Number of particles = 1052 A = 1 Angstrom (basic length-scale) H0(1,1) = 20.7269 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 117.628 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.10974 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 0.0117022 0.0151202 0.75 543 63.546 6.45409 -3.46652 63.546000 Cu 0.0117022 0.0151202 0.25 544 63.546 6.45409 -3.46652 63.546000 Cu 0.119224 0.0142973 1.55488e-16 546 63.546 6.82459 -3.44836 63.546000 Cu 0.119224 0.0142973 0.5 550 63.546 6.82459 -3.44836 63.546000 Cu 0.230095 0.00989276 0.75 569 63.546 5.76918 -3.32734 63.546000 Cu 0.271309 0.027332 5.4285e-16 573 63.546 0.0463224 -3.47311 63.546000 Cu 0.230095 0.00989276 0.25 578 63.546 5.76918 -3.32734 63.546000 Cu 0.271309 0.027332 0.5 579 63.546 0.0463224 -3.47311 63.546000 Cu 0.334274 0.00775752 1.73311e-16 577 63.546 0.0951269 -3.47202 63.546000 Cu 0.334274 0.00775752 0.5 580 63.546 0.0951269 -3.47202 63.546000 Cu 0.376329 0.0255125 0.75 609 63.546 0.0436578 -3.46652 63.546000 Cu 0.440022 0.00690453 0.75 617 63.546 0.0178955 -3.46771 63.546000 Cu 0.440022 0.00690453 0.25 618 63.546 0.0178955 -3.46771 63.546000 Cu 0.482638 0.0245347 3.45774e-16 619 63.546 0.0216886 -3.46977 63.546000 Cu 0.376329 0.0255125 0.25 621 63.546 0.0436578 -3.46652 63.546000 Cu 0.482638 0.0245347 0.5 623 63.546 0.0216886 -3.46977 63.546000 Cu 0.546731 0.00649498 3.15729e-17 620 63.546 0.0139622 -3.47457 63.546000 Cu 0.546731 0.00649498 0.5 624 63.546 0.0139622 -3.47457 63.546000 Cu 0.653753 0.00608886 0.75 671 63.546 8.17571 -3.28578 63.546000 Cu 0.589712 0.0237551 0.75 672 63.546 0.0893012 -3.45511 63.546000 Cu 0.589712 0.0237551 0.25 673 63.546 0.0893012 -3.45511 63.546000 Cu 0.653753 0.00608886 0.25 680 63.546 8.17571 -3.28578 63.546000 Cu 0.699427 0.0216639 1.5559e-15 675 63.546 5.16145 -3.40504 63.546000 Cu 0.699427 0.0216639 0.5 681 63.546 5.16145 -3.40504 63.546000 Cu 0.798695 0.0168122 0.75 739 63.546 6.90639 -3.27829 63.546000 Cu 0.798695 0.0168122 0.25 747 63.546 6.90639 -3.27829 63.546000 Cu 0.905275 0.0158542 1 533 63.546 6.51169 -3.46168 63.546000 Cu 0.905275 0.0158542 0.5 534 63.546 6.51169 -3.46168 63.546000 Cu 0.0585554 0.0323075 1 545 63.546 0.0388563 -3.46043 63.546000 Cu 0.0585554 0.0323075 0.5 549 63.546 0.0388563 -3.46043 63.546000 Cu 0.105545 0.0490405 0.75 561 63.546 0.00865972 -3.47408 63.546000 Cu 0.105545 0.0490405 0.25 574 63.546 0.00865972 -3.47408 63.546000 Cu 0.167497 0.0301345 0.75 570 63.546 0.104665 -3.45571 63.546000 Cu 0.167497 0.0301345 0.25 571 63.546 0.104665 -3.45571 63.546000 Cu 0.211737 0.0470511 8.48733e-19 572 63.546 0.0143079 -3.47254 63.546000 Cu 0.211737 0.0470511 0.5 576 63.546 0.0143079 -3.47254 63.546000 Cu 0.316395 0.0446837 0.75 610 63.546 0.0153864 -3.46855 63.546000 Cu 0.316395 0.0446837 0.25 611 63.546 0.0153864 -3.46855 63.546000 Cu 0.421889 0.0430274 0 613 63.546 0.0125971 -3.46917 63.546000 Cu 0.421889 0.0430274 0.5 622 63.546 0.0125971 -3.46917 63.546000 Cu 0.52867 0.0418689 0.75 663 63.546 0.0117295 -3.46691 63.546000 Cu 0.636751 0.040281 1.24951e-15 674 63.546 0.0158241 -3.47296 63.546000 Cu 0.52867 0.0418689 0.25 676 63.546 0.0117295 -3.46691 63.546000 Cu 0.636751 0.040281 0.5 678 63.546 0.0158241 -3.47296 63.546000 Cu 0.681772 0.0571248 0.75 731 63.546 0.00699783 -3.47385 63.546000 Cu 0.74323 0.0381881 0.75 740 63.546 0.179752 -3.46347 63.546000 Cu 0.74323 0.0381881 0.25 741 63.546 0.179752 -3.46347 63.546000 Cu 0.787864 0.0549317 1 742 63.546 0.0430003 -3.47001 63.546000 Cu 0.681772 0.0571248 0.25 744 63.546 0.00699783 -3.47385 63.546000 Cu 0.787864 0.0549317 0.5 746 63.546 0.0430003 -3.47001 63.546000 Cu 0.998051 0.0507713 6.78987e-19 540 63.546 0.0062482 -3.46971 63.546000 Cu 0.998051 0.0507713 0.5 548 63.546 0.0062482 -3.46971 63.546000 Cu 0.951325 0.0334791 0.75 536 63.546 0.00601988 -3.46748 63.546000 Cu 0.891401 0.052182 0.75 537 63.546 0.0740178 -3.4623 63.546000 Cu 0.891401 0.052182 0.25 538 63.546 0.0740178 -3.4623 63.546000 Cu 0.951325 0.0334791 0.25 547 63.546 0.00601988 -3.46748 63.546000 Cu 0.845049 0.0346056 1 743 63.546 0.223577 -3.45031 63.546000 Cu 0.845049 0.0346056 0.5 748 63.546 0.223577 -3.45031 63.546000 Cu 0.0443014 0.0678251 0.75 562 63.546 0.000888542 -3.47358 63.546000 Cu 0.0443014 0.0678251 0.25 563 63.546 0.000888542 -3.47358 63.546000 Cu 0.0898556 0.0849341 8.65029e-16 564 63.546 0.000237795 -3.47326 63.546000 Cu 0.150807 0.0660664 8.48733e-19 565 63.546 0.00227832 -3.47383 63.546000 Cu 0.0898556 0.0849341 0.5 568 63.546 0.000237795 -3.47326 63.546000 Cu 0.150807 0.0660664 0.5 575 63.546 0.00227832 -3.47383 63.546000 Cu 0.256654 0.064071 0.75 601 63.546 0.00256608 -3.47324 63.546000 Cu 0.196165 0.0831331 0.75 602 63.546 0.00150674 -3.47355 63.546000 Cu 0.196165 0.0831331 0.25 603 63.546 0.00150674 -3.47355 63.546000 Cu 0.301929 0.0811593 5.99715e-16 605 63.546 0.000381337 -3.4731 63.546000 Cu 0.256654 0.064071 0.25 614 63.546 0.00256608 -3.47324 63.546000 Cu 0.301929 0.0811593 0.5 615 63.546 0.000381337 -3.4731 63.546000 Cu 0.361792 0.0619924 1 612 63.546 0.00674511 -3.47077 63.546000 Cu 0.361792 0.0619924 0.5 616 63.546 0.00674511 -3.47077 63.546000 Cu 0.407562 0.0792241 0.75 655 63.546 0.00218332 -3.47177 63.546000 Cu 0.467713 0.0603534 0.75 664 63.546 0.00507459 -3.47053 63.546000 Cu 0.467713 0.0603534 0.25 665 63.546 0.00507459 -3.47053 63.546000 Cu 0.407562 0.0792241 0.25 668 63.546 0.00218332 -3.47177 63.546000 Cu 0.574838 0.0588603 1.69747e-19 667 63.546 0.00223303 -3.47259 63.546000 Cu 0.574838 0.0588603 0.5 677 63.546 0.00223303 -3.47259 63.546000 Cu 0.513796 0.0775055 3.45774e-16 666 63.546 0.0014722 -3.47249 63.546000 Cu 0.513796 0.0775055 0.5 670 63.546 0.0014722 -3.47249 63.546000 Cu 0.620566 0.0758803 0.75 732 63.546 0.00203693 -3.47295 63.546000 Cu 0.620566 0.0758803 0.25 733 63.546 0.00203693 -3.47295 63.546000 Cu 0.727135 0.0739907 1 735 63.546 0.0026623 -3.47403 63.546000 Cu 0.727135 0.0739907 0.5 745 63.546 0.0026623 -3.47403 63.546000 Cu 0.832941 0.0718686 0.75 807 63.546 0.00954682 -3.47212 63.546000 Cu 0.832941 0.0718686 0.25 814 63.546 0.00954682 -3.47212 63.546000 Cu 0.937644 0.0695077 3.46113e-16 539 63.546 0.0225752 -3.46893 63.546000 Cu 0.937644 0.0695077 0.5 542 63.546 0.0225752 -3.46893 63.546000 Cu 0.983575 0.0866917 0.75 553 63.546 0.00771378 -3.47174 63.546000 Cu 0.983575 0.0866917 0.25 566 63.546 0.00771378 -3.47174 63.546000 Cu 0.029458 0.103841 1 557 63.546 0.00232882 -3.47246 63.546000 Cu 0.029458 0.103841 0.5 567 63.546 0.00232882 -3.47246 63.546000 Cu 0.135584 0.102029 0.75 593 63.546 8.10545e-05 -3.47329 63.546000 Cu 0.135584 0.102029 0.25 606 63.546 8.10545e-05 -3.47329 63.546000 Cu 0.241727 0.100214 1 604 63.546 0.000939235 -3.47337 63.546000 Cu 0.241727 0.100214 0.5 608 63.546 0.000939235 -3.47337 63.546000 Cu 0.28751 0.1173 0.75 647 63.546 0.000608167 -3.47326 63.546000 Cu 0.28751 0.1173 0.25 660 63.546 0.000608167 -3.47326 63.546000 Cu 0.347542 0.0982606 0.75 656 63.546 0.00018434 -3.47294 63.546000 Cu 0.347542 0.0982606 0.25 657 63.546 0.00018434 -3.47294 63.546000 Cu 0.393345 0.115356 1 658 63.546 0.000282696 -3.47307 63.546000 Cu 0.453481 0.0963777 9.15444e-16 659 63.546 0.000774438 -3.47265 63.546000 Cu 0.393345 0.115356 0.5 662 63.546 0.000282696 -3.47307 63.546000 Cu 0.453481 0.0963777 0.5 669 63.546 0.000774438 -3.47265 63.546000 Cu 0.499343 0.113502 0.75 724 63.546 0.000284283 -3.47283 63.546000 Cu 0.499343 0.113502 0.25 725 63.546 0.000284283 -3.47283 63.546000 Cu 0.559725 0.0946289 0.75 723 63.546 0.000422999 -3.47272 63.546000 Cu 0.605551 0.111719 5.0924e-19 727 63.546 0.000186801 -3.47312 63.546000 Cu 0.559725 0.0946289 0.25 736 63.546 0.000422999 -3.47272 63.546000 Cu 0.605551 0.111719 0.5 737 63.546 0.000186801 -3.47312 63.546000 Cu 0.666267 0.0928819 5.21122e-17 734 63.546 0.00106161 -3.47355 63.546000 Cu 0.666267 0.0928819 0.5 738 63.546 0.00106161 -3.47355 63.546000 Cu 0.711904 0.109894 0.75 799 63.546 0.000507367 -3.4735 63.546000 Cu 0.772456 0.0909548 0.75 808 63.546 0.00117483 -3.47374 63.546000 Cu 0.772456 0.0909548 0.25 809 63.546 0.00117483 -3.47374 63.546000 Cu 0.818036 0.107946 1 810 63.546 0.000633575 -3.47343 63.546000 Cu 0.711904 0.109894 0.25 811 63.546 0.000507367 -3.4735 63.546000 Cu 0.818036 0.107946 0.5 813 63.546 0.000633575 -3.47343 63.546000 Cu 0.878246 0.0888733 1 535 63.546 0.00201925 -3.47284 63.546000 Cu 0.878246 0.0888733 0.5 541 63.546 0.00201925 -3.47284 63.546000 Cu 0.92387 0.105885 0.75 554 63.546 0.000368174 -3.4732 63.546000 Cu 0.92387 0.105885 0.25 555 63.546 0.000368174 -3.4732 63.546000 Cu 0.0152216 0.13999 0.75 585 63.546 0.00019195 -3.47314 63.546000 Cu 0.0753537 0.120959 0.75 594 63.546 0.000799099 -3.47284 63.546000 Cu 0.0753537 0.120959 0.25 595 63.546 0.000799099 -3.47284 63.546000 Cu 0.12113 0.138066 1 596 63.546 0.000346517 -3.47297 63.546000 Cu 0.0152216 0.13999 0.25 598 63.546 0.00019195 -3.47314 63.546000 Cu 0.12113 0.138066 0.5 600 63.546 0.000346517 -3.47297 63.546000 Cu 0.181427 0.119131 3.45774e-16 597 63.546 1.01747e-05 -3.47314 63.546000 Cu 0.181427 0.119131 0.5 607 63.546 1.01747e-05 -3.47314 63.546000 Cu 0.227193 0.136231 0.75 648 63.546 4.11349e-05 -3.47325 63.546000 Cu 0.227193 0.136231 0.25 649 63.546 4.11349e-05 -3.47325 63.546000 Cu 0.333262 0.134384 1 651 63.546 0.000392526 -3.47332 63.546000 Cu 0.333262 0.134384 0.5 661 63.546 0.000392526 -3.47332 63.546000 Cu 0.439151 0.132457 0.75 715 63.546 0.000296972 -3.47298 63.546000 Cu 0.439151 0.132457 0.25 728 63.546 0.000296972 -3.47298 63.546000 Cu 0.545167 0.130622 0 726 63.546 0.000106416 -3.47298 63.546000 Cu 0.545167 0.130622 0.5 730 63.546 0.000106416 -3.47298 63.546000 Cu 0.651392 0.128786 0.75 800 63.546 7.3103e-05 -3.47322 63.546000 Cu 0.651392 0.128786 0.25 801 63.546 7.3103e-05 -3.47322 63.546000 Cu 0.697137 0.145835 1 802 63.546 6.81201e-05 -3.47329 63.546000 Cu 0.757657 0.126911 3.15389e-16 803 63.546 0.000235373 -3.47339 63.546000 Cu 0.697137 0.145835 0.5 806 63.546 6.81201e-05 -3.47329 63.546000 Cu 0.757657 0.126911 0.5 812 63.546 0.000235373 -3.47339 63.546000 Cu 0.803325 0.143935 0.75 875 63.546 0.000151963 -3.47343 63.546000 Cu 0.803325 0.143935 0.25 876 63.546 0.000151963 -3.47343 63.546000 Cu 0.86376 0.124958 0.75 551 63.546 0.000414719 -3.47341 63.546000 Cu 0.909354 0.141984 0 552 63.546 0.000193142 -3.47342 63.546000 Cu 0.969578 0.12293 2.19482e-16 556 63.546 0.000168351 -3.47319 63.546000 Cu 0.86376 0.124958 0.25 558 63.546 0.000414719 -3.47341 63.546000 Cu 0.909354 0.141984 0.5 559 63.546 0.000193142 -3.47342 63.546000 Cu 0.969578 0.12293 0.5 560 63.546 0.000168351 -3.47319 63.546000 Cu 0.000256113 0.176105 1 588 63.546 9.64614e-05 -3.47309 63.546000 Cu 0.0607234 0.157068 1.72463e-16 589 63.546 0.000155424 -3.47305 63.546000 Cu 0.000256113 0.176105 0.5 592 63.546 9.64614e-05 -3.47309 63.546000 Cu 0.0607234 0.157068 0.5 599 63.546 0.000155424 -3.47305 63.546000 Cu 0.106166 0.174165 0.75 640 63.546 6.95383e-05 -3.47292 63.546000 Cu 0.106166 0.174165 0.25 641 63.546 6.95383e-05 -3.47292 63.546000 Cu 0.166709 0.155169 0.75 639 63.546 0.000142125 -3.47302 63.546000 Cu 0.212163 0.172266 2.4104e-16 643 63.546 0.000103845 -3.47321 63.546000 Cu 0.272806 0.153321 2.50207e-16 650 63.546 4.50046e-05 -3.47337 63.546000 Cu 0.166709 0.155169 0.25 652 63.546 0.000142125 -3.47302 63.546000 Cu 0.212163 0.172266 0.5 653 63.546 0.000103845 -3.47321 63.546000 Cu 0.272806 0.153321 0.5 654 63.546 4.50046e-05 -3.47337 63.546000 Cu 0.318241 0.170409 0.75 707 63.546 1.1287e-05 -3.47333 63.546000 Cu 0.318241 0.170409 0.25 720 63.546 1.1287e-05 -3.47333 63.546000 Cu 0.378874 0.151466 0.75 716 63.546 0.000173672 -3.47336 63.546000 Cu 0.378874 0.151466 0.25 717 63.546 0.000173672 -3.47336 63.546000 Cu 0.424395 0.168545 9.92679e-16 718 63.546 6.47648e-05 -3.47321 63.546000 Cu 0.484865 0.14957 3.70557e-16 719 63.546 6.56693e-05 -3.47284 63.546000 Cu 0.424395 0.168545 0.5 722 63.546 6.47648e-05 -3.47321 63.546000 Cu 0.484865 0.14957 0.5 729 63.546 6.56693e-05 -3.47284 63.546000 Cu 0.590949 0.147705 0.75 791 63.546 8.04549e-05 -3.47315 63.546000 Cu 0.530473 0.166675 0.75 792 63.546 5.25208e-05 -3.47299 63.546000 Cu 0.530473 0.166675 0.25 793 63.546 5.25208e-05 -3.47299 63.546000 Cu 0.636532 0.164784 1 795 63.546 4.44098e-05 -3.47315 63.546000 Cu 0.590949 0.147705 0.25 804 63.546 8.04549e-05 -3.47315 63.546000 Cu 0.636532 0.164784 0.5 805 63.546 4.44098e-05 -3.47315 63.546000 Cu 0.742693 0.162886 0.75 867 63.546 3.27956e-05 -3.47333 63.546000 Cu 0.742693 0.162886 0.25 878 63.546 3.27956e-05 -3.47333 63.546000 Cu 0.954857 0.159031 0.75 586 63.546 0.000131937 -3.47324 63.546000 Cu 0.954857 0.159031 0.25 587 63.546 0.000131937 -3.47324 63.546000 Cu 0.848816 0.160976 3.45944e-16 877 63.546 7.79921e-05 -3.47337 63.546000 Cu 0.848816 0.160976 0.5 880 63.546 7.79921e-05 -3.47337 63.546000 Cu 0.045626 0.193191 0.75 631 63.546 8.73763e-05 -3.47317 63.546000 Cu 0.151571 0.191266 3.77856e-16 642 63.546 9.90139e-06 -3.47307 63.546000 Cu 0.045626 0.193191 0.25 644 63.546 8.73763e-05 -3.47317 63.546000 Cu 0.151571 0.191266 0.5 646 63.546 9.90139e-06 -3.47307 63.546000 Cu 0.257538 0.189359 0.75 708 63.546 0.00010838 -3.47319 63.546000 Cu 0.257538 0.189359 0.25 709 63.546 0.00010838 -3.47319 63.546000 Cu 0.363644 0.18749 0 711 63.546 8.00488e-06 -3.47324 63.546000 Cu 0.363644 0.18749 0.5 721 63.546 8.00488e-06 -3.47324 63.546000 Cu 0.469797 0.185627 0.75 783 63.546 8.34681e-06 -3.47324 63.546000 Cu 0.409022 0.204572 0.75 784 63.546 1.80837e-05 -3.4733 63.546000 Cu 0.409022 0.204572 0.25 785 63.546 1.80837e-05 -3.4733 63.546000 Cu 0.469797 0.185627 0.25 796 63.546 8.34681e-06 -3.47324 63.546000 Cu 0.51516 0.2027 1 787 63.546 1.45759e-05 -3.47333 63.546000 Cu 0.575958 0.183767 1 794 63.546 0.000175521 -3.47313 63.546000 Cu 0.51516 0.2027 0.5 797 63.546 1.45759e-05 -3.47333 63.546000 Cu 0.575958 0.183767 0.5 798 63.546 0.000175521 -3.47313 63.546000 Cu 0.621362 0.200841 0.75 859 63.546 0.000239415 -3.47331 63.546000 Cu 0.621362 0.200841 0.25 872 63.546 0.000239415 -3.47331 63.546000 Cu 0.68199 0.181851 0.75 868 63.546 1.90235e-05 -3.47335 63.546000 Cu 0.68199 0.181851 0.25 869 63.546 1.90235e-05 -3.47335 63.546000 Cu 0.727388 0.198912 3.45944e-16 870 63.546 2.02465e-05 -3.47329 63.546000 Cu 0.788087 0.179937 1 871 63.546 9.323e-06 -3.47332 63.546000 Cu 0.727388 0.198912 0.5 874 63.546 2.02465e-05 -3.47329 63.546000 Cu 0.788087 0.179937 0.5 879 63.546 9.323e-06 -3.47332 63.546000 Cu 0.8942 0.178026 0.75 581 63.546 1.95797e-05 -3.47329 63.546000 Cu 0.939548 0.19509 3.46113e-16 583 63.546 8.74637e-06 -3.47324 63.546000 Cu 0.8942 0.178026 0.25 590 63.546 1.95797e-05 -3.47329 63.546000 Cu 0.939548 0.19509 0.5 591 63.546 8.74637e-06 -3.47324 63.546000 Cu 0.833454 0.197003 0.75 941 63.546 7.75746e-06 -3.47318 63.546000 Cu 0.833454 0.197003 0.25 942 63.546 7.75746e-06 -3.47318 63.546000 Cu 0.0303239 0.229252 0 634 63.546 8.28119e-06 -3.47314 63.546000 Cu 0.0909823 0.210272 1.69747e-19 635 63.546 2.71744e-05 -3.47328 63.546000 Cu 0.0303239 0.229252 0.5 638 63.546 8.28119e-06 -3.47314 63.546000 Cu 0.0909823 0.210272 0.5 645 63.546 2.71744e-05 -3.47328 63.546000 Cu 0.136363 0.227358 0.75 700 63.546 6.83603e-06 -3.47317 63.546000 Cu 0.136363 0.227358 0.25 701 63.546 6.83603e-06 -3.47317 63.546000 Cu 0.196968 0.208364 0.75 699 63.546 3.61359e-06 -3.47309 63.546000 Cu 0.242393 0.225461 5.19085e-16 703 63.546 2.22123e-05 -3.47305 63.546000 Cu 0.30294 0.206451 1 710 63.546 8.81567e-05 -3.47313 63.546000 Cu 0.196968 0.208364 0.25 712 63.546 3.61359e-06 -3.47309 63.546000 Cu 0.242393 0.225461 0.5 713 63.546 2.22123e-05 -3.47305 63.546000 Cu 0.30294 0.206451 0.5 714 63.546 8.81567e-05 -3.47313 63.546000 Cu 0.348366 0.223541 0.75 775 63.546 6.31329e-05 -3.47322 63.546000 Cu 0.454415 0.221649 1 786 63.546 2.70216e-05 -3.47328 63.546000 Cu 0.348366 0.223541 0.25 788 63.546 6.31329e-05 -3.47322 63.546000 Cu 0.454415 0.221649 0.5 790 63.546 2.70216e-05 -3.47328 63.546000 Cu 0.560535 0.219766 0.75 860 63.546 4.91939e-05 -3.4733 63.546000 Cu 0.560535 0.219766 0.25 861 63.546 4.91939e-05 -3.4733 63.546000 Cu 0.666739 0.217903 4.0892e-16 863 63.546 0.000155173 -3.47338 63.546000 Cu 0.666739 0.217903 0.5 873 63.546 0.000155173 -3.47338 63.546000 Cu 0.772801 0.215985 0.75 933 63.546 3.72124e-06 -3.47315 63.546000 Cu 0.712138 0.234959 0.75 934 63.546 3.42456e-05 -3.47337 63.546000 Cu 0.712138 0.234959 0.25 935 63.546 3.42456e-05 -3.47337 63.546000 Cu 0.818241 0.23306 5.18916e-16 937 63.546 1.80286e-05 -3.47316 63.546000 Cu 0.772801 0.215985 0.25 943 63.546 3.72124e-06 -3.47315 63.546000 Cu 0.818241 0.23306 0.5 944 63.546 1.80286e-05 -3.47316 63.546000 Cu 0.878864 0.214075 1.09996e-16 582 63.546 3.44577e-06 -3.4732 63.546000 Cu 0.878864 0.214075 0.5 584 63.546 3.44577e-06 -3.4732 63.546000 Cu 0.924298 0.231153 0.75 625 63.546 3.89944e-06 -3.47317 63.546000 Cu 0.984907 0.212165 0.75 632 63.546 2.50451e-05 -3.47321 63.546000 Cu 0.984907 0.212165 0.25 633 63.546 2.50451e-05 -3.47321 63.546000 Cu 0.924298 0.231153 0.25 636 63.546 3.89944e-06 -3.47317 63.546000 Cu 0.0757762 0.246346 0.75 691 63.546 5.26804e-06 -3.47313 63.546000 Cu 0.12127 0.263439 1.72802e-16 695 63.546 1.39313e-05 -3.47312 63.546000 Cu 0.0757762 0.246346 0.25 704 63.546 5.26804e-06 -3.47313 63.546000 Cu 0.12127 0.263439 0.5 705 63.546 1.39313e-05 -3.47312 63.546000 Cu 0.181812 0.244451 5.56939e-16 702 63.546 1.73927e-06 -3.4731 63.546000 Cu 0.181812 0.244451 0.5 706 63.546 1.73927e-06 -3.4731 63.546000 Cu 0.227284 0.261547 0.75 767 63.546 2.31145e-06 -3.47312 63.546000 Cu 0.287835 0.242555 0.75 776 63.546 3.98083e-05 -3.47311 63.546000 Cu 0.287835 0.242555 0.25 777 63.546 3.98083e-05 -3.47311 63.546000 Cu 0.227284 0.261547 0.25 780 63.546 2.31145e-06 -3.47312 63.546000 Cu 0.333288 0.259649 1 778 63.546 4.72362e-05 -3.4731 63.546000 Cu 0.333288 0.259649 0.5 782 63.546 4.72362e-05 -3.4731 63.546000 Cu 0.39379 0.240626 8.65878e-16 779 63.546 7.6289e-05 -3.47313 63.546000 Cu 0.39379 0.240626 0.5 789 63.546 7.6289e-05 -3.47313 63.546000 Cu 0.439245 0.257715 0.75 852 63.546 5.79966e-05 -3.47311 63.546000 Cu 0.439245 0.257715 0.25 853 63.546 5.79966e-05 -3.47311 63.546000 Cu 0.499854 0.238731 0.75 851 63.546 8.03726e-06 -3.47313 63.546000 Cu 0.499854 0.238731 0.25 864 63.546 8.03726e-06 -3.47313 63.546000 Cu 0.545288 0.255811 1.69747e-19 855 63.546 1.21983e-05 -3.47324 63.546000 Cu 0.605945 0.236836 3.38305e-16 862 63.546 5.04844e-05 -3.47322 63.546000 Cu 0.545288 0.255811 0.5 865 63.546 1.21983e-05 -3.47324 63.546000 Cu 0.605945 0.236836 0.5 866 63.546 5.04844e-05 -3.47322 63.546000 Cu 0.651387 0.253906 0.75 925 63.546 1.8482e-05 -3.47317 63.546000 Cu 0.651387 0.253906 0.25 938 63.546 1.8482e-05 -3.47317 63.546000 Cu 0.757549 0.252016 2.26951e-16 936 63.546 2.38577e-06 -3.47331 63.546000 Cu 0.757549 0.252016 0.5 940 63.546 2.38577e-06 -3.47331 63.546000 Cu 0.863702 0.250135 0.75 626 63.546 5.20361e-05 -3.47322 63.546000 Cu 0.863702 0.250135 0.25 627 63.546 5.20361e-05 -3.47322 63.546000 Cu 0.969754 0.248237 1 629 63.546 8.57773e-06 -3.47324 63.546000 Cu 0.969754 0.248237 0.5 637 63.546 8.57773e-06 -3.47324 63.546000 Cu 0.0152218 0.265318 0.75 692 63.546 1.81e-05 -3.47324 63.546000 Cu 0.0152218 0.265318 0.25 693 63.546 1.81e-05 -3.47324 63.546000 Cu 0.0606936 0.282404 1 694 63.546 3.30039e-05 -3.47316 63.546000 Cu 0.0606936 0.282404 0.5 698 63.546 3.30039e-05 -3.47316 63.546000 Cu 0.16677 0.280538 0.75 768 63.546 4.52961e-05 -3.47309 63.546000 Cu 0.16677 0.280538 0.25 769 63.546 4.52961e-05 -3.47309 63.546000 Cu 0.272766 0.278647 1 771 63.546 1.1353e-05 -3.47304 63.546000 Cu 0.272766 0.278647 0.5 781 63.546 1.1353e-05 -3.47304 63.546000 Cu 0.378736 0.276737 0.75 843 63.546 3.48378e-05 -3.47319 63.546000 Cu 0.424136 0.293814 3.46283e-17 847 63.546 1.53385e-05 -3.47322 63.546000 Cu 0.484676 0.274795 9.28514e-17 854 63.546 4.32143e-05 -3.47321 63.546000 Cu 0.378736 0.276737 0.25 856 63.546 3.48378e-05 -3.47319 63.546000 Cu 0.424136 0.293814 0.5 857 63.546 1.53385e-05 -3.47322 63.546000 Cu 0.484676 0.274795 0.5 858 63.546 4.32143e-05 -3.47321 63.546000 Cu 0.530075 0.291865 0.75 917 63.546 3.00901e-05 -3.47319 63.546000 Cu 0.590707 0.272875 0.75 926 63.546 2.79496e-05 -3.47329 63.546000 Cu 0.590707 0.272875 0.25 927 63.546 2.79496e-05 -3.47329 63.546000 Cu 0.636096 0.289926 1 928 63.546 7.7647e-05 -3.47335 63.546000 Cu 0.530075 0.291865 0.25 930 63.546 3.00901e-05 -3.47319 63.546000 Cu 0.636096 0.289926 0.5 932 63.546 7.7647e-05 -3.47335 63.546000 Cu 0.696834 0.270971 4.71896e-16 929 63.546 7.75188e-06 -3.47323 63.546000 Cu 0.696834 0.270971 0.5 939 63.546 7.75188e-06 -3.47323 63.546000 Cu 0.802965 0.269074 0.75 985 63.546 2.24517e-05 -3.47334 63.546000 Cu 0.742234 0.288023 0.75 986 63.546 9.77951e-06 -3.47336 63.546000 Cu 0.742234 0.288023 0.25 987 63.546 9.77951e-06 -3.47336 63.546000 Cu 0.802965 0.269074 0.25 993 63.546 2.24517e-05 -3.47334 63.546000 Cu 0.909134 0.267203 2.00131e-16 628 63.546 4.51989e-05 -3.47336 63.546000 Cu 0.909134 0.267203 0.5 630 63.546 4.51989e-05 -3.47336 63.546000 Cu 0.954551 0.284265 0.75 684 63.546 2.10706e-05 -3.47335 63.546000 Cu 0.954551 0.284265 0.25 696 63.546 2.10706e-05 -3.47335 63.546000 Cu 0.848368 0.286128 1 989 63.546 3.23224e-05 -3.47337 63.546000 Cu 0.848368 0.286128 0.5 994 63.546 3.23224e-05 -3.47337 63.546000 Cu 0.106155 0.299494 0.75 759 63.546 5.58128e-05 -3.47323 63.546000 Cu 0.0453696 0.318404 0.75 760 63.546 1.92761e-05 -3.47333 63.546000 Cu 0.0453696 0.318404 0.25 761 63.546 1.92761e-05 -3.47333 63.546000 Cu 0.151591 0.316587 2.6141e-17 763 63.546 7.47032e-05 -3.47326 63.546000 Cu 0.106155 0.299494 0.25 772 63.546 5.58128e-05 -3.47323 63.546000 Cu 0.151591 0.316587 0.5 773 63.546 7.47032e-05 -3.47326 63.546000 Cu 0.212245 0.297641 1 770 63.546 9.24319e-05 -3.47309 63.546000 Cu 0.212245 0.297641 0.5 774 63.546 9.24319e-05 -3.47309 63.546000 Cu 0.257694 0.314751 0.75 835 63.546 0.000212179 -3.47299 63.546000 Cu 0.318222 0.29575 0.75 844 63.546 6.61372e-05 -3.47299 63.546000 Cu 0.318222 0.29575 0.25 845 63.546 6.61372e-05 -3.47299 63.546000 Cu 0.257694 0.314751 0.25 848 63.546 0.000212179 -3.47299 63.546000 Cu 0.363625 0.312852 1.73142e-16 846 63.546 0.000145482 -3.47301 63.546000 Cu 0.363625 0.312852 0.5 850 63.546 0.000145482 -3.47301 63.546000 Cu 0.46947 0.310885 0.75 918 63.546 4.66621e-05 -3.4732 63.546000 Cu 0.46947 0.310885 0.25 919 63.546 4.66621e-05 -3.4732 63.546000 Cu 0.575411 0.308921 6.21782e-16 921 63.546 3.33741e-05 -3.47329 63.546000 Cu 0.575411 0.308921 0.5 931 63.546 3.33741e-05 -3.47329 63.546000 Cu 0.681418 0.306965 0.75 977 63.546 0.000156744 -3.47338 63.546000 Cu 0.787597 0.305065 1.22557e-16 988 63.546 1.83465e-05 -3.47338 63.546000 Cu 0.681418 0.306965 0.25 990 63.546 0.000156744 -3.47338 63.546000 Cu 0.787597 0.305065 0.5 992 63.546 1.83465e-05 -3.47338 63.546000 Cu 0.832918 0.322108 0.75 1023 63.546 2.73175e-05 -3.47329 63.546000 Cu 0.832918 0.322108 0.25 1030 63.546 2.73175e-05 -3.47329 63.546000 Cu 0.999975 0.301332 3.46283e-16 688 63.546 1.75769e-05 -3.4733 63.546000 Cu 0.999975 0.301332 0.5 697 63.546 1.75769e-05 -3.4733 63.546000 Cu 0.893753 0.303183 0.75 685 63.546 3.23737e-05 -3.47332 63.546000 Cu 0.893753 0.303183 0.25 686 63.546 3.23737e-05 -3.47332 63.546000 Cu 0.939139 0.320242 2.67691e-16 687 63.546 2.78231e-05 -3.47326 63.546000 Cu 0.939139 0.320242 0.5 690 63.546 2.78231e-05 -3.47326 63.546000 Cu 0.0907432 0.335483 1 762 63.546 3.45966e-05 -3.47325 63.546000 Cu 0.0907432 0.335483 0.5 766 63.546 3.45966e-05 -3.47325 63.546000 Cu 0.136082 0.352576 0.75 827 63.546 3.50955e-05 -3.47322 63.546000 Cu 0.136082 0.352576 0.25 840 63.546 3.50955e-05 -3.47322 63.546000 Cu 0.196986 0.333687 0.75 836 63.546 6.974e-05 -3.47322 63.546000 Cu 0.196986 0.333687 0.25 837 63.546 6.974e-05 -3.47322 63.546000 Cu 0.242342 0.350799 6.78987e-19 838 63.546 7.11434e-05 -3.47325 63.546000 Cu 0.30312 0.331876 3.46453e-16 839 63.546 0.000647321 -3.47277 63.546000 Cu 0.242342 0.350799 0.5 842 63.546 7.11434e-05 -3.47325 63.546000 Cu 0.30312 0.331876 0.5 849 63.546 0.000647321 -3.47277 63.546000 Cu 0.40894 0.329949 0.75 909 63.546 0.000173676 -3.47296 63.546000 Cu 0.348492 0.349026 0.75 910 63.546 0.00186851 -3.47255 63.546000 Cu 0.348492 0.349026 0.25 911 63.546 0.00186851 -3.47255 63.546000 Cu 0.454164 0.347046 2.50207e-16 913 63.546 0.000211277 -3.47283 63.546000 Cu 0.40894 0.329949 0.25 922 63.546 0.000173676 -3.47296 63.546000 Cu 0.454164 0.347046 0.5 923 63.546 0.000211277 -3.47283 63.546000 Cu 0.514717 0.327946 1.69747e-19 920 63.546 0.000129992 -3.47315 63.546000 Cu 0.514717 0.327946 0.5 924 63.546 0.000129992 -3.47315 63.546000 Cu 0.559859 0.344996 0.75 969 63.546 0.000294572 -3.47319 63.546000 Cu 0.620658 0.32596 0.75 978 63.546 5.85754e-05 -3.47328 63.546000 Cu 0.620658 0.32596 0.25 979 63.546 5.85754e-05 -3.47328 63.546000 Cu 0.559859 0.344996 0.25 982 63.546 0.000294572 -3.47319 63.546000 Cu 0.665814 0.342988 1 980 63.546 0.000136598 -3.47327 63.546000 Cu 0.665814 0.342988 0.5 984 63.546 0.000136598 -3.47327 63.546000 Cu 0.726696 0.323998 4.54921e-17 981 63.546 0.00022309 -3.47331 63.546000 Cu 0.726696 0.323998 0.5 991 63.546 0.00022309 -3.47331 63.546000 Cu 0.771929 0.341027 0.75 1024 63.546 0.000282634 -3.47323 63.546000 Cu 0.771929 0.341027 0.25 1025 63.546 0.000282634 -3.47323 63.546000 Cu 0.878214 0.339154 5.18746e-16 683 63.546 3.75629e-05 -3.47322 63.546000 Cu 0.878214 0.339154 0.5 689 63.546 3.75629e-05 -3.47322 63.546000 Cu 0.984483 0.337307 0.75 751 63.546 2.40662e-05 -3.47324 63.546000 Cu 0.984483 0.337307 0.25 764 63.546 2.40662e-05 -3.47324 63.546000 Cu 0.0297836 0.354375 1.73311e-16 755 63.546 3.66297e-05 -3.47331 63.546000 Cu 0.0297836 0.354375 0.5 765 63.546 3.66297e-05 -3.47331 63.546000 Cu 0.0750411 0.371442 0.75 828 63.546 7.53618e-05 -3.47324 63.546000 Cu 0.0750411 0.371442 0.25 829 63.546 7.53618e-05 -3.47324 63.546000 Cu 0.18136 0.369678 1.72463e-16 831 63.546 5.45418e-05 -3.4733 63.546000 Cu 0.18136 0.369678 0.5 841 63.546 5.45418e-05 -3.4733 63.546000 Cu 0.287622 0.36793 0.75 901 63.546 8.67323e-05 -3.47317 63.546000 Cu 0.287622 0.36793 0.25 914 63.546 8.67323e-05 -3.47317 63.546000 Cu 0.393811 0.366197 1 912 63.546 0.00466142 -3.47194 63.546000 Cu 0.393811 0.366197 0.5 916 63.546 0.00466142 -3.47194 63.546000 Cu 0.49924 0.364133 0.75 970 63.546 0.000539817 -3.47259 63.546000 Cu 0.49924 0.364133 0.25 971 63.546 0.000539817 -3.47259 63.546000 Cu 0.54411 0.381203 3.36608e-16 972 63.546 0.00211474 -3.47197 63.546000 Cu 0.604861 0.36202 9.69253e-17 973 63.546 0.000691763 -3.47319 63.546000 Cu 0.54411 0.381203 0.5 976 63.546 0.00211474 -3.47197 63.546000 Cu 0.604861 0.36202 0.5 983 63.546 0.000691763 -3.47319 63.546000 Cu 0.649682 0.379015 0.75 1016 63.546 0.00141714 -3.47303 63.546000 Cu 0.649682 0.379015 0.25 1017 63.546 0.00141714 -3.47303 63.546000 Cu 0.710861 0.35999 0.75 1015 63.546 0.000372145 -3.4733 63.546000 Cu 0.75578 0.376963 1.72802e-16 1019 63.546 0.000823016 -3.47321 63.546000 Cu 0.817096 0.358051 3.46283e-16 1026 63.546 0.000280179 -3.47324 63.546000 Cu 0.710861 0.35999 0.25 1027 63.546 0.000372145 -3.4733 63.546000 Cu 0.75578 0.376963 0.5 1028 63.546 0.000823016 -3.47321 63.546000 Cu 0.817096 0.358051 0.5 1029 63.546 0.000280179 -3.47324 63.546000 Cu 0.862199 0.375056 0.75 749 63.546 0.000324615 -3.47324 63.546000 Cu 0.923475 0.356202 0.75 752 63.546 7.36028e-05 -3.47323 63.546000 Cu 0.923475 0.356202 0.25 753 63.546 7.36028e-05 -3.47323 63.546000 Cu 0.96869 0.373248 3.07751e-16 754 63.546 0.000124875 -3.47319 63.546000 Cu 0.862199 0.375056 0.25 756 63.546 0.000324615 -3.47324 63.546000 Cu 0.96869 0.373248 0.5 758 63.546 0.000124875 -3.47319 63.546000 Cu 0.0139046 0.390303 0.75 819 63.546 0.000337718 -3.47292 63.546000 Cu 0.0590452 0.407403 1.76706e-16 823 63.546 0.000777991 -3.47281 63.546000 Cu 0.120201 0.388532 1 830 63.546 7.33181e-05 -3.47328 63.546000 Cu 0.0139046 0.390303 0.25 832 63.546 0.000337718 -3.47292 63.546000 Cu 0.0590452 0.407403 0.5 833 63.546 0.000777991 -3.47281 63.546000 Cu 0.120201 0.388532 0.5 834 63.546 7.33181e-05 -3.47328 63.546000 Cu 0.165186 0.405634 0.75 893 63.546 0.000317533 -3.47336 63.546000 Cu 0.165186 0.405634 0.25 906 63.546 0.000317533 -3.47336 63.546000 Cu 0.226518 0.386797 0.75 902 63.546 9.02802e-05 -3.4734 63.546000 Cu 0.226518 0.386797 0.25 903 63.546 9.02802e-05 -3.4734 63.546000 Cu 0.2715 0.403927 6.78987e-19 904 63.546 0.000188604 -3.47359 63.546000 Cu 0.2715 0.403927 0.5 908 63.546 0.000188604 -3.47359 63.546000 Cu 0.332821 0.385093 1.85024e-17 905 63.546 0.000158386 -3.47311 63.546000 Cu 0.332821 0.385093 0.5 915 63.546 0.000158386 -3.47311 63.546000 Cu 0.439068 0.38342 0.75 961 63.546 0.0124199 -3.47076 63.546000 Cu 0.37792 0.402282 0.75 962 63.546 0.00032531 -3.47318 63.546000 Cu 0.37792 0.402282 0.25 963 63.546 0.00032531 -3.47318 63.546000 Cu 0.484303 0.400701 1.73142e-16 965 63.546 0.0327783 -3.46832 63.546000 Cu 0.439068 0.38342 0.25 974 63.546 0.0124199 -3.47076 63.546000 Cu 0.484303 0.400701 0.5 975 63.546 0.0327783 -3.46832 63.546000 Cu 0.588738 0.398237 0.75 1007 63.546 0.00922538 -3.47091 63.546000 Cu 0.588738 0.398237 0.25 1020 63.546 0.00922538 -3.47091 63.546000 Cu 0.69432 0.395958 0 1018 63.546 0.00273116 -3.47301 63.546000 Cu 0.69432 0.395958 0.5 1022 63.546 0.00273116 -3.47301 63.546000 Cu 0.80061 0.393897 0.75 1047 63.546 0.00155425 -3.47301 63.546000 Cu 0.80061 0.393897 0.25 1048 63.546 0.00155425 -3.47301 63.546000 Cu 0.907294 0.392052 3.46623e-16 750 63.546 0.00038889 -3.47297 63.546000 Cu 0.907294 0.392052 0.5 757 63.546 0.00038889 -3.47297 63.546000 Cu 0.952517 0.40906 0.75 820 63.546 0.000866157 -3.47233 63.546000 Cu 0.952517 0.40906 0.25 821 63.546 0.000866157 -3.47233 63.546000 Cu 0.845556 0.410789 1.7399e-16 1049 63.546 0.00250466 -3.47232 63.546000 Cu 0.845556 0.410789 0.5 1052 63.546 0.00250466 -3.47232 63.546000 Cu 0.104058 0.424553 0.75 894 63.546 0.00201534 -3.47241 63.546000 Cu 0.104058 0.424553 0.25 895 63.546 0.00201534 -3.47241 63.546000 Cu 0.209887 0.422752 2.93322e-16 897 63.546 0.00148444 -3.4737 63.546000 Cu 0.209887 0.422752 0.5 907 63.546 0.00148444 -3.4737 63.546000 Cu 0.316301 0.421066 0.75 953 63.546 0.000681228 -3.47392 63.546000 Cu 0.254106 0.439841 0.75 954 63.546 0.00708074 -3.47372 63.546000 Cu 0.254106 0.439841 0.25 955 63.546 0.00708074 -3.47372 63.546000 Cu 0.316301 0.421066 0.25 966 63.546 0.000681228 -3.47392 63.546000 Cu 0.36091 0.438188 6.04298e-17 957 63.546 0.00285195 -3.4739 63.546000 Cu 0.422987 0.419505 3.09448e-16 964 63.546 0.0010886 -3.47309 63.546000 Cu 0.36091 0.438188 0.5 967 63.546 0.00285195 -3.4739 63.546000 Cu 0.422987 0.419505 0.5 968 63.546 0.0010886 -3.47309 63.546000 Cu 0.468113 0.436787 0.75 999 63.546 0.00338366 -3.47278 63.546000 Cu 0.468113 0.436787 0.25 1012 63.546 0.00338366 -3.47278 63.546000 Cu 0.529652 0.418084 0.75 1008 63.546 0.0911806 -3.46307 63.546000 Cu 0.529652 0.418084 0.25 1009 63.546 0.0911806 -3.46307 63.546000 Cu 0.575615 0.435594 2.50037e-16 1010 63.546 0.255213 -3.44804 63.546000 Cu 0.633154 0.415175 6.78987e-19 1011 63.546 0.038619 -3.46835 63.546000 Cu 0.575615 0.435594 0.5 1014 63.546 0.255213 -3.44804 63.546000 Cu 0.633154 0.415175 0.5 1021 63.546 0.038619 -3.46835 63.546000 Cu 0.738884 0.412808 0.75 1039 63.546 0.0054051 -3.47272 63.546000 Cu 0.677492 0.43196 0.75 1040 63.546 0.150355 -3.46165 63.546000 Cu 0.677492 0.43196 0.25 1041 63.546 0.150355 -3.46165 63.546000 Cu 0.783679 0.429541 3.14541e-16 1043 63.546 0.00980387 -3.47154 63.546000 Cu 0.738884 0.412808 0.25 1050 63.546 0.0054051 -3.47272 63.546000 Cu 0.783679 0.429541 0.5 1051 63.546 0.00980387 -3.47154 63.546000 Cu 0.997727 0.426153 5.20953e-16 822 63.546 0.00174842 -3.47243 63.546000 Cu 0.997727 0.426153 0.5 826 63.546 0.00174842 -3.47243 63.546000 Cu 0.890829 0.427665 0.75 815 63.546 0.00448233 -3.47119 63.546000 Cu 0.890829 0.427665 0.25 824 63.546 0.00448233 -3.47119 63.546000 Cu 0.0426989 0.443328 0.75 885 63.546 0.00755605 -3.47124 63.546000 Cu 0.086535 0.460709 5.40983e-16 889 63.546 0.0243406 -3.47057 63.546000 Cu 0.148582 0.44178 1.73311e-16 896 63.546 0.00570541 -3.47205 63.546000 Cu 0.0426989 0.443328 0.25 898 63.546 0.00755605 -3.47124 63.546000 Cu 0.086535 0.460709 0.5 899 63.546 0.0243406 -3.47057 63.546000 Cu 0.148582 0.44178 0.5 900 63.546 0.00570541 -3.47205 63.546000 Cu 0.192066 0.459059 0.75 946 63.546 0.0114357 -3.46954 63.546000 Cu 0.297528 0.456856 6.78987e-19 956 63.546 0.0285961 -3.47165 63.546000 Cu 0.192066 0.459059 0.25 958 63.546 0.0114357 -3.46954 63.546000 Cu 0.297528 0.456856 0.5 960 63.546 0.0285961 -3.47165 63.546000 Cu 0.405029 0.455321 0.75 1000 63.546 0.012131 -3.47154 63.546000 Cu 0.405029 0.455321 0.25 1001 63.546 0.012131 -3.47154 63.546000 Cu 0.514134 0.454054 1 1003 63.546 0.0172265 -3.46667 63.546000 Cu 0.514134 0.454054 0.5 1013 63.546 0.0172265 -3.46667 63.546000 Cu 0.62264 0.4534 0.75 1032 63.546 0.76611 -3.41565 63.546000 Cu 0.62264 0.4534 0.25 1044 63.546 0.76611 -3.41565 63.546000 Cu 0.765323 0.464515 0.25 99 63.546 4.83966 -3.44173 63.546000 Cu 0.765323 0.464515 0.75 460 63.546 4.83966 -3.44173 63.546000 Cu 0.721787 0.448435 3.39493e-19 1042 63.546 0.558585 -3.44599 63.546000 Cu 0.721787 0.448435 0.5 1046 63.546 0.558585 -3.44599 63.546000 Cu 0.82884 0.44614 0.25 148 63.546 0.0237734 -3.46842 63.546000 Cu 0.82884 0.44614 0.75 149 63.546 0.0237734 -3.46842 63.546000 Cu 0.872109 0.462961 1 816 63.546 0.0292262 -3.46654 63.546000 Cu 0.935758 0.444655 2.75499e-16 817 63.546 0.00313472 -3.47273 63.546000 Cu 0.872109 0.462961 0.5 818 63.546 0.0292262 -3.46654 63.546000 Cu 0.935758 0.444655 0.5 825 63.546 0.00313472 -3.47273 63.546000 Cu 0.979882 0.461718 0.75 886 63.546 0.019808 -3.46949 63.546000 Cu 0.979882 0.461718 0.25 887 63.546 0.019808 -3.46949 63.546000 Cu 0.0215011 0.479093 3.96019e-16 888 63.546 0.0180794 -3.47127 63.546000 Cu 0.0215011 0.479093 0.5 892 63.546 0.0180794 -3.47127 63.546000 Cu 0.0606689 0.496771 0.75 945 63.546 0.0196585 -3.47144 63.546000 Cu 0.12847 0.478261 0.75 947 63.546 0.0661838 -3.46361 63.546000 Cu 0.12847 0.478261 0.25 948 63.546 0.0661838 -3.46361 63.546000 Cu 0.0606689 0.496771 0.25 951 63.546 0.0196585 -3.47144 63.546000 Cu 0.166207 0.496099 3.00452e-17 949 63.546 0.119917 -3.47528 63.546000 Cu 0.166207 0.496099 0.5 952 63.546 0.119917 -3.47528 63.546000 Cu 0.234048 0.476337 1.7399e-16 950 63.546 0.0539952 -3.47312 63.546000 Cu 0.234048 0.476337 0.5 959 63.546 0.0539952 -3.47312 63.546000 Cu 0.269786 0.493787 0.75 996 63.546 5.83459 -3.28526 63.546000 Cu 0.269786 0.493787 0.25 997 63.546 5.83459 -3.28526 63.546000 Cu 0.338951 0.473811 0.75 995 63.546 0.130663 -3.4443 63.546000 Cu 0.383689 0.489701 2.97226e-16 998 63.546 6.53928 -3.42813 63.546000 Cu 0.450281 0.472128 3.46453e-16 1002 63.546 0.0529027 -3.45569 63.546000 Cu 0.338951 0.473811 0.25 1004 63.546 0.130663 -3.4443 63.546000 Cu 0.383689 0.489701 0.5 1005 63.546 6.53928 -3.42813 63.546000 Cu 0.450281 0.472128 0.5 1006 63.546 0.0529027 -3.45569 63.546000 Cu 0.493571 0.489344 0.75 1031 63.546 5.84348 -3.46489 63.546000 Cu 0.493571 0.489344 0.25 1037 63.546 5.84348 -3.46489 63.546000 Cu 0.560181 0.471593 0.75 1033 63.546 0.0313515 -3.46326 63.546000 Cu 0.560181 0.471593 0.25 1034 63.546 0.0313515 -3.46326 63.546000 Cu 0.603205 0.489477 6.94264e-17 1035 63.546 5.58414 -3.46351 63.546000 Cu 0.603205 0.489477 0.5 1038 63.546 5.58414 -3.46351 63.546000 Cu 0.669887 0.471661 1.8095e-16 1036 63.546 2.14329 -3.37158 63.546000 Cu 0.669887 0.471661 0.5 1045 63.546 2.14329 -3.37158 63.546000 Cu 0.801561 0.480964 0.5 92 63.546 5.16755 -3.41869 63.546000 Cu 0.801561 0.480964 6.78987e-19 451 63.546 5.16755 -3.41869 63.546000 Cu 0.712568 0.490567 0.25 455 63.546 8.65869 -3.30825 63.546000 Cu 0.712568 0.490567 0.75 459 63.546 8.65869 -3.30825 63.546000 Cu 0.913511 0.479592 0.75 881 63.546 0.0564242 -3.44587 63.546000 Cu 0.954116 0.496938 3.47132e-16 884 63.546 0.0408533 -3.47539 63.546000 Cu 0.913511 0.479592 0.25 890 63.546 0.0564242 -3.44587 63.546000 Cu 0.954116 0.496938 0.5 891 63.546 0.0408533 -3.47539 63.546000 Cu 0.847035 0.496747 0.75 882 63.546 5.25658 -3.36051 63.546000 Cu 0.847035 0.496747 0.25 883 63.546 5.25658 -3.36051 63.546000 Cu 0.0995865 0.514651 0.5 1 63.546 5.54881 -3.46377 63.546000 Cu 0.0995865 0.514651 6.78987e-19 2 63.546 5.54881 -3.46377 63.546000 Cu 0.301589 0.521989 0.5 96 63.546 4.81649 -3.401 63.546000 Cu 0.301589 0.521989 5.74932e-16 100 63.546 4.81649 -3.401 63.546000 Cu 0.208907 0.51404 0.25 147 63.546 7.9867 -3.29866 63.546000 Cu 0.208907 0.51404 0.75 155 63.546 7.9867 -3.29866 63.546000 Cu 0.456746 0.506835 0.5 50 63.546 0.102218 -3.47273 63.546000 Cu 0.456746 0.506835 1.4072e-16 52 63.546 0.102218 -3.47273 63.546000 Cu 0.351546 0.506813 0.25 91 63.546 6.73673 -3.36269 63.546000 Cu 0.412846 0.524163 0.25 94 63.546 0.114355 -3.44075 63.546000 Cu 0.412846 0.524163 0.75 95 63.546 0.114355 -3.44075 63.546000 Cu 0.351546 0.506813 0.75 98 63.546 6.73673 -3.36269 63.546000 Cu 0.625567 0.525928 0.25 47 63.546 0.0450194 -3.46654 63.546000 Cu 0.562088 0.507229 0.25 48 63.546 0.0336598 -3.46906 63.546000 Cu 0.562088 0.507229 0.75 49 63.546 0.0336598 -3.46906 63.546000 Cu 0.519722 0.524859 0.5 51 63.546 0.0181508 -3.46923 63.546000 Cu 0.625567 0.525928 0.75 58 63.546 0.0450194 -3.46654 63.546000 Cu 0.519722 0.524859 3.08769e-16 59 63.546 0.0181508 -3.46923 63.546000 Cu 0.76979 0.510711 0.25 19 63.546 4.90375 -3.33694 63.546000 Cu 0.666694 0.508264 0.5 20 63.546 0.0876321 -3.47423 63.546000 Cu 0.730272 0.52795 0.5 24 63.546 0.0255753 -3.47716 63.546000 Cu 0.76979 0.510711 0.75 26 63.546 4.90375 -3.33694 63.546000 Cu 0.666694 0.508264 3.79554e-16 27 63.546 0.0876321 -3.47423 63.546000 Cu 0.730272 0.52795 1.15428e-16 28 63.546 0.0255753 -3.47716 63.546000 Cu 0.990521 0.514515 0.25 4 63.546 5.74961 -3.46683 63.546000 Cu 0.990521 0.514515 0.75 5 63.546 5.74961 -3.46683 63.546000 Cu 0.881455 0.514 0.5 6 63.546 6.11999 -3.45271 63.546000 Cu 0.881455 0.514 3.46453e-16 8 63.546 6.11999 -3.45271 63.546000 Cu 0.0538766 0.532484 0.25 3 63.546 0.0167633 -3.4629 63.546000 Cu 0.114155 0.550813 0.25 9 63.546 0.368946 -3.43488 63.546000 Cu 0.114155 0.550813 0.75 10 63.546 0.368946 -3.43488 63.546000 Cu 0.00661019 0.549998 0.5 11 63.546 0.011352 -3.46697 63.546000 Cu 0.0538766 0.532484 0.75 13 63.546 0.0167633 -3.4629 63.546000 Cu 0.00661019 0.549998 8.34644e-16 15 63.546 0.011352 -3.46697 63.546000 Cu 0.162495 0.532726 0.5 153 63.546 1.12685 -3.38693 63.546000 Cu 0.162495 0.532726 9.50581e-17 156 63.546 1.12685 -3.38693 63.546000 Cu 0.321115 0.557151 0.25 150 63.546 0.0130804 -3.47211 63.546000 Cu 0.260568 0.538248 0.25 151 63.546 0.795931 -3.4477 63.546000 Cu 0.260568 0.538248 0.75 152 63.546 0.795931 -3.4477 63.546000 Cu 0.215076 0.554615 0.5 154 63.546 0.195303 -3.45973 63.546000 Cu 0.321115 0.557151 0.75 162 63.546 0.0130804 -3.47211 63.546000 Cu 0.215076 0.554615 1 163 63.546 0.195303 -3.45973 63.546000 Cu 0.474721 0.542165 0.25 93 63.546 0.0208095 -3.46554 63.546000 Cu 0.366843 0.540491 0.5 97 63.546 0.0217816 -3.46764 63.546000 Cu 0.474721 0.542165 0.75 106 63.546 0.0208095 -3.46554 63.546000 Cu 0.366843 0.540491 6.2297e-17 107 63.546 0.0217816 -3.46764 63.546000 Cu 0.580972 0.543368 0.5 56 63.546 0.015248 -3.46959 63.546000 Cu 0.580972 0.543368 3.80742e-16 60 63.546 0.015248 -3.46959 63.546000 Cu 0.791603 0.547112 0.5 25 63.546 0.0119547 -3.47391 63.546000 Cu 0.791603 0.547112 1 35 63.546 0.0119547 -3.47391 63.546000 Cu 0.686114 0.545115 0.25 54 63.546 0.00349808 -3.47199 63.546000 Cu 0.686114 0.545115 0.75 55 63.546 0.00349808 -3.47199 63.546000 Cu 0.945197 0.531776 0.5 7 63.546 0.035099 -3.46091 63.546000 Cu 0.945197 0.531776 5.19255e-16 14 63.546 0.035099 -3.46091 63.546000 Cu 0.89856 0.548668 0.25 21 63.546 0.00657499 -3.47327 63.546000 Cu 0.835418 0.530141 0.25 22 63.546 0.0642383 -3.46054 63.546000 Cu 0.835418 0.530141 0.75 23 63.546 0.0642383 -3.46054 63.546000 Cu 0.89856 0.548668 0.75 34 63.546 0.00657499 -3.47327 63.546000 Cu 0.0667961 0.568517 0.5 12 63.546 0.117008 -3.45727 63.546000 Cu 0.0667961 0.568517 2.47151e-16 17 63.546 0.117008 -3.45727 63.546000 Cu 0.0200134 0.585963 0.25 29 63.546 0.040274 -3.46669 63.546000 Cu 0.0200134 0.585963 0.75 41 63.546 0.040274 -3.46669 63.546000 Cu 0.275194 0.573826 0.5 160 63.546 0.00612665 -3.47381 63.546000 Cu 0.275194 0.573826 1.17465e-16 164 63.546 0.00612665 -3.47381 63.546000 Cu 0.169787 0.571398 0.25 215 63.546 0.04297 -3.46837 63.546000 Cu 0.169787 0.571398 0.75 220 63.546 0.04297 -3.46837 63.546000 Cu 0.427927 0.559022 0.5 104 63.546 0.00265913 -3.47211 63.546000 Cu 0.427927 0.559022 1.72972e-16 108 63.546 0.00265913 -3.47211 63.546000 Cu 0.488422 0.577665 0.5 105 63.546 0.000676558 -3.47236 63.546000 Cu 0.488422 0.577665 1.7416e-16 115 63.546 0.000676558 -3.47236 63.546000 Cu 0.38171 0.57591 0.25 158 63.546 0.00307356 -3.47234 63.546000 Cu 0.38171 0.57591 0.75 159 63.546 0.00307356 -3.47234 63.546000 Cu 0.64075 0.562288 0.5 57 63.546 0.00135037 -3.47237 63.546000 Cu 0.64075 0.562288 4.55261e-16 67 63.546 0.00135037 -3.47237 63.546000 Cu 0.594737 0.579419 0.25 101 63.546 0.000347678 -3.47224 63.546000 Cu 0.53493 0.560625 0.25 102 63.546 0.00440548 -3.47 63.546000 Cu 0.53493 0.560625 0.75 103 63.546 0.00440548 -3.47 63.546000 Cu 0.594737 0.579419 0.75 114 63.546 0.000347678 -3.47224 63.546000 Cu 0.746467 0.564132 0.25 53 63.546 0.00260645 -3.47394 63.546000 Cu 0.807062 0.582908 0.25 62 63.546 0.000510356 -3.47325 63.546000 Cu 0.807062 0.582908 0.75 63 63.546 0.000510356 -3.47325 63.546000 Cu 0.700765 0.581195 0.5 64 63.546 0.000411865 -3.47337 63.546000 Cu 0.746467 0.564132 0.75 66 63.546 0.00260645 -3.47394 63.546000 Cu 0.700765 0.581195 5.18746e-16 68 63.546 0.000411865 -3.47337 63.546000 Cu 0.959779 0.567257 0.25 30 63.546 0.00206295 -3.47195 63.546000 Cu 0.959779 0.567257 0.75 31 63.546 0.00206295 -3.47195 63.546000 Cu 0.852982 0.565795 0.5 32 63.546 0.00161034 -3.47337 63.546000 Cu 0.913526 0.584508 0.5 33 63.546 0.000923306 -3.47221 63.546000 Cu 0.852982 0.565795 1 36 63.546 0.00161034 -3.47337 63.546000 Cu 0.913526 0.584508 1 42 63.546 0.000923306 -3.47221 63.546000 Cu 0.124245 0.588382 0.5 16 63.546 0.00908645 -3.47112 63.546000 Cu 0.124245 0.588382 5.29779e-16 18 63.546 0.00908645 -3.47112 63.546000 Cu 0.078405 0.60544 0.25 37 63.546 0.0020832 -3.47214 63.546000 Cu 0.078405 0.60544 0.75 38 63.546 0.0020832 -3.47214 63.546000 Cu 0.289661 0.60971 0.25 216 63.546 0.000821983 -3.47351 63.546000 Cu 0.229553 0.590673 0.25 217 63.546 0.00245984 -3.47379 63.546000 Cu 0.229553 0.590673 0.75 218 63.546 0.00245984 -3.47379 63.546000 Cu 0.183807 0.607616 0.5 219 63.546 0.000944635 -3.47347 63.546000 Cu 0.289661 0.60971 0.75 226 63.546 0.000821983 -3.47351 63.546000 Cu 0.183807 0.607616 1.44285e-16 227 63.546 0.000944635 -3.47347 63.546000 Cu 0.442079 0.594677 0.25 157 63.546 0.000399863 -3.47269 63.546000 Cu 0.335596 0.592783 0.5 161 63.546 0.00166168 -3.47339 63.546000 Cu 0.395874 0.611664 0.5 168 63.546 0.000302562 -3.47325 63.546000 Cu 0.442079 0.594677 0.75 170 63.546 0.000399863 -3.47269 63.546000 Cu 0.335596 0.592783 2.96547e-16 171 63.546 0.00166168 -3.47339 63.546000 Cu 0.395874 0.611664 2.93153e-16 172 63.546 0.000302562 -3.47325 63.546000 Cu 0.654671 0.598268 0.25 110 63.546 6.16439e-05 -3.47296 63.546000 Cu 0.654671 0.598268 0.75 111 63.546 6.16439e-05 -3.47296 63.546000 Cu 0.548441 0.596478 0.5 112 63.546 5.43517e-05 -3.4728 63.546000 Cu 0.608432 0.615336 0.5 113 63.546 4.22074e-05 -3.47298 63.546000 Cu 0.548441 0.596478 3.39324e-16 116 63.546 5.43517e-05 -3.4728 63.546000 Cu 0.608432 0.615336 3.87022e-17 123 63.546 4.22074e-05 -3.47298 63.546000 Cu 0.502179 0.613521 0.25 166 63.546 9.31126e-05 -3.47296 63.546000 Cu 0.502179 0.613521 0.75 167 63.546 9.31126e-05 -3.47296 63.546000 Cu 0.760901 0.600018 0.5 65 63.546 0.000172017 -3.47306 63.546000 Cu 0.760901 0.600018 2.82628e-16 75 63.546 0.000172017 -3.47306 63.546000 Cu 0.714646 0.617117 0.25 109 63.546 8.27883e-05 -3.47304 63.546000 Cu 0.714646 0.617117 0.75 122 63.546 8.27883e-05 -3.47304 63.546000 Cu 0.973489 0.603293 0.5 39 63.546 0.013658 -3.46986 63.546000 Cu 0.973489 0.603293 2.92304e-16 43 63.546 0.013658 -3.46986 63.546000 Cu 0.867201 0.601697 0.25 61 63.546 0.000299113 -3.47262 63.546000 Cu 0.867201 0.601697 0.75 74 63.546 0.000299113 -3.47262 63.546000 Cu 0.0324506 0.622541 0.5 40 63.546 0.000654786 -3.47247 63.546000 Cu 0.0921881 0.641662 0.5 44 63.546 0.00017746 -3.47322 63.546000 Cu 0.0324506 0.622541 5.0924e-19 45 63.546 0.000654786 -3.47247 63.546000 Cu 0.0921881 0.641662 8.48733e-19 46 63.546 0.00017746 -3.47322 63.546000 Cu 0.137974 0.624623 0.25 279 63.546 0.000405228 -3.47334 63.546000 Cu 0.137974 0.624623 0.75 284 63.546 0.000405228 -3.47334 63.546000 Cu 0.243768 0.626682 0.5 224 63.546 0.000434928 -3.47346 63.546000 Cu 0.304013 0.645663 0.5 225 63.546 0.00015781 -3.47342 63.546000 Cu 0.243768 0.626682 1.73311e-16 228 63.546 0.000434928 -3.47346 63.546000 Cu 0.304013 0.645663 6.61163e-16 235 63.546 0.00015781 -3.47342 63.546000 Cu 0.198003 0.643684 0.25 281 63.546 0.00021175 -3.47338 63.546000 Cu 0.198003 0.643684 0.75 282 63.546 0.00021175 -3.47338 63.546000 Cu 0.456078 0.630553 0.5 169 63.546 9.68158e-05 -3.47321 63.546000 Cu 0.456078 0.630553 1.35797e-18 179 63.546 9.68158e-05 -3.47321 63.546000 Cu 0.349852 0.628659 0.25 222 63.546 0.000251633 -3.47334 63.546000 Cu 0.349852 0.628659 0.75 223 63.546 0.000251633 -3.47334 63.546000 Cu 0.562278 0.632398 0.25 165 63.546 6.8318e-05 -3.47314 63.546000 Cu 0.562278 0.632398 0.75 178 63.546 6.8318e-05 -3.47314 63.546000 Cu 0.82086 0.618846 0.5 72 63.546 0.000103284 -3.4728 63.546000 Cu 0.82086 0.618846 2.40361e-16 76 63.546 0.000103284 -3.4728 63.546000 Cu 0.774659 0.635977 0.25 118 63.546 8.73555e-05 -3.47292 63.546000 Cu 0.774659 0.635977 0.75 119 63.546 8.73555e-05 -3.47292 63.546000 Cu 0.668458 0.634207 0.5 120 63.546 8.98829e-05 -3.47313 63.546000 Cu 0.668458 0.634207 2.62259e-16 124 63.546 8.98829e-05 -3.47313 63.546000 Cu 0.98651 0.639653 0.25 69 63.546 0.000312611 -3.47271 63.546000 Cu 0.927068 0.620533 0.25 70 63.546 0.00473236 -3.47145 63.546000 Cu 0.927068 0.620533 0.75 71 63.546 0.00473236 -3.47145 63.546000 Cu 0.880829 0.637719 0.5 73 63.546 0.00170171 -3.47221 63.546000 Cu 0.98651 0.639653 0.75 82 63.546 0.000312611 -3.47271 63.546000 Cu 0.880829 0.637719 4.20632e-16 83 63.546 0.00170171 -3.47221 63.546000 Cu 0.0464695 0.658725 0.25 78 63.546 0.000106416 -3.47313 63.546000 Cu 0.0464695 0.658725 0.75 79 63.546 0.000106416 -3.47313 63.546000 Cu 0.000838237 0.675801 0.5 81 63.546 4.83032e-05 -3.47312 63.546000 Cu 0.000838237 0.675801 2.53092e-16 88 63.546 4.83032e-05 -3.47312 63.546000 Cu 0.152342 0.660715 0.5 283 63.546 9.75132e-05 -3.47326 63.546000 Cu 0.152342 0.660715 1.57525e-16 291 63.546 9.75132e-05 -3.47326 63.546000 Cu 0.258333 0.662682 0.25 280 63.546 5.14607e-05 -3.47335 63.546000 Cu 0.258333 0.662682 0.75 290 63.546 5.14607e-05 -3.47335 63.546000 Cu 0.410151 0.647582 0.25 221 63.546 7.95798e-05 -3.4733 63.546000 Cu 0.470479 0.666519 0.25 230 63.546 0.000106957 -3.47323 63.546000 Cu 0.470479 0.666519 0.75 231 63.546 0.000106957 -3.47323 63.546000 Cu 0.364399 0.664618 0.5 232 63.546 4.43651e-05 -3.47329 63.546000 Cu 0.410151 0.647582 0.75 234 63.546 7.95798e-05 -3.4733 63.546000 Cu 0.364399 0.664618 5.20274e-16 236 63.546 4.43651e-05 -3.47329 63.546000 Cu 0.622467 0.651289 0.25 174 63.546 6.21371e-05 -3.47321 63.546000 Cu 0.622467 0.651289 0.75 175 63.546 6.21371e-05 -3.47321 63.546000 Cu 0.516296 0.649459 0.5 176 63.546 9.11122e-05 -3.47319 63.546000 Cu 0.576635 0.668367 0.5 177 63.546 3.84043e-05 -3.4732 63.546000 Cu 0.516296 0.649459 4.22669e-16 180 63.546 9.11122e-05 -3.47319 63.546000 Cu 0.576635 0.668367 1.92832e-16 187 63.546 3.84043e-05 -3.4732 63.546000 Cu 0.728642 0.653088 0.5 121 63.546 5.81348e-05 -3.47308 63.546000 Cu 0.78894 0.672002 0.5 128 63.546 0.000163405 -3.47294 63.546000 Cu 0.728642 0.653088 6.93076e-16 131 63.546 5.81348e-05 -3.47308 63.546000 Cu 0.78894 0.672002 5.20783e-16 132 63.546 0.000163405 -3.47294 63.546000 Cu 0.682811 0.670191 0.25 173 63.546 2.07456e-05 -3.47313 63.546000 Cu 0.682811 0.670191 0.75 186 63.546 2.07456e-05 -3.47313 63.546000 Cu 0.940672 0.656763 0.5 80 63.546 0.000201002 -3.47292 63.546000 Cu 0.940672 0.656763 4.51526e-16 84 63.546 0.000201002 -3.47292 63.546000 Cu 0.834803 0.654873 0.25 117 63.546 0.000554644 -3.4726 63.546000 Cu 0.894935 0.673868 0.25 126 63.546 0.000154448 -3.47299 63.546000 Cu 0.894935 0.673868 0.75 127 63.546 0.000154448 -3.47299 63.546000 Cu 0.834803 0.654873 0.75 130 63.546 0.000554644 -3.4726 63.546000 Cu 0.106762 0.677759 0.25 77 63.546 2.224e-05 -3.47333 63.546000 Cu 0.0612211 0.694813 0.5 85 63.546 2.05738e-05 -3.47325 63.546000 Cu 0.106762 0.677759 0.75 87 63.546 2.224e-05 -3.47333 63.546000 Cu 0.0612211 0.694813 7.04788e-16 89 63.546 2.05738e-05 -3.47325 63.546000 Cu 0.318739 0.681662 0.25 286 63.546 2.33566e-05 -3.47327 63.546000 Cu 0.318739 0.681662 0.75 287 63.546 2.33566e-05 -3.47327 63.546000 Cu 0.212735 0.679718 0.5 288 63.546 1.34454e-05 -3.47332 63.546000 Cu 0.273147 0.698712 0.5 289 63.546 1.31296e-05 -3.4733 63.546000 Cu 0.212735 0.679718 1.18823e-18 292 63.546 1.34454e-05 -3.47332 63.546000 Cu 0.273147 0.698712 6.78987e-19 299 63.546 1.31296e-05 -3.4733 63.546000 Cu 0.167172 0.696766 0.25 348 63.546 8.75449e-06 -3.47326 63.546000 Cu 0.167172 0.696766 0.75 349 63.546 8.75449e-06 -3.47326 63.546000 Cu 0.424794 0.683582 0.5 233 63.546 0.000120461 -3.47318 63.546000 Cu 0.485287 0.70252 0.5 240 63.546 1.18139e-05 -3.47325 63.546000 Cu 0.424794 0.683582 1.58713e-16 243 63.546 0.000120461 -3.47318 63.546000 Cu 0.485287 0.70252 7.97809e-18 244 63.546 1.18139e-05 -3.47325 63.546000 Cu 0.379177 0.700641 0.25 285 63.546 9.58764e-05 -3.47332 63.546000 Cu 0.379177 0.700641 0.75 298 63.546 9.58764e-05 -3.47332 63.546000 Cu 0.637067 0.687287 0.5 184 63.546 1.4417e-05 -3.47313 63.546000 Cu 0.637067 0.687287 3.79554e-16 188 63.546 1.4417e-05 -3.47313 63.546000 Cu 0.53094 0.685444 0.25 229 63.546 1.37525e-05 -3.47321 63.546000 Cu 0.591391 0.704382 0.25 238 63.546 4.27811e-05 -3.47316 63.546000 Cu 0.591391 0.704382 0.75 239 63.546 4.27811e-05 -3.47316 63.546000 Cu 0.53094 0.685444 0.75 242 63.546 1.37525e-05 -3.47321 63.546000 Cu 0.743214 0.689112 0.25 182 63.546 5.95588e-05 -3.47311 63.546000 Cu 0.743214 0.689112 0.75 183 63.546 5.95588e-05 -3.47311 63.546000 Cu 0.955232 0.692882 0.25 125 63.546 2.10281e-05 -3.4731 63.546000 Cu 0.849273 0.690969 0.5 129 63.546 0.000103678 -3.4731 63.546000 Cu 0.955232 0.692882 0.75 138 63.546 2.10281e-05 -3.4731 63.546000 Cu 0.849273 0.690969 1 139 63.546 0.000103678 -3.4731 63.546000 Cu 0.121589 0.713828 0.5 86 63.546 9.08575e-06 -3.47316 63.546000 Cu 0.121589 0.713828 1 90 63.546 9.08575e-06 -3.47316 63.546000 Cu 0.0759759 0.730893 0.25 133 63.546 4.84777e-06 -3.47325 63.546000 Cu 0.0156496 0.711879 0.25 134 63.546 4.69031e-05 -3.47317 63.546000 Cu 0.0156496 0.711879 0.75 135 63.546 4.69031e-05 -3.47317 63.546000 Cu 0.0759759 0.730893 0.75 143 63.546 4.84777e-06 -3.47325 63.546000 Cu 0.227569 0.715766 0.25 347 63.546 1.28794e-05 -3.47323 63.546000 Cu 0.287964 0.734748 0.25 351 63.546 1.26117e-05 -3.47332 63.546000 Cu 0.287964 0.734748 0.75 352 63.546 1.26117e-05 -3.47332 63.546000 Cu 0.18194 0.732828 0.5 353 63.546 2.18886e-05 -3.47319 63.546000 Cu 0.227569 0.715766 0.75 355 63.546 1.28794e-05 -3.47323 63.546000 Cu 0.18194 0.732828 6.84079e-17 356 63.546 2.18886e-05 -3.47319 63.546000 Cu 0.439661 0.719586 0.25 294 63.546 9.25667e-06 -3.47331 63.546000 Cu 0.439661 0.719586 0.75 295 63.546 9.25667e-06 -3.47331 63.546000 Cu 0.333582 0.717692 0.5 296 63.546 3.84273e-05 -3.47334 63.546000 Cu 0.333582 0.717692 3.37966e-16 300 63.546 3.84273e-05 -3.47334 63.546000 Cu 0.651905 0.723305 0.25 237 63.546 3.95662e-05 -3.47317 63.546000 Cu 0.545742 0.721463 0.5 241 63.546 4.92471e-05 -3.47328 63.546000 Cu 0.651905 0.723305 0.75 250 63.546 3.95662e-05 -3.47317 63.546000 Cu 0.545742 0.721463 3.46792e-16 251 63.546 4.92471e-05 -3.47328 63.546000 Cu 0.803644 0.708067 0.25 181 63.546 5.81899e-05 -3.47307 63.546000 Cu 0.697546 0.70621 0.5 185 63.546 4.14618e-05 -3.4731 63.546000 Cu 0.757995 0.725167 0.5 192 63.546 4.78107e-06 -3.47303 63.546000 Cu 0.803644 0.708067 0.75 194 63.546 5.81899e-05 -3.47307 63.546000 Cu 0.697546 0.70621 4.73593e-17 195 63.546 4.14618e-05 -3.4731 63.546000 Cu 0.757995 0.725167 6.85946e-16 196 63.546 4.78107e-06 -3.47303 63.546000 Cu 0.909649 0.709964 0.5 136 63.546 1.00388e-05 -3.47326 63.546000 Cu 0.970047 0.728955 0.5 137 63.546 3.09298e-05 -3.47315 63.546000 Cu 0.909649 0.709964 2.88569e-18 140 63.546 1.00388e-05 -3.47326 63.546000 Cu 0.970047 0.728955 1.78573e-16 144 63.546 3.09298e-05 -3.47315 63.546000 Cu 0.864058 0.72704 0.25 190 63.546 7.35521e-05 -3.47326 63.546000 Cu 0.864058 0.72704 0.75 191 63.546 7.35521e-05 -3.47326 63.546000 Cu 0.0303301 0.747961 0.5 141 63.546 8.79959e-06 -3.47324 63.546000 Cu 0.0303301 0.747961 7.05976e-16 145 63.546 8.79959e-06 -3.47324 63.546000 Cu 0.136279 0.749895 0.25 410 63.546 5.25772e-05 -3.47317 63.546000 Cu 0.136279 0.749895 0.75 411 63.546 5.25772e-05 -3.47317 63.546000 Cu 0.242309 0.751799 0.5 354 63.546 8.9109e-06 -3.47331 63.546000 Cu 0.242309 0.751799 8.48733e-19 363 63.546 8.9109e-06 -3.47331 63.546000 Cu 0.394033 0.736653 0.5 297 63.546 1.56387e-05 -3.47324 63.546000 Cu 0.45448 0.755607 0.5 304 63.546 1.89452e-05 -3.47328 63.546000 Cu 0.394033 0.736653 1.58374e-16 307 63.546 1.56387e-05 -3.47324 63.546000 Cu 0.45448 0.755607 2.06751e-16 308 63.546 1.89452e-05 -3.47328 63.546000 Cu 0.348386 0.753715 0.25 350 63.546 1.83557e-05 -3.47328 63.546000 Cu 0.348386 0.753715 0.75 362 63.546 1.83557e-05 -3.47328 63.546000 Cu 0.606263 0.74039 0.5 248 63.546 4.24744e-05 -3.47316 63.546000 Cu 0.606263 0.74039 6.01073e-16 252 63.546 4.24744e-05 -3.47316 63.546000 Cu 0.500113 0.738536 0.25 293 63.546 2.83004e-05 -3.47326 63.546000 Cu 0.560589 0.757478 0.25 302 63.546 2.5683e-05 -3.47315 63.546000 Cu 0.560589 0.757478 0.75 303 63.546 2.5683e-05 -3.47315 63.546000 Cu 0.500113 0.738536 0.75 306 63.546 2.83004e-05 -3.47326 63.546000 Cu 0.666645 0.759353 0.5 249 63.546 9.88137e-06 -3.47312 63.546000 Cu 0.666645 0.759353 1.03936e-15 259 63.546 9.88137e-06 -3.47312 63.546000 Cu 0.818417 0.744126 0.5 193 63.546 0.000135161 -3.47313 63.546000 Cu 0.818417 0.744126 8.9117e-17 203 63.546 0.000135161 -3.47313 63.546000 Cu 0.7727 0.761217 0.25 245 63.546 0.000122681 -3.47303 63.546000 Cu 0.712328 0.742263 0.25 246 63.546 5.42563e-06 -3.47315 63.546000 Cu 0.712328 0.742263 0.75 247 63.546 5.42563e-06 -3.47315 63.546000 Cu 0.7727 0.761217 0.75 258 63.546 0.000122681 -3.47303 63.546000 Cu 0.924381 0.74604 0.25 189 63.546 6.68247e-06 -3.47306 63.546000 Cu 0.878667 0.763131 0.5 200 63.546 1.21013e-05 -3.47305 63.546000 Cu 0.924381 0.74604 0.75 202 63.546 6.68247e-06 -3.47306 63.546000 Cu 0.878667 0.763131 8.01714e-16 204 63.546 1.21013e-05 -3.47305 63.546000 Cu 0.0905568 0.766966 0.5 142 63.546 9.72912e-05 -3.4732 63.546000 Cu 0.0905568 0.766966 8.27345e-16 146 63.546 9.72912e-05 -3.4732 63.546000 Cu 0.0448478 0.784036 0.25 197 63.546 7.13905e-05 -3.47334 63.546000 Cu 0.0448478 0.784036 0.75 209 63.546 7.13905e-05 -3.47334 63.546000 Cu 0.1509 0.785921 0.5 415 63.546 1.95605e-05 -3.47325 63.546000 Cu 0.1509 0.785921 5.77139e-18 418 63.546 1.95605e-05 -3.47325 63.546000 Cu 0.302714 0.77077 0.5 360 63.546 1.02273e-05 -3.47325 63.546000 Cu 0.302714 0.77077 4.21141e-16 364 63.546 1.02273e-05 -3.47325 63.546000 Cu 0.196633 0.768861 0.25 409 63.546 9.30164e-06 -3.47319 63.546000 Cu 0.256966 0.78783 0.25 413 63.546 1.13128e-05 -3.47318 63.546000 Cu 0.256966 0.78783 0.75 414 63.546 1.13128e-05 -3.47318 63.546000 Cu 0.196633 0.768861 0.75 417 63.546 9.30164e-06 -3.47319 63.546000 Cu 0.469141 0.791631 0.25 357 63.546 1.0694e-05 -3.47318 63.546000 Cu 0.408801 0.77267 0.25 358 63.546 9.63343e-06 -3.47336 63.546000 Cu 0.408801 0.77267 0.75 359 63.546 9.63343e-06 -3.47336 63.546000 Cu 0.363103 0.789728 0.5 361 63.546 2.48735e-05 -3.47331 63.546000 Cu 0.469141 0.791631 0.75 370 63.546 1.0694e-05 -3.47318 63.546000 Cu 0.363103 0.789728 1 371 63.546 2.48735e-05 -3.47331 63.546000 Cu 0.620925 0.776447 0.25 301 63.546 2.4533e-05 -3.47315 63.546000 Cu 0.514888 0.774556 0.5 305 63.546 2.34417e-05 -3.47321 63.546000 Cu 0.575159 0.793531 0.5 312 63.546 2.37363e-05 -3.4732 63.546000 Cu 0.620925 0.776447 0.75 314 63.546 2.4533e-05 -3.47315 63.546000 Cu 0.514888 0.774556 3.08939e-16 315 63.546 2.34417e-05 -3.47321 63.546000 Cu 0.575159 0.793531 2.85174e-17 316 63.546 2.37363e-05 -3.4732 63.546000 Cu 0.726928 0.77832 0.5 256 63.546 2.32877e-05 -3.47301 63.546000 Cu 0.726928 0.77832 3.12164e-16 260 63.546 2.32877e-05 -3.47301 63.546000 Cu 0.8329 0.780215 0.25 254 63.546 4.71825e-06 -3.47323 63.546000 Cu 0.8329 0.780215 0.75 255 63.546 4.71825e-06 -3.47323 63.546000 Cu 0.984639 0.765036 0.25 198 63.546 2.66245e-05 -3.4732 63.546000 Cu 0.984639 0.765036 0.75 199 63.546 2.66245e-05 -3.4732 63.546000 Cu 0.938878 0.782118 0.5 201 63.546 9.83099e-06 -3.4731 63.546000 Cu 0.938878 0.782118 1 210 63.546 9.83099e-06 -3.4731 63.546000 Cu 0.105144 0.802992 0.25 205 63.546 2.13982e-06 -3.47314 63.546000 Cu 0.105144 0.802992 0.75 206 63.546 2.13982e-06 -3.47314 63.546000 Cu 0.0593515 0.820059 0.5 208 63.546 1.99451e-05 -3.4732 63.546000 Cu 0.0593515 0.820059 4.97358e-17 213 63.546 1.99451e-05 -3.4732 63.546000 Cu 0.165443 0.821945 0.25 461 63.546 7.97892e-06 -3.47319 63.546000 Cu 0.165443 0.821945 0.75 466 63.546 7.97892e-06 -3.47319 63.546000 Cu 0.317332 0.806783 0.25 412 63.546 2.86841e-05 -3.47328 63.546000 Cu 0.211211 0.804885 0.5 416 63.546 5.79424e-06 -3.47328 63.546000 Cu 0.317332 0.806783 0.75 424 63.546 2.86841e-05 -3.47328 63.546000 Cu 0.211211 0.804885 4.10278e-16 425 63.546 5.79424e-06 -3.47328 63.546000 Cu 0.42337 0.808704 0.5 368 63.546 1.7038e-05 -3.47329 63.546000 Cu 0.42337 0.808704 3.12843e-16 372 63.546 1.7038e-05 -3.47329 63.546000 Cu 0.635287 0.812532 0.5 313 63.546 9.06786e-05 -3.47289 63.546000 Cu 0.635287 0.812532 1.1076e-15 323 63.546 9.06786e-05 -3.47289 63.546000 Cu 0.5294 0.810614 0.25 366 63.546 7.8031e-05 -3.47322 63.546000 Cu 0.5294 0.810614 0.75 367 63.546 7.8031e-05 -3.47322 63.546000 Cu 0.787114 0.797298 0.5 257 63.546 3.2605e-05 -3.47316 63.546000 Cu 0.787114 0.797298 1.38174e-16 267 63.546 3.2605e-05 -3.47316 63.546000 Cu 0.741252 0.814396 0.25 309 63.546 2.76136e-05 -3.47296 63.546000 Cu 0.681117 0.795421 0.25 310 63.546 1.0252e-05 -3.47296 63.546000 Cu 0.681117 0.795421 0.75 311 63.546 1.0252e-05 -3.47296 63.546000 Cu 0.741252 0.814396 0.75 322 63.546 2.76136e-05 -3.47296 63.546000 Cu 0.999079 0.801094 0.5 207 63.546 8.64394e-06 -3.47333 63.546000 Cu 0.999079 0.801094 3.47132e-16 211 63.546 8.64394e-06 -3.47333 63.546000 Cu 0.893075 0.799199 0.25 253 63.546 1.34795e-05 -3.47321 63.546000 Cu 0.953315 0.818159 0.25 262 63.546 1.53659e-05 -3.47329 63.546000 Cu 0.953315 0.818159 0.75 263 63.546 1.53659e-05 -3.47329 63.546000 Cu 0.847269 0.81628 0.5 264 63.546 3.11214e-05 -3.47323 63.546000 Cu 0.893075 0.799199 0.75 266 63.546 1.34795e-05 -3.47321 63.546000 Cu 0.847269 0.81628 8.48733e-19 268 63.546 3.11214e-05 -3.47323 63.546000 Cu 0.119727 0.83901 0.5 212 63.546 1.17809e-05 -3.4732 63.546000 Cu 0.119727 0.83901 1.93002e-16 214 63.546 1.17809e-05 -3.4732 63.546000 Cu 0.0136315 0.837122 0.25 261 63.546 2.89668e-05 -3.47327 63.546000 Cu 0.0136315 0.837122 0.75 273 63.546 2.89668e-05 -3.47327 63.546000 Cu 0.27156 0.823839 0.5 422 63.546 2.37276e-05 -3.47323 63.546000 Cu 0.27156 0.823839 5.19764e-16 426 63.546 2.37276e-05 -3.47323 63.546000 Cu 0.225821 0.840896 0.25 463 63.546 4.08616e-05 -3.47329 63.546000 Cu 0.225821 0.840896 0.75 464 63.546 4.08616e-05 -3.47329 63.546000 Cu 0.331929 0.842808 0.5 423 63.546 0.000101248 -3.47332 63.546000 Cu 0.331929 0.842808 6.45716e-16 433 63.546 0.000101248 -3.47332 63.546000 Cu 0.483648 0.827687 0.5 369 63.546 0.000227204 -3.47326 63.546000 Cu 0.483648 0.827687 3.13013e-16 379 63.546 0.000227204 -3.47326 63.546000 Cu 0.437941 0.844762 0.25 419 63.546 0.000302924 -3.47313 63.546000 Cu 0.377647 0.825759 0.25 420 63.546 2.03259e-05 -3.47335 63.546000 Cu 0.377647 0.825759 0.75 421 63.546 2.03259e-05 -3.47335 63.546000 Cu 0.437941 0.844762 0.75 432 63.546 0.000302924 -3.47313 63.546000 Cu 0.589446 0.829648 0.25 365 63.546 0.000276081 -3.47274 63.546000 Cu 0.649455 0.848663 0.25 374 63.546 0.0011191 -3.47245 63.546000 Cu 0.649455 0.848663 0.75 375 63.546 0.0011191 -3.47245 63.546000 Cu 0.543672 0.846768 0.5 376 63.546 0.000366782 -3.47303 63.546000 Cu 0.589446 0.829648 0.75 378 63.546 0.000276081 -3.47274 63.546000 Cu 0.543672 0.846768 2.86872e-16 380 63.546 0.000366782 -3.47303 63.546000 Cu 0.801446 0.833355 0.25 318 63.546 7.22431e-05 -3.47339 63.546000 Cu 0.801446 0.833355 0.75 319 63.546 7.22431e-05 -3.47339 63.546000 Cu 0.69538 0.831514 0.5 320 63.546 0.000139556 -3.47265 63.546000 Cu 0.755687 0.850431 0.5 321 63.546 0.000261177 -3.47331 63.546000 Cu 0.69538 0.831514 4.92944e-16 324 63.546 0.000139556 -3.47265 63.546000 Cu 0.755687 0.850431 1.01848e-18 331 63.546 0.000261177 -3.47331 63.546000 Cu 0.907566 0.835224 0.5 265 63.546 4.74841e-05 -3.47331 63.546000 Cu 0.907566 0.835224 6.41133e-16 274 63.546 4.74841e-05 -3.47331 63.546000 Cu 0.861893 0.852278 0.25 317 63.546 0.000117816 -3.47343 63.546000 Cu 0.861893 0.852278 0.75 330 63.546 0.000117816 -3.47343 63.546000 Cu 0.0741061 0.856075 0.25 269 63.546 4.2275e-05 -3.47316 63.546000 Cu 0.0741061 0.856075 0.75 270 63.546 4.2275e-05 -3.47316 63.546000 Cu 0.0286591 0.873135 0.5 272 63.546 0.000100494 -3.47327 63.546000 Cu 0.0286591 0.873135 1 277 63.546 0.000100494 -3.47327 63.546000 Cu 0.134666 0.875055 0.25 497 63.546 0.000470851 -3.47282 63.546000 Cu 0.134666 0.875055 0.75 502 63.546 0.000470851 -3.47282 63.546000 Cu 0.286314 0.859849 0.25 462 63.546 0.000383384 -3.47355 63.546000 Cu 0.180194 0.857964 0.5 465 63.546 5.54665e-05 -3.47305 63.546000 Cu 0.240907 0.876898 0.5 470 63.546 0.000855131 -3.47342 63.546000 Cu 0.286314 0.859849 0.75 472 63.546 0.000383384 -3.47355 63.546000 Cu 0.180194 0.857964 3.46623e-16 473 63.546 5.54665e-05 -3.47305 63.546000 Cu 0.240907 0.876898 1.03936e-15 474 63.546 0.000855131 -3.47342 63.546000 Cu 0.392231 0.861824 0.5 430 63.546 0.000365131 -3.47324 63.546000 Cu 0.452437 0.880948 0.5 431 63.546 0.000718612 -3.47265 63.546000 Cu 0.392231 0.861824 1.52772e-18 434 63.546 0.000365131 -3.47324 63.546000 Cu 0.452437 0.880948 7.25328e-16 441 63.546 0.000718612 -3.47265 63.546000 Cu 0.346789 0.878881 0.25 468 63.546 0.000601658 -3.47345 63.546000 Cu 0.346789 0.878881 0.75 469 63.546 0.000601658 -3.47345 63.546000 Cu 0.497964 0.863861 0.25 428 63.546 0.000217948 -3.47287 63.546000 Cu 0.497964 0.863861 0.75 429 63.546 0.000217948 -3.47287 63.546000 Cu 0.603686 0.865828 0.5 377 63.546 0.00351243 -3.47224 63.546000 Cu 0.603686 0.865828 6.51827e-17 387 63.546 0.00351243 -3.47224 63.546000 Cu 0.816354 0.869326 0.5 328 63.546 0.000323544 -3.47349 63.546000 Cu 0.816354 0.869326 1.03919e-15 332 63.546 0.000323544 -3.47349 63.546000 Cu 0.710053 0.867525 0.25 373 63.546 0.000422619 -3.47322 63.546000 Cu 0.710053 0.867525 0.75 386 63.546 0.000422619 -3.47322 63.546000 Cu 0.96802 0.854177 0.5 271 63.546 5.29232e-05 -3.47347 63.546000 Cu 0.96802 0.854177 2.83137e-16 275 63.546 5.29232e-05 -3.47347 63.546000 Cu 0.922568 0.871209 0.25 326 63.546 0.000164579 -3.47344 63.546000 Cu 0.922568 0.871209 0.75 327 63.546 0.000164579 -3.47344 63.546000 Cu 0.0893099 0.892152 0.5 276 63.546 0.00200156 -3.47275 63.546000 Cu 0.0893099 0.892152 1.95039e-16 278 63.546 0.00200156 -3.47275 63.546000 Cu 0.0440409 0.909268 0.25 334 63.546 0.00692119 -3.47176 63.546000 Cu 0.0440409 0.909268 0.75 335 63.546 0.00692119 -3.47176 63.546000 Cu 0.150723 0.910966 0.5 501 63.546 0.0023656 -3.4734 63.546000 Cu 0.150723 0.910966 4.60862e-16 509 63.546 0.0023656 -3.4734 63.546000 Cu 0.301773 0.895931 0.5 471 63.546 0.000862268 -3.4734 63.546000 Cu 0.301773 0.895931 1 481 63.546 0.000862268 -3.4734 63.546000 Cu 0.19574 0.893942 0.25 499 63.546 0.00144302 -3.4733 63.546000 Cu 0.19574 0.893942 0.75 500 63.546 0.00144302 -3.4733 63.546000 Cu 0.407375 0.898032 0.25 467 63.546 0.00409783 -3.47216 63.546000 Cu 0.407375 0.898032 0.75 480 63.546 0.00409783 -3.47216 63.546000 Cu 0.557971 0.883019 0.25 427 63.546 0.00927775 -3.47135 63.546000 Cu 0.619068 0.901773 0.25 436 63.546 0.000663007 -3.47266 63.546000 Cu 0.619068 0.901773 0.75 437 63.546 0.000663007 -3.47266 63.546000 Cu 0.512303 0.900257 0.5 438 63.546 0.0231191 -3.46977 63.546000 Cu 0.557971 0.883019 0.75 440 63.546 0.00927775 -3.47135 63.546000 Cu 0.512303 0.900257 8.71819e-16 442 63.546 0.0231191 -3.46977 63.546000 Cu 0.664569 0.884646 0.5 384 63.546 0.00043872 -3.47305 63.546000 Cu 0.664569 0.884646 2.80591e-16 388 63.546 0.00043872 -3.47305 63.546000 Cu 0.771094 0.886377 0.25 382 63.546 0.000600425 -3.47366 63.546000 Cu 0.771094 0.886377 0.75 383 63.546 0.000600425 -3.47366 63.546000 Cu 0.725925 0.903411 0.5 385 63.546 0.00120825 -3.4734 63.546000 Cu 0.725925 0.903411 6.91887e-16 395 63.546 0.00120825 -3.4734 63.546000 Cu 0.832437 0.905243 0.25 381 63.546 0.00130139 -3.47373 63.546000 Cu 0.832437 0.905243 0.75 394 63.546 0.00130139 -3.47373 63.546000 Cu 0.983426 0.890181 0.25 325 63.546 0.00032319 -3.47312 63.546000 Cu 0.877385 0.888241 0.5 329 63.546 0.000371723 -3.47361 63.546000 Cu 0.938468 0.907235 0.5 336 63.546 0.00159599 -3.47293 63.546000 Cu 0.983426 0.890181 0.75 338 63.546 0.00032319 -3.47312 63.546000 Cu 0.877385 0.888241 4.19274e-16 339 63.546 0.000371723 -3.47361 63.546000 Cu 0.938468 0.907235 3.39493e-19 340 63.546 0.00159599 -3.47293 63.546000 Cu 0.105422 0.927958 0.25 333 63.546 0.00489157 -3.47236 63.546000 Cu 0.105422 0.927958 0.75 343 63.546 0.00489157 -3.47236 63.546000 Cu 0.257003 0.912937 0.25 498 63.546 0.00200431 -3.47381 63.546000 Cu 0.318064 0.932086 0.25 504 63.546 0.0764362 -3.46669 63.546000 Cu 0.318064 0.932086 0.75 505 63.546 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