Number of particles = 900 A = 1 Angstrom (basic length-scale) H0(1,1) = 41.6102 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 83.2923 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.91528 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 0.0295596 0.00780095 1.07609e-16 483 63.546 0.011548 -5.76554 63.546000 Cu 0.0606077 0.0247039 0.5 485 63.546 0.00267036 -5.76396 63.546000 Cu 0.0961742 0.00810431 5.31678e-17 484 63.546 0.0113705 -5.76302 63.546000 Cu 0.126962 0.0253184 0.5 507 63.546 0.0207202 -5.75835 63.546000 Cu 0.16261 0.00862184 1 509 63.546 0.0921946 -5.74631 63.546000 Cu 0.227371 0.0118779 6.40783e-17 510 63.546 0.366393 -5.67147 63.546000 Cu 0.192417 0.0272399 0.5 511 63.546 0.092832 -5.7381 63.546000 Cu 0.257107 0.0323103 0.5 541 63.546 0.0978028 -5.72678 63.546000 Cu 0.292553 0.020326 4.62449e-17 543 63.546 0.508454 -5.68139 63.546000 Cu 0.329424 0.00629056 0.5 545 63.546 0.318728 -5.72658 63.546000 Cu 0.324103 0.0381306 0.5 546 63.546 0.129728 -5.7487 63.546000 Cu 0.360448 0.0231316 1 544 63.546 0.0394606 -5.75557 63.546000 Cu 0.396403 0.00730172 0.5 547 63.546 0.0206428 -5.76072 63.546000 Cu 0.391497 0.0399233 0.5 583 63.546 0.01117 -5.76255 63.546000 Cu 0.427434 0.023933 5.09525e-18 585 63.546 0.00525538 -5.76369 63.546000 Cu 0.494101 0.0243138 1 586 63.546 0.00262998 -5.76491 63.546000 Cu 0.462943 0.00757379 0.5 587 63.546 0.010262 -5.76543 63.546000 Cu 0.52956 0.00780095 0.5 589 63.546 0.011548 -5.76554 63.546000 Cu 0.560608 0.0247039 0 635 63.546 0.00267036 -5.76396 63.546000 Cu 0.596174 0.00810431 0.5 637 63.546 0.0113705 -5.76302 63.546000 Cu 0.626962 0.0253184 0 636 63.546 0.0207202 -5.75835 63.546000 Cu 0.66261 0.00862184 0.5 639 63.546 0.0921946 -5.74631 63.546000 Cu 0.692417 0.0272399 1.27381e-18 693 63.546 0.092832 -5.7381 63.546000 Cu 0.727371 0.0118779 0.5 695 63.546 0.366393 -5.67147 63.546000 Cu 0.757107 0.0323103 1 694 63.546 0.0978028 -5.72678 63.546000 Cu 0.829424 0.00629056 5.53832e-20 456 63.546 0.318728 -5.72658 63.546000 Cu 0.792553 0.020326 0.5 457 63.546 0.508454 -5.68139 63.546000 Cu 0.824103 0.0381306 0 461 63.546 0.129728 -5.7487 63.546000 Cu 0.891497 0.0399233 1.8509e-16 462 63.546 0.01117 -5.76255 63.546000 Cu 0.860448 0.0231316 0.5 463 63.546 0.0394606 -5.75557 63.546000 Cu 0.896403 0.00730172 7.31058e-18 465 63.546 0.0206428 -5.76072 63.546000 Cu 0.927434 0.023933 0.5 467 63.546 0.00525538 -5.76369 63.546000 Cu 0.962943 0.00757379 1 466 63.546 0.010262 -5.76543 63.546000 Cu 0.994101 0.0243138 0.5 481 63.546 0.00262998 -5.76491 63.546000 Cu 0.0249983 0.0411842 5.31678e-17 480 63.546 0.000928435 -5.76496 63.546000 Cu 0.0202567 0.0745355 2.07299e-16 501 63.546 0.000862035 -5.76658 63.546000 Cu 0.0558208 0.0582357 0.5 503 63.546 0.00209448 -5.76539 63.546000 Cu 0.0865992 0.0755131 1.70026e-16 502 63.546 0.00563726 -5.76596 63.546000 Cu 0.0914101 0.0418215 1.98327e-16 505 63.546 0.00642946 -5.76329 63.546000 Cu 0.157295 0.0431861 1 506 63.546 0.035312 -5.7563 63.546000 Cu 0.122003 0.059319 0.5 508 63.546 0.0139719 -5.76324 63.546000 Cu 0.152572 0.077235 1.10766e-19 535 63.546 0.0185755 -5.76392 63.546000 Cu 0.187637 0.0616307 0.5 537 63.546 0.0329287 -5.75849 63.546000 Cu 0.222574 0.0465245 1.01407e-16 539 63.546 0.0594755 -5.74766 63.546000 Cu 0.253176 0.0658647 0.5 542 63.546 0.0202821 -5.75429 63.546000 Cu 0.288391 0.0523329 5.9703e-17 540 63.546 0.113334 -5.74082 63.546000 Cu 0.319818 0.070445 0.5 579 63.546 0.0497691 -5.76039 63.546000 Cu 0.355528 0.0554511 7.03366e-18 581 63.546 0.0278462 -5.76205 63.546000 Cu 0.386795 0.072586 0.5 584 63.546 0.00941645 -5.76615 63.546000 Cu 0.458425 0.0406653 0.5 588 63.546 0.00178269 -5.76482 63.546000 Cu 0.422596 0.0567857 8.53454e-17 582 63.546 0.00412968 -5.76547 63.546000 Cu 0.453658 0.0737007 0.5 629 63.546 0.00147659 -5.76674 63.546000 Cu 0.489347 0.0575323 1 631 63.546 0.000864989 -5.76585 63.546000 Cu 0.555821 0.0582357 0 632 63.546 0.00209448 -5.76539 63.546000 Cu 0.524998 0.0411842 0.5 633 63.546 0.000928435 -5.76496 63.546000 Cu 0.520257 0.0745355 0.5 634 63.546 0.000862035 -5.76658 63.546000 Cu 0.59141 0.0418215 0.5 638 63.546 0.00642946 -5.76329 63.546000 Cu 0.586599 0.0755131 0.5 687 63.546 0.00563726 -5.76596 63.546000 Cu 0.622003 0.059319 5.31678e-17 689 63.546 0.0139719 -5.76324 63.546000 Cu 0.657295 0.0431861 0.5 691 63.546 0.035312 -5.7563 63.546000 Cu 0.652572 0.077235 0.5 692 63.546 0.0185755 -5.76392 63.546000 Cu 0.687637 0.0616307 1.89521e-16 690 63.546 0.0329287 -5.75849 63.546000 Cu 0.722574 0.0465245 0.5 696 63.546 0.0594755 -5.74766 63.546000 Cu 0.753176 0.0658647 1 751 63.546 0.0202821 -5.75429 63.546000 Cu 0.819818 0.070445 2.76916e-17 458 63.546 0.0497691 -5.76039 63.546000 Cu 0.788391 0.0523329 0.5 459 63.546 0.113334 -5.74082 63.546000 Cu 0.855528 0.0554511 0.5 464 63.546 0.0278462 -5.76205 63.546000 Cu 0.886795 0.072586 0 475 63.546 0.00941645 -5.76615 63.546000 Cu 0.958425 0.0406653 1.10766e-19 479 63.546 0.00178269 -5.76482 63.546000 Cu 0.922596 0.0567857 0.5 477 63.546 0.00412968 -5.76547 63.546000 Cu 0.953658 0.0737007 6.92843e-17 476 63.546 0.00147659 -5.76674 63.546000 Cu 0.989347 0.0575323 0.5 482 63.546 0.000864989 -5.76585 63.546000 Cu 0.0156566 0.107864 5.62693e-17 498 63.546 0.000705549 -5.76801 63.546000 Cu 0.0511457 0.0917072 0.5 504 63.546 0.0021169 -5.7672 63.546000 Cu 0.0820204 0.109096 1.48981e-16 531 63.546 0.00455266 -5.76777 63.546000 Cu 0.148077 0.111024 1.26495e-16 532 63.546 0.00921767 -5.76707 63.546000 Cu 0.11732 0.0931035 0.5 533 63.546 0.00947813 -5.76656 63.546000 Cu 0.218241 0.0804179 5.20602e-17 536 63.546 0.0174846 -5.76144 63.546000 Cu 0.183204 0.0955258 0.5 538 63.546 0.0140466 -5.76494 63.546000 Cu 0.214048 0.113997 6.39122e-17 573 63.546 0.00631993 -5.76589 63.546000 Cu 0.249077 0.0991909 0.5 575 63.546 0.00594206 -5.76344 63.546000 Cu 0.28022 0.117762 1 574 63.546 0.00797537 -5.76534 63.546000 Cu 0.28432 0.0849147 0 577 63.546 0.0269345 -5.75992 63.546000 Cu 0.315588 0.103049 0.5 580 63.546 0.0201515 -5.76515 63.546000 Cu 0.35115 0.0880405 0 578 63.546 0.0194294 -5.76597 63.546000 Cu 0.382394 0.105382 0.5 625 63.546 0.00779636 -5.76803 63.546000 Cu 0.417977 0.089669 1.40729e-16 627 63.546 0.00345412 -5.7676 63.546000 Cu 0.484647 0.0907258 1 628 63.546 0.0006556 -5.76746 63.546000 Cu 0.449077 0.106775 0.5 630 63.546 0.00130146 -5.76827 63.546000 Cu 0.515657 0.107864 0.5 683 63.546 0.000705549 -5.76801 63.546000 Cu 0.551146 0.0917072 5.31678e-17 685 63.546 0.0021169 -5.7672 63.546000 Cu 0.58202 0.109096 0.5 688 63.546 0.00455266 -5.76777 63.546000 Cu 0.61732 0.0931035 5.31678e-17 686 63.546 0.00947813 -5.76656 63.546000 Cu 0.648077 0.111024 0.5 745 63.546 0.00921767 -5.76707 63.546000 Cu 0.683204 0.0955258 1.32587e-16 747 63.546 0.0140466 -5.76494 63.546000 Cu 0.749077 0.0991909 1.40119e-17 748 63.546 0.00594206 -5.76344 63.546000 Cu 0.718241 0.0804179 0.5 749 63.546 0.0174846 -5.76144 63.546000 Cu 0.714048 0.113997 0.5 750 63.546 0.00631993 -5.76589 63.546000 Cu 0.78432 0.0849147 0.5 460 63.546 0.0269345 -5.75992 63.546000 Cu 0.78022 0.117762 0.5 469 63.546 0.00797537 -5.76534 63.546000 Cu 0.815588 0.103049 3.85467e-17 471 63.546 0.0201515 -5.76515 63.546000 Cu 0.882394 0.105382 5.31678e-17 472 63.546 0.00779636 -5.76803 63.546000 Cu 0.85115 0.0880405 0.5 473 63.546 0.0194294 -5.76597 63.546000 Cu 0.917977 0.089669 0.5 478 63.546 0.00345412 -5.7676 63.546000 Cu 0.949077 0.106775 6.39675e-17 497 63.546 0.00130146 -5.76827 63.546000 Cu 0.984647 0.0907258 0.5 499 63.546 0.0006556 -5.76746 63.546000 Cu 0.0776198 0.142595 6.30814e-17 528 63.546 0.00289895 -5.76885 63.546000 Cu 0.0466506 0.125146 0.5 529 63.546 0.00149977 -5.76844 63.546000 Cu 0.0423154 0.158505 0.5 530 63.546 0.00130272 -5.76914 63.546000 Cu 0.0112512 0.141162 1.53633e-16 527 63.546 0.000387603 -5.7688 63.546000 Cu 0.112905 0.126732 0.5 534 63.546 0.0060979 -5.76829 63.546000 Cu 0.143816 0.144599 0 569 63.546 0.00545866 -5.76868 63.546000 Cu 0.209935 0.147418 5.31678e-17 570 63.546 0.00256673 -5.76763 63.546000 Cu 0.178954 0.129145 0.5 571 63.546 0.00737942 -5.76751 63.546000 Cu 0.245026 0.13245 0.5 576 63.546 0.00181656 -5.76664 63.546000 Cu 0.27614 0.150744 5.5217e-17 619 63.546 0.00271189 -5.76747 63.546000 Cu 0.311448 0.135838 0.5 621 63.546 0.00801431 -5.76739 63.546000 Cu 0.346882 0.120778 8.36286e-18 623 63.546 0.0116149 -5.76771 63.546000 Cu 0.342698 0.153643 1 620 63.546 0.00654581 -5.76873 63.546000 Cu 0.41362 0.122644 2.30394e-17 624 63.546 0.00328083 -5.76884 63.546000 Cu 0.378161 0.138276 0.5 626 63.546 0.0060651 -5.76898 63.546000 Cu 0.40932 0.155682 1.40452e-16 677 63.546 0.00315045 -5.7694 63.546000 Cu 0.475853 0.157146 1 678 63.546 0.000310457 -5.76913 63.546000 Cu 0.444761 0.139878 0.5 679 63.546 0.00107818 -5.76902 63.546000 Cu 0.48019 0.123926 1 681 63.546 0.000353265 -5.76859 63.546000 Cu 0.511251 0.141162 0.5 684 63.546 0.000387603 -5.7688 63.546000 Cu 0.546651 0.125146 7.42688e-17 682 63.546 0.00149977 -5.76844 63.546000 Cu 0.542315 0.158505 0 739 63.546 0.00130272 -5.76914 63.546000 Cu 0.57762 0.142595 0.5 741 63.546 0.00289895 -5.76885 63.546000 Cu 0.612905 0.126732 1 743 63.546 0.0060979 -5.76829 63.546000 Cu 0.643816 0.144599 0.5 746 63.546 0.00545866 -5.76868 63.546000 Cu 0.678954 0.129145 4.40296e-17 744 63.546 0.00737942 -5.76751 63.546000 Cu 0.709935 0.147418 0.5 795 63.546 0.00256673 -5.76763 63.546000 Cu 0.745026 0.13245 1.26772e-16 797 63.546 0.00181656 -5.76664 63.546000 Cu 0.811448 0.135838 1 468 63.546 0.00801431 -5.76739 63.546000 Cu 0.77614 0.150744 0.5 470 63.546 0.00271189 -5.76747 63.546000 Cu 0.846882 0.120778 0.5 474 63.546 0.0116149 -5.76771 63.546000 Cu 0.842698 0.153643 0.5 491 63.546 0.00654581 -5.76873 63.546000 Cu 0.878161 0.138276 1 493 63.546 0.0060651 -5.76898 63.546000 Cu 0.91362 0.122644 0.5 495 63.546 0.00328083 -5.76884 63.546000 Cu 0.90932 0.155682 0.5 496 63.546 0.00315045 -5.7694 63.546000 Cu 0.944761 0.139878 3.20004e-16 494 63.546 0.00107818 -5.76902 63.546000 Cu 0.98019 0.123926 0.5 500 63.546 0.000353265 -5.76859 63.546000 Cu 0.975853 0.157146 0.5 525 63.546 0.000310457 -5.76913 63.546000 Cu 0.0380771 0.191833 0.5 563 63.546 0.00115201 -5.76938 63.546000 Cu 0.0733564 0.175995 1.66149e-19 565 63.546 0.00204856 -5.76942 63.546000 Cu 0.00698404 0.174451 7.98071e-17 524 63.546 0.000223807 -5.7692 63.546000 Cu 0.139611 0.178028 1 566 63.546 0.00367088 -5.76939 63.546000 Cu 0.108586 0.160224 0.5 567 63.546 0.00381712 -5.76919 63.546000 Cu 0.104412 0.193623 0.5 568 63.546 0.00242363 -5.76962 63.546000 Cu 0.17481 0.162598 0.5 572 63.546 0.00469577 -5.76871 63.546000 Cu 0.170675 0.195945 0.5 613 63.546 0.00336124 -5.76922 63.546000 Cu 0.205859 0.180724 5.31678e-17 615 63.546 0.00173071 -5.76857 63.546000 Cu 0.241036 0.165681 0.5 617 63.546 0.000370315 -5.76787 63.546000 Cu 0.236957 0.198874 0.5 618 63.546 0.000264028 -5.76846 63.546000 Cu 0.272169 0.183844 1 616 63.546 0.00118873 -5.76843 63.546000 Cu 0.307386 0.168783 0.5 622 63.546 0.00355118 -5.76851 63.546000 Cu 0.338625 0.186626 6.54075e-17 673 63.546 0.00347481 -5.76932 63.546000 Cu 0.405176 0.18877 5.89277e-17 674 63.546 0.00250467 -5.76976 63.546000 Cu 0.373963 0.171262 0.5 675 63.546 0.00438207 -5.76953 63.546000 Cu 0.440513 0.173029 0.5 680 63.546 0.00114646 -5.76954 63.546000 Cu 0.471681 0.190385 5.53832e-20 735 63.546 0.000395124 -5.76944 63.546000 Cu 0.506984 0.174451 0.5 737 63.546 0.000223807 -5.7692 63.546000 Cu 0.538077 0.191833 1 736 63.546 0.00115201 -5.76938 63.546000 Cu 0.573356 0.175995 0.5 742 63.546 0.00204856 -5.76942 63.546000 Cu 0.608586 0.160224 3.98759e-17 740 63.546 0.00381712 -5.76919 63.546000 Cu 0.604412 0.193623 1.35689e-17 789 63.546 0.00242363 -5.76962 63.546000 Cu 0.639611 0.178028 0.5 791 63.546 0.00367088 -5.76939 63.546000 Cu 0.670675 0.195945 1.30317e-16 790 63.546 0.00336124 -5.76922 63.546000 Cu 0.67481 0.162598 1 793 63.546 0.00469577 -5.76871 63.546000 Cu 0.741036 0.165681 1.70026e-17 794 63.546 0.000370315 -5.76787 63.546000 Cu 0.705859 0.180724 0.5 796 63.546 0.00173071 -5.76857 63.546000 Cu 0.736957 0.198874 8.51793e-17 835 63.546 0.000264028 -5.76846 63.546000 Cu 0.772169 0.183844 0.5 487 63.546 0.00118873 -5.76843 63.546000 Cu 0.807386 0.168783 2.50332e-17 489 63.546 0.00355118 -5.76851 63.546000 Cu 0.838625 0.186626 0.5 492 63.546 0.00347481 -5.76932 63.546000 Cu 0.873963 0.171262 0 490 63.546 0.00438207 -5.76953 63.546000 Cu 0.905176 0.18877 0.5 521 63.546 0.00250467 -5.76976 63.546000 Cu 0.940513 0.173029 1.53467e-16 523 63.546 0.00114646 -5.76954 63.546000 Cu 0.971681 0.190385 0.5 526 63.546 0.000395124 -5.76944 63.546000 Cu 0.0691577 0.209343 6.09215e-18 562 63.546 0.00161348 -5.76967 63.546000 Cu 0.0339257 0.225156 0.5 564 63.546 0.000710786 -5.76959 63.546000 Cu 0.00277844 0.207757 1.01517e-16 561 63.546 0.000107936 -5.7694 63.546000 Cu 0.100273 0.226945 0.5 609 63.546 0.00197818 -5.76985 63.546000 Cu 0.135484 0.211364 0 611 63.546 0.00299564 -5.7697 63.546000 Cu 0.166632 0.229211 0.5 614 63.546 0.00277828 -5.76943 63.546000 Cu 0.201795 0.213975 2.5587e-17 612 63.546 0.00137041 -5.76884 63.546000 Cu 0.23302 0.232036 0.5 667 63.546 0.000118303 -5.76859 63.546000 Cu 0.268179 0.216965 5.53832e-20 669 63.546 0.0005374 -5.76857 63.546000 Cu 0.303365 0.201851 0.5 671 63.546 0.00221557 -5.76898 63.546000 Cu 0.299419 0.234965 0.5 672 63.546 0.00138609 -5.76903 63.546000 Cu 0.334593 0.219719 1 670 63.546 0.00245233 -5.7695 63.546000 Cu 0.369839 0.204332 0.5 676 63.546 0.00312711 -5.76978 63.546000 Cu 0.365789 0.237493 0.5 729 63.546 0.002933 -5.76981 63.546000 Cu 0.401025 0.22194 1 731 63.546 0.00258783 -5.7699 63.546000 Cu 0.467497 0.223635 1 732 63.546 0.000342385 -5.76965 63.546000 Cu 0.436334 0.206214 0.5 733 63.546 0.000995044 -5.76971 63.546000 Cu 0.432252 0.23944 0.5 734 63.546 0.00104826 -5.76981 63.546000 Cu 0.502778 0.207757 0.5 738 63.546 0.000107936 -5.7694 63.546000 Cu 0.533926 0.225156 3.01838e-17 785 63.546 0.000710786 -5.76959 63.546000 Cu 0.569158 0.209343 0.5 787 63.546 0.00161348 -5.76967 63.546000 Cu 0.600273 0.226945 1 786 63.546 0.00197818 -5.76985 63.546000 Cu 0.635484 0.211364 0.5 792 63.546 0.00299564 -5.7697 63.546000 Cu 0.666632 0.229211 1.46322e-16 831 63.546 0.00277828 -5.76943 63.546000 Cu 0.73302 0.232036 1 832 63.546 0.000118303 -5.76859 63.546000 Cu 0.701795 0.213975 0.5 833 63.546 0.00137041 -5.76884 63.546000 Cu 0.803365 0.201851 1.47596e-16 486 63.546 0.00221557 -5.76898 63.546000 Cu 0.768179 0.216965 0.5 488 63.546 0.0005374 -5.76857 63.546000 Cu 0.799419 0.234965 1.47264e-16 515 63.546 0.00138609 -5.76903 63.546000 Cu 0.834593 0.219719 0.5 517 63.546 0.00245233 -5.7695 63.546000 Cu 0.865789 0.237493 5.33894e-17 516 63.546 0.002933 -5.76981 63.546000 Cu 0.869839 0.204332 5.31678e-17 519 63.546 0.00312711 -5.76978 63.546000 Cu 0.901025 0.22194 0.5 522 63.546 0.00258783 -5.7699 63.546000 Cu 0.936334 0.206214 1.9085e-16 520 63.546 0.000995044 -5.76971 63.546000 Cu 0.932252 0.23944 1 557 63.546 0.00104826 -5.76981 63.546000 Cu 0.967497 0.223635 0.5 559 63.546 0.000342385 -5.76965 63.546000 Cu 0.0611261 0.275879 1 604 63.546 0.00114794 -5.76988 63.546000 Cu 0.0298755 0.258442 0.5 605 63.546 0.00040943 -5.76971 63.546000 Cu 0.0650859 0.242646 3.32853e-17 607 63.546 0.00114832 -5.76982 63.546000 Cu 0.0963156 0.260195 0.5 610 63.546 0.00181648 -5.76993 63.546000 Cu 0.131463 0.24462 2.32609e-17 608 63.546 0.00286339 -5.76978 63.546000 Cu 0.127632 0.277808 2.57532e-17 661 63.546 0.00287801 -5.76971 63.546000 Cu 0.16274 0.262413 0.5 663 63.546 0.00260142 -5.76934 63.546000 Cu 0.197824 0.247154 2.38148e-18 665 63.546 0.00176239 -5.76892 63.546000 Cu 0.229122 0.265181 0.5 668 63.546 0.000490671 -5.7683 63.546000 Cu 0.264233 0.250104 3.26207e-17 666 63.546 0.000326524 -5.76856 63.546000 Cu 0.295516 0.268148 0.5 725 63.546 0.00128136 -5.76868 63.546000 Cu 0.330632 0.252899 1 727 63.546 0.00253978 -5.76938 63.546000 Cu 0.397024 0.255154 5.31678e-17 728 63.546 0.00226325 -5.76987 63.546000 Cu 0.36186 0.27075 0.5 730 63.546 0.00346667 -5.76963 63.546000 Cu 0.42822 0.272725 0.5 779 63.546 0.0014666 -5.76974 63.546000 Cu 0.46345 0.256892 2.85777e-17 781 63.546 0.000303354 -5.76966 63.546000 Cu 0.49871 0.241032 0.5 783 63.546 3.59961e-05 -5.76961 63.546000 Cu 0.494649 0.274299 0.5 784 63.546 6.85793e-05 -5.76966 63.546000 Cu 0.529876 0.258442 5.31678e-17 782 63.546 0.00040943 -5.76971 63.546000 Cu 0.565086 0.242646 0.5 788 63.546 0.00114832 -5.76982 63.546000 Cu 0.561126 0.275879 0.5 825 63.546 0.00114794 -5.76988 63.546000 Cu 0.596316 0.260195 1 827 63.546 0.00181648 -5.76993 63.546000 Cu 0.66274 0.262413 1.60611e-18 828 63.546 0.00260142 -5.76934 63.546000 Cu 0.631463 0.24462 0.5 829 63.546 0.00286339 -5.76978 63.546000 Cu 0.627632 0.277808 0.5 830 63.546 0.00287801 -5.76971 63.546000 Cu 0.697824 0.247154 0.5 834 63.546 0.00176239 -5.76892 63.546000 Cu 0.729122 0.265181 1 865 63.546 0.000490671 -5.7683 63.546000 Cu 0.795516 0.268148 1.6039e-16 513 63.546 0.00128136 -5.76868 63.546000 Cu 0.764233 0.250104 0.5 514 63.546 0.000326524 -5.76856 63.546000 Cu 0.830632 0.252899 0.5 518 63.546 0.00253978 -5.76938 63.546000 Cu 0.86186 0.27075 2.03588e-16 553 63.546 0.00346667 -5.76963 63.546000 Cu 0.897024 0.255154 0.5 555 63.546 0.00226325 -5.76987 63.546000 Cu 0.92822 0.272725 7.05028e-17 554 63.546 0.0014666 -5.76974 63.546000 Cu 0.99871 0.241032 5.31678e-17 558 63.546 3.59961e-05 -5.76961 63.546000 Cu 0.96345 0.256892 0.5 560 63.546 0.000303354 -5.76966 63.546000 Cu 0.994649 0.274299 5.09525e-17 603 63.546 6.85793e-05 -5.76966 63.546000 Cu 0.0259258 0.291686 0.5 606 63.546 0.000323509 -5.76973 63.546000 Cu 0.0572473 0.30906 5.31678e-17 657 63.546 0.00116722 -5.76976 63.546000 Cu 0.0924655 0.293364 0.5 659 63.546 0.00201689 -5.76985 63.546000 Cu 0.123839 0.310894 1 658 63.546 0.003861 -5.76946 63.546000 Cu 0.159008 0.295532 0.5 664 63.546 0.00329608 -5.76911 63.546000 Cu 0.194091 0.280306 1.02182e-16 662 63.546 0.00192344 -5.76861 63.546000 Cu 0.190399 0.313384 9.96897e-17 719 63.546 0.00348664 -5.76817 63.546000 Cu 0.225466 0.298324 0.5 721 63.546 0.000982056 -5.76791 63.546000 Cu 0.256786 0.31649 8.58439e-17 720 63.546 0.000522671 -5.76737 63.546000 Cu 0.260473 0.283267 1.33473e-17 723 63.546 0.000187379 -5.76803 63.546000 Cu 0.32677 0.28617 1 724 63.546 0.00318161 -5.76897 63.546000 Cu 0.291766 0.301412 0.5 726 63.546 0.00159739 -5.76809 63.546000 Cu 0.322984 0.319534 1.66149e-19 773 63.546 0.00464842 -5.76839 63.546000 Cu 0.357999 0.304095 0.5 775 63.546 0.0045562 -5.76926 63.546000 Cu 0.393068 0.288469 5.31678e-17 777 63.546 0.00288168 -5.76969 63.546000 Cu 0.424295 0.306057 0.5 780 63.546 0.00180337 -5.76957 63.546000 Cu 0.459448 0.290185 1 778 63.546 0.00043802 -5.76963 63.546000 Cu 0.490708 0.30757 0.5 821 63.546 0.000118422 -5.76956 63.546000 Cu 0.525926 0.291686 1.13535e-16 823 63.546 0.000323509 -5.76973 63.546000 Cu 0.557247 0.30906 0.5 826 63.546 0.00116722 -5.76976 63.546000 Cu 0.592465 0.293364 4.90141e-17 824 63.546 0.00201689 -5.76985 63.546000 Cu 0.623839 0.310894 0.5 859 63.546 0.003861 -5.76946 63.546000 Cu 0.659008 0.295532 5.31678e-17 861 63.546 0.00329608 -5.76911 63.546000 Cu 0.725466 0.298324 7.65949e-17 862 63.546 0.000982056 -5.76791 63.546000 Cu 0.694091 0.280306 0.5 863 63.546 0.00192344 -5.76861 63.546000 Cu 0.690399 0.313384 0.5 864 63.546 0.00348664 -5.76817 63.546000 Cu 0.760473 0.283267 0.5 866 63.546 0.000187379 -5.76803 63.546000 Cu 0.756786 0.31649 0.5 887 63.546 0.000522671 -5.76737 63.546000 Cu 0.791766 0.301412 5.31678e-17 549 63.546 0.00159739 -5.76809 63.546000 Cu 0.82677 0.28617 0.5 551 63.546 0.00318161 -5.76897 63.546000 Cu 0.822984 0.319534 0.5 552 63.546 0.00464842 -5.76839 63.546000 Cu 0.857999 0.304095 1 550 63.546 0.0045562 -5.76926 63.546000 Cu 0.893068 0.288469 0.5 556 63.546 0.00288168 -5.76969 63.546000 Cu 0.924295 0.306057 7.27181e-17 599 63.546 0.00180337 -5.76957 63.546000 Cu 0.990708 0.30757 1 600 63.546 0.000118422 -5.76956 63.546000 Cu 0.959448 0.290185 0.5 601 63.546 0.00043802 -5.76963 63.546000 Cu 0.0532706 0.342192 1.79884e-16 654 63.546 0.0012956 -5.76941 63.546000 Cu 0.0219921 0.324902 0.5 655 63.546 0.000392852 -5.76951 63.546000 Cu 0.017943 0.358104 0.5 656 63.546 0.000573406 -5.76908 63.546000 Cu 0.0885944 0.326454 0.5 660 63.546 0.00256618 -5.76956 63.546000 Cu 0.119941 0.343881 6.7069e-17 715 63.546 0.0054198 -5.76899 63.546000 Cu 0.155235 0.328545 0.5 717 63.546 0.00539712 -5.76858 63.546000 Cu 0.0845747 0.359471 0.5 713 63.546 0.00317807 -5.76909 63.546000 Cu 0.186632 0.346352 1 716 63.546 0.00770675 -5.76712 63.546000 Cu 0.221783 0.331432 0.5 722 63.546 0.00264673 -5.76703 63.546000 Cu 0.253057 0.349742 8.36286e-17 769 63.546 0.00175839 -5.76603 63.546000 Cu 0.319127 0.353001 3.87682e-17 770 63.546 0.00752965 -5.76728 63.546000 Cu 0.288016 0.334756 0.5 771 63.546 0.00305659 -5.76725 63.546000 Cu 0.389186 0.321851 1 774 63.546 0.00369965 -5.7693 63.546000 Cu 0.354133 0.337526 0.5 776 63.546 0.00622259 -5.7686 63.546000 Cu 0.385214 0.355337 4.79064e-17 815 63.546 0.00536418 -5.76836 63.546000 Cu 0.420341 0.339447 0.5 817 63.546 0.00242521 -5.76905 63.546000 Cu 0.451483 0.356883 5.31678e-17 816 63.546 0.00121034 -5.76873 63.546000 Cu 0.455504 0.323508 1.41227e-16 819 63.546 0.000740266 -5.76936 63.546000 Cu 0.486718 0.340847 0.5 822 63.546 0.00031267 -5.76918 63.546000 Cu 0.521992 0.324902 2.03755e-16 820 63.546 0.000392852 -5.76951 63.546000 Cu 0.517943 0.358104 5.53832e-20 853 63.546 0.000573406 -5.76908 63.546000 Cu 0.553271 0.342192 0.5 855 63.546 0.0012956 -5.76941 63.546000 Cu 0.588594 0.326454 1.59947e-16 857 63.546 0.00256618 -5.76956 63.546000 Cu 0.655235 0.328545 1 858 63.546 0.00539712 -5.76858 63.546000 Cu 0.619941 0.343881 0.5 860 63.546 0.0054198 -5.76899 63.546000 Cu 0.584575 0.359471 1 854 63.546 0.00317807 -5.76909 63.546000 Cu 0.686632 0.346352 0.5 884 63.546 0.00770675 -5.76712 63.546000 Cu 0.721783 0.331432 1.53024e-16 886 63.546 0.00264673 -5.76703 63.546000 Cu 0.753057 0.349742 0.5 888 63.546 0.00175839 -5.76603 63.546000 Cu 0.788016 0.334756 5.31678e-17 548 63.546 0.00305659 -5.76725 63.546000 Cu 0.819127 0.353001 0.5 593 63.546 0.00752965 -5.76728 63.546000 Cu 0.854133 0.337526 1 595 63.546 0.00622259 -5.7686 63.546000 Cu 0.889186 0.321851 0.5 597 63.546 0.00369965 -5.7693 63.546000 Cu 0.885214 0.355337 0.5 598 63.546 0.00536418 -5.76836 63.546000 Cu 0.920341 0.339447 0 596 63.546 0.00242521 -5.76905 63.546000 Cu 0.955504 0.323508 0.5 602 63.546 0.000740266 -5.76936 63.546000 Cu 0.951483 0.356883 0.5 651 63.546 0.00121034 -5.76873 63.546000 Cu 0.986718 0.340847 9.12714e-17 653 63.546 0.00031267 -5.76918 63.546000 Cu 0.0492059 0.375295 3.87682e-19 711 63.546 0.00151912 -5.76891 63.546000 Cu 0.0805389 0.392444 0.5 714 63.546 0.00365738 -5.76835 63.546000 Cu 0.013848 0.39132 0.5 709 63.546 0.000818032 -5.76833 63.546000 Cu 0.115943 0.376778 5.31678e-17 712 63.546 0.00720749 -5.76819 63.546000 Cu 0.151328 0.361419 0.5 718 63.546 0.0101222 -5.76752 63.546000 Cu 0.147416 0.394162 0.5 763 63.546 0.0180146 -5.76565 63.546000 Cu 0.182791 0.379167 7.91979e-18 765 63.546 0.0186972 -5.76457 63.546000 Cu 0.249329 0.383015 1.15252e-16 766 63.546 0.00555898 -5.76246 63.546000 Cu 0.218007 0.364451 0.5 767 63.546 0.0071417 -5.76477 63.546000 Cu 0.214295 0.397324 0.5 768 63.546 0.0241393 -5.75854 63.546000 Cu 0.284209 0.368192 0.5 772 63.546 0.00695654 -5.76538 63.546000 Cu 0.315233 0.386633 7.47673e-18 811 63.546 0.0142826 -5.76457 63.546000 Cu 0.381157 0.388988 0 812 63.546 0.00889245 -5.76658 63.546000 Cu 0.350168 0.371104 0.5 813 63.546 0.00975102 -5.76705 63.546000 Cu 0.416283 0.37295 0.5 818 63.546 0.00368062 -5.768 63.546000 Cu 0.447371 0.390341 1.03954e-16 849 63.546 0.00178313 -5.76769 63.546000 Cu 0.482641 0.374165 0.5 851 63.546 0.000565933 -5.76851 63.546000 Cu 0.513848 0.39132 2.21533e-19 850 63.546 0.000818032 -5.76833 63.546000 Cu 0.549206 0.375295 0.5 856 63.546 0.00151912 -5.76891 63.546000 Cu 0.580539 0.392444 1.23061e-16 878 63.546 0.00365738 -5.76835 63.546000 Cu 0.647416 0.394162 5.31678e-17 879 63.546 0.0180146 -5.76565 63.546000 Cu 0.615943 0.376778 0.5 880 63.546 0.00720749 -5.76819 63.546000 Cu 0.651328 0.361419 1 882 63.546 0.0101222 -5.76752 63.546000 Cu 0.749329 0.383015 0.5 454 63.546 0.00555898 -5.76246 63.546000 Cu 0.718007 0.364451 6.05892e-17 883 63.546 0.0071417 -5.76477 63.546000 Cu 0.682791 0.379167 0.5 885 63.546 0.0186972 -5.76457 63.546000 Cu 0.714295 0.397324 1.77669e-16 900 63.546 0.0241393 -5.75854 63.546000 Cu 0.784209 0.368192 1 591 63.546 0.00695654 -5.76538 63.546000 Cu 0.815233 0.386633 0.5 594 63.546 0.0142826 -5.76457 63.546000 Cu 0.850168 0.371104 1.62882e-16 592 63.546 0.00975102 -5.76705 63.546000 Cu 0.881157 0.388988 0.5 647 63.546 0.00889245 -5.76658 63.546000 Cu 0.916283 0.37295 1.12372e-16 649 63.546 0.00368062 -5.768 63.546000 Cu 0.982641 0.374165 1.5607e-16 650 63.546 0.000565933 -5.76851 63.546000 Cu 0.947371 0.390341 0.5 652 63.546 0.00178313 -5.76769 63.546000 Cu 0.0450906 0.408388 1 708 63.546 0.00177179 -5.7679 63.546000 Cu 0.0763893 0.425365 0.5 759 63.546 0.00409171 -5.7668 63.546000 Cu 0.00962893 0.424562 0.5 710 63.546 0.000942879 -5.76705 63.546000 Cu 0.111954 0.409581 1.12372e-16 761 63.546 0.00922907 -5.76671 63.546000 Cu 0.143469 0.426744 0.5 764 63.546 0.0280277 -5.76218 63.546000 Cu 0.179002 0.411782 1 762 63.546 0.046996 -5.7594 63.546000 Cu 0.210705 0.429905 0.5 805 63.546 0.106717 -5.73927 63.546000 Cu 0.245723 0.416352 4.1925e-17 807 63.546 0.0206956 -5.75254 63.546000 Cu 0.311306 0.420538 1 808 63.546 0.0328785 -5.75796 63.546000 Cu 0.280423 0.40177 0.5 809 63.546 0.0176082 -5.76054 63.546000 Cu 0.276622 0.43566 0.5 810 63.546 0.0581953 -5.74636 63.546000 Cu 0.346148 0.404891 0.5 814 63.546 0.0178575 -5.76378 63.546000 Cu 0.341922 0.43898 0.5 843 63.546 0.0360127 -5.75595 63.546000 Cu 0.376996 0.422812 3.21222e-18 845 63.546 0.0138937 -5.76329 63.546000 Cu 0.412145 0.40657 0.5 847 63.546 0.00513815 -5.7663 63.546000 Cu 0.443152 0.423863 6.82874e-17 846 63.546 0.00196302 -5.76613 63.546000 Cu 0.478485 0.407526 0.5 852 63.546 0.000763703 -5.76738 63.546000 Cu 0.509629 0.424562 1 874 63.546 0.000942879 -5.76705 63.546000 Cu 0.576389 0.425365 2.891e-17 875 63.546 0.00409171 -5.7668 63.546000 Cu 0.545091 0.408388 0.5 876 63.546 0.00177179 -5.7679 63.546000 Cu 0.611954 0.409581 0.5 881 63.546 0.00922907 -5.76671 63.546000 Cu 0.643469 0.426744 1.2727e-16 896 63.546 0.0280277 -5.76218 63.546000 Cu 0.679002 0.411782 0.5 898 63.546 0.046996 -5.7594 63.546000 Cu 0.745723 0.416352 0.5 452 63.546 0.0206956 -5.75254 63.546000 Cu 0.710705 0.429905 2.60855e-17 897 63.546 0.106717 -5.73927 63.546000 Cu 0.780423 0.40177 5.43309e-17 590 63.546 0.0176082 -5.76054 63.546000 Cu 0.776622 0.43566 9.77513e-17 641 63.546 0.0581953 -5.74636 63.546000 Cu 0.811306 0.420538 0.5 643 63.546 0.0328785 -5.75796 63.546000 Cu 0.841922 0.43898 5.31678e-17 642 63.546 0.0360127 -5.75595 63.546000 Cu 0.846148 0.404891 1.03733e-16 645 63.546 0.0178575 -5.76378 63.546000 Cu 0.912145 0.40657 1.67811e-17 646 63.546 0.00513815 -5.7663 63.546000 Cu 0.876996 0.422812 0.5 648 63.546 0.0138937 -5.76329 63.546000 Cu 0.943152 0.423863 0.5 705 63.546 0.00196302 -5.76613 63.546000 Cu 0.978485 0.407526 1.27381e-17 707 63.546 0.000763703 -5.76738 63.546000 Cu 0.0367865 0.474603 1 754 63.546 0.0112087 -5.76692 63.546000 Cu 0.0408181 0.441476 7.16658e-17 757 63.546 0.00181131 -5.76643 63.546000 Cu 0.0720531 0.458268 0.5 760 63.546 0.00498279 -5.76541 63.546000 Cu 0.00538532 0.457831 0.5 755 63.546 0.00288397 -5.76629 63.546000 Cu 0.107723 0.442274 1.1132e-17 758 63.546 0.0109455 -5.76385 63.546000 Cu 0.103357 0.474923 1.02514e-16 799 63.546 0.0203479 -5.76258 63.546000 Cu 0.139055 0.459107 0.5 801 63.546 0.0389862 -5.75689 63.546000 Cu 0.17515 0.444101 1.47098e-16 803 63.546 0.125743 -5.7479 63.546000 Cu 0.242267 0.449892 5.88723e-17 804 63.546 0.0938094 -5.72458 63.546000 Cu 0.206996 0.461947 0.5 806 63.546 0.482287 -5.67877 63.546000 Cu 0.170344 0.475962 1 800 63.546 0.314628 -5.72766 63.546000 Cu 0.272361 0.470309 0.5 839 63.546 0.358016 -5.66987 63.546000 Cu 0.307075 0.454942 0 841 63.546 0.0928683 -5.73749 63.546000 Cu 0.40784 0.440303 0.5 848 63.546 0.00600761 -5.76387 63.546000 Cu 0.337108 0.473585 0.5 844 63.546 0.0965477 -5.74619 63.546000 Cu 0.372548 0.456853 1 842 63.546 0.0212116 -5.75853 63.546000 Cu 0.403618 0.474071 0.5 869 63.546 0.010869 -5.76371 63.546000 Cu 0.438873 0.457423 2.59747e-17 870 63.546 0.00280906 -5.76504 63.546000 Cu 0.474224 0.440925 0.5 872 63.546 0.000850572 -5.76609 63.546000 Cu 0.470211 0.474348 0.5 873 63.546 0.0112196 -5.76676 63.546000 Cu 0.505385 0.457831 5.53832e-20 871 63.546 0.00288397 -5.76629 63.546000 Cu 0.540818 0.441476 0.5 877 63.546 0.00181131 -5.76643 63.546000 Cu 0.536786 0.474603 0.5 891 63.546 0.0112087 -5.76692 63.546000 Cu 0.572053 0.458268 2.20148e-16 892 63.546 0.00498279 -5.76541 63.546000 Cu 0.639055 0.459107 4.69649e-17 893 63.546 0.0389862 -5.75689 63.546000 Cu 0.607723 0.442274 0.5 894 63.546 0.0109455 -5.76385 63.546000 Cu 0.603357 0.474923 0.5 895 63.546 0.0203479 -5.76258 63.546000 Cu 0.67515 0.444101 0.5 899 63.546 0.125743 -5.7479 63.546000 Cu 0.742267 0.449892 0.5 32 63.546 0.0938094 -5.72458 63.546000 Cu 0.706996 0.461947 1 184 63.546 0.482287 -5.67877 63.546000 Cu 0.670344 0.475962 0.5 186 63.546 0.314628 -5.72766 63.546000 Cu 0.772361 0.470309 2.0957e-16 640 63.546 0.358016 -5.66987 63.546000 Cu 0.807075 0.454942 0.5 644 63.546 0.0928683 -5.73749 63.546000 Cu 0.90784 0.440303 8.4847e-17 703 63.546 0.00600761 -5.76387 63.546000 Cu 0.837108 0.473585 1.48039e-16 699 63.546 0.0965477 -5.74619 63.546000 Cu 0.903618 0.474071 1 700 63.546 0.010869 -5.76371 63.546000 Cu 0.872548 0.456853 0.5 701 63.546 0.0212116 -5.75853 63.546000 Cu 0.974224 0.440925 1.7058e-16 704 63.546 0.000850572 -5.76609 63.546000 Cu 0.938873 0.457423 0.5 706 63.546 0.00280906 -5.76504 63.546000 Cu 0.970211 0.474348 5.45524e-17 753 63.546 0.0112196 -5.76676 63.546000 Cu 0.0349997 0.507808 1 3 63.546 0.042574 -5.76868 63.546000 Cu 0.0685226 0.491283 0.5 798 63.546 0.0374363 -5.76706 63.546000 Cu 0.00215738 0.491127 0.5 756 63.546 0.0291548 -5.76846 63.546000 Cu 0.101272 0.507832 1.13148e-16 4 63.546 0.0520516 -5.76284 63.546000 Cu 0.134525 0.491444 0.5 802 63.546 0.0892006 -5.75584 63.546000 Cu 0.166256 0.507836 1 1 63.546 4.49779 -5.61705 63.546000 Cu 0.200266 0.492827 0.5 836 63.546 6.49108 -5.49361 63.546000 Cu 0.237775 0.483294 2.06856e-16 837 63.546 6.38922 -5.47557 63.546000 Cu 0.301464 0.490496 9.06622e-17 838 63.546 0.591997 -5.69197 63.546000 Cu 0.263173 0.50772 0.5 840 63.546 6.01359 -5.48502 63.546000 Cu 0.333542 0.507744 0.5 136 63.546 0.203093 -5.73776 63.546000 Cu 0.36851 0.490856 7.56534e-17 867 63.546 0.0452067 -5.76004 63.546000 Cu 0.401361 0.507729 0.5 135 63.546 0.0709021 -5.76356 63.546000 Cu 0.468443 0.507753 0.5 94 63.546 0.0434797 -5.7682 63.546000 Cu 0.435485 0.490989 5.19494e-17 868 63.546 0.0311218 -5.76686 63.546000 Cu 0.502157 0.491127 2.76916e-19 889 63.546 0.0291548 -5.76846 63.546000 Cu 0.535 0.507808 0.5 93 63.546 0.042574 -5.76868 63.546000 Cu 0.568523 0.491283 1.10656e-16 890 63.546 0.0374363 -5.76706 63.546000 Cu 0.601272 0.507832 0.5 60 63.546 0.0520516 -5.76284 63.546000 Cu 0.634525 0.491444 1 411 63.546 0.0892006 -5.75584 63.546000 Cu 0.666256 0.507836 0.5 59 63.546 4.49779 -5.61705 63.546000 Cu 0.737775 0.483294 0.5 31 63.546 6.38922 -5.47557 63.546000 Cu 0.700266 0.492827 1.13092e-16 409 63.546 6.49108 -5.49361 63.546000 Cu 0.763173 0.50772 1 697 63.546 6.01359 -5.48502 63.546000 Cu 0.801464 0.490496 0.5 698 63.546 0.591997 -5.69197 63.546000 Cu 0.833542 0.507744 0 33 63.546 0.203093 -5.73776 63.546000 Cu 0.86851 0.490856 0.5 702 63.546 0.0452067 -5.76004 63.546000 Cu 0.901361 0.507729 1 13 63.546 0.0709021 -5.76356 63.546000 Cu 0.968443 0.507753 1 14 63.546 0.0434797 -5.7682 63.546000 Cu 0.935485 0.490989 0.5 752 63.546 0.0311218 -5.76686 63.546000 Cu 0.00257722 0.524444 0.5 16 63.546 0.0283763 -5.76698 63.546000 Cu 0.0376226 0.541015 8.47362e-18 18 63.546 0.00998071 -5.76486 63.546000 Cu 0.00658023 0.55775 0.5 21 63.546 0.00267859 -5.76395 63.546000 Cu 0.0689438 0.524371 0.5 7 63.546 0.0358938 -5.76573 63.546000 Cu 0.0732229 0.557379 0.5 20 63.546 0.00554622 -5.76336 63.546000 Cu 0.134914 0.524223 0.5 6 63.546 0.0915566 -5.75427 63.546000 Cu 0.104159 0.540743 1.70414e-16 5 63.546 0.0211415 -5.7606 63.546000 Cu 0.140201 0.556545 0.5 11 63.546 0.0411406 -5.75607 63.546000 Cu 0.200661 0.522786 0.5 2 63.546 8.29997 -5.49501 63.546000 Cu 0.171122 0.539659 5.31678e-17 8 63.546 0.31786 -5.72662 63.546000 Cu 0.208078 0.553654 0.5 10 63.546 0.502816 -5.68235 63.546000 Cu 0.238418 0.532226 5.31678e-17 185 63.546 6.39235 -5.48109 63.546000 Cu 0.301941 0.525004 3.17899e-17 187 63.546 0.58497 -5.68913 63.546000 Cu 0.273232 0.545149 0.5 190 63.546 0.37841 -5.66973 63.546000 Cu 0.368951 0.524621 2.33163e-17 134 63.546 0.0427632 -5.75876 63.546000 Cu 0.337956 0.541905 0.5 189 63.546 0.0919303 -5.74515 63.546000 Cu 0.404443 0.541389 0.5 140 63.546 0.0101002 -5.76199 63.546000 Cu 0.373744 0.558604 1 191 63.546 0.0212427 -5.75746 63.546000 Cu 0.435903 0.524474 1 137 63.546 0.0304949 -5.76547 63.546000 Cu 0.440068 0.558043 7.10012e-17 138 63.546 0.00281717 -5.76291 63.546000 Cu 0.471054 0.541162 0.5 139 63.546 0.00956561 -5.76447 63.546000 Cu 0.502577 0.524444 1.10766e-19 92 63.546 0.0283763 -5.76698 63.546000 Cu 0.537623 0.541015 0.5 98 63.546 0.00998071 -5.76486 63.546000 Cu 0.50658 0.55775 3.44483e-17 141 63.546 0.00267859 -5.76395 63.546000 Cu 0.568944 0.524371 7.75364e-19 95 63.546 0.0358938 -5.76573 63.546000 Cu 0.573223 0.557379 3.26761e-18 96 63.546 0.00554622 -5.76336 63.546000 Cu 0.634914 0.524223 1.75565e-17 58 63.546 0.0915566 -5.75427 63.546000 Cu 0.604159 0.540743 0.5 97 63.546 0.0211415 -5.7606 63.546000 Cu 0.640201 0.556545 1 99 63.546 0.0411406 -5.75607 63.546000 Cu 0.700661 0.522786 5.31678e-17 61 63.546 8.29997 -5.49501 63.546000 Cu 0.708078 0.553654 6.02015e-17 62 63.546 0.502816 -5.68235 63.546000 Cu 0.671122 0.539659 0.5 64 63.546 0.31786 -5.72662 63.546000 Cu 0.738418 0.532226 0.5 63 63.546 6.39235 -5.48109 63.546000 Cu 0.801941 0.525004 0.5 36 63.546 0.58497 -5.68913 63.546000 Cu 0.773232 0.545149 1.84371e-16 65 63.546 0.37841 -5.66973 63.546000 Cu 0.837956 0.541905 5.31678e-17 34 63.546 0.0919303 -5.74515 63.546000 Cu 0.868951 0.524621 0.5 35 63.546 0.0427632 -5.75876 63.546000 Cu 0.904443 0.541389 1.60057e-17 37 63.546 0.0101002 -5.76199 63.546000 Cu 0.873744 0.558604 0.5 40 63.546 0.0212427 -5.75746 63.546000 Cu 0.971054 0.541162 0 15 63.546 0.00956561 -5.76447 63.546000 Cu 0.935903 0.524474 0.5 17 63.546 0.0304949 -5.76547 63.546000 Cu 0.940068 0.558043 0.5 39 63.546 0.00281717 -5.76291 63.546000 Cu 0.0423648 0.574138 7.42134e-18 19 63.546 0.0020951 -5.7644 63.546000 Cu 0.0115126 0.591006 0.5 43 63.546 0.00106722 -5.76498 63.546000 Cu 0.0782441 0.59026 0.5 25 63.546 0.00445491 -5.76548 63.546000 Cu 0.109264 0.573375 5.53832e-20 22 63.546 0.0122181 -5.76266 63.546000 Cu 0.145294 0.58889 0.5 24 63.546 0.0297761 -5.76237 63.546000 Cu 0.176626 0.571506 2.57532e-17 9 63.546 0.128464 -5.74944 63.546000 Cu 0.212424 0.585672 0.5 12 63.546 0.109087 -5.74182 63.546000 Cu 0.243568 0.565626 1.45879e-16 242 63.546 0.0970354 -5.72737 63.546000 Cu 0.247729 0.599188 5.31678e-17 243 63.546 0.0205594 -5.75485 63.546000 Cu 0.308273 0.560535 1 188 63.546 0.0937422 -5.73789 63.546000 Cu 0.278193 0.579836 0.5 244 63.546 0.0590004 -5.74765 63.546000 Cu 0.313201 0.594924 3.81036e-17 245 63.546 0.0340384 -5.75868 63.546000 Cu 0.378874 0.592609 5.53832e-20 192 63.546 0.0158053 -5.76263 63.546000 Cu 0.34344 0.576465 0.5 194 63.546 0.0380209 -5.7559 63.546000 Cu 0.409374 0.575146 0.5 193 63.546 0.00646466 -5.76237 63.546000 Cu 0.475751 0.574591 0.5 144 63.546 0.00104079 -5.76377 63.546000 Cu 0.445035 0.591604 5.31678e-17 195 63.546 0.00224153 -5.7642 63.546000 Cu 0.511513 0.591006 1.64876e-16 142 63.546 0.00106722 -5.76498 63.546000 Cu 0.542365 0.574138 0.5 143 63.546 0.0020951 -5.7644 63.546000 Cu 0.578244 0.59026 1 145 63.546 0.00445491 -5.76548 63.546000 Cu 0.645294 0.58889 2.80239e-17 100 63.546 0.0297761 -5.76237 63.546000 Cu 0.609264 0.573375 0.5 102 63.546 0.0122181 -5.76266 63.546000 Cu 0.676626 0.571506 0.5 101 63.546 0.128464 -5.74944 63.546000 Cu 0.712424 0.585672 1 103 63.546 0.109087 -5.74182 63.546000 Cu 0.743568 0.565626 0.5 68 63.546 0.0970354 -5.72737 63.546000 Cu 0.747729 0.599188 0.5 105 63.546 0.0205594 -5.75485 63.546000 Cu 0.778193 0.579836 4.37527e-18 66 63.546 0.0590004 -5.74765 63.546000 Cu 0.808273 0.560535 0.5 67 63.546 0.0937422 -5.73789 63.546000 Cu 0.813201 0.594924 0.5 72 63.546 0.0340384 -5.75868 63.546000 Cu 0.84344 0.576465 1 69 63.546 0.0380209 -5.7559 63.546000 Cu 0.878874 0.592609 0.5 71 63.546 0.0158053 -5.76263 63.546000 Cu 0.909374 0.575146 5.53832e-20 38 63.546 0.00646466 -5.76237 63.546000 Cu 0.975751 0.574591 1 41 63.546 0.00104079 -5.76377 63.546000 Cu 0.945035 0.591604 0.5 44 63.546 0.00224153 -5.7642 63.546000 Cu 0.0473218 0.607212 1 45 63.546 0.00200787 -5.76626 63.546000 Cu 0.0164786 0.624227 0.5 48 63.546 0.000842287 -5.76641 63.546000 Cu 0.0831488 0.623178 0.5 47 63.546 0.00416031 -5.76734 63.546000 Cu 0.114153 0.606058 3.23438e-17 23 63.546 0.010254 -5.76621 63.546000 Cu 0.149979 0.621476 0.5 29 63.546 0.0195085 -5.7663 63.546000 Cu 0.118957 0.63887 5.08971e-17 49 63.546 0.00831623 -5.76805 63.546000 Cu 0.181137 0.603834 3.28976e-17 26 63.546 0.0492127 -5.76094 63.546000 Cu 0.185696 0.63646 5.31678e-17 27 63.546 0.0204808 -5.766 63.546000 Cu 0.216722 0.61827 0.5 28 63.546 0.0255037 -5.76068 63.546000 Cu 0.317963 0.628798 3.00177e-17 246 63.546 0.0154981 -5.76553 63.546000 Cu 0.282744 0.61373 0.5 248 63.546 0.0176257 -5.76204 63.546000 Cu 0.252103 0.632519 2.34825e-17 296 63.546 0.00505213 -5.76428 63.546000 Cu 0.348436 0.61053 0.5 247 63.546 0.019727 -5.76401 63.546000 Cu 0.383861 0.626395 7.28288e-17 249 63.546 0.0109527 -5.76613 63.546000 Cu 0.414416 0.608852 0.5 198 63.546 0.006067 -5.76497 63.546000 Cu 0.450038 0.625107 7.75918e-17 196 63.546 0.00192524 -5.76594 63.546000 Cu 0.480733 0.607979 0.5 197 63.546 0.000807907 -5.76533 63.546000 Cu 0.547322 0.607212 0.5 148 63.546 0.00200787 -5.76626 63.546000 Cu 0.516479 0.624227 3.38945e-17 199 63.546 0.000842287 -5.76641 63.546000 Cu 0.583149 0.623178 1 146 63.546 0.00416031 -5.76734 63.546000 Cu 0.614153 0.606058 0.5 147 63.546 0.010254 -5.76621 63.546000 Cu 0.649979 0.621476 1 149 63.546 0.0195085 -5.7663 63.546000 Cu 0.618957 0.63887 0.5 152 63.546 0.00831623 -5.76805 63.546000 Cu 0.716722 0.61827 1 104 63.546 0.0255037 -5.76068 63.546000 Cu 0.681137 0.603834 0.5 106 63.546 0.0492127 -5.76094 63.546000 Cu 0.685696 0.63646 0.5 151 63.546 0.0204808 -5.766 63.546000 Cu 0.782744 0.61373 5.31678e-17 107 63.546 0.0176257 -5.76204 63.546000 Cu 0.817963 0.628798 0.5 109 63.546 0.0154981 -5.76553 63.546000 Cu 0.752103 0.632519 0.5 110 63.546 0.00505213 -5.76428 63.546000 Cu 0.848436 0.61053 3.38391e-17 70 63.546 0.019727 -5.76401 63.546000 Cu 0.883861 0.626395 0.5 76 63.546 0.0109527 -5.76613 63.546000 Cu 0.914416 0.608852 5.31678e-17 73 63.546 0.006067 -5.76497 63.546000 Cu 0.980733 0.607979 6.20291e-18 42 63.546 0.000807907 -5.76533 63.546000 Cu 0.950038 0.625107 0.5 75 63.546 0.00192524 -5.76594 63.546000 Cu 0.0522701 0.6403 5.31678e-17 46 63.546 0.00174963 -5.76743 63.546000 Cu 0.0214542 0.657439 0.5 79 63.546 0.00053075 -5.76737 63.546000 Cu 0.057219 0.673421 5.53832e-20 81 63.546 0.00170714 -5.7681 63.546000 Cu 0.123817 0.671792 1 50 63.546 0.00657994 -5.76903 63.546000 Cu 0.088054 0.656175 0.5 52 63.546 0.00411612 -5.76837 63.546000 Cu 0.154713 0.654243 0.5 51 63.546 0.0120337 -5.76822 63.546000 Cu 0.221271 0.651134 0.5 30 63.546 0.00749137 -5.76621 63.546000 Cu 0.190385 0.669291 1.15252e-16 53 63.546 0.00962096 -5.76816 63.546000 Cu 0.256696 0.665756 2.85777e-17 297 63.546 0.00149621 -5.76728 63.546000 Cu 0.287381 0.647268 0.5 298 63.546 0.00718358 -5.7667 63.546000 Cu 0.322716 0.662373 1.79884e-16 299 63.546 0.00896507 -5.76816 63.546000 Cu 0.388765 0.659993 5.31678e-17 250 63.546 0.00744547 -5.76794 63.546000 Cu 0.353298 0.644262 0.5 252 63.546 0.0118888 -5.76741 63.546000 Cu 0.358155 0.677791 0.5 301 63.546 0.00806246 -5.76889 63.546000 Cu 0.419397 0.642437 0.5 251 63.546 0.00449585 -5.76689 63.546000 Cu 0.455008 0.658536 6.5906e-17 253 63.546 0.00139526 -5.76716 63.546000 Cu 0.424335 0.675909 0.5 256 63.546 0.0031861 -5.76791 63.546000 Cu 0.485726 0.641326 0.5 202 63.546 0.000480096 -5.76663 63.546000 Cu 0.490697 0.674628 0.5 255 63.546 0.000306505 -5.7674 63.546000 Cu 0.55227 0.6403 0.5 201 63.546 0.00174963 -5.76743 63.546000 Cu 0.521454 0.657439 8.52901e-18 200 63.546 0.00053075 -5.76737 63.546000 Cu 0.557219 0.673421 0.5 206 63.546 0.00170714 -5.7681 63.546000 Cu 0.588054 0.656175 8.21886e-17 203 63.546 0.00411612 -5.76837 63.546000 Cu 0.623817 0.671792 0.5 205 63.546 0.00657994 -5.76903 63.546000 Cu 0.654713 0.654243 5.89831e-17 150 63.546 0.0120337 -5.76822 63.546000 Cu 0.721271 0.651134 5.31678e-17 153 63.546 0.00749137 -5.76621 63.546000 Cu 0.690385 0.669291 0.5 156 63.546 0.00962096 -5.76816 63.546000 Cu 0.787381 0.647268 5.53832e-20 108 63.546 0.00718358 -5.7667 63.546000 Cu 0.756696 0.665756 0.5 155 63.546 0.00149621 -5.76728 63.546000 Cu 0.822716 0.662373 0.5 114 63.546 0.00896507 -5.76816 63.546000 Cu 0.853298 0.644262 1 111 63.546 0.0118888 -5.76741 63.546000 Cu 0.858155 0.677791 5.76539e-17 112 63.546 0.00806246 -5.76889 63.546000 Cu 0.888765 0.659993 0.5 113 63.546 0.00744547 -5.76794 63.546000 Cu 0.985726 0.641326 1.42889e-17 77 63.546 0.000480096 -5.76663 63.546000 Cu 0.990697 0.674628 1 78 63.546 0.000306505 -5.7674 63.546000 Cu 0.919397 0.642437 7.53765e-17 74 63.546 0.00449585 -5.76689 63.546000 Cu 0.955008 0.658536 0.5 80 63.546 0.00139526 -5.76716 63.546000 Cu 0.924335 0.675909 1 115 63.546 0.0031861 -5.76791 63.546000 Cu 0.0622132 0.706574 1 82 63.546 0.00159717 -5.76851 63.546000 Cu 0.026458 0.690654 0.5 84 63.546 0.000416415 -5.76778 63.546000 Cu 0.0929763 0.689226 0.5 83 63.546 0.00384583 -5.76895 63.546000 Cu 0.128657 0.704814 1 85 63.546 0.00542054 -5.76959 63.546000 Cu 0.159503 0.687139 0.5 56 63.546 0.00712802 -5.76923 63.546000 Cu 0.195098 0.702262 5.53832e-20 54 63.546 0.00515997 -5.76905 63.546000 Cu 0.225923 0.684137 0.5 55 63.546 0.00280243 -5.76806 63.546000 Cu 0.230623 0.717218 0.5 57 63.546 0.00127512 -5.76876 63.546000 Cu 0.292083 0.680643 0.5 302 63.546 0.00382821 -5.76839 63.546000 Cu 0.261381 0.69895 1 342 63.546 0.000493626 -5.76841 63.546000 Cu 0.296848 0.713907 0.5 344 63.546 0.00271956 -5.76912 63.546000 Cu 0.327522 0.695771 3.76052e-17 300 63.546 0.00645348 -5.76923 63.546000 Cu 0.393705 0.69345 1.22563e-16 303 63.546 0.00511301 -5.76881 63.546000 Cu 0.36306 0.711148 0.5 306 63.546 0.00688164 -5.76955 63.546000 Cu 0.460013 0.691905 1.53411e-17 254 63.546 0.000816099 -5.7677 63.546000 Cu 0.429361 0.709272 0.5 305 63.546 0.00227158 -5.76843 63.546000 Cu 0.49577 0.707906 0.5 260 63.546 5.37703e-05 -5.76772 63.546000 Cu 0.526458 0.690654 5.53832e-20 257 63.546 0.000416415 -5.76778 63.546000 Cu 0.562213 0.706574 0.5 259 63.546 0.00159717 -5.76851 63.546000 Cu 0.592976 0.689226 5.31678e-17 204 63.546 0.00384583 -5.76895 63.546000 Cu 0.628657 0.704814 0.5 210 63.546 0.00542054 -5.76959 63.546000 Cu 0.659503 0.687139 6.90628e-17 207 63.546 0.00712802 -5.76923 63.546000 Cu 0.725923 0.684137 4.09835e-18 154 63.546 0.00280243 -5.76806 63.546000 Cu 0.695098 0.702262 0.5 209 63.546 0.00515997 -5.76905 63.546000 Cu 0.730623 0.717218 5.31678e-17 211 63.546 0.00127512 -5.76876 63.546000 Cu 0.792083 0.680643 1 157 63.546 0.00382821 -5.76839 63.546000 Cu 0.796848 0.713907 1.5618e-17 158 63.546 0.00271956 -5.76912 63.546000 Cu 0.761381 0.69895 0.5 160 63.546 0.000493626 -5.76841 63.546000 Cu 0.827522 0.695771 0.5 159 63.546 0.00645348 -5.76923 63.546000 Cu 0.893705 0.69345 0.5 118 63.546 0.00511301 -5.76881 63.546000 Cu 0.86306 0.711148 1 161 63.546 0.00688164 -5.76955 63.546000 Cu 0.99577 0.707906 9.58129e-18 119 63.546 5.37703e-05 -5.76772 63.546000 Cu 0.929361 0.709272 5.31678e-17 116 63.546 0.00227158 -5.76843 63.546000 Cu 0.960013 0.691905 0.5 117 63.546 0.000816099 -5.7677 63.546000 Cu 0.000756181 0.741187 2.86552e-16 120 63.546 3.49988e-05 -5.76801 63.546000 Cu 0.0314906 0.723893 0.5 121 63.546 0.000468174 -5.76814 63.546000 Cu 0.0671439 0.739812 1.04785e-16 123 63.546 0.00198335 -5.76872 63.546000 Cu 0.0363936 0.757169 0.5 126 63.546 0.000598035 -5.76827 63.546000 Cu 0.16426 0.720173 0.5 87 63.546 0.00491561 -5.7697 63.546000 Cu 0.133487 0.737955 9.02745e-17 86 63.546 0.0049589 -5.76976 63.546000 Cu 0.0978792 0.722366 0.5 88 63.546 0.00388042 -5.76929 63.546000 Cu 0.102762 0.755603 0.5 125 63.546 0.00434026 -5.76933 63.546000 Cu 0.199831 0.73534 1 89 63.546 0.00333601 -5.76935 63.546000 Cu 0.169058 0.75333 0.5 91 63.546 0.00462683 -5.7697 63.546000 Cu 0.235368 0.750326 0.5 380 63.546 0.00062812 -5.7688 63.546000 Cu 0.266146 0.732113 5.41647e-17 343 63.546 0.000284137 -5.76882 63.546000 Cu 0.30166 0.747072 0.5 348 63.546 0.00290165 -5.76919 63.546000 Cu 0.332392 0.72904 3.26761e-18 345 63.546 0.00546821 -5.76966 63.546000 Cu 0.398692 0.726767 1.48482e-16 304 63.546 0.00410507 -5.76922 63.546000 Cu 0.367976 0.744385 0.5 347 63.546 0.00660384 -5.76971 63.546000 Cu 0.465076 0.725199 5.53832e-20 307 63.546 0.000612203 -5.76809 63.546000 Cu 0.470002 0.758464 2.09238e-16 308 63.546 0.000555772 -5.76823 63.546000 Cu 0.434347 0.742546 0.5 310 63.546 0.00206977 -5.76872 63.546000 Cu 0.531491 0.723893 4.09281e-17 258 63.546 0.000468174 -5.76814 63.546000 Cu 0.567144 0.739812 0.5 264 63.546 0.00198335 -5.76872 63.546000 Cu 0.500756 0.741187 0.5 309 63.546 3.49988e-05 -5.76801 63.546000 Cu 0.536394 0.757169 5.53832e-18 311 63.546 0.000598035 -5.76827 63.546000 Cu 0.66426 0.720173 1.24612e-17 208 63.546 0.00491561 -5.7697 63.546000 Cu 0.597879 0.722366 1 261 63.546 0.00388042 -5.76929 63.546000 Cu 0.602762 0.755603 1 262 63.546 0.00434026 -5.76933 63.546000 Cu 0.633487 0.737955 0.5 263 63.546 0.0049589 -5.76976 63.546000 Cu 0.735368 0.750326 1 212 63.546 0.00062812 -5.7688 63.546000 Cu 0.699831 0.73534 0.5 214 63.546 0.00333601 -5.76935 63.546000 Cu 0.669058 0.75333 5.31678e-17 265 63.546 0.00462683 -5.7697 63.546000 Cu 0.766146 0.732113 0.5 213 63.546 0.000284137 -5.76882 63.546000 Cu 0.80166 0.747072 4.2645e-18 215 63.546 0.00290165 -5.76919 63.546000 Cu 0.832392 0.72904 0.5 164 63.546 0.00546821 -5.76966 63.546000 Cu 0.867976 0.744385 7.2995e-17 162 63.546 0.00660384 -5.76971 63.546000 Cu 0.898692 0.726767 0.5 163 63.546 0.00410507 -5.76922 63.546000 Cu 0.965076 0.725199 0.5 122 63.546 0.000612203 -5.76809 63.546000 Cu 0.934347 0.742546 5.08417e-17 165 63.546 0.00206977 -5.76872 63.546000 Cu 0.970002 0.758464 0.5 167 63.546 0.000555772 -5.76823 63.546000 Cu 0.00563395 0.77447 1.49535e-18 169 63.546 7.9915e-05 -5.76795 63.546000 Cu 0.0412845 0.790474 0.5 171 63.546 0.000910104 -5.76794 63.546000 Cu 0.0720065 0.773102 1.15972e-16 124 63.546 0.00240324 -5.76863 63.546000 Cu 0.138336 0.771205 3.32853e-17 127 63.546 0.00560473 -5.76958 63.546000 Cu 0.107625 0.788917 0.5 130 63.546 0.00483922 -5.76896 63.546000 Cu 0.204567 0.768498 1.46488e-16 90 63.546 0.00299451 -5.76912 63.546000 Cu 0.173848 0.786607 0.5 129 63.546 0.00614173 -5.76922 63.546000 Cu 0.239993 0.783468 0.5 384 63.546 0.000717544 -5.76833 63.546000 Cu 0.270832 0.765218 5.31678e-17 381 63.546 0.000641602 -5.76853 63.546000 Cu 0.275424 0.798275 1 382 63.546 0.00225349 -5.76785 63.546000 Cu 0.306306 0.78014 0.5 383 63.546 0.00465604 -5.76883 63.546000 Cu 0.337187 0.762188 2.21422e-16 346 63.546 0.00616666 -5.76959 63.546000 Cu 0.372759 0.77754 0.5 352 63.546 0.00623406 -5.7696 63.546000 Cu 0.341887 0.795221 7.06135e-17 385 63.546 0.00826284 -5.76913 63.546000 Cu 0.403594 0.760002 0 349 63.546 0.00351353 -5.76934 63.546000 Cu 0.4084 0.793138 1.52858e-17 350 63.546 0.00371828 -5.76905 63.546000 Cu 0.439229 0.775788 0.5 351 63.546 0.00163772 -5.76869 63.546000 Cu 0.474878 0.791708 4.47496e-17 353 63.546 0.000478163 -5.76797 63.546000 Cu 0.541284 0.790474 0 312 63.546 0.000910104 -5.76794 63.546000 Cu 0.505634 0.77447 0.5 314 63.546 7.9915e-05 -5.76795 63.546000 Cu 0.572007 0.773102 0.5 313 63.546 0.00240324 -5.76863 63.546000 Cu 0.638336 0.771205 0.5 268 63.546 0.00560473 -5.76958 63.546000 Cu 0.607625 0.788917 1.0617e-16 315 63.546 0.00483922 -5.76896 63.546000 Cu 0.673848 0.786607 3.95436e-17 266 63.546 0.00614173 -5.76922 63.546000 Cu 0.704567 0.768498 0.5 267 63.546 0.00299451 -5.76912 63.546000 Cu 0.739993 0.783468 5.31678e-17 269 63.546 0.000717544 -5.76833 63.546000 Cu 0.806306 0.78014 7.93641e-17 216 63.546 0.00465604 -5.76883 63.546000 Cu 0.770832 0.765218 0.5 218 63.546 0.000641602 -5.76853 63.546000 Cu 0.775424 0.798275 0.5 271 63.546 0.00225349 -5.76785 63.546000 Cu 0.837187 0.762188 0.5 217 63.546 0.00616666 -5.76959 63.546000 Cu 0.872759 0.77754 0 219 63.546 0.00623406 -5.7696 63.546000 Cu 0.841887 0.795221 0.5 222 63.546 0.00826284 -5.76913 63.546000 Cu 0.903594 0.760002 0.5 168 63.546 0.00351353 -5.76934 63.546000 Cu 0.9084 0.793138 0.5 221 63.546 0.00371828 -5.76905 63.546000 Cu 0.939229 0.775788 1.66149e-19 166 63.546 0.00163772 -5.76869 63.546000 Cu 0.974878 0.791708 0.5 172 63.546 0.000478163 -5.76797 63.546000 Cu 0.0105601 0.807741 8.6287e-17 170 63.546 0.000202005 -5.7675 63.546000 Cu 0.0462532 0.823817 0.5 176 63.546 0.00119409 -5.76735 63.546000 Cu 0.0769351 0.806459 1.46212e-16 173 63.546 0.00310374 -5.76808 63.546000 Cu 0.0818816 0.839901 5.53832e-20 174 63.546 0.00399831 -5.76711 63.546000 Cu 0.143164 0.804582 1 128 63.546 0.00782145 -5.76888 63.546000 Cu 0.112534 0.822365 0.5 175 63.546 0.00706417 -5.76806 63.546000 Cu 0.147988 0.838109 8.94992e-17 177 63.546 0.0123131 -5.76737 63.546000 Cu 0.209229 0.80175 1 131 63.546 0.00385816 -5.7684 63.546000 Cu 0.213889 0.835122 5.53832e-20 132 63.546 0.00716181 -5.76665 63.546000 Cu 0.178591 0.820017 0.5 133 63.546 0.00932294 -5.76811 63.546000 Cu 0.244586 0.816654 0.5 412 63.546 0.00183046 -5.76726 63.546000 Cu 0.310942 0.813103 0.5 388 63.546 0.00907592 -5.76784 63.546000 Cu 0.280022 0.831271 1 413 63.546 0.00667124 -5.76597 63.546000 Cu 0.346569 0.828114 1.60999e-16 386 63.546 0.0129037 -5.76803 63.546000 Cu 0.377514 0.810569 0.5 387 63.546 0.00699526 -5.76899 63.546000 Cu 0.413218 0.826177 5.53832e-20 389 63.546 0.00420619 -5.76834 63.546000 Cu 0.479809 0.824922 5.31678e-17 354 63.546 0.000512477 -5.76734 63.546000 Cu 0.44408 0.808942 0.5 356 63.546 0.00175543 -5.7682 63.546000 Cu 0.51056 0.807741 0.5 355 63.546 0.000202005 -5.7675 63.546000 Cu 0.546253 0.823817 1 357 63.546 0.00119409 -5.76735 63.546000 Cu 0.576935 0.806459 0.5 318 63.546 0.00310374 -5.76808 63.546000 Cu 0.581882 0.839901 0.5 359 63.546 0.00399831 -5.76711 63.546000 Cu 0.612534 0.822365 1 316 63.546 0.00706417 -5.76806 63.546000 Cu 0.643164 0.804582 0.5 317 63.546 0.00782145 -5.76888 63.546000 Cu 0.647988 0.838109 0.5 322 63.546 0.0123131 -5.76737 63.546000 Cu 0.709229 0.80175 0.5 272 63.546 0.00385816 -5.7684 63.546000 Cu 0.678591 0.820017 1 319 63.546 0.00932294 -5.76811 63.546000 Cu 0.713889 0.835122 0.5 321 63.546 0.00716181 -5.76665 63.546000 Cu 0.744586 0.816654 2.02259e-16 270 63.546 0.00183046 -5.76726 63.546000 Cu 0.810942 0.813103 5.31678e-17 273 63.546 0.00907592 -5.76784 63.546000 Cu 0.780022 0.831271 0.5 276 63.546 0.00667124 -5.76597 63.546000 Cu 0.877514 0.810569 5.73216e-17 220 63.546 0.00699526 -5.76899 63.546000 Cu 0.846569 0.828114 0.5 275 63.546 0.0129037 -5.76803 63.546000 Cu 0.913218 0.826177 0.5 226 63.546 0.00420619 -5.76834 63.546000 Cu 0.94408 0.808942 1 223 63.546 0.00175543 -5.7682 63.546000 Cu 0.979809 0.824922 0.5 225 63.546 0.000512477 -5.76734 63.546000 Cu 0.0155304 0.841034 9.65328e-17 227 63.546 0.000434228 -5.76683 63.546000 Cu 0.0204879 0.874334 1.7058e-17 228 63.546 0.00084264 -5.76596 63.546000 Cu 0.0512282 0.857207 0.5 229 63.546 0.00157183 -5.76633 63.546000 Cu 0.152796 0.871849 5.31678e-17 178 63.546 0.0219673 -5.76424 63.546000 Cu 0.117404 0.855938 0.5 180 63.546 0.0101054 -5.76632 63.546000 Cu 0.0868176 0.873447 1.10766e-19 231 63.546 0.00514854 -5.76542 63.546000 Cu 0.183276 0.853593 0.5 179 63.546 0.0165103 -5.76565 63.546000 Cu 0.218488 0.86867 5.77646e-17 181 63.546 0.0189636 -5.76211 63.546000 Cu 0.249151 0.849882 0.5 416 63.546 0.00589677 -5.76408 63.546000 Cu 0.284503 0.8641 0 414 63.546 0.0251683 -5.75979 63.546000 Cu 0.315606 0.845898 0.5 415 63.546 0.0210474 -5.76542 63.546000 Cu 0.320099 0.87849 0.5 420 63.546 0.0510447 -5.76017 63.546000 Cu 0.382322 0.843459 0.5 392 63.546 0.00932572 -5.76787 63.546000 Cu 0.351303 0.860855 3.02392e-17 417 63.546 0.0207968 -5.76594 63.546000 Cu 0.387081 0.876263 0.5 419 63.546 0.0105924 -5.76611 63.546000 Cu 0.418126 0.859167 1 390 63.546 0.00410571 -5.76727 63.546000 Cu 0.44898 0.842039 0.5 391 63.546 0.00197285 -5.76735 63.546000 Cu 0.484774 0.858133 3.71067e-17 393 63.546 0.000559279 -5.76649 63.546000 Cu 0.453911 0.875122 0.5 396 63.546 0.00184339 -5.76638 63.546000 Cu 0.551228 0.857207 1.31923e-16 358 63.546 0.00157183 -5.76633 63.546000 Cu 0.51553 0.841034 0.5 360 63.546 0.000434228 -5.76683 63.546000 Cu 0.520488 0.874334 0.5 395 63.546 0.00084264 -5.76596 63.546000 Cu 0.617404 0.855938 3.24545e-17 361 63.546 0.0101054 -5.76632 63.546000 Cu 0.652796 0.871849 0.5 363 63.546 0.0219673 -5.76424 63.546000 Cu 0.586818 0.873447 0.5 364 63.546 0.00514854 -5.76542 63.546000 Cu 0.683276 0.853593 5.53832e-20 320 63.546 0.0165103 -5.76565 63.546000 Cu 0.718488 0.86867 0.5 326 63.546 0.0189636 -5.76211 63.546000 Cu 0.749151 0.849882 1 323 63.546 0.00589677 -5.76408 63.546000 Cu 0.815606 0.845898 6.81213e-18 274 63.546 0.0210474 -5.76542 63.546000 Cu 0.784503 0.8641 0.5 325 63.546 0.0251683 -5.75979 63.546000 Cu 0.820099 0.87849 1.24003e-16 327 63.546 0.0510447 -5.76017 63.546000 Cu 0.882322 0.843459 5.31678e-17 277 63.546 0.00932572 -5.76787 63.546000 Cu 0.887081 0.876263 0 278 63.546 0.0105924 -5.76611 63.546000 Cu 0.851303 0.860855 0.5 280 63.546 0.0207968 -5.76594 63.546000 Cu 0.94898 0.842039 9.17145e-17 224 63.546 0.00197285 -5.76735 63.546000 Cu 0.984774 0.858133 0.5 230 63.546 0.000559279 -5.76649 63.546000 Cu 0.918126 0.859167 0.5 279 63.546 0.00410571 -5.76727 63.546000 Cu 0.953911 0.875122 4.28112e-17 281 63.546 0.00184339 -5.76638 63.546000 Cu 0.0561073 0.890664 0.5 234 63.546 0.00177573 -5.76478 63.546000 Cu 0.0253241 0.907676 1.09326e-16 285 63.546 0.00143501 -5.7647 63.546000 Cu 0.0917268 0.907122 5.17832e-17 232 63.546 0.00609517 -5.76301 63.546000 Cu 0.122287 0.889696 0.5 233 63.546 0.0149384 -5.76303 63.546000 Cu 0.157613 0.905876 5.31678e-17 235 63.546 0.0402375 -5.75678 63.546000 Cu 0.222887 0.902512 4.41404e-17 182 63.546 0.0611359 -5.74788 63.546000 Cu 0.187952 0.887442 0.5 183 63.546 0.0354087 -5.75927 63.546000 Cu 0.253493 0.883177 0.5 434 63.546 0.020526 -5.7543 63.546000 Cu 0.28873 0.896642 1 435 63.546 0.109916 -5.74013 63.546000 Cu 0.257412 0.916669 0.5 438 63.546 0.0920923 -5.72639 63.546000 Cu 0.324423 0.91079 0.5 437 63.546 0.129204 -5.7481 63.546000 Cu 0.355899 0.893429 1 418 63.546 0.0294199 -5.76204 63.546000 Cu 0.391844 0.90893 0.5 424 63.546 0.0121374 -5.76278 63.546000 Cu 0.422924 0.892061 5.53832e-20 421 63.546 0.00412317 -5.7656 63.546000 Cu 0.458711 0.908156 0.5 423 63.546 0.00218543 -5.76502 63.546000 Cu 0.489643 0.891306 1 394 63.546 0.000969539 -5.76551 63.546000 Cu 0.556107 0.890664 1 397 63.546 0.00177573 -5.76478 63.546000 Cu 0.525324 0.907676 0.5 400 63.546 0.00143501 -5.7647 63.546000 Cu 0.622287 0.889696 2.13225e-17 362 63.546 0.0149384 -5.76303 63.546000 Cu 0.591727 0.907122 0.5 399 63.546 0.00609517 -5.76301 63.546000 Cu 0.657613 0.905876 0.5 368 63.546 0.0402375 -5.75678 63.546000 Cu 0.687952 0.887442 4.8571e-17 365 63.546 0.0354087 -5.75927 63.546000 Cu 0.722887 0.902512 0.5 367 63.546 0.0611359 -5.74788 63.546000 Cu 0.753493 0.883177 5.31678e-17 324 63.546 0.020526 -5.7543 63.546000 Cu 0.78873 0.896642 0.5 330 63.546 0.109916 -5.74013 63.546000 Cu 0.757412 0.916669 1 369 63.546 0.0920923 -5.72639 63.546000 Cu 0.824423 0.91079 1 328 63.546 0.129204 -5.7481 63.546000 Cu 0.855899 0.893429 0.5 329 63.546 0.0294199 -5.76204 63.546000 Cu 0.891844 0.90893 2.21533e-19 331 63.546 0.0121374 -5.76278 63.546000 Cu 0.989643 0.891306 0.5 283 63.546 0.000969539 -5.76551 63.546000 Cu 0.958711 0.908156 1 282 63.546 0.00218543 -5.76502 63.546000 Cu 0.922924 0.892061 0.5 284 63.546 0.00412317 -5.7656 63.546000 Cu 0.0296913 0.941056 9.07176e-17 286 63.546 0.0102117 -5.76563 63.546000 Cu 0.0608768 0.924209 0.5 287 63.546 0.00333008 -5.76398 63.546000 Cu 0.0646747 0.95774 0.5 292 63.546 0.0340282 -5.76643 63.546000 Cu 0.127221 0.923694 0.5 238 63.546 0.0229023 -5.75843 63.546000 Cu 0.0963261 0.940839 1.11929e-16 289 63.546 0.0106625 -5.76314 63.546000 Cu 0.131617 0.957636 0.5 291 63.546 0.0458364 -5.76013 63.546000 Cu 0.162812 0.940395 1 236 63.546 0.0977789 -5.74713 63.546000 Cu 0.192672 0.921779 0.5 237 63.546 0.0946386 -5.73889 63.546000 Cu 0.227571 0.937119 1 239 63.546 0.364894 -5.67171 63.546000 Cu 0.198638 0.957281 0.5 241 63.546 0.596781 -5.69276 63.546000 Cu 0.292837 0.928665 1.26938e-16 436 63.546 0.482392 -5.68045 63.546000 Cu 0.262223 0.950041 0.5 448 63.546 6.39082 -5.4791 63.546000 Cu 0.329601 0.942632 0.5 442 63.546 0.316543 -5.72649 63.546000 Cu 0.299875 0.959534 1 449 63.546 6.47918 -5.49215 63.546000 Cu 0.360711 0.925753 1.42889e-17 439 63.546 0.0415106 -5.75608 63.546000 Cu 0.396557 0.941542 0.5 441 63.546 0.0212628 -5.76139 63.546000 Cu 0.365593 0.958059 1 440 63.546 0.0939398 -5.7547 63.546000 Cu 0.427704 0.92492 1 422 63.546 0.00563197 -5.76416 63.546000 Cu 0.463119 0.94125 0.5 428 63.546 0.0110088 -5.76588 63.546000 Cu 0.494364 0.924519 1 425 63.546 0.00344698 -5.7651 63.546000 Cu 0.497987 0.957788 1.14643e-17 426 63.546 0.0313434 -5.76782 63.546000 Cu 0.431578 0.957895 9.85266e-17 443 63.546 0.0380341 -5.76634 63.546000 Cu 0.560877 0.924209 1.52304e-17 398 63.546 0.00333008 -5.76398 63.546000 Cu 0.529691 0.941056 0.5 427 63.546 0.0102117 -5.76563 63.546000 Cu 0.564675 0.95774 0 429 63.546 0.0340282 -5.76643 63.546000 Cu 0.627221 0.923694 1 401 63.546 0.0229023 -5.75843 63.546000 Cu 0.631617 0.957636 1 402 63.546 0.0458364 -5.76013 63.546000 Cu 0.596326 0.940839 0.5 404 63.546 0.0106625 -5.76314 63.546000 Cu 0.662812 0.940395 0.5 403 63.546 0.0977789 -5.74713 63.546000 Cu 0.692672 0.921779 5.31678e-17 366 63.546 0.0946386 -5.73889 63.546000 Cu 0.727571 0.937119 0.5 372 63.546 0.364894 -5.67171 63.546000 Cu 0.698638 0.957281 5.31678e-17 405 63.546 0.596781 -5.69276 63.546000 Cu 0.762223 0.950041 0 370 63.546 6.39082 -5.4791 63.546000 Cu 0.792837 0.928665 0.5 371 63.546 0.482392 -5.68045 63.546000 Cu 0.829601 0.942632 1 373 63.546 0.316543 -5.72649 63.546000 Cu 0.799875 0.959534 0.5 376 63.546 6.47918 -5.49215 63.546000 Cu 0.896557 0.941542 1.46101e-16 332 63.546 0.0212628 -5.76139 63.546000 Cu 0.860711 0.925753 0.5 334 63.546 0.0415106 -5.75608 63.546000 Cu 0.865593 0.958059 0.5 375 63.546 0.0939398 -5.7547 63.546000 Cu 0.994364 0.924519 0.5 288 63.546 0.00344698 -5.7651 63.546000 Cu 0.997987 0.957788 0.5 337 63.546 0.0313434 -5.76782 63.546000 Cu 0.927704 0.92492 0.5 333 63.546 0.00563197 -5.76416 63.546000 Cu 0.963119 0.94125 1.65873e-16 335 63.546 0.0110088 -5.76588 63.546000 Cu 0.931578 0.957895 0.5 338 63.546 0.0380341 -5.76634 63.546000 Cu 0.0318592 0.974428 7.59857e-17 339 63.546 0.0444617 -5.76843 63.546000 Cu 0.064552 0.991166 0.5 340 63.546 0.0315199 -5.76648 63.546000 Cu 0.0989257 0.974467 8.3407e-17 290 63.546 0.0703939 -5.764 63.546000 Cu 0.13153 0.991353 0.5 295 63.546 0.0457167 -5.7599 63.546000 Cu 0.237114 0.974473 1 240 63.546 6.00878 -5.48955 63.546000 Cu 0.166763 0.974501 1 293 63.546 0.207374 -5.73879 63.546000 Cu 0.198516 0.991736 0.5 294 63.546 0.583126 -5.69161 63.546000 Cu 0.262122 0.998916 0.5 512 63.546 6.40026 -5.47935 63.546000 Cu 0.299735 0.989451 5.31678e-17 450 63.546 8.29441 -5.49225 63.546000 Cu 0.398993 0.974439 0.5 446 63.546 0.0530183 -5.76251 63.546000 Cu 0.334025 0.974459 0.5 451 63.546 4.47237 -5.61637 63.546000 Cu 0.365487 0.990827 5.53832e-20 453 63.546 0.0904103 -5.75424 63.546000 Cu 0.431489 0.990947 1.87694e-16 444 63.546 0.037896 -5.76601 63.546000 Cu 0.465264 0.974412 0.5 445 63.546 0.0427568 -5.76871 63.546000 Cu 0.497899 0.991066 5.31678e-17 447 63.546 0.0310035 -5.76773 63.546000 Cu 0.564552 0.991166 2.27625e-17 430 63.546 0.0315199 -5.76648 63.546000 Cu 0.531859 0.974428 0.5 432 63.546 0.0444617 -5.76843 63.546000 Cu 0.598926 0.974467 0.5 431 63.546 0.0703939 -5.764 63.546000 Cu 0.63153 0.991353 2.65839e-17 433 63.546 0.0457167 -5.7599 63.546000 Cu 0.698516 0.991736 0 406 63.546 0.583126 -5.69161 63.546000 Cu 0.737114 0.974473 0.5 407 63.546 6.00878 -5.48955 63.546000 Cu 0.666763 0.974501 0.5 408 63.546 0.207374 -5.73879 63.546000 Cu 0.762122 0.998916 5.53832e-20 455 63.546 6.40026 -5.47935 63.546000 Cu 0.799735 0.989451 0.5 410 63.546 8.29441 -5.49225 63.546000 Cu 0.834025 0.974459 4.00974e-17 374 63.546 4.47237 -5.61637 63.546000 Cu 0.898993 0.974439 3.64975e-17 377 63.546 0.0530183 -5.76251 63.546000 Cu 0.865487 0.990827 0.5 379 63.546 0.0904103 -5.75424 63.546000 Cu 0.997899 0.991066 0.5 341 63.546 0.0310035 -5.76773 63.546000 Cu 0.965264 0.974412 1 336 63.546 0.0427568 -5.76871 63.546000 Cu 0.931489 0.990947 0.5 378 63.546 0.037896 -5.76601