Number of particles = 920 A = 1 Angstrom (basic length-scale) H0(1,1) = 27.4284 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 110.075 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61287 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 0.0758651 0.0145272 5.83459e-17 481 63.546 3.96167 -3.00769 63.546000 Cu 0.0165656 0.0185851 0.5 482 63.546 1.05288 -3.38927 63.546000 Cu 0.134776 0.0052597 0.5 484 63.546 3.00572 -3.4784 63.546000 Cu 0.0406922 0.0347867 1.81857e-17 496 63.546 0.251057 -3.40011 63.546000 Cu 0.129315 0.0424762 6.92619e-17 497 63.546 0.0495547 -3.50423 63.546000 Cu 0.10387 0.0280431 0.5 498 63.546 0.16696 -3.38682 63.546000 Cu 0.164002 0.0198513 3.3183e-17 500 63.546 0.899909 -3.43265 63.546000 Cu 0.189452 0.036 0.5 503 63.546 0.0432488 -3.45888 63.546000 Cu 0.248772 0.0294062 4.6042e-17 501 63.546 0.0661498 -3.42438 63.546000 Cu 0.22049 0.0141999 0.5 502 63.546 1.21147 -3.26814 63.546000 Cu 0.279544 0.00644821 1 504 63.546 2.96722 -3.5463 63.546000 Cu 0.372105 0.0161938 2.66034e-17 505 63.546 1.01626 -3.34611 63.546000 Cu 0.339642 0.00376265 0.5 506 63.546 8.6894 -2.84479 63.546000 Cu 0.306718 0.0236156 0.5 507 63.546 0.472626 -3.3461 63.546000 Cu 0.275184 0.0449557 0.5 529 63.546 0.0517096 -3.44284 63.546000 Cu 0.336196 0.0379194 1 531 63.546 0.0309866 -3.4721 63.546000 Cu 0.397014 0.0305036 0.5 533 63.546 0.335772 -3.48216 63.546000 Cu 0.494574 0.00424017 3.01145e-17 508 63.546 11.5735 -2.99885 63.546000 Cu 0.432508 0.00525446 0.5 509 63.546 8.23924 -3.75449 63.546000 Cu 0.422194 0.046348 1.21013e-17 532 63.546 0.0226779 -3.48923 63.546000 Cu 0.455941 0.0243864 1 535 63.546 0.383949 -3.41094 63.546000 Cu 0.540692 0.0347867 1 536 63.546 0.251057 -3.40011 63.546000 Cu 0.516566 0.0185851 0.5 537 63.546 1.05288 -3.38927 63.546000 Cu 0.481451 0.0402864 0.5 538 63.546 0.0202781 -3.45528 63.546000 Cu 0.575865 0.0145272 1.48022e-17 539 63.546 3.96167 -3.00769 63.546000 Cu 0.779544 0.00644821 4.1263e-19 468 63.546 2.96722 -3.5463 63.546000 Cu 0.72049 0.0141999 0.5 469 63.546 1.21147 -3.26814 63.546000 Cu 0.748772 0.0294062 4.27635e-19 472 63.546 0.0661498 -3.42438 63.546000 Cu 0.775184 0.0449557 0.5 475 63.546 0.0517096 -3.44284 63.546000 Cu 0.664002 0.0198513 1 540 63.546 0.899909 -3.43265 63.546000 Cu 0.634776 0.0052597 0.5 541 63.546 3.00572 -3.4784 63.546000 Cu 0.60387 0.0280431 0.5 542 63.546 0.16696 -3.38682 63.546000 Cu 0.629315 0.0424762 1 573 63.546 0.0495547 -3.50423 63.546000 Cu 0.689452 0.036 0.5 574 63.546 0.0432488 -3.45888 63.546000 Cu 0.839642 0.00376265 0.5 470 63.546 8.6894 -2.84479 63.546000 Cu 0.836196 0.0379194 1.50047e-20 473 63.546 0.0309866 -3.4721 63.546000 Cu 0.806718 0.0236156 0.5 474 63.546 0.472626 -3.3461 63.546000 Cu 0.872105 0.0161938 7.50237e-20 476 63.546 1.01626 -3.34611 63.546000 Cu 0.955941 0.0243864 1 477 63.546 0.383949 -3.41094 63.546000 Cu 0.932508 0.00525446 0.5 478 63.546 8.23924 -3.75449 63.546000 Cu 0.897014 0.0305036 0.5 479 63.546 0.335772 -3.48216 63.546000 Cu 0.994574 0.00424017 1 480 63.546 11.5735 -2.99885 63.546000 Cu 0.922194 0.046348 1 492 63.546 0.0226779 -3.48923 63.546000 Cu 0.981451 0.0402864 0.5 494 63.546 0.0202781 -3.45528 63.546000 Cu 0.0073386 0.055929 4.45941e-17 493 63.546 0.0436438 -3.45844 63.546000 Cu 0.068132 0.0493954 0.5 499 63.546 0.0172972 -3.4816 63.546000 Cu 0.0602019 0.0859043 1.71954e-17 520 63.546 0.000375444 -3.49678 63.546000 Cu 0.0339677 0.0709091 0.5 521 63.546 0.00486937 -3.48579 63.546000 Cu 0.0944866 0.0642309 1.00022e-16 523 63.546 0.00447284 -3.5025 63.546000 Cu 0.180789 0.0728508 1.72464e-16 524 63.546 0.000371849 -3.49254 63.546000 Cu 0.154851 0.0576784 0.5 525 63.546 0.0032994 -3.49958 63.546000 Cu 0.120556 0.0793438 0.5 526 63.546 0.000723994 -3.49852 63.546000 Cu 0.146546 0.094487 8.68099e-17 557 63.546 4.53725e-05 -3.49463 63.546000 Cu 0.215213 0.0512419 6.33125e-17 527 63.546 0.00370456 -3.47887 63.546000 Cu 0.302004 0.0597219 2.26196e-17 528 63.546 0.00454793 -3.48752 63.546000 Cu 0.241135 0.066415 0.5 530 63.546 0.00573112 -3.48203 63.546000 Cu 0.362526 0.0528197 0.5 534 63.546 0.0376132 -3.50609 63.546000 Cu 0.206899 0.0879843 0.5 559 63.546 0.000708535 -3.49149 63.546000 Cu 0.267413 0.081389 1.81857e-17 561 63.546 0.000654967 -3.49544 63.546000 Cu 0.353658 0.0899663 9.10862e-17 562 63.546 0.00227618 -3.49958 63.546000 Cu 0.327929 0.0747262 0.5 563 63.546 0.00725777 -3.50348 63.546000 Cu 0.388079 0.0682128 3.62364e-18 565 63.546 0.00761396 -3.49899 63.546000 Cu 0.473619 0.0773558 1 566 63.546 0.00874623 -3.47965 63.546000 Cu 0.447755 0.0619631 0.5 567 63.546 0.00382022 -3.48066 63.546000 Cu 0.413644 0.0836061 0.5 568 63.546 0.000873059 -3.49126 63.546000 Cu 0.507339 0.055929 4.4264e-19 569 63.546 0.0436438 -3.45844 63.546000 Cu 0.594487 0.0642309 1 570 63.546 0.00447284 -3.5025 63.546000 Cu 0.568132 0.0493954 0.5 571 63.546 0.0172972 -3.4816 63.546000 Cu 0.533968 0.0709091 0.5 572 63.546 0.00486937 -3.48579 63.546000 Cu 0.499795 0.0924541 0.5 602 63.546 0.00156247 -3.49018 63.546000 Cu 0.560202 0.0859043 6.07692e-19 604 63.546 0.000375444 -3.49678 63.546000 Cu 0.715213 0.0512419 1 471 63.546 0.00370456 -3.47887 63.546000 Cu 0.767413 0.081389 1 485 63.546 0.000654967 -3.49544 63.546000 Cu 0.741135 0.066415 0.5 486 63.546 0.00573112 -3.48203 63.546000 Cu 0.706899 0.0879843 0.5 487 63.546 0.000708535 -3.49149 63.546000 Cu 0.654851 0.0576784 0.5 575 63.546 0.0032994 -3.49958 63.546000 Cu 0.646546 0.094487 2.62583e-19 605 63.546 4.53725e-05 -3.49463 63.546000 Cu 0.620556 0.0793438 0.5 606 63.546 0.000723994 -3.49852 63.546000 Cu 0.680789 0.0728508 4.95156e-19 608 63.546 0.000371849 -3.49254 63.546000 Cu 0.802004 0.0597219 1 488 63.546 0.00454793 -3.48752 63.546000 Cu 0.888079 0.0682128 0 489 63.546 0.00761396 -3.49899 63.546000 Cu 0.862526 0.0528197 0.5 490 63.546 0.0376132 -3.50609 63.546000 Cu 0.827929 0.0747262 0.5 491 63.546 0.00725777 -3.50348 63.546000 Cu 0.947755 0.0619631 0.5 495 63.546 0.00382022 -3.48066 63.546000 Cu 0.853658 0.0899663 1 515 63.546 0.00227618 -3.49958 63.546000 Cu 0.913644 0.0836061 0.5 517 63.546 0.000873059 -3.49126 63.546000 Cu 0.973619 0.0773558 1 519 63.546 0.00874623 -3.47965 63.546000 Cu 0.999795 0.0924541 0.5 522 63.546 0.00156247 -3.49018 63.546000 Cu 0.0259014 0.107529 4.40239e-17 553 63.546 9.76412e-05 -3.49519 63.546000 Cu 0.112233 0.116121 8.2526e-19 554 63.546 3.16148e-05 -3.49444 63.546000 Cu 0.0862416 0.100996 0.5 555 63.546 0.000114114 -3.49663 63.546000 Cu 0.0518835 0.122625 0.5 556 63.546 1.80547e-05 -3.49495 63.546000 Cu 0.172588 0.109604 0.5 560 63.546 9.9414e-05 -3.49379 63.546000 Cu 0.0778132 0.137734 1 588 63.546 6.97623e-06 -3.49478 63.546000 Cu 0.138206 0.131224 0.5 590 63.546 1.62429e-05 -3.4942 63.546000 Cu 0.198595 0.124697 5.02659e-19 592 63.546 9.35498e-05 -3.49545 63.546000 Cu 0.233012 0.103048 3.82621e-19 558 63.546 0.000174406 -3.49587 63.546000 Cu 0.293438 0.0964729 0.5 564 63.546 0.0018217 -3.49998 63.546000 Cu 0.284818 0.13333 3.75118e-19 593 63.546 0.000246532 -3.49606 63.546000 Cu 0.258985 0.118161 0.5 594 63.546 0.000613345 -3.49772 63.546000 Cu 0.2245 0.139818 0.5 595 63.546 0.000189671 -3.49595 63.546000 Cu 0.319257 0.111666 1 596 63.546 0.000690964 -3.49771 63.546000 Cu 0.379411 0.10525 0.5 598 63.546 0.000227673 -3.494 63.546000 Cu 0.345034 0.126888 0.5 599 63.546 7.48222e-05 -3.49425 63.546000 Cu 0.370874 0.142067 1 631 63.546 0.000128594 -3.49305 63.546000 Cu 0.405251 0.12047 1 597 63.546 0.000474693 -3.49183 63.546000 Cu 0.439514 0.0988928 4.50142e-19 600 63.546 0.0020502 -3.48922 63.546000 Cu 0.525901 0.107529 6.52706e-19 601 63.546 9.76412e-05 -3.49519 63.546000 Cu 0.465533 0.114031 0.5 603 63.546 0.000604223 -3.49187 63.546000 Cu 0.586242 0.100996 0.5 607 63.546 0.000114114 -3.49663 63.546000 Cu 0.431159 0.135617 0.5 633 63.546 0.000239187 -3.49299 63.546000 Cu 0.491514 0.129132 1 635 63.546 6.01116e-05 -3.49426 63.546000 Cu 0.577813 0.137734 1 636 63.546 6.97623e-06 -3.49478 63.546000 Cu 0.551884 0.122625 0.5 637 63.546 1.80547e-05 -3.49495 63.546000 Cu 0.698595 0.124697 8.66298e-17 510 63.546 9.35498e-05 -3.49545 63.546000 Cu 0.733012 0.103048 7.50237e-20 511 63.546 0.000174406 -3.49587 63.546000 Cu 0.793438 0.0964729 0.5 513 63.546 0.0018217 -3.49998 63.546000 Cu 0.758985 0.118161 0.5 514 63.546 0.000613345 -3.49772 63.546000 Cu 0.7245 0.139818 0.5 544 63.546 0.000189671 -3.49595 63.546000 Cu 0.784818 0.13333 1 545 63.546 0.000246532 -3.49606 63.546000 Cu 0.612233 0.116121 1 639 63.546 3.16148e-05 -3.49444 63.546000 Cu 0.672588 0.109604 0.5 640 63.546 9.9414e-05 -3.49379 63.546000 Cu 0.638206 0.131224 0.5 641 63.546 1.62429e-05 -3.4942 63.546000 Cu 0.819257 0.111666 1 512 63.546 0.000690964 -3.49771 63.546000 Cu 0.939514 0.0988928 1 516 63.546 0.0020502 -3.48922 63.546000 Cu 0.879411 0.10525 0.5 518 63.546 0.000227673 -3.494 63.546000 Cu 0.870874 0.142067 1.05033e-19 546 63.546 0.000128594 -3.49305 63.546000 Cu 0.845034 0.126888 0.5 547 63.546 7.48222e-05 -3.49425 63.546000 Cu 0.905251 0.12047 4.20133e-19 549 63.546 0.000474693 -3.49183 63.546000 Cu 0.991514 0.129132 1 550 63.546 6.01116e-05 -3.49426 63.546000 Cu 0.965533 0.114031 0.5 551 63.546 0.000604223 -3.49187 63.546000 Cu 0.931159 0.135617 0.5 552 63.546 0.000239187 -3.49299 63.546000 Cu 0.0433411 0.159341 1 585 63.546 1.33707e-05 -3.49487 63.546000 Cu 0.0174511 0.144234 0.5 586 63.546 1.1195e-05 -3.49507 63.546000 Cu 0.164138 0.146329 1 589 63.546 6.50516e-05 -3.49493 63.546000 Cu 0.103743 0.152838 0.5 591 63.546 2.36844e-05 -3.49491 63.546000 Cu 0.00878134 0.180938 1 619 63.546 2.042e-06 -3.49414 63.546000 Cu 0.0949973 0.189548 1 620 63.546 1.39029e-05 -3.49489 63.546000 Cu 0.0691798 0.174443 0.5 621 63.546 6.34486e-06 -3.4945 63.546000 Cu 0.129588 0.167945 1 623 63.546 3.05689e-05 -3.49502 63.546000 Cu 0.18997 0.161445 0.5 625 63.546 8.83505e-05 -3.49518 63.546000 Cu 0.155383 0.183062 0.5 626 63.546 2.7276e-05 -3.49533 63.546000 Cu 0.215741 0.176582 5.25166e-20 624 63.546 2.86572e-05 -3.49539 63.546000 Cu 0.250311 0.154963 4.35137e-18 627 63.546 9.58247e-05 -3.49506 63.546000 Cu 0.336393 0.163666 1 628 63.546 5.28864e-05 -3.49398 63.546000 Cu 0.3106 0.148508 0.5 629 63.546 2.42503e-05 -3.49438 63.546000 Cu 0.276082 0.170116 0.5 630 63.546 1.39694e-05 -3.49465 63.546000 Cu 0.396732 0.157209 0.5 634 63.546 0.000101744 -3.49379 63.546000 Cu 0.301851 0.185258 4.50142e-19 662 63.546 2.17371e-05 -3.49392 63.546000 Cu 0.362195 0.178798 0.5 664 63.546 5.08039e-05 -3.49371 63.546000 Cu 0.457075 0.150731 1 632 63.546 5.99108e-05 -3.49438 63.546000 Cu 0.517451 0.144234 0.5 638 63.546 1.1195e-05 -3.49507 63.546000 Cu 0.422556 0.172326 1 666 63.546 4.5013e-05 -3.49406 63.546000 Cu 0.508781 0.180938 1 667 63.546 2.042e-06 -3.49414 63.546000 Cu 0.482945 0.165838 0.5 668 63.546 1.55501e-05 -3.49463 63.546000 Cu 0.448386 0.187429 0.5 669 63.546 1.4579e-05 -3.49393 63.546000 Cu 0.543341 0.159341 1 670 63.546 1.33707e-05 -3.49487 63.546000 Cu 0.56918 0.174443 0.5 673 63.546 6.34486e-06 -3.4945 63.546000 Cu 0.594997 0.189548 0 705 63.546 1.39029e-05 -3.49489 63.546000 Cu 0.750311 0.154963 1 543 63.546 9.58247e-05 -3.49506 63.546000 Cu 0.715741 0.176582 1.81857e-17 576 63.546 2.86572e-05 -3.49539 63.546000 Cu 0.776082 0.170116 0.5 578 63.546 1.39694e-05 -3.49465 63.546000 Cu 0.629588 0.167945 1 671 63.546 3.05689e-05 -3.49502 63.546000 Cu 0.603743 0.152838 0.5 672 63.546 2.36844e-05 -3.49491 63.546000 Cu 0.664138 0.146329 1 674 63.546 6.50516e-05 -3.49493 63.546000 Cu 0.68997 0.161445 0.5 675 63.546 8.83505e-05 -3.49518 63.546000 Cu 0.655383 0.183062 0.5 707 63.546 2.7276e-05 -3.49533 63.546000 Cu 0.8106 0.148508 0.5 548 63.546 2.42503e-05 -3.49438 63.546000 Cu 0.801851 0.185258 1 577 63.546 2.17371e-05 -3.49392 63.546000 Cu 0.836393 0.163666 1.14674e-16 580 63.546 5.28864e-05 -3.49398 63.546000 Cu 0.922556 0.172326 2.77588e-19 581 63.546 4.5013e-05 -3.49406 63.546000 Cu 0.896732 0.157209 0.5 582 63.546 0.000101744 -3.49379 63.546000 Cu 0.862195 0.178798 0.5 583 63.546 5.08039e-05 -3.49371 63.546000 Cu 0.957075 0.150731 1 584 63.546 5.99108e-05 -3.49438 63.546000 Cu 0.982945 0.165838 0.5 587 63.546 1.55501e-05 -3.49463 63.546000 Cu 0.948386 0.187429 0.5 617 63.546 1.4579e-05 -3.49393 63.546000 Cu 0.0346165 0.196035 0.5 622 63.546 8.03454e-06 -3.4945 63.546000 Cu 0.0259264 0.232728 1.87559e-19 651 63.546 7.85793e-06 -3.49434 63.546000 Cu 0.0604555 0.211141 1 654 63.546 7.18313e-06 -3.49488 63.546000 Cu 0.146635 0.219778 1 655 63.546 6.21001e-06 -3.49479 63.546000 Cu 0.120821 0.204662 0.5 656 63.546 9.80228e-06 -3.49488 63.546000 Cu 0.0862828 0.226252 0.5 657 63.546 7.40461e-06 -3.49466 63.546000 Cu 0.181177 0.198185 1.81857e-17 658 63.546 1.09237e-05 -3.49484 63.546000 Cu 0.172449 0.234898 0.5 691 63.546 1.29903e-06 -3.49491 63.546000 Cu 8.70946e-05 0.217625 0.5 652 63.546 3.66577e-06 -3.49505 63.546000 Cu 0.267316 0.206844 1 659 63.546 4.03034e-06 -3.49434 63.546000 Cu 0.24152 0.191718 0.5 660 63.546 6.64172e-06 -3.49444 63.546000 Cu 0.206975 0.213309 0.5 661 63.546 1.802e-06 -3.49473 63.546000 Cu 0.388015 0.19391 1 663 63.546 2.78567e-05 -3.49379 63.546000 Cu 0.327654 0.200381 0.5 665 63.546 2.43838e-05 -3.49394 63.546000 Cu 0.232791 0.228432 1 693 63.546 5.53796e-06 -3.49497 63.546000 Cu 0.318978 0.237074 1 694 63.546 1.81457e-05 -3.49421 63.546000 Cu 0.293134 0.221965 0.5 695 63.546 1.50436e-05 -3.49498 63.546000 Cu 0.35349 0.215492 1.81857e-17 697 63.546 1.41778e-05 -3.49493 63.546000 Cu 0.379343 0.230597 0.5 700 63.546 1.29449e-05 -3.49452 63.546000 Cu 0.439714 0.224112 5.97113e-17 698 63.546 3.18666e-06 -3.49493 63.546000 Cu 0.413857 0.209011 0.5 699 63.546 5.19298e-06 -3.49479 63.546000 Cu 0.474235 0.202524 1 701 63.546 1.9694e-06 -3.49462 63.546000 Cu 0.560455 0.211141 2.65509e-17 702 63.546 7.18313e-06 -3.49488 63.546000 Cu 0.534616 0.196035 0.5 703 63.546 8.03454e-06 -3.4945 63.546000 Cu 0.500087 0.217625 0.5 704 63.546 3.66577e-06 -3.49505 63.546000 Cu 0.525926 0.232728 1 736 63.546 7.85793e-06 -3.49434 63.546000 Cu 0.586283 0.226252 0.5 738 63.546 7.40461e-06 -3.49466 63.546000 Cu 0.74152 0.191718 0.5 579 63.546 6.64172e-06 -3.49444 63.546000 Cu 0.732791 0.228432 1 609 63.546 5.53796e-06 -3.49497 63.546000 Cu 0.706975 0.213309 0.5 610 63.546 1.802e-06 -3.49473 63.546000 Cu 0.767316 0.206844 1 611 63.546 4.03034e-06 -3.49434 63.546000 Cu 0.793134 0.221965 0.5 614 63.546 1.50436e-05 -3.49498 63.546000 Cu 0.681177 0.198185 1 706 63.546 1.09237e-05 -3.49484 63.546000 Cu 0.620821 0.204662 0.5 708 63.546 9.80228e-06 -3.49488 63.546000 Cu 0.646635 0.219778 1 740 63.546 6.21001e-06 -3.49479 63.546000 Cu 0.672449 0.234898 0.5 741 63.546 1.29903e-06 -3.49491 63.546000 Cu 0.85349 0.215492 1.81857e-17 612 63.546 1.41778e-05 -3.49493 63.546000 Cu 0.827654 0.200381 0.5 613 63.546 2.43838e-05 -3.49394 63.546000 Cu 0.888015 0.19391 1 615 63.546 2.78567e-05 -3.49379 63.546000 Cu 0.974235 0.202524 1.50047e-19 616 63.546 1.9694e-06 -3.49462 63.546000 Cu 0.913857 0.209011 0.5 618 63.546 5.19298e-06 -3.49479 63.546000 Cu 0.818978 0.237074 1.01139e-16 646 63.546 1.81457e-05 -3.49421 63.546000 Cu 0.879343 0.230597 0.5 648 63.546 1.29449e-05 -3.49452 63.546000 Cu 0.939714 0.224112 1 650 63.546 3.18666e-06 -3.49493 63.546000 Cu 0.0775894 0.262948 1 686 63.546 2.09615e-06 -3.49491 63.546000 Cu 0.051761 0.247833 0.5 687 63.546 9.26203e-06 -3.49445 63.546000 Cu 0.0172466 0.269416 0.5 688 63.546 5.79e-06 -3.49492 63.546000 Cu 0.112106 0.241365 1 689 63.546 2.47706e-06 -3.49467 63.546000 Cu 0.198274 0.250014 1 690 63.546 6.33582e-06 -3.49441 63.546000 Cu 0.137929 0.256481 0.5 692 63.546 8.22135e-07 -3.49465 63.546000 Cu 0.0430657 0.284535 1 720 63.546 9.70251e-07 -3.49437 63.546000 Cu 0.103402 0.278067 0.5 722 63.546 2.58406e-06 -3.4946 63.546000 Cu 0.163748 0.271596 1 724 63.546 6.25151e-06 -3.49461 63.546000 Cu 0.258622 0.243546 0.5 696 63.546 1.59639e-05 -3.49417 63.546000 Cu 0.249936 0.280225 1 725 63.546 6.87719e-06 -3.49499 63.546000 Cu 0.2241 0.265122 0.5 726 63.546 8.53622e-06 -3.49433 63.546000 Cu 0.284463 0.258645 9.8281e-19 728 63.546 5.24405e-06 -3.49392 63.546000 Cu 0.370685 0.26726 8.77777e-19 729 63.546 5.16857e-06 -3.49472 63.546000 Cu 0.344828 0.252168 0.5 730 63.546 1.43285e-06 -3.49359 63.546000 Cu 0.310314 0.273742 0.5 731 63.546 1.78175e-06 -3.49497 63.546000 Cu 0.396546 0.282362 0.5 765 63.546 8.16869e-06 -3.49477 63.546000 Cu 0.405198 0.245688 1 732 63.546 4.5223e-07 -3.49356 63.546000 Cu 0.491409 0.254305 5.07385e-17 733 63.546 1.40383e-05 -3.49431 63.546000 Cu 0.465562 0.239208 0.5 734 63.546 4.04878e-06 -3.49388 63.546000 Cu 0.431054 0.260781 0.5 735 63.546 1.29033e-05 -3.49446 63.546000 Cu 0.551761 0.247833 0.5 739 63.546 9.26203e-06 -3.49445 63.546000 Cu 0.456905 0.275887 1 767 63.546 1.13731e-05 -3.49487 63.546000 Cu 0.543066 0.284535 1 768 63.546 9.70251e-07 -3.49437 63.546000 Cu 0.517247 0.269416 0.5 769 63.546 5.79e-06 -3.49492 63.546000 Cu 0.577589 0.262948 1.05498e-16 771 63.546 2.09615e-06 -3.49491 63.546000 Cu 0.698274 0.250014 2.31748e-17 642 63.546 6.33582e-06 -3.49441 63.546000 Cu 0.784463 0.258645 1.38126e-16 643 63.546 5.24405e-06 -3.49392 63.546000 Cu 0.758622 0.243546 0.5 644 63.546 1.59639e-05 -3.49417 63.546000 Cu 0.7241 0.265122 0.5 645 63.546 8.53622e-06 -3.49433 63.546000 Cu 0.749936 0.280225 1.63417e-16 677 63.546 6.87719e-06 -3.49499 63.546000 Cu 0.612106 0.241365 4.40539e-17 737 63.546 2.47706e-06 -3.49467 63.546000 Cu 0.663748 0.271596 2.8464e-17 772 63.546 6.25151e-06 -3.49461 63.546000 Cu 0.637929 0.256481 0.5 773 63.546 8.22135e-07 -3.49465 63.546000 Cu 0.603402 0.278067 0.5 774 63.546 2.58406e-06 -3.4946 63.546000 Cu 0.905198 0.245688 1.81857e-17 647 63.546 4.5223e-07 -3.49356 63.546000 Cu 0.844828 0.252168 0.5 649 63.546 1.43285e-06 -3.49359 63.546000 Cu 0.965562 0.239208 0.5 653 63.546 4.04878e-06 -3.49388 63.546000 Cu 0.810314 0.273742 0.5 679 63.546 1.78175e-06 -3.49497 63.546000 Cu 0.870685 0.26726 1.85286e-16 681 63.546 5.16857e-06 -3.49472 63.546000 Cu 0.956905 0.275887 1.32109e-16 682 63.546 1.13731e-05 -3.49487 63.546000 Cu 0.931054 0.260781 0.5 683 63.546 1.29033e-05 -3.49446 63.546000 Cu 0.896546 0.282362 0.5 684 63.546 8.16869e-06 -3.49477 63.546000 Cu 0.991409 0.254305 1 685 63.546 1.40383e-05 -3.49431 63.546000 Cu 0.00852591 0.306123 3.26653e-17 717 63.546 8.96047e-06 -3.49448 63.546000 Cu 0.129208 0.293183 1.36093e-17 721 63.546 1.27084e-05 -3.49476 63.546000 Cu 0.0688692 0.299655 0.5 723 63.546 7.67888e-06 -3.49474 63.546000 Cu 0.189572 0.286706 0.5 727 63.546 9.03006e-06 -3.49488 63.546000 Cu 0.0343042 0.321259 0.5 753 63.546 2.50089e-05 -3.49543 63.546000 Cu 0.0946568 0.314781 3.67616e-19 755 63.546 3.03047e-05 -3.49533 63.546000 Cu 0.180862 0.3234 1.72554e-19 756 63.546 4.99533e-06 -3.49457 63.546000 Cu 0.155033 0.308296 0.5 757 63.546 1.6018e-05 -3.49496 63.546000 Cu 0.120453 0.329896 0.5 758 63.546 3.27923e-05 -3.4949 63.546000 Cu 0.215414 0.301811 1.81857e-17 759 63.546 8.43344e-06 -3.49468 63.546000 Cu 0.30165 0.310417 2.82239e-17 760 63.546 1.84096e-05 -3.4942 63.546000 Cu 0.275797 0.295324 0.5 761 63.546 2.31165e-06 -3.49463 63.546000 Cu 0.241248 0.316908 0.5 762 63.546 1.76769e-06 -3.49441 63.546000 Cu 0.336178 0.288841 1 763 63.546 3.93512e-06 -3.49456 63.546000 Cu 0.362024 0.303938 0.5 766 63.546 2.35704e-05 -3.49371 63.546000 Cu 0.267082 0.332005 5.63653e-17 793 63.546 1.6866e-05 -3.49446 63.546000 Cu 0.327479 0.325519 0.5 795 63.546 4.32321e-05 -3.49418 63.546000 Cu 0.387841 0.319048 1.31592e-17 797 63.546 3.8744e-05 -3.49399 63.546000 Cu 0.422387 0.297467 5.62678e-19 764 63.546 2.00642e-05 -3.4938 63.546000 Cu 0.482728 0.291001 0.5 770 63.546 6.46109e-06 -3.49401 63.546000 Cu 0.473968 0.327724 2.17569e-19 798 63.546 1.07424e-05 -3.49494 63.546000 Cu 0.448199 0.312584 0.5 799 63.546 3.16167e-05 -3.49422 63.546000 Cu 0.508526 0.306123 1 801 63.546 8.96047e-06 -3.49448 63.546000 Cu 0.594657 0.314781 4.50142e-20 802 63.546 3.03047e-05 -3.49533 63.546000 Cu 0.568869 0.299655 0.5 803 63.546 7.67888e-06 -3.49474 63.546000 Cu 0.534304 0.321259 0.5 804 63.546 2.50089e-05 -3.49543 63.546000 Cu 0.715414 0.301811 1 676 63.546 8.43344e-06 -3.49468 63.546000 Cu 0.775797 0.295324 0.5 680 63.546 2.31165e-06 -3.49463 63.546000 Cu 0.767082 0.332005 1 709 63.546 1.6866e-05 -3.49446 63.546000 Cu 0.741248 0.316908 0.5 710 63.546 1.76769e-06 -3.49441 63.546000 Cu 0.629208 0.293183 7.24879e-17 805 63.546 1.27084e-05 -3.49476 63.546000 Cu 0.689572 0.286706 0.5 806 63.546 9.03006e-06 -3.49488 63.546000 Cu 0.655033 0.308296 0.5 807 63.546 1.6018e-05 -3.49496 63.546000 Cu 0.620453 0.329896 0.5 838 63.546 3.27923e-05 -3.4949 63.546000 Cu 0.680862 0.3234 1.65052e-19 840 63.546 4.99533e-06 -3.49457 63.546000 Cu 0.836178 0.288841 2.26541e-16 678 63.546 3.93512e-06 -3.49456 63.546000 Cu 0.80165 0.310417 1 712 63.546 1.84096e-05 -3.4942 63.546000 Cu 0.887841 0.319048 5.25166e-19 713 63.546 3.8744e-05 -3.49399 63.546000 Cu 0.862024 0.303938 0.5 714 63.546 2.35704e-05 -3.49371 63.546000 Cu 0.827479 0.325519 0.5 715 63.546 4.32321e-05 -3.49418 63.546000 Cu 0.922387 0.297467 2.35124e-17 716 63.546 2.00642e-05 -3.4938 63.546000 Cu 0.982728 0.291001 0.5 718 63.546 6.46109e-06 -3.49401 63.546000 Cu 0.948199 0.312584 0.5 719 63.546 3.16167e-05 -3.49422 63.546000 Cu 0.973968 0.327724 1.51488e-16 751 63.546 1.07424e-05 -3.49494 63.546000 Cu 0.060079 0.336391 1 752 63.546 7.70575e-05 -3.49534 63.546000 Cu 0.0255514 0.358017 4.85478e-17 785 63.546 0.000185715 -3.49629 63.546000 Cu 0.111839 0.366604 2.60632e-17 786 63.546 2.15557e-05 -3.4938 63.546000 Cu 0.0859205 0.351505 0.5 787 63.546 4.56442e-05 -3.4948 63.546000 Cu 0.0514481 0.373131 0.5 788 63.546 8.80445e-05 -3.49539 63.546000 Cu 0.146307 0.344998 8.01253e-17 789 63.546 1.87633e-05 -3.49448 63.546000 Cu 0.172228 0.360098 0.5 792 63.546 7.17238e-06 -3.49414 63.546000 Cu 0.198183 0.375197 9.15514e-17 824 63.546 1.09444e-05 -3.49498 63.546000 Cu 0.23259 0.353596 1.54301e-16 790 63.546 1.7406e-05 -3.49424 63.546000 Cu 0.206702 0.338501 0.5 791 63.546 8.76494e-06 -3.49432 63.546000 Cu 0.353313 0.340633 1.89135e-17 794 63.546 9.95091e-05 -3.49341 63.546000 Cu 0.292969 0.347104 0.5 796 63.546 7.28444e-05 -3.49381 63.546000 Cu 0.258526 0.368694 0.5 826 63.546 9.72178e-05 -3.49441 63.546000 Cu 0.318883 0.362214 1.81857e-17 828 63.546 0.000309263 -3.4929 63.546000 Cu 0.379165 0.355772 0.5 830 63.546 0.000138348 -3.49311 63.546000 Cu 0.344781 0.377365 0.5 831 63.546 0.000472793 -3.49207 63.546000 Cu 0.413644 0.334178 0.5 800 63.546 4.55385e-05 -3.49403 63.546000 Cu 0.404975 0.370956 1 829 63.546 8.86844e-05 -3.49457 63.546000 Cu 0.439448 0.349332 1.81857e-17 832 63.546 3.0754e-05 -3.49479 63.546000 Cu 0.525551 0.358017 3.09698e-17 833 63.546 0.000185715 -3.49629 63.546000 Cu 0.499722 0.342876 0.5 834 63.546 0.000120904 -3.49551 63.546000 Cu 0.465217 0.364511 0.5 835 63.546 0.000294999 -3.4968 63.546000 Cu 0.560079 0.336391 1.81857e-17 836 63.546 7.70575e-05 -3.49534 63.546000 Cu 0.585921 0.351505 0.5 839 63.546 4.56442e-05 -3.4948 63.546000 Cu 0.49103 0.379673 1 867 63.546 0.000689136 -3.49796 63.546000 Cu 0.551448 0.373131 0.5 869 63.546 8.80445e-05 -3.49539 63.546000 Cu 0.706702 0.338501 0.5 711 63.546 8.76494e-06 -3.49432 63.546000 Cu 0.698183 0.375197 1 742 63.546 1.09444e-05 -3.49498 63.546000 Cu 0.73259 0.353596 2.47578e-19 743 63.546 1.7406e-05 -3.49424 63.546000 Cu 0.792969 0.347104 0.5 745 63.546 7.28444e-05 -3.49381 63.546000 Cu 0.758526 0.368694 0.5 746 63.546 9.72178e-05 -3.49441 63.546000 Cu 0.646307 0.344998 5.75507e-17 837 63.546 1.87633e-05 -3.49448 63.546000 Cu 0.611839 0.366604 1.56552e-16 871 63.546 2.15557e-05 -3.4938 63.546000 Cu 0.672228 0.360098 0.5 872 63.546 7.17238e-06 -3.49414 63.546000 Cu 0.999722 0.342876 0.5 754 63.546 0.000120904 -3.49551 63.546000 Cu 0.818883 0.362214 1 744 63.546 0.000309263 -3.4929 63.546000 Cu 0.853313 0.340633 1.2754e-19 747 63.546 9.95091e-05 -3.49341 63.546000 Cu 0.939448 0.349332 3.8142e-17 748 63.546 3.0754e-05 -3.49479 63.546000 Cu 0.913644 0.334178 0.5 749 63.546 4.55385e-05 -3.49403 63.546000 Cu 0.879165 0.355772 0.5 750 63.546 0.000138348 -3.49311 63.546000 Cu 0.844781 0.377365 0.5 779 63.546 0.000472793 -3.49207 63.546000 Cu 0.904975 0.370956 1.81857e-17 781 63.546 8.86844e-05 -3.49457 63.546000 Cu 0.99103 0.379673 1 782 63.546 0.000689136 -3.49796 63.546000 Cu 0.965217 0.364511 0.5 783 63.546 0.000294999 -3.4968 63.546000 Cu 0.0431703 0.409836 5.32668e-19 817 63.546 0.000653596 -3.49146 63.546000 Cu 0.0170288 0.394777 0.5 818 63.546 0.000179588 -3.49625 63.546000 Cu 0.077443 0.388218 1 820 63.546 0.000110529 -3.49368 63.546000 Cu 0.163841 0.396817 1 821 63.546 4.48438e-05 -3.49678 63.546000 Cu 0.137813 0.381701 0.5 822 63.546 4.1616e-05 -3.49438 63.546000 Cu 0.103529 0.403321 0.5 823 63.546 0.000113832 -3.49477 63.546000 Cu 0.0692584 0.42495 0.5 853 63.546 0.000442779 -3.49254 63.546000 Cu 0.129541 0.418464 2.10066e-19 855 63.546 0.000514115 -3.49881 63.546000 Cu 0.189872 0.411921 0.5 857 63.546 0.000448456 -3.49675 63.546000 Cu 0.284515 0.3838 1.81857e-17 825 63.546 0.000610984 -3.49249 63.546000 Cu 0.224166 0.390298 0.5 827 63.546 8.04143e-05 -3.49541 63.546000 Cu 0.216105 0.426914 1.65052e-19 856 63.546 0.00459578 -3.4856 63.546000 Cu 0.250257 0.405372 1 859 63.546 0.00149618 -3.48984 63.546000 Cu 0.336384 0.414219 1 860 63.546 0.00086159 -3.49111 63.546000 Cu 0.310538 0.39894 0.5 861 63.546 0.00197963 -3.48881 63.546000 Cu 0.276442 0.420471 0.5 862 63.546 0.00869233 -3.47931 63.546000 Cu 0.370633 0.392591 9.75308e-20 863 63.546 0.000213605 -3.49368 63.546000 Cu 0.396398 0.40787 0.5 866 63.546 0.00246594 -3.49927 63.546000 Cu 0.456611 0.401363 1 864 63.546 0.00195939 -3.49995 63.546000 Cu 0.430767 0.386176 0.5 865 63.546 0.000848154 -3.49758 63.546000 Cu 0.577443 0.388218 1.81857e-17 868 63.546 0.000110529 -3.49368 63.546000 Cu 0.517029 0.394777 0.5 870 63.546 0.000179588 -3.49625 63.546000 Cu 0.422096 0.423107 1 895 63.546 0.00797651 -3.50366 63.546000 Cu 0.482621 0.416436 0.5 897 63.546 0.000725362 -3.49517 63.546000 Cu 0.54317 0.409836 1 899 63.546 0.000653596 -3.49146 63.546000 Cu 0.569258 0.42495 0.5 902 63.546 0.000442779 -3.49254 63.546000 Cu 0.750257 0.405372 3.97625e-19 775 63.546 0.00149618 -3.48984 63.546000 Cu 0.724166 0.390298 0.5 776 63.546 8.04143e-05 -3.49541 63.546000 Cu 0.784515 0.3838 5.77682e-19 777 63.546 0.000610984 -3.49249 63.546000 Cu 0.716105 0.426914 2.65359e-17 808 63.546 0.00459578 -3.4856 63.546000 Cu 0.776442 0.420471 0.5 810 63.546 0.00869233 -3.47931 63.546000 Cu 0.637813 0.381701 0.5 873 63.546 4.1616e-05 -3.49438 63.546000 Cu 0.629541 0.418464 2.23871e-17 900 63.546 0.000514115 -3.49881 63.546000 Cu 0.603529 0.403321 0.5 901 63.546 0.000113832 -3.49477 63.546000 Cu 0.663841 0.396817 8.20684e-17 903 63.546 4.48438e-05 -3.49678 63.546000 Cu 0.689872 0.411921 0.5 904 63.546 0.000448456 -3.49675 63.546000 Cu 0.870633 0.392591 1 778 63.546 0.000213605 -3.49368 63.546000 Cu 0.810538 0.39894 0.5 780 63.546 0.00197963 -3.48881 63.546000 Cu 0.930767 0.386176 0.5 784 63.546 0.000848154 -3.49758 63.546000 Cu 0.836384 0.414219 1 812 63.546 0.00086159 -3.49111 63.546000 Cu 0.922096 0.423107 1 813 63.546 0.00797651 -3.50366 63.546000 Cu 0.896398 0.40787 0.5 814 63.546 0.00246594 -3.49927 63.546000 Cu 0.956611 0.401363 9.29393e-17 816 63.546 0.00195939 -3.49995 63.546000 Cu 0.982621 0.416436 0.5 819 63.546 0.000725362 -3.49517 63.546000 Cu 0.00891194 0.431398 4.31236e-17 851 63.546 0.00580779 -3.48159 63.546000 Cu 0.0952024 0.440124 1.87559e-19 852 63.546 0.00294415 -3.49999 63.546000 Cu 0.0348488 0.446557 0.5 854 63.546 0.00387473 -3.47886 63.546000 Cu 0.155557 0.433584 0.5 858 63.546 0.00457866 -3.50288 63.546000 Cu 0.0606022 0.461805 3.51036e-17 883 63.546 0.0416926 -3.45927 63.546000 Cu 0.146166 0.469777 1 884 63.546 0.16402 -3.38876 63.546000 Cu 0.120727 0.455329 0.5 885 63.546 0.048666 -3.50441 63.546000 Cu 0.181919 0.448425 1 887 63.546 0.0167989 -3.48146 63.546000 Cu 0.00127398 0.46839 0.5 881 63.546 0.0637184 -3.42525 63.546000 Cu 0.268555 0.45754 1 888 63.546 0.0200424 -3.45541 63.546000 Cu 0.242703 0.441896 0.5 889 63.546 0.0431487 -3.45838 63.546000 Cu 0.209325 0.463033 0.5 890 63.546 0.250246 -3.40065 63.546000 Cu 0.302287 0.435859 4.7535e-17 891 63.546 0.00375934 -3.4813 63.546000 Cu 0.387515 0.445017 4.1263e-19 892 63.546 0.0398459 -3.50596 63.546000 Cu 0.361986 0.429622 0.5 893 63.546 0.00792508 -3.4997 63.546000 Cu 0.327827 0.451476 0.5 894 63.546 0.0227937 -3.48988 63.546000 Cu 0.294053 0.473437 0.5 911 63.546 0.380383 -3.41155 63.546000 Cu 0.352985 0.467321 1 913 63.546 0.338489 -3.48267 63.546000 Cu 0.595202 0.440124 1 466 63.546 0.00294415 -3.49999 63.546000 Cu 0.508912 0.431398 1 896 63.546 0.00580779 -3.48159 63.546000 Cu 0.448055 0.438103 0.5 898 63.546 0.00439895 -3.48734 63.546000 Cu 0.443292 0.474188 1 914 63.546 0.465751 -3.34741 63.546000 Cu 0.413824 0.459892 0.5 915 63.546 0.0308257 -3.47186 63.546000 Cu 0.474884 0.452859 2.32573e-19 917 63.546 0.0510924 -3.44277 63.546000 Cu 0.560602 0.461805 1 918 63.546 0.0416926 -3.45927 63.546000 Cu 0.534849 0.446557 0.5 919 63.546 0.00387473 -3.47886 63.546000 Cu 0.501274 0.46839 0.5 920 63.546 0.0637184 -3.42525 63.546000 Cu 0.646166 0.469777 1.72554e-19 4 63.546 0.16402 -3.38876 63.546000 Cu 0.620727 0.455329 0.5 453 63.546 0.048666 -3.50441 63.546000 Cu 0.655557 0.433584 0.5 457 63.546 0.00457866 -3.50288 63.546000 Cu 0.681919 0.448425 1 464 63.546 0.0167989 -3.48146 63.546000 Cu 0.742703 0.441896 0.5 811 63.546 0.0431487 -3.45838 63.546000 Cu 0.709325 0.463033 0.5 842 63.546 0.250246 -3.40065 63.546000 Cu 0.768555 0.45754 7.53238e-18 843 63.546 0.0200424 -3.45541 63.546000 Cu 0.794053 0.473437 0.5 846 63.546 0.380383 -3.41155 63.546000 Cu 0.802287 0.435859 3.60489e-17 809 63.546 0.00375934 -3.4813 63.546000 Cu 0.861986 0.429622 0.5 815 63.546 0.00792508 -3.4997 63.546000 Cu 0.852985 0.467321 1.02182e-17 844 63.546 0.338489 -3.48267 63.546000 Cu 0.827827 0.451476 0.5 845 63.546 0.0227937 -3.48988 63.546000 Cu 0.887515 0.445017 1 847 63.546 0.0398459 -3.50596 63.546000 Cu 0.974884 0.452859 1.35043e-19 848 63.546 0.0510924 -3.44277 63.546000 Cu 0.948055 0.438103 0.5 849 63.546 0.00439895 -3.48734 63.546000 Cu 0.913824 0.459892 0.5 850 63.546 0.0308257 -3.47186 63.546000 Cu 0.943292 0.474188 6.75213e-20 879 63.546 0.465751 -3.34741 63.546000 Cu 0.159694 0.503653 0.5 2 63.546 8.82184 -2.83164 63.546000 Cu 0.00437367 0.5041 1.27713e-16 7 63.546 11.6809 -2.99443 63.546000 Cu 0.126847 0.516011 1 11 63.546 1.11421 -3.34624 63.546000 Cu 0.19227 0.523492 0.5 13 63.546 0.497196 -3.33971 63.546000 Cu 0.0295264 0.483605 1 880 63.546 1.17868 -3.2712 63.546000 Cu 0.0860472 0.477945 0.5 886 63.546 0.87675 -3.43333 63.546000 Cu 0.0667421 0.504904 0.5 905 63.546 8.78494 -3.77388 63.546000 Cu 0.115152 0.49255 1 906 63.546 2.97859 -3.47559 63.546000 Cu 0.174168 0.483308 0.5 908 63.546 3.89517 -3.01076 63.546000 Cu 0.219773 0.506211 1 907 63.546 3.17276 -3.56092 63.546000 Cu 0.278464 0.514159 0.5 3 63.546 1.40362 -3.24966 63.546000 Cu 0.334925 0.519672 1 44 63.546 0.987722 -3.43246 63.546000 Cu 0.364351 0.505043 0.5 45 63.546 7.03877 -3.49363 63.546000 Cu 0.233476 0.479242 1 909 63.546 1.0333 -3.38871 63.546000 Cu 0.317476 0.492541 7.12725e-19 910 63.546 8.1525 -3.75154 63.546000 Cu 0.255412 0.49359 0.5 912 63.546 11.5579 -2.9992 63.546000 Cu 0.377935 0.481611 0.5 916 63.546 0.992878 -3.34493 63.546000 Cu 0.566742 0.504904 0.5 9 63.546 8.78494 -3.77388 63.546000 Cu 0.504374 0.5041 1 18 63.546 11.6809 -2.99443 63.546000 Cu 0.586047 0.477945 0.5 21 63.546 0.87675 -3.43333 63.546000 Cu 0.529526 0.483605 1 43 63.546 1.17868 -3.2712 63.546000 Cu 0.423014 0.514431 1 46 63.546 4.2654 -2.99442 63.546000 Cu 0.482463 0.518404 0.5 48 63.546 1.12883 -3.39153 63.546000 Cu 0.470368 0.4913 0.5 436 63.546 2.91961 -3.54155 63.546000 Cu 0.410291 0.494045 1 449 63.546 8.65052 -2.84802 63.546000 Cu 0.674168 0.483308 0.5 1 63.546 3.89517 -3.01076 63.546000 Cu 0.626847 0.516011 3.60114e-19 19 63.546 1.11421 -3.34624 63.546000 Cu 0.659694 0.503653 0.5 20 63.546 8.82184 -2.83164 63.546000 Cu 0.615152 0.49255 1 22 63.546 2.97859 -3.47559 63.546000 Cu 0.778464 0.514159 0.5 24 63.546 1.40362 -3.24966 63.546000 Cu 0.69227 0.523492 0.5 25 63.546 0.497196 -3.33971 63.546000 Cu 0.733476 0.479242 1.29438e-16 841 63.546 1.0333 -3.38871 63.546000 Cu 0.719773 0.506211 1 874 63.546 3.17276 -3.56092 63.546000 Cu 0.755412 0.49359 0.5 875 63.546 11.5579 -2.9992 63.546000 Cu 0.923014 0.514431 1.81857e-17 5 63.546 4.2654 -2.99442 63.546000 Cu 0.864351 0.505043 0.5 6 63.546 7.03877 -3.49363 63.546000 Cu 0.982463 0.518404 0.5 10 63.546 1.12883 -3.39153 63.546000 Cu 0.834925 0.519672 1 26 63.546 0.987722 -3.43246 63.546000 Cu 0.817476 0.492541 9.20015e-17 876 63.546 8.1525 -3.75154 63.546000 Cu 0.910291 0.494045 1.10757e-16 877 63.546 8.65052 -2.84802 63.546000 Cu 0.877935 0.481611 0.5 878 63.546 0.992878 -3.34493 63.546000 Cu 0.970368 0.4913 0.5 882 63.546 2.91961 -3.54155 63.546000 Cu 0.0430443 0.524197 7.05148e-17 8 63.546 0.41368 -3.40614 63.546000 Cu 0.162646 0.537766 4.95156e-19 12 63.546 0.0319757 -3.47072 63.546000 Cu 0.101882 0.530326 0.5 14 63.546 0.353619 -3.48036 63.546000 Cu 0.0174325 0.540121 0.5 32 63.546 0.0209943 -3.45337 63.546000 Cu 0.0765995 0.546181 1 34 63.546 0.0240798 -3.48897 63.546000 Cu 0.110719 0.568049 1 35 63.546 0.00822617 -3.5 63.546000 Cu 0.136237 0.552659 0.5 36 63.546 0.04004 -3.50655 63.546000 Cu 0.0510345 0.56181 0.5 37 63.546 0.00416018 -3.48133 63.546000 Cu 0.196793 0.55957 1 38 63.546 0.00500131 -3.48737 63.546000 Cu 0.250112 0.529299 1 15 63.546 0.0760913 -3.42194 63.546000 Cu 0.283657 0.55113 4.7445e-17 16 63.546 0.00415925 -3.4789 63.546000 Cu 0.223643 0.544829 0.5 17 63.546 0.0528796 -3.44179 63.546000 Cu 0.257669 0.56628 0.5 40 63.546 0.00575666 -3.48159 63.546000 Cu 0.394968 0.527898 0.5 49 63.546 0.179729 -3.38538 63.546000 Cu 0.309473 0.535897 0.5 76 63.546 0.0454908 -3.45629 63.546000 Cu 0.369558 0.542341 1.17037e-18 77 63.546 0.0518975 -3.50504 63.546000 Cu 0.344016 0.557556 0.5 80 63.546 0.0028412 -3.49975 63.546000 Cu 0.458272 0.53465 1 47 63.546 0.26633 -3.39806 63.546000 Cu 0.543044 0.524197 1 50 63.546 0.41368 -3.40614 63.546000 Cu 0.5766 0.546181 1 51 63.546 0.0240798 -3.48897 63.546000 Cu 0.517432 0.540121 0.5 53 63.546 0.0209943 -3.45337 63.546000 Cu 0.404348 0.5641 1 78 63.546 0.00408671 -3.50241 63.546000 Cu 0.430723 0.549243 0.5 79 63.546 0.0175254 -3.48196 63.546000 Cu 0.491447 0.555784 1 81 63.546 0.0444865 -3.45728 63.546000 Cu 0.551034 0.56181 0.5 83 63.546 0.00416018 -3.48133 63.546000 Cu 0.464845 0.570762 0.5 84 63.546 0.00477626 -3.48453 63.546000 Cu 0.750112 0.529299 2.42627e-17 23 63.546 0.0760913 -3.42194 63.546000 Cu 0.601882 0.530326 0.5 52 63.546 0.353619 -3.48036 63.546000 Cu 0.662646 0.537766 1 54 63.546 0.0319757 -3.47072 63.546000 Cu 0.696793 0.55957 1 55 63.546 0.00500131 -3.48737 63.546000 Cu 0.723643 0.544829 0.5 56 63.546 0.0528796 -3.44179 63.546000 Cu 0.636237 0.552659 0.5 57 63.546 0.04004 -3.50655 63.546000 Cu 0.783657 0.55113 1 58 63.546 0.00415925 -3.4789 63.546000 Cu 0.757669 0.56628 0.5 61 63.546 0.00575666 -3.48159 63.546000 Cu 0.610719 0.568049 1 85 63.546 0.00822617 -3.5 63.546000 Cu 0.869558 0.542341 1.35043e-19 27 63.546 0.0518975 -3.50504 63.546000 Cu 0.894968 0.527898 0.5 28 63.546 0.179729 -3.38538 63.546000 Cu 0.809473 0.535897 0.5 29 63.546 0.0454908 -3.45629 63.546000 Cu 0.958272 0.53465 7.73644e-17 30 63.546 0.26633 -3.39806 63.546000 Cu 0.991447 0.555784 1 31 63.546 0.0444865 -3.45728 63.546000 Cu 0.930723 0.549243 0.5 33 63.546 0.0175254 -3.48196 63.546000 Cu 0.844016 0.557556 0.5 60 63.546 0.0028412 -3.49975 63.546000 Cu 0.904348 0.5641 1 62 63.546 0.00408671 -3.50241 63.546000 Cu 0.964845 0.570762 0.5 64 63.546 0.00477626 -3.48453 63.546000 Cu 0.170897 0.574566 0.5 41 63.546 0.00784944 -3.50371 63.546000 Cu 0.0252229 0.577197 4.72649e-19 66 63.546 0.00856503 -3.47936 63.546000 Cu 0.0595135 0.598714 5.77682e-19 67 63.546 0.00175623 -3.48826 63.546000 Cu 0.08525 0.583449 0.5 68 63.546 0.000978463 -3.49131 63.546000 Cu 0.145274 0.5898 1.81857e-17 70 63.546 0.00232435 -3.49934 63.546000 Cu 0.17992 0.611482 1.41495e-17 71 63.546 0.000761677 -3.49714 63.546000 Cu 0.11969 0.605074 0.5 73 63.546 0.000258599 -3.49283 63.546000 Cu 0.0336949 0.613843 0.5 99 63.546 0.00053446 -3.49149 63.546000 Cu 0.231435 0.581231 2.56356e-17 39 63.546 0.000836705 -3.49482 63.546000 Cu 0.292 0.587837 0.5 42 63.546 0.000788206 -3.49112 63.546000 Cu 0.205548 0.596303 0.5 72 63.546 0.00206515 -3.49984 63.546000 Cu 0.266057 0.602882 1 74 63.546 0.00022733 -3.49536 63.546000 Cu 0.240309 0.617975 0.5 75 63.546 0.000644604 -3.49727 63.546000 Cu 0.318057 0.572728 8.70275e-19 109 63.546 0.000431661 -3.49282 63.546000 Cu 0.352431 0.594342 1 110 63.546 0.000112451 -3.49458 63.546000 Cu 0.378347 0.579211 0.5 111 63.546 0.000527649 -3.49804 63.546000 Cu 0.326571 0.609439 0.5 143 63.546 0.000137088 -3.49306 63.546000 Cu 0.38703 0.61595 1 144 63.546 5.7736e-05 -3.49289 63.546000 Cu 0.525223 0.577197 1 82 63.546 0.00856503 -3.47936 63.546000 Cu 0.58525 0.583449 0.5 88 63.546 0.000978463 -3.49131 63.546000 Cu 0.438717 0.585749 1 112 63.546 0.000486152 -3.49648 63.546000 Cu 0.473242 0.607356 1 113 63.546 0.000129661 -3.49509 63.546000 Cu 0.499188 0.59229 0.5 114 63.546 0.00145924 -3.48991 63.546000 Cu 0.412831 0.600846 0.5 115 63.546 6.92044e-05 -3.49657 63.546000 Cu 0.559514 0.598714 1 116 63.546 0.00175623 -3.48826 63.546000 Cu 0.533695 0.613843 0.5 119 63.546 0.00053446 -3.49149 63.546000 Cu 0.645274 0.5898 1 86 63.546 0.00232435 -3.49934 63.546000 Cu 0.670897 0.574566 0.5 87 63.546 0.00784944 -3.50371 63.546000 Cu 0.731435 0.581231 1 89 63.546 0.000836705 -3.49482 63.546000 Cu 0.766057 0.602882 1 90 63.546 0.00022733 -3.49536 63.546000 Cu 0.792 0.587837 0.5 91 63.546 0.000788206 -3.49112 63.546000 Cu 0.705548 0.596303 0.5 92 63.546 0.00206515 -3.49984 63.546000 Cu 0.61969 0.605074 0.5 118 63.546 0.000258599 -3.49283 63.546000 Cu 0.67992 0.611482 1 120 63.546 0.000761677 -3.49714 63.546000 Cu 0.740309 0.617975 0.5 122 63.546 0.000644604 -3.49727 63.546000 Cu 0.818057 0.572728 1 59 63.546 0.000431661 -3.49282 63.546000 Cu 0.938717 0.585749 5.02659e-18 63 63.546 0.000486152 -3.49648 63.546000 Cu 0.878347 0.579211 0.5 65 63.546 0.000527649 -3.49804 63.546000 Cu 0.999188 0.59229 0.5 69 63.546 0.00145924 -3.48991 63.546000 Cu 0.852431 0.594342 1 93 63.546 0.000112451 -3.49458 63.546000 Cu 0.88703 0.61595 1 94 63.546 5.7736e-05 -3.49289 63.546000 Cu 0.912831 0.600846 0.5 95 63.546 6.92044e-05 -3.49657 63.546000 Cu 0.826571 0.609439 0.5 96 63.546 0.000137088 -3.49306 63.546000 Cu 0.973242 0.607356 8.70275e-19 97 63.546 0.000129661 -3.49509 63.546000 Cu 0.00794522 0.628937 1 98 63.546 6.9303e-05 -3.49286 63.546000 Cu 0.0940568 0.620273 1 101 63.546 0.000387958 -3.49089 63.546000 Cu 0.128764 0.641856 3.00095e-19 102 63.546 0.000136646 -3.49246 63.546000 Cu 0.154363 0.626685 0.5 103 63.546 6.52264e-05 -3.49411 63.546000 Cu 0.0683601 0.635407 0.5 104 63.546 0.000157131 -3.49153 63.546000 Cu 0.189119 0.648295 0.5 108 63.546 5.56723e-05 -3.49336 63.546000 Cu 0.0426706 0.650514 1 132 63.546 4.61399e-05 -3.49338 63.546000 Cu 0.103063 0.656988 0.5 134 63.546 7.61303e-05 -3.49315 63.546000 Cu 0.0169017 0.665636 0.5 135 63.546 1.68827e-05 -3.49458 63.546000 Cu 0.163414 0.663445 1.81857e-17 136 63.546 3.67973e-05 -3.4934 63.546000 Cu 0.214711 0.63313 1 105 63.546 0.000237969 -3.49581 63.546000 Cu 0.249483 0.654758 1.30039e-16 106 63.546 0.000126303 -3.49477 63.546000 Cu 0.275137 0.639622 0.5 107 63.546 0.000184148 -3.49593 63.546000 Cu 0.300796 0.624516 1 142 63.546 9.64974e-05 -3.49514 63.546000 Cu 0.361319 0.631042 0.5 147 63.546 2.90214e-05 -3.49376 63.546000 Cu 0.335615 0.646143 1.76156e-17 176 63.546 2.27678e-05 -3.49532 63.546000 Cu 0.396084 0.652656 0.5 178 63.546 4.41227e-05 -3.49507 63.546000 Cu 0.309882 0.661252 0.5 179 63.546 8.76874e-05 -3.49514 63.546000 Cu 0.594057 0.620273 1 117 63.546 0.000387958 -3.49089 63.546000 Cu 0.42179 0.637543 1 145 63.546 1.52198e-05 -3.49416 63.546000 Cu 0.447459 0.622444 0.5 146 63.546 5.60244e-05 -3.49367 63.546000 Cu 0.507945 0.628937 1 148 63.546 6.9303e-05 -3.49286 63.546000 Cu 0.542671 0.650514 1 149 63.546 4.61399e-05 -3.49338 63.546000 Cu 0.56836 0.635407 0.5 150 63.546 0.000157131 -3.49153 63.546000 Cu 0.482247 0.644032 0.5 151 63.546 3.84382e-05 -3.49419 63.546000 Cu 0.456516 0.659151 1 180 63.546 4.44158e-05 -3.49501 63.546000 Cu 0.516902 0.665636 0.5 182 63.546 1.68827e-05 -3.49458 63.546000 Cu 0.714711 0.63313 1 121 63.546 0.000237969 -3.49581 63.546000 Cu 0.654363 0.626685 0.5 123 63.546 6.52264e-05 -3.49411 63.546000 Cu 0.775137 0.639622 0.5 127 63.546 0.000184148 -3.49593 63.546000 Cu 0.628764 0.641856 1 152 63.546 0.000136646 -3.49246 63.546000 Cu 0.663414 0.663445 5.57426e-18 153 63.546 3.67973e-05 -3.4934 63.546000 Cu 0.689119 0.648295 0.5 154 63.546 5.56723e-05 -3.49336 63.546000 Cu 0.603063 0.656988 0.5 155 63.546 7.61303e-05 -3.49315 63.546000 Cu 0.749483 0.654758 6.07692e-19 156 63.546 0.000126303 -3.49477 63.546000 Cu 0.947459 0.622444 0.5 100 63.546 5.60244e-05 -3.49367 63.546000 Cu 0.800796 0.624516 1 124 63.546 9.64974e-05 -3.49514 63.546000 Cu 0.835615 0.646143 1 125 63.546 2.27678e-05 -3.49532 63.546000 Cu 0.861319 0.631042 0.5 126 63.546 2.90214e-05 -3.49376 63.546000 Cu 0.92179 0.637543 2.47578e-19 128 63.546 1.52198e-05 -3.49416 63.546000 Cu 0.956516 0.659151 7.35157e-17 129 63.546 4.44158e-05 -3.49501 63.546000 Cu 0.982247 0.644032 0.5 130 63.546 3.84382e-05 -3.49419 63.546000 Cu 0.896084 0.652656 0.5 131 63.546 4.41227e-05 -3.49507 63.546000 Cu 0.809882 0.661252 0.5 158 63.546 8.76874e-05 -3.49514 63.546000 Cu 0.0772659 0.672116 1.50047e-20 133 63.546 1.52703e-05 -3.49441 63.546000 Cu 0.19797 0.685062 1 137 63.546 5.42823e-06 -3.49499 63.546000 Cu 0.137622 0.67859 0.5 139 63.546 1.91844e-05 -3.49458 63.546000 Cu 0.0256405 0.702374 1 165 63.546 5.22122e-06 -3.49452 63.546000 Cu 0.0514558 0.687245 0.5 166 63.546 9.8182e-06 -3.49424 63.546000 Cu 0.111825 0.693732 1.81857e-17 168 63.546 1.5703e-05 -3.49475 63.546000 Cu 0.172194 0.700216 0.5 170 63.546 1.17383e-05 -3.49499 63.546000 Cu 0.0860307 0.70887 0.5 171 63.546 9.31555e-06 -3.49504 63.546000 Cu 0.22375 0.669906 0.5 138 63.546 3.50305e-05 -3.49478 63.546000 Cu 0.284103 0.676386 1.81857e-17 140 63.546 5.26949e-05 -3.49557 63.546000 Cu 0.258317 0.691538 0.5 141 63.546 1.27358e-05 -3.49523 63.546000 Cu 0.232553 0.706696 3.39032e-17 172 63.546 1.98068e-06 -3.49516 63.546000 Cu 0.292907 0.713178 0.5 174 63.546 5.48973e-06 -3.49528 63.546000 Cu 0.3703 0.667762 4.87654e-19 177 63.546 2.22776e-05 -3.49473 63.546000 Cu 0.318676 0.698023 4.4459e-17 209 63.546 2.33755e-05 -3.49505 63.546000 Cu 0.344475 0.682882 0.5 210 63.546 3.56123e-05 -3.49525 63.546000 Cu 0.379043 0.704514 0.5 214 63.546 2.45828e-05 -3.49479 63.546000 Cu 0.491088 0.680757 1 181 63.546 8.36047e-06 -3.49377 63.546000 Cu 0.43071 0.674266 0.5 183 63.546 1.69526e-05 -3.49407 63.546000 Cu 0.577266 0.672116 1 184 63.546 1.52703e-05 -3.49441 63.546000 Cu 0.551456 0.687245 0.5 187 63.546 9.8182e-06 -3.49424 63.546000 Cu 0.404863 0.689382 1 211 63.546 1.27468e-05 -3.49448 63.546000 Cu 0.439425 0.711008 5.7018e-19 212 63.546 1.74211e-05 -3.4947 63.546000 Cu 0.465252 0.695879 0.5 213 63.546 4.09102e-06 -3.49411 63.546000 Cu 0.525641 0.702374 1 215 63.546 5.22122e-06 -3.49452 63.546000 Cu 0.586031 0.70887 0.5 217 63.546 9.31555e-06 -3.49504 63.546000 Cu 0.784103 0.676386 3.90123e-19 157 63.546 5.26949e-05 -3.49557 63.546000 Cu 0.72375 0.669906 0.5 159 63.546 3.50305e-05 -3.49478 63.546000 Cu 0.611825 0.693732 1 185 63.546 1.5703e-05 -3.49475 63.546000 Cu 0.637622 0.67859 0.5 186 63.546 1.91844e-05 -3.49458 63.546000 Cu 0.69797 0.685062 3.75118e-19 188 63.546 5.42823e-06 -3.49499 63.546000 Cu 0.732553 0.706696 1 189 63.546 1.98068e-06 -3.49516 63.546000 Cu 0.758317 0.691538 0.5 190 63.546 1.27358e-05 -3.49523 63.546000 Cu 0.672194 0.700216 0.5 191 63.546 1.17383e-05 -3.49499 63.546000 Cu 0.792907 0.713178 0.5 195 63.546 5.48973e-06 -3.49528 63.546000 Cu 0.8703 0.667762 2.28072e-17 160 63.546 2.22776e-05 -3.49473 63.546000 Cu 0.904863 0.689382 2.31073e-18 161 63.546 1.27468e-05 -3.49448 63.546000 Cu 0.93071 0.674266 0.5 162 63.546 1.69526e-05 -3.49407 63.546000 Cu 0.844475 0.682882 0.5 163 63.546 3.56123e-05 -3.49525 63.546000 Cu 0.991088 0.680757 3.36556e-17 164 63.546 8.36047e-06 -3.49377 63.546000 Cu 0.965252 0.695879 0.5 167 63.546 4.09102e-06 -3.49411 63.546000 Cu 0.818676 0.698023 1 192 63.546 2.33755e-05 -3.49505 63.546000 Cu 0.879043 0.704514 0.5 194 63.546 2.45828e-05 -3.49479 63.546000 Cu 0.939425 0.711008 1 196 63.546 1.74211e-05 -3.4947 63.546000 Cu 0.146416 0.715366 1.81857e-17 169 63.546 1.74913e-05 -3.49517 63.546000 Cu 0.0602162 0.724006 1 200 63.546 3.40601e-07 -3.49517 63.546000 Cu 0.0947884 0.74564 1 201 63.546 1.4275e-06 -3.49464 63.546000 Cu 0.120614 0.730507 0.5 202 63.546 8.26372e-06 -3.49488 63.546000 Cu 0.0343942 0.739142 0.5 203 63.546 7.86021e-06 -3.49507 63.546000 Cu 0.181001 0.737004 5.84735e-17 204 63.546 1.90922e-05 -3.49446 63.546000 Cu 0.155182 0.752138 0.5 207 63.546 3.18655e-06 -3.49424 63.546000 Cu 0.00858882 0.754284 1 231 63.546 1.24346e-05 -3.4945 63.546000 Cu 0.0689687 0.760775 0.5 233 63.546 1.09915e-05 -3.49425 63.546000 Cu 0.267146 0.728342 4.80152e-19 173 63.546 7.5481e-06 -3.49504 63.546000 Cu 0.206789 0.721856 0.5 175 63.546 1.71867e-05 -3.49507 63.546000 Cu 0.215563 0.758632 1 205 63.546 6.30058e-06 -3.49411 63.546000 Cu 0.241373 0.743494 0.5 206 63.546 1.90431e-05 -3.49415 63.546000 Cu 0.353261 0.719664 1 242 63.546 1.44277e-05 -3.4954 63.546000 Cu 0.387851 0.741311 1 243 63.546 3.27782e-06 -3.49483 63.546000 Cu 0.327498 0.734827 0.5 245 63.546 3.61893e-06 -3.49501 63.546000 Cu 0.301735 0.749981 1 275 63.546 1.01482e-05 -3.4941 63.546000 Cu 0.362093 0.756466 0.5 277 63.546 2.76053e-06 -3.49433 63.546000 Cu 0.560216 0.724006 1 216 63.546 3.40601e-07 -3.49517 63.546000 Cu 0.499813 0.717505 0.5 218 63.546 8.01527e-06 -3.49498 63.546000 Cu 0.413627 0.726153 0.5 244 63.546 1.55152e-05 -3.49539 63.546000 Cu 0.474003 0.732646 1 246 63.546 1.57717e-05 -3.4953 63.546000 Cu 0.508589 0.754284 1 247 63.546 1.24346e-05 -3.4945 63.546000 Cu 0.534394 0.739142 0.5 248 63.546 7.86021e-06 -3.49507 63.546000 Cu 0.448215 0.747797 0.5 249 63.546 7.10849e-06 -3.49469 63.546000 Cu 0.594788 0.74564 1 250 63.546 1.4275e-06 -3.49464 63.546000 Cu 0.568969 0.760775 0.5 253 63.546 1.09915e-05 -3.49425 63.546000 Cu 0.646416 0.715366 1 219 63.546 1.74913e-05 -3.49517 63.546000 Cu 0.681001 0.737004 1 220 63.546 1.90922e-05 -3.49446 63.546000 Cu 0.706789 0.721856 0.5 221 63.546 1.71867e-05 -3.49507 63.546000 Cu 0.620614 0.730507 0.5 222 63.546 8.26372e-06 -3.49488 63.546000 Cu 0.767146 0.728342 1 223 63.546 7.5481e-06 -3.49504 63.546000 Cu 0.741373 0.743494 0.5 226 63.546 1.90431e-05 -3.49415 63.546000 Cu 0.655182 0.752138 0.5 252 63.546 3.18655e-06 -3.49424 63.546000 Cu 0.715563 0.758632 1 254 63.546 6.30058e-06 -3.49411 63.546000 Cu 0.853261 0.719664 1 193 63.546 1.44277e-05 -3.4954 63.546000 Cu 0.974003 0.732646 1 197 63.546 1.57717e-05 -3.4953 63.546000 Cu 0.999813 0.717505 0.5 198 63.546 8.01527e-06 -3.49498 63.546000 Cu 0.913627 0.726153 0.5 199 63.546 1.55152e-05 -3.49539 63.546000 Cu 0.801735 0.749981 1 224 63.546 1.01482e-05 -3.4941 63.546000 Cu 0.827498 0.734827 0.5 225 63.546 3.61893e-06 -3.49501 63.546000 Cu 0.887851 0.741311 1.50047e-19 227 63.546 3.27782e-06 -3.49483 63.546000 Cu 0.948215 0.747797 0.5 229 63.546 7.10849e-06 -3.49469 63.546000 Cu 0.862093 0.756466 0.5 230 63.546 2.76053e-06 -3.49433 63.546000 Cu 0.0431776 0.775915 1 232 63.546 1.75275e-05 -3.49432 63.546000 Cu 0.12935 0.767268 1.81857e-17 235 63.546 4.61638e-06 -3.49412 63.546000 Cu 0.163915 0.788893 8.29012e-18 236 63.546 7.83996e-06 -3.49426 63.546000 Cu 0.189734 0.773763 0.5 237 63.546 6.66799e-07 -3.49423 63.546000 Cu 0.103542 0.782402 0.5 238 63.546 1.48814e-05 -3.49413 63.546000 Cu 0.0174024 0.791069 0.5 264 63.546 5.88341e-06 -3.49471 63.546000 Cu 0.0777524 0.797544 5.99064e-17 266 63.546 1.78804e-05 -3.49433 63.546000 Cu 0.138115 0.804026 0.5 268 63.546 1.68566e-05 -3.49462 63.546000 Cu 0.275941 0.765125 0.5 208 63.546 1.10642e-05 -3.49441 63.546000 Cu 0.250123 0.78026 1.81857e-17 239 63.546 3.51324e-06 -3.49467 63.546000 Cu 0.284704 0.801893 1 240 63.546 2.77878e-06 -3.4952 63.546000 Cu 0.224301 0.79539 0.5 241 63.546 3.3033e-06 -3.4947 63.546000 Cu 0.336314 0.771617 1.81857e-17 276 63.546 1.18009e-05 -3.49515 63.546000 Cu 0.39669 0.778108 0.5 281 63.546 1.02693e-05 -3.4957 63.546000 Cu 0.310516 0.78676 0.5 308 63.546 1.14322e-05 -3.49542 63.546000 Cu 0.370911 0.793261 1 309 63.546 2.94971e-05 -3.49569 63.546000 Cu 0.34511 0.808398 0.5 312 63.546 1.87046e-05 -3.49528 63.546000 Cu 0.422454 0.762949 1.81857e-17 278 63.546 1.17744e-06 -3.49469 63.546000 Cu 0.457053 0.784592 1 279 63.546 4.26009e-06 -3.49539 63.546000 Cu 0.482817 0.769432 0.5 280 63.546 7.74739e-06 -3.49463 63.546000 Cu 0.543178 0.775915 2.47578e-19 282 63.546 1.75275e-05 -3.49432 63.546000 Cu 0.577752 0.797544 1.2754e-19 283 63.546 1.78804e-05 -3.49433 63.546000 Cu 0.517402 0.791069 0.5 285 63.546 5.88341e-06 -3.49471 63.546000 Cu 0.431282 0.799751 0.5 311 63.546 2.90915e-05 -3.49508 63.546000 Cu 0.49163 0.806227 1 313 63.546 8.4971e-06 -3.49439 63.546000 Cu 0.62935 0.767268 1 251 63.546 4.61638e-06 -3.49412 63.546000 Cu 0.750123 0.78026 1 255 63.546 3.51324e-06 -3.49467 63.546000 Cu 0.775941 0.765125 0.5 256 63.546 1.10642e-05 -3.49441 63.546000 Cu 0.689734 0.773763 0.5 257 63.546 6.66799e-07 -3.49423 63.546000 Cu 0.603542 0.782402 0.5 284 63.546 1.48814e-05 -3.49413 63.546000 Cu 0.663915 0.788893 1 286 63.546 7.83996e-06 -3.49426 63.546000 Cu 0.724301 0.79539 0.5 288 63.546 3.3033e-06 -3.4947 63.546000 Cu 0.638115 0.804026 0.5 289 63.546 1.68566e-05 -3.49462 63.546000 Cu 0.784704 0.801893 1 290 63.546 2.77878e-06 -3.4952 63.546000 Cu 0.922454 0.762949 1 228 63.546 1.17744e-06 -3.49469 63.546000 Cu 0.982817 0.769432 0.5 234 63.546 7.74739e-06 -3.49463 63.546000 Cu 0.836314 0.771617 1 258 63.546 1.18009e-05 -3.49515 63.546000 Cu 0.870911 0.793261 1.81857e-17 259 63.546 2.94971e-05 -3.49569 63.546000 Cu 0.89669 0.778108 0.5 260 63.546 1.02693e-05 -3.4957 63.546000 Cu 0.810516 0.78676 0.5 261 63.546 1.14322e-05 -3.49542 63.546000 Cu 0.957053 0.784592 1 262 63.546 4.26009e-06 -3.49539 63.546000 Cu 0.99163 0.806227 1 263 63.546 8.4971e-06 -3.49439 63.546000 Cu 0.931282 0.799751 0.5 265 63.546 2.90915e-05 -3.49508 63.546000 Cu 0.84511 0.808398 0.5 292 63.546 1.87046e-05 -3.49528 63.546000 Cu 0.11231 0.819166 1 267 63.546 2.85815e-05 -3.49475 63.546000 Cu 0.0519616 0.812694 0.5 269 63.546 9.10152e-06 -3.49439 63.546000 Cu 0.198495 0.81052 1 270 63.546 6.29119e-06 -3.49494 63.546000 Cu 0.172683 0.825648 0.5 273 63.546 2.08525e-05 -3.49491 63.546000 Cu 0.026187 0.82785 1 298 63.546 1.02867e-05 -3.49478 63.546000 Cu 0.0608101 0.849469 1.05033e-19 299 63.546 2.51337e-05 -3.49369 63.546000 Cu 0.0865232 0.834312 0.5 300 63.546 3.88352e-05 -3.49402 63.546000 Cu 0.146879 0.840775 1 302 63.546 8.3573e-05 -3.49342 63.546000 Cu 0.121146 0.855912 0.5 305 63.546 0.000116114 -3.49204 63.546000 Cu 0.000458489 0.84301 0.5 301 63.546 8.59541e-05 -3.495 63.546000 Cu 0.233074 0.83214 1 271 63.546 1.068e-05 -3.49482 63.546000 Cu 0.258884 0.817017 0.5 272 63.546 5.27619e-06 -3.49497 63.546000 Cu 0.293472 0.838634 0.5 274 63.546 1.57885e-05 -3.4946 63.546000 Cu 0.207277 0.847254 0.5 304 63.546 4.14625e-05 -3.49331 63.546000 Cu 0.267705 0.853746 1 306 63.546 1.68271e-05 -3.49416 63.546000 Cu 0.31929 0.823522 1 341 63.546 7.00915e-06 -3.49453 63.546000 Cu 0.353893 0.845135 1 342 63.546 1.50223e-05 -3.49434 63.546000 Cu 0.379684 0.830025 0.5 343 63.546 3.13336e-05 -3.49432 63.546000 Cu 0.405501 0.814897 1 310 63.546 4.97096e-05 -3.4948 63.546000 Cu 0.526187 0.82785 1 314 63.546 1.02867e-05 -3.49478 63.546000 Cu 0.551962 0.812694 0.5 315 63.546 9.10152e-06 -3.49439 63.546000 Cu 0.46585 0.82138 0.5 316 63.546 3.08087e-05 -3.49474 63.546000 Cu 0.586523 0.834312 0.5 320 63.546 3.88352e-05 -3.49402 63.546000 Cu 0.440077 0.836525 1 344 63.546 8.9234e-05 -3.49487 63.546000 Cu 0.500458 0.84301 0.5 346 63.546 8.59541e-05 -3.495 63.546000 Cu 0.414346 0.851645 0.5 347 63.546 2.82429e-05 -3.49489 63.546000 Cu 0.56081 0.849469 1 348 63.546 2.51337e-05 -3.49369 63.546000 Cu 0.698495 0.81052 3.58313e-17 287 63.546 6.29119e-06 -3.49494 63.546000 Cu 0.758884 0.817017 0.5 293 63.546 5.27619e-06 -3.49497 63.546000 Cu 0.61231 0.819166 1.29716e-17 317 63.546 2.85815e-05 -3.49475 63.546000 Cu 0.646879 0.840775 1 318 63.546 8.3573e-05 -3.49342 63.546000 Cu 0.672683 0.825648 0.5 319 63.546 2.08525e-05 -3.49491 63.546000 Cu 0.733074 0.83214 4.69048e-17 321 63.546 1.068e-05 -3.49482 63.546000 Cu 0.767705 0.853746 1.02182e-16 322 63.546 1.68271e-05 -3.49416 63.546000 Cu 0.793472 0.838634 0.5 323 63.546 1.57885e-05 -3.4946 63.546000 Cu 0.707277 0.847254 0.5 324 63.546 4.14625e-05 -3.49331 63.546000 Cu 0.621146 0.855912 0.5 350 63.546 0.000116114 -3.49204 63.546000 Cu 0.81929 0.823522 2.11154e-16 291 63.546 7.00915e-06 -3.49453 63.546000 Cu 0.905501 0.814897 8.09505e-17 294 63.546 4.97096e-05 -3.4948 63.546000 Cu 0.940077 0.836525 4.4339e-17 295 63.546 8.9234e-05 -3.49487 63.546000 Cu 0.96585 0.82138 0.5 296 63.546 3.08087e-05 -3.49474 63.546000 Cu 0.879684 0.830025 0.5 297 63.546 3.13336e-05 -3.49432 63.546000 Cu 0.853893 0.845135 1.20841e-16 325 63.546 1.50223e-05 -3.49434 63.546000 Cu 0.914346 0.851645 0.5 327 63.546 2.82429e-05 -3.49489 63.546000 Cu 0.181521 0.86236 1 303 63.546 0.000200338 -3.49169 63.546000 Cu 0.0094771 0.879804 1.17847e-16 330 63.546 0.000529569 -3.49714 63.546000 Cu 0.0351689 0.864643 0.5 331 63.546 0.00021428 -3.4954 63.546000 Cu 0.0954612 0.87108 1.5755e-19 333 63.546 7.46616e-05 -3.49348 63.546000 Cu 0.13 0.892699 3.75118e-19 334 63.546 0.000269075 -3.49316 63.546000 Cu 0.155756 0.877492 0.5 335 63.546 0.000488422 -3.49131 63.546000 Cu 0.0698232 0.886289 0.5 336 63.546 0.000587409 -3.49735 63.546000 Cu 0.190173 0.899055 0.5 340 63.546 0.00211347 -3.48825 63.546000 Cu 0.0441294 0.901491 2.77363e-17 364 63.546 0.0020376 -3.49994 63.546000 Cu 0.241947 0.868837 0.5 307 63.546 0.000108698 -3.49377 63.546000 Cu 0.21608 0.883933 1.81857e-17 337 63.546 0.000559912 -3.49207 63.546000 Cu 0.276493 0.890436 0.5 339 63.546 6.44796e-05 -3.49474 63.546000 Cu 0.302388 0.875347 1.81857e-17 374 63.546 5.96357e-05 -3.4947 63.546000 Cu 0.328161 0.860247 0.5 375 63.546 1.55303e-05 -3.49419 63.546000 Cu 0.388585 0.866751 3.30104e-19 376 63.546 2.78895e-05 -3.49424 63.546000 Cu 0.362766 0.881858 0.5 379 63.546 1.07958e-05 -3.49359 63.546000 Cu 0.336925 0.896958 8.04404e-17 408 63.546 9.34435e-05 -3.49574 63.546000 Cu 0.397317 0.90347 0.5 410 63.546 7.15077e-05 -3.49448 63.546000 Cu 0.474787 0.858154 1 345 63.546 0.000152136 -3.49605 63.546000 Cu 0.595461 0.87108 3.00095e-19 349 63.546 7.46616e-05 -3.49348 63.546000 Cu 0.535169 0.864643 0.5 351 63.546 0.00021428 -3.4954 63.546000 Cu 0.4232 0.888362 7.50237e-20 377 63.546 0.0001127 -3.49336 63.546000 Cu 0.44905 0.873281 0.5 378 63.546 0.000135695 -3.49553 63.546000 Cu 0.509477 0.879804 2.8509e-19 380 63.546 0.000529569 -3.49714 63.546000 Cu 0.544129 0.901491 1 381 63.546 0.0020376 -3.49994 63.546000 Cu 0.569823 0.886289 0.5 382 63.546 0.000587409 -3.49735 63.546000 Cu 0.483702 0.894916 0.5 383 63.546 0.000292761 -3.49559 63.546000 Cu 0.681521 0.86236 4.89379e-17 352 63.546 0.000200338 -3.49169 63.546000 Cu 0.71608 0.883933 7.22928e-17 353 63.546 0.000559912 -3.49207 63.546000 Cu 0.741947 0.868837 0.5 354 63.546 0.000108698 -3.49377 63.546000 Cu 0.655756 0.877492 0.5 355 63.546 0.000488422 -3.49131 63.546000 Cu 0.776493 0.890436 0.5 359 63.546 6.44796e-05 -3.49474 63.546000 Cu 0.63 0.892699 1.81857e-17 384 63.546 0.000269075 -3.49316 63.546000 Cu 0.690173 0.899055 0.5 386 63.546 0.00211347 -3.48825 63.546000 Cu 0.888585 0.866751 9.95864e-17 326 63.546 2.78895e-05 -3.49424 63.546000 Cu 0.828161 0.860247 0.5 328 63.546 1.55303e-05 -3.49419 63.546000 Cu 0.974787 0.858154 1.30984e-16 329 63.546 0.000152136 -3.49605 63.546000 Cu 0.94905 0.873281 0.5 332 63.546 0.000135695 -3.49553 63.546000 Cu 0.802388 0.875347 1.07967e-16 356 63.546 5.96357e-05 -3.4947 63.546000 Cu 0.836925 0.896958 2.50729e-17 357 63.546 9.34435e-05 -3.49574 63.546000 Cu 0.862766 0.881858 0.5 358 63.546 1.07958e-05 -3.49359 63.546000 Cu 0.9232 0.888362 1.81857e-17 360 63.546 0.0001127 -3.49336 63.546000 Cu 0.983702 0.894916 0.5 362 63.546 0.000292761 -3.49559 63.546000 Cu 0.897317 0.90347 0.5 363 63.546 7.15077e-05 -3.49448 63.546000 Cu 0.078765 0.923233 1 365 63.546 0.00840795 -3.50372 63.546000 Cu 0.104386 0.907976 0.5 366 63.546 0.00194858 -3.49949 63.546000 Cu 0.0182453 0.916575 0.5 367 63.546 0.000905037 -3.49489 63.546000 Cu 0.164427 0.914321 1 368 63.546 0.00105082 -3.49101 63.546000 Cu 0.19855 0.935963 1 369 63.546 0.00426723 -3.48152 63.546000 Cu 0.138887 0.929722 0.5 371 63.546 0.00722162 -3.49941 63.546000 Cu 0.0528461 0.938235 0.5 398 63.546 0.00489426 -3.48776 63.546000 Cu 0.113366 0.945139 5.27792e-17 400 63.546 0.0407286 -3.50642 63.546000 Cu 0.172985 0.951592 0.5 402 63.546 0.0223606 -3.48845 63.546000 Cu 0.250559 0.905491 1 338 63.546 0.00157461 -3.48907 63.546000 Cu 0.224414 0.920572 0.5 370 63.546 0.00947464 -3.47967 63.546000 Cu 0.284795 0.927027 2.25071e-20 372 63.546 0.00480163 -3.4857 63.546000 Cu 0.258138 0.942003 0.5 373 63.546 0.0449282 -3.4587 63.546000 Cu 0.371351 0.918599 1 409 63.546 0.000619885 -3.49834 63.546000 Cu 0.310992 0.912044 0.5 411 63.546 0.000510115 -3.49591 63.546000 Cu 0.318917 0.948554 1 438 63.546 0.0173189 -3.48274 63.546000 Cu 0.345309 0.933708 0.5 439 63.546 0.0043835 -3.50327 63.546000 Cu 0.457704 0.909976 4.50142e-20 412 63.546 0.000637251 -3.49109 63.546000 Cu 0.491987 0.931538 1 413 63.546 0.00546866 -3.48131 63.546000 Cu 0.518245 0.916575 0.5 414 63.546 0.000905037 -3.49489 63.546000 Cu 0.431632 0.925092 0.5 415 63.546 0.000340011 -3.49242 63.546000 Cu 0.578765 0.923233 3.60414e-17 416 63.546 0.00840795 -3.50372 63.546000 Cu 0.552846 0.938235 0.5 419 63.546 0.00489426 -3.48776 63.546000 Cu 0.405684 0.94026 1 440 63.546 0.00299346 -3.49949 63.546000 Cu 0.466014 0.946696 0.5 442 63.546 0.00382887 -3.47805 63.546000 Cu 0.664427 0.914321 1.81857e-17 385 63.546 0.00105082 -3.49101 63.546000 Cu 0.604386 0.907976 0.5 387 63.546 0.00194858 -3.49949 63.546000 Cu 0.750559 0.905491 1 388 63.546 0.00157461 -3.48907 63.546000 Cu 0.784795 0.927027 1.81857e-17 389 63.546 0.00480163 -3.4857 63.546000 Cu 0.724414 0.920572 0.5 391 63.546 0.00947464 -3.47967 63.546000 Cu 0.613366 0.945139 1 417 63.546 0.0407286 -3.50642 63.546000 Cu 0.638887 0.929722 0.5 418 63.546 0.00722162 -3.49941 63.546000 Cu 0.69855 0.935963 1.61301e-17 420 63.546 0.00426723 -3.48152 63.546000 Cu 0.758138 0.942003 0.5 422 63.546 0.0449282 -3.4587 63.546000 Cu 0.672985 0.951592 0.5 423 63.546 0.0223606 -3.48845 63.546000 Cu 0.957704 0.909976 1 361 63.546 0.000637251 -3.49109 63.546000 Cu 0.810992 0.912044 0.5 390 63.546 0.000510115 -3.49591 63.546000 Cu 0.871351 0.918599 1.81857e-17 392 63.546 0.000619885 -3.49834 63.546000 Cu 0.905684 0.94026 1 393 63.546 0.00299346 -3.49949 63.546000 Cu 0.931632 0.925092 0.5 394 63.546 0.000340011 -3.49242 63.546000 Cu 0.845309 0.933708 0.5 395 63.546 0.0043835 -3.50327 63.546000 Cu 0.991987 0.931538 1 396 63.546 0.00546866 -3.48131 63.546000 Cu 0.966014 0.946696 0.5 399 63.546 0.00382887 -3.47805 63.546000 Cu 0.818917 0.948554 1 424 63.546 0.0173189 -3.48274 63.546000 Cu 0.182934 0.992858 1 483 63.546 8.68774 -3.76889 63.546000 Cu 0.0259575 0.952998 1.81857e-17 397 63.546 0.0505023 -3.44246 63.546000 Cu 0.147762 0.967469 1 401 63.546 0.352094 -3.48033 63.546000 Cu 0.0869958 0.960036 0.5 403 63.546 0.0314701 -3.47121 63.546000 Cu 0.0574736 0.974328 2.32573e-19 432 63.546 0.48526 -3.34049 63.546000 Cu 0.0900238 0.994166 1 433 63.546 8.79838 -2.83467 63.546000 Cu 0.122829 0.981799 0.5 434 63.546 1.09683 -3.3469 63.546000 Cu 0.029916 0.991585 0.5 435 63.546 3.1188 -3.55771 63.546000 Cu 0.232179 0.957657 1 404 63.546 0.0213956 -3.45374 63.546000 Cu 0.267172 0.979371 1 405 63.546 1.11356 -3.3915 63.546000 Cu 0.291377 0.963146 0.5 406 63.546 0.261842 -3.3997 63.546000 Cu 0.206572 0.973571 0.5 407 63.546 0.409377 -3.4051 63.546000 Cu 0.245187 0.993678 0.5 437 63.546 11.6783 -2.9951 63.546000 Cu 0.380109 0.955467 0.5 443 63.546 0.0515293 -3.50448 63.546000 Cu 0.354681 0.969909 1.19888e-17 458 63.546 0.177189 -3.38589 63.546000 Cu 0.385369 0.992761 6.30199e-19 459 63.546 7.01552 -3.49012 63.546000 Cu 0.326621 0.983387 0.5 461 63.546 4.17878 -2.99883 63.546000 Cu 0.440174 0.961932 1 441 63.546 0.0444637 -3.4558 63.546000 Cu 0.525957 0.952998 5.17663e-19 444 63.546 0.0505023 -3.44246 63.546000 Cu 0.557474 0.974328 5.62678e-19 445 63.546 0.48526 -3.34049 63.546000 Cu 0.586996 0.960036 0.5 446 63.546 0.0314701 -3.47121 63.546000 Cu 0.499556 0.968534 0.5 447 63.546 0.0739497 -3.42313 63.546000 Cu 0.414722 0.978136 0.5 460 63.546 0.967518 -3.43174 63.546000 Cu 0.471182 0.983679 5.81208e-17 462 63.546 1.36694 -3.25282 63.546000 Cu 0.529916 0.991585 0.5 463 63.546 3.1188 -3.55771 63.546000 Cu 0.590024 0.994166 1 465 63.546 8.79838 -2.83467 63.546000 Cu 0.682934 0.992858 6.45204e-19 467 63.546 8.68774 -3.76889 63.546000 Cu 0.732179 0.957657 1 421 63.546 0.0213956 -3.45374 63.546000 Cu 0.791377 0.963146 0.5 427 63.546 0.261842 -3.3997 63.546000 Cu 0.647762 0.967469 1 448 63.546 0.352094 -3.48033 63.546000 Cu 0.706572 0.973571 0.5 450 63.546 0.409377 -3.4051 63.546000 Cu 0.622829 0.981799 0.5 451 63.546 1.09683 -3.3469 63.546000 Cu 0.767172 0.979371 1 452 63.546 1.11356 -3.3915 63.546000 Cu 0.745187 0.993678 0.5 455 63.546 11.6783 -2.9951 63.546000 Cu 0.854681 0.969909 1 425 63.546 0.177189 -3.38589 63.546000 Cu 0.880109 0.955467 0.5 426 63.546 0.0515293 -3.50448 63.546000 Cu 0.940174 0.961932 1 428 63.546 0.0444637 -3.4558 63.546000 Cu 0.971182 0.983679 1 429 63.546 1.36694 -3.25282 63.546000 Cu 0.999556 0.968534 0.5 430 63.546 0.0739497 -3.42313 63.546000 Cu 0.914722 0.978136 0.5 431 63.546 0.967518 -3.43174 63.546000 Cu 0.826621 0.983387 0.5 454 63.546 4.17878 -2.99883 63.546000 Cu 0.885369 0.992761 1 456 63.546 7.01552 -3.49012