Number of particles = 796 A = 1 Angstrom (basic length-scale) H0(1,1) = 25.549 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 102.047 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61953 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 0.141252 0.0101129 1 406 63.546 6.22001 -3.22241 63.546000 Cu 0.073085 0.010108 0.5 407 63.546 0.474046 -3.51378 63.546000 Cu 0.076801 0.027214 4.79268e-19 418 63.546 0.367239 -3.49678 63.546000 Cu 0.153236 0.0250278 0.5 420 63.546 4.30664 -3.43774 63.546000 Cu 0.00320125 0.010096 2.39634e-19 404 63.546 0.119636 -3.53866 63.546000 Cu 0.0058383 0.027751 0.5 416 63.546 0.168982 -3.53115 63.546000 Cu 0.224133 0.0216939 1 422 63.546 9.1115 -3.28385 63.546000 Cu 0.305652 0.0328052 1 423 63.546 0.882367 -3.41939 63.546000 Cu 0.28603 0.0105192 0.5 424 63.546 7.93473 -3.4556 63.546000 Cu 0.236169 0.0375623 0.5 425 63.546 0.84087 -3.44639 63.546000 Cu 0.358683 0.0100547 7.90792e-18 426 63.546 1.70205 -3.50281 63.546000 Cu 0.435774 0.0282509 1 427 63.546 0.219259 -3.52904 63.546000 Cu 0.432142 0.0100893 0.5 428 63.546 0.253155 -3.52901 63.546000 Cu 0.368241 0.0291657 0.5 429 63.546 0.39616 -3.47209 63.546000 Cu 0.503201 0.010096 2.39634e-19 430 63.546 0.119636 -3.53866 63.546000 Cu 0.505838 0.027751 0.5 433 63.546 0.168982 -3.53115 63.546000 Cu 0.576801 0.027214 1 431 63.546 0.367239 -3.49678 63.546000 Cu 0.573085 0.010108 0.5 432 63.546 0.474046 -3.51378 63.546000 Cu 0.641252 0.0101129 1 434 63.546 6.22001 -3.22241 63.546000 Cu 0.653236 0.0250278 0.5 437 63.546 4.30664 -3.43774 63.546000 Cu 0.78603 0.0105192 0.5 403 63.546 7.93473 -3.4556 63.546000 Cu 0.805652 0.0328052 1 410 63.546 0.882367 -3.41939 63.546000 Cu 0.724133 0.0216939 2.39634e-19 435 63.546 9.1115 -3.28385 63.546000 Cu 0.736169 0.0375623 0.5 464 63.546 0.84087 -3.44639 63.546000 Cu 0.858683 0.0100547 5.27195e-17 402 63.546 1.70205 -3.50281 63.546000 Cu 0.932142 0.0100893 0.5 405 63.546 0.253155 -3.52901 63.546000 Cu 0.868241 0.0291657 0.5 412 63.546 0.39616 -3.47209 63.546000 Cu 0.935774 0.0282509 1.19817e-19 414 63.546 0.219259 -3.52904 63.546000 Cu 0.16096 0.0410711 8.38719e-19 419 63.546 0.0442722 -3.51226 63.546000 Cu 0.0873044 0.043469 0.5 421 63.546 0.0668438 -3.52983 63.546000 Cu 0.0260824 0.0625869 0.5 444 63.546 0.0438065 -3.538 63.546000 Cu 0.0977496 0.0601576 0 446 63.546 0.0257798 -3.53647 63.546000 Cu 0.0141489 0.0453269 1.19817e-19 415 63.546 0.160631 -3.52523 63.546000 Cu 0.180536 0.0743976 1 447 63.546 0.0247016 -3.54448 63.546000 Cu 0.171262 0.0574007 0.5 448 63.546 0.0281062 -3.53598 63.546000 Cu 0.243941 0.0543708 0 450 63.546 0.0992603 -3.53552 63.546000 Cu 0.321278 0.0694969 1.22333e-16 451 63.546 0.0181714 -3.53435 63.546000 Cu 0.314054 0.0514323 0.5 452 63.546 0.160668 -3.51014 63.546000 Cu 0.251692 0.0718159 0.5 453 63.546 0.0234475 -3.54266 63.546000 Cu 0.379803 0.048835 0 454 63.546 0.0522566 -3.50017 63.546000 Cu 0.456847 0.0649776 1.22333e-16 455 63.546 0.0411696 -3.52739 63.546000 Cu 0.445218 0.0467208 0.5 456 63.546 0.114252 -3.52365 63.546000 Cu 0.389357 0.0672634 0.5 457 63.546 0.0325651 -3.52489 63.546000 Cu 0.514149 0.0453269 1 458 63.546 0.160631 -3.52523 63.546000 Cu 0.59775 0.0601576 9.89688e-17 459 63.546 0.0257798 -3.53647 63.546000 Cu 0.587304 0.043469 0.5 460 63.546 0.0668438 -3.52983 63.546000 Cu 0.526082 0.0625869 0.5 461 63.546 0.0438065 -3.538 63.546000 Cu 0.66096 0.0410711 1 462 63.546 0.0442722 -3.51226 63.546000 Cu 0.671262 0.0574007 0.5 465 63.546 0.0281062 -3.53598 63.546000 Cu 0.680536 0.0743976 1.28803e-16 491 63.546 0.0247016 -3.54448 63.546000 Cu 0.814054 0.0514323 0.5 413 63.546 0.160668 -3.51014 63.546000 Cu 0.821278 0.0694969 3.18713e-17 438 63.546 0.0181714 -3.53435 63.546000 Cu 0.743941 0.0543708 1.22573e-16 463 63.546 0.0992603 -3.53552 63.546000 Cu 0.751692 0.0718159 0.5 493 63.546 0.0234475 -3.54266 63.546000 Cu 0.879803 0.048835 1.53366e-17 411 63.546 0.0522566 -3.50017 63.546000 Cu 0.945218 0.0467208 0.5 417 63.546 0.114252 -3.52365 63.546000 Cu 0.889357 0.0672634 0.5 440 63.546 0.0325651 -3.52489 63.546000 Cu 0.956847 0.0649776 0 442 63.546 0.0411696 -3.52739 63.546000 Cu 0.0380029 0.0799148 1.75771e-16 443 63.546 0.0052411 -3.53903 63.546000 Cu 0.108932 0.077141 0.5 449 63.546 0.012508 -3.54294 63.546000 Cu 0.0594171 0.114682 1 472 63.546 0.00189977 -3.54061 63.546000 Cu 0.0491423 0.0972602 0.5 473 63.546 0.00161835 -3.54019 63.546000 Cu 0.119494 0.0944905 3.59451e-17 475 63.546 0.00669248 -3.5426 63.546000 Cu 0.129475 0.112038 0.5 478 63.546 0.00292264 -3.54089 63.546000 Cu 0.189792 0.0918669 0.5 477 63.546 0.00968613 -3.5434 63.546000 Cu 0.19922 0.109531 1.22333e-16 476 63.546 0.00152883 -3.54066 63.546000 Cu 0.259831 0.0894921 9.22591e-17 479 63.546 0.0035627 -3.54162 63.546000 Cu 0.329493 0.0872901 0.5 481 63.546 0.00422882 -3.53805 63.546000 Cu 0.268874 0.107183 0.5 482 63.546 0.0011984 -3.53991 63.546000 Cu 0.338626 0.104903 2.46823e-17 480 63.546 0.00366406 -3.53891 63.546000 Cu 0.398824 0.0850618 3.18713e-17 483 63.546 0.0153934 -3.53442 63.546000 Cu 0.478861 0.0999906 2.31247e-17 484 63.546 0.00265473 -3.53813 63.546000 Cu 0.468162 0.0826002 0.5 485 63.546 0.0125314 -3.53481 63.546000 Cu 0.408664 0.102542 0.5 486 63.546 0.00448987 -3.53807 63.546000 Cu 0.538003 0.0799148 3.18713e-17 487 63.546 0.0052411 -3.53903 63.546000 Cu 0.619494 0.0944905 3.18713e-17 488 63.546 0.00669248 -3.5426 63.546000 Cu 0.608932 0.077141 0.5 489 63.546 0.012508 -3.54294 63.546000 Cu 0.549142 0.0972602 0.5 490 63.546 0.00161835 -3.54019 63.546000 Cu 0.559417 0.114682 0 517 63.546 0.00189977 -3.54061 63.546000 Cu 0.629475 0.112038 0.5 519 63.546 0.00292264 -3.54089 63.546000 Cu 0.689792 0.0918669 0.5 494 63.546 0.00968613 -3.5434 63.546000 Cu 0.829493 0.0872901 0.5 441 63.546 0.00422882 -3.53805 63.546000 Cu 0.759831 0.0894921 1.22213e-16 492 63.546 0.0035627 -3.54162 63.546000 Cu 0.69922 0.109531 3.18713e-17 521 63.546 0.00152883 -3.54066 63.546000 Cu 0.768874 0.107183 0.5 522 63.546 0.0011984 -3.53991 63.546000 Cu 0.838626 0.104903 2.39634e-18 467 63.546 0.00366406 -3.53891 63.546000 Cu 0.898824 0.0850618 1.45697e-16 439 63.546 0.0153934 -3.53442 63.546000 Cu 0.968162 0.0826002 0.5 445 63.546 0.0125314 -3.53481 63.546000 Cu 0.908664 0.102542 0.5 469 63.546 0.00448987 -3.53807 63.546000 Cu 0.978861 0.0999906 4.86457e-17 471 63.546 0.00265473 -3.53813 63.546000 Cu 0.0789405 0.149732 1 502 63.546 0.000305945 -3.54032 63.546000 Cu 0.0692443 0.13218 0.5 503 63.546 0.00118917 -3.54072 63.546000 Cu 0.139137 0.129649 1.22693e-16 505 63.546 0.000678208 -3.54012 63.546000 Cu 0.148801 0.147258 0.5 508 63.546 0.000125041 -3.53983 63.546000 Cu 0.00891901 0.152246 0.5 504 63.546 0.000451779 -3.54056 63.546000 Cu 0.21856 0.144812 1 506 63.546 0.000428 -3.53944 63.546000 Cu 0.2088 0.127197 0.5 507 63.546 0.000249467 -3.53953 63.546000 Cu 0.278475 0.124803 7.00929e-17 509 63.546 0.00124398 -3.53949 63.546000 Cu 0.288408 0.142363 0.5 512 63.546 0.000740676 -3.53966 63.546000 Cu 0.358479 0.139882 3.18713e-17 510 63.546 0.000480652 -3.54015 63.546000 Cu 0.348435 0.122409 0.5 511 63.546 0.00164605 -3.5398 63.546000 Cu 0.418683 0.119934 3.18713e-17 513 63.546 0.000785092 -3.53997 63.546000 Cu 0.499071 0.13477 1.66066e-16 514 63.546 0.000501344 -3.54083 63.546000 Cu 0.489073 0.117346 0.5 515 63.546 0.000434422 -3.54017 63.546000 Cu 0.428748 0.137351 0.5 516 63.546 0.000131637 -3.54057 63.546000 Cu 0.508919 0.152246 0.5 544 63.546 0.000451779 -3.54056 63.546000 Cu 0.639137 0.129649 1.19817e-19 518 63.546 0.000678208 -3.54012 63.546000 Cu 0.569244 0.13218 0.5 520 63.546 0.00118917 -3.54072 63.546000 Cu 0.57894 0.149732 1.19817e-19 546 63.546 0.000305945 -3.54032 63.546000 Cu 0.648801 0.147258 0.5 548 63.546 0.000125041 -3.53983 63.546000 Cu 0.778475 0.124803 0 466 63.546 0.00124398 -3.53949 63.546000 Cu 0.788408 0.142363 0.5 496 63.546 0.000740676 -3.53966 63.546000 Cu 0.7088 0.127197 0.5 523 63.546 0.000249467 -3.53953 63.546000 Cu 0.71856 0.144812 1 550 63.546 0.000428 -3.53944 63.546000 Cu 0.848435 0.122409 0.5 470 63.546 0.00164605 -3.5398 63.546000 Cu 0.858479 0.139882 0 497 63.546 0.000480652 -3.54015 63.546000 Cu 0.918683 0.119934 1.19817e-18 468 63.546 0.000785092 -3.53997 63.546000 Cu 0.989073 0.117346 0.5 474 63.546 0.000434422 -3.54017 63.546000 Cu 0.928748 0.137351 0.5 499 63.546 0.000131637 -3.54057 63.546000 Cu 0.999071 0.13477 1.19817e-19 501 63.546 0.000501344 -3.54083 63.546000 Cu 0.0986287 0.184843 3.59451e-19 531 63.546 2.5439e-05 -3.54026 63.546000 Cu 0.0886994 0.167288 0.5 532 63.546 8.40952e-05 -3.54001 63.546000 Cu 0.0287085 0.187321 0.5 533 63.546 4.93764e-05 -3.54036 63.546000 Cu 0.15859 0.164827 3.59451e-19 534 63.546 0.000118786 -3.53973 63.546000 Cu 0.018748 0.169771 1 530 63.546 0.000202724 -3.54038 63.546000 Cu 0.168555 0.182372 0.5 537 63.546 6.75766e-05 -3.54015 63.546000 Cu 0.23853 0.179889 2.39634e-19 535 63.546 0.000101178 -3.54009 63.546000 Cu 0.228516 0.162361 0.5 536 63.546 0.000183994 -3.53968 63.546000 Cu 0.29849 0.159873 6.0867e-17 538 63.546 0.000185688 -3.53989 63.546000 Cu 0.308559 0.177377 0.5 541 63.546 6.13067e-05 -3.5403 63.546000 Cu 0.378674 0.174839 3.18713e-17 539 63.546 2.12205e-05 -3.54055 63.546000 Cu 0.368569 0.157348 0.5 540 63.546 8.67903e-05 -3.5403 63.546000 Cu 0.438748 0.154797 1.22333e-16 542 63.546 0.000181678 -3.54054 63.546000 Cu 0.448749 0.172293 0.5 545 63.546 0.00015751 -3.5405 63.546000 Cu 0.458758 0.18982 9.98075e-17 570 63.546 0.000102068 -3.54036 63.546000 Cu 0.518748 0.169771 1 543 63.546 0.000202724 -3.54038 63.546000 Cu 0.65859 0.164827 1 547 63.546 0.000118786 -3.53973 63.546000 Cu 0.588699 0.167288 0.5 549 63.546 8.40952e-05 -3.54001 63.546000 Cu 0.528709 0.187321 0.5 572 63.546 4.93764e-05 -3.54036 63.546000 Cu 0.598629 0.184843 1.19817e-19 574 63.546 2.5439e-05 -3.54026 63.546000 Cu 0.668555 0.182372 0.5 576 63.546 6.75766e-05 -3.54015 63.546000 Cu 0.79849 0.159873 0 495 63.546 0.000185688 -3.53989 63.546000 Cu 0.808559 0.177377 0.5 525 63.546 6.13067e-05 -3.5403 63.546000 Cu 0.728516 0.162361 0.5 551 63.546 0.000183994 -3.53968 63.546000 Cu 0.73853 0.179889 0 578 63.546 0.000101178 -3.54009 63.546000 Cu 0.938748 0.154797 1 498 63.546 0.000181678 -3.54054 63.546000 Cu 0.868569 0.157348 0.5 500 63.546 8.67903e-05 -3.5403 63.546000 Cu 0.878674 0.174839 0 526 63.546 2.12205e-05 -3.54055 63.546000 Cu 0.958758 0.18982 0 527 63.546 0.000102068 -3.54036 63.546000 Cu 0.948749 0.172293 0.5 528 63.546 0.00015751 -3.5405 63.546000 Cu 0.0387288 0.204881 0 558 63.546 1.10012e-05 -3.54013 63.546000 Cu 0.11875 0.219937 1.19817e-19 559 63.546 2.16011e-05 -3.53995 63.546000 Cu 0.10865 0.202402 0.5 560 63.546 5.70947e-05 -3.54013 63.546000 Cu 0.048769 0.222424 0.5 561 63.546 1.52088e-05 -3.53992 63.546000 Cu 0.178601 0.199914 1.19817e-19 562 63.546 8.94014e-05 -3.54005 63.546000 Cu 0.188715 0.217435 0.5 565 63.546 2.16354e-05 -3.53999 63.546000 Cu 0.258712 0.214917 3.29497e-17 563 63.546 1.28917e-05 -3.54017 63.546000 Cu 0.248586 0.197406 0.5 564 63.546 6.10122e-05 -3.54006 63.546000 Cu 0.318648 0.194879 0 566 63.546 9.95509e-06 -3.54034 63.546000 Cu 0.328727 0.212393 0.5 569 63.546 3.29365e-05 -3.54039 63.546000 Cu 0.338864 0.22992 0 596 63.546 1.35662e-05 -3.54025 63.546000 Cu 0.398771 0.209869 1.19817e-19 567 63.546 4.94658e-05 -3.54044 63.546000 Cu 0.388736 0.192345 0.5 568 63.546 5.4241e-05 -3.54046 63.546000 Cu 0.468777 0.207365 0.5 573 63.546 2.96619e-05 -3.54025 63.546000 Cu 0.408826 0.227408 0.5 598 63.546 3.75111e-05 -3.54025 63.546000 Cu 0.478814 0.224907 1 600 63.546 2.60571e-05 -3.54014 63.546000 Cu 0.538729 0.204881 2.39634e-19 571 63.546 1.10012e-05 -3.54013 63.546000 Cu 0.60865 0.202402 0.5 577 63.546 5.70947e-05 -3.54013 63.546000 Cu 0.548769 0.222424 0.5 602 63.546 1.52088e-05 -3.53992 63.546000 Cu 0.61875 0.219937 1 604 63.546 2.16011e-05 -3.53995 63.546000 Cu 0.678601 0.199914 0 575 63.546 8.94014e-05 -3.54005 63.546000 Cu 0.688715 0.217435 0.5 606 63.546 2.16354e-05 -3.53999 63.546000 Cu 0.818648 0.194879 3.18713e-17 524 63.546 9.95509e-06 -3.54034 63.546000 Cu 0.828727 0.212393 0.5 553 63.546 3.29365e-05 -3.54039 63.546000 Cu 0.748586 0.197406 0.5 579 63.546 6.10122e-05 -3.54006 63.546000 Cu 0.758712 0.214917 3.18713e-17 608 63.546 1.28917e-05 -3.54017 63.546000 Cu 0.838864 0.22992 1.19817e-19 552 63.546 1.35662e-05 -3.54025 63.546000 Cu 0.888736 0.192345 0.5 529 63.546 5.4241e-05 -3.54046 63.546000 Cu 0.898771 0.209869 1.08075e-16 554 63.546 4.94658e-05 -3.54044 63.546000 Cu 0.978814 0.224907 7.66829e-18 555 63.546 2.60571e-05 -3.54014 63.546000 Cu 0.968777 0.207365 0.5 556 63.546 2.96619e-05 -3.54025 63.546000 Cu 0.908826 0.227408 0.5 557 63.546 3.75111e-05 -3.54025 63.546000 Cu 0.058876 0.239967 1.19817e-19 588 63.546 1.58903e-05 -3.54029 63.546000 Cu 0.138971 0.255017 0 589 63.546 3.89338e-05 -3.5402 63.546000 Cu 0.128845 0.237472 0.5 590 63.546 2.47665e-05 -3.54032 63.546000 Cu 0.0690431 0.257522 0.5 591 63.546 3.65472e-05 -3.54013 63.546000 Cu 0.198865 0.234962 0 592 63.546 1.11672e-05 -3.54036 63.546000 Cu 0.278995 0.249969 3.29497e-17 593 63.546 3.91406e-06 -3.54025 63.546000 Cu 0.268864 0.232441 0.5 594 63.546 1.18083e-06 -3.54032 63.546000 Cu 0.208983 0.252495 0.5 595 63.546 6.42691e-06 -3.54036 63.546000 Cu 0.289148 0.267496 0.5 624 63.546 3.14405e-05 -3.54038 63.546000 Cu 0.349007 0.247448 0.5 599 63.546 3.31749e-05 -3.5402 63.546000 Cu 0.359143 0.264986 1 626 63.546 1.93306e-05 -3.54022 63.546000 Cu 0.418966 0.244948 3.18713e-17 597 63.546 1.80847e-05 -3.54023 63.546000 Cu 0.488922 0.242458 0.5 603 63.546 7.35927e-06 -3.54039 63.546000 Cu 0.429131 0.262494 0.5 628 63.546 2.1968e-05 -3.5401 63.546000 Cu 0.499072 0.260013 1 630 63.546 2.33923e-05 -3.54015 63.546000 Cu 0.558876 0.239967 1.19817e-19 601 63.546 1.58903e-05 -3.54029 63.546000 Cu 0.628845 0.237472 0.5 607 63.546 2.47665e-05 -3.54032 63.546000 Cu 0.569043 0.257522 0.5 632 63.546 3.65472e-05 -3.54013 63.546000 Cu 0.638971 0.255017 4.67286e-18 634 63.546 3.89338e-05 -3.5402 63.546000 Cu 0.778995 0.249969 6.58993e-17 580 63.546 3.91406e-06 -3.54025 63.546000 Cu 0.789148 0.267496 0.5 583 63.546 3.14405e-05 -3.54038 63.546000 Cu 0.698865 0.234962 1 605 63.546 1.11672e-05 -3.54036 63.546000 Cu 0.768864 0.232441 0.5 609 63.546 1.18083e-06 -3.54032 63.546000 Cu 0.708983 0.252495 0.5 636 63.546 6.42691e-06 -3.54036 63.546000 Cu 0.859143 0.264986 0 581 63.546 1.93306e-05 -3.54022 63.546000 Cu 0.849007 0.247448 0.5 582 63.546 3.31749e-05 -3.5402 63.546000 Cu 0.918966 0.244948 4.85259e-17 584 63.546 1.80847e-05 -3.54023 63.546000 Cu 0.999072 0.260013 1 585 63.546 2.33923e-05 -3.54015 63.546000 Cu 0.988922 0.242458 0.5 586 63.546 7.35927e-06 -3.54039 63.546000 Cu 0.929131 0.262494 0.5 587 63.546 2.1968e-05 -3.5401 63.546000 Cu 0.0791422 0.275062 1.74933e-17 618 63.546 1.57289e-05 -3.54016 63.546000 Cu 0.159236 0.290098 4.80466e-17 619 63.546 3.83926e-05 -3.5403 63.546000 Cu 0.149114 0.272556 0.5 620 63.546 2.26044e-05 -3.54028 63.546000 Cu 0.0892111 0.292612 0.5 621 63.546 6.97886e-05 -3.54019 63.546000 Cu 0.0192403 0.295099 0 615 63.546 9.37234e-06 -3.54012 63.546000 Cu 0.00917861 0.277551 0.5 616 63.546 7.30587e-06 -3.54001 63.546000 Cu 0.169331 0.307622 0.5 648 63.546 6.48211e-06 -3.54036 63.546000 Cu 0.219109 0.270028 3.46271e-17 622 63.546 8.05278e-06 -3.5405 63.546000 Cu 0.29929 0.285035 1.19817e-19 623 63.546 2.51556e-05 -3.54026 63.546000 Cu 0.229272 0.287568 0.5 625 63.546 1.69068e-05 -3.54036 63.546000 Cu 0.239381 0.305094 1 650 63.546 1.15879e-05 -3.54035 63.546000 Cu 0.309399 0.302571 0.5 652 63.546 3.76167e-05 -3.54028 63.546000 Cu 0.43923 0.280032 1.22453e-16 627 63.546 1.50257e-05 -3.53988 63.546000 Cu 0.369268 0.282521 0.5 629 63.546 3.92436e-05 -3.53999 63.546000 Cu 0.379369 0.300063 1 654 63.546 4.99828e-05 -3.54008 63.546000 Cu 0.449281 0.297576 0.5 656 63.546 2.64743e-05 -3.54002 63.546000 Cu 0.509179 0.277551 0.5 633 63.546 7.30587e-06 -3.54001 63.546000 Cu 0.51924 0.295099 3.18713e-17 658 63.546 9.37234e-06 -3.54012 63.546000 Cu 0.579142 0.275062 1.306e-17 631 63.546 1.57289e-05 -3.54016 63.546000 Cu 0.649114 0.272556 0.5 637 63.546 2.26044e-05 -3.54028 63.546000 Cu 0.589211 0.292612 0.5 660 63.546 6.97886e-05 -3.54019 63.546000 Cu 0.659236 0.290098 0 662 63.546 3.83926e-05 -3.5403 63.546000 Cu 0.669331 0.307622 0.5 665 63.546 6.48211e-06 -3.54036 63.546000 Cu 0.79929 0.285035 1 610 63.546 2.51556e-05 -3.54026 63.546000 Cu 0.809399 0.302571 0.5 613 63.546 3.76167e-05 -3.54028 63.546000 Cu 0.719109 0.270028 3.18713e-17 635 63.546 8.05278e-06 -3.5405 63.546000 Cu 0.739381 0.305094 3.16317e-17 663 63.546 1.15879e-05 -3.54035 63.546000 Cu 0.729272 0.287568 0.5 664 63.546 1.69068e-05 -3.54036 63.546000 Cu 0.879369 0.300063 5.02033e-17 611 63.546 4.99828e-05 -3.54008 63.546000 Cu 0.869268 0.282521 0.5 612 63.546 3.92436e-05 -3.53999 63.546000 Cu 0.93923 0.280032 1 614 63.546 1.50257e-05 -3.53988 63.546000 Cu 0.949281 0.297576 0.5 617 63.546 2.64743e-05 -3.54002 63.546000 Cu 0.0394022 0.330205 1 643 63.546 5.16517e-05 -3.54047 63.546000 Cu 0.0293053 0.312644 0.5 644 63.546 3.56845e-05 -3.54014 63.546000 Cu 0.0992953 0.310142 1 646 63.546 2.99214e-05 -3.54011 63.546000 Cu 0.109356 0.327682 0.5 649 63.546 8.64045e-05 -3.54042 63.546000 Cu 0.11949 0.345217 8.14755e-18 675 63.546 8.16478e-05 -3.54052 63.546000 Cu 0.179408 0.325153 3.18713e-17 647 63.546 3.57331e-05 -3.54048 63.546000 Cu 0.189569 0.342663 0.5 677 63.546 5.83651e-05 -3.5402 63.546000 Cu 0.319533 0.320115 3.25902e-17 651 63.546 4.95957e-05 -3.54027 63.546000 Cu 0.249507 0.322626 0.5 653 63.546 2.69925e-05 -3.54039 63.546000 Cu 0.259629 0.340144 1.31559e-16 679 63.546 9.33726e-05 -3.53997 63.546000 Cu 0.32966 0.337653 0.5 681 63.546 0.000134658 -3.53997 63.546000 Cu 0.459366 0.315136 3.18713e-17 655 63.546 1.78771e-05 -3.54006 63.546000 Cu 0.389488 0.317624 0.5 657 63.546 2.71001e-05 -3.54002 63.546000 Cu 0.399601 0.335181 1 683 63.546 8.61218e-05 -3.53988 63.546000 Cu 0.469484 0.332705 0.5 685 63.546 3.93699e-05 -3.54021 63.546000 Cu 0.599295 0.310142 0 659 63.546 2.99214e-05 -3.54011 63.546000 Cu 0.529305 0.312644 0.5 661 63.546 3.56845e-05 -3.54014 63.546000 Cu 0.539402 0.330205 6.32634e-17 687 63.546 5.16517e-05 -3.54047 63.546000 Cu 0.61949 0.345217 1 688 63.546 8.16478e-05 -3.54052 63.546000 Cu 0.609356 0.327682 0.5 689 63.546 8.64045e-05 -3.54042 63.546000 Cu 0.679408 0.325153 0 691 63.546 3.57331e-05 -3.54048 63.546000 Cu 0.689569 0.342663 0.5 694 63.546 5.83651e-05 -3.5402 63.546000 Cu 0.819533 0.320115 3.18713e-17 638 63.546 4.95957e-05 -3.54027 63.546000 Cu 0.82966 0.337653 0.5 641 63.546 0.000134658 -3.53997 63.546000 Cu 0.759629 0.340144 3.271e-17 692 63.546 9.33726e-05 -3.53997 63.546000 Cu 0.749507 0.322626 0.5 693 63.546 2.69925e-05 -3.54039 63.546000 Cu 0.899601 0.335181 1 639 63.546 8.61218e-05 -3.53988 63.546000 Cu 0.889488 0.317624 0.5 640 63.546 2.71001e-05 -3.54002 63.546000 Cu 0.959366 0.315136 0 642 63.546 1.78771e-05 -3.54006 63.546000 Cu 0.969484 0.332705 0.5 645 63.546 3.93699e-05 -3.54021 63.546000 Cu 0.0595983 0.365301 3.18713e-17 672 63.546 0.000355882 -3.54074 63.546000 Cu 0.0494732 0.347771 0.5 673 63.546 0.00025285 -3.54073 63.546000 Cu 0.129735 0.362732 0.5 678 63.546 7.5024e-05 -3.54032 63.546000 Cu 0.0697512 0.382769 0.5 703 63.546 0.000134044 -3.54068 63.546000 Cu 0.140044 0.380217 1.38988e-17 705 63.546 0.000588109 -3.54013 63.546000 Cu 0.199777 0.360183 3.18713e-17 676 63.546 0.000184928 -3.53979 63.546000 Cu 0.269721 0.357672 0.5 682 63.546 0.00030599 -3.53965 63.546000 Cu 0.21003 0.377712 0.5 707 63.546 0.000680628 -3.53946 63.546000 Cu 0.279814 0.37524 4.20558e-17 709 63.546 0.000408308 -3.53951 63.546000 Cu 0.339666 0.355202 1.19817e-19 680 63.546 0.000152005 -3.5399 63.546000 Cu 0.349551 0.372788 0.5 711 63.546 0.000185344 -3.53993 63.546000 Cu 0.479495 0.350283 1 684 63.546 0.000188838 -3.54048 63.546000 Cu 0.409589 0.352751 0.5 686 63.546 5.10296e-05 -3.54004 63.546000 Cu 0.419436 0.370326 5.87103e-17 713 63.546 0.000206208 -3.54032 63.546000 Cu 0.489447 0.367841 0.5 715 63.546 0.000573682 -3.54064 63.546000 Cu 0.549473 0.347771 0.5 690 63.546 0.00025285 -3.54073 63.546000 Cu 0.559598 0.365301 0 717 63.546 0.000355882 -3.54074 63.546000 Cu 0.640044 0.380217 1 718 63.546 0.000588109 -3.54013 63.546000 Cu 0.629735 0.362732 0.5 719 63.546 7.5024e-05 -3.54032 63.546000 Cu 0.569751 0.382769 0.5 720 63.546 0.000134044 -3.54068 63.546000 Cu 0.779814 0.37524 3.18713e-17 666 63.546 0.000408308 -3.53951 63.546000 Cu 0.699777 0.360183 6.11067e-18 721 63.546 0.000184928 -3.53979 63.546000 Cu 0.769721 0.357672 0.5 722 63.546 0.00030599 -3.53965 63.546000 Cu 0.71003 0.377712 0.5 723 63.546 0.000680628 -3.53946 63.546000 Cu 0.839666 0.355202 0 667 63.546 0.000152005 -3.5399 63.546000 Cu 0.849551 0.372788 0.5 670 63.546 0.000185344 -3.53993 63.546000 Cu 0.919436 0.370326 3.18713e-17 668 63.546 0.000206208 -3.54032 63.546000 Cu 0.909589 0.352751 0.5 669 63.546 5.10296e-05 -3.54004 63.546000 Cu 0.979495 0.350283 0 671 63.546 0.000188838 -3.54048 63.546000 Cu 0.989447 0.367841 0.5 674 63.546 0.000573682 -3.54064 63.546000 Cu 0.0799896 0.40019 3.06731e-17 702 63.546 0.000649503 -3.54004 63.546000 Cu 0.150295 0.397704 0.5 708 63.546 0.00184212 -3.53979 63.546000 Cu 0.0902613 0.417593 0.5 732 63.546 0.00451434 -3.53841 63.546000 Cu 0.160295 0.415222 3.18713e-17 734 63.546 0.00354087 -3.53893 63.546000 Cu 0.00958696 0.402778 0.5 704 63.546 0.000685703 -3.54019 63.546000 Cu 0.0200557 0.420157 3.18713e-17 730 63.546 0.00255558 -3.53861 63.546000 Cu 0.220208 0.39529 3.18713e-17 706 63.546 0.001256 -3.5394 63.546000 Cu 0.289851 0.392881 0.5 712 63.546 0.000250647 -3.53963 63.546000 Cu 0.230063 0.412929 0.5 736 63.546 0.00142335 -3.53984 63.546000 Cu 0.299691 0.410568 3.18713e-17 738 63.546 0.00125475 -3.54071 63.546000 Cu 0.359464 0.390417 3.18713e-17 710 63.546 0.00044688 -3.54015 63.546000 Cu 0.499424 0.385344 9.99273e-17 714 63.546 0.000757186 -3.54074 63.546000 Cu 0.42928 0.387903 0.5 716 63.546 0.00123554 -3.5407 63.546000 Cu 0.369368 0.408072 0.5 740 63.546 0.00257563 -3.54088 63.546000 Cu 0.439311 0.405443 3.59451e-19 742 63.546 0.00235764 -3.54067 63.546000 Cu 0.449805 0.422901 0.5 745 63.546 0.00168115 -3.54029 63.546000 Cu 0.520056 0.420157 3.18713e-17 743 63.546 0.00255558 -3.53861 63.546000 Cu 0.509587 0.402778 0.5 744 63.546 0.000685703 -3.54019 63.546000 Cu 0.57999 0.40019 1 746 63.546 0.000649503 -3.54004 63.546000 Cu 0.660295 0.415222 1 747 63.546 0.00354087 -3.53893 63.546000 Cu 0.650295 0.397704 0.5 748 63.546 0.00184212 -3.53979 63.546000 Cu 0.590261 0.417593 0.5 749 63.546 0.00451434 -3.53841 63.546000 Cu 0.799691 0.410568 8.95033e-17 695 63.546 0.00125475 -3.54071 63.546000 Cu 0.789851 0.392881 0.5 696 63.546 0.000250647 -3.53963 63.546000 Cu 0.720208 0.39529 1 750 63.546 0.001256 -3.5394 63.546000 Cu 0.730063 0.412929 0.5 751 63.546 0.00142335 -3.53984 63.546000 Cu 0.859464 0.390417 9.11807e-17 697 63.546 0.00044688 -3.54015 63.546000 Cu 0.939311 0.405443 1 698 63.546 0.00235764 -3.54067 63.546000 Cu 0.92928 0.387903 0.5 699 63.546 0.00123554 -3.5407 63.546000 Cu 0.869368 0.408072 0.5 700 63.546 0.00257563 -3.54088 63.546000 Cu 0.999424 0.385344 3.18713e-17 701 63.546 0.000757186 -3.54074 63.546000 Cu 0.949805 0.422901 0.5 728 63.546 0.00168115 -3.54029 63.546000 Cu 0.100321 0.435096 3.18713e-17 731 63.546 0.0143691 -3.5347 63.546000 Cu 0.0309669 0.437571 0.5 733 63.546 0.0120471 -3.53514 63.546000 Cu 0.0424927 0.455204 0 758 63.546 0.0399717 -3.52704 63.546000 Cu 0.110032 0.452899 0.5 760 63.546 0.0320382 -3.52529 63.546000 Cu 0.169671 0.432841 0.5 737 63.546 0.00430088 -3.53796 63.546000 Cu 0.178121 0.45064 1.19817e-19 762 63.546 0.0175143 -3.53465 63.546000 Cu 0.239288 0.430624 1.19817e-19 735 63.546 0.00297884 -3.54143 63.546000 Cu 0.309315 0.428257 0.5 741 63.546 0.00870533 -3.54332 63.546000 Cu 0.24767 0.448308 0.5 764 63.546 0.0208054 -3.54282 63.546000 Cu 0.318764 0.445747 1.19817e-19 766 63.546 0.0221308 -3.54468 63.546000 Cu 0.37955 0.425661 3.18713e-17 739 63.546 0.0068935 -3.54242 63.546000 Cu 0.401577 0.460074 1.22333e-16 767 63.546 0.0248637 -3.53709 63.546000 Cu 0.390281 0.443052 0.5 768 63.546 0.0132889 -3.54306 63.546000 Cu 0.461124 0.440281 9.4895e-17 770 63.546 0.00466636 -3.53921 63.546000 Cu 0.473266 0.457626 0.5 773 63.546 0.0433302 -3.53793 63.546000 Cu 0.542493 0.455204 1 771 63.546 0.0399717 -3.52704 63.546000 Cu 0.530967 0.437571 0.5 772 63.546 0.0120471 -3.53514 63.546000 Cu 0.600321 0.435096 3.18713e-17 774 63.546 0.0143691 -3.5347 63.546000 Cu 0.610032 0.452899 0.5 777 63.546 0.0320382 -3.52529 63.546000 Cu 0.678121 0.45064 0 775 63.546 0.0175143 -3.53465 63.546000 Cu 0.669671 0.432841 0.5 776 63.546 0.00430088 -3.53796 63.546000 Cu 0.818764 0.445747 1 724 63.546 0.0221308 -3.54468 63.546000 Cu 0.809315 0.428257 0.5 725 63.546 0.00870533 -3.54332 63.546000 Cu 0.739288 0.430624 0 778 63.546 0.00297884 -3.54143 63.546000 Cu 0.74767 0.448308 0.5 779 63.546 0.0208054 -3.54282 63.546000 Cu 0.87955 0.425661 1 726 63.546 0.0068935 -3.54242 63.546000 Cu 0.961124 0.440281 1 727 63.546 0.00466636 -3.53921 63.546000 Cu 0.890281 0.443052 0.5 729 63.546 0.0132889 -3.54306 63.546000 Cu 0.901577 0.460074 1.19817e-19 754 63.546 0.0248637 -3.53709 63.546000 Cu 0.973266 0.457626 0.5 756 63.546 0.0433302 -3.53793 63.546000 Cu 0.119849 0.471319 0 759 63.546 0.0555426 -3.49943 63.546000 Cu 0.0544187 0.473461 0.5 761 63.546 0.117094 -3.52297 63.546000 Cu 0.0640858 0.49191 2.9475e-17 784 63.546 0.21755 -3.52869 63.546000 Cu 0.131713 0.491031 0.5 785 63.546 0.449644 -3.46593 63.546000 Cu 0.185611 0.468717 0.5 765 63.546 0.153514 -3.5097 63.546000 Cu 0.25564 0.46578 3.59451e-19 763 63.546 0.0886558 -3.53634 63.546000 Cu 0.328153 0.462797 0.5 769 63.546 0.0273966 -3.53736 63.546000 Cu 0.194071 0.487298 1 786 63.546 1.01419 -3.40669 63.546000 Cu 0.263474 0.482668 0.5 788 63.546 0.948637 -3.44493 63.546000 Cu 0.275204 0.498687 3.59451e-19 787 63.546 9.29013 -3.28808 63.546000 Cu 0.338404 0.479196 3.18713e-17 789 63.546 0.0397437 -3.51375 63.546000 Cu 0.346265 0.495234 0.5 792 63.546 4.39627 -3.43619 63.546000 Cu 0.422954 0.492984 7.47658e-17 790 63.546 0.382017 -3.49479 63.546000 Cu 0.412115 0.476767 0.5 791 63.546 0.0635239 -3.52905 63.546000 Cu 0.485427 0.47488 3.18713e-17 793 63.546 0.161887 -3.52374 63.546000 Cu 0.493978 0.492444 0.5 796 63.546 0.171663 -3.53029 63.546000 Cu 0.631713 0.491031 0.5 9 63.546 0.449644 -3.46593 63.546000 Cu 0.619849 0.471319 1 400 63.546 0.0555426 -3.49943 63.546000 Cu 0.564086 0.49191 1 794 63.546 0.21755 -3.52869 63.546000 Cu 0.554419 0.473461 0.5 795 63.546 0.117094 -3.52297 63.546000 Cu 0.685611 0.468717 0.5 11 63.546 0.153514 -3.5097 63.546000 Cu 0.763474 0.482668 0.5 1 63.546 0.948637 -3.44493 63.546000 Cu 0.75564 0.46578 3.18713e-17 3 63.546 0.0886558 -3.53634 63.546000 Cu 0.694071 0.487298 0 394 63.546 1.01419 -3.40669 63.546000 Cu 0.828153 0.462797 0.5 753 63.546 0.0273966 -3.53736 63.546000 Cu 0.775204 0.498687 3.59451e-19 780 63.546 9.29013 -3.28808 63.546000 Cu 0.838404 0.479196 1 752 63.546 0.0397437 -3.51375 63.546000 Cu 0.846265 0.495234 0.5 781 63.546 4.39627 -3.43619 63.546000 Cu 0.985427 0.47488 0 755 63.546 0.161887 -3.52374 63.546000 Cu 0.912115 0.476767 0.5 757 63.546 0.0635239 -3.52905 63.546000 Cu 0.922954 0.492984 3.59451e-19 782 63.546 0.382017 -3.49479 63.546000 Cu 0.993978 0.492444 0.5 783 63.546 0.171663 -3.53029 63.546000 Cu 0.0678866 0.510096 0.5 7 63.546 0.252424 -3.52912 63.546000 Cu 0.0642045 0.528264 3.18713e-17 32 63.546 0.217503 -3.52895 63.546000 Cu 0.131722 0.529182 0.5 34 63.546 0.391903 -3.47159 63.546000 Cu 0.141323 0.510068 1 6 63.546 1.69479 -3.50282 63.546000 Cu 0.213994 0.510493 0.5 8 63.546 7.91447 -3.45566 63.546000 Cu 0.275892 0.521676 9.94481e-18 10 63.546 9.1231 -3.28354 63.546000 Cu 0.194298 0.532801 2.82768e-17 36 63.546 0.889513 -3.41975 63.546000 Cu 0.263791 0.537556 0.5 39 63.546 0.84417 -3.44679 63.546000 Cu 0.358762 0.510105 6.75768e-17 12 63.546 6.20938 -3.22222 63.546000 Cu 0.423245 0.527226 3.18713e-17 13 63.546 0.37319 -3.49701 63.546000 Cu 0.426994 0.510105 0.5 14 63.546 0.475646 -3.51419 63.546000 Cu 0.346755 0.525033 0.5 15 63.546 4.32289 -3.43832 63.546000 Cu 0.496833 0.510102 9.92084e-17 16 63.546 0.118739 -3.53852 63.546000 Cu 0.494172 0.527761 0.5 19 63.546 0.169986 -3.53097 63.546000 Cu 0.564205 0.528264 1 17 63.546 0.217503 -3.52895 63.546000 Cu 0.567887 0.510096 0.5 18 63.546 0.252424 -3.52912 63.546000 Cu 0.631722 0.529182 0.5 23 63.546 0.391903 -3.47159 63.546000 Cu 0.641323 0.510068 1 20 63.546 1.69479 -3.50282 63.546000 Cu 0.694298 0.532801 3.95396e-17 21 63.546 0.889513 -3.41975 63.546000 Cu 0.713994 0.510493 0.5 22 63.546 7.91447 -3.45566 63.546000 Cu 0.775892 0.521676 1 24 63.546 9.1231 -3.28354 63.546000 Cu 0.763791 0.537556 0.5 27 63.546 0.84417 -3.44679 63.546000 Cu 0.996833 0.510102 1.19817e-19 4 63.546 0.118739 -3.53852 63.546000 Cu 0.994172 0.527761 0.5 30 63.546 0.169986 -3.53097 63.546000 Cu 0.858762 0.510105 1 2 63.546 6.20938 -3.22222 63.546000 Cu 0.926994 0.510105 0.5 5 63.546 0.475646 -3.51419 63.546000 Cu 0.846755 0.525033 0.5 26 63.546 4.32289 -3.43832 63.546000 Cu 0.923245 0.527226 3.59451e-19 28 63.546 0.37319 -3.49701 63.546000 Cu 0.120166 0.548844 1.22333e-16 33 63.546 0.0517179 -3.50022 63.546000 Cu 0.0547419 0.54674 0.5 35 63.546 0.113779 -3.52366 63.546000 Cu 0.0430771 0.564993 3.88207e-17 60 63.546 0.0414814 -3.52748 63.546000 Cu 0.11058 0.567276 0.5 62 63.546 0.0328989 -3.52492 63.546000 Cu 0.185904 0.551434 0.5 37 63.546 0.159605 -3.51018 63.546000 Cu 0.256002 0.554367 1.51209e-16 38 63.546 0.0996801 -3.5356 63.546000 Cu 0.178655 0.569503 3.18713e-17 64 63.546 0.0180801 -3.5344 63.546000 Cu 0.248231 0.571821 0.5 67 63.546 0.0232095 -3.54271 63.546000 Cu 0.328657 0.5574 0.5 43 63.546 0.0286793 -3.53612 63.546000 Cu 0.319365 0.574402 0 68 63.546 0.024867 -3.54452 63.546000 Cu 0.339012 0.54107 1.39946e-16 40 63.546 0.0447962 -3.51203 63.546000 Cu 0.402175 0.560162 1.19817e-19 41 63.546 0.0258109 -3.53661 63.546000 Cu 0.412668 0.543468 0.5 42 63.546 0.0671779 -3.5295 63.546000 Cu 0.473825 0.562598 0.5 47 63.546 0.0429961 -3.53799 63.546000 Cu 0.485805 0.545337 0 44 63.546 0.160212 -3.52486 63.546000 Cu 0.543077 0.564993 1.22693e-16 45 63.546 0.0414814 -3.52748 63.546000 Cu 0.554742 0.54674 0.5 46 63.546 0.113779 -3.52366 63.546000 Cu 0.620166 0.548844 1.10591e-16 48 63.546 0.0517179 -3.50022 63.546000 Cu 0.61058 0.567276 0.5 51 63.546 0.0328989 -3.52492 63.546000 Cu 0.678655 0.569503 7.44063e-17 49 63.546 0.0180801 -3.5344 63.546000 Cu 0.685904 0.551434 0.5 50 63.546 0.159605 -3.51018 63.546000 Cu 0.756002 0.554367 1 52 63.546 0.0996801 -3.5356 63.546000 Cu 0.748231 0.571821 0.5 55 63.546 0.0232095 -3.54271 63.546000 Cu 0.819365 0.574402 4.76872e-17 53 63.546 0.024867 -3.54452 63.546000 Cu 0.828657 0.5574 0.5 54 63.546 0.0286793 -3.53612 63.546000 Cu 0.985805 0.545337 1 29 63.546 0.160212 -3.52486 63.546000 Cu 0.839012 0.54107 1 25 63.546 0.0447962 -3.51203 63.546000 Cu 0.912668 0.543468 0.5 31 63.546 0.0671779 -3.5295 63.546000 Cu 0.902175 0.560162 1 56 63.546 0.0258109 -3.53661 63.546000 Cu 0.973825 0.562598 0.5 58 63.546 0.0429961 -3.53799 63.546000 Cu 0.101074 0.585072 6.51804e-17 61 63.546 0.0154793 -3.53442 63.546000 Cu 0.0317174 0.58261 0.5 63 63.546 0.0124193 -3.53481 63.546000 Cu 0.0210043 0.599997 1.19817e-19 88 63.546 0.00257373 -3.53812 63.546000 Cu 0.0912055 0.60255 0.5 90 63.546 0.00440709 -3.53806 63.546000 Cu 0.161241 0.604913 1.32997e-17 92 63.546 0.00371124 -3.5389 63.546000 Cu 0.170406 0.587297 0.5 65 63.546 0.00415644 -3.53802 63.546000 Cu 0.240055 0.589501 0 66 63.546 0.00353457 -3.54163 63.546000 Cu 0.230977 0.607196 0.5 95 63.546 0.00112596 -3.53991 63.546000 Cu 0.300623 0.609545 7.21298e-17 96 63.546 0.00144529 -3.54068 63.546000 Cu 0.310078 0.591878 0.5 71 63.546 0.00950948 -3.54341 63.546000 Cu 0.380364 0.594502 1.19817e-19 69 63.546 0.0066098 -3.54266 63.546000 Cu 0.390941 0.577149 0.5 70 63.546 0.0124786 -3.54296 63.546000 Cu 0.461872 0.579925 1 72 63.546 0.0051306 -3.53899 63.546000 Cu 0.450719 0.59727 0.5 75 63.546 0.00169957 -3.54024 63.546000 Cu 0.370377 0.612051 0.5 98 63.546 0.00289567 -3.54093 63.546000 Cu 0.440451 0.614693 1.19817e-19 100 63.546 0.00183138 -3.54065 63.546000 Cu 0.521004 0.599997 1 73 63.546 0.00257373 -3.53812 63.546000 Cu 0.531717 0.58261 0.5 74 63.546 0.0124193 -3.53481 63.546000 Cu 0.601074 0.585072 1 76 63.546 0.0154793 -3.53442 63.546000 Cu 0.591205 0.60255 0.5 79 63.546 0.00440709 -3.53806 63.546000 Cu 0.661241 0.604913 0 77 63.546 0.00371124 -3.5389 63.546000 Cu 0.670406 0.587297 0.5 78 63.546 0.00415644 -3.53802 63.546000 Cu 0.740055 0.589501 3.18713e-17 80 63.546 0.00353457 -3.54163 63.546000 Cu 0.800623 0.609545 1 81 63.546 0.00144529 -3.54068 63.546000 Cu 0.730977 0.607196 0.5 83 63.546 0.00112596 -3.53991 63.546000 Cu 0.810078 0.591878 0.5 82 63.546 0.00950948 -3.54341 63.546000 Cu 0.961872 0.579925 1 57 63.546 0.0051306 -3.53899 63.546000 Cu 0.890941 0.577149 0.5 59 63.546 0.0124786 -3.54296 63.546000 Cu 0.880364 0.594502 1.07835e-18 84 63.546 0.0066098 -3.54266 63.546000 Cu 0.940451 0.614693 2.39634e-19 85 63.546 0.00183138 -3.54065 63.546000 Cu 0.950719 0.59727 0.5 86 63.546 0.00169957 -3.54024 63.546000 Cu 0.870377 0.612051 0.5 87 63.546 0.00289567 -3.54093 63.546000 Cu 0.08117 0.619941 1.22573e-16 89 63.546 0.000734125 -3.53994 63.546000 Cu 0.010795 0.617354 0.5 91 63.546 0.000416263 -3.54016 63.546000 Cu 0.000796703 0.634778 1.19817e-19 116 63.546 0.000464596 -3.54082 63.546000 Cu 0.0711059 0.637361 0.5 118 63.546 0.000132764 -3.54059 63.546000 Cu 0.151406 0.622418 0.5 93 63.546 0.00155383 -3.53977 63.546000 Cu 0.14136 0.639891 0 120 63.546 0.000419178 -3.54017 63.546000 Cu 0.221367 0.624816 8.57889e-17 94 63.546 0.00121876 -3.53947 63.546000 Cu 0.291051 0.62721 0.5 99 63.546 0.000239493 -3.53948 63.546000 Cu 0.211439 0.642372 0.5 122 63.546 0.000671886 -3.53965 63.546000 Cu 0.281303 0.644819 0 124 63.546 0.000415513 -3.53939 63.546000 Cu 0.360722 0.629658 6.26643e-17 97 63.546 0.000698194 -3.54009 63.546000 Cu 0.430631 0.632189 0.5 103 63.546 0.0011267 -3.54069 63.546000 Cu 0.35107 0.647264 0.5 126 63.546 0.000114447 -3.53977 63.546000 Cu 0.420927 0.649738 2.37238e-17 128 63.546 0.000317846 -3.54031 63.546000 Cu 0.490949 0.652255 0.5 130 63.546 0.000424981 -3.54057 63.546000 Cu 0.500797 0.634778 1.22453e-16 101 63.546 0.000464596 -3.54082 63.546000 Cu 0.510795 0.617354 0.5 102 63.546 0.000416263 -3.54016 63.546000 Cu 0.58117 0.619941 3.18713e-17 104 63.546 0.000734125 -3.53994 63.546000 Cu 0.571106 0.637361 0.5 107 63.546 0.000132764 -3.54059 63.546000 Cu 0.64136 0.639891 1.22453e-16 105 63.546 0.000419178 -3.54017 63.546000 Cu 0.651406 0.622418 0.5 106 63.546 0.00155383 -3.53977 63.546000 Cu 0.721367 0.624816 7.0692e-18 108 63.546 0.00121876 -3.53947 63.546000 Cu 0.781303 0.644819 5.03231e-18 109 63.546 0.000415513 -3.53939 63.546000 Cu 0.791051 0.62721 0.5 110 63.546 0.000239493 -3.53948 63.546000 Cu 0.711439 0.642372 0.5 111 63.546 0.000671886 -3.53965 63.546000 Cu 0.990949 0.652255 0.5 119 63.546 0.000424981 -3.54057 63.546000 Cu 0.860722 0.629658 1 112 63.546 0.000698194 -3.54009 63.546000 Cu 0.920927 0.649738 3.59451e-19 113 63.546 0.000317846 -3.54031 63.546000 Cu 0.930631 0.632189 0.5 114 63.546 0.0011267 -3.54069 63.546000 Cu 0.85107 0.647264 0.5 115 63.546 0.000114447 -3.53977 63.546000 Cu 0.0611196 0.654809 1.22573e-16 117 63.546 0.000133622 -3.54054 63.546000 Cu 0.131301 0.657359 0.5 123 63.546 8.13355e-05 -3.54034 63.546000 Cu 0.0411526 0.689823 1.64149e-17 145 63.546 0.000119115 -3.54035 63.546000 Cu 0.0511262 0.672301 0.5 146 63.546 0.000154852 -3.54049 63.546000 Cu 0.121234 0.674848 0 148 63.546 1.24036e-05 -3.54054 63.546000 Cu 0.201387 0.65988 1 121 63.546 0.000181762 -3.53991 63.546000 Cu 0.271355 0.662365 0.5 127 63.546 0.000144258 -3.53971 63.546000 Cu 0.191357 0.677385 0.5 150 63.546 8.49902e-05 -3.5403 63.546000 Cu 0.261379 0.679897 3.18713e-17 152 63.546 0.000120162 -3.54012 63.546000 Cu 0.331327 0.682381 0.5 154 63.546 5.33588e-05 -3.54016 63.546000 Cu 0.341282 0.664831 2.6839e-17 125 63.546 9.94034e-05 -3.53974 63.546000 Cu 0.411156 0.667294 0.5 131 63.546 7.31595e-05 -3.54005 63.546000 Cu 0.401243 0.684851 3.18713e-17 156 63.546 7.24325e-06 -3.54026 63.546000 Cu 0.471177 0.687326 0.5 158 63.546 4.76894e-05 -3.54035 63.546000 Cu 0.481113 0.66978 0 129 63.546 0.000187521 -3.54042 63.546000 Cu 0.56112 0.654809 1 132 63.546 0.000133622 -3.54054 63.546000 Cu 0.621234 0.674848 4.33737e-17 133 63.546 1.24036e-05 -3.54054 63.546000 Cu 0.631301 0.657359 0.5 134 63.546 8.13355e-05 -3.54034 63.546000 Cu 0.551126 0.672301 0.5 135 63.546 0.000154852 -3.54049 63.546000 Cu 0.541153 0.689823 1 160 63.546 0.000119115 -3.54035 63.546000 Cu 0.701387 0.65988 3.18713e-17 136 63.546 0.000181762 -3.53991 63.546000 Cu 0.761379 0.679897 1.22453e-16 137 63.546 0.000120162 -3.54012 63.546000 Cu 0.771355 0.662365 0.5 138 63.546 0.000144258 -3.53971 63.546000 Cu 0.691357 0.677385 0.5 139 63.546 8.49902e-05 -3.5403 63.546000 Cu 0.831327 0.682381 0.5 143 63.546 5.33588e-05 -3.54016 63.546000 Cu 0.981113 0.66978 3.59451e-19 144 63.546 0.000187521 -3.54042 63.546000 Cu 0.841282 0.664831 1 140 63.546 9.94034e-05 -3.53974 63.546000 Cu 0.901243 0.684851 1 141 63.546 7.24325e-06 -3.54026 63.546000 Cu 0.911156 0.667294 0.5 142 63.546 7.31595e-05 -3.54005 63.546000 Cu 0.971177 0.687326 0.5 147 63.546 4.76894e-05 -3.54035 63.546000 Cu 0.111194 0.692348 0.5 151 63.546 6.23956e-05 -3.54043 63.546000 Cu 0.0211728 0.724909 4.9125e-17 173 63.546 2.71654e-05 -3.54017 63.546000 Cu 0.0311825 0.707364 0.5 174 63.546 3.8303e-05 -3.54028 63.546000 Cu 0.101182 0.709871 7.34478e-17 176 63.546 6.12578e-05 -3.54045 63.546000 Cu 0.0911505 0.727411 0.5 179 63.546 2.77865e-05 -3.54028 63.546000 Cu 0.161125 0.729922 3.97792e-17 177 63.546 1.63534e-05 -3.54025 63.546000 Cu 0.181285 0.694886 9.22591e-17 149 63.546 1.14824e-05 -3.54034 63.546000 Cu 0.251343 0.697418 0.5 155 63.546 7.93418e-05 -3.54004 63.546000 Cu 0.171219 0.7124 0.5 178 63.546 2.0748e-05 -3.54038 63.546000 Cu 0.241241 0.714925 7.3328e-17 180 63.546 6.19199e-06 -3.54013 63.546000 Cu 0.321317 0.699924 1.22333e-16 153 63.546 9.56932e-05 -3.54002 63.546000 Cu 0.311265 0.717442 0.5 182 63.546 3.13434e-05 -3.53992 63.546000 Cu 0.461215 0.704881 7.39271e-17 157 63.546 7.9462e-06 -3.54013 63.546000 Cu 0.391284 0.702407 0.5 159 63.546 5.89668e-05 -3.54012 63.546000 Cu 0.381241 0.719939 3.18713e-17 184 63.546 2.52209e-05 -3.53991 63.546000 Cu 0.451232 0.722424 0.5 186 63.546 3.60383e-05 -3.53994 63.546000 Cu 0.601182 0.709871 0 161 63.546 6.12578e-05 -3.54045 63.546000 Cu 0.611194 0.692348 0.5 162 63.546 6.23956e-05 -3.54043 63.546000 Cu 0.531183 0.707364 0.5 163 63.546 3.8303e-05 -3.54028 63.546000 Cu 0.521173 0.724909 0 188 63.546 2.71654e-05 -3.54017 63.546000 Cu 0.591151 0.727411 0.5 190 63.546 2.77865e-05 -3.54028 63.546000 Cu 0.661125 0.729922 1.47375e-17 192 63.546 1.63534e-05 -3.54025 63.546000 Cu 0.681285 0.694886 4.66088e-17 164 63.546 1.14824e-05 -3.54034 63.546000 Cu 0.741241 0.714925 1.29402e-17 165 63.546 6.19199e-06 -3.54013 63.546000 Cu 0.751343 0.697418 0.5 166 63.546 7.93418e-05 -3.54004 63.546000 Cu 0.671219 0.7124 0.5 167 63.546 2.0748e-05 -3.54038 63.546000 Cu 0.821317 0.699924 0 168 63.546 9.56932e-05 -3.54002 63.546000 Cu 0.811265 0.717442 0.5 171 63.546 3.13434e-05 -3.53992 63.546000 Cu 0.881241 0.719939 3.18713e-17 169 63.546 2.52209e-05 -3.53991 63.546000 Cu 0.891284 0.702407 0.5 170 63.546 5.89668e-05 -3.54012 63.546000 Cu 0.961215 0.704881 1.12748e-16 172 63.546 7.9462e-06 -3.54013 63.546000 Cu 0.951232 0.722424 0.5 175 63.546 3.60383e-05 -3.53994 63.546000 Cu 0.000976102 0.760011 0 201 63.546 2.38757e-05 -3.54018 63.546000 Cu 0.0110815 0.742459 0.5 202 63.546 5.2607e-06 -3.54036 63.546000 Cu 0.0810582 0.744949 1.67744e-18 204 63.546 1.75075e-05 -3.5402 63.546000 Cu 0.0709278 0.762489 0.5 207 63.546 2.75714e-05 -3.54011 63.546000 Cu 0.140933 0.764982 0 205 63.546 2.65619e-05 -3.54024 63.546000 Cu 0.151027 0.747448 0.5 206 63.546 3.12321e-05 -3.54019 63.546000 Cu 0.301167 0.734962 6.50606e-17 181 63.546 1.45263e-05 -3.54037 63.546000 Cu 0.231149 0.732444 0.5 183 63.546 1.86102e-06 -3.54034 63.546000 Cu 0.210922 0.767495 0.5 208 63.546 3.11319e-05 -3.54035 63.546000 Cu 0.221056 0.749968 3.18713e-17 209 63.546 7.66546e-06 -3.54029 63.546000 Cu 0.291063 0.752495 0.5 211 63.546 8.2578e-06 -3.5404 63.546000 Cu 0.44114 0.739968 0 185 63.546 1.37486e-05 -3.54028 63.546000 Cu 0.371184 0.737471 0.5 187 63.546 4.07964e-05 -3.54035 63.546000 Cu 0.36107 0.755021 3.18713e-17 212 63.546 5.25847e-05 -3.54023 63.546000 Cu 0.43099 0.757523 0.5 214 63.546 5.87895e-05 -3.54016 63.546000 Cu 0.581058 0.744949 0 189 63.546 1.75075e-05 -3.5402 63.546000 Cu 0.511082 0.742459 0.5 191 63.546 5.2607e-06 -3.54036 63.546000 Cu 0.500976 0.760011 1 216 63.546 2.38757e-05 -3.54018 63.546000 Cu 0.570928 0.762489 0.5 218 63.546 2.75714e-05 -3.54011 63.546000 Cu 0.651027 0.747448 0.5 195 63.546 3.12321e-05 -3.54019 63.546000 Cu 0.640933 0.764982 1.19817e-19 220 63.546 2.65619e-05 -3.54024 63.546000 Cu 0.721056 0.749968 7.23694e-17 193 63.546 7.66546e-06 -3.54029 63.546000 Cu 0.731149 0.732444 0.5 194 63.546 1.86102e-06 -3.54034 63.546000 Cu 0.801167 0.734962 3.18713e-17 196 63.546 1.45263e-05 -3.54037 63.546000 Cu 0.791063 0.752495 0.5 199 63.546 8.2578e-06 -3.5404 63.546000 Cu 0.710922 0.767495 0.5 222 63.546 3.11319e-05 -3.54035 63.546000 Cu 0.86107 0.755021 3.18713e-17 197 63.546 5.25847e-05 -3.54023 63.546000 Cu 0.871184 0.737471 0.5 198 63.546 4.07964e-05 -3.54035 63.546000 Cu 0.94114 0.739968 0 200 63.546 1.37486e-05 -3.54028 63.546000 Cu 0.93099 0.757523 0.5 203 63.546 5.87895e-05 -3.54016 63.546000 Cu 0.0608725 0.780028 2.51616e-18 232 63.546 1.63615e-05 -3.53997 63.546000 Cu 0.120768 0.800062 3.18713e-17 233 63.546 3.40463e-05 -3.54004 63.546000 Cu 0.130839 0.782518 0.5 234 63.546 3.80928e-05 -3.54008 63.546000 Cu 0.0508578 0.797573 0.5 235 63.546 2.53143e-05 -3.53998 63.546000 Cu 0.280949 0.770028 3.18713e-17 210 63.546 4.50612e-06 -3.54044 63.546000 Cu 0.200815 0.785034 3.18713e-17 236 63.546 2.50221e-05 -3.5403 63.546000 Cu 0.190738 0.80257 0.5 237 63.546 3.61582e-05 -3.54029 63.546000 Cu 0.260778 0.805092 3.18713e-17 238 63.546 6.95711e-06 -3.54039 63.546000 Cu 0.27084 0.787567 0.5 239 63.546 1.98072e-05 -3.54039 63.546000 Cu 0.330841 0.807617 0.5 243 63.546 9.45723e-06 -3.54037 63.546000 Cu 0.420936 0.77506 1 213 63.546 1.76327e-05 -3.54014 63.546000 Cu 0.350945 0.772555 0.5 215 63.546 2.67292e-05 -3.54019 63.546000 Cu 0.34088 0.790092 1 240 63.546 3.03559e-05 -3.54028 63.546000 Cu 0.410912 0.792603 0.5 242 63.546 4.13794e-05 -3.54017 63.546000 Cu 0.49092 0.777548 0.5 219 63.546 4.87594e-06 -3.54005 63.546000 Cu 0.480894 0.795091 0 244 63.546 1.07878e-05 -3.54007 63.546000 Cu 0.560873 0.780028 1 217 63.546 1.63615e-05 -3.53997 63.546000 Cu 0.630839 0.782518 0.5 223 63.546 3.80928e-05 -3.54008 63.546000 Cu 0.550858 0.797573 0.5 246 63.546 2.53143e-05 -3.53998 63.546000 Cu 0.620768 0.800062 0 248 63.546 3.40463e-05 -3.54004 63.546000 Cu 0.700815 0.785034 3.18713e-17 221 63.546 2.50221e-05 -3.5403 63.546000 Cu 0.780949 0.770028 2.04887e-17 224 63.546 4.50612e-06 -3.54044 63.546000 Cu 0.77084 0.787567 0.5 227 63.546 1.98072e-05 -3.54039 63.546000 Cu 0.690738 0.80257 0.5 250 63.546 3.61582e-05 -3.54029 63.546000 Cu 0.760778 0.805092 1 252 63.546 6.95711e-06 -3.54039 63.546000 Cu 0.830841 0.807617 0.5 254 63.546 9.45723e-06 -3.54037 63.546000 Cu 0.980894 0.795091 3.18713e-17 229 63.546 1.07878e-05 -3.54007 63.546000 Cu 0.99092 0.777548 0.5 230 63.546 4.87594e-06 -3.54005 63.546000 Cu 0.84088 0.790092 3.18713e-17 225 63.546 3.03559e-05 -3.54028 63.546000 Cu 0.850945 0.772555 0.5 226 63.546 2.67292e-05 -3.54019 63.546000 Cu 0.920936 0.77506 7.81207e-17 228 63.546 1.76327e-05 -3.54014 63.546000 Cu 0.910912 0.792603 0.5 231 63.546 4.13794e-05 -3.54017 63.546000 Cu 0.0407807 0.815127 1 260 63.546 1.01668e-05 -3.54004 63.546000 Cu 0.100599 0.83517 3.18713e-17 261 63.546 8.7588e-05 -3.53992 63.546000 Cu 0.110676 0.817618 0.5 262 63.546 3.022e-05 -3.54002 63.546000 Cu 0.030702 0.832697 0.5 263 63.546 4.3843e-05 -3.54022 63.546000 Cu 0.180643 0.820109 3.18713e-17 264 63.546 5.28334e-05 -3.54026 63.546000 Cu 0.170571 0.837643 0.5 265 63.546 0.000102758 -3.53998 63.546000 Cu 0.240603 0.840137 1 266 63.546 8.33248e-05 -3.53997 63.546000 Cu 0.250696 0.822619 0.5 267 63.546 1.77131e-05 -3.54039 63.546000 Cu 0.320795 0.825147 1 268 63.546 4.28736e-05 -3.54043 63.546000 Cu 0.310659 0.842657 0.5 271 63.546 6.25177e-05 -3.54018 63.546000 Cu 0.400874 0.810133 1 241 63.546 3.27413e-05 -3.54018 63.546000 Cu 0.470857 0.812634 0.5 247 63.546 3.64106e-05 -3.54013 63.546000 Cu 0.38072 0.84521 1 269 63.546 7.40083e-05 -3.54046 63.546000 Cu 0.390841 0.827677 0.5 270 63.546 0.000102085 -3.54041 63.546000 Cu 0.460786 0.830197 0 272 63.546 4.89e-05 -3.54049 63.546000 Cu 0.540781 0.815127 0 245 63.546 1.01668e-05 -3.54004 63.546000 Cu 0.610676 0.817618 0.5 251 63.546 3.022e-05 -3.54002 63.546000 Cu 0.530702 0.832697 0.5 274 63.546 4.3843e-05 -3.54022 63.546000 Cu 0.600599 0.83517 1.19817e-19 276 63.546 8.7588e-05 -3.53992 63.546000 Cu 0.680643 0.820109 0 249 63.546 5.28334e-05 -3.54026 63.546000 Cu 0.750696 0.822619 0.5 255 63.546 1.77131e-05 -3.54039 63.546000 Cu 0.670571 0.837643 0.5 278 63.546 0.000102758 -3.53998 63.546000 Cu 0.740603 0.840137 3.18713e-17 280 63.546 8.33248e-05 -3.53997 63.546000 Cu 0.820795 0.825147 0 253 63.546 4.28736e-05 -3.54043 63.546000 Cu 0.810659 0.842657 0.5 282 63.546 6.25177e-05 -3.54018 63.546000 Cu 0.900874 0.810133 0 256 63.546 3.27413e-05 -3.54018 63.546000 Cu 0.960786 0.830197 5.11618e-17 257 63.546 4.89e-05 -3.54049 63.546000 Cu 0.970857 0.812634 0.5 258 63.546 3.64106e-05 -3.54013 63.546000 Cu 0.890841 0.827677 0.5 259 63.546 0.000102085 -3.54041 63.546000 Cu 0.88072 0.84521 3.77423e-17 284 63.546 7.40083e-05 -3.54046 63.546000 Cu 0.0207275 0.85027 0 288 63.546 0.000169757 -3.54042 63.546000 Cu 0.0807946 0.870311 1.19817e-19 289 63.546 0.000191121 -3.54034 63.546000 Cu 0.0906456 0.852735 0.5 290 63.546 2.77056e-05 -3.54005 63.546000 Cu 0.0107918 0.867826 0.5 291 63.546 0.000517533 -3.54063 63.546000 Cu 0.160578 0.855189 0 292 63.546 0.000160136 -3.53995 63.546000 Cu 0.150679 0.872776 0.5 293 63.546 0.000185794 -3.53998 63.546000 Cu 0.220421 0.875233 5.60743e-17 294 63.546 0.000372999 -3.53948 63.546000 Cu 0.230515 0.857664 0.5 295 63.546 0.000299458 -3.53964 63.546000 Cu 0.300456 0.860178 0 296 63.546 0.000165655 -3.53981 63.546000 Cu 0.290199 0.877706 0.5 299 63.546 0.000681274 -3.53949 63.546000 Cu 0.450739 0.847764 0.5 275 63.546 0.000279136 -3.54069 63.546000 Cu 0.360209 0.880211 1.22453e-16 297 63.546 0.000528163 -3.54016 63.546000 Cu 0.370493 0.862727 0.5 298 63.546 8.22131e-05 -3.54033 63.546000 Cu 0.440628 0.865291 3.18713e-17 300 63.546 0.000324563 -3.54075 63.546000 Cu 0.430509 0.882761 0.5 303 63.546 0.000131015 -3.54069 63.546000 Cu 0.520727 0.85027 1.11669e-16 273 63.546 0.000169757 -3.54042 63.546000 Cu 0.590646 0.852735 0.5 279 63.546 2.77056e-05 -3.54005 63.546000 Cu 0.510792 0.867826 0.5 302 63.546 0.000517533 -3.54063 63.546000 Cu 0.580795 0.870311 1.22693e-16 304 63.546 0.000191121 -3.54034 63.546000 Cu 0.660578 0.855189 3.87009e-17 277 63.546 0.000160136 -3.53995 63.546000 Cu 0.650679 0.872776 0.5 306 63.546 0.000185794 -3.53998 63.546000 Cu 0.800456 0.860178 3.18713e-17 281 63.546 0.000165655 -3.53981 63.546000 Cu 0.730515 0.857664 0.5 283 63.546 0.000299458 -3.53964 63.546000 Cu 0.720421 0.875233 9.60932e-17 308 63.546 0.000372999 -3.53948 63.546000 Cu 0.790199 0.877706 0.5 310 63.546 0.000681274 -3.53949 63.546000 Cu 0.940628 0.865291 7.57243e-17 285 63.546 0.000324563 -3.54075 63.546000 Cu 0.950739 0.847764 0.5 286 63.546 0.000279136 -3.54069 63.546000 Cu 0.870493 0.862727 0.5 287 63.546 8.22131e-05 -3.54033 63.546000 Cu 0.860209 0.880211 6.82957e-17 312 63.546 0.000528163 -3.54016 63.546000 Cu 0.930509 0.882761 0.5 314 63.546 0.000131015 -3.54069 63.546000 Cu 0.000822312 0.885333 1 316 63.546 0.000758452 -3.54076 63.546000 Cu 0.0609086 0.905435 0 317 63.546 0.00227272 -3.54068 63.546000 Cu 0.0709463 0.88789 0.5 318 63.546 0.00114555 -3.54072 63.546000 Cu 0.130851 0.908061 0.5 323 63.546 0.00252036 -3.5409 63.546000 Cu 0.0504086 0.922896 0.5 346 63.546 0.00161738 -3.54026 63.546000 Cu 0.140762 0.890407 1.17421e-16 320 63.546 0.000429214 -3.54015 63.546000 Cu 0.200538 0.910559 1.19817e-19 321 63.546 0.00126594 -3.54071 63.546000 Cu 0.210364 0.892871 0.5 322 63.546 0.00029631 -3.53959 63.546000 Cu 0.280035 0.895282 3.18713e-17 324 63.546 0.00122082 -3.53944 63.546000 Cu 0.270169 0.912916 0.5 327 63.546 0.00138345 -3.53985 63.546000 Cu 0.339944 0.915213 1.22573e-16 325 63.546 0.00354093 -3.53899 63.546000 Cu 0.349972 0.897696 0.5 326 63.546 0.00168604 -3.53982 63.546000 Cu 0.420268 0.900186 3.18713e-17 328 63.546 0.000595541 -3.54004 63.546000 Cu 0.409982 0.917593 0.5 331 63.546 0.00425245 -3.53847 63.546000 Cu 0.480173 0.920158 1.19817e-19 329 63.546 0.00237392 -3.53861 63.546000 Cu 0.49065 0.902775 0.5 330 63.546 0.00067272 -3.54018 63.546000 Cu 0.500822 0.885333 1.19817e-19 301 63.546 0.000758452 -3.54076 63.546000 Cu 0.570946 0.88789 0.5 307 63.546 0.00114555 -3.54072 63.546000 Cu 0.560909 0.905435 1 332 63.546 0.00227272 -3.54068 63.546000 Cu 0.630851 0.908061 0.5 334 63.546 0.00252036 -3.5409 63.546000 Cu 0.550409 0.922896 0.5 335 63.546 0.00161738 -3.54026 63.546000 Cu 0.640762 0.890407 1 305 63.546 0.000429214 -3.54015 63.546000 Cu 0.780035 0.895282 2.0968e-17 309 63.546 0.00122082 -3.53944 63.546000 Cu 0.710364 0.892871 0.5 311 63.546 0.00029631 -3.53959 63.546000 Cu 0.700538 0.910559 0 336 63.546 0.00126594 -3.54071 63.546000 Cu 0.770169 0.912916 0.5 338 63.546 0.00138345 -3.53985 63.546000 Cu 0.99065 0.902775 0.5 319 63.546 0.00067272 -3.54018 63.546000 Cu 0.980173 0.920158 2.34841e-17 344 63.546 0.00237392 -3.53861 63.546000 Cu 0.920268 0.900186 1.03043e-17 313 63.546 0.000595541 -3.54004 63.546000 Cu 0.849972 0.897696 0.5 315 63.546 0.00168604 -3.53982 63.546000 Cu 0.839944 0.915213 3.6664e-17 340 63.546 0.00354093 -3.53899 63.546000 Cu 0.909982 0.917593 0.5 342 63.546 0.00425245 -3.53847 63.546000 Cu 0.0390972 0.940281 0 345 63.546 0.00458062 -3.53914 63.546000 Cu 0.120657 0.925651 1.19817e-19 348 63.546 0.00664331 -3.54244 63.546000 Cu 0.109928 0.943044 0.5 351 63.546 0.0129541 -3.54304 63.546000 Cu 0.0269347 0.957623 0.5 374 63.546 0.0424191 -3.53789 63.546000 Cu 0.098618 0.960072 2.39634e-19 376 63.546 0.0242856 -3.53722 63.546000 Cu 0.181425 0.945737 3.46271e-17 349 63.546 0.0216396 -3.54469 63.546000 Cu 0.190905 0.928244 0.5 350 63.546 0.0084625 -3.54333 63.546000 Cu 0.260927 0.930614 1.47375e-17 352 63.546 0.00286004 -3.54143 63.546000 Cu 0.252495 0.948299 0.5 355 63.546 0.0205621 -3.5428 63.546000 Cu 0.322036 0.950633 1.19817e-19 353 63.546 0.0171745 -3.53466 63.546000 Cu 0.330534 0.932834 0.5 354 63.546 0.0042766 -3.53801 63.546000 Cu 0.399883 0.935096 1 356 63.546 0.0140365 -3.53472 63.546000 Cu 0.457688 0.955198 6.64984e-17 357 63.546 0.0400978 -3.52701 63.546000 Cu 0.469257 0.937573 0.5 358 63.546 0.0115912 -3.53508 63.546000 Cu 0.39014 0.952892 0.5 359 63.546 0.0322194 -3.5253 63.546000 Cu 0.620657 0.925651 1.19817e-19 333 63.546 0.00664331 -3.54244 63.546000 Cu 0.539097 0.940281 0 360 63.546 0.00458062 -3.53914 63.546000 Cu 0.598618 0.960072 1.19817e-19 361 63.546 0.0242856 -3.53722 63.546000 Cu 0.609928 0.943044 0.5 362 63.546 0.0129541 -3.54304 63.546000 Cu 0.526935 0.957623 0.5 363 63.546 0.0424191 -3.53789 63.546000 Cu 0.760927 0.930614 1.22453e-16 337 63.546 0.00286004 -3.54143 63.546000 Cu 0.690905 0.928244 0.5 339 63.546 0.0084625 -3.54333 63.546000 Cu 0.681425 0.945737 0 364 63.546 0.0216396 -3.54469 63.546000 Cu 0.752495 0.948299 0.5 366 63.546 0.0205621 -3.5428 63.546000 Cu 0.830534 0.932834 0.5 343 63.546 0.0042766 -3.53801 63.546000 Cu 0.822036 0.950633 1.23531e-16 368 63.546 0.0171745 -3.53466 63.546000 Cu 0.899883 0.935096 0 341 63.546 0.0140365 -3.53472 63.546000 Cu 0.969257 0.937573 0.5 347 63.546 0.0115912 -3.53508 63.546000 Cu 0.89014 0.952892 0.5 370 63.546 0.0322194 -3.5253 63.546000 Cu 0.957688 0.955198 4.58899e-17 372 63.546 0.0400978 -3.52701 63.546000 Cu 0.153874 0.995235 0.5 409 63.546 4.40777 -3.4366 63.546000 Cu 0.0147175 0.974877 1.22573e-16 373 63.546 0.161375 -3.52348 63.546000 Cu 0.0880309 0.976771 0.5 379 63.546 0.0633435 -3.52897 63.546000 Cu 0.00610466 0.99244 0.5 398 63.546 0.172656 -3.53023 63.546000 Cu 0.0771316 0.992982 3.59451e-19 399 63.546 0.384432 -3.49445 63.546000 Cu 0.161732 0.979203 4.79268e-19 377 63.546 0.0393981 -3.51375 63.546000 Cu 0.224973 0.998679 3.59451e-19 408 63.546 9.2951 -3.28915 63.546000 Cu 0.171999 0.962792 0.5 378 63.546 0.0270637 -3.53771 63.546000 Cu 0.244493 0.965771 1.19817e-19 380 63.546 0.0873066 -3.53668 63.546000 Cu 0.306005 0.987285 2.39634e-19 381 63.546 1.01855 -3.40577 63.546000 Cu 0.236629 0.982667 0.5 383 63.546 0.952111 -3.4446 63.546000 Cu 0.314528 0.968707 0.5 382 63.546 0.153544 -3.51 63.546000 Cu 0.380289 0.971308 3.73829e-17 384 63.546 0.0558461 -3.49953 63.546000 Cu 0.436 0.991898 0 385 63.546 0.21719 -3.52843 63.546000 Cu 0.445728 0.973454 0.5 386 63.546 0.116586 -3.52284 63.546000 Cu 0.368386 0.991022 0.5 387 63.546 0.451066 -3.46577 63.546000 Cu 0.653874 0.995235 0.5 436 63.546 4.40777 -3.4366 63.546000 Cu 0.514718 0.974877 3.59451e-19 388 63.546 0.161375 -3.52348 63.546000 Cu 0.577132 0.992982 2.39634e-19 389 63.546 0.384432 -3.49445 63.546000 Cu 0.588031 0.976771 0.5 390 63.546 0.0633435 -3.52897 63.546000 Cu 0.506105 0.99244 0.5 391 63.546 0.172656 -3.53023 63.546000 Cu 0.661732 0.979203 1.71338e-17 392 63.546 0.0393981 -3.51375 63.546000 Cu 0.724973 0.998679 1.19817e-19 401 63.546 9.2951 -3.28915 63.546000 Cu 0.744493 0.965771 4.96042e-17 365 63.546 0.0873066 -3.53668 63.546000 Cu 0.671999 0.962792 0.5 367 63.546 0.0270637 -3.53771 63.546000 Cu 0.736629 0.982667 0.5 393 63.546 0.952111 -3.4446 63.546000 Cu 0.806005 0.987285 0 395 63.546 1.01855 -3.40577 63.546000 Cu 0.814528 0.968707 0.5 371 63.546 0.153544 -3.51 63.546000 Cu 0.880289 0.971308 3.18713e-17 369 63.546 0.0558461 -3.49953 63.546000 Cu 0.945728 0.973454 0.5 375 63.546 0.116586 -3.52284 63.546000 Cu 0.868386 0.991022 0.5 396 63.546 0.451066 -3.46577 63.546000 Cu 0.936 0.991898 1.22453e-16 397 63.546 0.21719 -3.52843