -3.53976 63.546000 Cu 0.696177 0.145959 1 802 63.546 0.000102488 -3.53955 63.546000 Cu 0.756601 0.127025 1 803 63.546 0.000729741 -3.53945 63.546000 Cu 0.696177 0.145959 0.5 806 63.546 0.000102488 -3.53955 63.546000 Cu 0.756601 0.127025 0.5 812 63.546 0.000729741 -3.53945 63.546000 Cu 0.862421 0.124935 0.75 551 63.546 0.000897686 -3.53834 63.546000 Cu 0.907993 0.141935 2.29335e-16 552 63.546 0.000221402 -3.53934 63.546000 Cu 0.96776 0.122799 1.90829e-19 556 63.546 0.000950131 -3.53889 63.546000 Cu 0.862421 0.124935 0.25 558 63.546 0.000897686 -3.53834 63.546000 Cu 0.907993 0.141935 0.5 559 63.546 0.000221402 -3.53934 63.546000 Cu 0.96776 0.122799 0.5 560 63.546 0.000950131 -3.53889 63.546000 Cu 0.802198 0.143989 0.75 875 63.546 0.000391096 -3.53952 63.546000 Cu 0.802198 0.143989 0.25 876 63.546 0.000391096 -3.53952 63.546000 Cu 0.0595043 0.156998 3.4697e-16 589 63.546 0.000273981 -3.53996 63.546000 Cu 0.0595043 0.156998 0.5 599 63.546 0.000273981 -3.53996 63.546000 Cu 0.165371 0.155127 0.75 639 63.546 0.000127878 -3.54019 63.546000 Cu 0.105332 0.174087 0.75 640 63.546 0.000175054 -3.53995 63.546000 Cu 0.105332 0.174087 0.25 641 63.546 0.000175054 -3.53995 63.546000 Cu 0.165371 0.155127 0.25 652 63.546 0.000127878 -3.54019 63.546000 Cu 0.211321 0.172238 1.73803e-16 643 63.546 4.6727e-05 -3.54006 63.546000 Cu 0.27137 0.153301 1 650 63.546 0.000219614 -3.53982 63.546000 Cu 0.211321 0.172238 0.5 653 63.546 4.6727e-05 -3.54006 63.546000 Cu 0.27137 0.153301 0.5 654 63.546 0.000219614 -3.53982 63.546000 Cu 0.317309 0.170392 0.75 707 63.546 0.000107284 -3.53994 63.546000 Cu 0.377556 0.15152 0.75 716 63.546 4.49058e-05 -3.5396 63.546000 Cu 0.377556 0.15152 0.25 717 63.546 4.49058e-05 -3.5396 63.546000 Cu 0.317309 0.170392 0.25 720 63.546 0.000107284 -3.53994 63.546000 Cu 0.423454 0.168574 1 718 63.546 2.8294e-05 -3.53967 63.546000 Cu 0.423454 0.168574 0.5 722 63.546 2.8294e-05 -3.53967 63.546000 Cu 0.529652 0.166745 0.75 792 63.546 4.13411e-05 -3.53997 63.546000 Cu 0.529652 0.166745 0.25 793 63.546 4.13411e-05 -3.53997 63.546000 Cu 0.635843 0.164879 1 795 63.546 0.000135318 -3.53962 63.546000 Cu 0.635843 0.164879 0.5 805 63.546 0.000135318 -3.53962 63.546000 Cu 0.741912 0.162952 0.75 867 63.546 7.59761e-05 -3.53996 63.546000 Cu 0.787702 0.179968 6.93389e-16 871 63.546 0.000141908 -3.54002 63.546000 Cu 0.741912 0.162952 0.25 878 63.546 7.59761e-05 -3.53996 63.546000 Cu 0.787702 0.179968 0.5 879 63.546 0.000141908 -3.54002 63.546000 Cu 0.999468 0.176009 1 588 63.546 0.000147856 -3.53978 63.546000 Cu 0.999468 0.176009 0.5 592 63.546 0.000147856 -3.53978 63.546000 Cu 0.893645 0.178001 0.75 581 63.546 9.66804e-05 -3.53969 63.546000 Cu 0.953718 0.158961 0.75 586 63.546 0.000133529 -3.5397 63.546000 Cu 0.953718 0.158961 0.25 587 63.546 0.000133529 -3.5397 63.546000 Cu 0.893645 0.178001 0.25 590 63.546 9.66804e-05 -3.53969 63.546000 Cu 0.847902 0.160985 3.1031e-16 877 63.546 0.000192035 -3.53976 63.546000 Cu 0.847902 0.160985 0.5 880 63.546 0.000192035 -3.53976 63.546000 Cu 0.0451764 0.193066 0.75 631 63.546 0.00016396 -3.53997 63.546000 Cu 0.0907958 0.210136 5.10172e-16 635 63.546 8.44584e-05 -3.5401 63.546000 Cu 0.151104 0.191169 3.62406e-16 642 63.546 0.000113781 -3.54 63.546000 Cu 0.0451764 0.193066 0.25 644 63.546 0.00016396 -3.53997 63.546000 Cu 0.0907958 0.210136 0.5 645 63.546 8.44584e-05 -3.5401 63.546000 Cu 0.151104 0.191169 0.5 646 63.546 0.000113781 -3.54 63.546000 Cu 0.19676 0.208252 0.75 699 63.546 5.59591e-05 -3.54011 63.546000 Cu 0.19676 0.208252 0.25 712 63.546 5.59591e-05 -3.54011 63.546000 Cu 0.257131 0.189323 0.75 708 63.546 3.70771e-05 -3.53991 63.546000 Cu 0.257131 0.189323 0.25 709 63.546 3.70771e-05 -3.53991 63.546000 Cu 0.302808 0.2064 1 710 63.546 3.1385e-05 -3.53997 63.546000 Cu 0.363153 0.187467 8.18955e-16 711 63.546 5.33943e-05 -3.54013 63.546000 Cu 0.302808 0.2064 0.5 714 63.546 3.1385e-05 -3.53997 63.546000 Cu 0.363153 0.187467 0.5 721 63.546 5.33943e-05 -3.54013 63.546000 Cu 0.469273 0.185616 0.75 783 63.546 5.7779e-05 -3.53975 63.546000 Cu 0.408853 0.204532 0.75 784 63.546 4.20899e-05 -3.5401 63.546000 Cu 0.408853 0.204532 0.25 785 63.546 4.20899e-05 -3.5401 63.546000 Cu 0.514932 0.202649 8.30023e-16 787 63.546 9.07338e-05 -3.53979 63.546000 Cu 0.57547 0.183773 2.33236e-19 794 63.546 8.59373e-05 -3.5399 63.546000 Cu 0.469273 0.185616 0.25 796 63.546 5.7779e-05 -3.53975 63.546000 Cu 0.514932 0.202649 0.5 797 63.546 9.07338e-05 -3.53979 63.546000 Cu 0.57547 0.183773 0.5 798 63.546 8.59373e-05 -3.5399 63.546000 Cu 0.621131 0.200792 0.75 859 63.546 7.11209e-05 -3.53975 63.546000 Cu 0.68162 0.181889 0.75 868 63.546 8.53946e-05 -3.53984 63.546000 Cu 0.68162 0.181889 0.25 869 63.546 8.53946e-05 -3.53984 63.546000 Cu 0.727294 0.198903 2.51047e-16 870 63.546 9.31676e-05 -3.53989 63.546000 Cu 0.621131 0.200792 0.25 872 63.546 7.11209e-05 -3.53975 63.546000 Cu 0.727294 0.198903 0.5 874 63.546 9.31676e-05 -3.53989 63.546000 Cu 0.939309 0.195031 1 583 63.546 6.2985e-05 -3.53979 63.546000 Cu 0.939309 0.195031 0.5 591 63.546 6.2985e-05 -3.53979 63.546000 Cu 0.833357 0.196989 0.75 941 63.546 0.000140196 -3.53985 63.546000 Cu 0.833357 0.196989 0.25 942 63.546 0.000140196 -3.53985 63.546000 Cu 0.98488 0.21207 0.75 632 63.546 3.88099e-05 -3.53984 63.546000 Cu 0.98488 0.21207 0.25 633 63.546 3.88099e-05 -3.53984 63.546000 Cu 0.0303814 0.22912 3.46907e-16 634 63.546 2.66754e-05 -3.53994 63.546000 Cu 0.0303814 0.22912 0.5 638 63.546 2.66754e-05 -3.53994 63.546000 Cu 0.136339 0.227213 0.75 700 63.546 2.44102e-05 -3.54009 63.546000 Cu 0.136339 0.227213 0.25 701 63.546 2.44102e-05 -3.54009 63.546000 Cu 0.242328 0.225335 1 703 63.546 1.28118e-05 -3.54012 63.546000 Cu 0.242328 0.225335 0.5 713 63.546 1.28118e-05 -3.54012 63.546000 Cu 0.348359 0.223467 0.75 775 63.546 1.71557e-05 -3.53991 63.546000 Cu 0.393846 0.240522 1.58516e-16 779 63.546 1.55421e-05 -3.53994 63.546000 Cu 0.348359 0.223467 0.25 788 63.546 1.71557e-05 -3.53991 63.546000 Cu 0.393846 0.240522 0.5 789 63.546 1.55421e-05 -3.53994 63.546000 Cu 0.287844 0.24241 0.75 776 63.546 7.35784e-06 -3.54005 63.546000 Cu 0.287844 0.24241 0.25 777 63.546 7.35784e-06 -3.54005 63.546000 Cu 0.454402 0.221581 1 786 63.546 2.22919e-05 -3.53988 63.546000 Cu 0.454402 0.221581 0.5 790 63.546 2.22919e-05 -3.53988 63.546000 Cu 0.499875 0.238616 0.75 851 63.546 6.05817e-06 -3.53977 63.546000 Cu 0.560453 0.219675 0.75 860 63.546 9.66646e-05 -3.53995 63.546000 Cu 0.560453 0.219675 0.25 861 63.546 9.66646e-05 -3.53995 63.546000 Cu 0.499875 0.238616 0.25 864 63.546 6.05817e-06 -3.53977 63.546000 Cu 0.605928 0.236707 2.88046e-16 862 63.546 4.58807e-05 -3.54003 63.546000 Cu 0.666633 0.217803 2.08683e-16 863 63.546 7.18845e-06 -3.53973 63.546000 Cu 0.605928 0.236707 0.5 866 63.546 4.58807e-05 -3.54003 63.546000 Cu 0.666633 0.217803 0.5 873 63.546 7.18845e-06 -3.53973 63.546000 Cu 0.772818 0.215925 0.75 933 63.546 7.62758e-05 -3.53999 63.546000 Cu 0.712077 0.234823 0.75 934 63.546 1.27151e-05 -3.53989 63.546000 Cu 0.712077 0.234823 0.25 935 63.546 1.27151e-05 -3.53989 63.546000 Cu 0.772818 0.215925 0.25 943 63.546 7.62758e-05 -3.53999 63.546000 Cu 0.878903 0.214015 1 582 63.546 0.000100057 -3.53992 63.546000 Cu 0.878903 0.214015 0.5 584 63.546 0.000100057 -3.53992 63.546000 Cu 0.924393 0.231049 0.75 625 63.546 7.98371e-05 -3.53991 63.546000 Cu 0.924393 0.231049 0.25 636 63.546 7.98371e-05 -3.53991 63.546000 Cu 0.818285 0.232952 1 937 63.546 7.06177e-05 -3.53997 63.546000 Cu 0.818285 0.232952 0.5 944 63.546 7.06177e-05 -3.53997 63.546000 Cu 0.0758879 0.24618 0.75 691 63.546 1.84697e-05 -3.54005 63.546000 Cu 0.0153558 0.265125 0.75 692 63.546 5.50129e-05 -3.5399 63.546000 Cu 0.0153558 0.265125 0.25 693 63.546 5.50129e-05 -3.5399 63.546000 Cu 0.121402 0.263248 4.24065e-20 695 63.546 2.32639e-05 -3.54 63.546000 Cu 0.181854 0.244288 1 702 63.546 7.13418e-06 -3.54004 63.546000 Cu 0.0758879 0.24618 0.25 704 63.546 1.84697e-05 -3.54005 63.546000 Cu 0.121402 0.263248 0.5 705 63.546 2.32639e-05 -3.54 63.546000 Cu 0.181854 0.244288 0.5 706 63.546 7.13418e-06 -3.54004 63.546000 Cu 0.227375 0.261367 0.75 767 63.546 1.25988e-06 -3.54008 63.546000 Cu 0.333341 0.259481 1 778 63.546 1.82495e-05 -3.53998 63.546000 Cu 0.227375 0.261367 0.25 780 63.546 1.25988e-06 -3.54008 63.546000 Cu 0.333341 0.259481 0.5 782 63.546 1.82495e-05 -3.53998 63.546000 Cu 0.439316 0.257572 0.75 852 63.546 2.13565e-05 -3.53991 63.546000 Cu 0.439316 0.257572 0.25 853 63.546 2.13565e-05 -3.53991 63.546000 Cu 0.545324 0.255645 4.82374e-17 855 63.546 2.53401e-05 -3.53982 63.546000 Cu 0.545324 0.255645 0.5 865 63.546 2.53401e-05 -3.53982 63.546000 Cu 0.590755 0.272668 0.75 926 63.546 4.54825e-05 -3.53988 63.546000 Cu 0.590755 0.272668 0.25 927 63.546 4.54825e-05 -3.53988 63.546000 Cu 0.651401 0.253734 0.75 925 63.546 2.84245e-05 -3.53993 63.546000 Cu 0.696845 0.270752 7.76252e-17 929 63.546 3.98509e-05 -3.53986 63.546000 Cu 0.757542 0.251846 1 936 63.546 1.4985e-05 -3.53989 63.546000 Cu 0.651401 0.253734 0.25 938 63.546 2.84245e-05 -3.53993 63.546000 Cu 0.696845 0.270752 0.5 939 63.546 3.98509e-05 -3.53986 63.546000 Cu 0.757542 0.251846 0.5 940 63.546 1.4985e-05 -3.53989 63.546000 Cu 0.863738 0.249975 0.75 626 63.546 3.80254e-05 -3.53976 63.546000 Cu 0.863738 0.249975 0.25 627 63.546 3.80254e-05 -3.53976 63.546000 Cu 0.909198 0.266995 2.08386e-16 628 63.546 1.42698e-05 -3.53978 63.546000 Cu 0.969868 0.248085 1.43673e-16 629 63.546 7.12086e-05 -3.53988 63.546000 Cu 0.909198 0.266995 0.5 630 63.546 1.42698e-05 -3.53978 63.546000 Cu 0.969868 0.248085 0.5 637 63.546 7.12086e-05 -3.53988 63.546000 Cu 0.803005 0.268864 0.75 985 63.546 1.60716e-05 -3.53989 63.546000 Cu 0.803005 0.268864 0.25 993 63.546 1.60716e-05 -3.53989 63.546000 Cu 9.48338e-05 0.301077 2.12033e-20 688 63.546 2.67737e-05 -3.53999 63.546000 Cu 0.0608351 0.28218 4.03922e-17 694 63.546 5.34675e-05 -3.54 63.546000 Cu 9.48338e-05 0.301077 0.5 697 63.546 2.67737e-05 -3.53999 63.546000 Cu 0.0608351 0.28218 0.5 698 63.546 5.34675e-05 -3.54 63.546000 Cu 0.106303 0.299256 0.75 759 63.546 6.94007e-05 -3.54007 63.546000 Cu 0.166908 0.280324 0.75 768 63.546 3.99999e-05 -3.54005 63.546000 Cu 0.166908 0.280324 0.25 769 63.546 3.99999e-05 -3.54005 63.546000 Cu 0.106303 0.299256 0.25 772 63.546 6.94007e-05 -3.54007 63.546000 Cu 0.212393 0.297416 1 770 63.546 7.81987e-05 -3.54016 63.546000 Cu 0.272889 0.27845 1.73188e-16 771 63.546 3.60923e-05 -3.54018 63.546000 Cu 0.212393 0.297416 0.5 774 63.546 7.81987e-05 -3.54016 63.546000 Cu 0.272889 0.27845 0.5 781 63.546 3.60923e-05 -3.54018 63.546000 Cu 0.37881 0.276546 0.75 843 63.546 3.88088e-05 -3.53991 63.546000 Cu 0.318363 0.295544 0.75 844 63.546 0.000146317 -3.5402 63.546000 Cu 0.318363 0.295544 0.25 845 63.546 0.000146317 -3.5402 63.546000 Cu 0.37881 0.276546 0.25 856 63.546 3.88088e-05 -3.53991 63.546000 Cu 0.424216 0.293606 3.2053e-16 847 63.546 5.96225e-05 -3.53984 63.546000 Cu 0.48475 0.274611 1.73803e-16 854 63.546 2.52643e-05 -3.53976 63.546000 Cu 0.424216 0.293606 0.5 857 63.546 5.96225e-05 -3.53984 63.546000 Cu 0.48475 0.274611 0.5 858 63.546 2.52643e-05 -3.53976 63.546000 Cu 0.530121 0.291638 0.75 917 63.546 6.26078e-05 -3.53973 63.546000 Cu 0.530121 0.291638 0.25 930 63.546 6.26078e-05 -3.53973 63.546000 Cu 0.636134 0.289685 8.11237e-17 928 63.546 6.71483e-05 -3.53981 63.546000 Cu 0.636134 0.289685 0.5 932 63.546 6.71483e-05 -3.53981 63.546000 Cu 0.742243 0.287767 0.75 986 63.546 5.48497e-05 -3.53985 63.546000 Cu 0.742243 0.287767 0.25 987 63.546 5.48497e-05 -3.53985 63.546000 Cu 0.954658 0.284028 0.75 684 63.546 2.07657e-05 -3.53992 63.546000 Cu 0.954658 0.284028 0.25 696 63.546 2.07657e-05 -3.53992 63.546000 Cu 0.84844 0.285886 3.46949e-16 989 63.546 1.78228e-05 -3.53995 63.546000 Cu 0.84844 0.285886 0.5 994 63.546 1.78228e-05 -3.53995 63.546000 Cu 0.893851 0.302913 0.75 685 63.546 2.94021e-05 -3.53993 63.546000 Cu 0.893851 0.302913 0.25 686 63.546 2.94021e-05 -3.53993 63.546000 Cu 0.0455277 0.31814 0.75 760 63.546 2.73732e-05 -3.54002 63.546000 Cu 0.0455277 0.31814 0.25 761 63.546 2.73732e-05 -3.54002 63.546000 Cu 0.151749 0.316342 1 763 63.546 8.21455e-05 -3.53994 63.546000 Cu 0.151749 0.316342 0.5 773 63.546 8.21455e-05 -3.53994 63.546000 Cu 0.257842 0.314521 0.75 835 63.546 0.000195101 -3.54028 63.546000 Cu 0.303255 0.331647 1.00164e-16 839 63.546 0.000622746 -3.54053 63.546000 Cu 0.363759 0.312641 3.50702e-17 846 63.546 0.000314328 -3.5401 63.546000 Cu 0.257842 0.314521 0.25 848 63.546 0.000195101 -3.54028 63.546000 Cu 0.303255 0.331647 0.5 849 63.546 0.000622746 -3.54053 63.546000 Cu 0.363759 0.312641 0.5 850 63.546 0.000314328 -3.5401 63.546000 Cu 0.409065 0.329732 0.75 909 63.546 0.000475911 -3.53995 63.546000 Cu 0.469539 0.310659 0.75 918 63.546 8.67117e-05 -3.53968 63.546000 Cu 0.469539 0.310659 0.25 919 63.546 8.67117e-05 -3.53968 63.546000 Cu 0.514745 0.32769 2.75642e-19 920 63.546 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Cu 0.832957 0.32179 0.75 1023 63.546 9.78847e-05 -3.54 63.546000 Cu 0.832957 0.32179 0.25 1030 63.546 9.78847e-05 -3.54 63.546000 Cu 0.0299374 0.35405 1.69626e-19 755 63.546 5.3205e-05 -3.53993 63.546000 Cu 0.090934 0.335217 4.96793e-17 762 63.546 4.69519e-05 -3.53992 63.546000 Cu 0.0299374 0.35405 0.5 765 63.546 5.3205e-05 -3.53993 63.546000 Cu 0.090934 0.335217 0.5 766 63.546 4.69519e-05 -3.53992 63.546000 Cu 0.136294 0.352302 0.75 827 63.546 7.53739e-05 -3.53988 63.546000 Cu 0.197163 0.333441 0.75 836 63.546 0.000104436 -3.5399 63.546000 Cu 0.197163 0.333441 0.25 837 63.546 0.000104436 -3.5399 63.546000 Cu 0.136294 0.352302 0.25 840 63.546 7.53739e-05 -3.53988 63.546000 Cu 0.242551 0.350564 1 838 63.546 0.000181503 -3.5399 63.546000 Cu 0.242551 0.350564 0.5 842 63.546 0.000181503 -3.5399 63.546000 Cu 0.34862 0.348801 0.75 910 63.546 0.00182543 -3.54076 63.546000 Cu 0.34862 0.348801 0.25 911 63.546 0.00182543 -3.54076 63.546000 Cu 0.45424 0.346824 1 913 63.546 0.000672646 -3.53954 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0.00158493 -3.53912 63.546000 Cu 0.755639 0.376492 0.5 1028 63.546 0.00158493 -3.53912 63.546000 Cu 0.862205 0.374623 0.75 749 63.546 0.000350631 -3.54007 63.546000 Cu 0.907368 0.391609 1.11126e-16 750 63.546 0.000419178 -3.54042 63.546000 Cu 0.968764 0.372855 5.72488e-19 754 63.546 0.000115801 -3.54014 63.546000 Cu 0.862205 0.374623 0.25 756 63.546 0.000350631 -3.54007 63.546000 Cu 0.907368 0.391609 0.5 757 63.546 0.000419178 -3.54042 63.546000 Cu 0.968764 0.372855 0.5 758 63.546 0.000115801 -3.54014 63.546000 Cu 0.800583 0.393381 0.75 1047 63.546 0.00196422 -3.53945 63.546000 Cu 0.800583 0.393381 0.25 1048 63.546 0.00196422 -3.53945 63.546000 Cu 0.0589482 0.407 6.36098e-20 823 63.546 0.000238103 -3.53995 63.546000 Cu 0.0589482 0.407 0.5 833 63.546 0.000238103 -3.53995 63.546000 Cu 0.165328 0.40532 0.75 893 63.546 0.000358945 -3.53922 63.546000 Cu 0.165328 0.40532 0.25 906 63.546 0.000358945 -3.53922 63.546000 Cu 0.103551 0.424119 0.75 894 63.546 0.000844889 -3.53929 63.546000 Cu 0.103551 0.424119 0.25 895 63.546 0.000844889 -3.53929 63.546000 Cu 0.209912 0.422424 1.45221e-16 897 63.546 0.00162539 -3.53832 63.546000 Cu 0.271881 0.403712 1.71322e-17 904 63.546 0.000433471 -3.53934 63.546000 Cu 0.209912 0.422424 0.5 907 63.546 0.00162539 -3.53832 63.546000 Cu 0.271881 0.403712 0.5 908 63.546 0.000433471 -3.53934 63.546000 Cu 0.316788 0.420889 0.75 953 63.546 0.00135593 -3.53897 63.546000 Cu 0.378429 0.40217 0.75 962 63.546 0.0012324 -3.53884 63.546000 Cu 0.378429 0.40217 0.25 963 63.546 0.0012324 -3.53884 63.546000 Cu 0.316788 0.420889 0.25 966 63.546 0.00135593 -3.53897 63.546000 Cu 0.423731 0.419477 6.92287e-17 964 63.546 0.00264995 -3.53761 63.546000 Cu 0.484581 0.400571 6.44579e-17 965 63.546 0.0452671 -3.54298 63.546000 Cu 0.423731 0.419477 0.5 968 63.546 0.00264995 -3.53761 63.546000 Cu 0.484581 0.400571 0.5 975 63.546 0.0452671 -3.54298 63.546000 Cu 0.588643 0.397883 0.75 1007 63.546 0.0160793 -3.52978 63.546000 Cu 0.530173 0.418034 0.75 1008 63.546 0.141523 -3.54367 63.546000 Cu 0.530173 0.418034 0.25 1009 63.546 0.141523 -3.54367 63.546000 Cu 0.588643 0.397883 0.25 1020 63.546 0.0160793 -3.52978 63.546000 Cu 0.633031 0.414666 2.22995e-16 1011 63.546 0.0812491 -3.51612 63.546000 Cu 0.694072 0.395414 8.20991e-17 1018 63.546 0.00810598 -3.53657 63.546000 Cu 0.633031 0.414666 0.5 1021 63.546 0.0812491 -3.51612 63.546000 Cu 0.694072 0.395414 0.5 1022 63.546 0.00810598 -3.53657 63.546000 Cu 0.738781 0.412159 0.75 1039 63.546 0.0124787 -3.53676 63.546000 Cu 0.738781 0.412159 0.25 1050 63.546 0.0124787 -3.53676 63.546000 Cu 0.952511 0.408644 0.75 820 63.546 0.000980722 -3.5407 63.546000 Cu 0.952511 0.408644 0.25 821 63.546 0.000980722 -3.5407 63.546000 Cu 0.845645 0.410267 3.02337e-16 1049 63.546 0.00225533 -3.53968 63.546000 Cu 0.845645 0.410267 0.5 1052 63.546 0.00225533 -3.53968 63.546000 Cu 0.041283 0.442971 0.75 885 63.546 0.0105942 -3.5424 63.546000 Cu 0.147315 0.441251 4.26822e-17 896 63.546 0.00214718 -3.53775 63.546000 Cu 0.041283 0.442971 0.25 898 63.546 0.0105942 -3.5424 63.546000 Cu 0.147315 0.441251 0.5 900 63.546 0.00214718 -3.53775 63.546000 Cu 0.253872 0.439505 0.75 954 63.546 0.00565247 -3.5371 63.546000 Cu 0.253872 0.439505 0.25 955 63.546 0.00565247 -3.5371 63.546000 Cu 0.361396 0.438081 9.89132e-17 957 63.546 0.00402695 -3.53844 63.546000 Cu 0.361396 0.438081 0.5 967 63.546 0.00402695 -3.53844 63.546000 Cu 0.469119 0.436868 0.75 999 63.546 0.00612169 -3.53574 63.546000 Cu 0.514369 0.454341 2.48375e-16 1003 63.546 0.0149677 -3.53205 63.546000 Cu 0.576316 0.435695 2.59316e-17 1010 63.546 0.435419 -3.54236 63.546000 Cu 0.469119 0.436868 0.25 1012 63.546 0.00612169 -3.53574 63.546000 Cu 0.514369 0.454341 0.5 1013 63.546 0.0149677 -3.53205 63.546000 Cu 0.576316 0.435695 0.5 1014 63.546 0.435419 -3.54236 63.546000 Cu 0.622696 0.453716 0.75 1032 63.546 1.24959 -3.53729 63.546000 Cu 0.677184 0.431187 0.75 1040 63.546 0.348791 -3.49151 63.546000 Cu 0.677184 0.431187 0.25 1041 63.546 0.348791 -3.49151 63.546000 Cu 0.720354 0.447515 1 1042 63.546 1.15113 -3.45912 63.546000 Cu 0.78347 0.428855 1.65767e-16 1043 63.546 0.0150999 -3.53678 63.546000 Cu 0.622696 0.453716 0.25 1044 63.546 1.24959 -3.53729 63.546000 Cu 0.720354 0.447515 0.5 1046 63.546 1.15113 -3.45912 63.546000 Cu 0.78347 0.428855 0.5 1051 63.546 0.0150999 -3.53678 63.546000 Cu 0.997312 0.425759 1 822 63.546 0.00370176 -3.54128 63.546000 Cu 0.997312 0.425759 0.5 826 63.546 0.00370176 -3.54128 63.546000 Cu 0.827087 0.445621 0.25 148 63.546 0.0174498 -3.53498 63.546000 Cu 0.827087 0.445621 0.75 149 63.546 0.0174498 -3.53498 63.546000 Cu 0.890511 0.42721 0.75 815 63.546 0.00378456 -3.53977 63.546000 Cu 0.93428 0.444283 3.49197e-16 817 63.546 0.00514923 -3.54008 63.546000 Cu 0.890511 0.42721 0.25 824 63.546 0.00378456 -3.53977 63.546000 Cu 0.93428 0.444283 0.5 825 63.546 0.00514923 -3.54008 63.546000 Cu 0.0192233 0.478764 1 888 63.546 0.0210097 -3.54261 63.546000 Cu 0.0842745 0.460306 1.7374e-16 889 63.546 0.0303327 -3.54448 63.546000 Cu 0.0192233 0.478764 0.5 892 63.546 0.0210097 -3.54261 63.546000 Cu 0.0842745 0.460306 0.5 899 63.546 0.0303327 -3.54448 63.546000 Cu 0.189973 0.458347 0.75 946 63.546 0.00889073 -3.53317 63.546000 Cu 0.126252 0.477805 0.75 947 63.546 0.0900348 -3.54692 63.546000 Cu 0.126252 0.477805 0.25 948 63.546 0.0900348 -3.54692 63.546000 Cu 0.189973 0.458347 0.25 958 63.546 0.00889073 -3.53317 63.546000 Cu 0.231258 0.475357 1.64559e-16 950 63.546 0.0530054 -3.51508 63.546000 Cu 0.296872 0.456535 1.97021e-16 956 63.546 0.0151443 -3.53363 63.546000 Cu 0.231258 0.475357 0.5 959 63.546 0.0530054 -3.51508 63.546000 Cu 0.296872 0.456535 0.5 960 63.546 0.0151443 -3.53363 63.546000 Cu 0.338376 0.473508 0.75 995 63.546 0.0393205 -3.52506 63.546000 Cu 0.338376 0.473508 0.25 1004 63.546 0.0393205 -3.52506 63.546000 Cu 0.40533 0.455283 0.75 1000 63.546 0.00797743 -3.53748 63.546000 Cu 0.40533 0.455283 0.25 1001 63.546 0.00797743 -3.53748 63.546000 Cu 0.448832 0.472428 4.24065e-19 1002 63.546 0.0228604 -3.5328 63.546000 Cu 0.448832 0.472428 0.5 1006 63.546 0.0228604 -3.5328 63.546000 Cu 0.558691 0.472021 0.75 1033 63.546 0.0338832 -3.52645 63.546000 Cu 0.558691 0.472021 0.25 1034 63.546 0.0338832 -3.52645 63.546000 Cu 0.76074 0.463817 0.25 99 63.546 4.86146 -3.44582 63.546000 Cu 0.76074 0.463817 0.75 460 63.546 4.86146 -3.44582 63.546000 Cu 0.668097 0.472258 1.61124e-16 1036 63.546 5.00877 -3.52997 63.546000 Cu 0.668097 0.472258 0.5 1045 63.546 5.00877 -3.52997 63.546000 Cu 0.798465 0.480376 0.5 92 63.546 5.62515 -3.45896 63.546000 Cu 0.798465 0.480376 3.46801e-16 451 63.546 5.62515 -3.45896 63.546000 Cu 0.868569 0.462526 3.31619e-16 816 63.546 0.0125353 -3.53516 63.546000 Cu 0.868569 0.462526 0.5 818 63.546 0.0125353 -3.53516 63.546000 Cu 0.910786 0.479307 0.75 881 63.546 0.0388048 -3.5283 63.546000 Cu 0.977059 0.461412 0.75 886 63.546 0.00901902 -3.53983 63.546000 Cu 0.977059 0.461412 0.25 887 63.546 0.00901902 -3.53983 63.546000 Cu 0.910786 0.479307 0.25 890 63.546 0.0388048 -3.5283 63.546000 Cu 0.0590173 0.496407 0.75 945 63.546 0.0272916 -3.53095 63.546000 Cu 0.165027 0.495517 1.91635e-16 949 63.546 0.196208 -3.50323 63.546000 Cu 0.0590173 0.496407 0.25 951 63.546 0.0272916 -3.53095 63.546000 Cu 0.165027 0.495517 0.5 952 63.546 0.196208 -3.50323 63.546000 Cu 0.0981801 0.514181 0.5 1 63.546 5.701 -3.53102 63.546000 Cu 0.0981801 0.514181 4.24065e-19 2 63.546 5.701 -3.53102 63.546000 Cu 0.343985 0.507337 0.25 91 63.546 5.1201 -3.38751 63.546000 Cu 0.343985 0.507337 0.75 98 63.546 5.1201 -3.38751 63.546000 Cu 0.268438 0.492366 0.75 996 63.546 4.41439 -3.44054 63.546000 Cu 0.268438 0.492366 0.25 997 63.546 4.41439 -3.44054 63.546000 Cu 0.380468 0.490113 8.90537e-19 998 63.546 6.18128 -3.50978 63.546000 Cu 0.380468 0.490113 0.5 1005 63.546 6.18128 -3.50978 63.546000 Cu 0.208399 0.513221 0.25 147 63.546 8.84462 -3.51008 63.546000 Cu 0.208399 0.513221 0.75 155 63.546 8.84462 -3.51008 63.546000 Cu 0.5587 0.507661 0.25 48 63.546 0.0251377 -3.53101 63.546000 Cu 0.5587 0.507661 0.75 49 63.546 0.0251377 -3.53101 63.546000 Cu 0.45166 0.507272 0.5 50 63.546 0.0441033 -3.53136 63.546000 Cu 0.45166 0.507272 2.9286e-16 52 63.546 0.0441033 -3.53136 63.546000 Cu 0.490348 0.489767 0.75 1031 63.546 5.91673 -3.53825 63.546000 Cu 0.490348 0.489767 0.25 1037 63.546 5.91673 -3.53825 63.546000 Cu 0.768288 0.511584 0.25 19 63.546 4.43319 -3.452 63.546000 Cu 0.664655 0.508682 0.5 20 63.546 0.14419 -3.50977 63.546000 Cu 0.768288 0.511584 0.75 26 63.546 4.43319 -3.452 63.546000 Cu 0.664655 0.508682 2.19433e-16 27 63.546 0.14419 -3.50977 63.546000 Cu 0.710911 0.491113 0.25 455 63.546 8.35803 -3.52235 63.546000 Cu 0.710911 0.491113 0.75 459 63.546 8.35803 -3.52235 63.546000 Cu 0.600092 0.490003 1.18908e-16 1035 63.546 5.70246 -3.53249 63.546000 Cu 0.600092 0.490003 0.5 1038 63.546 5.70246 -3.53249 63.546000 Cu 0.988708 0.514211 0.25 4 63.546 5.89898 -3.53802 63.546000 Cu 0.988708 0.514211 0.75 5 63.546 5.89898 -3.53802 63.546000 Cu 0.879261 0.513738 0.5 6 63.546 6.09774 -3.51303 63.546000 Cu 0.879261 0.513738 1 8 63.546 6.09774 -3.51303 63.546000 Cu 0.843658 0.496418 0.75 882 63.546 4.71125 -3.40374 63.546000 Cu 0.843658 0.496418 0.25 883 63.546 4.71125 -3.40374 63.546000 Cu 0.951757 0.496629 7.39146e-17 884 63.546 0.0402845 -3.53187 63.546000 Cu 0.951757 0.496629 0.5 891 63.546 0.0402845 -3.53187 63.546000 Cu 0.054627 0.532126 0.25 3 63.546 0.030553 -3.52582 63.546000 Cu 0.054627 0.532126 0.75 13 63.546 0.030553 -3.52582 63.546000 Cu 0.163481 0.53221 0.5 153 63.546 4.70248 -3.52652 63.546000 Cu 0.163481 0.53221 3.70845e-17 156 63.546 4.70248 -3.52652 63.546000 Cu 0.297584 0.523248 0.5 96 63.546 5.28742 -3.44345 63.546000 Cu 0.365196 0.541253 0.5 97 63.546 0.0150012 -3.53559 63.546000 Cu 0.297584 0.523248 3.92557e-16 100 63.546 5.28742 -3.44345 63.546000 Cu 0.365196 0.541253 8.34773e-17 107 63.546 0.0150012 -3.53559 63.546000 Cu 0.258236 0.539616 0.25 151 63.546 4.80773 -3.44023 63.546000 Cu 0.258236 0.539616 0.75 152 63.546 4.80773 -3.44023 63.546000 Cu 0.516942 0.525239 0.5 51 63.546 0.0171444 -3.5417 63.546000 Cu 0.579862 0.543731 0.5 56 63.546 0.0181047 -3.54318 63.546000 Cu 0.516942 0.525239 1.60933e-17 59 63.546 0.0171444 -3.5417 63.546000 Cu 0.579862 0.543731 1.63689e-16 60 63.546 0.0181047 -3.54318 63.546000 Cu 0.473119 0.542537 0.25 93 63.546 0.00909641 -3.53877 63.546000 Cu 0.40912 0.524558 0.25 94 63.546 0.0424945 -3.52809 63.546000 Cu 0.40912 0.524558 0.75 95 63.546 0.0424945 -3.52809 63.546000 Cu 0.473119 0.542537 0.75 106 63.546 0.00909641 -3.53877 63.546000 Cu 0.728489 0.528532 0.5 24 63.546 0.0327518 -3.52252 63.546000 Cu 0.728489 0.528532 3.04288e-16 28 63.546 0.0327518 -3.52252 63.546000 Cu 0.623529 0.526292 0.25 47 63.546 0.0566896 -3.54599 63.546000 Cu 0.623529 0.526292 0.75 58 63.546 0.0566896 -3.54599 63.546000 Cu 0.94531 0.531537 0.5 7 63.546 0.020631 -3.53332 63.546000 Cu 0.94531 0.531537 2.14556e-16 14 63.546 0.020631 -3.53332 63.546000 Cu 0.835478 0.530354 0.25 22 63.546 0.0278375 -3.53038 63.546000 Cu 0.835478 0.530354 0.75 23 63.546 0.0278375 -3.53038 63.546000 Cu 0.115874 0.550637 0.25 9 63.546 0.735818 -3.53607 63.546000 Cu 0.115874 0.550637 0.75 10 63.546 0.735818 -3.53607 63.546000 Cu 0.00833104 0.549762 0.5 11 63.546 0.0117201 -3.53162 63.546000 Cu 0.0680782 0.568519 0.5 12 63.546 0.218742 -3.5409 63.546000 Cu 0.00833104 0.549762 3.39252e-19 15 63.546 0.0117201 -3.53162 63.546000 Cu 0.0680782 0.568519 4.68359e-16 17 63.546 0.218742 -3.5409 63.546000 Cu 0.170023 0.572217 0.25 215 63.546 0.144106 -3.50846 63.546000 Cu 0.170023 0.572217 0.75 220 63.546 0.144106 -3.50846 63.546000 Cu 0.321378 0.558072 0.25 150 63.546 0.01908 -3.53597 63.546000 Cu 0.215108 0.555838 0.5 154 63.546 0.632071 -3.47413 63.546000 Cu 0.275787 0.574748 0.5 160 63.546 0.0150235 -3.53754 63.546000 Cu 0.321378 0.558072 0.75 162 63.546 0.01908 -3.53597 63.546000 Cu 0.215108 0.555838 3.60456e-19 163 63.546 0.632071 -3.47413 63.546000 Cu 0.275787 0.574748 1.20392e-16 164 63.546 0.0150235 -3.53754 63.546000 Cu 0.535054 0.561012 0.25 102 63.546 0.00526776 -3.54101 63.546000 Cu 0.535054 0.561012 0.75 103 63.546 0.00526776 -3.54101 63.546000 Cu 0.42829 0.559595 0.5 104 63.546 0.00332514 -3.53971 63.546000 Cu 0.42829 0.559595 3.27866e-16 108 63.546 0.00332514 -3.53971 63.546000 Cu 0.685452 0.545558 0.25 54 63.546 0.00556015 -3.53612 63.546000 Cu 0.685452 0.545558 0.75 55 63.546 0.00556015 -3.53612 63.546000 Cu 0.792037 0.547334 0.5 25 63.546 0.00999723 -3.53601 63.546000 Cu 0.792037 0.547334 1.2635e-16 35 63.546 0.00999723 -3.53601 63.546000 Cu 0.747297 0.564377 0.25 53 63.546 0.00269454 -3.53789 63.546000 Cu 0.641014 0.562667 0.5 57 63.546 0.00114534 -3.53864 63.546000 Cu 0.747297 0.564377 0.75 66 63.546 0.00269454 -3.53789 63.546000 Cu 0.641014 0.562667 3.49812e-16 67 63.546 0.00114534 -3.53864 63.546000 Cu 0.899977 0.548674 0.25 21 63.546 0.00642091 -3.53806 63.546000 Cu 0.961503 0.567194 0.25 30 63.546 0.00394123 -3.53551 63.546000 Cu 0.961503 0.567194 0.75 31 63.546 0.00394123 -3.53551 63.546000 Cu 0.854345 0.565869 0.5 32 63.546 0.00208219 -3.53828 63.546000 Cu 0.899977 0.548674 0.75 34 63.546 0.00642091 -3.53806 63.546000 Cu 0.854345 0.565869 1.95579e-16 36 63.546 0.00208219 -3.53828 63.546000 Cu 0.124746 0.588918 0.5 16 63.546 0.0267863 -3.52744 63.546000 Cu 0.124746 0.588918 7.49324e-17 18 63.546 0.0267863 -3.52744 63.546000 Cu 0.0211918 0.586076 0.25 29 63.546 0.0650534 -3.54214 63.546000 Cu 0.0793482 0.605836 0.25 37 63.546 0.00474787 -3.53534 63.546000 Cu 0.0793482 0.605836 0.75 38 63.546 0.00474787 -3.53534 63.546000 Cu 0.0211918 0.586076 0.75 41 63.546 0.0650534 -3.54214 63.546000 Cu 0.382679 0.576582 0.25 158 63.546 0.00276348 -3.53968 63.546000 Cu 0.382679 0.576582 0.75 159 63.546 0.00276348 -3.53968 63.546000 Cu 0.336591 0.593472 0.5 161 63.546 0.00240238 -3.53972 63.546000 Cu 0.336591 0.593472 5.60402e-17 171 63.546 0.00240238 -3.53972 63.546000 Cu 0.230059 0.591446 0.25 217 63.546 0.0102112 -3.5372 63.546000 Cu 0.230059 0.591446 0.75 218 63.546 0.0102112 -3.5372 63.546000 Cu 0.595684 0.579788 0.25 101 63.546 0.000352807 -3.53945 63.546000 Cu 0.489398 0.578153 0.5 105 63.546 0.00125937 -3.54049 63.546000 Cu 0.54979 0.596883 0.5 112 63.546 0.000110359 -3.53984 63.546000 Cu 0.595684 0.579788 0.75 114 63.546 0.000352807 -3.53945 63.546000 Cu 0.489398 0.578153 3.23562e-17 115 63.546 0.00125937 -3.54049 63.546000 Cu 0.54979 0.596883 2.62772e-16 116 63.546 0.000110359 -3.53984 63.546000 Cu 0.443318 0.595208 0.25 157 63.546 0.000473463 -3.54017 63.546000 Cu 0.443318 0.595208 0.75 170 63.546 0.000473463 -3.54017 63.546000 Cu 0.701939 0.581465 0.5 64 63.546 0.000598412 -3.53866 63.546000 Cu 0.762583 0.6002 0.5 65 63.546 0.000282548 -3.5391 63.546000 Cu 0.701939 0.581465 2.38304e-16 68 63.546 0.000598412 -3.53866 63.546000 Cu 0.762583 0.6002 3.08296e-17 75 63.546 0.000282548 -3.5391 63.546000 Cu 0.656156 0.598564 0.25 110 63.546 0.000159372 -3.53925 63.546000 Cu 0.656156 0.598564 0.75 111 63.546 0.000159372 -3.53925 63.546000 Cu 0.91511 0.584537 0.5 33 63.546 0.00183642 -3.53753 63.546000 Cu 0.974858 0.603459 0.5 39 63.546 0.020019 -3.54162 63.546000 Cu 0.91511 0.584537 3.39252e-19 42 63.546 0.00183642 -3.53753 63.546000 Cu 0.974858 0.603459 1.87755e-16 43 63.546 0.020019 -3.54162 63.546000 Cu 0.86892 0.6018 0.25 61 63.546 0.00101653 -3.5387 63.546000 Cu 0.808516 0.583045 0.25 62 63.546 0.000625844 -3.5387 63.546000 Cu 0.808516 0.583045 0.75 63 63.546 0.000625844 -3.5387 63.546000 Cu 0.86892 0.6018 0.75 74 63.546 0.00101653 -3.5387 63.546000 Cu 0.0336562 0.622871 0.5 40 63.546 0.00131567 -3.53842 63.546000 Cu 0.0336562 0.622871 3.56003e-17 45 63.546 0.00131567 -3.53842 63.546000 Cu 0.184519 0.608241 0.5 219 63.546 0.00515667 -3.53733 63.546000 Cu 0.184519 0.608241 1 227 63.546 0.00515667 -3.53733 63.546000 Cu 0.138916 0.625128 0.25 279 63.546 0.00203192 -3.53821 63.546000 Cu 0.138916 0.625128 0.75 284 63.546 0.00203192 -3.53821 63.546000 Cu 0.397174 0.612197 0.5 168 63.546 0.000415923 -3.54002 63.546000 Cu 0.397174 0.612197 1.77005e-16 172 63.546 0.000415923 -3.54002 63.546000 Cu 0.290641 0.610341 0.25 216 63.546 0.00190067 -3.53941 63.546000 Cu 0.351097 0.629163 0.25 222 63.546 0.000450408 -3.53985 63.546000 Cu 0.351097 0.629163 0.75 223 63.546 0.000450408 -3.53985 63.546000 Cu 0.244796 0.62724 0.5 224 63.546 0.00134481 -3.53928 63.546000 Cu 0.290641 0.610341 0.75 226 63.546 0.00190067 -3.53941 63.546000 Cu 0.244796 0.62724 3.60456e-19 228 63.546 0.00134481 -3.53928 63.546000 Cu 0.563921 0.632705 0.25 165 63.546 5.07086e-05 -3.53948 63.546000 Cu 0.503676 0.613939 0.25 166 63.546 0.000100608 -3.53979 63.546000 Cu 0.503676 0.613939 0.75 167 63.546 0.000100608 -3.53979 63.546000 Cu 0.45753 0.630964 0.5 169 63.546 0.000118716 -3.53977 63.546000 Cu 0.563921 0.632705 0.75 178 63.546 5.07086e-05 -3.53948 63.546000 Cu 0.45753 0.630964 5.53299e-16 179 63.546 0.000118716 -3.53977 63.546000 Cu 0.716459 0.617332 0.25 109 63.546 0.000171995 -3.53941 63.546000 Cu 0.610077 0.615644 0.5 113 63.546 4.22526e-05 -3.53946 63.546000 Cu 0.776401 0.63616 0.25 118 63.546 0.00027997 -3.53955 63.546000 Cu 0.776401 0.63616 0.75 119 63.546 0.00027997 -3.53955 63.546000 Cu 0.670213 0.634431 0.5 120 63.546 8.14811e-05 -3.53947 63.546000 Cu 0.716459 0.617332 0.75 122 63.546 0.000171995 -3.53941 63.546000 Cu 0.610077 0.615644 1.62226e-16 123 63.546 4.22526e-05 -3.53946 63.546000 Cu 0.670213 0.634431 1.56247e-16 124 63.546 8.14811e-05 -3.53947 63.546000 Cu 0.928599 0.620739 0.25 70 63.546 0.00630251 -3.5409 63.546000 Cu 0.928599 0.620739 0.75 71 63.546 0.00630251 -3.5409 63.546000 Cu 0.822692 0.619007 0.5 72 63.546 0.000562879 -3.53923 63.546000 Cu 0.822692 0.619007 2.74604e-16 76 63.546 0.000562879 -3.53923 63.546000 Cu 0.0931576 0.642081 0.5 44 63.546 0.000710524 -3.53906 63.546000 Cu 0.0931576 0.642081 8.7103e-17 46 63.546 0.000710524 -3.53906 63.546000 Cu 0.0473382 0.659079 0.25 78 63.546 0.00025292 -3.53946 63.546000 Cu 0.0473382 0.659079 0.75 79 63.546 0.00025292 -3.53946 63.546000 Cu 0.198957 0.644168 0.25 281 63.546 0.000830664 -3.53943 63.546000 Cu 0.198957 0.644168 0.75 282 63.546 0.000830664 -3.53943 63.546000 Cu 0.1531 0.66113 0.5 283 63.546 0.000527079 -3.53963 63.546000 Cu 0.1531 0.66113 4.45523e-16 291 63.546 0.000527079 -3.53963 63.546000 Cu 0.305094 0.646121 0.5 225 63.546 0.000385596 -3.53965 63.546000 Cu 0.365412 0.664961 0.5 232 63.546 0.000100849 -3.53974 63.546000 Cu 0.305094 0.646121 1.41701e-16 235 63.546 0.000385596 -3.53965 63.546000 Cu 0.365412 0.664961 1 236 63.546 0.000100849 -3.53974 63.546000 Cu 0.259159 0.663088 0.25 280 63.546 0.000286682 -3.53968 63.546000 Cu 0.259159 0.663088 0.75 290 63.546 0.000286682 -3.53968 63.546000 Cu 0.517779 0.649746 0.5 176 63.546 4.41715e-05 -3.53967 63.546000 Cu 0.517779 0.649746 6.05989e-17 180 63.546 4.41715e-05 -3.53967 63.546000 Cu 0.41143 0.647967 0.25 221 63.546 0.000128722 -3.53973 63.546000 Cu 0.41143 0.647967 0.75 234 63.546 0.000128722 -3.53973 63.546000 Cu 0.730216 0.653275 0.5 121 63.546 0.000163103 -3.53967 63.546000 Cu 0.730216 0.653275 3.12833e-16 131 63.546 0.000163103 -3.53967 63.546000 Cu 0.624044 0.651507 0.25 174 63.546 6.13984e-05 -3.53961 63.546000 Cu 0.624044 0.651507 0.75 175 63.546 6.13984e-05 -3.53961 63.546000 Cu 0.987754 0.639942 0.25 69 63.546 0.000638614 -3.53944 63.546000 Cu 0.882348 0.637937 0.5 73 63.546 0.0021486 -3.5404 63.546000 Cu 0.941805 0.657023 0.5 80 63.546 0.000370293 -3.53978 63.546000 Cu 0.987754 0.639942 0.75 82 63.546 0.000638614 -3.53944 63.546000 Cu 0.882348 0.637937 2.64405e-16 83 63.546 0.0021486 -3.5404 63.546000 Cu 0.941805 0.657023 2.50135e-16 84 63.546 0.000370293 -3.53978 63.546000 Cu 0.83619 0.655075 0.25 117 63.546 0.000918388 -3.54011 63.546000 Cu 0.83619 0.655075 0.75 130 63.546 0.000918388 -3.54011 63.546000 Cu 0.107281 0.678119 0.25 77 63.546 0.000330732 -3.53962 63.546000 Cu 0.00153603 0.676104 0.5 81 63.546 9.79292e-05 -3.53966 63.546000 Cu 0.061518 0.695131 0.5 85 63.546 0.00018452 -3.53966 63.546000 Cu 0.107281 0.678119 0.75 87 63.546 0.000330732 -3.53962 63.546000 Cu 0.00153603 0.676104 2.41717e-18 88 63.546 9.79292e-05 -3.53966 63.546000 Cu 0.061518 0.695131 2.23546e-16 89 63.546 0.00018452 -3.53966 63.546000 Cu 0.319485 0.681954 0.25 286 63.546 5.8034e-05 -3.53982 63.546000 Cu 0.319485 0.681954 0.75 287 63.546 5.8034e-05 -3.53982 63.546000 Cu 0.213283 0.680069 0.5 288 63.546 0.000217331 -3.53978 63.546000 Cu 0.213283 0.680069 2.79798e-16 292 63.546 0.000217331 -3.53978 63.546000 Cu 0.471722 0.666778 0.25 230 63.546 3.98505e-05 -3.53986 63.546000 Cu 0.471722 0.666778 0.75 231 63.546 3.98505e-05 -3.53986 63.546000 Cu 0.577984 0.668566 0.5 177 63.546 4.96774e-05 -3.53973 63.546000 Cu 0.577984 0.668566 5.63244e-16 187 63.546 4.96774e-05 -3.53973 63.546000 Cu 0.532018 0.685609 0.25 229 63.546 5.41794e-05 -3.53973 63.546000 Cu 0.42576 0.683799 0.5 233 63.546 4.56785e-05 -3.53979 63.546000 Cu 0.532018 0.685609 0.75 242 63.546 5.41794e-05 -3.53973 63.546000 Cu 0.42576 0.683799 3.45295e-16 243 63.546 4.56785e-05 -3.53979 63.546000 Cu 0.790154 0.672183 0.5 128 63.546 0.000430132 -3.54009 63.546000 Cu 0.790154 0.672183 2.91757e-17 132 63.546 0.000430132 -3.54009 63.546000 Cu 0.684152 0.670359 0.25 173 63.546 0.000124111 -3.53977 63.546000 Cu 0.744197 0.689275 0.25 182 63.546 0.000200031 -3.54009 63.546000 Cu 0.744197 0.689275 0.75 183 63.546 0.000200031 -3.54009 63.546000 Cu 0.638182 0.68743 0.5 184 63.546 0.000105974 -3.53989 63.546000 Cu 0.684152 0.670359 0.75 186 63.546 0.000124111 -3.53977 63.546000 Cu 0.638182 0.68743 1.76411e-16 188 63.546 0.000105974 -3.53989 63.546000 Cu 0.955729 0.693151 0.25 125 63.546 5.09309e-05 -3.53988 63.546000 Cu 0.895907 0.674103 0.25 126 63.546 0.000202811 -3.53988 63.546000 Cu 0.895907 0.674103 0.75 127 63.546 0.000202811 -3.53988 63.546000 Cu 0.850021 0.69118 0.5 129 63.546 0.000145138 -3.53995 63.546000 Cu 0.955729 0.693151 0.75 138 63.546 5.09309e-05 -3.53988 63.546000 Cu 0.850021 0.69118 3.32064e-16 139 63.546 0.000145138 -3.53995 63.546000 Cu 0.167482 0.697068 0.25 348 63.546 0.000153678 -3.53975 63.546000 Cu 0.167482 0.697068 0.75 349 63.546 0.000153678 -3.53975 63.546000 Cu 0.121705 0.714079 0.5 86 63.546 0.000119538 -3.53976 63.546000 Cu 0.121705 0.714079 1.89833e-16 90 63.546 0.000119538 -3.53976 63.546000 Cu 0.0157254 0.712154 0.25 134 63.546 9.76107e-05 -3.53974 63.546000 Cu 0.0157254 0.712154 0.75 135 63.546 9.76107e-05 -3.53974 63.546000 Cu 0.379884 0.700807 0.25 285 63.546 1.4831e-05 -3.53977 63.546000 Cu 0.273629 0.698955 0.5 289 63.546 5.73276e-05 -3.53988 63.546000 Cu 0.334058 0.717816 0.5 296 63.546 4.01791e-06 -3.53979 63.546000 Cu 0.379884 0.700807 0.75 298 63.546 1.4831e-05 -3.53977 63.546000 Cu 0.273629 0.698955 4.3965e-16 299 63.546 5.73276e-05 -3.53988 63.546000 Cu 0.334058 0.717816 1 300 63.546 4.01791e-06 -3.53979 63.546000 Cu 0.227818 0.715962 0.25 347 63.546 5.16345e-05 -3.53979 63.546000 Cu 0.227818 0.715962 0.75 355 63.546 5.16345e-05 -3.53979 63.546000 Cu 0.592291 0.704488 0.25 238 63.546 0.000106114 -3.5399 63.546000 Cu 0.592291 0.704488 0.75 239 63.546 0.000106114 -3.5399 63.546000 Cu 0.486144 0.702639 0.5 240 63.546 7.3905e-05 -3.5398 63.546000 Cu 0.546424 0.721537 0.5 241 63.546 0.000111574 -3.53995 63.546000 Cu 0.486144 0.702639 6.42819e-16 244 63.546 7.3905e-05 -3.5398 63.546000 Cu 0.546424 0.721537 1.62396e-16 251 63.546 0.000111574 -3.53995 63.546000 Cu 0.440301 0.719666 0.25 294 63.546 8.756e-05 -3.53996 63.546000 Cu 0.440301 0.719666 0.75 295 63.546 8.756e-05 -3.53996 63.546000 Cu 0.698287 0.706357 0.5 185 63.546 0.000110734 -3.54003 63.546000 Cu 0.758221 0.725343 0.5 192 63.546 2.22114e-05 -3.54 63.546000 Cu 0.698287 0.706357 2.95913e-16 195 63.546 0.000110734 -3.54003 63.546000 Cu 0.758221 0.725343 1 196 63.546 2.22114e-05 -3.54 63.546000 Cu 0.652394 0.723433 0.25 237 63.546 8.08442e-05 -3.53992 63.546000 Cu 0.652394 0.723433 0.75 250 63.546 8.08442e-05 -3.53992 63.546000 Cu 0.909894 0.710206 0.5 136 63.546 3.52338e-05 -3.53988 63.546000 Cu 0.909894 0.710206 4.36236e-16 140 63.546 3.52338e-05 -3.53988 63.546000 Cu 0.804135 0.70826 0.25 181 63.546 7.01006e-05 -3.54003 63.546000 Cu 0.864 0.727271 0.25 190 63.546 2.46252e-05 -3.53991 63.546000 Cu 0.864 0.727271 0.75 191 63.546 2.46252e-05 -3.53991 63.546000 Cu 0.804135 0.70826 0.75 194 63.546 7.01006e-05 -3.54003 63.546000 Cu 0.0758496 0.731099 0.25 133 63.546 0.000106864 -3.53985 63.546000 Cu 0.029914 0.748137 0.5 141 63.546 0.000102389 -3.5399 63.546000 Cu 0.0758496 0.731099 0.75 143 63.546 0.000106864 -3.53985 63.546000 Cu 0.029914 0.748137 2.49266e-16 145 63.546 0.000102389 -3.5399 63.546000 Cu 0.181992 0.732973 0.5 353 63.546 4.74132e-05 -3.5398 63.546000 Cu 0.181992 0.732973 2.70426e-16 356 63.546 4.74132e-05 -3.5398 63.546000 Cu 0.13609 0.749992 0.25 410 63.546 2.98254e-05 -3.53986 63.546000 Cu 0.13609 0.749992 0.75 411 63.546 2.98254e-05 -3.53986 63.546000 Cu 0.394427 0.736688 0.5 297 63.546 7.89765e-05 -3.53983 63.546000 Cu 0.394427 0.736688 4.2661e-17 307 63.546 7.89765e-05 -3.53983 63.546000 Cu 0.348512 0.7537 0.25 350 63.546 7.78428e-05 -3.53979 63.546000 Cu 0.28823 0.734825 0.25 351 63.546 1.85288e-05 -3.53968 63.546000 Cu 0.28823 0.734825 0.75 352 63.546 1.85288e-05 -3.53968 63.546000 Cu 0.242339 0.751831 0.5 354 63.546 6.13829e-05 -3.5398 63.546000 Cu 0.348512 0.7537 0.75 362 63.546 7.78428e-05 -3.53979 63.546000 Cu 0.242339 0.751831 2.98987e-16 363 63.546 6.13829e-05 -3.5398 63.546000 Cu 0.500514 0.738579 0.25 293 63.546 9.41166e-05 -3.53988 63.546000 Cu 0.560513 0.75754 0.25 302 63.546 0.000106534 -3.53979 63.546000 Cu 0.560513 0.75754 0.75 303 63.546 0.000106534 -3.53979 63.546000 Cu 0.454578 0.755601 0.5 304 63.546 0.000115678 -3.53972 63.546000 Cu 0.500514 0.738579 0.75 306 63.546 9.41166e-05 -3.53988 63.546000 Cu 0.454578 0.755601 6.14895e-19 308 63.546 0.000115678 -3.53972 63.546000 Cu 0.712271 0.742425 0.25 246 63.546 1.19039e-05 -3.5399 63.546000 Cu 0.712271 0.742425 0.75 247 63.546 1.19039e-05 -3.5399 63.546000 Cu 0.60647 0.740496 0.5 248 63.546 8.31596e-05 -3.53982 63.546000 Cu 0.60647 0.740496 4.0899e-16 252 63.546 8.31596e-05 -3.53982 63.546000 Cu 0.96986 0.729193 0.5 137 63.546 7.41132e-05 -3.53991 63.546000 Cu 0.96986 0.729193 2.11121e-16 144 63.546 7.41132e-05 -3.53991 63.546000 Cu 0.923885 0.746254 0.25 189 63.546 0.000106205 -3.53997 63.546000 Cu 0.818037 0.744347 0.5 193 63.546 2.64613e-05 -3.53981 63.546000 Cu 0.923885 0.746254 0.75 202 63.546 0.000106205 -3.53997 63.546000 Cu 0.818037 0.744347 7.20551e-16 203 63.546 2.64613e-05 -3.53981 63.546000 Cu 0.0901365 0.767021 0.5 142 63.546 1.24049e-05 -3.53979 63.546000 Cu 0.0901365 0.767021 1 146 63.546 1.24049e-05 -3.53979 63.546000 Cu 0.0442091 0.784054 0.25 197 63.546 3.44164e-05 -3.53976 63.546000 Cu 0.0442091 0.784054 0.75 209 63.546 3.44164e-05 -3.53976 63.546000 Cu 0.196378 0.768856 0.25 409 63.546 2.78685e-05 -3.53998 63.546000 Cu 0.150439 0.785884 0.5 415 63.546 5.78587e-05 -3.5399 63.546000 Cu 0.196378 0.768856 0.75 417 63.546 2.78685e-05 -3.53998 63.546000 Cu 0.150439 0.785884 3.25322e-16 418 63.546 5.78587e-05 -3.5399 63.546000 Cu 0.302563 0.770718 0.5 360 63.546 5.95131e-05 -3.53988 63.546000 Cu 0.302563 0.770718 2.76724e-16 364 63.546 5.95131e-05 -3.53988 63.546000 Cu 0.256677 0.787736 0.25 413 63.546 0.000104052 -3.53984 63.546000 Cu 0.256677 0.787736 0.75 414 63.546 0.000104052 -3.53984 63.546000 Cu 0.514584 0.774577 0.5 305 63.546 0.000126366 -3.53976 63.546000 Cu 0.514584 0.774577 2.03891e-16 315 63.546 0.000126366 -3.53976 63.546000 Cu 0.408662 0.77262 0.25 358 63.546 0.000173475 -3.53971 63.546000 Cu 0.408662 0.77262 0.75 359 63.546 0.000173475 -3.53971 63.546000 Cu 0.772038 0.761424 0.25 245 63.546 4.85642e-05 -3.53983 63.546000 Cu 0.666288 0.759497 0.5 249 63.546 2.95343e-05 -3.53989 63.546000 Cu 0.726067 0.77851 0.5 256 63.546 0.000143763 -3.53998 63.546000 Cu 0.772038 0.761424 0.75 258 63.546 4.85642e-05 -3.53983 63.546000 Cu 0.666288 0.759497 1.11614e-16 259 63.546 2.95343e-05 -3.53989 63.546000 Cu 0.726067 0.77851 2.49923e-16 260 63.546 0.000143763 -3.53998 63.546000 Cu 0.620326 0.776565 0.25 301 63.546 8.80537e-05 -3.53978 63.546000 Cu 0.620326 0.776565 0.75 314 63.546 8.80537e-05 -3.53978 63.546000 Cu 0.983936 0.765178 0.25 198 63.546 8.45609e-05 -3.5398 63.546000 Cu 0.983936 0.765178 0.75 199 63.546 8.45609e-05 -3.5398 63.546000 Cu 0.877887 0.763321 0.5 200 63.546 0.000170121 -3.53988 63.546000 Cu 0.938001 0.782231 0.5 201 63.546 9.40567e-05 -3.53989 63.546000 Cu 0.877887 0.763321 1.64495e-16 204 63.546 0.000170121 -3.53988 63.546000 Cu 0.938001 0.782231 7.12006e-16 210 63.546 9.40567e-05 -3.53989 63.546000 Cu 0.831926 0.7804 0.25 254 63.546 0.000264932 -3.54002 63.546000 Cu 0.831926 0.7804 0.75 255 63.546 0.000264932 -3.54002 63.546000 Cu 0.104669 0.802913 0.25 205 63.546 0.000117081 -3.53977 63.546000 Cu 0.104669 0.802913 0.75 206 63.546 0.000117081 -3.53977 63.546000 Cu 0.362819 0.78963 0.5 361 63.546 0.000308923 -3.53988 63.546000 Cu 0.362819 0.78963 2.44771e-16 371 63.546 0.000308923 -3.53988 63.546000 Cu 0.317129 0.806646 0.25 412 63.546 0.00031882 -3.53999 63.546000 Cu 0.210964 0.804749 0.5 416 63.546 0.000210485 -3.53974 63.546000 Cu 0.317129 0.806646 0.75 424 63.546 0.00031882 -3.53999 63.546000 Cu 0.210964 0.804749 7.89186e-17 425 63.546 0.000210485 -3.53974 63.546000 Cu 0.574523 0.793616 0.5 312 63.546 0.0001215 -3.53948 63.546000 Cu 0.574523 0.793616 3.71312e-16 316 63.546 0.0001215 -3.53948 63.546000 Cu 0.468759 0.791601 0.25 357 63.546 0.000171271 -3.53979 63.546000 Cu 0.528969 0.810645 0.25 366 63.546 0.000179062 -3.53935 63.546000 Cu 0.528969 0.810645 0.75 367 63.546 0.000179062 -3.53935 63.546000 Cu 0.423127 0.808619 0.5 368 63.546 0.000247147 -3.53988 63.546000 Cu 0.468759 0.791601 0.75 370 63.546 0.000171271 -3.53979 63.546000 Cu 0.423127 0.808619 1.22682e-16 372 63.546 0.000247147 -3.53988 63.546000 Cu 0.78608 0.797497 0.5 257 63.546 0.000433535 -3.54003 63.546000 Cu 0.78608 0.797497 3.46483e-16 267 63.546 0.000433535 -3.54003 63.546000 Cu 0.740423 0.814606 0.25 309 63.546 0.000626385 -3.54019 63.546000 Cu 0.680238 0.795597 0.25 310 63.546 0.000270567 -3.54003 63.546000 Cu 0.680238 0.795597 0.75 311 63.546 0.000270567 -3.54003 63.546000 Cu 0.634618 0.812682 0.5 313 63.546 0.0004525 -3.53994 63.546000 Cu 0.740423 0.814606 0.75 322 63.546 0.000626385 -3.54019 63.546000 Cu 0.634618 0.812682 1.06016e-19 323 63.546 0.0004525 -3.53994 63.546000 Cu 0.998377 0.801102 0.5 207 63.546 0.000129933 -3.53987 63.546000 Cu 0.998377 0.801102 5.29806e-16 211 63.546 0.000129933 -3.53987 63.546000 Cu 0.892158 0.79931 0.25 253 63.546 0.000156511 -3.53998 63.546000 Cu 0.952743 0.818167 0.25 262 63.546 0.000210047 -3.53996 63.546000 Cu 0.952743 0.818167 0.75 263 63.546 0.000210047 -3.53996 63.546000 Cu 0.84648 0.81641 0.5 264 63.546 0.000312752 -3.54006 63.546000 Cu 0.892158 0.79931 0.75 266 63.546 0.000156511 -3.53998 63.546000 Cu 0.84648 0.81641 1 268 63.546 0.000312752 -3.54006 63.546000 Cu 0.0591254 0.819942 0.5 208 63.546 0.000145324 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63.546 0.000306513 -3.53999 63.546000 Cu 0.589251 0.829766 0.25 365 63.546 0.000475357 -3.53976 63.546000 Cu 0.483671 0.827667 0.5 369 63.546 0.000492441 -3.53927 63.546000 Cu 0.544086 0.84685 0.5 376 63.546 0.000585846 -3.53943 63.546000 Cu 0.589251 0.829766 0.75 378 63.546 0.000475357 -3.53976 63.546000 Cu 0.483671 0.827667 3.86748e-17 379 63.546 0.000492441 -3.53927 63.546000 Cu 0.544086 0.84685 2.39024e-16 380 63.546 0.000585846 -3.53943 63.546000 Cu 0.438639 0.844666 0.25 419 63.546 0.00124223 -3.53879 63.546000 Cu 0.438639 0.844666 0.75 432 63.546 0.00124223 -3.53879 63.546000 Cu 0.694924 0.83174 0.5 320 63.546 0.00121232 -3.54049 63.546000 Cu 0.694924 0.83174 1.03896e-18 324 63.546 0.00121232 -3.54049 63.546000 Cu 0.907361 0.835262 0.5 265 63.546 0.000108346 -3.54001 63.546000 Cu 0.907361 0.835262 2.54058e-16 274 63.546 0.000108346 -3.54001 63.546000 Cu 0.801004 0.833543 0.25 318 63.546 0.000525189 -3.54029 63.546000 Cu 0.801004 0.833543 0.75 319 63.546 0.000525189 -3.54029 63.546000 Cu 0.0750016 0.855812 0.25 269 63.546 0.000203203 -3.53991 63.546000 Cu 0.0750016 0.855812 0.75 270 63.546 0.000203203 -3.53991 63.546000 Cu 0.0295792 0.87286 0.5 272 63.546 0.000150082 -3.54025 63.546000 Cu 0.0295792 0.87286 1 277 63.546 0.000150082 -3.54025 63.546000 Cu 0.181404 0.857637 0.5 465 63.546 0.000269232 -3.53999 63.546000 Cu 0.181404 0.857637 4.24065e-19 473 63.546 0.000269232 -3.53999 63.546000 Cu 0.13614 0.874616 0.25 497 63.546 0.000457023 -3.53997 63.546000 Cu 0.13614 0.874616 0.75 502 63.546 0.000457023 -3.53997 63.546000 Cu 0.393797 0.861642 0.5 430 63.546 0.00258324 -3.538 63.546000 Cu 0.393797 0.861642 1 434 63.546 0.00258324 -3.538 63.546000 Cu 0.287838 0.859554 0.25 462 63.546 0.00120613 -3.53923 63.546000 Cu 0.348969 0.878555 0.25 468 63.546 0.00524713 -3.53736 63.546000 Cu 0.348969 0.878555 0.75 469 63.546 0.00524713 -3.53736 63.546000 Cu 0.242744 0.87647 0.5 470 63.546 0.00177635 -3.53921 63.546000 Cu 0.287838 0.859554 0.75 472 63.546 0.00120613 -3.53923 63.546000 Cu 0.242744 0.87647 9.36676e-16 474 63.546 0.00177635 -3.53921 63.546000 Cu 0.499078 0.863919 0.25 428 63.546 0.000897275 -3.5382 63.546000 Cu 0.499078 0.863919 0.75 429 63.546 0.000897275 -3.5382 63.546000 Cu 0.649579 0.8489 0.25 374 63.546 0.00260134 -3.54075 63.546000 Cu 0.649579 0.8489 0.75 375 63.546 0.00260134 -3.54075 63.546000 Cu 0.755624 0.850693 0.5 321 63.546 0.00079653 -3.54004 63.546000 Cu 0.755624 0.850693 5.46981e-16 331 63.546 0.00079653 -3.54004 63.546000 Cu 0.710201 0.867852 0.25 373 63.546 0.000962279 -3.5396 63.546000 Cu 0.60425 0.866084 0.5 377 63.546 0.00599704 -3.54104 63.546000 Cu 0.710201 0.867852 0.75 386 63.546 0.000962279 -3.5396 63.546000 Cu 0.60425 0.866084 5.11486e-16 387 63.546 0.00599704 -3.54104 63.546000 Cu 0.968578 0.854059 0.5 271 63.546 0.000218543 -3.53991 63.546000 Cu 0.968578 0.854059 4.3401e-16 275 63.546 0.000218543 -3.53991 63.546000 Cu 0.862031 0.852372 0.25 317 63.546 8.90415e-05 -3.54006 63.546000 Cu 0.923106 0.871142 0.25 326 63.546 0.000213513 -3.54005 63.546000 Cu 0.923106 0.871142 0.75 327 63.546 0.000213513 -3.54005 63.546000 Cu 0.816562 0.869497 0.5 328 63.546 8.94389e-05 -3.53984 63.546000 Cu 0.862031 0.852372 0.75 330 63.546 8.90415e-05 -3.54006 63.546000 Cu 0.816562 0.869497 1.02624e-16 332 63.546 8.94389e-05 -3.53984 63.546000 Cu 0.0904859 0.891612 0.5 276 63.546 0.000702467 -3.54062 63.546000 Cu 0.0904859 0.891612 2.35483e-16 278 63.546 0.000702467 -3.54062 63.546000 Cu 0.0450857 0.908668 0.25 334 63.546 0.00209347 -3.54054 63.546000 Cu 0.0450857 0.908668 0.75 335 63.546 0.00209347 -3.54054 63.546000 Cu 0.197384 0.893359 0.25 499 63.546 0.00220891 -3.53976 63.546000 Cu 0.197384 0.893359 0.75 500 63.546 0.00220891 -3.53976 63.546000 Cu 0.30404 0.895382 0.5 471 63.546 0.00928468 -3.5371 63.546000 Cu 0.30404 0.895382 5.97254e-16 481 63.546 0.00928468 -3.5371 63.546000 Cu 0.558847 0.883316 0.25 427 63.546 0.0157091 -3.54172 63.546000 Cu 0.454228 0.880949 0.5 431 63.546 0.00331331 -3.53526 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0.00043886 -3.54019 63.546000 Cu 0.877551 0.888257 0.5 329 63.546 0.000463213 -3.53961 63.546000 Cu 0.938773 0.907053 0.5 336 63.546 0.000636865 -3.5397 63.546000 Cu 0.983915 0.88993 0.75 338 63.546 0.00043886 -3.54019 63.546000 Cu 0.877551 0.888257 1 339 63.546 0.000463213 -3.53961 63.546000 Cu 0.938773 0.907053 1.46091e-17 340 63.546 0.000636865 -3.5397 63.546000 Cu 0.832548 0.9054 0.25 381 63.546 0.000550198 -3.53903 63.546000 Cu 0.832548 0.9054 0.75 394 63.546 0.000550198 -3.53903 63.546000 Cu 0.107271 0.927218 0.25 333 63.546 0.00340474 -3.53946 63.546000 Cu 0.000533785 0.925816 0.5 337 63.546 0.00355298 -3.54122 63.546000 Cu 0.107271 0.927218 0.75 343 63.546 0.00340474 -3.53946 63.546000 Cu 0.000533785 0.925816 1.73888e-16 344 63.546 0.00355298 -3.54122 63.546000 Cu 0.151971 0.910246 0.5 501 63.546 0.00317245 -3.53984 63.546000 Cu 0.151971 0.910246 1 509 63.546 0.00317245 -3.53984 63.546000 Cu 0.364873 0.914618 0.5 478 63.546 0.0928176 -3.51514 63.546000 Cu 0.364873 0.914618 1.73231e-16 482 63.546 0.0928176 -3.51514 63.546000 Cu 0.258951 0.912106 0.25 498 63.546 0.0136346 -3.53743 63.546000 Cu 0.320526 0.9311 0.25 504 63.546 0.390445 -3.48856 63.546000 Cu 0.320526 0.9311 0.75 505 63.546 0.390445 -3.48856 63.546000 Cu 0.21423 0.928812 0.5 506 63.546 0.0158176 -3.53665 63.546000 Cu 0.258951 0.912106 0.75 508 63.546 0.0136346 -3.53743 63.546000 Cu 0.21423 0.928812 1 510 63.546 0.0158176 -3.53665 63.546000 Cu 0.574039 0.919558 0.5 439 63.546 0.00345837 -3.53747 63.546000 Cu 0.574039 0.919558 6.37391e-16 449 63.546 0.00345837 -3.53747 63.546000 Cu 0.528472 0.936922 0.25 475 63.546 0.00759359 -3.53585 63.546000 Cu 0.467633 0.918078 0.25 476 63.546 0.149733 -3.54401 63.546000 Cu 0.467633 0.918078 0.75 477 63.546 0.149733 -3.54401 63.546000 Cu 0.421174 0.935734 0.5 479 63.546 0.47006 -3.54316 63.546000 Cu 0.528472 0.936922 0.75 488 63.546 0.00759359 -3.53585 63.546000 Cu 0.421174 0.935734 1.9155e-16 489 63.546 0.47006 -3.54316 63.546000 Cu 0.787998 0.922512 0.5 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