Number of particles = 930 A = 1 Angstrom (basic length-scale) H0(1,1) = 27.2845 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 110.293 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.58873 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 0.039408 0.00666698 1.19939e-17 466 63.546 6.88149 -3.46692 63.546000 Cu 0.103111 0.00403353 0.5 468 63.546 10.5771 -3.32512 63.546000 Cu 0.00411645 0.0307155 4.58064e-16 470 63.546 0.193371 -3.50826 63.546000 Cu 0.0635956 0.024358 0.5 472 63.546 0.21677 -3.48622 63.546000 Cu 0.123946 0.0186671 1 474 63.546 1.27328 -3.45425 63.546000 Cu 0.148062 0.0344689 0.5 477 63.546 0.208549 -3.49508 63.546000 Cu 0.21187 0.0277868 1 475 63.546 0.175263 -3.47391 63.546000 Cu 0.184666 0.0145964 0.5 476 63.546 8.85762 -3.26957 63.546000 Cu 0.24536 0.00465091 1 478 63.546 8.0019 -3.46046 63.546000 Cu 0.329661 0.0149072 2.87265e-16 479 63.546 7.10709 -3.34463 63.546000 Cu 0.27154 0.0200897 0.5 480 63.546 1.43933 -3.44635 63.546000 Cu 0.296603 0.0360226 2.22053e-17 494 63.546 0.0306409 -3.50947 63.546000 Cu 0.448512 0.00393961 6.71145e-16 481 63.546 7.84837 -3.21317 63.546000 Cu 0.387199 0.00667966 0.5 482 63.546 6.73891 -3.44943 63.546000 Cu 0.356432 0.0295515 0.5 496 63.546 0.0735364 -3.49556 63.546000 Cu 0.414802 0.0237233 2.22053e-17 498 63.546 0.364232 -3.46106 63.546000 Cu 0.478896 0.0164939 0.5 500 63.546 0.795589 -3.4475 63.546000 Cu 0.443306 0.0379506 0.5 501 63.546 0.0221627 -3.51319 63.546000 Cu 0.504116 0.0307155 1.0428e-15 499 63.546 0.193371 -3.50826 63.546000 Cu 0.539408 0.00666698 5.01508e-17 502 63.546 6.88149 -3.46692 63.546000 Cu 0.623946 0.0186671 1 503 63.546 1.27328 -3.45425 63.546000 Cu 0.603111 0.00403353 0.5 504 63.546 10.5771 -3.32512 63.546000 Cu 0.563596 0.024358 0.5 505 63.546 0.21677 -3.48622 63.546000 Cu 0.648062 0.0344689 0.5 531 63.546 0.208549 -3.49508 63.546000 Cu 0.74536 0.00465091 2.22053e-17 506 63.546 8.0019 -3.46046 63.546000 Cu 0.684666 0.0145964 0.5 507 63.546 8.85762 -3.26957 63.546000 Cu 0.71187 0.0277868 1 533 63.546 0.175263 -3.47391 63.546000 Cu 0.796603 0.0360226 1.40634e-16 534 63.546 0.0306409 -3.50947 63.546000 Cu 0.77154 0.0200897 0.5 535 63.546 1.43933 -3.44635 63.546000 Cu 0.829661 0.0149072 1 537 63.546 7.10709 -3.34463 63.546000 Cu 0.948512 0.00393961 3.59047e-16 465 63.546 7.84837 -3.21317 63.546000 Cu 0.978896 0.0164939 0.5 467 63.546 0.795589 -3.4475 63.546000 Cu 0.914802 0.0237233 4.02294e-16 538 63.546 0.364232 -3.46106 63.546000 Cu 0.887199 0.00667966 0.5 539 63.546 6.73891 -3.44943 63.546000 Cu 0.856432 0.0295515 0.5 540 63.546 0.0735364 -3.49556 63.546000 Cu 0.943306 0.0379506 0.5 572 63.546 0.0221627 -3.51319 63.546000 Cu 0.0885454 0.040037 6.98335e-17 471 63.546 0.0159057 -3.50872 63.546000 Cu 0.0291582 0.0461114 0.5 473 63.546 0.0223659 -3.52184 63.546000 Cu 0.0543644 0.0614903 2.60482e-16 486 63.546 0.00282041 -3.5182 63.546000 Cu 0.140373 0.0702711 1 487 63.546 0.00202392 -3.5202 63.546000 Cu 0.114201 0.0554161 0.5 488 63.546 0.0275184 -3.51358 63.546000 Cu 0.0799892 0.0766633 0.5 489 63.546 0.00379986 -3.51864 63.546000 Cu 0.175126 0.0489454 1 490 63.546 0.0126852 -3.52069 63.546000 Cu 0.261399 0.057339 3.66539e-16 491 63.546 0.00155473 -3.52348 63.546000 Cu 0.236193 0.0422567 0.5 492 63.546 0.0374396 -3.52609 63.546000 Cu 0.200934 0.0637466 0.5 493 63.546 0.00276919 -3.52363 63.546000 Cu 0.321938 0.0510237 0.5 497 63.546 0.00287727 -3.51839 63.546000 Cu 0.286977 0.0723513 0.5 519 63.546 0.000658572 -3.52069 63.546000 Cu 0.382161 0.0447644 4.45315e-17 495 63.546 0.0307351 -3.51277 63.546000 Cu 0.347515 0.0659877 2.44077e-16 521 63.546 0.00396327 -3.51955 63.546000 Cu 0.43411 0.0742479 4.52521e-16 522 63.546 0.00411857 -3.52296 63.546000 Cu 0.408431 0.0594172 0.5 523 63.546 0.00257597 -3.51987 63.546000 Cu 0.469157 0.0526465 2.02612e-16 525 63.546 0.0216939 -3.52318 63.546000 Cu 0.494474 0.0677573 0.5 528 63.546 0.00599797 -3.52255 63.546000 Cu 0.554364 0.0614903 3.29621e-16 526 63.546 0.00282041 -3.5182 63.546000 Cu 0.529158 0.0461114 0.5 527 63.546 0.0223659 -3.52184 63.546000 Cu 0.588545 0.040037 1.28398e-18 529 63.546 0.0159057 -3.50872 63.546000 Cu 0.614201 0.0554161 0.5 532 63.546 0.0275184 -3.51358 63.546000 Cu 0.579989 0.0766633 0.5 561 63.546 0.00379986 -3.51864 63.546000 Cu 0.640373 0.0702711 3.28473e-16 563 63.546 0.00202392 -3.5202 63.546000 Cu 0.675126 0.0489454 1 530 63.546 0.0126852 -3.52069 63.546000 Cu 0.736193 0.0422567 0.5 536 63.546 0.0374396 -3.52609 63.546000 Cu 0.700934 0.0637466 0.5 565 63.546 0.00276919 -3.52363 63.546000 Cu 0.761399 0.057339 8.92745e-18 567 63.546 0.00155473 -3.52348 63.546000 Cu 0.821938 0.0510237 0.5 569 63.546 0.00287727 -3.51839 63.546000 Cu 0.786977 0.0723513 0.5 570 63.546 0.000658572 -3.52069 63.546000 Cu 0.969157 0.0526465 5.58396e-16 469 63.546 0.0216939 -3.52318 63.546000 Cu 0.994474 0.0677573 0.5 484 63.546 0.00599797 -3.52255 63.546000 Cu 0.847515 0.0659877 8.93803e-17 568 63.546 0.00396327 -3.51955 63.546000 Cu 0.882161 0.0447644 1 571 63.546 0.0307351 -3.51277 63.546000 Cu 0.908431 0.0594172 0.5 573 63.546 0.00257597 -3.51987 63.546000 Cu 0.93411 0.0742479 1 606 63.546 0.00411857 -3.52296 63.546000 Cu 0.0198366 0.0829254 2.22053e-17 483 63.546 0.000500547 -3.52078 63.546000 Cu 0.0711562 0.113009 1 510 63.546 0.000247274 -3.52098 63.546000 Cu 0.0454427 0.0980122 0.5 511 63.546 0.000628736 -3.52048 63.546000 Cu 0.105819 0.091641 1 513 63.546 0.000682047 -3.52075 63.546000 Cu 0.166214 0.0851919 0.5 515 63.546 8.0288e-05 -3.52214 63.546000 Cu 0.131555 0.106602 0.5 516 63.546 0.000109704 -3.52151 63.546000 Cu 0.192006 0.100159 1 514 63.546 2.93335e-05 -3.52167 63.546000 Cu 0.226598 0.0787384 1 517 63.546 0.000310426 -3.52203 63.546000 Cu 0.312792 0.0873147 2.79274e-16 518 63.546 0.00068979 -3.52054 63.546000 Cu 0.252376 0.0937317 0.5 520 63.546 6.75537e-05 -3.52104 63.546000 Cu 0.217756 0.115125 0.5 549 63.546 1.69675e-05 -3.52129 63.546000 Cu 0.27822 0.108697 2.09621e-16 551 63.546 0.000109552 -3.52096 63.546000 Cu 0.373397 0.0808191 0.5 524 63.546 0.000413792 -3.52133 63.546000 Cu 0.338668 0.10223 0.5 553 63.546 9.12892e-05 -3.52127 63.546000 Cu 0.399167 0.0957225 1.75105e-16 555 63.546 0.00105092 -3.52223 63.546000 Cu 0.485128 0.104343 3.53775e-17 556 63.546 0.00018849 -3.52127 63.546000 Cu 0.459596 0.0892648 0.5 557 63.546 0.00172376 -3.52236 63.546000 Cu 0.424856 0.110728 0.5 558 63.546 0.000492195 -3.52187 63.546000 Cu 0.519837 0.0829254 1 559 63.546 0.000500547 -3.52078 63.546000 Cu 0.605819 0.091641 1 560 63.546 0.000682047 -3.52075 63.546000 Cu 0.545443 0.0980122 0.5 562 63.546 0.000628736 -3.52048 63.546000 Cu 0.666214 0.0851919 0.5 566 63.546 8.0288e-05 -3.52214 63.546000 Cu 0.571156 0.113009 4.53336e-16 594 63.546 0.000247274 -3.52098 63.546000 Cu 0.631555 0.106602 0.5 596 63.546 0.000109704 -3.52151 63.546000 Cu 0.726598 0.0787384 8.69029e-17 564 63.546 0.000310426 -3.52203 63.546000 Cu 0.692006 0.100159 3.76781e-16 598 63.546 2.93335e-05 -3.52167 63.546000 Cu 0.77822 0.108697 1 599 63.546 0.000109552 -3.52096 63.546000 Cu 0.752376 0.0937317 0.5 600 63.546 6.75537e-05 -3.52104 63.546000 Cu 0.717756 0.115125 0.5 601 63.546 1.69675e-05 -3.52129 63.546000 Cu 0.812792 0.0873147 3.83835e-17 602 63.546 0.00068979 -3.52054 63.546000 Cu 0.959596 0.0892648 0.5 485 63.546 0.00172376 -3.52236 63.546000 Cu 0.985128 0.104343 1.137e-16 509 63.546 0.00018849 -3.52127 63.546000 Cu 0.899167 0.0957225 2.43519e-16 603 63.546 0.00105092 -3.52223 63.546000 Cu 0.873397 0.0808191 0.5 604 63.546 0.000413792 -3.52133 63.546000 Cu 0.838668 0.10223 0.5 605 63.546 9.12892e-05 -3.52127 63.546000 Cu 0.924856 0.110728 0.5 638 63.546 0.000492195 -3.52187 63.546000 Cu 0.010835 0.119385 0.5 512 63.546 9.70528e-05 -3.52095 63.546000 Cu 0.0366192 0.13439 1 543 63.546 6.5257e-05 -3.52121 63.546000 Cu 0.122803 0.142962 7.71552e-16 544 63.546 3.25524e-05 -3.52139 63.546000 Cu 0.096982 0.127995 0.5 545 63.546 0.000117773 -3.52143 63.546000 Cu 0.0624337 0.149376 0.5 546 63.546 5.33979e-05 -3.52129 63.546000 Cu 0.157366 0.121561 2.24516e-16 547 63.546 1.19122e-05 -3.52152 63.546000 Cu 0.243548 0.130094 1 548 63.546 4.6016e-05 -3.52134 63.546000 Cu 0.183185 0.136529 0.5 550 63.546 3.84373e-06 -3.52136 63.546000 Cu 0.303984 0.123643 0.5 554 63.546 2.49927e-05 -3.52138 63.546000 Cu 0.208986 0.151494 2.22053e-17 582 63.546 5.66702e-05 -3.52137 63.546000 Cu 0.269404 0.145051 0.5 584 63.546 1.01363e-05 -3.52145 63.546000 Cu 0.329814 0.138599 1 586 63.546 7.31759e-05 -3.52158 63.546000 Cu 0.364444 0.117177 3.16343e-16 552 63.546 0.000203613 -3.5217 63.546000 Cu 0.415972 0.147162 1.21193e-16 587 63.546 4.38444e-05 -3.5214 63.546000 Cu 0.390185 0.132159 0.5 588 63.546 0.000191604 -3.52161 63.546000 Cu 0.355642 0.15357 0.5 589 63.546 8.73731e-05 -3.52149 63.546000 Cu 0.450523 0.125758 8.95917e-17 590 63.546 7.44344e-05 -3.52132 63.546000 Cu 0.476278 0.14077 0.5 593 63.546 2.09873e-05 -3.52129 63.546000 Cu 0.536619 0.13439 2.22053e-17 591 63.546 6.5257e-05 -3.52121 63.546000 Cu 0.510835 0.119385 0.5 592 63.546 9.70528e-05 -3.52095 63.546000 Cu 0.657366 0.121561 9.79603e-17 595 63.546 1.19122e-05 -3.52152 63.546000 Cu 0.596982 0.127995 0.5 597 63.546 0.000117773 -3.52143 63.546000 Cu 0.562434 0.149376 0.5 627 63.546 5.33979e-05 -3.52129 63.546000 Cu 0.622803 0.142962 3.67929e-16 629 63.546 3.25524e-05 -3.52139 63.546000 Cu 0.708986 0.151494 1 630 63.546 5.66702e-05 -3.52137 63.546000 Cu 0.683185 0.136529 0.5 631 63.546 3.84373e-06 -3.52136 63.546000 Cu 0.743548 0.130094 6.98139e-16 633 63.546 4.6016e-05 -3.52134 63.546000 Cu 0.829814 0.138599 4.17068e-16 634 63.546 7.31759e-05 -3.52158 63.546000 Cu 0.803984 0.123643 0.5 635 63.546 2.49927e-05 -3.52138 63.546000 Cu 0.769404 0.145051 0.5 636 63.546 1.01363e-05 -3.52145 63.546000 Cu 0.950523 0.125758 5.29303e-17 508 63.546 7.44344e-05 -3.52132 63.546000 Cu 0.976278 0.14077 0.5 542 63.546 2.09873e-05 -3.52129 63.546000 Cu 0.864444 0.117177 1.91978e-16 637 63.546 0.000203613 -3.5217 63.546000 Cu 0.890185 0.132159 0.5 639 63.546 0.000191604 -3.52161 63.546000 Cu 0.855642 0.15357 0.5 670 63.546 8.73731e-05 -3.52149 63.546000 Cu 0.915972 0.147162 1 672 63.546 4.38444e-05 -3.5214 63.546000 Cu 0.00209587 0.155772 2.53473e-17 541 63.546 4.45077e-05 -3.52121 63.546000 Cu 0.0538953 0.18572 1.92461e-16 575 63.546 2.42895e-05 -3.52132 63.546000 Cu 0.0279569 0.170749 0.5 576 63.546 3.85403e-05 -3.52121 63.546000 Cu 0.0882703 0.164349 2.00724e-16 578 63.546 8.37639e-05 -3.52137 63.546000 Cu 0.148629 0.157928 0.5 580 63.546 5.28138e-05 -3.52145 63.546000 Cu 0.11421 0.179312 0.5 581 63.546 4.45414e-05 -3.5214 63.546000 Cu 0.174547 0.172886 1 579 63.546 3.03105e-05 -3.5214 63.546000 Cu 0.29528 0.160003 4.59273e-16 583 63.546 4.23004e-05 -3.5215 63.546000 Cu 0.234902 0.166447 0.5 585 63.546 1.71165e-05 -3.52141 63.546000 Cu 0.20052 0.187831 0.5 615 63.546 2.5158e-06 -3.52138 63.546000 Cu 0.260853 0.181393 1.4719e-16 617 63.546 2.26744e-05 -3.52137 63.546000 Cu 0.321178 0.174965 0.5 619 63.546 4.78803e-05 -3.5214 63.546000 Cu 0.347109 0.189932 5.57611e-16 618 63.546 4.3255e-05 -3.52138 63.546000 Cu 0.381495 0.168552 3.0444e-16 621 63.546 3.95e-05 -3.52134 63.546000 Cu 0.467662 0.177143 2.89183e-16 622 63.546 2.32979e-05 -3.52121 63.546000 Cu 0.441793 0.162156 0.5 623 63.546 1.53316e-05 -3.5212 63.546000 Cu 0.407394 0.183532 0.5 624 63.546 1.11874e-05 -3.52126 63.546000 Cu 0.493603 0.192119 0.5 658 63.546 1.07387e-05 -3.52132 63.546000 Cu 0.502096 0.155772 1 625 63.546 4.45077e-05 -3.52121 63.546000 Cu 0.58827 0.164349 5.75677e-17 626 63.546 8.37639e-05 -3.52137 63.546000 Cu 0.527957 0.170749 0.5 628 63.546 3.85403e-05 -3.52121 63.546000 Cu 0.648629 0.157928 0.5 632 63.546 5.28138e-05 -3.52145 63.546000 Cu 0.553895 0.18572 1 660 63.546 2.42895e-05 -3.52132 63.546000 Cu 0.61421 0.179312 0.5 662 63.546 4.45414e-05 -3.5214 63.546000 Cu 0.674547 0.172886 2.22053e-17 664 63.546 3.03105e-05 -3.5214 63.546000 Cu 0.760853 0.181393 2.22053e-17 665 63.546 2.26744e-05 -3.52137 63.546000 Cu 0.734902 0.166447 0.5 666 63.546 1.71165e-05 -3.52141 63.546000 Cu 0.70052 0.187831 0.5 667 63.546 2.5158e-06 -3.52138 63.546000 Cu 0.79528 0.160003 1.2367e-16 668 63.546 4.23004e-05 -3.5215 63.546000 Cu 0.821178 0.174965 0.5 671 63.546 4.78803e-05 -3.5214 63.546000 Cu 0.967662 0.177143 1 574 63.546 2.32979e-05 -3.52121 63.546000 Cu 0.993603 0.192119 0.5 577 63.546 1.07387e-05 -3.52132 63.546000 Cu 0.881495 0.168552 1 669 63.546 3.95e-05 -3.52134 63.546000 Cu 0.941793 0.162156 0.5 673 63.546 1.53316e-05 -3.5212 63.546000 Cu 0.847109 0.189932 3.49772e-16 703 63.546 4.3255e-05 -3.52138 63.546000 Cu 0.907394 0.183532 0.5 705 63.546 1.11874e-05 -3.52126 63.546000 Cu 0.0195689 0.207094 1.52537e-16 609 63.546 9.03625e-06 -3.52147 63.546000 Cu 0.105829 0.215652 6.78154e-16 610 63.546 2.24097e-05 -3.52152 63.546000 Cu 0.0798695 0.200685 0.5 611 63.546 1.76898e-05 -3.5214 63.546000 Cu 0.0455123 0.222071 0.5 612 63.546 2.40336e-05 -3.52149 63.546000 Cu 0.14019 0.194265 3.40724e-16 613 63.546 1.56731e-05 -3.52141 63.546000 Cu 0.166156 0.209221 0.5 616 63.546 3.00448e-06 -3.52154 63.546000 Cu 0.131795 0.230608 0.5 646 63.546 1.88513e-05 -3.52144 63.546000 Cu 0.226483 0.202783 2.22053e-17 614 63.546 9.96331e-06 -3.52151 63.546000 Cu 0.286804 0.19635 0.5 620 63.546 3.80505e-05 -3.52146 63.546000 Cu 0.192126 0.224176 3.12174e-16 648 63.546 8.55387e-06 -3.52151 63.546000 Cu 0.252447 0.217744 0.5 650 63.546 2.31781e-05 -3.52156 63.546000 Cu 0.31275 0.211322 2.55724e-16 652 63.546 3.17607e-05 -3.52156 63.546000 Cu 0.398976 0.219904 1 653 63.546 9.84271e-06 -3.52149 63.546000 Cu 0.373038 0.204915 0.5 654 63.546 7.7445e-06 -3.52154 63.546000 Cu 0.338691 0.226304 0.5 655 63.546 2.10891e-05 -3.52139 63.546000 Cu 0.433323 0.198515 3.4592e-18 656 63.546 4.79256e-06 -3.52143 63.546000 Cu 0.459268 0.213501 0.5 659 63.546 5.31951e-06 -3.52154 63.546000 Cu 0.485209 0.22848 8.10903e-16 691 63.546 2.2178e-05 -3.52142 63.546000 Cu 0.519569 0.207094 5.50753e-17 657 63.546 9.03625e-06 -3.52147 63.546000 Cu 0.64019 0.194265 6.63592e-17 661 63.546 1.56731e-05 -3.52141 63.546000 Cu 0.579869 0.200685 0.5 663 63.546 1.76898e-05 -3.5214 63.546000 Cu 0.545512 0.222071 0.5 693 63.546 2.40336e-05 -3.52149 63.546000 Cu 0.605829 0.215652 1.42673e-16 695 63.546 2.24097e-05 -3.52152 63.546000 Cu 0.666156 0.209221 0.5 697 63.546 3.00448e-06 -3.52154 63.546000 Cu 0.631795 0.230608 0.5 698 63.546 1.88513e-05 -3.52144 63.546000 Cu 0.692126 0.224176 1 696 63.546 8.55387e-06 -3.52151 63.546000 Cu 0.726483 0.202783 7.19468e-16 699 63.546 9.96331e-06 -3.52151 63.546000 Cu 0.81275 0.211322 1.8009e-16 700 63.546 3.17607e-05 -3.52156 63.546000 Cu 0.786804 0.19635 0.5 701 63.546 3.80505e-05 -3.52146 63.546000 Cu 0.752447 0.217744 0.5 702 63.546 2.31781e-05 -3.52156 63.546000 Cu 0.985209 0.22848 2.22053e-17 607 63.546 2.2178e-05 -3.52142 63.546000 Cu 0.959268 0.213501 0.5 608 63.546 5.31951e-06 -3.52154 63.546000 Cu 0.933323 0.198515 2.22053e-17 704 63.546 4.79256e-06 -3.52143 63.546000 Cu 0.873038 0.204915 0.5 706 63.546 7.7445e-06 -3.52154 63.546000 Cu 0.838691 0.226304 0.5 736 63.546 2.10891e-05 -3.52139 63.546000 Cu 0.898976 0.219904 1 738 63.546 9.84271e-06 -3.52149 63.546000 Cu 0.0371218 0.258398 4.43835e-16 641 63.546 2.09321e-05 -3.52138 63.546000 Cu 0.0111512 0.243445 0.5 642 63.546 2.85831e-05 -3.52133 63.546000 Cu 0.0714645 0.237032 2.22053e-17 644 63.546 3.40724e-05 -3.52138 63.546000 Cu 0.157783 0.245548 5.03019e-18 645 63.546 1.76069e-06 -3.52135 63.546000 Cu 0.0974465 0.251976 0.5 647 63.546 6.68472e-06 -3.52137 63.546000 Cu 0.123419 0.266918 1 679 63.546 1.68697e-06 -3.52151 63.546000 Cu 0.278408 0.232707 4.66357e-16 649 63.546 2.83277e-05 -3.52132 63.546000 Cu 0.218108 0.239122 0.5 651 63.546 1.58785e-05 -3.52132 63.546000 Cu 0.183754 0.260487 0.5 681 63.546 1.31845e-05 -3.52145 63.546000 Cu 0.244073 0.254066 1.35951e-19 683 63.546 2.80585e-05 -3.52128 63.546000 Cu 0.330327 0.262619 1 684 63.546 3.0468e-05 -3.52132 63.546000 Cu 0.304367 0.247661 0.5 685 63.546 1.81215e-05 -3.5211 63.546000 Cu 0.270037 0.269019 0.5 686 63.546 3.66836e-05 -3.52147 63.546000 Cu 0.364641 0.24127 0 687 63.546 6.38826e-06 -3.52108 63.546000 Cu 0.450863 0.249844 1 688 63.546 1.03122e-05 -3.52125 63.546000 Cu 0.424919 0.23488 0.5 689 63.546 1.7078e-05 -3.52124 63.546000 Cu 0.390595 0.256232 0.5 690 63.546 6.30525e-06 -3.52123 63.546000 Cu 0.476823 0.264808 0.5 724 63.546 2.47828e-05 -3.5214 63.546000 Cu 0.571464 0.237032 1 692 63.546 3.40724e-05 -3.52138 63.546000 Cu 0.511151 0.243445 0.5 694 63.546 2.85831e-05 -3.52133 63.546000 Cu 0.537122 0.258398 1.79531e-16 726 63.546 2.09321e-05 -3.52138 63.546000 Cu 0.623419 0.266918 1.58655e-16 727 63.546 1.68697e-06 -3.52151 63.546000 Cu 0.597447 0.251976 0.5 728 63.546 6.68472e-06 -3.52137 63.546000 Cu 0.657783 0.245548 7.17927e-16 730 63.546 1.76069e-06 -3.52135 63.546000 Cu 0.744073 0.254066 2.64863e-16 731 63.546 2.80585e-05 -3.52128 63.546000 Cu 0.718108 0.239122 0.5 732 63.546 1.58785e-05 -3.52132 63.546000 Cu 0.683754 0.260487 0.5 733 63.546 1.31845e-05 -3.52145 63.546000 Cu 0.778408 0.232707 1.31238e-16 734 63.546 2.83277e-05 -3.52132 63.546000 Cu 0.804367 0.247661 0.5 737 63.546 1.81215e-05 -3.5211 63.546000 Cu 0.830327 0.262619 7.74468e-17 769 63.546 3.0468e-05 -3.52132 63.546000 Cu 0.770037 0.269019 0.5 767 63.546 3.66836e-05 -3.52147 63.546000 Cu 0.950863 0.249844 2.22053e-17 640 63.546 1.03122e-05 -3.52125 63.546000 Cu 0.976823 0.264808 0.5 643 63.546 2.47828e-05 -3.5214 63.546000 Cu 0.864641 0.24127 1 735 63.546 6.38826e-06 -3.52108 63.546000 Cu 0.924919 0.23488 0.5 739 63.546 1.7078e-05 -3.52124 63.546000 Cu 0.890595 0.256232 0.5 771 63.546 6.30525e-06 -3.52123 63.546000 Cu 0.00278037 0.279769 2.22053e-17 675 63.546 2.43999e-05 -3.5215 63.546000 Cu 0.0890494 0.288296 2.28851e-16 676 63.546 2.04635e-05 -3.52157 63.546000 Cu 0.0630917 0.273347 0.5 677 63.546 9.42469e-06 -3.52152 63.546000 Cu 0.0287255 0.294727 0.5 678 63.546 4.81308e-05 -3.5216 63.546000 Cu 0.149384 0.281863 0.5 682 63.546 9.24606e-06 -3.52155 63.546000 Cu 0.115043 0.303228 0.5 712 63.546 1.93885e-05 -3.52142 63.546000 Cu 0.20972 0.275435 1 680 63.546 1.85084e-05 -3.52155 63.546000 Cu 0.175391 0.296799 1 714 63.546 2.97432e-05 -3.52131 63.546000 Cu 0.26171 0.305337 0 715 63.546 4.92564e-05 -3.52128 63.546000 Cu 0.235712 0.290386 0.5 716 63.546 3.9228e-05 -3.52135 63.546000 Cu 0.296013 0.283985 1 718 63.546 2.62644e-05 -3.5214 63.546000 Cu 0.321979 0.298953 0.5 721 63.546 1.6247e-05 -3.5213 63.546000 Cu 0.382233 0.29257 1 719 63.546 3.87219e-06 -3.5213 63.546000 Cu 0.356282 0.277596 0.5 720 63.546 2.1138e-06 -3.52139 63.546000 Cu 0.416548 0.271206 1 722 63.546 7.94333e-06 -3.52141 63.546000 Cu 0.442496 0.286179 0.5 725 63.546 2.40905e-05 -3.52141 63.546000 Cu 0.468434 0.301147 6.75375e-17 757 63.546 5.67189e-05 -3.52155 63.546000 Cu 0.408177 0.307548 0.5 755 63.546 3.27905e-05 -3.52144 63.546000 Cu 0.50278 0.279769 1 723 63.546 2.43999e-05 -3.5215 63.546000 Cu 0.563092 0.273347 0.5 729 63.546 9.42469e-06 -3.52152 63.546000 Cu 0.528725 0.294727 0.5 759 63.546 4.81308e-05 -3.5216 63.546000 Cu 0.589049 0.288296 1 761 63.546 2.04635e-05 -3.52157 63.546000 Cu 0.649384 0.281863 0.5 763 63.546 9.24606e-06 -3.52155 63.546000 Cu 0.615043 0.303228 0.5 764 63.546 1.93885e-05 -3.52142 63.546000 Cu 0.675391 0.296799 3.19712e-16 762 63.546 2.97432e-05 -3.52131 63.546000 Cu 0.70972 0.275435 1 765 63.546 1.85084e-05 -3.52155 63.546000 Cu 0.796013 0.283985 2.22053e-17 766 63.546 2.62644e-05 -3.5214 63.546000 Cu 0.735712 0.290386 0.5 768 63.546 3.9228e-05 -3.52135 63.546000 Cu 0.76171 0.305337 1 799 63.546 4.92564e-05 -3.52128 63.546000 Cu 0.821979 0.298953 0.5 801 63.546 1.6247e-05 -3.5213 63.546000 Cu 0.968434 0.301147 1 674 63.546 5.67189e-05 -3.52155 63.546000 Cu 0.916548 0.271206 3.01207e-16 770 63.546 7.94333e-06 -3.52141 63.546000 Cu 0.856282 0.277596 0.5 772 63.546 2.1138e-06 -3.52139 63.546000 Cu 0.882233 0.29257 7.55284e-20 803 63.546 3.87219e-06 -3.5213 63.546000 Cu 0.942496 0.286179 0.5 804 63.546 2.40905e-05 -3.52141 63.546000 Cu 0.908177 0.307548 0.5 805 63.546 3.27905e-05 -3.52144 63.546000 Cu 0.0203224 0.33103 1 707 63.546 0.000125621 -3.52162 63.546000 Cu 0.0546976 0.309667 1.26676e-16 710 63.546 5.88842e-05 -3.52156 63.546000 Cu 0.14109 0.318143 4.5311e-16 711 63.546 7.5411e-05 -3.52148 63.546000 Cu 0.080724 0.324581 0.5 713 63.546 5.41293e-05 -3.52159 63.546000 Cu 0.106671 0.33948 1 745 63.546 0.000164512 -3.52139 63.546000 Cu 0.0461923 0.34593 0.5 743 63.546 7.02544e-05 -3.52145 63.546000 Cu 0.1671 0.333063 0.5 747 63.546 0.000304888 -3.52128 63.546000 Cu 0.201427 0.311728 0.5 717 63.546 0.000111831 -3.52131 63.546000 Cu 0.227414 0.326678 1.01767e-16 749 63.546 0.000156504 -3.52122 63.546000 Cu 0.313549 0.335282 3.79409e-16 750 63.546 0.000122379 -3.52127 63.546000 Cu 0.287685 0.320301 0.5 751 63.546 6.90874e-05 -3.52138 63.546000 Cu 0.253272 0.341635 0.5 752 63.546 0.000233492 -3.52086 63.546000 Cu 0.347938 0.313928 6.77414e-16 753 63.546 2.55258e-05 -3.5214 63.546000 Cu 0.434086 0.322521 5.16538e-16 754 63.546 0.000150341 -3.52153 63.546000 Cu 0.373811 0.328911 0.5 756 63.546 9.52191e-05 -3.52149 63.546000 Cu 0.494373 0.316105 0.5 760 63.546 0.00014797 -3.52159 63.546000 Cu 0.399555 0.343894 3.34742e-16 787 63.546 0.000257905 -3.52163 63.546000 Cu 0.459926 0.337474 0.5 789 63.546 0.000245109 -3.52164 63.546000 Cu 0.554698 0.309667 1 758 63.546 5.88842e-05 -3.52156 63.546000 Cu 0.520322 0.33103 1 791 63.546 0.000125621 -3.52162 63.546000 Cu 0.606671 0.33948 3.40965e-16 792 63.546 0.000164512 -3.52139 63.546000 Cu 0.580724 0.324581 0.5 793 63.546 5.41293e-05 -3.52159 63.546000 Cu 0.64109 0.318143 1 795 63.546 7.5411e-05 -3.52148 63.546000 Cu 0.546192 0.34593 0.5 794 63.546 7.02544e-05 -3.52145 63.546000 Cu 0.6671 0.333063 0.5 798 63.546 0.000304888 -3.52128 63.546000 Cu 0.727414 0.326678 2.88654e-16 796 63.546 0.000156504 -3.52122 63.546000 Cu 0.701427 0.311728 0.5 797 63.546 0.000111831 -3.52131 63.546000 Cu 0.787685 0.320301 0.5 802 63.546 6.90874e-05 -3.52138 63.546000 Cu 0.753272 0.341635 0.5 832 63.546 0.000233492 -3.52086 63.546000 Cu 0.813549 0.335282 1 834 63.546 0.000122379 -3.52127 63.546000 Cu 0.994373 0.316105 0.5 708 63.546 0.00014797 -3.52159 63.546000 Cu 0.959926 0.337474 0.5 709 63.546 0.000245109 -3.52164 63.546000 Cu 0.847938 0.313928 4.48246e-16 800 63.546 2.55258e-05 -3.5214 63.546000 Cu 0.899555 0.343894 1 835 63.546 0.000257905 -3.52163 63.546000 Cu 0.873811 0.328911 0.5 836 63.546 9.52191e-05 -3.52149 63.546000 Cu 0.934086 0.322521 1 838 63.546 0.000150341 -3.52153 63.546000 Cu 0.071992 0.360801 1 742 63.546 0.000115585 -3.52104 63.546000 Cu 0.0114602 0.367272 0.5 744 63.546 0.000145879 -3.52147 63.546000 Cu 0.132469 0.354369 0.5 748 63.546 0.000277276 -3.52087 63.546000 Cu 0.0372564 0.382098 1.56721e-16 775 63.546 0.000199807 -3.52112 63.546000 Cu 0.0978568 0.375644 0.5 777 63.546 0.000690093 -3.52063 63.546000 Cu 0.158293 0.369262 6.03925e-16 779 63.546 0.000875657 -3.52052 63.546000 Cu 0.192925 0.347985 1.34879e-16 746 63.546 0.000354568 -3.52077 63.546000 Cu 0.244259 0.377945 1.14259e-16 780 63.546 0.000233854 -3.52089 63.546000 Cu 0.218627 0.362934 0.5 781 63.546 0.000431927 -3.52075 63.546000 Cu 0.278925 0.356618 6.22777e-16 783 63.546 9.27458e-05 -3.52111 63.546000 Cu 0.304459 0.371638 0.5 786 63.546 0.000261792 -3.52135 63.546000 Cu 0.184059 0.384213 0.5 782 63.546 0.00125549 -3.52039 63.546000 Cu 0.364792 0.365271 2.22053e-17 784 63.546 0.000459525 -3.52173 63.546000 Cu 0.339227 0.350275 0.5 785 63.546 0.000130155 -3.52147 63.546000 Cu 0.485694 0.352397 1.55906e-16 788 63.546 0.000239151 -3.52161 63.546000 Cu 0.425232 0.358852 0.5 790 63.546 0.000466768 -3.52175 63.546000 Cu 0.390318 0.380235 0.5 820 63.546 0.000946752 -3.52196 63.546000 Cu 0.450855 0.373764 1 822 63.546 0.000561423 -3.52171 63.546000 Cu 0.537256 0.382098 4.86448e-16 823 63.546 0.000199807 -3.52112 63.546000 Cu 0.51146 0.367272 0.5 824 63.546 0.000145879 -3.52147 63.546000 Cu 0.571992 0.360801 4.16539e-16 826 63.546 0.000115585 -3.52104 63.546000 Cu 0.658293 0.369262 2.22053e-17 827 63.546 0.000875657 -3.52052 63.546000 Cu 0.632469 0.354369 0.5 828 63.546 0.000277276 -3.52087 63.546000 Cu 0.597857 0.375644 0.5 829 63.546 0.000690093 -3.52063 63.546000 Cu 0.692925 0.347985 1 830 63.546 0.000354568 -3.52077 63.546000 Cu 0.778925 0.356618 1 831 63.546 9.27458e-05 -3.52111 63.546000 Cu 0.718627 0.362934 0.5 833 63.546 0.000431927 -3.52075 63.546000 Cu 0.744259 0.377945 1 865 63.546 0.000233854 -3.52089 63.546000 Cu 0.804459 0.371638 0.5 867 63.546 0.000261792 -3.52135 63.546000 Cu 0.684059 0.384213 0.5 863 63.546 0.00125549 -3.52039 63.546000 Cu 0.950855 0.373764 1.51797e-16 740 63.546 0.000561423 -3.52171 63.546000 Cu 0.985694 0.352397 3.41358e-16 741 63.546 0.000239151 -3.52161 63.546000 Cu 0.839227 0.350275 0.5 837 63.546 0.000130155 -3.52147 63.546000 Cu 0.864792 0.365271 4.78382e-16 869 63.546 0.000459525 -3.52173 63.546000 Cu 0.925232 0.358852 0.5 870 63.546 0.000466768 -3.52175 63.546000 Cu 0.890318 0.380235 0.5 871 63.546 0.000946752 -3.52196 63.546000 Cu 0.00247843 0.403376 1 773 63.546 0.000319076 -3.52122 63.546000 Cu 0.123709 0.390499 1 776 63.546 0.0023936 -3.52013 63.546000 Cu 0.0631528 0.396882 0.5 778 63.546 0.00139759 -3.52054 63.546000 Cu 0.0284766 0.418094 0.5 808 63.546 0.00266123 -3.51998 63.546000 Cu 0.0891293 0.411682 1 810 63.546 0.0060427 -3.51943 63.546000 Cu 0.149453 0.405446 0.5 812 63.546 0.00342968 -3.51965 63.546000 Cu 0.174836 0.420543 1 811 63.546 0.00220623 -3.51943 63.546000 Cu 0.209561 0.39926 1 814 63.546 0.000661476 -3.52061 63.546000 Cu 0.295001 0.408117 1 815 63.546 0.00322371 -3.52252 63.546000 Cu 0.269732 0.393012 0.5 816 63.546 0.000593599 -3.52159 63.546000 Cu 0.234838 0.414406 0.5 817 63.546 0.00147532 -3.52138 63.546000 Cu 0.329933 0.386664 1.3512e-16 818 63.546 0.00101645 -3.52195 63.546000 Cu 0.415927 0.395147 1 819 63.546 0.00140323 -3.52186 63.546000 Cu 0.35538 0.401675 0.5 821 63.546 0.00300175 -3.5224 63.546000 Cu 0.476563 0.388604 0.5 825 63.546 0.000402284 -3.52146 63.546000 Cu 0.380912 0.416549 3.53775e-17 853 63.546 0.00249598 -3.52138 63.546000 Cu 0.441714 0.409944 0.5 855 63.546 0.000600467 -3.5212 63.546000 Cu 0.502478 0.403376 1 857 63.546 0.000319076 -3.52122 63.546000 Cu 0.589129 0.411682 1 858 63.546 0.0060427 -3.51943 63.546000 Cu 0.563153 0.396882 0.5 859 63.546 0.00139759 -3.52054 63.546000 Cu 0.528477 0.418094 0.5 860 63.546 0.00266123 -3.51998 63.546000 Cu 0.623709 0.390499 1 861 63.546 0.0023936 -3.52013 63.546000 Cu 0.649453 0.405446 0.5 864 63.546 0.00342968 -3.51965 63.546000 Cu 0.709561 0.39926 3.48291e-16 862 63.546 0.000661476 -3.52061 63.546000 Cu 0.829933 0.386664 1.40483e-18 866 63.546 0.00101645 -3.52195 63.546000 Cu 0.769732 0.393012 0.5 868 63.546 0.000593599 -3.52159 63.546000 Cu 0.674836 0.420543 2.62431e-16 893 63.546 0.00220623 -3.51943 63.546000 Cu 0.734838 0.414406 0.5 895 63.546 0.00147532 -3.52138 63.546000 Cu 0.795001 0.408117 1 897 63.546 0.00322371 -3.52252 63.546000 Cu 0.976563 0.388604 0.5 774 63.546 0.000402284 -3.52146 63.546000 Cu 0.880912 0.416549 1 898 63.546 0.00249598 -3.52138 63.546000 Cu 0.85538 0.401675 0.5 899 63.546 0.00300175 -3.5224 63.546000 Cu 0.915927 0.395147 1.68927e-16 901 63.546 0.00140323 -3.52186 63.546000 Cu 0.941714 0.409944 0.5 902 63.546 0.000600467 -3.5212 63.546000 Cu 0.0545126 0.432792 2.89425e-17 807 63.546 0.0149296 -3.5171 63.546000 Cu 0.114813 0.426632 0.5 813 63.546 0.00805053 -3.5183 63.546000 Cu 0.0199813 0.453722 1.55739e-17 841 63.546 0.051607 -3.51202 63.546000 Cu 0.0801972 0.447748 0.5 843 63.546 0.0178319 -3.51737 63.546000 Cu 0.140123 0.441778 1 845 63.546 0.00801727 -3.51691 63.546000 Cu 0.164809 0.457295 0.5 848 63.546 0.00772262 -3.51307 63.546000 Cu 0.224358 0.451204 1 846 63.546 0.0241381 -3.52178 63.546000 Cu 0.199764 0.435823 0.5 847 63.546 0.00335068 -3.51967 63.546000 Cu 0.259756 0.429612 1 849 63.546 0.00898852 -3.52262 63.546000 Cu 0.320151 0.423152 0.5 851 63.546 0.00800696 -3.52249 63.546000 Cu 0.284571 0.444712 0.5 852 63.546 0.023802 -3.52236 63.546000 Cu 0.30979 0.459411 1.15282e-15 881 63.546 0.0138563 -3.51245 63.546000 Cu 0.345509 0.437964 5.64997e-16 850 63.546 0.00436972 -3.52003 63.546000 Cu 0.467586 0.424652 1 854 63.546 0.000562907 -3.52124 63.546000 Cu 0.406625 0.431269 0.5 856 63.546 0.000698252 -3.52081 63.546000 Cu 0.371335 0.452555 0.5 883 63.546 0.00385692 -3.51813 63.546000 Cu 0.432353 0.445931 1.89123e-17 885 63.546 0.0033446 -3.52175 63.546000 Cu 0.493561 0.439248 0.5 887 63.546 0.00569127 -3.51877 63.546000 Cu 0.458142 0.460311 0.5 888 63.546 0.0199632 -3.51287 63.546000 Cu 0.519981 0.453722 1 886 63.546 0.051607 -3.51202 63.546000 Cu 0.554513 0.432792 1 889 63.546 0.0149296 -3.5171 63.546000 Cu 0.640123 0.441778 1 890 63.546 0.00801727 -3.51691 63.546000 Cu 0.614813 0.426632 0.5 891 63.546 0.00805053 -3.5183 63.546000 Cu 0.580197 0.447748 0.5 892 63.546 0.0178319 -3.51737 63.546000 Cu 0.664809 0.457295 0.5 913 63.546 0.00772262 -3.51307 63.546000 Cu 0.759756 0.429612 1 894 63.546 0.00898852 -3.52262 63.546000 Cu 0.699764 0.435823 0.5 896 63.546 0.00335068 -3.51967 63.546000 Cu 0.820151 0.423152 0.5 900 63.546 0.00800696 -3.52249 63.546000 Cu 0.724358 0.451204 3.24893e-16 915 63.546 0.0241381 -3.52178 63.546000 Cu 0.80979 0.459411 1 916 63.546 0.0138563 -3.51245 63.546000 Cu 0.784571 0.444712 0.5 917 63.546 0.023802 -3.52236 63.546000 Cu 0.967586 0.424652 5.69333e-17 806 63.546 0.000562907 -3.52124 63.546000 Cu 0.993561 0.439248 0.5 809 63.546 0.00569127 -3.51877 63.546000 Cu 0.845509 0.437964 1 919 63.546 0.00436972 -3.52003 63.546000 Cu 0.932353 0.445931 1 920 63.546 0.0033446 -3.52175 63.546000 Cu 0.906625 0.431269 0.5 921 63.546 0.000698252 -3.52081 63.546000 Cu 0.871335 0.452555 0.5 922 63.546 0.00385692 -3.51813 63.546000 Cu 0.958142 0.460311 0.5 840 63.546 0.0199632 -3.51287 63.546000 Cu 0.105661 0.462913 1 842 63.546 0.0394354 -3.51126 63.546000 Cu 0.0451438 0.468781 0.5 844 63.546 0.0548206 -3.50375 63.546000 Cu 0.0116846 0.490699 0.5 873 63.546 3.05182 -3.45625 63.546000 Cu 0.0701502 0.483467 2.53564e-16 874 63.546 2.14669 -3.36638 63.546000 Cu 0.150974 0.493712 4.98125e-16 875 63.546 11.4136 -3.30734 63.546000 Cu 0.129587 0.478849 0.5 876 63.546 0.664322 -3.45665 63.546000 Cu 0.189198 0.472955 1 877 63.546 0.117993 -3.49577 63.546000 Cu 0.27355 0.48095 1 878 63.546 0.444173 -3.45954 63.546000 Cu 0.248745 0.466563 0.5 879 63.546 0.136281 -3.51355 63.546000 Cu 0.213377 0.48992 0.5 880 63.546 4.23147 -3.44905 63.546000 Cu 0.302756 0.49385 0.5 903 63.546 9.32994 -3.23331 63.546000 Cu 0.396723 0.467365 7.78697e-17 882 63.546 0.0693614 -3.51787 63.546000 Cu 0.336706 0.47369 0.5 884 63.546 0.171411 -3.48085 63.546000 Cu 0.362413 0.490119 1 904 63.546 3.43988 -3.4724 63.546000 Cu 0.421984 0.481353 0.5 906 63.546 0.446064 -3.46005 63.546000 Cu 0.485786 0.474359 5.7746e-16 907 63.546 0.294329 -3.4695 63.546000 Cu 0.451248 0.49397 2.70724e-16 905 63.546 8.50857 -3.22305 63.546000 Cu 0.57015 0.483467 9.56793e-17 908 63.546 2.14669 -3.36638 63.546000 Cu 0.545144 0.468781 0.5 909 63.546 0.0548206 -3.50375 63.546000 Cu 0.511685 0.490699 0.5 910 63.546 3.05182 -3.45625 63.546000 Cu 0.605661 0.462913 3.83624e-16 911 63.546 0.0394354 -3.51126 63.546000 Cu 0.629587 0.478849 0.5 914 63.546 0.664322 -3.45665 63.546000 Cu 0.650974 0.493712 5.10119e-17 923 63.546 11.4136 -3.30734 63.546000 Cu 0.689198 0.472955 1.85498e-17 912 63.546 0.117993 -3.49577 63.546000 Cu 0.748745 0.466563 0.5 918 63.546 0.136281 -3.51355 63.546000 Cu 0.713377 0.48992 0.5 924 63.546 4.23147 -3.44905 63.546000 Cu 0.77355 0.48095 1 925 63.546 0.444173 -3.45954 63.546000 Cu 0.802756 0.49385 0.5 928 63.546 9.32994 -3.23331 63.546000 Cu 0.985786 0.474359 1 839 63.546 0.294329 -3.4695 63.546000 Cu 0.862413 0.490119 1 926 63.546 3.43988 -3.4724 63.546000 Cu 0.836706 0.47369 0.5 927 63.546 0.171411 -3.48085 63.546000 Cu 0.896723 0.467365 1 929 63.546 0.0693614 -3.51787 63.546000 Cu 0.921984 0.481353 0.5 930 63.546 0.446064 -3.46005 63.546000 Cu 0.951248 0.49397 1 872 63.546 8.50857 -3.22305 63.546000 Cu 0.0227596 0.518243 0.5 3 63.546 1.20819 -3.46065 63.546000 Cu 0.0438589 0.503996 7.97126e-17 43 63.546 10.4981 -3.31936 63.546000 Cu 0.084214 0.523721 3.18624e-16 44 63.546 0.182241 -3.48794 63.546000 Cu 0.10828 0.506351 0.5 45 63.546 7.62751 -3.45048 63.546000 Cu 0.14282 0.529502 0.5 49 63.546 0.0658922 -3.49353 63.546000 Cu 0.253391 0.504571 1 18 63.546 8.05963 -3.44667 63.546000 Cu 0.316007 0.514492 0.5 21 63.546 6.30001 -3.28309 63.546000 Cu 0.16886 0.514808 5.58744e-16 46 63.546 3.49639 -3.33868 63.546000 Cu 0.202462 0.536021 1 47 63.546 0.0279022 -3.50713 63.546000 Cu 0.228089 0.520047 0.5 48 63.546 1.36011 -3.4459 63.546000 Cu 0.287053 0.527822 5.93457e-16 50 63.546 0.136522 -3.47857 63.546000 Cu 0.374435 0.51945 3.20286e-16 19 63.546 1.43258 -3.45404 63.546000 Cu 0.401049 0.504462 0.5 20 63.546 7.91429 -3.48546 63.546000 Cu 0.461927 0.514361 1 22 63.546 6.92863 -3.25261 63.546000 Cu 0.499344 0.533902 1.28005e-16 23 63.546 0.285521 -3.48736 63.546000 Cu 0.434492 0.527237 0.5 25 63.546 0.200612 -3.46472 63.546000 Cu 0.349284 0.535045 0.5 52 63.546 0.0728802 -3.49574 63.546000 Cu 0.543859 0.503996 1 4 63.546 10.4981 -3.31936 63.546000 Cu 0.60828 0.506351 0.5 6 63.546 7.62751 -3.45048 63.546000 Cu 0.52276 0.518243 0.5 24 63.546 1.20819 -3.46065 63.546000 Cu 0.584214 0.523721 9.56038e-17 26 63.546 0.182241 -3.48794 63.546000 Cu 0.64282 0.529502 0.5 28 63.546 0.0658922 -3.49353 63.546000 Cu 0.66886 0.514808 2.22053e-17 5 63.546 3.49639 -3.33868 63.546000 Cu 0.753391 0.504571 3.18851e-16 7 63.546 8.05963 -3.44667 63.546000 Cu 0.787053 0.527822 1.28066e-16 8 63.546 0.136522 -3.47857 63.546000 Cu 0.816007 0.514492 0.5 9 63.546 6.30001 -3.28309 63.546000 Cu 0.728089 0.520047 0.5 10 63.546 1.36011 -3.4459 63.546000 Cu 0.702462 0.536021 6.04227e-20 30 63.546 0.0279022 -3.50713 63.546000 Cu 0.961927 0.514361 1 1 63.546 6.92863 -3.25261 63.546000 Cu 0.901049 0.504462 0.5 2 63.546 7.91429 -3.48546 63.546000 Cu 0.874435 0.51945 1 11 63.546 1.43258 -3.45404 63.546000 Cu 0.934492 0.527237 0.5 13 63.546 0.200612 -3.46472 63.546000 Cu 0.849284 0.535045 0.5 14 63.546 0.0728802 -3.49574 63.546000 Cu 0.999344 0.533902 1 15 63.546 0.285521 -3.48736 63.546000 Cu 0.0588752 0.539283 0.5 76 63.546 0.0300169 -3.5091 63.546000 Cu 0.0330722 0.554566 2.80965e-17 16 63.546 0.0477484 -3.51022 63.546000 Cu 0.00656619 0.569223 0.5 40 63.546 0.0057682 -3.51889 63.546000 Cu 0.118062 0.54514 2.18443e-16 77 63.546 0.005234 -3.51808 63.546000 Cu 0.152549 0.566541 1 78 63.546 0.00170855 -3.5206 63.546000 Cu 0.0928368 0.560511 0.5 80 63.546 0.0087115 -3.51674 63.546000 Cu 0.0671958 0.575595 2.20543e-18 109 63.546 0.0120542 -3.51709 63.546000 Cu 0.323261 0.549371 9.44104e-17 51 63.546 0.00863221 -3.51675 63.546000 Cu 0.262261 0.542453 0.5 53 63.546 0.0496687 -3.52072 63.546000 Cu 0.177354 0.551239 0.5 79 63.546 0.00698883 -3.51853 63.546000 Cu 0.237497 0.557592 4.93955e-17 81 63.546 0.00791086 -3.5222 63.546000 Cu 0.298029 0.564091 0.5 83 63.546 0.00935905 -3.52317 63.546000 Cu 0.212544 0.572727 0.5 84 63.546 0.00264752 -3.52183 63.546000 Cu 0.410341 0.541382 1 54 63.546 0.0260197 -3.52314 63.546000 Cu 0.44579 0.562643 7.12595e-16 55 63.546 0.001241 -3.52221 63.546000 Cu 0.47191 0.548094 0.5 56 63.546 0.0218341 -3.5189 63.546000 Cu 0.384841 0.556098 0.5 57 63.546 0.00259055 -3.52065 63.546000 Cu 0.358926 0.570747 1.2074e-16 85 63.546 0.002355 -3.52136 63.546000 Cu 0.558875 0.539283 0.5 29 63.546 0.0300169 -3.5091 63.546000 Cu 0.618062 0.54514 1.32008e-16 27 63.546 0.005234 -3.51808 63.546000 Cu 0.533072 0.554566 2.19908e-16 58 63.546 0.0477484 -3.51022 63.546000 Cu 0.567196 0.575595 1 59 63.546 0.0120542 -3.51709 63.546000 Cu 0.592837 0.560511 0.5 60 63.546 0.0087115 -3.51674 63.546000 Cu 0.506566 0.569223 0.5 61 63.546 0.0057682 -3.51889 63.546000 Cu 0.652549 0.566541 2.5373e-16 62 63.546 0.00170855 -3.5206 63.546000 Cu 0.737497 0.557592 1 31 63.546 0.00791086 -3.5222 63.546000 Cu 0.762261 0.542453 0.5 32 63.546 0.0496687 -3.52072 63.546000 Cu 0.677354 0.551239 0.5 33 63.546 0.00698883 -3.51853 63.546000 Cu 0.823261 0.549371 5.98562e-16 34 63.546 0.00863221 -3.51675 63.546000 Cu 0.798029 0.564091 0.5 37 63.546 0.00935905 -3.52317 63.546000 Cu 0.712544 0.572727 0.5 64 63.546 0.00264752 -3.52183 63.546000 Cu 0.910341 0.541382 1 12 63.546 0.0260197 -3.52314 63.546000 Cu 0.97191 0.548094 0.5 17 63.546 0.0218341 -3.5189 63.546000 Cu 0.858926 0.570747 4.51116e-16 35 63.546 0.002355 -3.52136 63.546000 Cu 0.884841 0.556098 0.5 36 63.546 0.00259055 -3.52065 63.546000 Cu 0.94579 0.562643 1 38 63.546 0.001241 -3.52221 63.546000 Cu 0.0412018 0.590398 0.5 42 63.546 0.0026665 -3.51984 63.546000 Cu 0.0152812 0.605184 1 74 63.546 0.000415949 -3.52111 63.546000 Cu 0.101667 0.596735 1 110 63.546 0.00311632 -3.51958 63.546000 Cu 0.127297 0.581728 0.5 111 63.546 0.0029243 -3.51958 63.546000 Cu 0.161958 0.602972 0.5 115 63.546 0.00108812 -3.52037 63.546000 Cu 0.0758466 0.611615 0.5 143 63.546 0.00120688 -3.52047 63.546000 Cu 0.272846 0.579078 2.71736e-16 82 63.546 0.00387454 -3.52263 63.546000 Cu 0.187382 0.587887 1 112 63.546 0.000538844 -3.52126 63.546000 Cu 0.222076 0.609213 7.32867e-16 113 63.546 0.000252218 -3.52106 63.546000 Cu 0.247511 0.59414 0.5 114 63.546 0.00142808 -3.52178 63.546000 Cu 0.307824 0.600527 1.81057e-16 116 63.546 0.00145167 -3.52214 63.546000 Cu 0.4198 0.577355 0.5 87 63.546 0.000440419 -3.52091 63.546000 Cu 0.393932 0.592136 5.26765e-16 86 63.546 0.000816968 -3.52153 63.546000 Cu 0.333334 0.585569 0.5 88 63.546 0.00259478 -3.52237 63.546000 Cu 0.480546 0.583912 5.97611e-16 89 63.546 0.000391225 -3.52121 63.546000 Cu 0.454604 0.598677 0.5 92 63.546 0.000197284 -3.5214 63.546000 Cu 0.368249 0.607003 0.5 118 63.546 0.000823374 -3.52183 63.546000 Cu 0.428809 0.613493 2.55407e-16 120 63.546 0.000531053 -3.52168 63.546000 Cu 0.627297 0.581728 0.5 65 63.546 0.0029243 -3.51958 63.546000 Cu 0.515281 0.605184 2.43232e-16 90 63.546 0.000415949 -3.52111 63.546000 Cu 0.541202 0.590398 0.5 91 63.546 0.0026665 -3.51984 63.546000 Cu 0.601667 0.596735 1 93 63.546 0.00311632 -3.51958 63.546000 Cu 0.661958 0.602972 0.5 95 63.546 0.00108812 -3.52037 63.546000 Cu 0.575847 0.611615 0.5 96 63.546 0.00120688 -3.52047 63.546000 Cu 0.687382 0.587887 2.49893e-16 63 63.546 0.000538844 -3.52126 63.546000 Cu 0.772846 0.579078 1 66 63.546 0.00387454 -3.52263 63.546000 Cu 0.807824 0.600527 1 67 63.546 0.00145167 -3.52214 63.546000 Cu 0.747511 0.59414 0.5 69 63.546 0.00142808 -3.52178 63.546000 Cu 0.722076 0.609213 2.19863e-16 97 63.546 0.000252218 -3.52106 63.546000 Cu 0.9198 0.577355 0.5 41 63.546 0.000440419 -3.52091 63.546000 Cu 0.980546 0.583912 1.71751e-16 39 63.546 0.000391225 -3.52121 63.546000 Cu 0.833334 0.585569 0.5 68 63.546 0.00259478 -3.52237 63.546000 Cu 0.893932 0.592136 4.95572e-16 70 63.546 0.000816968 -3.52153 63.546000 Cu 0.928809 0.613493 1.98443e-16 71 63.546 0.000531053 -3.52168 63.546000 Cu 0.954604 0.598677 0.5 72 63.546 0.000197284 -3.5214 63.546000 Cu 0.868249 0.607003 0.5 73 63.546 0.000823374 -3.52183 63.546000 Cu 0.0240792 0.641316 0.5 107 63.546 8.10613e-05 -3.52162 63.546000 Cu 0.0499878 0.626459 1 142 63.546 0.00032879 -3.52113 63.546000 Cu 0.136281 0.617955 1 144 63.546 0.00114296 -3.52019 63.546000 Cu 0.110462 0.632862 0.5 147 63.546 0.000518612 -3.52065 63.546000 Cu 0.0845361 0.64776 1.27703e-16 176 63.546 0.000215344 -3.52119 63.546000 Cu 0.282329 0.61553 0.5 119 63.546 0.000730476 -3.5217 63.546000 Cu 0.170782 0.639214 1 145 63.546 0.00025136 -3.52069 63.546000 Cu 0.196557 0.624251 0.5 146 63.546 0.000480411 -3.52067 63.546000 Cu 0.256779 0.630559 1.40634e-16 148 63.546 0.00014271 -3.52133 63.546000 Cu 0.291359 0.651906 1 149 63.546 0.000102684 -3.52136 63.546000 Cu 0.31704 0.636913 0.5 150 63.546 0.000335788 -3.52151 63.546000 Cu 0.231094 0.645559 0.5 151 63.546 0.000179258 -3.52111 63.546000 Cu 0.34265 0.621943 6.719e-17 117 63.546 0.000507633 -3.52179 63.546000 Cu 0.463588 0.634845 1 121 63.546 0.000269799 -3.52165 63.546000 Cu 0.489419 0.619991 0.5 122 63.546 0.000116855 -3.5214 63.546000 Cu 0.403095 0.628399 0.5 123 63.546 0.000231424 -3.52178 63.546000 Cu 0.37739 0.643323 1 152 63.546 0.000253147 -3.52164 63.546000 Cu 0.437812 0.649761 0.5 154 63.546 0.000149351 -3.52166 63.546000 Cu 0.636281 0.617955 2.00316e-16 94 63.546 0.00114296 -3.52019 63.546000 Cu 0.549988 0.626459 1 124 63.546 0.00032879 -3.52113 63.546000 Cu 0.584536 0.64776 2.22507e-16 125 63.546 0.000215344 -3.52119 63.546000 Cu 0.610462 0.632862 0.5 126 63.546 0.000518612 -3.52065 63.546000 Cu 0.524079 0.641316 0.5 127 63.546 8.10613e-05 -3.52162 63.546000 Cu 0.782329 0.61553 0.5 99 63.546 0.000730476 -3.5217 63.546000 Cu 0.756779 0.630559 1 98 63.546 0.00014271 -3.52133 63.546000 Cu 0.696557 0.624251 0.5 100 63.546 0.000480411 -3.52067 63.546000 Cu 0.81704 0.636913 0.5 104 63.546 0.000335788 -3.52151 63.546000 Cu 0.670782 0.639214 1.01087e-16 128 63.546 0.00025136 -3.52069 63.546000 Cu 0.731094 0.645559 0.5 130 63.546 0.000179258 -3.52111 63.546000 Cu 0.791359 0.651906 1 132 63.546 0.000102684 -3.52136 63.546000 Cu 0.989419 0.619991 0.5 75 63.546 0.000116855 -3.5214 63.546000 Cu 0.84265 0.621943 1 101 63.546 0.000507633 -3.52179 63.546000 Cu 0.87739 0.643323 2.92597e-17 102 63.546 0.000253147 -3.52164 63.546000 Cu 0.903095 0.628399 0.5 103 63.546 0.000231424 -3.52178 63.546000 Cu 0.963588 0.634845 1 105 63.546 0.000269799 -3.52165 63.546000 Cu 0.937812 0.649761 0.5 108 63.546 0.000149351 -3.52166 63.546000 Cu 0.144909 0.654147 0.5 178 63.546 0.000114514 -3.52103 63.546000 Cu 0.0326661 0.677569 2.03111e-16 140 63.546 2.7484e-05 -3.52155 63.546000 Cu 0.118986 0.669073 1 177 63.546 7.93717e-05 -3.52121 63.546000 Cu 0.0586152 0.662656 0.5 179 63.546 6.27997e-05 -3.52136 63.546000 Cu 0.0930106 0.683998 0.5 210 63.546 4.01632e-05 -3.52143 63.546000 Cu 0.153319 0.690407 2.74666e-16 211 63.546 2.49614e-05 -3.52136 63.546000 Cu 0.205248 0.660518 2.55135e-17 180 63.546 9.79197e-05 -3.52119 63.546000 Cu 0.239583 0.68185 1.92507e-16 181 63.546 2.11244e-05 -3.5212 63.546000 Cu 0.265531 0.66689 0.5 182 63.546 6.91692e-05 -3.52118 63.546000 Cu 0.179312 0.675467 0.5 183 63.546 6.0541e-05 -3.52123 63.546000 Cu 0.325783 0.673264 1 184 63.546 3.67342e-05 -3.52145 63.546000 Cu 0.299838 0.688238 0.5 187 63.546 4.78561e-06 -3.52136 63.546000 Cu 0.411961 0.664699 2.23866e-17 153 63.546 0.000122437 -3.52166 63.546000 Cu 0.35163 0.65829 0.5 155 63.546 0.000119389 -3.52167 63.546000 Cu 0.498211 0.65621 1 156 63.546 5.87702e-05 -3.52157 63.546000 Cu 0.472325 0.671127 0.5 159 63.546 9.97301e-05 -3.52156 63.546000 Cu 0.386056 0.679659 0.5 186 63.546 4.61177e-05 -3.52161 63.546000 Cu 0.44635 0.686068 2.43806e-17 188 63.546 6.68111e-05 -3.52152 63.546000 Cu 0.644909 0.654147 0.5 131 63.546 0.000114514 -3.52103 63.546000 Cu 0.532666 0.677569 1 157 63.546 2.7484e-05 -3.52155 63.546000 Cu 0.558615 0.662656 0.5 158 63.546 6.27997e-05 -3.52136 63.546000 Cu 0.618986 0.669073 1.63443e-16 160 63.546 7.93717e-05 -3.52121 63.546000 Cu 0.653319 0.690407 1.80407e-16 161 63.546 2.49614e-05 -3.52136 63.546000 Cu 0.593011 0.683998 0.5 163 63.546 4.01632e-05 -3.52143 63.546000 Cu 0.705248 0.660518 4.3453e-16 129 63.546 9.79197e-05 -3.52119 63.546000 Cu 0.825783 0.673264 5.18381e-16 133 63.546 3.67342e-05 -3.52145 63.546000 Cu 0.765531 0.66689 0.5 135 63.546 6.91692e-05 -3.52118 63.546000 Cu 0.679312 0.675467 0.5 162 63.546 6.0541e-05 -3.52123 63.546000 Cu 0.739583 0.68185 3.9817e-16 164 63.546 2.11244e-05 -3.5212 63.546000 Cu 0.799838 0.688238 0.5 166 63.546 4.78561e-06 -3.52136 63.546000 Cu 0.998211 0.65621 1.80875e-16 106 63.546 5.87702e-05 -3.52157 63.546000 Cu 0.85163 0.65829 0.5 134 63.546 0.000119389 -3.52167 63.546000 Cu 0.911961 0.664699 2.95301e-16 136 63.546 0.000122437 -3.52166 63.546000 Cu 0.94635 0.686068 1 137 63.546 6.68111e-05 -3.52152 63.546000 Cu 0.972325 0.671127 0.5 138 63.546 9.97301e-05 -3.52156 63.546000 Cu 0.886056 0.679659 0.5 139 63.546 4.61177e-05 -3.52161 63.546000 Cu 0.00665508 0.692495 0.5 141 63.546 2.98342e-05 -3.52158 63.546000 Cu 0.0150177 0.728811 2.70271e-16 173 63.546 2.12514e-05 -3.52143 63.546000 Cu 0.0409859 0.713868 0.5 174 63.546 1.0005e-05 -3.52149 63.546000 Cu 0.0669888 0.698931 2.22053e-17 209 63.546 9.9167e-06 -3.52158 63.546000 Cu 0.127319 0.705353 0.5 214 63.546 1.44597e-05 -3.52149 63.546000 Cu 0.10132 0.720296 4.30466e-16 242 63.546 5.82858e-06 -3.52141 63.546000 Cu 0.161642 0.726716 0.5 244 63.546 1.26738e-05 -3.52144 63.546000 Cu 0.187633 0.711764 1 212 63.546 1.57675e-05 -3.52147 63.546000 Cu 0.213621 0.69681 0.5 213 63.546 2.67447e-05 -3.52133 63.546000 Cu 0.273889 0.703204 1 215 63.546 7.07556e-06 -3.52134 63.546000 Cu 0.308225 0.724574 4.92868e-16 216 63.546 1.17565e-05 -3.52159 63.546000 Cu 0.247929 0.718171 0.5 218 63.546 1.7262e-05 -3.52157 63.546000 Cu 0.36012 0.69463 1 185 63.546 3.74761e-06 -3.52139 63.546000 Cu 0.480673 0.707438 1 189 63.546 4.60189e-05 -3.52148 63.546000 Cu 0.420387 0.701023 0.5 191 63.546 4.15088e-05 -3.52135 63.546000 Cu 0.334165 0.709596 0.5 217 63.546 6.83123e-06 -3.5214 63.546000 Cu 0.39444 0.715992 1 219 63.546 1.10772e-05 -3.52139 63.546000 Cu 0.454722 0.722395 0.5 221 63.546 2.99436e-05 -3.52144 63.546000 Cu 0.506655 0.692495 0.5 190 63.546 2.98342e-05 -3.52158 63.546000 Cu 0.566989 0.698931 1 192 63.546 9.9167e-06 -3.52158 63.546000 Cu 0.60132 0.720296 1.43806e-17 193 63.546 5.82858e-06 -3.52141 63.546000 Cu 0.627319 0.705353 0.5 194 63.546 1.44597e-05 -3.52149 63.546000 Cu 0.540986 0.713868 0.5 195 63.546 1.0005e-05 -3.52149 63.546000 Cu 0.661642 0.726716 0.5 199 63.546 1.26738e-05 -3.52144 63.546000 Cu 0.515018 0.728811 2.48488e-16 223 63.546 2.12514e-05 -3.52143 63.546000 Cu 0.773889 0.703204 1 165 63.546 7.07556e-06 -3.52134 63.546000 Cu 0.713621 0.69681 0.5 167 63.546 2.67447e-05 -3.52133 63.546000 Cu 0.687633 0.711764 1 196 63.546 1.57675e-05 -3.52147 63.546000 Cu 0.747929 0.718171 0.5 198 63.546 1.7262e-05 -3.52157 63.546000 Cu 0.808225 0.724574 4.30194e-16 200 63.546 1.17565e-05 -3.52159 63.546000 Cu 0.86012 0.69463 1.10377e-16 168 63.546 3.74761e-06 -3.52139 63.546000 Cu 0.89444 0.715992 4.29741e-16 169 63.546 1.10772e-05 -3.52139 63.546000 Cu 0.920387 0.701023 0.5 170 63.546 4.15088e-05 -3.52135 63.546000 Cu 0.834165 0.709596 0.5 171 63.546 6.83123e-06 -3.5214 63.546000 Cu 0.980673 0.707438 1 172 63.546 4.60189e-05 -3.52148 63.546000 Cu 0.954722 0.722395 0.5 175 63.546 2.99436e-05 -3.52144 63.546000 Cu 0.0233839 0.765129 0.5 208 63.546 3.10981e-05 -3.52143 63.546000 Cu 0.135665 0.741657 1 243 63.546 1.64286e-06 -3.52128 63.546000 Cu 0.0753361 0.735234 0.5 245 63.546 2.99766e-06 -3.52134 63.546000 Cu 0.0493517 0.750175 2.22053e-17 275 63.546 1.84487e-05 -3.52135 63.546000 Cu 0.109675 0.756593 0.5 277 63.546 1.36919e-05 -3.52131 63.546000 Cu 0.221963 0.733135 2.20588e-16 246 63.546 3.25189e-05 -3.52151 63.546000 Cu 0.25631 0.754494 1 247 63.546 2.6709e-05 -3.52117 63.546000 Cu 0.282268 0.739545 0.5 248 63.546 4.73836e-05 -3.52141 63.546000 Cu 0.195996 0.74808 0.5 249 63.546 1.387e-05 -3.52127 63.546000 Cu 0.3166 0.760895 0.5 253 63.546 1.44884e-05 -3.52109 63.546000 Cu 0.170007 0.763014 1 278 63.546 6.40643e-06 -3.52129 63.546000 Cu 0.368499 0.730966 0.5 222 63.546 2.18441e-06 -3.52146 63.546000 Cu 0.428768 0.737361 2.81011e-16 220 63.546 1.3798e-05 -3.52141 63.546000 Cu 0.48905 0.743764 0.5 226 63.546 1.97717e-05 -3.5214 63.546000 Cu 0.342551 0.74594 1.93202e-17 250 63.546 2.23776e-05 -3.52125 63.546000 Cu 0.376877 0.767288 1 251 63.546 2.05369e-05 -3.52121 63.546000 Cu 0.402817 0.752328 0.5 252 63.546 3.16152e-06 -3.52121 63.546000 Cu 0.463091 0.758722 1 254 63.546 1.91875e-05 -3.52131 63.546000 Cu 0.549352 0.750175 4.26358e-16 224 63.546 1.84487e-05 -3.52135 63.546000 Cu 0.575336 0.735234 0.5 225 63.546 2.99766e-06 -3.52134 63.546000 Cu 0.635665 0.741657 9.0634e-19 227 63.546 1.64286e-06 -3.52128 63.546000 Cu 0.609675 0.756593 0.5 230 63.546 1.36919e-05 -3.52131 63.546000 Cu 0.523384 0.765129 0.5 256 63.546 3.10981e-05 -3.52143 63.546000 Cu 0.721963 0.733135 2.26661e-16 197 63.546 3.25189e-05 -3.52151 63.546000 Cu 0.782268 0.739545 0.5 203 63.546 4.73836e-05 -3.52141 63.546000 Cu 0.670007 0.763014 1 228 63.546 6.40643e-06 -3.52129 63.546000 Cu 0.695996 0.74808 0.5 229 63.546 1.387e-05 -3.52127 63.546000 Cu 0.75631 0.754494 2.68896e-16 231 63.546 2.6709e-05 -3.52117 63.546000 Cu 0.8166 0.760895 0.5 233 63.546 1.44884e-05 -3.52109 63.546000 Cu 0.868499 0.730966 0.5 202 63.546 2.18441e-06 -3.52146 63.546000 Cu 0.842551 0.74594 3.05014e-16 201 63.546 2.23776e-05 -3.52125 63.546000 Cu 0.928768 0.737361 1 204 63.546 1.3798e-05 -3.52141 63.546000 Cu 0.963091 0.758722 1 205 63.546 1.91875e-05 -3.52131 63.546000 Cu 0.98905 0.743764 0.5 206 63.546 1.97717e-05 -3.5214 63.546000 Cu 0.902817 0.752328 0.5 207 63.546 3.16152e-06 -3.52121 63.546000 Cu 0.876877 0.767288 2.22053e-17 235 63.546 2.05369e-05 -3.52121 63.546000 Cu 0.0318426 0.801505 4.78563e-16 240 63.546 8.63552e-06 -3.52156 63.546000 Cu 0.0836916 0.771543 1 276 63.546 3.94167e-05 -3.52147 63.546000 Cu 0.144007 0.77796 0.5 281 63.546 3.34749e-05 -3.52144 63.546000 Cu 0.0577566 0.786518 0.5 308 63.546 8.58552e-06 -3.52159 63.546000 Cu 0.118046 0.792929 1 309 63.546 1.96165e-05 -3.52151 63.546000 Cu 0.204323 0.784381 1 279 63.546 1.12301e-05 -3.52143 63.546000 Cu 0.230331 0.769434 0.5 280 63.546 1.13982e-05 -3.52128 63.546000 Cu 0.290638 0.775847 3.216e-16 282 63.546 2.17621e-05 -3.52133 63.546000 Cu 0.324971 0.797225 3.09107e-16 283 63.546 1.835e-05 -3.52146 63.546000 Cu 0.264646 0.790804 0.5 285 63.546 1.95015e-06 -3.52143 63.546000 Cu 0.178337 0.799341 0.5 311 63.546 2.80919e-05 -3.52143 63.546000 Cu 0.238639 0.805757 6.48184e-17 313 63.546 1.97784e-05 -3.52138 63.546000 Cu 0.49746 0.780102 5.91296e-16 255 63.546 1.46758e-05 -3.52162 63.546000 Cu 0.437162 0.773689 0.5 257 63.546 3.04108e-05 -3.52147 63.546000 Cu 0.350939 0.782257 0.5 284 63.546 2.04611e-05 -3.52152 63.546000 Cu 0.411246 0.788671 1 286 63.546 1.05663e-05 -3.52169 63.546000 Cu 0.47155 0.79509 0.5 288 63.546 8.10173e-06 -3.52169 63.546000 Cu 0.385304 0.803646 0.5 289 63.546 3.98763e-05 -3.52148 63.546000 Cu 0.583692 0.771543 2.79274e-16 258 63.546 3.94167e-05 -3.52147 63.546000 Cu 0.618046 0.792929 3.71192e-16 259 63.546 1.96165e-05 -3.52151 63.546000 Cu 0.644007 0.77796 0.5 260 63.546 3.34749e-05 -3.52144 63.546000 Cu 0.557757 0.786518 0.5 261 63.546 8.58552e-06 -3.52159 63.546000 Cu 0.531843 0.801505 5.30028e-16 290 63.546 8.63552e-06 -3.52156 63.546000 Cu 0.790638 0.775847 3.59998e-16 232 63.546 2.17621e-05 -3.52133 63.546000 Cu 0.730331 0.769434 0.5 234 63.546 1.13982e-05 -3.52128 63.546000 Cu 0.704323 0.784381 1.36087e-16 262 63.546 1.12301e-05 -3.52143 63.546000 Cu 0.738639 0.805757 1 263 63.546 1.97784e-05 -3.52138 63.546000 Cu 0.764646 0.790804 0.5 264 63.546 1.95015e-06 -3.52143 63.546000 Cu 0.678337 0.799341 0.5 265 63.546 2.80919e-05 -3.52143 63.546000 Cu 0.824971 0.797225 1.49984e-16 266 63.546 1.835e-05 -3.52146 63.546000 Cu 0.911246 0.788671 1 236 63.546 1.05663e-05 -3.52169 63.546000 Cu 0.937162 0.773689 0.5 237 63.546 3.04108e-05 -3.52147 63.546000 Cu 0.850939 0.782257 0.5 238 63.546 2.04611e-05 -3.52152 63.546000 Cu 0.99746 0.780102 1.5438e-16 239 63.546 1.46758e-05 -3.52162 63.546000 Cu 0.97155 0.79509 0.5 241 63.546 8.10173e-06 -3.52169 63.546000 Cu 0.885304 0.803646 0.5 268 63.546 3.98763e-05 -3.52148 63.546000 Cu 0.00592244 0.816484 0.5 272 63.546 4.30087e-05 -3.52137 63.546000 Cu 0.0403248 0.837864 0.5 274 63.546 5.93248e-05 -3.52142 63.546000 Cu 0.152395 0.814315 1 310 63.546 1.09438e-05 -3.52134 63.546000 Cu 0.0921204 0.807913 0.5 312 63.546 4.58352e-06 -3.52143 63.546000 Cu 0.066202 0.822891 4.003e-18 341 63.546 2.01856e-05 -3.52138 63.546000 Cu 0.100651 0.84428 1.81268e-19 342 63.546 5.30674e-05 -3.52146 63.546000 Cu 0.126489 0.829292 0.5 343 63.546 1.9616e-05 -3.52135 63.546000 Cu 0.272991 0.827131 1.28746e-16 314 63.546 4.26966e-05 -3.52132 63.546000 Cu 0.298963 0.812176 0.5 315 63.546 8.65331e-06 -3.52135 63.546000 Cu 0.212677 0.820719 0.5 316 63.546 3.94387e-05 -3.52134 63.546000 Cu 0.186786 0.835693 2.24697e-16 344 63.546 3.67925e-05 -3.52128 63.546000 Cu 0.247108 0.842094 0.5 346 63.546 5.58399e-05 -3.52131 63.546000 Cu 0.333319 0.833542 0.5 320 63.546 8.21816e-05 -3.52132 63.546000 Cu 0.445624 0.810067 1.41827e-16 287 63.546 5.24481e-05 -3.52143 63.546000 Cu 0.359306 0.818596 3.90285e-16 317 63.546 2.95782e-06 -3.5213 63.546000 Cu 0.393685 0.839962 1 318 63.546 6.00152e-05 -3.52127 63.546000 Cu 0.419647 0.825018 0.5 319 63.546 7.25877e-06 -3.52123 63.546000 Cu 0.479982 0.83144 2.22053e-17 321 63.546 2.56611e-05 -3.52126 63.546000 Cu 0.566202 0.822891 1 291 63.546 2.01856e-05 -3.52138 63.546000 Cu 0.59212 0.807913 0.5 292 63.546 4.58352e-06 -3.52143 63.546000 Cu 0.505922 0.816484 0.5 293 63.546 4.30087e-05 -3.52137 63.546000 Cu 0.652395 0.814315 1 294 63.546 1.09438e-05 -3.52134 63.546000 Cu 0.626489 0.829292 0.5 297 63.546 1.9616e-05 -3.52135 63.546000 Cu 0.540325 0.837864 0.5 323 63.546 5.93248e-05 -3.52142 63.546000 Cu 0.600651 0.84428 1 325 63.546 5.30674e-05 -3.52146 63.546000 Cu 0.798963 0.812176 0.5 269 63.546 8.65331e-06 -3.52135 63.546000 Cu 0.686786 0.835693 1 295 63.546 3.67925e-05 -3.52128 63.546000 Cu 0.712677 0.820719 0.5 296 63.546 3.94387e-05 -3.52134 63.546000 Cu 0.772991 0.827131 1.0574e-19 298 63.546 4.26966e-05 -3.52132 63.546000 Cu 0.747108 0.842094 0.5 301 63.546 5.58399e-05 -3.52131 63.546000 Cu 0.833319 0.833542 0.5 300 63.546 8.21816e-05 -3.52132 63.546000 Cu 0.859306 0.818596 1 267 63.546 2.95782e-06 -3.5213 63.546000 Cu 0.945624 0.810067 2.22053e-17 270 63.546 5.24481e-05 -3.52143 63.546000 Cu 0.979982 0.83144 9.64648e-17 271 63.546 2.56611e-05 -3.52126 63.546000 Cu 0.919647 0.825018 0.5 273 63.546 7.25877e-06 -3.52123 63.546000 Cu 0.893685 0.839962 1 302 63.546 6.00152e-05 -3.52127 63.546000 Cu 0.0144521 0.85282 1 306 63.546 1.28696e-05 -3.52134 63.546000 Cu 0.160966 0.850681 0.5 347 63.546 2.64212e-05 -3.52139 63.546000 Cu 0.0490064 0.874215 4.1737e-17 374 63.546 9.61409e-06 -3.52135 63.546000 Cu 0.0748449 0.859259 0.5 375 63.546 8.94633e-05 -3.52152 63.546000 Cu 0.135217 0.865686 1 376 63.546 0.000124667 -3.52157 63.546000 Cu 0.109445 0.880669 0.5 379 63.546 0.00016378 -3.52166 63.546000 Cu 0.221297 0.857079 5.91085e-17 345 63.546 3.75374e-05 -3.52132 63.546000 Cu 0.307469 0.848504 1 348 63.546 3.38113e-05 -3.52137 63.546000 Cu 0.281672 0.863481 0.5 351 63.546 3.08949e-05 -3.52132 63.546000 Cu 0.19555 0.872082 0.5 378 63.546 1.82038e-05 -3.52135 63.546000 Cu 0.255864 0.878469 1.05906e-16 380 63.546 0.000106513 -3.52113 63.546000 Cu 0.454048 0.846387 0.5 324 63.546 4.33006e-05 -3.52121 63.546000 Cu 0.34204 0.869893 7.04831e-16 349 63.546 1.99651e-05 -3.52152 63.546000 Cu 0.367846 0.85492 0.5 350 63.546 2.62525e-05 -3.52139 63.546000 Cu 0.428216 0.861346 1.76585e-16 352 63.546 2.06025e-05 -3.52131 63.546000 Cu 0.462775 0.882746 4.71841e-16 353 63.546 2.25326e-05 -3.52135 63.546000 Cu 0.488575 0.867773 0.5 354 63.546 5.89288e-05 -3.52128 63.546000 Cu 0.402405 0.876322 0.5 355 63.546 6.40563e-06 -3.52156 63.546000 Cu 0.514452 0.85282 1 322 63.546 1.28696e-05 -3.52134 63.546000 Cu 0.635217 0.865686 1 326 63.546 0.000124667 -3.52157 63.546000 Cu 0.660966 0.850681 0.5 327 63.546 2.64212e-05 -3.52139 63.546000 Cu 0.574845 0.859259 0.5 328 63.546 8.94633e-05 -3.52152 63.546000 Cu 0.549006 0.874215 2.22053e-17 356 63.546 9.61409e-06 -3.52135 63.546000 Cu 0.609445 0.880669 0.5 358 63.546 0.00016378 -3.52166 63.546000 Cu 0.807469 0.848504 7.56114e-16 299 63.546 3.38113e-05 -3.52137 63.546000 Cu 0.721297 0.857079 1.44138e-16 329 63.546 3.75374e-05 -3.52132 63.546000 Cu 0.755864 0.878469 5.01508e-17 330 63.546 0.000106513 -3.52113 63.546000 Cu 0.781672 0.863481 0.5 331 63.546 3.08949e-05 -3.52132 63.546000 Cu 0.69555 0.872082 0.5 332 63.546 1.82038e-05 -3.52135 63.546000 Cu 0.928216 0.861346 2.22053e-17 303 63.546 2.06025e-05 -3.52131 63.546000 Cu 0.954048 0.846387 0.5 304 63.546 4.33006e-05 -3.52121 63.546000 Cu 0.867846 0.85492 0.5 305 63.546 2.62525e-05 -3.52139 63.546000 Cu 0.988575 0.867773 0.5 307 63.546 5.89288e-05 -3.52128 63.546000 Cu 0.84204 0.869893 8.97579e-17 333 63.546 1.99651e-05 -3.52152 63.546000 Cu 0.902405 0.876322 0.5 335 63.546 6.40563e-06 -3.52156 63.546000 Cu 0.962775 0.882746 4.98819e-16 337 63.546 2.25326e-05 -3.52135 63.546000 Cu 0.0232036 0.889166 0.5 339 63.546 0.000115201 -3.52102 63.546000 Cu 0.0836114 0.89562 1 408 63.546 6.75581e-05 -3.52125 63.546000 Cu 0.118366 0.917018 1.0725e-18 409 63.546 0.000313154 -3.52123 63.546000 Cu 0.144097 0.902106 0.5 410 63.546 0.000709852 -3.52208 63.546000 Cu 0.0577798 0.910547 0.5 411 63.546 0.000699085 -3.5205 63.546000 Cu 0.169824 0.887105 6.78547e-17 377 63.546 0.000297288 -3.52185 63.546000 Cu 0.290461 0.899853 1 381 63.546 0.00048705 -3.52069 63.546000 Cu 0.316208 0.884873 0.5 382 63.546 0.000105657 -3.52115 63.546000 Cu 0.230114 0.893495 0.5 383 63.546 0.000117468 -3.52139 63.546000 Cu 0.20454 0.908552 7.99392e-17 412 63.546 0.00105318 -3.52216 63.546000 Cu 0.264809 0.914909 0.5 414 63.546 0.000338619 -3.52085 63.546000 Cu 0.325039 0.921214 5.75707e-16 416 63.546 0.0026932 -3.51916 63.546000 Cu 0.376615 0.891294 4.55874e-16 384 63.546 2.00618e-05 -3.5216 63.546000 Cu 0.411268 0.912713 1 385 63.546 0.00021756 -3.52213 63.546000 Cu 0.437029 0.897731 0.5 386 63.546 5.29736e-05 -3.52177 63.546000 Cu 0.350849 0.906253 0.5 387 63.546 0.000320349 -3.52089 63.546000 Cu 0.497362 0.904145 1 388 63.546 0.000136839 -3.52114 63.546000 Cu 0.471677 0.919163 0.5 391 63.546 0.000525365 -3.52211 63.546000 Cu 0.583611 0.89562 1.99093e-17 357 63.546 6.75581e-05 -3.52125 63.546000 Cu 0.523204 0.889166 0.5 359 63.546 0.000115201 -3.52102 63.546000 Cu 0.644097 0.902106 0.5 363 63.546 0.000709852 -3.52208 63.546000 Cu 0.55778 0.910547 0.5 390 63.546 0.000699085 -3.5205 63.546000 Cu 0.618366 0.917018 1 392 63.546 0.000313154 -3.52123 63.546000 Cu 0.816208 0.884873 0.5 336 63.546 0.000105657 -3.52115 63.546000 Cu 0.669824 0.887105 1 360 63.546 0.000297288 -3.52185 63.546000 Cu 0.70454 0.908552 2.22053e-17 361 63.546 0.00105318 -3.52216 63.546000 Cu 0.730114 0.893495 0.5 362 63.546 0.000117468 -3.52139 63.546000 Cu 0.790461 0.899853 1 364 63.546 0.00048705 -3.52069 63.546000 Cu 0.825039 0.921214 1 365 63.546 0.0026932 -3.51916 63.546000 Cu 0.764809 0.914909 0.5 367 63.546 0.000338619 -3.52085 63.546000 Cu 0.876615 0.891294 2.49244e-18 334 63.546 2.00618e-05 -3.5216 63.546000 Cu 0.997362 0.904145 1 338 63.546 0.000136839 -3.52114 63.546000 Cu 0.937029 0.897731 0.5 340 63.546 5.29736e-05 -3.52177 63.546000 Cu 0.850849 0.906253 0.5 366 63.546 0.000320349 -3.52089 63.546000 Cu 0.911268 0.912713 1 368 63.546 0.00021756 -3.52213 63.546000 Cu 0.971677 0.919163 0.5 370 63.546 0.000525365 -3.52211 63.546000 Cu 0.0320404 0.925528 3.49394e-17 372 63.546 0.000665351 -3.52062 63.546000 Cu 0.00655768 0.940589 0.5 373 63.546 0.00220178 -3.52331 63.546000 Cu 0.0669536 0.946865 1 438 63.546 0.0032229 -3.51838 63.546000 Cu 0.0925176 0.931873 0.5 439 63.546 0.00398233 -3.51937 63.546000 Cu 0.15336 0.93841 1.17824e-18 440 63.546 0.00198259 -3.52013 63.546000 Cu 0.127185 0.953094 0.5 443 63.546 0.0282584 -3.51339 63.546000 Cu 0.239413 0.930036 1 413 63.546 0.0037139 -3.52242 63.546000 Cu 0.179028 0.92356 0.5 415 63.546 0.00276674 -3.52278 63.546000 Cu 0.299458 0.93633 0.5 419 63.546 0.00177732 -3.5191 63.546000 Cu 0.188295 0.959841 1 441 63.546 0.0168413 -3.51638 63.546000 Cu 0.214074 0.945117 0.5 442 63.546 0.0154583 -3.52336 63.546000 Cu 0.274193 0.951613 1.07265e-16 444 63.546 0.0138133 -3.52292 63.546000 Cu 0.359492 0.94248 2.01736e-16 417 63.546 0.0190741 -3.51547 63.546000 Cu 0.385508 0.92763 0.5 418 63.546 0.0013128 -3.52049 63.546000 Cu 0.446126 0.934163 1 420 63.546 0.0030429 -3.52355 63.546000 Cu 0.481449 0.955685 1.81268e-16 421 63.546 0.03268 -3.52561 63.546000 Cu 0.420447 0.948976 0.5 423 63.546 0.00891475 -3.52036 63.546000 Cu 0.333938 0.957748 0.5 446 63.546 0.0110981 -3.51261 63.546000 Cu 0.53204 0.925528 1 389 63.546 0.000665351 -3.52062 63.546000 Cu 0.65336 0.93841 1 393 63.546 0.00198259 -3.52013 63.546000 Cu 0.592518 0.931873 0.5 395 63.546 0.00398233 -3.51937 63.546000 Cu 0.506558 0.940589 0.5 422 63.546 0.00220178 -3.52331 63.546000 Cu 0.566954 0.946865 1.74924e-16 424 63.546 0.0032229 -3.51838 63.546000 Cu 0.627185 0.953094 0.5 426 63.546 0.0282584 -3.51339 63.546000 Cu 0.679028 0.92356 0.5 394 63.546 0.00276674 -3.52278 63.546000 Cu 0.739413 0.930036 1 396 63.546 0.0037139 -3.52242 63.546000 Cu 0.774193 0.951613 1 397 63.546 0.0138133 -3.52292 63.546000 Cu 0.799458 0.93633 0.5 398 63.546 0.00177732 -3.5191 63.546000 Cu 0.714074 0.945117 0.5 399 63.546 0.0154583 -3.52336 63.546000 Cu 0.688295 0.959841 4.15708e-17 428 63.546 0.0168413 -3.51638 63.546000 Cu 0.946126 0.934163 1 369 63.546 0.0030429 -3.52355 63.546000 Cu 0.885508 0.92763 0.5 371 63.546 0.0013128 -3.52049 63.546000 Cu 0.859492 0.94248 5.74016e-19 400 63.546 0.0190741 -3.51547 63.546000 Cu 0.920447 0.948976 0.5 402 63.546 0.00891475 -3.52036 63.546000 Cu 0.833938 0.957748 0.5 403 63.546 0.0110981 -3.51261 63.546000 Cu 0.981449 0.955685 1 404 63.546 0.03268 -3.52561 63.546000 Cu 0.0167869 0.977767 3.58442e-16 405 63.546 0.960781 -3.45976 63.546000 Cu 0.0417814 0.961992 0.5 406 63.546 0.0187359 -3.51341 63.546000 Cu 0.101424 0.968282 6.90027e-17 457 63.546 0.0313576 -3.5012 63.546000 Cu 0.134224 0.990388 1 458 63.546 2.98423 -3.44143 63.546000 Cu 0.160334 0.97413 0.5 459 63.546 0.25398 -3.47929 63.546000 Cu 0.0752638 0.983296 0.5 460 63.546 1.9321 -3.37574 63.546000 Cu 0.309099 0.973236 3.67672e-17 445 63.546 0.121076 -3.4976 63.546000 Cu 0.249245 0.966923 0.5 447 63.546 0.128869 -3.51619 63.546000 Cu 0.224434 0.981208 1 461 63.546 0.457902 -3.45655 63.546000 Cu 0.285073 0.990201 0.5 462 63.546 4.25452 -3.45972 63.546000 Cu 0.195233 0.993964 0.5 463 63.546 8.55487 -3.24734 63.546000 Cu 0.393732 0.963472 1.33927e-16 448 63.546 0.148108 -3.5002 63.546000 Cu 0.429258 0.983643 2.22053e-17 449 63.546 3.57197 -3.29968 63.546000 Cu 0.456926 0.970239 0.5 450 63.546 0.113123 -3.48474 63.546000 Cu 0.369316 0.979126 0.5 451 63.546 0.838841 -3.45602 63.546000 Cu 0.49228 0.992906 0.5 454 63.546 4.18392 -3.44007 63.546000 Cu 0.347596 0.993791 1.31132e-16 464 63.546 10.0413 -3.32138 63.546000 Cu 0.601424 0.968282 1 425 63.546 0.0313576 -3.5012 63.546000 Cu 0.541781 0.961992 0.5 427 63.546 0.0187359 -3.51341 63.546000 Cu 0.660334 0.97413 0.5 431 63.546 0.25398 -3.47929 63.546000 Cu 0.516787 0.977767 1 452 63.546 0.960781 -3.45976 63.546000 Cu 0.575264 0.983296 0.5 453 63.546 1.9321 -3.37574 63.546000 Cu 0.634224 0.990388 1.9941e-16 455 63.546 2.98423 -3.44143 63.546000 Cu 0.724434 0.981208 2.27794e-16 429 63.546 0.457902 -3.45655 63.546000 Cu 0.749245 0.966923 0.5 430 63.546 0.128869 -3.51619 63.546000 Cu 0.809099 0.973236 3.84439e-17 432 63.546 0.121076 -3.4976 63.546000 Cu 0.785073 0.990201 0.5 435 63.546 4.25452 -3.45972 63.546000 Cu 0.695233 0.993964 0.5 456 63.546 8.55487 -3.24734 63.546000 Cu 0.893732 0.963472 1.06691e-16 401 63.546 0.148108 -3.5002 63.546000 Cu 0.956926 0.970239 0.5 407 63.546 0.113123 -3.48474 63.546000 Cu 0.847596 0.993791 1.17824e-18 433 63.546 10.0413 -3.32138 63.546000 Cu 0.869316 0.979126 0.5 434 63.546 0.838841 -3.45602 63.546000 Cu 0.929258 0.983643 1 436 63.546 3.57197 -3.29968 63.546000 Cu 0.99228 0.992906 0.5 437 63.546 4.18392 -3.44007