Number of particles = 796 A = 1 Angstrom (basic length-scale) H0(1,1) = 25.5934 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 102.53 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60774 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 0.0555809 0.0332067 0 423 63.546 0.907908 -3.43135 63.546000 Cu 0.0349328 0.0109261 0.5 424 63.546 8.65412 -3.55211 63.546000 Cu 0.106403 0.0098059 0 426 63.546 2.43577 -3.52247 63.546000 Cu 0.11788 0.0291765 0.5 429 63.546 0.471159 -3.47368 63.546000 Cu 0.185566 0.0283029 8.33045e-17 427 63.546 0.233042 -3.52058 63.546000 Cu 0.180896 0.00993968 0.5 428 63.546 0.407318 -3.52474 63.546000 Cu 0.252667 0.00999839 6.01042e-19 430 63.546 0.17155 -3.53388 63.546000 Cu 0.326603 0.0273384 7.21251e-19 431 63.546 0.333243 -3.50701 63.546000 Cu 0.323112 0.0100164 0.5 432 63.546 0.49215 -3.50015 63.546000 Cu 0.255651 0.0277895 0.5 433 63.546 0.161574 -3.52887 63.546000 Cu 0.391673 0.0100529 1 434 63.546 6.42206 -3.21713 63.546000 Cu 0.474142 0.021853 4.66409e-17 435 63.546 8.99147 -3.31255 63.546000 Cu 0.40314 0.0253484 0.5 437 63.546 4.38178 -3.46015 63.546000 Cu 0.485856 0.0381634 0.5 464 63.546 0.848507 -3.45488 63.546000 Cu 0.606403 0.0098059 4.19528e-17 402 63.546 2.43577 -3.52247 63.546000 Cu 0.534933 0.0109261 0.5 403 63.546 8.65412 -3.55211 63.546000 Cu 0.555581 0.0332067 1.36677e-16 410 63.546 0.907908 -3.43135 63.546000 Cu 0.61788 0.0291765 0.5 412 63.546 0.471159 -3.47368 63.546000 Cu 0.680896 0.00993968 0.5 405 63.546 0.407318 -3.52474 63.546000 Cu 0.685566 0.0283029 0 414 63.546 0.233042 -3.52058 63.546000 Cu 0.752667 0.00999839 2.40417e-19 404 63.546 0.17155 -3.53388 63.546000 Cu 0.823112 0.0100164 0.5 407 63.546 0.49215 -3.50015 63.546000 Cu 0.755651 0.0277895 0.5 416 63.546 0.161574 -3.52887 63.546000 Cu 0.826603 0.0273384 4.66409e-17 418 63.546 0.333243 -3.50701 63.546000 Cu 0.891673 0.0100529 1 406 63.546 6.42206 -3.21713 63.546000 Cu 0.90314 0.0253484 0.5 420 63.546 4.38178 -3.46015 63.546000 Cu 0.974142 0.021853 4.15921e-17 422 63.546 8.99147 -3.31255 63.546000 Cu 0.985856 0.0381634 0.5 425 63.546 0.848507 -3.45488 63.546000 Cu 0.0713965 0.070159 0 451 63.546 0.0226206 -3.53338 63.546000 Cu 0.064048 0.0520101 0.5 452 63.546 0.185403 -3.51057 63.546000 Cu 0.130214 0.0493139 4.66409e-17 454 63.546 0.0820719 -3.50199 63.546000 Cu 0.139736 0.0678469 0.5 457 63.546 0.0369353 -3.52234 63.546000 Cu 0.00164887 0.0725784 0.5 453 63.546 0.0229728 -3.54094 63.546000 Cu 0.207433 0.065554 4.66409e-17 455 63.546 0.0409148 -3.52577 63.546000 Cu 0.195635 0.0470615 0.5 456 63.546 0.107524 -3.52701 63.546000 Cu 0.264212 0.0456578 4.66409e-17 458 63.546 0.152365 -3.52423 63.546000 Cu 0.276183 0.0631578 0.5 461 63.546 0.0417785 -3.53822 63.546000 Cu 0.34723 0.060828 9.61668e-17 459 63.546 0.0357796 -3.53724 63.546000 Cu 0.336886 0.0438888 0.5 460 63.546 0.0714822 -3.53914 63.546000 Cu 0.41047 0.0417674 4.66409e-17 462 63.546 0.0813815 -3.51394 63.546000 Cu 0.493743 0.0551715 4.66409e-17 463 63.546 0.102829 -3.53897 63.546000 Cu 0.420809 0.0581872 0.5 465 63.546 0.0239404 -3.53601 63.546000 Cu 0.430238 0.0751581 5.34928e-17 491 63.546 0.0205384 -3.54383 63.546000 Cu 0.501649 0.0725784 0.5 493 63.546 0.0229728 -3.54094 63.546000 Cu 0.630214 0.0493139 1.37038e-17 411 63.546 0.0820719 -3.50199 63.546000 Cu 0.564048 0.0520101 0.5 413 63.546 0.185403 -3.51057 63.546000 Cu 0.571396 0.070159 4.66409e-17 438 63.546 0.0226206 -3.53338 63.546000 Cu 0.639736 0.0678469 0.5 440 63.546 0.0369353 -3.52234 63.546000 Cu 0.764212 0.0456578 5.68586e-17 415 63.546 0.152365 -3.52423 63.546000 Cu 0.695635 0.0470615 0.5 417 63.546 0.107524 -3.52701 63.546000 Cu 0.707433 0.065554 1.20208e-19 442 63.546 0.0409148 -3.52577 63.546000 Cu 0.776183 0.0631578 0.5 444 63.546 0.0417785 -3.53822 63.546000 Cu 0.836886 0.0438888 0.5 421 63.546 0.0714822 -3.53914 63.546000 Cu 0.84723 0.060828 7.3207e-17 446 63.546 0.0357796 -3.53724 63.546000 Cu 0.91047 0.0417674 3.60625e-19 419 63.546 0.0813815 -3.51394 63.546000 Cu 0.930238 0.0751581 5.92628e-17 447 63.546 0.0205384 -3.54383 63.546000 Cu 0.920809 0.0581872 0.5 448 63.546 0.0239404 -3.53601 63.546000 Cu 0.993743 0.0551715 4.66409e-17 450 63.546 0.102829 -3.53897 63.546000 Cu 0.0888695 0.105451 1.20208e-19 480 63.546 0.00222302 -3.53793 63.546000 Cu 0.079706 0.0878971 0.5 481 63.546 0.00344361 -3.53503 63.546000 Cu 0.149078 0.0856424 2.40417e-19 483 63.546 0.0119144 -3.52989 63.546000 Cu 0.158816 0.103107 0.5 486 63.546 0.00346697 -3.53619 63.546000 Cu 0.00990399 0.0901455 3.60625e-19 479 63.546 0.00363848 -3.54056 63.546000 Cu 0.0190616 0.107744 0.5 482 63.546 0.00109039 -3.5399 63.546000 Cu 0.228887 0.100611 3.60625e-19 484 63.546 0.00274597 -3.53588 63.546000 Cu 0.218398 0.0832212 0.5 485 63.546 0.0124321 -3.53032 63.546000 Cu 0.28802 0.0806172 1.03379e-17 487 63.546 0.00632553 -3.53487 63.546000 Cu 0.299095 0.097938 0.5 490 63.546 0.00106876 -3.53815 63.546000 Cu 0.309443 0.115299 1.22733e-16 517 63.546 0.00129182 -3.5403 63.546000 Cu 0.369394 0.095186 1.23093e-16 488 63.546 0.00465425 -3.5418 63.546000 Cu 0.358644 0.0778711 0.5 489 63.546 0.0106338 -3.543 63.546000 Cu 0.439749 0.0925428 0.5 494 63.546 0.00919111 -3.54348 63.546000 Cu 0.379507 0.112652 0.5 519 63.546 0.00235023 -3.54089 63.546000 Cu 0.449315 0.110121 2.40417e-19 521 63.546 0.00167986 -3.54077 63.546000 Cu 0.509904 0.0901455 2.40417e-19 492 63.546 0.00363848 -3.54056 63.546000 Cu 0.519062 0.107744 0.5 522 63.546 0.00109039 -3.5399 63.546000 Cu 0.649078 0.0856424 6.01042e-19 439 63.546 0.0119144 -3.52989 63.546000 Cu 0.579706 0.0878971 0.5 441 63.546 0.00344361 -3.53503 63.546000 Cu 0.588869 0.105451 1.23214e-16 467 63.546 0.00222302 -3.53793 63.546000 Cu 0.658816 0.103107 0.5 469 63.546 0.00346697 -3.53619 63.546000 Cu 0.78802 0.0806172 1.51583e-16 443 63.546 0.00632553 -3.53487 63.546000 Cu 0.718398 0.0832212 0.5 445 63.546 0.0124321 -3.53032 63.546000 Cu 0.728887 0.100611 3.61827e-17 471 63.546 0.00274597 -3.53588 63.546000 Cu 0.809443 0.115299 8.37853e-17 472 63.546 0.00129182 -3.5403 63.546000 Cu 0.799095 0.097938 0.5 473 63.546 0.00106876 -3.53815 63.546000 Cu 0.858644 0.0778711 0.5 449 63.546 0.0106338 -3.543 63.546000 Cu 0.869394 0.095186 2.44744e-16 475 63.546 0.00465425 -3.5418 63.546000 Cu 0.949315 0.110121 5.43342e-17 476 63.546 0.00167986 -3.54077 63.546000 Cu 0.939749 0.0925428 0.5 477 63.546 0.00919111 -3.54348 63.546000 Cu 0.879507 0.112652 0.5 478 63.546 0.00235023 -3.54089 63.546000 Cu 0.0287779 0.125307 2.40417e-19 509 63.546 0.000697288 -3.53921 63.546000 Cu 0.108758 0.14037 1.22853e-16 510 63.546 0.000455538 -3.53968 63.546000 Cu 0.0986945 0.122929 0.5 511 63.546 0.0011778 -3.53948 63.546000 Cu 0.0387693 0.142818 0.5 512 63.546 0.00034882 -3.53906 63.546000 Cu 0.168832 0.120487 2.40417e-19 513 63.546 0.000885169 -3.53972 63.546000 Cu 0.178949 0.137875 0.5 516 63.546 0.000186285 -3.54079 63.546000 Cu 0.249258 0.135315 8.29438e-18 514 63.546 0.000333695 -3.54124 63.546000 Cu 0.23915 0.117939 0.5 515 63.546 0.000365069 -3.53998 63.546000 Cu 0.319397 0.132739 0.5 520 63.546 0.000743077 -3.5408 63.546000 Cu 0.259212 0.152741 0.5 544 63.546 0.000264555 -3.54063 63.546000 Cu 0.329279 0.150222 0 546 63.546 0.00026726 -3.53999 63.546000 Cu 0.389324 0.130193 5.22907e-17 518 63.546 0.000503297 -3.54042 63.546000 Cu 0.45907 0.127711 0.5 523 63.546 0.000247832 -3.53958 63.546000 Cu 0.399136 0.147727 0.5 548 63.546 0.000106068 -3.53957 63.546000 Cu 0.468941 0.145258 4.80834e-19 550 63.546 0.000151561 -3.5392 63.546000 Cu 0.528778 0.125307 4.80834e-19 466 63.546 0.000697288 -3.53921 63.546000 Cu 0.598694 0.122929 0.5 470 63.546 0.0011778 -3.53948 63.546000 Cu 0.538769 0.142818 0.5 496 63.546 0.00034882 -3.53906 63.546000 Cu 0.608758 0.14037 1.88727e-17 497 63.546 0.000455538 -3.53968 63.546000 Cu 0.668832 0.120487 6.01042e-19 468 63.546 0.000885169 -3.53972 63.546000 Cu 0.678949 0.137875 0.5 499 63.546 0.000186285 -3.54079 63.546000 Cu 0.73915 0.117939 0.5 474 63.546 0.000365069 -3.53998 63.546000 Cu 0.749258 0.135315 1.22613e-16 501 63.546 0.000333695 -3.54124 63.546000 Cu 0.829279 0.150222 1.22613e-16 502 63.546 0.00026726 -3.53999 63.546000 Cu 0.819397 0.132739 0.5 503 63.546 0.000743077 -3.5408 63.546000 Cu 0.759212 0.152741 0.5 504 63.546 0.000264555 -3.54063 63.546000 Cu 0.889324 0.130193 4.039e-17 505 63.546 0.000503297 -3.54042 63.546000 Cu 0.968941 0.145258 4.80834e-19 506 63.546 0.000151561 -3.5392 63.546000 Cu 0.95907 0.127711 0.5 507 63.546 0.000247832 -3.53958 63.546000 Cu 0.899136 0.147727 0.5 508 63.546 0.000106068 -3.53957 63.546000 Cu 0.0488504 0.160296 7.21251e-19 538 63.546 0.000137139 -3.53957 63.546000 Cu 0.128948 0.175248 4.66409e-17 539 63.546 3.30415e-05 -3.54017 63.546000 Cu 0.118849 0.157805 0.5 540 63.546 0.000168679 -3.54008 63.546000 Cu 0.0589172 0.17776 0.5 541 63.546 0.000102463 -3.53978 63.546000 Cu 0.189015 0.155275 7.21251e-19 542 63.546 8.38023e-05 -3.54076 63.546000 Cu 0.269078 0.170195 1.22492e-16 543 63.546 9.23033e-05 -3.54026 63.546000 Cu 0.199036 0.172713 0.5 545 63.546 9.43053e-05 -3.54067 63.546000 Cu 0.208986 0.190177 4.17123e-17 570 63.546 2.54276e-05 -3.53998 63.546000 Cu 0.278998 0.187667 0.5 572 63.546 2.69339e-05 -3.54007 63.546000 Cu 0.339081 0.167703 0.5 549 63.546 3.61254e-05 -3.53978 63.546000 Cu 0.348976 0.185178 3.82263e-17 574 63.546 1.73966e-05 -3.53993 63.546000 Cu 0.409043 0.165226 6.01042e-18 547 63.546 4.58745e-05 -3.53948 63.546000 Cu 0.478942 0.16276 0.5 551 63.546 5.88047e-05 -3.5395 63.546000 Cu 0.418952 0.182704 0.5 576 63.546 8.64994e-06 -3.53963 63.546000 Cu 0.488901 0.180241 4.66409e-17 578 63.546 7.55389e-05 -3.53964 63.546000 Cu 0.54885 0.160296 8.41459e-19 495 63.546 0.000137139 -3.53957 63.546000 Cu 0.618849 0.157805 0.5 500 63.546 0.000168679 -3.54008 63.546000 Cu 0.558917 0.17776 0.5 525 63.546 0.000102463 -3.53978 63.546000 Cu 0.628948 0.175248 3.20957e-17 526 63.546 3.30415e-05 -3.54017 63.546000 Cu 0.689015 0.155275 4.80834e-19 498 63.546 8.38023e-05 -3.54076 63.546000 Cu 0.708986 0.190177 4.66409e-17 527 63.546 2.54276e-05 -3.53998 63.546000 Cu 0.699036 0.172713 0.5 528 63.546 9.43053e-05 -3.54067 63.546000 Cu 0.769078 0.170195 1.22733e-16 530 63.546 9.23033e-05 -3.54026 63.546000 Cu 0.778998 0.187667 0.5 533 63.546 2.69339e-05 -3.54007 63.546000 Cu 0.848976 0.185178 7.65728e-17 531 63.546 1.73966e-05 -3.53993 63.546000 Cu 0.839081 0.167703 0.5 532 63.546 3.61254e-05 -3.53978 63.546000 Cu 0.909043 0.165226 1.22853e-16 534 63.546 4.58745e-05 -3.53948 63.546000 Cu 0.988901 0.180241 3.60625e-19 535 63.546 7.55389e-05 -3.53964 63.546000 Cu 0.978942 0.16276 0.5 536 63.546 5.88047e-05 -3.5395 63.546000 Cu 0.918952 0.182704 0.5 537 63.546 8.64994e-06 -3.53963 63.546000 Cu 0.0689228 0.195203 3.60625e-19 566 63.546 2.10342e-05 -3.53984 63.546000 Cu 0.148985 0.210146 0 567 63.546 2.75674e-05 -3.53992 63.546000 Cu 0.138984 0.192691 0.5 568 63.546 1.85018e-05 -3.53973 63.546000 Cu 0.0789901 0.212653 0.5 569 63.546 1.12897e-05 -3.54023 63.546000 Cu 0.0890865 0.230109 5.97436e-17 596 63.546 2.53346e-06 -3.54013 63.546000 Cu 0.159097 0.227605 0.5 598 63.546 8.14148e-06 -3.54026 63.546000 Cu 0.00895065 0.215147 2.44744e-16 563 63.546 1.67753e-05 -3.54011 63.546000 Cu 0.288966 0.205138 4.23134e-17 571 63.546 3.46097e-05 -3.53986 63.546000 Cu 0.218988 0.207634 0.5 573 63.546 4.5008e-05 -3.53984 63.546000 Cu 0.229096 0.225104 0 600 63.546 2.11366e-05 -3.54025 63.546000 Cu 0.299028 0.222611 0.5 602 63.546 1.24204e-05 -3.54012 63.546000 Cu 0.428893 0.200176 7.21251e-19 575 63.546 4.91641e-05 -3.53956 63.546000 Cu 0.358941 0.20265 0.5 577 63.546 2.28091e-05 -3.53994 63.546000 Cu 0.498881 0.197697 0.5 579 63.546 6.41113e-05 -3.53962 63.546000 Cu 0.368971 0.220126 1.15641e-16 604 63.546 3.0418e-05 -3.54014 63.546000 Cu 0.43895 0.217638 0.5 606 63.546 2.30146e-05 -3.53985 63.546000 Cu 0.508951 0.215147 2.18779e-16 608 63.546 1.67753e-05 -3.54011 63.546000 Cu 0.568923 0.195203 4.66409e-17 524 63.546 2.10342e-05 -3.53984 63.546000 Cu 0.638984 0.192691 0.5 529 63.546 1.85018e-05 -3.53973 63.546000 Cu 0.589086 0.230109 3.73848e-17 552 63.546 2.53346e-06 -3.54013 63.546000 Cu 0.57899 0.212653 0.5 553 63.546 1.12897e-05 -3.54023 63.546000 Cu 0.648985 0.210146 2.40417e-19 554 63.546 2.75674e-05 -3.53992 63.546000 Cu 0.659097 0.227605 0.5 557 63.546 8.14148e-06 -3.54026 63.546000 Cu 0.729096 0.225104 1.20208e-19 555 63.546 2.11366e-05 -3.54025 63.546000 Cu 0.718988 0.207634 0.5 556 63.546 4.5008e-05 -3.53984 63.546000 Cu 0.788966 0.205138 0 558 63.546 3.46097e-05 -3.53986 63.546000 Cu 0.799028 0.222611 0.5 561 63.546 1.24204e-05 -3.54012 63.546000 Cu 0.868971 0.220126 0 559 63.546 3.0418e-05 -3.54014 63.546000 Cu 0.858941 0.20265 0.5 560 63.546 2.28091e-05 -3.53994 63.546000 Cu 0.928893 0.200176 0 562 63.546 4.91641e-05 -3.53956 63.546000 Cu 0.998881 0.197697 0.5 564 63.546 6.41113e-05 -3.53962 63.546000 Cu 0.93895 0.217638 0.5 565 63.546 2.30146e-05 -3.53985 63.546000 Cu 0.0291722 0.250065 0 593 63.546 6.73534e-06 -3.5398 63.546000 Cu 0.0991679 0.247564 0.5 599 63.546 1.22145e-05 -3.53997 63.546000 Cu 0.0392602 0.26753 0.5 624 63.546 2.23617e-05 -3.54007 63.546000 Cu 0.109216 0.265028 0 626 63.546 1.05002e-05 -3.54019 63.546000 Cu 0.0190548 0.232608 0.5 594 63.546 8.05667e-06 -3.54017 63.546000 Cu 0.169216 0.245066 1.22492e-16 597 63.546 5.63478e-05 -3.54018 63.546000 Cu 0.179205 0.26253 0.5 628 63.546 1.0633e-05 -3.54016 63.546000 Cu 0.309145 0.240092 1.22372e-16 601 63.546 2.40804e-05 -3.5399 63.546000 Cu 0.23919 0.242579 0.5 603 63.546 3.05986e-05 -3.53981 63.546000 Cu 0.24922 0.26004 2.40417e-19 630 63.546 5.71963e-06 -3.5396 63.546000 Cu 0.319216 0.257554 0.5 632 63.546 1.7788e-05 -3.53984 63.546000 Cu 0.449065 0.2351 4.09911e-17 605 63.546 5.73356e-06 -3.53991 63.546000 Cu 0.379097 0.237599 0.5 607 63.546 7.56118e-06 -3.53993 63.546000 Cu 0.38923 0.255061 0 634 63.546 4.23745e-05 -3.53987 63.546000 Cu 0.459176 0.252567 0.5 636 63.546 6.609e-06 -3.53979 63.546000 Cu 0.519055 0.232608 0.5 609 63.546 8.05667e-06 -3.54017 63.546000 Cu 0.529172 0.250065 5.10886e-17 580 63.546 6.73534e-06 -3.5398 63.546000 Cu 0.609216 0.265028 0 581 63.546 1.05002e-05 -3.54019 63.546000 Cu 0.599168 0.247564 0.5 582 63.546 1.22145e-05 -3.53997 63.546000 Cu 0.53926 0.26753 0.5 583 63.546 2.23617e-05 -3.54007 63.546000 Cu 0.669216 0.245066 4.66409e-17 584 63.546 5.63478e-05 -3.54018 63.546000 Cu 0.679205 0.26253 0.5 587 63.546 1.0633e-05 -3.54016 63.546000 Cu 0.74922 0.26004 0 585 63.546 5.71963e-06 -3.5396 63.546000 Cu 0.73919 0.242579 0.5 586 63.546 3.05986e-05 -3.53981 63.546000 Cu 0.809145 0.240092 2.40417e-19 588 63.546 2.40804e-05 -3.5399 63.546000 Cu 0.819216 0.257554 0.5 591 63.546 1.7788e-05 -3.53984 63.546000 Cu 0.88923 0.255061 0 589 63.546 4.23745e-05 -3.53987 63.546000 Cu 0.879097 0.237599 0.5 590 63.546 7.56118e-06 -3.53993 63.546000 Cu 0.949065 0.2351 0 592 63.546 5.73356e-06 -3.53991 63.546000 Cu 0.959176 0.252567 0.5 595 63.546 6.609e-06 -3.53979 63.546000 Cu 0.0492728 0.285006 4.66409e-17 623 63.546 3.36505e-05 -3.54003 63.546000 Cu 0.119253 0.282502 0.5 629 63.546 1.09599e-05 -3.54011 63.546000 Cu 0.0592354 0.302465 0.5 652 63.546 1.82597e-05 -3.53978 63.546000 Cu 0.129249 0.299965 1.22252e-16 654 63.546 1.47807e-05 -3.54003 63.546000 Cu 0.189236 0.279997 6.2268e-17 627 63.546 5.65732e-06 -3.5399 63.546000 Cu 0.329222 0.275014 1.02297e-16 631 63.546 3.95611e-06 -3.54013 63.546000 Cu 0.259212 0.277501 0.5 633 63.546 8.10405e-06 -3.53966 63.546000 Cu 0.199251 0.297461 0.5 656 63.546 2.99444e-05 -3.53992 63.546000 Cu 0.2692 0.294966 1.44491e-16 658 63.546 1.10865e-05 -3.53972 63.546000 Cu 0.339183 0.292478 0.5 660 63.546 8.13018e-06 -3.53998 63.546000 Cu 0.469279 0.270031 0 635 63.546 4.4949e-05 -3.54013 63.546000 Cu 0.399258 0.272528 0.5 637 63.546 2.77773e-05 -3.54021 63.546000 Cu 0.409216 0.289988 1.22372e-16 662 63.546 2.3093e-06 -3.54028 63.546000 Cu 0.4892 0.304957 4.66409e-17 663 63.546 6.82401e-06 -3.53996 63.546000 Cu 0.47926 0.287499 0.5 664 63.546 1.8531e-05 -3.54028 63.546000 Cu 0.41914 0.30745 0.5 665 63.546 8.85891e-06 -3.54011 63.546000 Cu 0.549273 0.285006 1.60478e-16 610 63.546 3.36505e-05 -3.54003 63.546000 Cu 0.629249 0.299965 2.40417e-18 611 63.546 1.47807e-05 -3.54003 63.546000 Cu 0.619253 0.282502 0.5 612 63.546 1.09599e-05 -3.54011 63.546000 Cu 0.559235 0.302465 0.5 613 63.546 1.82597e-05 -3.53978 63.546000 Cu 0.689236 0.279997 1.20208e-19 614 63.546 5.65732e-06 -3.5399 63.546000 Cu 0.7692 0.294966 4.66409e-17 615 63.546 1.10865e-05 -3.53972 63.546000 Cu 0.759212 0.277501 0.5 616 63.546 8.10405e-06 -3.53966 63.546000 Cu 0.699251 0.297461 0.5 617 63.546 2.99444e-05 -3.53992 63.546000 Cu 0.829222 0.275014 0 618 63.546 3.95611e-06 -3.54013 63.546000 Cu 0.839183 0.292478 0.5 621 63.546 8.13018e-06 -3.53998 63.546000 Cu 0.909216 0.289988 3.60625e-19 619 63.546 2.3093e-06 -3.54028 63.546000 Cu 0.899258 0.272528 0.5 620 63.546 2.77773e-05 -3.54021 63.546000 Cu 0.969279 0.270031 1.23815e-17 622 63.546 4.4949e-05 -3.54013 63.546000 Cu 0.97926 0.287499 0.5 625 63.546 1.8531e-05 -3.54028 63.546000 Cu 0.91914 0.30745 0.5 648 63.546 8.85891e-06 -3.54011 63.546000 Cu 0.9892 0.304957 5.95032e-17 650 63.546 6.82401e-06 -3.53996 63.546000 Cu 0.0691608 0.319915 3.60625e-19 651 63.546 1.12206e-05 -3.53969 63.546000 Cu 0.139206 0.317426 0.5 657 63.546 4.74226e-05 -3.53972 63.546000 Cu 0.0790289 0.337363 0.5 681 63.546 4.2732e-05 -3.53976 63.546000 Cu 0.14906 0.334878 8.41459e-19 683 63.546 4.15422e-05 -3.53967 63.546000 Cu 0.00900593 0.339862 6.92401e-17 679 63.546 1.26469e-05 -3.53974 63.546000 Cu 0.209197 0.314936 1.00614e-16 655 63.546 2.92255e-05 -3.53994 63.546000 Cu 0.279165 0.312442 0.5 661 63.546 5.40246e-06 -3.53987 63.546000 Cu 0.219091 0.332405 0.5 685 63.546 4.2642e-05 -3.53982 63.546000 Cu 0.289089 0.329918 4.66409e-17 687 63.546 4.34701e-05 -3.53999 63.546000 Cu 0.349129 0.309946 5.08482e-17 659 63.546 1.03391e-05 -3.53989 63.546000 Cu 0.368983 0.344885 4.66409e-17 688 63.546 5.23489e-05 -3.54031 63.546000 Cu 0.359065 0.327415 0.5 689 63.546 1.07468e-05 -3.54025 63.546000 Cu 0.429084 0.324908 5.81809e-17 691 63.546 1.20072e-05 -3.54013 63.546000 Cu 0.499102 0.32241 0.5 693 63.546 7.40265e-06 -3.5398 63.546000 Cu 0.438998 0.342372 0.5 694 63.546 5.75503e-06 -3.53981 63.546000 Cu 0.509006 0.339862 9.70082e-17 692 63.546 1.26469e-05 -3.53974 63.546000 Cu 0.569161 0.319915 0 638 63.546 1.12206e-05 -3.53969 63.546000 Cu 0.64906 0.334878 1.05783e-17 639 63.546 4.15422e-05 -3.53967 63.546000 Cu 0.639206 0.317426 0.5 640 63.546 4.74226e-05 -3.53972 63.546000 Cu 0.579029 0.337363 0.5 641 63.546 4.2732e-05 -3.53976 63.546000 Cu 0.709197 0.314936 3.60625e-19 642 63.546 2.92255e-05 -3.53994 63.546000 Cu 0.789089 0.329918 1.19728e-16 643 63.546 4.34701e-05 -3.53999 63.546000 Cu 0.779165 0.312442 0.5 644 63.546 5.40246e-06 -3.53987 63.546000 Cu 0.719091 0.332405 0.5 645 63.546 4.2642e-05 -3.53982 63.546000 Cu 0.849129 0.309946 3.89475e-17 646 63.546 1.03391e-05 -3.53989 63.546000 Cu 0.929084 0.324908 2.04354e-18 647 63.546 1.20072e-05 -3.54013 63.546000 Cu 0.859065 0.327415 0.5 649 63.546 1.07468e-05 -3.54025 63.546000 Cu 0.999102 0.32241 0.5 653 63.546 7.40265e-06 -3.5398 63.546000 Cu 0.868983 0.344885 4.66409e-17 675 63.546 5.23489e-05 -3.54031 63.546000 Cu 0.938998 0.342372 0.5 677 63.546 5.75503e-06 -3.53981 63.546000 Cu 0.0888907 0.354832 3.60625e-19 680 63.546 9.64569e-05 -3.53972 63.546000 Cu 0.158852 0.352357 0.5 686 63.546 2.88231e-05 -3.54016 63.546000 Cu 0.0288478 0.3748 4.66409e-17 709 63.546 0.000251674 -3.53908 63.546000 Cu 0.0986772 0.372329 0.5 711 63.546 8.66211e-05 -3.53943 63.546000 Cu 0.0189137 0.357321 0.5 682 63.546 7.40262e-05 -3.53957 63.546000 Cu 0.168564 0.36985 4.66409e-17 713 63.546 0.000113856 -3.5405 63.546000 Cu 0.228873 0.349877 3.60625e-19 684 63.546 2.47617e-05 -3.54039 63.546000 Cu 0.298922 0.347391 0.5 690 63.546 6.69284e-05 -3.54031 63.546000 Cu 0.238606 0.367356 0.5 715 63.546 0.000168065 -3.54097 63.546000 Cu 0.308717 0.364845 4.66409e-17 717 63.546 0.00012822 -3.54058 63.546000 Cu 0.318627 0.382267 0.5 720 63.546 0.00013012 -3.54058 63.546000 Cu 0.388829 0.379755 1.75504e-17 718 63.546 0.000141562 -3.53984 63.546000 Cu 0.378866 0.362331 0.5 719 63.546 4.81838e-05 -3.53988 63.546000 Cu 0.448927 0.359822 0 721 63.546 3.85551e-05 -3.53935 63.546000 Cu 0.458911 0.377269 0.5 723 63.546 0.000262201 -3.53929 63.546000 Cu 0.518914 0.357321 0.5 722 63.546 7.40262e-05 -3.53957 63.546000 Cu 0.528848 0.3748 4.66409e-17 666 63.546 0.000251674 -3.53908 63.546000 Cu 0.588891 0.354832 4.66409e-17 667 63.546 9.64569e-05 -3.53972 63.546000 Cu 0.658852 0.352357 0.5 669 63.546 2.88231e-05 -3.54016 63.546000 Cu 0.598677 0.372329 0.5 670 63.546 8.66211e-05 -3.53943 63.546000 Cu 0.668564 0.36985 7.04422e-17 668 63.546 0.000113856 -3.5405 63.546000 Cu 0.728873 0.349877 6.25084e-17 671 63.546 2.47617e-05 -3.54039 63.546000 Cu 0.808717 0.364845 2.40417e-19 672 63.546 0.00012822 -3.54058 63.546000 Cu 0.798922 0.347391 0.5 673 63.546 6.69284e-05 -3.54031 63.546000 Cu 0.738606 0.367356 0.5 674 63.546 0.000168065 -3.54097 63.546000 Cu 0.818627 0.382267 0.5 703 63.546 0.00013012 -3.54058 63.546000 Cu 0.948927 0.359822 3.32977e-17 676 63.546 3.85551e-05 -3.53935 63.546000 Cu 0.878866 0.362331 0.5 678 63.546 4.81838e-05 -3.53988 63.546000 Cu 0.888829 0.379755 2.40417e-19 705 63.546 0.000141562 -3.53984 63.546000 Cu 0.958911 0.377269 0.5 707 63.546 0.000262201 -3.53929 63.546000 Cu 0.108382 0.389863 0 710 63.546 0.000260496 -3.53928 63.546000 Cu 0.0386533 0.392318 0.5 712 63.546 0.000222215 -3.53904 63.546000 Cu 0.048353 0.409904 0 738 63.546 0.000643891 -3.54056 63.546000 Cu 0.118071 0.407405 0.5 740 63.546 0.00182598 -3.54029 63.546000 Cu 0.178257 0.387353 0.5 716 63.546 0.000682227 -3.54069 63.546000 Cu 0.188039 0.404814 1 742 63.546 0.00189274 -3.54015 63.546000 Cu 0.248368 0.38481 4.66409e-17 714 63.546 0.000514548 -3.54123 63.546000 Cu 0.268534 0.419522 1.20208e-19 743 63.546 0.0021453 -3.53668 63.546000 Cu 0.258329 0.402199 0.5 744 63.546 0.000445142 -3.53997 63.546000 Cu 0.198307 0.422198 0.5 745 63.546 0.00182851 -3.53884 63.546000 Cu 0.32867 0.399644 1 746 63.546 0.000408521 -3.53962 63.546000 Cu 0.338743 0.417 0.5 749 63.546 0.00252696 -3.53674 63.546000 Cu 0.408796 0.414616 4.66409e-17 747 63.546 0.00208842 -3.53783 63.546000 Cu 0.398886 0.397175 0.5 748 63.546 0.000831534 -3.53944 63.546000 Cu 0.468859 0.394746 4.66409e-17 750 63.546 0.000710084 -3.53938 63.546000 Cu 0.478651 0.412288 0.5 751 63.546 0.000978871 -3.54001 63.546000 Cu 0.548353 0.409904 4.66409e-17 695 63.546 0.000643891 -3.54056 63.546000 Cu 0.538653 0.392318 0.5 696 63.546 0.000222215 -3.53904 63.546000 Cu 0.608382 0.389863 2.40417e-19 697 63.546 0.000260496 -3.53928 63.546000 Cu 0.618071 0.407405 0.5 700 63.546 0.00182598 -3.54029 63.546000 Cu 0.688039 0.404814 2.40417e-19 698 63.546 0.00189274 -3.54015 63.546000 Cu 0.678257 0.387353 0.5 699 63.546 0.000682227 -3.54069 63.546000 Cu 0.748368 0.38481 4.66409e-17 701 63.546 0.000514548 -3.54123 63.546000 Cu 0.82867 0.399644 4.44771e-18 702 63.546 0.000408521 -3.53962 63.546000 Cu 0.758329 0.402199 0.5 704 63.546 0.000445142 -3.53997 63.546000 Cu 0.698307 0.422198 0.5 728 63.546 0.00182851 -3.53884 63.546000 Cu 0.768534 0.419522 4.66409e-17 730 63.546 0.0021453 -3.53668 63.546000 Cu 0.838743 0.417 0.5 732 63.546 0.00252696 -3.53674 63.546000 Cu 0.968859 0.394746 1.20208e-19 706 63.546 0.000710084 -3.53938 63.546000 Cu 0.898886 0.397175 0.5 708 63.546 0.000831534 -3.53944 63.546000 Cu 0.908796 0.414616 1.2093e-16 734 63.546 0.00208842 -3.53783 63.546000 Cu 0.978651 0.412288 0.5 736 63.546 0.000978871 -3.54001 63.546000 Cu 0.128105 0.424926 2.40417e-19 739 63.546 0.00538331 -3.54206 63.546000 Cu 0.0579963 0.427516 0.5 741 63.546 0.00676772 -3.54341 63.546000 Cu 0.0675852 0.44497 4.66409e-17 766 63.546 0.0192499 -3.54411 63.546000 Cu 0.150392 0.459374 4.66409e-17 767 63.546 0.0272772 -3.53809 63.546000 Cu 0.138902 0.442296 0.5 768 63.546 0.0108552 -3.54339 63.546000 Cu 0.209445 0.439536 2.40417e-19 770 63.546 0.0041349 -3.53575 63.546000 Cu 0.290542 0.454482 4.33953e-17 771 63.546 0.0398055 -3.52536 63.546000 Cu 0.279178 0.436884 0.5 772 63.546 0.010835 -3.53122 63.546000 Cu 0.221589 0.45696 0.5 773 63.546 0.0360755 -3.53861 63.546000 Cu 0.348696 0.434419 3.60625e-19 774 63.546 0.0111535 -3.53054 63.546000 Cu 0.426878 0.449822 5.91426e-17 775 63.546 0.0185908 -3.53442 63.546000 Cu 0.418191 0.432128 0.5 776 63.546 0.00349139 -3.53541 63.546000 Cu 0.35841 0.452145 0.5 777 63.546 0.0367635 -3.52353 63.546000 Cu 0.488 0.429884 4.66409e-17 778 63.546 0.00210732 -3.54081 63.546000 Cu 0.496528 0.447477 0.5 779 63.546 0.0155635 -3.54109 63.546000 Cu 0.567585 0.44497 7.48899e-17 724 63.546 0.0192499 -3.54411 63.546000 Cu 0.557996 0.427516 0.5 725 63.546 0.00676772 -3.54341 63.546000 Cu 0.628105 0.424926 4.66409e-17 726 63.546 0.00538331 -3.54206 63.546000 Cu 0.638902 0.442296 0.5 729 63.546 0.0108552 -3.54339 63.546000 Cu 0.650392 0.459374 5.3613e-17 754 63.546 0.0272772 -3.53809 63.546000 Cu 0.709445 0.439536 2.40417e-19 727 63.546 0.0041349 -3.53575 63.546000 Cu 0.779178 0.436884 0.5 733 63.546 0.010835 -3.53122 63.546000 Cu 0.721589 0.45696 0.5 756 63.546 0.0360755 -3.53861 63.546000 Cu 0.790542 0.454482 1.22252e-16 758 63.546 0.0398055 -3.52536 63.546000 Cu 0.848696 0.434419 0 731 63.546 0.0111535 -3.53054 63.546000 Cu 0.988 0.429884 0 735 63.546 0.00210732 -3.54081 63.546000 Cu 0.918191 0.432128 0.5 737 63.546 0.00349139 -3.53541 63.546000 Cu 0.85841 0.452145 0.5 760 63.546 0.0367635 -3.52353 63.546000 Cu 0.926878 0.449822 0 762 63.546 0.0185908 -3.53442 63.546000 Cu 0.996528 0.447477 0.5 764 63.546 0.0155635 -3.54109 63.546000 Cu 0.0770282 0.462043 0.5 769 63.546 0.0249013 -3.53708 63.546000 Cu 0.0874464 0.478565 3.95486e-17 789 63.546 0.0631598 -3.51752 63.546000 Cu 0.161091 0.476288 0.5 791 63.546 0.0640423 -3.53895 63.546000 Cu 0.0949524 0.49498 0.5 792 63.546 4.691 -3.45973 63.546000 Cu 0.0046684 0.464941 2.40417e-19 763 63.546 0.0797958 -3.54054 63.546000 Cu 0.0125538 0.482101 0.5 788 63.546 1.09388 -3.45375 63.546000 Cu 0.0233712 0.498688 1.58675e-17 787 63.546 9.4408 -3.33363 63.546000 Cu 0.172487 0.492732 4.66409e-17 790 63.546 0.379387 -3.50119 63.546000 Cu 0.234062 0.474361 4.66409e-17 793 63.546 0.146379 -3.52087 63.546000 Cu 0.313384 0.491539 4.66409e-17 794 63.546 0.193506 -3.52028 63.546000 Cu 0.302887 0.472879 0.5 795 63.546 0.107202 -3.52657 63.546000 Cu 0.243487 0.492184 0.5 796 63.546 0.163304 -3.52602 63.546000 Cu 0.381385 0.490661 0.5 9 63.546 0.540075 -3.46958 63.546000 Cu 0.434697 0.467903 0.5 11 63.546 0.159335 -3.5061 63.546000 Cu 0.443467 0.486559 4.66409e-17 394 63.546 1.23219 -3.40979 63.546000 Cu 0.368393 0.470583 1 400 63.546 0.0858892 -3.50479 63.546000 Cu 0.512554 0.482101 0.5 1 63.546 1.09388 -3.45375 63.546000 Cu 0.504668 0.464941 2.40417e-19 3 63.546 0.0797958 -3.54054 63.546000 Cu 0.587446 0.478565 4.66409e-17 752 63.546 0.0631598 -3.51752 63.546000 Cu 0.577028 0.462043 0.5 753 63.546 0.0249013 -3.53708 63.546000 Cu 0.661091 0.476288 0.5 757 63.546 0.0640423 -3.53895 63.546000 Cu 0.594952 0.49498 0.5 781 63.546 4.691 -3.45973 63.546000 Cu 0.523371 0.498688 4.59196e-17 780 63.546 9.4408 -3.33363 63.546000 Cu 0.672487 0.492732 6.68359e-17 782 63.546 0.379387 -3.50119 63.546000 Cu 0.734062 0.474361 4.66409e-17 755 63.546 0.146379 -3.52087 63.546000 Cu 0.802887 0.472879 0.5 761 63.546 0.107202 -3.52657 63.546000 Cu 0.743487 0.492184 0.5 783 63.546 0.163304 -3.52602 63.546000 Cu 0.813384 0.491539 2.40417e-19 784 63.546 0.193506 -3.52028 63.546000 Cu 0.868393 0.470583 4.66409e-17 759 63.546 0.0858892 -3.50479 63.546000 Cu 0.934697 0.467903 0.5 765 63.546 0.159335 -3.5061 63.546000 Cu 0.881385 0.490661 0.5 785 63.546 0.540075 -3.46958 63.546000 Cu 0.943467 0.486559 1.60118e-16 786 63.546 1.23219 -3.40979 63.546000 Cu 0.108315 0.510078 1.21531e-16 2 63.546 6.42062 -3.21717 63.546000 Cu 0.0258232 0.521831 1.22132e-16 24 63.546 9.02445 -3.31299 63.546000 Cu 0.0968667 0.525354 0.5 26 63.546 4.39057 -3.45948 63.546000 Cu 0.0141285 0.538173 0.5 27 63.546 0.862113 -3.45549 63.546000 Cu 0.247398 0.510012 4.66409e-17 4 63.546 0.171963 -3.53375 63.546000 Cu 0.176974 0.510037 0.5 5 63.546 0.494262 -3.50102 63.546000 Cu 0.173455 0.527361 0 28 63.546 0.337806 -3.50732 63.546000 Cu 0.244386 0.527814 0.5 30 63.546 0.161583 -3.52857 63.546000 Cu 0.319151 0.509949 0.5 7 63.546 0.406311 -3.52499 63.546000 Cu 0.31443 0.528333 0 32 63.546 0.228642 -3.52061 63.546000 Cu 0.393613 0.509816 5.26513e-17 6 63.546 2.42259 -3.52179 63.546000 Cu 0.465054 0.510846 0.5 8 63.546 8.64284 -3.55119 63.546000 Cu 0.382135 0.529194 0.5 34 63.546 0.474194 -3.47283 63.546000 Cu 0.444385 0.533225 0 36 63.546 0.925411 -3.43041 63.546000 Cu 0.525823 0.521831 4.66409e-17 10 63.546 9.02445 -3.31299 63.546000 Cu 0.608315 0.510078 1.83198e-16 12 63.546 6.42062 -3.21717 63.546000 Cu 0.596867 0.525354 0.5 15 63.546 4.39057 -3.45948 63.546000 Cu 0.514129 0.538173 0.5 39 63.546 0.862113 -3.45549 63.546000 Cu 0.673455 0.527361 4.66409e-17 13 63.546 0.337806 -3.50732 63.546000 Cu 0.676974 0.510037 0.5 14 63.546 0.494262 -3.50102 63.546000 Cu 0.747398 0.510012 0 16 63.546 0.171963 -3.53375 63.546000 Cu 0.744386 0.527814 0.5 19 63.546 0.161583 -3.52857 63.546000 Cu 0.81443 0.528333 0 17 63.546 0.228642 -3.52061 63.546000 Cu 0.819151 0.509949 0.5 18 63.546 0.406311 -3.52499 63.546000 Cu 0.893613 0.509816 7.9578e-17 20 63.546 2.42259 -3.52179 63.546000 Cu 0.944385 0.533225 4.66409e-17 21 63.546 0.925411 -3.43041 63.546000 Cu 0.965054 0.510846 0.5 22 63.546 8.64284 -3.55119 63.546000 Cu 0.882135 0.529194 0.5 23 63.546 0.474194 -3.47283 63.546000 Cu 0.0895319 0.541777 4.66409e-17 25 63.546 0.080939 -3.51429 63.546000 Cu 0.00626366 0.555184 8.16215e-17 52 63.546 0.104057 -3.53854 63.546000 Cu 0.0697829 0.575172 4.66409e-17 53 63.546 0.0213284 -3.54381 63.546000 Cu 0.0791798 0.558194 0.5 54 63.546 0.024596 -3.53571 63.546000 Cu 0.163147 0.543911 0.5 31 63.546 0.0720076 -3.53916 63.546000 Cu 0.152788 0.560844 1.48698e-16 56 63.546 0.0353679 -3.53724 63.546000 Cu 0.235825 0.545693 7.20049e-17 29 63.546 0.153425 -3.52421 63.546000 Cu 0.304406 0.547099 0.5 35 63.546 0.108091 -3.52724 63.546000 Cu 0.223864 0.563187 0.5 58 63.546 0.0420309 -3.53827 63.546000 Cu 0.292643 0.565593 6.5754e-17 60 63.546 0.0419138 -3.5259 63.546000 Cu 0.369839 0.549348 3.32977e-17 33 63.546 0.0825356 -3.50189 63.546000 Cu 0.435989 0.552036 0.5 37 63.546 0.185515 -3.50977 63.546000 Cu 0.360347 0.56789 0.5 62 63.546 0.0377317 -3.52253 63.546000 Cu 0.428696 0.570197 6.17871e-17 64 63.546 0.0224844 -3.5335 63.546000 Cu 0.498416 0.572603 0.5 67 63.546 0.0228338 -3.5409 63.546000 Cu 0.506264 0.555184 1.06745e-16 38 63.546 0.104057 -3.53854 63.546000 Cu 0.589532 0.541777 5.19301e-17 40 63.546 0.080939 -3.51429 63.546000 Cu 0.57918 0.558194 0.5 43 63.546 0.024596 -3.53571 63.546000 Cu 0.569783 0.575172 0 68 63.546 0.0213284 -3.54381 63.546000 Cu 0.652788 0.560844 4.66409e-17 41 63.546 0.0353679 -3.53724 63.546000 Cu 0.663147 0.543911 0.5 42 63.546 0.0720076 -3.53916 63.546000 Cu 0.735825 0.545693 4.66409e-17 44 63.546 0.153425 -3.52421 63.546000 Cu 0.792643 0.565593 6.8639e-17 45 63.546 0.0419138 -3.5259 63.546000 Cu 0.804406 0.547099 0.5 46 63.546 0.108091 -3.52724 63.546000 Cu 0.723864 0.563187 0.5 47 63.546 0.0420309 -3.53827 63.546000 Cu 0.998416 0.572603 0.5 55 63.546 0.0228338 -3.5409 63.546000 Cu 0.869839 0.549348 3.89475e-17 48 63.546 0.0825356 -3.50189 63.546000 Cu 0.928696 0.570197 6.5153e-17 49 63.546 0.0224844 -3.5335 63.546000 Cu 0.935989 0.552036 0.5 50 63.546 0.185515 -3.50977 63.546000 Cu 0.860347 0.56789 0.5 51 63.546 0.0377317 -3.52253 63.546000 Cu 0.141372 0.577884 0.5 59 63.546 0.0107764 -3.54301 63.546000 Cu 0.0508073 0.610154 0 81 63.546 0.00156243 -3.54069 63.546000 Cu 0.0603386 0.592567 0.5 82 63.546 0.00919569 -3.54337 63.546000 Cu 0.130654 0.595199 4.66409e-17 84 63.546 0.0052061 -3.54186 63.546000 Cu 0.120603 0.612677 0.5 87 63.546 0.00227616 -3.54094 63.546000 Cu 0.212024 0.580639 1.24656e-16 57 63.546 0.00620251 -3.5349 63.546000 Cu 0.281676 0.583255 0.5 63 63.546 0.0126819 -3.53035 63.546000 Cu 0.190639 0.615318 3.72646e-17 85 63.546 0.00137764 -3.54033 63.546000 Cu 0.200959 0.597953 0.5 86 63.546 0.00112194 -3.53818 63.546000 Cu 0.271182 0.600637 4.66409e-17 88 63.546 0.002612 -3.5358 63.546000 Cu 0.351027 0.585685 9.79699e-17 61 63.546 0.0124901 -3.52997 63.546000 Cu 0.420412 0.58794 0.5 65 63.546 0.00366775 -3.53511 63.546000 Cu 0.341288 0.603143 0.5 90 63.546 0.00366328 -3.53618 63.546000 Cu 0.411257 0.605493 2.66863e-17 92 63.546 0.0025076 -3.53791 63.546000 Cu 0.490209 0.590182 7.99386e-17 66 63.546 0.00346516 -3.54058 63.546000 Cu 0.481075 0.607784 0.5 95 63.546 0.00114467 -3.53981 63.546000 Cu 0.630654 0.595199 4.66409e-17 69 63.546 0.0052061 -3.54186 63.546000 Cu 0.641372 0.577884 0.5 70 63.546 0.0107764 -3.54301 63.546000 Cu 0.560339 0.592567 0.5 71 63.546 0.00919569 -3.54337 63.546000 Cu 0.550807 0.610154 0 96 63.546 0.00156243 -3.54069 63.546000 Cu 0.620603 0.612677 0.5 98 63.546 0.00227616 -3.54094 63.546000 Cu 0.712024 0.580639 4.66409e-17 72 63.546 0.00620251 -3.5349 63.546000 Cu 0.771182 0.600637 6.43115e-17 73 63.546 0.002612 -3.5358 63.546000 Cu 0.781676 0.583255 0.5 74 63.546 0.0126819 -3.53035 63.546000 Cu 0.700959 0.597953 0.5 75 63.546 0.00112194 -3.53818 63.546000 Cu 0.690639 0.615318 5.34928e-17 100 63.546 0.00137764 -3.54033 63.546000 Cu 0.990209 0.590182 0 80 63.546 0.00346516 -3.54058 63.546000 Cu 0.981075 0.607784 0.5 83 63.546 0.00114467 -3.53981 63.546000 Cu 0.851027 0.585685 2.40417e-19 76 63.546 0.0124901 -3.52997 63.546000 Cu 0.911257 0.605493 2.00748e-17 77 63.546 0.0025076 -3.53791 63.546000 Cu 0.920412 0.58794 0.5 78 63.546 0.00366775 -3.53511 63.546000 Cu 0.841288 0.603143 0.5 79 63.546 0.00366328 -3.53618 63.546000 Cu 0.0311895 0.645291 3.60625e-19 109 63.546 0.000195859 -3.53936 63.546000 Cu 0.0410846 0.627744 0.5 110 63.546 0.000280936 -3.53945 63.546000 Cu 0.11081 0.630222 3.60625e-19 112 63.546 0.000455219 -3.54021 63.546000 Cu 0.100981 0.647758 0.5 115 63.546 0.000112127 -3.53972 63.546000 Cu 0.260916 0.617958 0.5 91 63.546 0.000368744 -3.53994 63.546000 Cu 0.170824 0.65025 3.60625e-19 113 63.546 0.000255542 -3.53997 63.546000 Cu 0.180696 0.632763 0.5 114 63.546 0.000764664 -3.54063 63.546000 Cu 0.250812 0.635336 7.45292e-18 116 63.546 0.000391582 -3.54116 63.546000 Cu 0.240871 0.652762 0.5 119 63.546 0.000282615 -3.54063 63.546000 Cu 0.331244 0.620512 3.60625e-19 89 63.546 0.000785253 -3.53974 63.546000 Cu 0.321117 0.637892 0.5 118 63.546 0.000141036 -3.54085 63.546000 Cu 0.401427 0.622961 0.5 93 63.546 0.00129024 -3.53947 63.546000 Cu 0.471369 0.625343 0 94 63.546 0.000855573 -3.53907 63.546000 Cu 0.391342 0.640391 1.22733e-16 120 63.546 0.000424798 -3.53975 63.546000 Cu 0.461356 0.642846 0.5 122 63.546 0.000412162 -3.53909 63.546000 Cu 0.61081 0.630222 0 97 63.546 0.000455219 -3.54021 63.546000 Cu 0.541085 0.627744 0.5 99 63.546 0.000280936 -3.53945 63.546000 Cu 0.53119 0.645291 1.09269e-16 124 63.546 0.000195859 -3.53936 63.546000 Cu 0.600981 0.647758 0.5 126 63.546 0.000112127 -3.53972 63.546000 Cu 0.750812 0.635336 2.40417e-19 101 63.546 0.000391582 -3.54116 63.546000 Cu 0.760916 0.617958 0.5 102 63.546 0.000368744 -3.53994 63.546000 Cu 0.680696 0.632763 0.5 103 63.546 0.000764664 -3.54063 63.546000 Cu 0.670824 0.65025 3.82263e-17 128 63.546 0.000255542 -3.53997 63.546000 Cu 0.740871 0.652762 0.5 130 63.546 0.000282615 -3.54063 63.546000 Cu 0.831244 0.620512 3.60625e-19 104 63.546 0.000785253 -3.53974 63.546000 Cu 0.821117 0.637892 0.5 107 63.546 0.000141036 -3.54085 63.546000 Cu 0.891342 0.640391 1.52905e-16 105 63.546 0.000424798 -3.53975 63.546000 Cu 0.901427 0.622961 0.5 106 63.546 0.00129024 -3.53947 63.546000 Cu 0.971369 0.625343 1.26219e-17 108 63.546 0.000855573 -3.53907 63.546000 Cu 0.961356 0.642846 0.5 111 63.546 0.000412162 -3.53909 63.546000 Cu 0.0111525 0.680261 1.22733e-16 137 63.546 7.3996e-05 -3.53937 63.546000 Cu 0.02114 0.66279 0.5 138 63.546 9.13474e-05 -3.53958 63.546000 Cu 0.0910528 0.665259 4.66409e-17 140 63.546 8.37483e-05 -3.53947 63.546000 Cu 0.0811322 0.682723 0.5 143 63.546 9.48929e-06 -3.53938 63.546000 Cu 0.151133 0.685199 3.60625e-19 141 63.546 2.88595e-05 -3.53991 63.546000 Cu 0.161021 0.667731 0.5 142 63.546 2.91461e-05 -3.53979 63.546000 Cu 0.231024 0.670219 1.0939e-17 144 63.546 8.61501e-05 -3.54039 63.546000 Cu 0.291099 0.690201 1.22613e-16 145 63.546 1.25194e-05 -3.53995 63.546000 Cu 0.301047 0.672736 0.5 146 63.546 9.26256e-05 -3.54066 63.546000 Cu 0.221114 0.687695 0.5 147 63.546 2.10228e-05 -3.54009 63.546000 Cu 0.311066 0.655291 4.66409e-17 117 63.546 0.000126093 -3.54086 63.546000 Cu 0.451221 0.660318 5.08482e-17 121 63.546 0.000110659 -3.53968 63.546000 Cu 0.381224 0.657821 0.5 123 63.546 0.000136809 -3.54019 63.546000 Cu 0.371098 0.675266 3.60625e-19 148 63.546 4.13397e-05 -3.54015 63.546000 Cu 0.441128 0.677778 0.5 150 63.546 9.95032e-05 -3.53977 63.546000 Cu 0.591053 0.665259 1.62281e-17 125 63.546 8.37483e-05 -3.53947 63.546000 Cu 0.52114 0.66279 0.5 127 63.546 9.13474e-05 -3.53958 63.546000 Cu 0.511152 0.680261 6.49126e-17 152 63.546 7.3996e-05 -3.53937 63.546000 Cu 0.581132 0.682723 0.5 154 63.546 9.48929e-06 -3.53938 63.546000 Cu 0.661021 0.667731 0.5 131 63.546 2.91461e-05 -3.53979 63.546000 Cu 0.651133 0.685199 9.61668e-17 156 63.546 2.88595e-05 -3.53991 63.546000 Cu 0.731024 0.670219 1.22252e-16 129 63.546 8.61501e-05 -3.54039 63.546000 Cu 0.801047 0.672736 0.5 135 63.546 9.26256e-05 -3.54066 63.546000 Cu 0.721114 0.687695 0.5 158 63.546 2.10228e-05 -3.54009 63.546000 Cu 0.791099 0.690201 4.66409e-17 160 63.546 1.25194e-05 -3.53995 63.546000 Cu 0.811066 0.655291 0 132 63.546 0.000126093 -3.54086 63.546000 Cu 0.871098 0.675266 1.22252e-16 133 63.546 4.13397e-05 -3.54015 63.546000 Cu 0.881224 0.657821 0.5 134 63.546 0.000136809 -3.54019 63.546000 Cu 0.951221 0.660318 1.22372e-16 136 63.546 0.000110659 -3.53968 63.546000 Cu 0.941128 0.677778 0.5 139 63.546 9.95032e-05 -3.53977 63.546000 Cu 0.00120151 0.697705 0.5 166 63.546 5.46027e-05 -3.53961 63.546000 Cu 0.0711984 0.700186 3.60625e-19 168 63.546 5.55107e-05 -3.53964 63.546000 Cu 0.131103 0.720138 0 169 63.546 1.02064e-05 -3.54017 63.546000 Cu 0.14116 0.702667 0.5 170 63.546 2.9599e-05 -3.53992 63.546000 Cu 0.0611326 0.717649 0.5 171 63.546 1.51693e-05 -3.54005 63.546000 Cu 0.211127 0.705159 1.22372e-16 172 63.546 2.55839e-05 -3.53973 63.546000 Cu 0.271016 0.725116 1.22372e-16 173 63.546 2.50307e-05 -3.54009 63.546000 Cu 0.281118 0.707662 0.5 174 63.546 3.34691e-05 -3.53978 63.546000 Cu 0.201055 0.722626 0.5 175 63.546 5.59727e-06 -3.53999 63.546000 Cu 0.431136 0.695217 1.08789e-16 149 63.546 1.03735e-05 -3.53988 63.546000 Cu 0.361084 0.692712 0.5 151 63.546 2.34545e-05 -3.53975 63.546000 Cu 0.351124 0.710167 6.01042e-17 176 63.546 3.32874e-05 -3.53994 63.546000 Cu 0.411043 0.730125 1.22973e-16 177 63.546 7.86949e-06 -3.53995 63.546000 Cu 0.421134 0.712667 0.5 178 63.546 2.8151e-05 -3.54032 63.546000 Cu 0.341045 0.727619 0.5 179 63.546 9.34704e-06 -3.54012 63.546000 Cu 0.491153 0.715159 9.30413e-17 180 63.546 3.12716e-05 -3.54025 63.546000 Cu 0.571198 0.700186 1.25377e-16 153 63.546 5.55107e-05 -3.53964 63.546000 Cu 0.501202 0.697705 0.5 155 63.546 5.46027e-05 -3.53961 63.546000 Cu 0.64116 0.702667 0.5 159 63.546 2.9599e-05 -3.53992 63.546000 Cu 0.561133 0.717649 0.5 182 63.546 1.51693e-05 -3.54005 63.546000 Cu 0.631103 0.720138 6.01042e-19 184 63.546 1.02064e-05 -3.54017 63.546000 Cu 0.711127 0.705159 8.31843e-17 157 63.546 2.55839e-05 -3.53973 63.546000 Cu 0.781118 0.707662 0.5 163 63.546 3.34691e-05 -3.53978 63.546000 Cu 0.701055 0.722626 0.5 186 63.546 5.59727e-06 -3.53999 63.546000 Cu 0.771016 0.725116 4.66409e-17 188 63.546 2.50307e-05 -3.54009 63.546000 Cu 0.991153 0.715159 2.40417e-19 165 63.546 3.12716e-05 -3.54025 63.546000 Cu 0.851124 0.710167 2.40417e-19 161 63.546 3.32874e-05 -3.53994 63.546000 Cu 0.861084 0.692712 0.5 162 63.546 2.34545e-05 -3.53975 63.546000 Cu 0.931136 0.695217 1.22492e-16 164 63.546 1.03735e-05 -3.53988 63.546000 Cu 0.921134 0.712667 0.5 167 63.546 2.8151e-05 -3.54032 63.546000 Cu 0.841045 0.727619 0.5 190 63.546 9.34704e-06 -3.54012 63.546000 Cu 0.911043 0.730125 0 192 63.546 7.86949e-06 -3.53995 63.546000 Cu 0.0510108 0.735113 1.22252e-16 196 63.546 5.74624e-06 -3.54011 63.546000 Cu 0.110901 0.755069 0 197 63.546 2.84367e-05 -3.53973 63.546000 Cu 0.120985 0.737609 0.5 198 63.546 1.49523e-05 -3.54017 63.546000 Cu 0.0409407 0.752579 0.5 199 63.546 1.50529e-05 -3.5398 63.546000 Cu 0.19096 0.740096 1.22252e-16 200 63.546 1.23823e-05 -3.54014 63.546000 Cu 0.250909 0.760046 1.20208e-19 201 63.546 5.07597e-06 -3.53969 63.546000 Cu 0.260933 0.742584 0.5 202 63.546 1.84083e-05 -3.54007 63.546000 Cu 0.180922 0.757559 0.5 203 63.546 7.81549e-06 -3.53982 63.546000 Cu 0.330907 0.745073 3.60625e-19 204 63.546 5.90996e-05 -3.54027 63.546000 Cu 0.320903 0.762539 0.5 207 63.546 3.20338e-06 -3.54012 63.546000 Cu 0.390891 0.765033 7.21251e-19 205 63.546 1.19243e-05 -3.54014 63.546000 Cu 0.400939 0.747575 0.5 206 63.546 1.31435e-05 -3.53983 63.546000 Cu 0.46088 0.767533 0.5 208 63.546 2.09674e-05 -3.54003 63.546000 Cu 0.470928 0.750079 7.26059e-17 209 63.546 1.28309e-05 -3.53981 63.546000 Cu 0.481037 0.732622 0.5 183 63.546 5.51117e-06 -3.54012 63.546000 Cu 0.551011 0.735113 9.61668e-19 181 63.546 5.74624e-06 -3.54011 63.546000 Cu 0.620985 0.737609 0.5 187 63.546 1.49523e-05 -3.54017 63.546000 Cu 0.540941 0.752579 0.5 211 63.546 1.50529e-05 -3.5398 63.546000 Cu 0.610901 0.755069 2.40417e-19 212 63.546 2.84367e-05 -3.53973 63.546000 Cu 0.69096 0.740096 6.01042e-19 185 63.546 1.23823e-05 -3.54014 63.546000 Cu 0.760933 0.742584 0.5 191 63.546 1.84083e-05 -3.54007 63.546000 Cu 0.680922 0.757559 0.5 214 63.546 7.81549e-06 -3.53982 63.546000 Cu 0.750909 0.760046 4.66409e-17 216 63.546 5.07597e-06 -3.53969 63.546000 Cu 0.830907 0.745073 3.60625e-19 189 63.546 5.90996e-05 -3.54027 63.546000 Cu 0.820903 0.762539 0.5 218 63.546 3.20338e-06 -3.54012 63.546000 Cu 0.981037 0.732622 0.5 194 63.546 5.51117e-06 -3.54012 63.546000 Cu 0.970928 0.750079 0 193 63.546 1.28309e-05 -3.53981 63.546000 Cu 0.900939 0.747575 0.5 195 63.546 1.31435e-05 -3.53983 63.546000 Cu 0.890891 0.765033 6.01042e-19 220 63.546 1.19243e-05 -3.54014 63.546000 Cu 0.96088 0.767533 0.5 222 63.546 2.09674e-05 -3.54003 63.546000 Cu 0.0308906 0.770034 7.88567e-17 224 63.546 1.34994e-05 -3.53986 63.546000 Cu 0.0909399 0.789983 7.21251e-19 225 63.546 2.28618e-06 -3.5402 63.546000 Cu 0.100903 0.772525 0.5 226 63.546 8.78084e-06 -3.53985 63.546000 Cu 0.0209093 0.78749 0.5 227 63.546 6.36112e-06 -3.5401 63.546000 Cu 0.0109696 0.804949 4.66409e-17 252 63.546 2.97639e-06 -3.53992 63.546000 Cu 0.0809887 0.807441 0.5 254 63.546 5.60434e-06 -3.5401 63.546000 Cu 0.16096 0.792475 0.5 231 63.546 3.80051e-06 -3.5401 63.546000 Cu 0.170913 0.775012 2.67584e-16 228 63.546 8.80287e-06 -3.53989 63.546000 Cu 0.230953 0.794963 3.60625e-19 229 63.546 7.86913e-06 -3.53983 63.546000 Cu 0.240912 0.777502 0.5 230 63.546 6.57591e-06 -3.53963 63.546000 Cu 0.300928 0.797455 0.5 235 63.546 2.20278e-05 -3.53998 63.546000 Cu 0.310912 0.779999 4.62803e-17 232 63.546 2.5446e-06 -3.53979 63.546000 Cu 0.370945 0.79996 1.23214e-16 233 63.546 4.36421e-06 -3.54001 63.546000 Cu 0.380902 0.7825 0.5 234 63.546 6.58907e-06 -3.54008 63.546000 Cu 0.4509 0.784999 1.22853e-16 236 63.546 8.63721e-06 -3.54017 63.546000 Cu 0.440952 0.802459 0.5 237 63.546 9.77703e-06 -3.53988 63.546000 Cu 0.530891 0.770034 3.60625e-19 210 63.546 1.34994e-05 -3.53986 63.546000 Cu 0.600903 0.772525 0.5 215 63.546 8.78084e-06 -3.53985 63.546000 Cu 0.51097 0.804949 9.82103e-17 238 63.546 2.97639e-06 -3.53992 63.546000 Cu 0.520909 0.78749 0.5 239 63.546 6.36112e-06 -3.5401 63.546000 Cu 0.59094 0.789983 1.22132e-16 240 63.546 2.28618e-06 -3.5402 63.546000 Cu 0.580989 0.807441 0.5 243 63.546 5.60434e-06 -3.5401 63.546000 Cu 0.66096 0.792475 0.5 242 63.546 3.80051e-06 -3.5401 63.546000 Cu 0.670913 0.775012 1.22492e-16 213 63.546 8.80287e-06 -3.53989 63.546000 Cu 0.740912 0.777502 0.5 219 63.546 6.57591e-06 -3.53963 63.546000 Cu 0.730953 0.794963 1.22733e-16 244 63.546 7.86913e-06 -3.53983 63.546000 Cu 0.800928 0.797455 0.5 246 63.546 2.20278e-05 -3.53998 63.546000 Cu 0.810912 0.779999 2.11567e-17 217 63.546 2.5446e-06 -3.53979 63.546000 Cu 0.9509 0.784999 4.66409e-17 221 63.546 8.63721e-06 -3.54017 63.546000 Cu 0.880902 0.7825 0.5 223 63.546 6.58907e-06 -3.54008 63.546000 Cu 0.870945 0.79996 6.01042e-19 248 63.546 4.36421e-06 -3.54001 63.546000 Cu 0.940952 0.802459 0.5 250 63.546 9.77703e-06 -3.53988 63.546000 Cu 0.07108 0.824901 1.08188e-18 253 63.546 8.35361e-06 -3.54015 63.546000 Cu 0.00105687 0.822406 0.5 255 63.546 4.54939e-06 -3.53986 63.546000 Cu 0.141081 0.827402 0.5 259 63.546 9.94848e-06 -3.54028 63.546000 Cu 0.0611664 0.842367 0.5 282 63.546 1.48153e-05 -3.53987 63.546000 Cu 0.131177 0.844875 9.61668e-19 284 63.546 5.39599e-05 -3.54037 63.546000 Cu 0.151035 0.809937 1.08188e-18 256 63.546 1.26907e-05 -3.53999 63.546000 Cu 0.211076 0.829903 4.66409e-17 257 63.546 3.6015e-05 -3.53995 63.546000 Cu 0.221016 0.812433 0.5 258 63.546 1.74993e-06 -3.53977 63.546000 Cu 0.290982 0.814927 4.66409e-17 260 63.546 1.849e-05 -3.53988 63.546000 Cu 0.281082 0.832392 0.5 263 63.546 3.42555e-05 -3.53986 63.546000 Cu 0.351107 0.834872 3.60625e-19 261 63.546 3.82383e-05 -3.53983 63.546000 Cu 0.360977 0.817414 0.5 262 63.546 3.3651e-05 -3.53975 63.546000 Cu 0.43102 0.819909 7.0923e-18 264 63.546 3.37874e-06 -3.53965 63.546000 Cu 0.421113 0.837359 0.5 265 63.546 4.82102e-05 -3.53964 63.546000 Cu 0.49114 0.839857 6.01042e-19 266 63.546 1.04921e-05 -3.5398 63.546000 Cu 0.501057 0.822406 0.5 267 63.546 4.54939e-06 -3.53986 63.546000 Cu 0.57108 0.824901 7.90972e-17 268 63.546 8.35361e-06 -3.54015 63.546000 Cu 0.631177 0.844875 9.61668e-19 269 63.546 5.39599e-05 -3.54037 63.546000 Cu 0.641081 0.827402 0.5 270 63.546 9.94848e-06 -3.54028 63.546000 Cu 0.561166 0.842367 0.5 271 63.546 1.48153e-05 -3.53987 63.546000 Cu 0.651035 0.809937 1.22733e-16 241 63.546 1.26907e-05 -3.53999 63.546000 Cu 0.790982 0.814927 1.23214e-16 245 63.546 1.849e-05 -3.53988 63.546000 Cu 0.721016 0.812433 0.5 247 63.546 1.74993e-06 -3.53977 63.546000 Cu 0.711076 0.829903 9.61668e-19 272 63.546 3.6015e-05 -3.53995 63.546000 Cu 0.781082 0.832392 0.5 274 63.546 3.42555e-05 -3.53986 63.546000 Cu 0.99114 0.839857 6.01042e-19 280 63.546 1.04921e-05 -3.5398 63.546000 Cu 0.93102 0.819909 4.80834e-19 249 63.546 3.37874e-06 -3.53965 63.546000 Cu 0.860977 0.817414 0.5 251 63.546 3.3651e-05 -3.53975 63.546000 Cu 0.851107 0.834872 1.22853e-16 276 63.546 3.82383e-05 -3.53983 63.546000 Cu 0.921113 0.837359 0.5 278 63.546 4.82102e-05 -3.53964 63.546000 Cu 0.0511993 0.859816 1.37038e-16 281 63.546 4.16211e-05 -3.53941 63.546000 Cu 0.121281 0.862322 0.5 287 63.546 5.09593e-05 -3.53996 63.546000 Cu 0.0412 0.877261 0.5 310 63.546 0.000314395 -3.53943 63.546000 Cu 0.111295 0.879744 2.39215e-17 312 63.546 0.000150459 -3.53978 63.546000 Cu 0.191437 0.864833 3.60625e-19 285 63.546 0.000151609 -3.54064 63.546000 Cu 0.201243 0.847375 0.5 286 63.546 4.14712e-05 -3.54037 63.546000 Cu 0.271277 0.849866 4.66409e-17 288 63.546 2.48194e-05 -3.54047 63.546000 Cu 0.261534 0.867348 0.5 291 63.546 0.000159142 -3.54109 63.546000 Cu 0.181491 0.882258 0.5 314 63.546 0.000151884 -3.54053 63.546000 Cu 0.33157 0.869849 4.60398e-17 289 63.546 0.000133652 -3.54051 63.546000 Cu 0.341305 0.852354 0.5 290 63.546 3.07083e-05 -3.54017 63.546000 Cu 0.411246 0.854829 8.41459e-19 292 63.546 9.45957e-05 -3.53946 63.546000 Cu 0.401441 0.872329 0.5 293 63.546 8.63843e-05 -3.53935 63.546000 Cu 0.471256 0.874798 2.11567e-17 294 63.546 0.000278879 -3.53922 63.546000 Cu 0.481206 0.857314 0.5 295 63.546 0.0001042 -3.53954 63.546000 Cu 0.551199 0.859816 1.23214e-16 296 63.546 4.16211e-05 -3.53941 63.546000 Cu 0.611295 0.879744 3.72646e-18 297 63.546 0.000150459 -3.53978 63.546000 Cu 0.621281 0.862322 0.5 298 63.546 5.09593e-05 -3.53996 63.546000 Cu 0.5412 0.877261 0.5 299 63.546 0.000314395 -3.53943 63.546000 Cu 0.771277 0.849866 7.84961e-17 273 63.546 2.48194e-05 -3.54047 63.546000 Cu 0.701243 0.847375 0.5 275 63.546 4.14712e-05 -3.54037 63.546000 Cu 0.691437 0.864833 8.41459e-19 300 63.546 0.000151609 -3.54064 63.546000 Cu 0.761534 0.867348 0.5 302 63.546 0.000159142 -3.54109 63.546000 Cu 0.681491 0.882258 0.5 303 63.546 0.000151884 -3.54053 63.546000 Cu 0.83157 0.869849 1.59396e-16 304 63.546 0.000133652 -3.54051 63.546000 Cu 0.981206 0.857314 0.5 283 63.546 0.0001042 -3.53954 63.546000 Cu 0.911246 0.854829 1.22973e-16 277 63.546 9.45957e-05 -3.53946 63.546000 Cu 0.841305 0.852354 0.5 279 63.546 3.07083e-05 -3.54017 63.546000 Cu 0.901441 0.872329 0.5 306 63.546 8.63843e-05 -3.53935 63.546000 Cu 0.971256 0.874798 9.61668e-19 308 63.546 0.000278879 -3.53922 63.546000 Cu 0.0312436 0.894741 1.08188e-18 309 63.546 0.000741205 -3.53938 63.546000 Cu 0.101198 0.897166 0.5 315 63.546 0.000918805 -3.53939 63.546000 Cu 0.0214355 0.912287 0.5 338 63.546 0.00105371 -3.5398 63.546000 Cu 0.0912812 0.914609 6.01042e-19 340 63.546 0.00218975 -3.53776 63.546000 Cu 0.161328 0.91699 0.5 342 63.546 0.00260659 -3.53677 63.546000 Cu 0.171411 0.899632 2.08081e-16 313 63.546 0.000482054 -3.53964 63.546000 Cu 0.251752 0.884806 3.60625e-19 316 63.546 0.000575728 -3.54118 63.546000 Cu 0.241765 0.90219 0.5 319 63.546 0.000459268 -3.53995 63.546000 Cu 0.231529 0.919513 5.15694e-17 344 63.546 0.00210711 -3.53661 63.546000 Cu 0.301774 0.922194 0.5 346 63.546 0.00177182 -3.53869 63.546000 Cu 0.312048 0.904817 4.66409e-17 317 63.546 0.00189496 -3.54011 63.546000 Cu 0.321853 0.887355 0.5 318 63.546 0.000734749 -3.54071 63.546000 Cu 0.391715 0.88987 4.66409e-17 320 63.546 0.000297429 -3.53951 63.546000 Cu 0.451762 0.909912 9.61668e-19 321 63.546 0.0007165 -3.54048 63.546000 Cu 0.461448 0.892322 0.5 322 63.546 0.000236239 -3.5392 63.546000 Cu 0.382037 0.907417 0.5 323 63.546 0.00209311 -3.54045 63.546000 Cu 0.531244 0.894741 9.61668e-19 324 63.546 0.000741205 -3.53938 63.546000 Cu 0.591281 0.914609 7.33272e-17 325 63.546 0.00218975 -3.53776 63.546000 Cu 0.601198 0.897166 0.5 326 63.546 0.000918805 -3.53939 63.546000 Cu 0.521436 0.912287 0.5 327 63.546 0.00105371 -3.5398 63.546000 Cu 0.661328 0.91699 0.5 331 63.546 0.00260659 -3.53677 63.546000 Cu 0.751752 0.884806 1.04822e-16 301 63.546 0.000575728 -3.54118 63.546000 Cu 0.671411 0.899632 6.01042e-19 328 63.546 0.000482054 -3.53964 63.546000 Cu 0.731529 0.919513 6.01042e-19 329 63.546 0.00210711 -3.53661 63.546000 Cu 0.741765 0.90219 0.5 330 63.546 0.000459268 -3.53995 63.546000 Cu 0.801774 0.922194 0.5 335 63.546 0.00177182 -3.53869 63.546000 Cu 0.821853 0.887355 0.5 307 63.546 0.000734749 -3.54071 63.546000 Cu 0.812048 0.904817 4.66409e-17 332 63.546 0.00189496 -3.54011 63.546000 Cu 0.891715 0.88987 1.44731e-16 305 63.546 0.000297429 -3.53951 63.546000 Cu 0.961448 0.892322 0.5 311 63.546 0.000236239 -3.5392 63.546000 Cu 0.882037 0.907417 0.5 334 63.546 0.00209311 -3.54045 63.546000 Cu 0.951762 0.909912 9.61668e-19 336 63.546 0.0007165 -3.54048 63.546000 Cu 0.0121033 0.929887 1.08188e-18 337 63.546 0.00219891 -3.54062 63.546000 Cu 0.0818884 0.932123 0.5 343 63.546 0.00364964 -3.53526 63.546000 Cu 0.00360589 0.947484 0.5 366 63.546 0.0161564 -3.54103 63.546000 Cu 0.0732383 0.94982 6.01042e-19 368 63.546 0.0187244 -3.53421 63.546000 Cu 0.141683 0.95214 0.5 370 63.546 0.0367724 -3.52367 63.546000 Cu 0.151373 0.934408 0 341 63.546 0.0114846 -3.53062 63.546000 Cu 0.290631 0.939525 1.22973e-16 345 63.546 0.0043186 -3.53574 63.546000 Cu 0.220905 0.936872 0.5 347 63.546 0.0111134 -3.53127 63.546000 Cu 0.209553 0.954473 1.22492e-16 372 63.546 0.0398903 -3.52532 63.546000 Cu 0.27851 0.956947 0.5 374 63.546 0.0365003 -3.5385 63.546000 Cu 0.371997 0.924931 9.61668e-19 348 63.546 0.00552353 -3.54208 63.546000 Cu 0.432535 0.944976 4.66409e-17 349 63.546 0.0195679 -3.54411 63.546000 Cu 0.442125 0.927526 0.5 350 63.546 0.00729779 -3.54331 63.546000 Cu 0.361198 0.942295 0.5 351 63.546 0.0108093 -3.54346 63.546000 Cu 0.349723 0.959368 1.08188e-18 376 63.546 0.0269403 -3.53816 63.546000 Cu 0.512103 0.929887 4.66409e-17 352 63.546 0.00219891 -3.54062 63.546000 Cu 0.573238 0.94982 1.22853e-16 353 63.546 0.0187244 -3.53421 63.546000 Cu 0.581888 0.932123 0.5 354 63.546 0.00364964 -3.53526 63.546000 Cu 0.503606 0.947484 0.5 355 63.546 0.0161564 -3.54103 63.546000 Cu 0.641683 0.95214 0.5 359 63.546 0.0367724 -3.52367 63.546000 Cu 0.651373 0.934408 1.9594e-17 356 63.546 0.0114846 -3.53062 63.546000 Cu 0.709553 0.954473 5.73394e-17 357 63.546 0.0398903 -3.52532 63.546000 Cu 0.720905 0.936872 0.5 358 63.546 0.0111134 -3.53127 63.546000 Cu 0.790631 0.939525 1.08188e-18 360 63.546 0.0043186 -3.53574 63.546000 Cu 0.77851 0.956947 0.5 363 63.546 0.0365003 -3.5385 63.546000 Cu 0.871997 0.924931 9.61668e-19 333 63.546 0.00552353 -3.54208 63.546000 Cu 0.942125 0.927526 0.5 339 63.546 0.00729779 -3.54331 63.546000 Cu 0.849723 0.959368 4.66409e-17 361 63.546 0.0269403 -3.53816 63.546000 Cu 0.861198 0.942295 0.5 362 63.546 0.0108093 -3.54346 63.546000 Cu 0.932535 0.944976 9.61668e-19 364 63.546 0.0195679 -3.54411 63.546000 Cu 0.131721 0.970582 1.22853e-16 369 63.546 0.0858905 -3.5049 63.546000 Cu 0.065429 0.967907 0.5 371 63.546 0.159655 -3.50588 63.546000 Cu 0.0566165 0.986564 4.66409e-17 395 63.546 1.25036 -3.40834 63.546000 Cu 0.118713 0.990662 0.5 396 63.546 0.545438 -3.46945 63.546000 Cu 0.266034 0.97434 1.13236e-16 373 63.546 0.148257 -3.52101 63.546000 Cu 0.197218 0.972871 0.5 375 63.546 0.107277 -3.52628 63.546000 Cu 0.186723 0.991533 3.60625e-19 397 63.546 0.191886 -3.52018 63.546000 Cu 0.256597 0.992175 0.5 398 63.546 0.16386 -3.52631 63.546000 Cu 0.327613 0.992722 1 399 63.546 0.380187 -3.50024 63.546000 Cu 0.405166 0.994977 0.5 436 63.546 4.70235 -3.45874 63.546000 Cu 0.476784 0.998689 6.08255e-17 401 63.546 9.46264 -3.33484 63.546000 Cu 0.412662 0.978569 4.66409e-17 377 63.546 0.0630226 -3.51761 63.546000 Cu 0.423101 0.962048 0.5 378 63.546 0.0249505 -3.53729 63.546000 Cu 0.33902 0.976281 0.5 379 63.546 0.0643346 -3.53926 63.546000 Cu 0.495476 0.964949 8.41459e-19 380 63.546 0.0808239 -3.54086 63.546000 Cu 0.487578 0.982113 0.5 383 63.546 1.10976 -3.45291 63.546000 Cu 0.556616 0.986564 3.60625e-19 381 63.546 1.25036 -3.40834 63.546000 Cu 0.565429 0.967907 0.5 382 63.546 0.159655 -3.50588 63.546000 Cu 0.631721 0.970582 1.3235e-16 384 63.546 0.0858905 -3.5049 63.546000 Cu 0.618713 0.990662 0.5 387 63.546 0.545438 -3.46945 63.546000 Cu 0.686723 0.991533 3.60625e-19 385 63.546 0.191886 -3.52018 63.546000 Cu 0.697218 0.972871 0.5 386 63.546 0.107277 -3.52628 63.546000 Cu 0.766034 0.97434 1.47977e-16 388 63.546 0.148257 -3.52101 63.546000 Cu 0.756597 0.992175 0.5 391 63.546 0.16386 -3.52631 63.546000 Cu 0.827613 0.992722 1.08188e-18 389 63.546 0.380187 -3.50024 63.546000 Cu 0.976784 0.998689 1.20329e-16 408 63.546 9.46264 -3.33484 63.546000 Cu 0.905166 0.994977 0.5 409 63.546 4.70235 -3.45874 63.546000 Cu 0.995476 0.964949 9.61668e-19 365 63.546 0.0808239 -3.54086 63.546000 Cu 0.987578 0.982113 0.5 393 63.546 1.10976 -3.45291 63.546000 Cu 0.923101 0.962048 0.5 367 63.546 0.0249505 -3.53729 63.546000 Cu 0.83902 0.976281 0.5 390 63.546 0.0643346 -3.53926 63.546000 Cu 0.912662 0.978569 4.66409e-17 392 63.546 0.0630226 -3.51761