Number of particles = 840 A = 1 Angstrom (basic length-scale) H0(1,1) = 26.2542 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 105.278 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60733 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 0.0171178 0.0125275 1.98967e-16 440 63.546 2.37422 -3.45316 63.546000 Cu 0.103876 0.0242836 1.54726e-16 441 63.546 0.392126 -3.4814 63.546000 Cu 0.0832504 0.00867418 0.5 442 63.546 8.96965 -3.35723 63.546000 Cu 0.0373012 0.0294947 0.5 443 63.546 0.0132926 -3.50999 63.546000 Cu 0.122148 0.041147 0.5 463 63.546 0.0316917 -3.52764 63.546000 Cu 0.229037 0.0154775 1.65425e-16 445 63.546 0.774951 -3.46464 63.546000 Cu 0.166901 0.0188666 0.5 447 63.546 0.499282 -3.45726 63.546000 Cu 0.300726 0.0120935 0.5 449 63.546 2.79353 -3.43683 63.546000 Cu 0.186439 0.0368689 1.0315e-16 465 63.546 0.0394893 -3.50692 63.546000 Cu 0.25044 0.03235 0.5 467 63.546 0.0815906 -3.51509 63.546000 Cu 0.316865 0.0282189 1.5713e-16 469 63.546 0.117859 -3.51475 63.546000 Cu 0.368586 0.00859015 3.15943e-16 448 63.546 9.15728 -3.33667 63.546000 Cu 0.404692 0.0395216 1.0844e-16 470 63.546 0.0093946 -3.5342 63.546000 Cu 0.387176 0.023536 0.5 471 63.546 0.452882 -3.47063 63.546000 Cu 0.452475 0.01812 4.88101e-17 473 63.546 0.487615 -3.4504 63.546000 Cu 0.472103 0.0346259 0.5 476 63.546 0.0284615 -3.50593 63.546000 Cu 0.537301 0.0294947 1.8394e-16 474 63.546 0.0132926 -3.50999 63.546000 Cu 0.517118 0.0125275 0.5 475 63.546 2.37422 -3.45316 63.546000 Cu 0.58325 0.00867418 0 477 63.546 8.96965 -3.35723 63.546000 Cu 0.603876 0.0242836 0.5 480 63.546 0.392126 -3.4814 63.546000 Cu 0.622148 0.041147 1 508 63.546 0.0316917 -3.52764 63.546000 Cu 0.800726 0.0120935 7.45376e-17 428 63.546 2.79353 -3.43683 63.546000 Cu 0.729037 0.0154775 0.5 429 63.546 0.774951 -3.46464 63.546000 Cu 0.75044 0.03235 1 432 63.546 0.0815906 -3.51509 63.546000 Cu 0.816865 0.0282189 0.5 434 63.546 0.117859 -3.51475 63.546000 Cu 0.666901 0.0188666 1 478 63.546 0.499282 -3.45726 63.546000 Cu 0.686439 0.0368689 0.5 510 63.546 0.0394893 -3.50692 63.546000 Cu 0.868586 0.00859015 0.5 431 63.546 9.15728 -3.33667 63.546000 Cu 0.887176 0.023536 0 436 63.546 0.452882 -3.47063 63.546000 Cu 0.972103 0.0346259 0 437 63.546 0.0284615 -3.50593 63.546000 Cu 0.952475 0.01812 0.5 438 63.546 0.487615 -3.4504 63.546000 Cu 0.904692 0.0395216 0.5 439 63.546 0.0093946 -3.5342 63.546000 Cu 0.00914006 0.0675187 0 458 63.546 0.00300863 -3.54298 63.546000 Cu 0.0569085 0.0460889 8.05487e-18 461 63.546 0.0122395 -3.53245 63.546000 Cu 0.140551 0.0582193 1 462 63.546 0.00389188 -3.53555 63.546000 Cu 0.0752059 0.0627711 0.5 464 63.546 0.00511338 -3.54058 63.546000 Cu 0.0936309 0.0795328 1 492 63.546 0.000746622 -3.53951 63.546000 Cu 0.159345 0.0749873 0.5 494 63.546 0.00295256 -3.53503 63.546000 Cu 0.27105 0.0491406 2.24094e-16 466 63.546 0.0126828 -3.53304 63.546000 Cu 0.205767 0.0537765 0.5 468 63.546 0.0145209 -3.52684 63.546000 Cu 0.225115 0.0703777 2.09667e-16 496 63.546 0.0044548 -3.53367 63.546000 Cu 0.310642 0.0820555 1.65425e-16 497 63.546 0.00028494 -3.53891 63.546000 Cu 0.291095 0.0656127 0.5 498 63.546 0.00174914 -3.53546 63.546000 Cu 0.337244 0.0443341 0.5 472 63.546 0.0189265 -3.53887 63.546000 Cu 0.357205 0.060711 9.26912e-17 500 63.546 0.00168926 -3.54376 63.546000 Cu 0.442899 0.0723356 0 501 63.546 0.00153279 -3.54335 63.546000 Cu 0.423657 0.0558466 0.5 502 63.546 0.00369376 -3.54394 63.546000 Cu 0.376764 0.0771917 0.5 503 63.546 0.000549844 -3.54102 63.546000 Cu 0.490517 0.0510298 9.89427e-17 504 63.546 0.00341695 -3.53713 63.546000 Cu 0.575206 0.0627711 1 505 63.546 0.00511338 -3.54058 63.546000 Cu 0.556908 0.0460889 0.5 506 63.546 0.0122395 -3.53245 63.546000 Cu 0.50914 0.0675187 0.5 507 63.546 0.00300863 -3.54298 63.546000 Cu 0.640551 0.0582193 0.5 511 63.546 0.00389188 -3.53555 63.546000 Cu 0.593631 0.0795328 0.5 538 63.546 0.000746622 -3.53951 63.546000 Cu 0.659345 0.0749873 1 540 63.546 0.00295256 -3.53503 63.546000 Cu 0.77105 0.0491406 0.5 435 63.546 0.0126828 -3.53304 63.546000 Cu 0.725115 0.0703777 0.5 452 63.546 0.0044548 -3.53367 63.546000 Cu 0.791095 0.0656127 1 453 63.546 0.00174914 -3.53546 63.546000 Cu 0.810642 0.0820555 0.5 456 63.546 0.00028494 -3.53891 63.546000 Cu 0.705767 0.0537765 1.59775e-16 509 63.546 0.0145209 -3.52684 63.546000 Cu 0.837244 0.0443341 1 433 63.546 0.0189265 -3.53887 63.546000 Cu 0.876764 0.0771917 2.60641e-16 454 63.546 0.000549844 -3.54102 63.546000 Cu 0.857205 0.060711 0.5 455 63.546 0.00168926 -3.54376 63.546000 Cu 0.923657 0.0558466 1 457 63.546 0.00369376 -3.54394 63.546000 Cu 0.990517 0.0510298 0.5 459 63.546 0.00341695 -3.53713 63.546000 Cu 0.942899 0.0723356 0.5 460 63.546 0.00153279 -3.54335 63.546000 Cu 0.0467886 0.100846 1.17818e-16 489 63.546 0.000233488 -3.53992 63.546000 Cu 0.0278999 0.0841656 0.5 490 63.546 0.00110743 -3.54189 63.546000 Cu 0.112553 0.0962118 0.5 495 63.546 0.00067108 -3.53849 63.546000 Cu 4.649e-06 0.122186 1.64945e-16 520 63.546 9.04185e-05 -3.53987 63.546000 Cu 0.0658312 0.1175 0.5 522 63.546 0.000190473 -3.53918 63.546000 Cu 0.131699 0.11282 3.1426e-16 524 63.546 0.000478776 -3.53886 63.546000 Cu 0.178437 0.0915802 1.48594e-16 493 63.546 0.00144229 -3.53749 63.546000 Cu 0.244509 0.0868698 0.5 499 63.546 0.000803593 -3.53771 63.546000 Cu 0.197717 0.108111 0.5 526 63.546 0.000338638 -3.53924 63.546000 Cu 0.263814 0.103346 7.79039e-17 528 63.546 9.11901e-05 -3.53992 63.546000 Cu 0.283059 0.119868 0.5 531 63.546 0.000104591 -3.54067 63.546000 Cu 0.32995 0.0985493 0.5 530 63.546 0.000230799 -3.54051 63.546000 Cu 0.216924 0.124634 4.65259e-17 525 63.546 5.9182e-05 -3.54 63.546000 Cu 0.349098 0.115087 1 529 63.546 0.000204198 -3.54095 63.546000 Cu 0.396034 0.0937313 1.60256e-16 532 63.546 0.000473267 -3.54108 63.546000 Cu 0.481016 0.105558 4.85697e-17 533 63.546 0.00022513 -3.54062 63.546000 Cu 0.462026 0.0889162 0.5 534 63.546 0.000892315 -3.5419 63.546000 Cu 0.415134 0.110309 0.5 535 63.546 0.000338102 -3.54103 63.546000 Cu 0.5279 0.0841656 1 536 63.546 0.00110743 -3.54189 63.546000 Cu 0.612553 0.0962118 1 537 63.546 0.00067108 -3.53849 63.546000 Cu 0.546789 0.100846 0.5 539 63.546 0.000233488 -3.53992 63.546000 Cu 0.500005 0.122186 0.5 565 63.546 9.04185e-05 -3.53987 63.546000 Cu 0.565831 0.1175 5.74661e-16 567 63.546 0.000190473 -3.53918 63.546000 Cu 0.631699 0.11282 0.5 569 63.546 0.000478776 -3.53886 63.546000 Cu 0.744509 0.0868698 1 451 63.546 0.000803593 -3.53771 63.546000 Cu 0.783059 0.119868 6.8767e-17 481 63.546 0.000104591 -3.54067 63.546000 Cu 0.763814 0.103346 0.5 482 63.546 9.11901e-05 -3.53992 63.546000 Cu 0.678437 0.0915802 0.5 541 63.546 0.00144229 -3.53749 63.546000 Cu 0.697717 0.108111 2.88413e-16 571 63.546 0.000338638 -3.53924 63.546000 Cu 0.82995 0.0985493 9.52158e-17 484 63.546 0.000230799 -3.54051 63.546000 Cu 0.716924 0.124634 0.5 483 63.546 5.9182e-05 -3.54 63.546000 Cu 0.915134 0.110309 6.49199e-18 485 63.546 0.000338102 -3.54103 63.546000 Cu 0.896034 0.0937313 0.5 486 63.546 0.000473267 -3.54108 63.546000 Cu 0.849098 0.115087 0.5 487 63.546 0.000204198 -3.54095 63.546000 Cu 0.962026 0.0889162 6.43188e-17 488 63.546 0.000892315 -3.5419 63.546000 Cu 0.981016 0.105558 0.5 491 63.546 0.00022513 -3.54062 63.546000 Cu 0.0849573 0.134097 7.81443e-18 521 63.546 0.000134072 -3.53952 63.546000 Cu 0.0190304 0.138808 0.5 523 63.546 5.79754e-05 -3.53976 63.546000 Cu 0.150935 0.12938 0.5 527 63.546 0.000146167 -3.53928 63.546000 Cu 0.0381008 0.155398 1.15173e-16 551 63.546 9.05451e-05 -3.53983 63.546000 Cu 0.104104 0.150673 0.5 553 63.546 0.000123861 -3.53961 63.546000 Cu 0.170087 0.145922 1 555 63.546 2.89139e-05 -3.53968 63.546000 Cu 0.255217 0.157721 0 556 63.546 7.99151e-05 -3.54014 63.546000 Cu 0.236142 0.141169 0.5 557 63.546 5.56132e-05 -3.54016 63.546000 Cu 0.189185 0.162473 0.5 558 63.546 4.15855e-05 -3.53992 63.546000 Cu 0.302167 0.13641 1.27796e-16 559 63.546 9.32586e-05 -3.54046 63.546000 Cu 0.321208 0.15298 0.5 562 63.546 3.77836e-05 -3.54041 63.546000 Cu 0.387211 0.148241 1.20222e-19 560 63.546 5.60318e-05 -3.5401 63.546000 Cu 0.368194 0.131667 0.5 561 63.546 0.000101666 -3.54041 63.546000 Cu 0.434115 0.126924 1.33567e-16 563 63.546 7.46403e-05 -3.54025 63.546000 Cu 0.453142 0.143517 0.5 566 63.546 2.89591e-05 -3.53967 63.546000 Cu 0.406186 0.164834 0.5 592 63.546 3.405e-05 -3.54018 63.546000 Cu 0.472126 0.160111 7.5259e-17 594 63.546 2.50762e-05 -3.53984 63.546000 Cu 0.51903 0.138808 0 564 63.546 5.79754e-05 -3.53976 63.546000 Cu 0.650935 0.12938 1 568 63.546 0.000146167 -3.53928 63.546000 Cu 0.584957 0.134097 0.5 570 63.546 0.000134072 -3.53952 63.546000 Cu 0.538101 0.155398 0.5 596 63.546 9.05451e-05 -3.53983 63.546000 Cu 0.604104 0.150673 2.62084e-16 598 63.546 0.000123861 -3.53961 63.546000 Cu 0.736142 0.141169 5.60234e-17 512 63.546 5.56132e-05 -3.54016 63.546000 Cu 0.821208 0.15298 1.18178e-16 513 63.546 3.77836e-05 -3.54041 63.546000 Cu 0.802167 0.13641 0.5 514 63.546 9.32586e-05 -3.54046 63.546000 Cu 0.755217 0.157721 0.5 515 63.546 7.99151e-05 -3.54014 63.546000 Cu 0.689185 0.162473 1.56529e-16 599 63.546 4.15855e-05 -3.53992 63.546000 Cu 0.670087 0.145922 0.5 600 63.546 2.89139e-05 -3.53968 63.546000 Cu 0.868194 0.131667 3.54655e-17 516 63.546 0.000101666 -3.54041 63.546000 Cu 0.953142 0.143517 0 517 63.546 2.89591e-05 -3.53967 63.546000 Cu 0.934115 0.126924 0.5 518 63.546 7.46403e-05 -3.54025 63.546000 Cu 0.887211 0.148241 0.5 519 63.546 5.60318e-05 -3.5401 63.546000 Cu 0.906186 0.164834 0 547 63.546 3.405e-05 -3.54018 63.546000 Cu 0.972126 0.160111 0.5 549 63.546 2.50762e-05 -3.53984 63.546000 Cu 0.123143 0.167216 1 552 63.546 3.29084e-05 -3.53968 63.546000 Cu 0.0571173 0.171962 0.5 554 63.546 4.40304e-05 -3.53958 63.546000 Cu 0.0100489 0.193249 0.5 580 63.546 1.48893e-05 -3.53944 63.546000 Cu 0.0760436 0.188513 1 582 63.546 8.51383e-06 -3.53945 63.546000 Cu 0.142092 0.18377 0.5 584 63.546 5.99075e-06 -3.54 63.546000 Cu 0.0949923 0.20506 0.5 585 63.546 9.94079e-06 -3.53984 63.546000 Cu 0.16104 0.200319 0 583 63.546 2.63307e-05 -3.54009 63.546000 Cu 0.208183 0.179023 1.46551e-16 586 63.546 8.5395e-05 -3.53999 63.546000 Cu 0.293101 0.190867 5.12146e-17 587 63.546 2.11836e-05 -3.53994 63.546000 Cu 0.274164 0.174293 0.5 588 63.546 2.51969e-05 -3.54003 63.546000 Cu 0.227053 0.195591 0.5 589 63.546 1.90084e-05 -3.54004 63.546000 Cu 0.31196 0.207443 0.5 620 63.546 2.22789e-05 -3.53958 63.546000 Cu 0.340194 0.169563 5.59032e-17 590 63.546 2.86864e-05 -3.54044 63.546000 Cu 0.425099 0.181417 1 591 63.546 1.9534e-05 -3.53998 63.546000 Cu 0.359077 0.186147 0.5 593 63.546 1.415e-05 -3.54015 63.546000 Cu 0.491077 0.176697 0.5 597 63.546 6.52423e-05 -3.53959 63.546000 Cu 0.377988 0.202722 1.64584e-16 622 63.546 2.37274e-05 -3.53981 63.546000 Cu 0.444017 0.19799 0.5 624 63.546 1.85951e-05 -3.53986 63.546000 Cu 0.557117 0.171962 1 595 63.546 4.40304e-05 -3.53958 63.546000 Cu 0.623143 0.167216 0.5 601 63.546 3.29084e-05 -3.53968 63.546000 Cu 0.510049 0.193249 1.29239e-16 626 63.546 1.48893e-05 -3.53944 63.546000 Cu 0.594992 0.20506 1 627 63.546 9.94079e-06 -3.53984 63.546000 Cu 0.576044 0.188513 0.5 628 63.546 8.51383e-06 -3.53945 63.546000 Cu 0.642092 0.18377 2.52947e-16 630 63.546 5.99075e-06 -3.54 63.546000 Cu 0.66104 0.200319 0.5 632 63.546 2.63307e-05 -3.54009 63.546000 Cu 0.727053 0.195591 1 542 63.546 1.90084e-05 -3.54004 63.546000 Cu 0.774164 0.174293 1.89951e-17 543 63.546 2.51969e-05 -3.54003 63.546000 Cu 0.793101 0.190867 0.5 546 63.546 2.11836e-05 -3.53994 63.546000 Cu 0.81196 0.207443 1.06877e-16 574 63.546 2.22789e-05 -3.53958 63.546000 Cu 0.708183 0.179023 0.5 631 63.546 8.5395e-05 -3.53999 63.546000 Cu 0.859077 0.186147 0 544 63.546 1.415e-05 -3.54015 63.546000 Cu 0.840194 0.169563 0.5 545 63.546 2.86864e-05 -3.54044 63.546000 Cu 0.991077 0.176697 1.20462e-16 548 63.546 6.52423e-05 -3.53959 63.546000 Cu 0.925099 0.181417 0.5 550 63.546 1.9534e-05 -3.53998 63.546000 Cu 0.877988 0.202722 0.5 576 63.546 2.37274e-05 -3.53981 63.546000 Cu 0.944017 0.19799 1.79612e-16 578 63.546 1.85951e-05 -3.53986 63.546000 Cu 0.0289751 0.209807 0 579 63.546 7.21028e-06 -3.53984 63.546000 Cu 0.0668491 0.242915 4.08755e-17 611 63.546 1.21986e-05 -3.53996 63.546000 Cu 0.0479055 0.226356 0.5 612 63.546 9.89448e-06 -3.54022 63.546000 Cu 0.000794416 0.247661 0.5 613 63.546 1.04488e-05 -3.54004 63.546000 Cu 0.113939 0.22162 1 614 63.546 4.66527e-06 -3.54001 63.546000 Cu 0.132872 0.238175 0.5 617 63.546 1.05418e-05 -3.53968 63.546000 Cu 0.198874 0.233448 3.53453e-17 615 63.546 6.02357e-06 -3.53977 63.546000 Cu 0.17996 0.216885 0.5 616 63.546 3.55097e-06 -3.54006 63.546000 Cu 0.245973 0.212158 1 618 63.546 6.51193e-06 -3.53978 63.546000 Cu 0.264905 0.228722 0.5 621 63.546 1.73068e-05 -3.53969 63.546000 Cu 0.283773 0.245293 1 649 63.546 1.40205e-05 -3.54012 63.546000 Cu 0.330889 0.224004 2.05459e-16 619 63.546 2.19041e-06 -3.53945 63.546000 Cu 0.462918 0.214547 6.09525e-17 623 63.546 8.50763e-06 -3.5401 63.546000 Cu 0.396886 0.219282 0.5 625 63.546 1.29741e-05 -3.53976 63.546000 Cu 0.349811 0.24057 0.5 651 63.546 1.15872e-05 -3.53997 63.546000 Cu 0.415794 0.235846 9.46147e-17 653 63.546 3.81223e-05 -3.54003 63.546000 Cu 0.481855 0.231105 0.5 655 63.546 4.07674e-06 -3.54043 63.546000 Cu 0.528975 0.209807 0.5 629 63.546 7.21028e-06 -3.53984 63.546000 Cu 0.500794 0.247661 1 654 63.546 1.04488e-05 -3.54004 63.546000 Cu 0.547905 0.226356 1 657 63.546 9.89448e-06 -3.54022 63.546000 Cu 0.632872 0.238175 8.21116e-17 658 63.546 1.05418e-05 -3.53968 63.546000 Cu 0.613939 0.22162 0.5 659 63.546 4.66527e-06 -3.54001 63.546000 Cu 0.566849 0.242915 0.5 660 63.546 1.21986e-05 -3.53996 63.546000 Cu 0.764905 0.228722 1 572 63.546 1.73068e-05 -3.53969 63.546000 Cu 0.745973 0.212158 0.5 573 63.546 6.51193e-06 -3.53978 63.546000 Cu 0.783773 0.245293 0.5 604 63.546 1.40205e-05 -3.54012 63.546000 Cu 0.67996 0.216885 1.7324e-16 661 63.546 3.55097e-06 -3.54006 63.546000 Cu 0.698874 0.233448 0.5 662 63.546 6.02357e-06 -3.53977 63.546000 Cu 0.830889 0.224004 0.5 577 63.546 2.19041e-06 -3.53945 63.546000 Cu 0.896886 0.219282 5.6865e-17 575 63.546 1.29741e-05 -3.53976 63.546000 Cu 0.962918 0.214547 0.5 581 63.546 8.50763e-06 -3.5401 63.546000 Cu 0.849811 0.24057 1.71316e-16 606 63.546 1.15872e-05 -3.53997 63.546000 Cu 0.915794 0.235846 0.5 608 63.546 3.81223e-05 -3.54003 63.546000 Cu 0.981855 0.231105 6.10728e-17 610 63.546 4.07674e-06 -3.54043 63.546000 Cu 0.0197125 0.264203 1.16375e-16 641 63.546 1.24274e-05 -3.53966 63.546000 Cu 0.104688 0.276017 1.35009e-16 642 63.546 4.49027e-05 -3.5397 63.546000 Cu 0.0857764 0.259462 0.5 643 63.546 3.16214e-05 -3.53959 63.546000 Cu 0.0386608 0.280753 0.5 644 63.546 2.22403e-05 -3.53972 63.546000 Cu 0.15177 0.254734 1 645 63.546 1.87815e-05 -3.5396 63.546000 Cu 0.23667 0.266589 5.28977e-17 646 63.546 1.13503e-05 -3.53995 63.546000 Cu 0.217799 0.250009 0.5 647 63.546 2.57903e-05 -3.53992 63.546000 Cu 0.170685 0.271301 0.5 648 63.546 6.93481e-06 -3.53962 63.546000 Cu 0.302697 0.261869 0.5 652 63.546 1.64574e-05 -3.54026 63.546000 Cu 0.189601 0.287872 0 677 63.546 2.04777e-05 -3.53972 63.546000 Cu 0.255557 0.283161 0.5 679 63.546 3.58399e-05 -3.53969 63.546000 Cu 0.321614 0.278434 2.01252e-16 681 63.546 1.26185e-05 -3.53998 63.546000 Cu 0.368721 0.257142 6.08323e-17 650 63.546 2.68998e-05 -3.54013 63.546000 Cu 0.434757 0.252402 0.5 656 63.546 1.22782e-05 -3.53993 63.546000 Cu 0.406555 0.290252 8.80025e-17 682 63.546 1.47802e-05 -3.53992 63.546000 Cu 0.387641 0.273699 0.5 683 63.546 1.60249e-05 -3.53996 63.546000 Cu 0.453706 0.268951 4.91708e-17 685 63.546 1.24971e-05 -3.53976 63.546000 Cu 0.472615 0.285501 0.5 688 63.546 2.82497e-06 -3.53976 63.546000 Cu 0.538661 0.280753 1.76967e-16 686 63.546 2.22403e-05 -3.53972 63.546000 Cu 0.519712 0.264203 0.5 687 63.546 1.24274e-05 -3.53966 63.546000 Cu 0.585776 0.259462 7.15321e-17 689 63.546 3.16214e-05 -3.53959 63.546000 Cu 0.65177 0.254734 0.5 691 63.546 1.87815e-05 -3.5396 63.546000 Cu 0.604688 0.276017 0.5 692 63.546 4.49027e-05 -3.5397 63.546000 Cu 0.717799 0.250009 3.83508e-17 602 63.546 2.57903e-05 -3.53992 63.546000 Cu 0.802697 0.261869 1 603 63.546 1.64574e-05 -3.54026 63.546000 Cu 0.73667 0.266589 0.5 605 63.546 1.13503e-05 -3.53995 63.546000 Cu 0.755557 0.283161 1 633 63.546 3.58399e-05 -3.53969 63.546000 Cu 0.821614 0.278434 0.5 635 63.546 1.26185e-05 -3.53998 63.546000 Cu 0.670685 0.271301 2.50062e-16 690 63.546 6.93481e-06 -3.53962 63.546000 Cu 0.689601 0.287872 0.5 722 63.546 2.04777e-05 -3.53972 63.546000 Cu 0.934757 0.252402 1.2431e-16 607 63.546 1.22782e-05 -3.53993 63.546000 Cu 0.868721 0.257142 0.5 609 63.546 2.68998e-05 -3.54013 63.546000 Cu 0.887641 0.273699 7.0931e-17 637 63.546 1.60249e-05 -3.53996 63.546000 Cu 0.972615 0.285501 1.89831e-16 638 63.546 2.82497e-06 -3.53976 63.546000 Cu 0.953706 0.268951 0.5 639 63.546 1.24971e-05 -3.53976 63.546000 Cu 0.906555 0.290252 0.5 640 63.546 1.47802e-05 -3.53992 63.546000 Cu 0.0105156 0.318617 1.63502e-17 670 63.546 6.07279e-05 -3.53996 63.546000 Cu 0.0575954 0.297311 1 673 63.546 6.68789e-05 -3.53983 63.546000 Cu 0.142479 0.309177 2.69417e-16 674 63.546 6.35757e-06 -3.54025 63.546000 Cu 0.123574 0.292592 0.5 675 63.546 1.41075e-05 -3.53995 63.546000 Cu 0.0765014 0.313893 0.5 676 63.546 2.49719e-05 -3.54009 63.546000 Cu 0.0954008 0.330494 0 704 63.546 1.41651e-05 -3.54 63.546000 Cu 0.161384 0.325768 0.5 706 63.546 1.03627e-05 -3.54035 63.546000 Cu 0.274487 0.299728 1 678 63.546 1.83859e-05 -3.53985 63.546000 Cu 0.208483 0.304453 0.5 680 63.546 9.81086e-06 -3.54009 63.546000 Cu 0.227375 0.321038 1 708 63.546 2.32528e-05 -3.54036 63.546000 Cu 0.312324 0.332863 2.44411e-16 709 63.546 4.69253e-05 -3.5403 63.546000 Cu 0.293407 0.316298 0.5 710 63.546 2.65989e-05 -3.5402 63.546000 Cu 0.340505 0.294996 0.5 684 63.546 2.41875e-05 -3.53994 63.546000 Cu 0.359445 0.311554 2.30706e-16 712 63.546 2.26832e-05 -3.54012 63.546000 Cu 0.4445 0.323352 1 713 63.546 5.67194e-05 -3.54006 63.546000 Cu 0.425525 0.3068 0.5 714 63.546 7.43229e-06 -3.53995 63.546000 Cu 0.378413 0.328103 0.5 715 63.546 5.91596e-06 -3.54026 63.546000 Cu 0.491552 0.302049 4.30395e-17 716 63.546 4.51204e-05 -3.53981 63.546000 Cu 0.576501 0.313893 0 717 63.546 2.49719e-05 -3.54009 63.546000 Cu 0.557595 0.297311 0.5 718 63.546 6.68789e-05 -3.53983 63.546000 Cu 0.510516 0.318617 0.5 719 63.546 6.07279e-05 -3.53996 63.546000 Cu 0.623574 0.292592 0 720 63.546 1.41075e-05 -3.53995 63.546000 Cu 0.642479 0.309177 0.5 723 63.546 6.35757e-06 -3.54025 63.546000 Cu 0.595401 0.330494 0.5 750 63.546 1.41651e-05 -3.54 63.546000 Cu 0.661384 0.325768 1 752 63.546 1.03627e-05 -3.54035 63.546000 Cu 0.774487 0.299728 0.5 636 63.546 1.83859e-05 -3.53985 63.546000 Cu 0.727375 0.321038 0.5 664 63.546 2.32528e-05 -3.54036 63.546000 Cu 0.793407 0.316298 1 665 63.546 2.65989e-05 -3.5402 63.546000 Cu 0.812324 0.332863 0.5 668 63.546 4.69253e-05 -3.5403 63.546000 Cu 0.708483 0.304453 1 721 63.546 9.81086e-06 -3.54009 63.546000 Cu 0.840505 0.294996 0 634 63.546 2.41875e-05 -3.53994 63.546000 Cu 0.878413 0.328103 1 666 63.546 5.91596e-06 -3.54026 63.546000 Cu 0.859445 0.311554 0.5 667 63.546 2.26832e-05 -3.54012 63.546000 Cu 0.925525 0.3068 1 669 63.546 7.43229e-06 -3.53995 63.546000 Cu 0.991552 0.302049 0.5 671 63.546 4.51204e-05 -3.53981 63.546000 Cu 0.9445 0.323352 0.5 672 63.546 5.67194e-05 -3.54006 63.546000 Cu 0.0483347 0.351801 1 701 63.546 2.75932e-05 -3.53944 63.546000 Cu 0.0294577 0.335204 0.5 702 63.546 4.34933e-05 -3.53982 63.546000 Cu 0.11427 0.347089 0.5 707 63.546 4.01712e-05 -3.53967 63.546000 Cu 0.00121118 0.37311 0 732 63.546 7.56952e-05 -3.53962 63.546000 Cu 0.0671222 0.368405 0.5 734 63.546 6.3128e-05 -3.53995 63.546000 Cu 0.133092 0.363674 9.25709e-18 736 63.546 0.000105802 -3.54029 63.546000 Cu 0.180251 0.342361 1 705 63.546 6.48427e-05 -3.54013 63.546000 Cu 0.246272 0.337618 0.5 711 63.546 8.00428e-05 -3.54028 63.546000 Cu 0.199143 0.358931 0.5 738 63.546 0.00010051 -3.54041 63.546000 Cu 0.26522 0.354173 1 740 63.546 6.66335e-05 -3.54028 63.546000 Cu 0.28422 0.370703 0.5 743 63.546 2.80937e-05 -3.54043 63.546000 Cu 0.33132 0.349408 0.5 742 63.546 1.50882e-05 -3.54005 63.546000 Cu 0.350369 0.365939 1.11085e-16 741 63.546 0.000176727 -3.53956 63.546000 Cu 0.397416 0.344655 1 744 63.546 6.77276e-05 -3.53987 63.546000 Cu 0.482378 0.356506 7.28545e-17 745 63.546 7.84877e-05 -3.53934 63.546000 Cu 0.463451 0.339919 0.5 746 63.546 8.61567e-05 -3.53989 63.546000 Cu 0.416398 0.361212 0.5 747 63.546 0.00018985 -3.53905 63.546000 Cu 0.529458 0.335204 1.52201e-16 748 63.546 4.34933e-05 -3.53982 63.546000 Cu 0.61427 0.347089 1 749 63.546 4.01712e-05 -3.53967 63.546000 Cu 0.548335 0.351801 0.5 751 63.546 2.75932e-05 -3.53944 63.546000 Cu 0.501211 0.37311 0.5 777 63.546 7.56952e-05 -3.53962 63.546000 Cu 0.567122 0.368405 1 779 63.546 6.3128e-05 -3.53995 63.546000 Cu 0.633092 0.363674 0.5 781 63.546 0.000105802 -3.54029 63.546000 Cu 0.746272 0.337618 1 663 63.546 8.00428e-05 -3.54028 63.546000 Cu 0.78422 0.370703 8.69205e-17 693 63.546 2.80937e-05 -3.54043 63.546000 Cu 0.76522 0.354173 0.5 694 63.546 6.66335e-05 -3.54028 63.546000 Cu 0.680251 0.342361 0.5 753 63.546 6.48427e-05 -3.54013 63.546000 Cu 0.699143 0.358931 8.53576e-18 783 63.546 0.00010051 -3.54041 63.546000 Cu 0.83132 0.349408 2.40444e-19 696 63.546 1.50882e-05 -3.54005 63.546000 Cu 0.916398 0.361212 0 697 63.546 0.00018985 -3.53905 63.546000 Cu 0.897416 0.344655 0.5 698 63.546 6.77276e-05 -3.53987 63.546000 Cu 0.850369 0.365939 0.5 699 63.546 0.000176727 -3.53956 63.546000 Cu 0.963451 0.339919 2.36477e-16 700 63.546 8.61567e-05 -3.53989 63.546000 Cu 0.982378 0.356506 0.5 703 63.546 7.84877e-05 -3.53934 63.546000 Cu 0.0858817 0.385017 2.35635e-17 733 63.546 0.000250282 -3.54105 63.546000 Cu 0.0199674 0.389755 0.5 735 63.546 0.000194904 -3.54072 63.546000 Cu 0.151941 0.380257 0.5 739 63.546 0.000240212 -3.54123 63.546000 Cu 0.0386552 0.406401 2.40204e-16 763 63.546 0.000895054 -3.54156 63.546000 Cu 0.104678 0.401621 0.5 765 63.546 0.000796154 -3.54079 63.546000 Cu 0.21807 0.375483 1.26113e-16 737 63.546 0.000148222 -3.54097 63.546000 Cu 0.170788 0.396808 1.5172e-16 767 63.546 0.00056383 -3.54048 63.546000 Cu 0.256051 0.408448 1 768 63.546 0.000673813 -3.53763 63.546000 Cu 0.237017 0.391995 0.5 769 63.546 0.000137754 -3.54007 63.546000 Cu 0.18983 0.413282 0.5 770 63.546 0.000406978 -3.53855 63.546000 Cu 0.303248 0.387213 1.06276e-16 771 63.546 0.00027131 -3.53943 63.546000 Cu 0.32226 0.403706 0.5 774 63.546 0.00158853 -3.53738 63.546000 Cu 0.388275 0.399061 0 772 63.546 0.00100273 -3.53819 63.546000 Cu 0.369376 0.382484 0.5 773 63.546 0.000603131 -3.53877 63.546000 Cu 0.435311 0.377795 6.3357e-17 775 63.546 0.000273114 -3.5389 63.546000 Cu 0.454122 0.394436 0.5 778 63.546 0.000216266 -3.53981 63.546000 Cu 0.406945 0.415716 0.5 804 63.546 0.000657482 -3.53911 63.546000 Cu 0.472745 0.411119 5.07337e-17 806 63.546 0.000911723 -3.54143 63.546000 Cu 0.519967 0.389755 1 776 63.546 0.000194904 -3.54072 63.546000 Cu 0.651941 0.380257 1 780 63.546 0.000240212 -3.54123 63.546000 Cu 0.585882 0.385017 0.5 782 63.546 0.000250282 -3.54105 63.546000 Cu 0.538655 0.406401 0.5 808 63.546 0.000895054 -3.54156 63.546000 Cu 0.604678 0.401621 1 810 63.546 0.000796154 -3.54079 63.546000 Cu 0.71807 0.375483 0.5 695 63.546 0.000148222 -3.54097 63.546000 Cu 0.737017 0.391995 1 724 63.546 0.000137754 -3.54007 63.546000 Cu 0.82226 0.403706 1.61218e-16 725 63.546 0.00158853 -3.53738 63.546000 Cu 0.803248 0.387213 0.5 726 63.546 0.00027131 -3.53943 63.546000 Cu 0.756051 0.408448 0.5 727 63.546 0.000673813 -3.53763 63.546000 Cu 0.68983 0.413282 2.74106e-17 811 63.546 0.000406978 -3.53855 63.546000 Cu 0.670788 0.396808 0.5 812 63.546 0.00056383 -3.54048 63.546000 Cu 0.869376 0.382484 0 728 63.546 0.000603131 -3.53877 63.546000 Cu 0.954122 0.394436 0 729 63.546 0.000216266 -3.53981 63.546000 Cu 0.935311 0.377795 0.5 730 63.546 0.000273114 -3.5389 63.546000 Cu 0.888275 0.399061 0.5 731 63.546 0.00100273 -3.53819 63.546000 Cu 0.906945 0.415716 6.29963e-17 759 63.546 0.000657482 -3.53911 63.546000 Cu 0.972745 0.411119 0.5 761 63.546 0.000911723 -3.54143 63.546000 Cu 0.123635 0.418147 1 764 63.546 0.00093742 -3.5406 63.546000 Cu 0.0574813 0.422991 0.5 766 63.546 0.00184066 -3.54299 63.546000 Cu 0.00962709 0.444279 0.5 792 63.546 0.00389596 -3.5372 63.546000 Cu 0.0764405 0.439481 1.17818e-17 794 63.546 0.00376698 -3.5441 63.546000 Cu 0.142996 0.434618 0.5 796 63.546 0.00204071 -3.54396 63.546000 Cu 0.0953004 0.455804 0.5 797 63.546 0.0102441 -3.53403 63.546000 Cu 0.162789 0.450971 7.44174e-17 795 63.546 0.0177354 -3.539 63.546000 Cu 0.209152 0.429696 1 798 63.546 0.00164875 -3.53553 63.546000 Cu 0.29451 0.44146 2.98151e-17 799 63.546 0.0159076 -3.52708 63.546000 Cu 0.275282 0.424897 0.5 800 63.546 0.00471649 -3.53381 63.546000 Cu 0.229119 0.446124 0.5 801 63.546 0.0127185 -3.53354 63.546000 Cu 0.313738 0.458331 0.5 828 63.546 0.0413392 -3.50747 63.546000 Cu 0.341152 0.420264 1.83819e-16 802 63.546 0.00358369 -3.53492 63.546000 Cu 0.425184 0.43247 0 803 63.546 0.00405466 -3.54028 63.546000 Cu 0.359795 0.436999 0.5 805 63.546 0.00446278 -3.53551 63.546000 Cu 0.49123 0.427763 0.5 809 63.546 0.00253626 -3.54254 63.546000 Cu 0.378049 0.454068 1 830 63.546 0.0275538 -3.52743 63.546000 Cu 0.443258 0.449175 0.5 832 63.546 0.012188 -3.53249 63.546000 Cu 0.557481 0.422991 1 807 63.546 0.00184066 -3.54299 63.546000 Cu 0.623635 0.418147 0.5 813 63.546 0.00093742 -3.5406 63.546000 Cu 0.509627 0.444279 1 834 63.546 0.00389596 -3.5372 63.546000 Cu 0.5953 0.455804 4.85697e-17 835 63.546 0.0102441 -3.53403 63.546000 Cu 0.57644 0.439481 0.5 836 63.546 0.00376698 -3.5441 63.546000 Cu 0.642996 0.434618 1 838 63.546 0.00204071 -3.54396 63.546000 Cu 0.662789 0.450971 0.5 840 63.546 0.0177354 -3.539 63.546000 Cu 0.729119 0.446124 0 754 63.546 0.0127185 -3.53354 63.546000 Cu 0.775282 0.424897 5.28977e-17 755 63.546 0.00471649 -3.53381 63.546000 Cu 0.79451 0.44146 0.5 758 63.546 0.0159076 -3.52708 63.546000 Cu 0.813738 0.458331 1 786 63.546 0.0413392 -3.50747 63.546000 Cu 0.709152 0.429696 0.5 839 63.546 0.00164875 -3.53553 63.546000 Cu 0.859795 0.436999 2.60281e-16 756 63.546 0.00446278 -3.53551 63.546000 Cu 0.841152 0.420264 0.5 757 63.546 0.00358369 -3.53492 63.546000 Cu 0.99123 0.427763 0 760 63.546 0.00253626 -3.54254 63.546000 Cu 0.925184 0.43247 0.5 762 63.546 0.00405466 -3.54028 63.546000 Cu 0.878049 0.454068 0.5 788 63.546 0.0275538 -3.52743 63.546000 Cu 0.943258 0.449175 1 790 63.546 0.012188 -3.53249 63.546000 Cu 0.0278643 0.460699 0 791 63.546 0.0297993 -3.50591 63.546000 Cu 0.0737077 0.497726 3.00555e-18 819 63.546 9.13388 -3.57023 63.546000 Cu 0.0475322 0.477203 0.5 820 63.546 0.483066 -3.45074 63.546000 Cu 0.00464118 0.497755 0.5 821 63.546 9.44341 -3.36698 63.546000 Cu 0.112791 0.471767 0 822 63.546 0.454425 -3.46935 63.546000 Cu 0.131493 0.486673 0.5 825 63.546 9.1472 -3.33626 63.546000 Cu 0.285423 0.497659 0 423 63.546 4.18842 -3.53905 63.546000 Cu 0.199363 0.483132 4.31597e-17 823 63.546 2.79513 -3.43553 63.546000 Cu 0.183162 0.467044 0.5 824 63.546 0.11539 -3.5143 63.546000 Cu 0.249642 0.46287 1.89951e-17 826 63.546 0.08071 -3.51555 63.546000 Cu 0.271019 0.47972 0.5 829 63.546 0.790898 -3.46402 63.546000 Cu 0.3331 0.4763 9.81011e-17 827 63.546 0.501778 -3.45598 63.546000 Cu 0.215493 0.497667 0.5 424 63.546 7.92816 -3.25849 63.546000 Cu 0.482711 0.482781 0.5 406 63.546 2.40709 -3.45375 63.546000 Cu 0.416515 0.486606 8.65598e-18 413 63.546 8.97427 -3.35774 63.546000 Cu 0.356413 0.497791 0.5 421 63.546 8.79403 -3.54567 63.546000 Cu 0.462693 0.465809 1 831 63.546 0.0132242 -3.51035 63.546000 Cu 0.396179 0.470956 0.5 833 63.546 0.396406 -3.48138 63.546000 Cu 0.573708 0.497726 0.5 8 63.546 9.13388 -3.57023 63.546000 Cu 0.612791 0.471767 0.5 10 63.546 0.454425 -3.46935 63.546000 Cu 0.631493 0.486673 0 24 63.546 9.1472 -3.33626 63.546000 Cu 0.547532 0.477203 0 26 63.546 0.483066 -3.45074 63.546000 Cu 0.504641 0.497755 1 412 63.546 9.44341 -3.36698 63.546000 Cu 0.527864 0.460699 0.5 837 63.546 0.0297993 -3.50591 63.546000 Cu 0.699363 0.483132 0.5 1 63.546 2.79513 -3.43553 63.546000 Cu 0.683162 0.467044 1.42463e-16 6 63.546 0.11539 -3.5143 63.546000 Cu 0.771019 0.47972 3.51168e-16 784 63.546 0.790898 -3.46402 63.546000 Cu 0.749642 0.46287 0.5 785 63.546 0.08071 -3.51555 63.546000 Cu 0.785423 0.497659 0.5 815 63.546 4.18842 -3.53905 63.546000 Cu 0.8331 0.4763 0.5 789 63.546 0.501778 -3.45598 63.546000 Cu 0.715493 0.497667 3.56458e-16 814 63.546 7.92816 -3.25849 63.546000 Cu 0.896179 0.470956 4.25586e-17 787 63.546 0.396406 -3.48138 63.546000 Cu 0.962693 0.465809 0.5 793 63.546 0.0132242 -3.51035 63.546000 Cu 0.856413 0.497791 4.23181e-17 816 63.546 8.79403 -3.54567 63.546000 Cu 0.916515 0.486606 0.5 817 63.546 8.97427 -3.35774 63.546000 Cu 0.982711 0.482781 1 818 63.546 2.40709 -3.45375 63.546000 Cu 0.131559 0.508748 0.5 3 63.546 9.15298 -3.33664 63.546000 Cu 0.0281648 0.534819 7.98274e-17 15 63.546 0.0272031 -3.50605 63.546000 Cu 0.0477652 0.518296 0.5 16 63.546 0.481184 -3.4502 63.546000 Cu 0.113015 0.523693 0 18 63.546 0.451038 -3.47047 63.546000 Cu 0.0955639 0.539688 0.5 21 63.546 0.0092152 -3.53411 63.546000 Cu 0.199401 0.512231 1 2 63.546 2.78925 -3.43686 63.546000 Cu 0.271114 0.515623 0.5 4 63.546 0.764535 -3.46555 63.546000 Cu 0.183275 0.528355 0.5 20 63.546 0.115408 -3.51479 63.546000 Cu 0.249705 0.532494 1 22 63.546 0.0815209 -3.51568 63.546000 Cu 0.333219 0.519013 1 25 63.546 0.483044 -3.45902 63.546000 Cu 0.313701 0.537024 0.5 56 63.546 0.0398225 -3.50745 63.546000 Cu 0.416971 0.508874 2.73625e-16 27 63.546 8.93523 -3.35606 63.546000 Cu 0.462916 0.529693 1.61097e-17 28 63.546 0.0124285 -3.51044 63.546000 Cu 0.483095 0.512764 0.5 29 63.546 2.35319 -3.45248 63.546000 Cu 0.396287 0.524467 0.5 30 63.546 0.380049 -3.48188 63.546000 Cu 0.377996 0.541321 0 57 63.546 0.0321347 -3.52825 63.546000 Cu 0.631559 0.508748 1 5 63.546 9.15298 -3.33664 63.546000 Cu 0.547765 0.518296 4.68866e-17 31 63.546 0.481184 -3.4502 63.546000 Cu 0.595564 0.539688 0 32 63.546 0.0092152 -3.53411 63.546000 Cu 0.613015 0.523693 0.5 33 63.546 0.451038 -3.47047 63.546000 Cu 0.528165 0.534819 0.5 34 63.546 0.0272031 -3.50605 63.546000 Cu 0.771114 0.515623 1.64464e-16 7 63.546 0.764535 -3.46555 63.546000 Cu 0.699401 0.512231 0.5 9 63.546 2.78925 -3.43686 63.546000 Cu 0.833219 0.519013 0.5 13 63.546 0.483044 -3.45902 63.546000 Cu 0.683275 0.528355 1.07238e-16 35 63.546 0.115408 -3.51479 63.546000 Cu 0.749705 0.532494 0.5 37 63.546 0.0815209 -3.51568 63.546000 Cu 0.813701 0.537024 0 39 63.546 0.0398225 -3.50745 63.546000 Cu 0.896287 0.524467 1 11 63.546 0.380049 -3.48188 63.546000 Cu 0.916971 0.508874 0.5 12 63.546 8.93523 -3.35606 63.546000 Cu 0.983095 0.512764 4.4963e-17 14 63.546 2.35319 -3.45248 63.546000 Cu 0.962916 0.529693 0.5 17 63.546 0.0124285 -3.51044 63.546000 Cu 0.877996 0.541321 0.5 41 63.546 0.0321347 -3.52825 63.546000 Cu 0.162961 0.544479 0 19 63.546 0.018754 -3.53886 63.546000 Cu 0.00972857 0.551206 0.5 45 63.546 0.00321386 -3.53722 63.546000 Cu 0.0765773 0.556013 3.55857e-17 47 63.546 0.00332062 -3.54379 63.546000 Cu 0.123493 0.577343 0 48 63.546 0.000601477 -3.54096 63.546000 Cu 0.14303 0.560862 0.5 49 63.546 0.00171401 -3.5437 63.546000 Cu 0.0573597 0.57249 0.5 50 63.546 0.00154318 -3.5433 63.546000 Cu 0.229128 0.549289 0.5 23 63.546 0.0124744 -3.53315 63.546000 Cu 0.209107 0.565756 6.54008e-17 51 63.546 0.00166409 -3.53551 63.546000 Cu 0.275092 0.570518 0.5 53 63.546 0.00398842 -3.53364 63.546000 Cu 0.189603 0.582209 0.5 54 63.546 0.000445087 -3.53918 63.546000 Cu 0.294402 0.553928 1 55 63.546 0.0143681 -3.52672 63.546000 Cu 0.340882 0.575137 1 85 63.546 0.00290608 -3.53483 63.546000 Cu 0.424991 0.56294 0 58 63.546 0.00504009 -3.54075 63.546000 Cu 0.443253 0.546269 0.5 59 63.546 0.0131557 -3.53305 63.546000 Cu 0.359609 0.558385 0.5 60 63.546 0.00394976 -3.53551 63.546000 Cu 0.491067 0.567684 0.5 64 63.546 0.0028371 -3.5431 63.546000 Cu 0.406589 0.579686 0.5 87 63.546 0.000595496 -3.53958 63.546000 Cu 0.662961 0.544479 0.5 38 63.546 0.018754 -3.53886 63.546000 Cu 0.509729 0.551206 0 61 63.546 0.00321386 -3.53722 63.546000 Cu 0.55736 0.57249 1 62 63.546 0.00154318 -3.5433 63.546000 Cu 0.576577 0.556013 0.5 63 63.546 0.00332062 -3.54379 63.546000 Cu 0.64303 0.560862 0 65 63.546 0.00171401 -3.5437 63.546000 Cu 0.623493 0.577343 0.5 68 63.546 0.000601477 -3.54096 63.546000 Cu 0.729128 0.549289 8.33138e-17 36 63.546 0.0124744 -3.53315 63.546000 Cu 0.794402 0.553928 0.5 42 63.546 0.0143681 -3.52672 63.546000 Cu 0.689603 0.582209 1 66 63.546 0.000445087 -3.53918 63.546000 Cu 0.709107 0.565756 0.5 67 63.546 0.00166409 -3.53551 63.546000 Cu 0.775092 0.570518 2.30826e-17 69 63.546 0.00398842 -3.53364 63.546000 Cu 0.840882 0.575137 0.5 71 63.546 0.00290608 -3.53483 63.546000 Cu 0.859609 0.558385 7.28545e-17 40 63.546 0.00394976 -3.53551 63.546000 Cu 0.943253 0.546269 4.01541e-17 43 63.546 0.0131557 -3.53305 63.546000 Cu 0.991067 0.567684 3.56939e-16 44 63.546 0.0028371 -3.5431 63.546000 Cu 0.924991 0.56294 0.5 46 63.546 0.00504009 -3.54075 63.546000 Cu 0.906589 0.579686 1 73 63.546 0.000595496 -3.53958 63.546000 Cu 0.0383209 0.589064 0 77 63.546 0.000858955 -3.54194 63.546000 Cu 0.0854076 0.610451 1.39818e-16 78 63.546 0.00022123 -3.54073 63.546000 Cu 0.104328 0.593879 0.5 79 63.546 0.000481894 -3.54093 63.546000 Cu 0.0194745 0.605686 0.5 80 63.546 0.00028449 -3.54079 63.546000 Cu 0.151436 0.615233 0.5 84 63.546 0.000173396 -3.54068 63.546000 Cu 0.00061541 0.622308 0 105 63.546 9.82942e-05 -3.53967 63.546000 Cu 0.170415 0.598699 1 81 63.546 0.000289291 -3.54056 63.546000 Cu 0.255752 0.587009 1 52 63.546 0.000699734 -3.53807 63.546000 Cu 0.217546 0.620012 1 82 63.546 9.07726e-05 -3.54052 63.546000 Cu 0.236568 0.603498 0.5 83 63.546 0.000168411 -3.54011 63.546000 Cu 0.321837 0.591718 0.5 88 63.546 0.00116856 -3.53755 63.546000 Cu 0.302718 0.608242 8.92047e-17 115 63.546 0.000247488 -3.53922 63.546000 Cu 0.283661 0.624766 0.5 118 63.546 9.29171e-05 -3.53992 63.546000 Cu 0.387791 0.596347 3.75093e-17 86 63.546 0.000593137 -3.53865 63.546000 Cu 0.472409 0.584314 6.97288e-18 89 63.546 0.00104898 -3.54223 63.546000 Cu 0.453621 0.600991 0.5 92 63.546 0.000174035 -3.54023 63.546000 Cu 0.368757 0.612941 0.5 117 63.546 0.000302502 -3.53878 63.546000 Cu 0.434721 0.617612 2.63406e-16 119 63.546 0.000129088 -3.53906 63.546000 Cu 0.500615 0.622308 0.5 121 63.546 9.82942e-05 -3.53967 63.546000 Cu 0.519475 0.605686 7.39365e-17 90 63.546 0.00028449 -3.54079 63.546000 Cu 0.538321 0.589064 0.5 91 63.546 0.000858955 -3.54194 63.546000 Cu 0.604328 0.593879 0 93 63.546 0.000481894 -3.54093 63.546000 Cu 0.651436 0.615233 2.24815e-16 94 63.546 0.000173396 -3.54068 63.546000 Cu 0.585408 0.610451 0.5 96 63.546 0.00022123 -3.54073 63.546000 Cu 0.670415 0.598699 0.5 95 63.546 0.000289291 -3.54056 63.546000 Cu 0.821837 0.591718 1.33927e-16 70 63.546 0.00116856 -3.53755 63.546000 Cu 0.755752 0.587009 0.5 72 63.546 0.000699734 -3.53807 63.546000 Cu 0.736568 0.603498 9.22103e-17 97 63.546 0.000168411 -3.54011 63.546000 Cu 0.783661 0.624766 1.4102e-16 98 63.546 9.29171e-05 -3.53992 63.546000 Cu 0.802718 0.608242 0.5 99 63.546 0.000247488 -3.53922 63.546000 Cu 0.717546 0.620012 0.5 100 63.546 9.07726e-05 -3.54052 63.546000 Cu 0.953621 0.600991 1 74 63.546 0.000174035 -3.54023 63.546000 Cu 0.972409 0.584314 0.5 75 63.546 0.00104898 -3.54223 63.546000 Cu 0.887791 0.596347 0.5 76 63.546 0.000593137 -3.53865 63.546000 Cu 0.868757 0.612941 7.28545e-17 101 63.546 0.000302502 -3.53878 63.546000 Cu 0.934721 0.617612 0.5 103 63.546 0.000129088 -3.53906 63.546000 Cu 0.0476835 0.643603 0 106 63.546 3.25913e-05 -3.53962 63.546000 Cu 0.0665882 0.627035 0.5 107 63.546 8.44226e-05 -3.5401 63.546000 Cu 0.132585 0.631787 6.74445e-17 109 63.546 4.33271e-05 -3.54022 63.546000 Cu 0.113724 0.648336 0.5 112 63.546 3.33055e-05 -3.54002 63.546000 Cu 0.0287736 0.660161 0.5 137 63.546 3.7115e-05 -3.53953 63.546000 Cu 0.0947808 0.664888 9.23305e-17 139 63.546 4.47572e-05 -3.5401 63.546000 Cu 0.179785 0.65309 6.10728e-17 110 63.546 2.98229e-05 -3.54032 63.546000 Cu 0.198661 0.636547 0.5 111 63.546 8.17988e-06 -3.54036 63.546000 Cu 0.264749 0.641301 0 113 63.546 2.0687e-05 -3.54017 63.546000 Cu 0.245853 0.65785 0.5 114 63.546 6.17684e-05 -3.54024 63.546000 Cu 0.311882 0.662589 1.14091e-16 146 63.546 4.83858e-05 -3.54011 63.546000 Cu 0.330802 0.646045 0.5 147 63.546 6.26567e-05 -3.53985 63.546000 Cu 0.349733 0.629485 2.38641e-16 116 63.546 6.97874e-05 -3.53935 63.546000 Cu 0.481699 0.638887 1 120 63.546 2.49122e-05 -3.539 63.546000 Cu 0.415746 0.634196 0.5 122 63.546 6.09654e-05 -3.5389 63.546000 Cu 0.396825 0.650751 1 148 63.546 2.30391e-05 -3.53931 63.546000 Cu 0.462792 0.655457 0.5 150 63.546 4.7788e-06 -3.53904 63.546000 Cu 0.566588 0.627035 1 123 63.546 8.44226e-05 -3.5401 63.546000 Cu 0.613724 0.648336 0 124 63.546 3.33055e-05 -3.54002 63.546000 Cu 0.632585 0.631787 0.5 125 63.546 4.33271e-05 -3.54022 63.546000 Cu 0.547684 0.643603 0.5 126 63.546 3.25913e-05 -3.53962 63.546000 Cu 0.528774 0.660161 0 152 63.546 3.7115e-05 -3.53953 63.546000 Cu 0.594781 0.664888 0.5 154 63.546 4.47572e-05 -3.5401 63.546000 Cu 0.698661 0.636547 5.0373e-17 127 63.546 8.17988e-06 -3.54036 63.546000 Cu 0.745853 0.65785 0 128 63.546 6.17684e-05 -3.54024 63.546000 Cu 0.764749 0.641301 0.5 129 63.546 2.0687e-05 -3.54017 63.546000 Cu 0.679785 0.65309 0.5 130 63.546 2.98229e-05 -3.54032 63.546000 Cu 0.830802 0.646045 1.63742e-16 131 63.546 6.26567e-05 -3.53985 63.546000 Cu 0.811882 0.662589 0.5 134 63.546 4.83858e-05 -3.54011 63.546000 Cu 0.915746 0.634196 1 102 63.546 6.09654e-05 -3.5389 63.546000 Cu 0.849733 0.629485 0.5 104 63.546 6.97874e-05 -3.53935 63.546000 Cu 0.981699 0.638887 0.5 108 63.546 2.49122e-05 -3.539 63.546000 Cu 0.896825 0.650751 0.5 133 63.546 2.30391e-05 -3.53931 63.546000 Cu 0.962792 0.655457 2.21689e-16 135 63.546 4.7788e-06 -3.53904 63.546000 Cu 0.00979204 0.676721 1 136 63.546 4.8531e-05 -3.53965 63.546000 Cu 0.141748 0.686181 0 140 63.546 3.18444e-05 -3.54008 63.546000 Cu 0.160815 0.669638 0.5 141 63.546 3.0287e-05 -3.54029 63.546000 Cu 0.075788 0.681446 0.5 142 63.546 4.09426e-05 -3.54005 63.546000 Cu 0.0567042 0.698002 4.2799e-17 168 63.546 3.84047e-05 -3.54027 63.546000 Cu 0.122679 0.702734 0.5 170 63.546 2.26864e-05 -3.54002 63.546000 Cu 0.226842 0.674389 1 143 63.546 2.26739e-05 -3.54025 63.546000 Cu 0.27376 0.695679 7.00894e-17 144 63.546 5.67246e-06 -3.54007 63.546000 Cu 0.207775 0.690934 0.5 145 63.546 2.39278e-05 -3.54003 63.546000 Cu 0.188639 0.707468 6.88872e-17 172 63.546 2.67051e-05 -3.5399 63.546000 Cu 0.292873 0.679143 0.5 176 63.546 5.82599e-05 -3.54022 63.546000 Cu 0.339772 0.700422 0.5 180 63.546 3.48481e-05 -3.54024 63.546000 Cu 0.44386 0.672021 1 149 63.546 2.35329e-05 -3.53927 63.546000 Cu 0.377902 0.667322 0.5 151 63.546 0.00010192 -3.5398 63.546000 Cu 0.358881 0.683874 1.26594e-16 177 63.546 7.39032e-05 -3.54008 63.546000 Cu 0.405736 0.705154 4.32799e-18 178 63.546 4.91876e-05 -3.54007 63.546000 Cu 0.424855 0.688587 0.5 179 63.546 6.18967e-05 -3.53982 63.546000 Cu 0.490767 0.693291 0 181 63.546 1.35312e-05 -3.53998 63.546000 Cu 0.575788 0.681446 1.5184e-16 153 63.546 4.09426e-05 -3.54005 63.546000 Cu 0.509792 0.676721 0.5 155 63.546 4.8531e-05 -3.53965 63.546000 Cu 0.660815 0.669638 1.33446e-16 156 63.546 3.0287e-05 -3.54029 63.546000 Cu 0.641748 0.686181 0.5 159 63.546 3.18444e-05 -3.54008 63.546000 Cu 0.556704 0.698002 0.5 183 63.546 3.84047e-05 -3.54027 63.546000 Cu 0.622679 0.702734 1.32966e-16 185 63.546 2.26864e-05 -3.54002 63.546000 Cu 0.707775 0.690934 0 157 63.546 2.39278e-05 -3.54003 63.546000 Cu 0.726842 0.674389 0.5 158 63.546 2.26739e-05 -3.54025 63.546000 Cu 0.792873 0.679143 9.65383e-17 160 63.546 5.82599e-05 -3.54022 63.546000 Cu 0.77376 0.695679 0.5 163 63.546 5.67246e-06 -3.54007 63.546000 Cu 0.688639 0.707468 0.5 187 63.546 2.67051e-05 -3.5399 63.546000 Cu 0.839772 0.700422 8.25925e-17 161 63.546 3.48481e-05 -3.54024 63.546000 Cu 0.877902 0.667322 7.39365e-17 132 63.546 0.00010192 -3.5398 63.546000 Cu 0.94386 0.672021 0.5 138 63.546 2.35329e-05 -3.53927 63.546000 Cu 0.858881 0.683874 0.5 162 63.546 7.39032e-05 -3.54008 63.546000 Cu 0.924855 0.688587 6.02312e-17 164 63.546 6.18967e-05 -3.53982 63.546000 Cu 0.990767 0.693291 0.5 166 63.546 1.35312e-05 -3.53998 63.546000 Cu 0.905736 0.705154 0.5 167 63.546 4.91876e-05 -3.54007 63.546000 Cu 0.1036 0.719288 3.79901e-17 169 63.546 1.14283e-05 -3.53996 63.546000 Cu 0.0376308 0.714575 0.5 171 63.546 9.31577e-06 -3.54023 63.546000 Cu 0.0185608 0.731133 0 197 63.546 4.59156e-06 -3.5398 63.546000 Cu 0.0845323 0.735845 0.5 199 63.546 3.30984e-06 -3.53984 63.546000 Cu 0.150506 0.740567 5.04932e-17 201 63.546 9.21663e-06 -3.54002 63.546000 Cu 0.169538 0.724013 0.5 175 63.546 5.05785e-05 -3.54004 63.546000 Cu 0.235557 0.728756 1.19621e-16 173 63.546 9.07786e-06 -3.5401 63.546000 Cu 0.254634 0.712214 0.5 174 63.546 7.97143e-06 -3.54009 63.546000 Cu 0.216493 0.745297 0.5 203 63.546 8.5256e-06 -3.54004 63.546000 Cu 0.320628 0.716967 6.78052e-17 206 63.546 2.61675e-05 -3.54002 63.546000 Cu 0.301535 0.733498 0.5 209 63.546 1.3692e-05 -3.53986 63.546000 Cu 0.471683 0.709865 0.5 184 63.546 1.81247e-05 -3.54011 63.546000 Cu 0.367566 0.738243 3.90721e-17 207 63.546 2.66867e-05 -3.5396 63.546000 Cu 0.386606 0.721702 0.5 208 63.546 4.06806e-05 -3.53977 63.546000 Cu 0.452581 0.726424 2.82522e-17 210 63.546 3.11372e-05 -3.53971 63.546000 Cu 0.499526 0.747686 1 211 63.546 8.17606e-06 -3.53974 63.546000 Cu 0.433528 0.742969 0.5 213 63.546 1.384e-05 -3.53958 63.546000 Cu 0.537631 0.714575 5.56628e-17 182 63.546 9.31577e-06 -3.54023 63.546000 Cu 0.6036 0.719288 0.5 188 63.546 1.14283e-05 -3.53996 63.546000 Cu 0.518561 0.731133 0.5 212 63.546 4.59156e-06 -3.5398 63.546000 Cu 0.584532 0.735845 6.82861e-17 214 63.546 3.30984e-06 -3.53984 63.546000 Cu 0.650506 0.740567 0.5 216 63.546 9.21663e-06 -3.54002 63.546000 Cu 0.669538 0.724013 1 186 63.546 5.05785e-05 -3.54004 63.546000 Cu 0.754634 0.712214 6.56412e-17 189 63.546 7.97143e-06 -3.54009 63.546000 Cu 0.801535 0.733498 9.70191e-17 190 63.546 1.3692e-05 -3.53986 63.546000 Cu 0.820628 0.716967 0.5 191 63.546 2.61675e-05 -3.54002 63.546000 Cu 0.735557 0.728756 0.5 192 63.546 9.07786e-06 -3.5401 63.546000 Cu 0.716493 0.745297 1 218 63.546 8.5256e-06 -3.54004 63.546000 Cu 0.971683 0.709865 1 165 63.546 1.81247e-05 -3.54011 63.546000 Cu 0.886606 0.721702 8.89643e-17 193 63.546 4.06806e-05 -3.53977 63.546000 Cu 0.933528 0.742969 1 194 63.546 1.384e-05 -3.53958 63.546000 Cu 0.952581 0.726424 0.5 195 63.546 3.11372e-05 -3.53971 63.546000 Cu 0.867566 0.738243 0.5 196 63.546 2.66867e-05 -3.5396 63.546000 Cu 0.999526 0.747686 0.5 200 63.546 8.17606e-06 -3.53974 63.546000 Cu 0.065472 0.752399 0 198 63.546 1.06137e-05 -3.53981 63.546000 Cu 0.131458 0.757117 0.5 204 63.546 8.21822e-06 -3.53993 63.546000 Cu 0.0274525 0.785497 1.16856e-16 227 63.546 1.703e-05 -3.53969 63.546000 Cu 0.0464583 0.768951 0.5 228 63.546 3.12519e-06 -3.53977 63.546000 Cu 0.112454 0.773669 0 230 63.546 6.14765e-06 -3.53981 63.546000 Cu 0.0934178 0.790215 0.5 233 63.546 9.48699e-06 -3.53981 63.546000 Cu 0.282501 0.750036 1 236 63.546 2.88466e-06 -3.53985 63.546000 Cu 0.197442 0.761841 0 202 63.546 1.24659e-05 -3.53994 63.546000 Cu 0.26345 0.766572 0.5 205 63.546 1.26611e-05 -3.53991 63.546000 Cu 0.178421 0.778389 0.5 232 63.546 9.72657e-06 -3.53994 63.546000 Cu 0.244385 0.783121 1.98366e-17 234 63.546 8.76983e-06 -3.54011 63.546000 Cu 0.329419 0.771312 1.60376e-16 237 63.546 1.20447e-05 -3.54004 63.546000 Cu 0.310378 0.787858 0.5 268 63.546 7.78035e-06 -3.54018 63.546000 Cu 0.3485 0.754774 0.5 238 63.546 3.01399e-06 -3.53975 63.546000 Cu 0.414487 0.759511 1 239 63.546 9.55429e-06 -3.53983 63.546000 Cu 0.461429 0.780779 1 240 63.546 6.16668e-06 -3.53985 63.546000 Cu 0.480479 0.764237 0.5 241 63.546 1.36693e-05 -3.53981 63.546000 Cu 0.395434 0.776054 0.5 242 63.546 1.11873e-05 -3.54008 63.546000 Cu 0.631458 0.757117 4.73675e-17 215 63.546 8.21822e-06 -3.53993 63.546000 Cu 0.565472 0.752399 0.5 217 63.546 1.06137e-05 -3.53981 63.546000 Cu 0.546458 0.768951 0 243 63.546 3.12519e-06 -3.53977 63.546000 Cu 0.593418 0.790215 1 244 63.546 9.48699e-06 -3.53981 63.546000 Cu 0.612454 0.773669 0.5 245 63.546 6.14765e-06 -3.53981 63.546000 Cu 0.527452 0.785497 0.5 246 63.546 1.703e-05 -3.53969 63.546000 Cu 0.782501 0.750036 0.5 220 63.546 2.88466e-06 -3.53985 63.546000 Cu 0.76345 0.766572 6.58817e-17 219 63.546 1.26611e-05 -3.53991 63.546000 Cu 0.697442 0.761841 0.5 221 63.546 1.24659e-05 -3.53994 63.546000 Cu 0.829419 0.771312 0.5 225 63.546 1.20447e-05 -3.54004 63.546000 Cu 0.678421 0.778389 1 247 63.546 9.72657e-06 -3.53994 63.546000 Cu 0.744385 0.783121 0.5 249 63.546 8.76983e-06 -3.54011 63.546000 Cu 0.810378 0.787858 1 251 63.546 7.78035e-06 -3.54018 63.546000 Cu 0.8485 0.754774 1 222 63.546 3.01399e-06 -3.53975 63.546000 Cu 0.895434 0.776054 1 223 63.546 1.11873e-05 -3.54008 63.546000 Cu 0.914487 0.759511 0.5 224 63.546 9.55429e-06 -3.53983 63.546000 Cu 0.980479 0.764237 1 226 63.546 1.36693e-05 -3.53981 63.546000 Cu 0.961429 0.780779 0.5 229 63.546 6.16668e-06 -3.53985 63.546000 Cu 0.159382 0.794945 0 231 63.546 7.56882e-06 -3.54012 63.546000 Cu 0.00837944 0.802041 0.5 257 63.546 1.05313e-05 -3.53961 63.546000 Cu 0.0743451 0.806763 1.81535e-16 259 63.546 4.16098e-05 -3.53981 63.546000 Cu 0.121396 0.828031 1 260 63.546 1.8805e-05 -3.5398 63.546000 Cu 0.140362 0.811494 0.5 261 63.546 1.80161e-05 -3.54006 63.546000 Cu 0.0553818 0.823311 0.5 262 63.546 6.86963e-06 -3.53958 63.546000 Cu 0.22536 0.799677 0.5 235 63.546 1.16213e-05 -3.54021 63.546000 Cu 0.206388 0.816226 1 263 63.546 8.92003e-06 -3.54016 63.546000 Cu 0.272384 0.820965 0.5 265 63.546 1.35383e-05 -3.54023 63.546000 Cu 0.187429 0.832775 0.5 266 63.546 2.03982e-05 -3.53991 63.546000 Cu 0.291362 0.804404 0 267 63.546 1.49052e-05 -3.54023 63.546000 Cu 0.338386 0.825694 2.33231e-16 297 63.546 1.92089e-05 -3.54031 63.546000 Cu 0.376397 0.792595 1.1349e-16 269 63.546 3.20175e-06 -3.54011 63.546000 Cu 0.423364 0.813869 1 270 63.546 1.23743e-05 -3.53982 63.546000 Cu 0.442414 0.797326 0.5 271 63.546 1.49287e-05 -3.53978 63.546000 Cu 0.357367 0.809141 0.5 272 63.546 9.70633e-06 -3.54005 63.546000 Cu 0.489365 0.818591 0.5 276 63.546 7.31923e-06 -3.53967 63.546000 Cu 0.40437 0.830424 0.5 299 63.546 4.26442e-05 -3.54032 63.546000 Cu 0.659382 0.794945 0.5 250 63.546 7.56882e-06 -3.54012 63.546000 Cu 0.508379 0.802041 2.98151e-17 273 63.546 1.05313e-05 -3.53961 63.546000 Cu 0.555382 0.823311 1 274 63.546 6.86963e-06 -3.53958 63.546000 Cu 0.574345 0.806763 0.5 275 63.546 4.16098e-05 -3.53981 63.546000 Cu 0.640362 0.811494 1 277 63.546 1.80161e-05 -3.54006 63.546000 Cu 0.621396 0.828031 0.5 280 63.546 1.8805e-05 -3.5398 63.546000 Cu 0.72536 0.799677 1.4078e-16 248 63.546 1.16213e-05 -3.54021 63.546000 Cu 0.791362 0.804404 0.5 254 63.546 1.49052e-05 -3.54023 63.546000 Cu 0.687429 0.832775 1 278 63.546 2.03982e-05 -3.53991 63.546000 Cu 0.706388 0.816226 0.5 279 63.546 8.92003e-06 -3.54016 63.546000 Cu 0.772384 0.820965 6.31165e-17 281 63.546 1.35383e-05 -3.54023 63.546000 Cu 0.838386 0.825694 0.5 283 63.546 1.92089e-05 -3.54031 63.546000 Cu 0.857367 0.809141 1 252 63.546 9.70633e-06 -3.54005 63.546000 Cu 0.876397 0.792595 0.5 253 63.546 3.20175e-06 -3.54011 63.546000 Cu 0.942414 0.797326 1 255 63.546 1.49287e-05 -3.53978 63.546000 Cu 0.989365 0.818591 9.76203e-17 256 63.546 7.31923e-06 -3.53967 63.546000 Cu 0.923364 0.813869 0.5 258 63.546 1.23743e-05 -3.53982 63.546000 Cu 0.90437 0.830424 1 285 63.546 4.26442e-05 -3.54032 63.546000 Cu 0.0363871 0.839851 2.15919e-16 289 63.546 4.91555e-05 -3.53956 63.546000 Cu 0.0834297 0.861113 1.14692e-16 290 63.546 0.00012418 -3.53905 63.546000 Cu 0.102393 0.844575 0.5 291 63.546 2.88614e-05 -3.53953 63.546000 Cu 0.0174238 0.856416 0.5 292 63.546 0.000107855 -3.53939 63.546000 Cu 0.149443 0.86583 0.5 296 63.546 9.37511e-05 -3.53941 63.546000 Cu 0.168439 0.849301 0 293 63.546 2.01769e-05 -3.53973 63.546000 Cu 0.253453 0.837516 1 264 63.546 3.23188e-05 -3.54002 63.546000 Cu 0.215547 0.870574 0 294 63.546 4.32488e-05 -3.54002 63.546000 Cu 0.234506 0.854046 0.5 295 63.546 2.0822e-05 -3.54007 63.546000 Cu 0.319475 0.842259 0.5 300 63.546 4.50748e-05 -3.54048 63.546000 Cu 0.300576 0.858807 0 327 63.546 6.39904e-05 -3.54053 63.546000 Cu 0.385484 0.847 1.43305e-16 298 63.546 6.45493e-05 -3.54047 63.546000 Cu 0.470392 0.835146 1.20222e-17 301 63.546 2.32366e-05 -3.53997 63.546000 Cu 0.451458 0.851715 0.5 304 63.546 6.68295e-05 -3.53991 63.546000 Cu 0.366678 0.863561 0.5 329 63.546 0.000137277 -3.54051 63.546000 Cu 0.432682 0.868297 2.30345e-16 331 63.546 9.53157e-05 -3.53996 63.546000 Cu 0.498627 0.873002 0.5 333 63.546 5.46058e-05 -3.5394 63.546000 Cu 0.517424 0.856416 1 302 63.546 0.000107855 -3.53939 63.546000 Cu 0.536387 0.839851 0.5 303 63.546 4.91555e-05 -3.53956 63.546000 Cu 0.602393 0.844575 1 305 63.546 2.88614e-05 -3.53953 63.546000 Cu 0.649443 0.86583 2.3804e-17 306 63.546 9.37511e-05 -3.53941 63.546000 Cu 0.58343 0.861113 0.5 308 63.546 0.00012418 -3.53905 63.546000 Cu 0.668439 0.849301 0.5 307 63.546 2.01769e-05 -3.53973 63.546000 Cu 0.819475 0.842259 0 282 63.546 4.50748e-05 -3.54048 63.546000 Cu 0.753453 0.837516 0.5 284 63.546 3.23188e-05 -3.54002 63.546000 Cu 0.734506 0.854046 1.56769e-16 309 63.546 2.0822e-05 -3.54007 63.546000 Cu 0.800576 0.858807 0.5 311 63.546 6.39904e-05 -3.54053 63.546000 Cu 0.715547 0.870574 0.5 312 63.546 4.32488e-05 -3.54002 63.546000 Cu 0.951458 0.851715 0 286 63.546 6.68295e-05 -3.53991 63.546000 Cu 0.970392 0.835146 0.5 287 63.546 2.32366e-05 -3.53997 63.546000 Cu 0.885484 0.847 0.5 288 63.546 6.45493e-05 -3.54047 63.546000 Cu 0.866678 0.863561 1.81054e-16 313 63.546 0.000137277 -3.54051 63.546000 Cu 0.932682 0.868297 0.5 315 63.546 9.53157e-05 -3.53996 63.546000 Cu 0.998627 0.873002 1 317 63.546 5.46058e-05 -3.5394 63.546000 Cu 0.045757 0.894299 0 318 63.546 0.000169506 -3.54006 63.546000 Cu 0.0645155 0.877678 0.5 319 63.546 0.000259374 -3.53891 63.546000 Cu 0.130484 0.882363 0 321 63.546 0.000417358 -3.53882 63.546000 Cu 0.111602 0.898935 0.5 324 63.546 0.000843544 -3.53866 63.546000 Cu 0.0271356 0.910972 0.5 349 63.546 0.0011548 -3.54201 63.546000 Cu 0.0929905 0.915579 2.1676e-16 351 63.546 0.000532046 -3.53955 63.546000 Cu 0.28168 0.875328 0.5 330 63.546 5.00131e-05 -3.54044 63.546000 Cu 0.177644 0.903571 2.22411e-17 322 63.546 0.00122142 -3.53769 63.546000 Cu 0.196574 0.887075 0.5 323 63.546 0.000217358 -3.53913 63.546000 Cu 0.262783 0.891824 0 325 63.546 9.75777e-05 -3.53971 63.546000 Cu 0.243787 0.908292 0.5 326 63.546 0.00062275 -3.53782 63.546000 Cu 0.309957 0.913097 1.5725e-16 358 63.546 0.000303084 -3.5389 63.546000 Cu 0.32898 0.896617 0.5 359 63.546 0.000196064 -3.54014 63.546000 Cu 0.347845 0.880105 5.00123e-17 328 63.546 0.000163237 -3.54064 63.546000 Cu 0.47988 0.889613 1.75524e-17 332 63.546 0.00024966 -3.54049 63.546000 Cu 0.413942 0.884878 0.5 334 63.546 0.000369865 -3.54045 63.546000 Cu 0.395108 0.901432 1 360 63.546 0.000456967 -3.54072 63.546000 Cu 0.461177 0.906235 0.5 362 63.546 0.000959576 -3.54194 63.546000 Cu 0.564516 0.877678 3.5225e-17 335 63.546 0.000259374 -3.53891 63.546000 Cu 0.611602 0.898935 0 336 63.546 0.000843544 -3.53866 63.546000 Cu 0.630484 0.882363 0.5 337 63.546 0.000417358 -3.53882 63.546000 Cu 0.545757 0.894299 0.5 338 63.546 0.000169506 -3.54006 63.546000 Cu 0.527136 0.910972 1 364 63.546 0.0011548 -3.54201 63.546000 Cu 0.59299 0.915579 0.5 366 63.546 0.000532046 -3.53955 63.546000 Cu 0.78168 0.875328 1.516e-16 310 63.546 5.00131e-05 -3.54044 63.546000 Cu 0.696574 0.887075 0 339 63.546 0.000217358 -3.53913 63.546000 Cu 0.743787 0.908292 6.96085e-17 340 63.546 0.00062275 -3.53782 63.546000 Cu 0.762783 0.891824 0.5 341 63.546 9.75777e-05 -3.53971 63.546000 Cu 0.677644 0.903571 0.5 342 63.546 0.00122142 -3.53769 63.546000 Cu 0.82898 0.896617 2.70499e-17 343 63.546 0.000196064 -3.54014 63.546000 Cu 0.809957 0.913097 0.5 346 63.546 0.000303084 -3.5389 63.546000 Cu 0.913942 0.884878 0 314 63.546 0.000369865 -3.54045 63.546000 Cu 0.847845 0.880105 0.5 316 63.546 0.000163237 -3.54064 63.546000 Cu 0.97988 0.889613 0.5 320 63.546 0.00024966 -3.54049 63.546000 Cu 0.895108 0.901432 0.5 345 63.546 0.000456967 -3.54072 63.546000 Cu 0.961177 0.906235 6.6603e-17 347 63.546 0.000959576 -3.54194 63.546000 Cu 0.00866013 0.927592 2.15318e-16 348 63.546 0.00278658 -3.54271 63.546000 Cu 0.14018 0.936861 1 352 63.546 0.00427686 -3.53516 63.546000 Cu 0.158785 0.920137 0.5 353 63.546 0.0028449 -3.5351 63.546000 Cu 0.0747666 0.932317 0.5 354 63.546 0.00459517 -3.54021 63.546000 Cu 0.0566848 0.948989 1 380 63.546 0.0131936 -3.53227 63.546000 Cu 0.121921 0.953911 0.5 382 63.546 0.0298666 -3.52757 63.546000 Cu 0.224638 0.924761 1.54004e-16 355 63.546 0.00390228 -3.5338 63.546000 Cu 0.27082 0.945987 1.29239e-16 356 63.546 0.0115489 -3.53327 63.546000 Cu 0.205436 0.941333 0.5 357 63.546 0.0142049 -3.52674 63.546000 Cu 0.18621 0.9582 1 384 63.546 0.0416718 -3.50775 63.546000 Cu 0.29068 0.929539 0.5 388 63.546 0.00141029 -3.53559 63.546000 Cu 0.337083 0.950805 0.5 392 63.546 0.0184063 -3.53882 63.546000 Cu 0.44232 0.922801 2.4886e-17 361 63.546 0.0015806 -3.54338 63.546000 Cu 0.376112 0.917949 0.5 363 63.546 0.000435897 -3.54102 63.546000 Cu 0.356802 0.93443 1 389 63.546 0.00187981 -3.54395 63.546000 Cu 0.404542 0.955588 1 390 63.546 0.00946787 -3.53389 63.546000 Cu 0.423339 0.939268 0.5 391 63.546 0.00310319 -3.54388 63.546000 Cu 0.490233 0.944067 8.96856e-17 393 63.546 0.00360402 -3.53684 63.546000 Cu 0.574767 0.932317 0 365 63.546 0.00459517 -3.54021 63.546000 Cu 0.50866 0.927592 0.5 367 63.546 0.00278658 -3.54271 63.546000 Cu 0.658785 0.920137 0 368 63.546 0.0028449 -3.5351 63.546000 Cu 0.64018 0.936861 0.5 371 63.546 0.00427686 -3.53516 63.546000 Cu 0.556685 0.948989 0.5 395 63.546 0.0131936 -3.53227 63.546000 Cu 0.621921 0.953911 4.85697e-17 397 63.546 0.0298666 -3.52757 63.546000 Cu 0.705436 0.941333 1 369 63.546 0.0142049 -3.52674 63.546000 Cu 0.724638 0.924761 0.5 370 63.546 0.00390228 -3.5338 63.546000 Cu 0.79068 0.929539 1.33446e-16 372 63.546 0.00141029 -3.53559 63.546000 Cu 0.77082 0.945987 0.5 375 63.546 0.0115489 -3.53327 63.546000 Cu 0.68621 0.9582 0.5 399 63.546 0.0416718 -3.50775 63.546000 Cu 0.837083 0.950805 1 373 63.546 0.0184063 -3.53882 63.546000 Cu 0.876112 0.917949 1 344 63.546 0.000435897 -3.54102 63.546000 Cu 0.94232 0.922801 0.5 350 63.546 0.0015806 -3.54338 63.546000 Cu 0.856802 0.93443 0.5 374 63.546 0.00187981 -3.54395 63.546000 Cu 0.923339 0.939268 1 376 63.546 0.00310319 -3.54388 63.546000 Cu 0.990233 0.944067 0.5 378 63.546 0.00360402 -3.53684 63.546000 Cu 0.904542 0.955588 0.5 379 63.546 0.00946787 -3.53389 63.546000 Cu 0.143552 0.997498 1.95962e-17 444 63.546 8.81317 -3.54597 63.546000 Cu 0.103757 0.970785 3.29408e-17 381 63.546 0.385892 -3.48171 63.546000 Cu 0.037183 0.965577 0.5 383 63.546 0.0132626 -3.51027 63.546000 Cu 0.0170731 0.982548 1 409 63.546 2.37684 -3.45324 63.546000 Cu 0.0831822 0.986394 0.5 410 63.546 8.94558 -3.35713 63.546000 Cu 0.214634 0.997519 0.5 446 63.546 4.18371 -3.53887 63.546000 Cu 0.166793 0.976189 0.5 387 63.546 0.485985 -3.45841 63.546000 Cu 0.228966 0.979602 4.11159e-17 385 63.546 0.770739 -3.46547 63.546000 Cu 0.25032 0.962742 0.5 386 63.546 0.0809538 -3.51618 63.546000 Cu 0.316824 0.966893 2.02093e-16 414 63.546 0.113526 -3.51496 63.546000 Cu 0.300722 0.982992 0.5 417 63.546 2.80193 -3.43556 63.546000 Cu 0.284633 0.997526 2.11831e-16 426 63.546 7.93783 -3.25804 63.546000 Cu 0.426322 0.997556 0.5 450 63.546 9.13335 -3.56912 63.546000 Cu 0.471974 0.960457 0.5 396 63.546 0.0298764 -3.50574 63.546000 Cu 0.368614 0.986528 4.62855e-17 415 63.546 9.13856 -3.33696 63.546000 Cu 0.387195 0.971574 0.5 416 63.546 0.460898 -3.47045 63.546000 Cu 0.452424 0.976971 1.91514e-16 418 63.546 0.490165 -3.45003 63.546000 Cu 0.495315 0.99754 0 419 63.546 9.46186 -3.36749 63.546000 Cu 0.643552 0.997498 0.5 479 63.546 8.81317 -3.54597 63.546000 Cu 0.537183 0.965577 1.78169e-16 394 63.546 0.0132626 -3.51027 63.546000 Cu 0.603757 0.970785 0.5 400 63.546 0.385892 -3.48171 63.546000 Cu 0.517073 0.982548 0.5 420 63.546 2.37684 -3.45324 63.546000 Cu 0.583182 0.986394 1 422 63.546 8.94558 -3.35713 63.546000 Cu 0.714634 0.997519 2.34433e-17 427 63.546 4.18371 -3.53887 63.546000 Cu 0.666793 0.976189 1.7312e-17 398 63.546 0.485985 -3.45841 63.546000 Cu 0.75032 0.962742 1 401 63.546 0.0809538 -3.51618 63.546000 Cu 0.800722 0.982992 1 402 63.546 2.80193 -3.43556 63.546000 Cu 0.816824 0.966893 0.5 403 63.546 0.113526 -3.51496 63.546000 Cu 0.728966 0.979602 0.5 404 63.546 0.770739 -3.46547 63.546000 Cu 0.784633 0.997526 0.5 425 63.546 7.93783 -3.25804 63.546000 Cu 0.926322 0.997556 1 430 63.546 9.13335 -3.56912 63.546000 Cu 0.971974 0.960457 1 377 63.546 0.0298764 -3.50574 63.546000 Cu 0.887195 0.971574 1.38856e-16 405 63.546 0.460898 -3.47045 63.546000 Cu 0.952424 0.976971 0.5 407 63.546 0.490165 -3.45003 63.546000 Cu 0.868614 0.986528 0.5 408 63.546 9.13856 -3.33696 63.546000 Cu 0.995315 0.99754 0.5 411 63.546 9.46186 -3.36749