Number of particles = 796 A = 1 Angstrom (basic length-scale) H0(1,1) = 25.6187 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 102.254 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61176 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 0.00224066 0.00504928 0 408 63.546 0.168428 -3.53376 63.546000 Cu 0.141326 0.00508863 1.82573e-16 410 63.546 6.42606 -3.21508 63.546000 Cu 0.0727405 0.00507476 0.5 411 63.546 0.482669 -3.50098 63.546000 Cu 0.0144283 0.0406908 5.45739e-17 421 63.546 0.148702 -3.52214 63.546000 Cu 0.00549672 0.02284 0.5 422 63.546 0.164773 -3.52811 63.546000 Cu 0.0764832 0.022374 3.21199e-17 424 63.546 0.341547 -3.50383 63.546000 Cu 0.160672 0.0367696 5.52943e-17 425 63.546 0.0811593 -3.51288 63.546000 Cu 0.153244 0.0203465 0.5 426 63.546 4.45258 -3.4599 63.546000 Cu 0.0871791 0.0389005 0.5 427 63.546 0.0682522 -3.53825 63.546000 Cu 0.224069 0.0168265 8.7054e-18 428 63.546 9.0461 -3.31182 63.546000 Cu 0.305508 0.0282533 1 429 63.546 0.933825 -3.43147 63.546000 Cu 0.284394 0.00577928 0.5 430 63.546 8.66222 -3.55591 63.546000 Cu 0.235996 0.0331687 0.5 431 63.546 0.878693 -3.45607 63.546000 Cu 0.355849 0.00487675 2.07129e-17 432 63.546 2.44812 -3.52418 63.546000 Cu 0.435358 0.0233465 5.58346e-18 433 63.546 0.232669 -3.5217 63.546000 Cu 0.430474 0.00499199 0.5 434 63.546 0.39905 -3.52433 63.546000 Cu 0.367606 0.0241697 0.5 435 63.546 0.501127 -3.47403 63.546000 Cu 0.502241 0.00504928 0 436 63.546 0.168428 -3.53376 63.546000 Cu 0.641326 0.00508863 2.51316e-16 403 63.546 6.42606 -3.21508 63.546000 Cu 0.653244 0.0203465 0.5 405 63.546 4.45258 -3.4599 63.546000 Cu 0.660672 0.0367696 6.49603e-17 412 63.546 0.0811593 -3.51288 63.546000 Cu 0.576483 0.022374 6.13581e-17 437 63.546 0.341547 -3.50383 63.546000 Cu 0.572741 0.00507476 0.5 438 63.546 0.482669 -3.50098 63.546000 Cu 0.505497 0.02284 0.5 439 63.546 0.164773 -3.52811 63.546000 Cu 0.514428 0.0406908 2.64764e-17 464 63.546 0.148702 -3.52214 63.546000 Cu 0.587179 0.0389005 0.5 466 63.546 0.0682522 -3.53825 63.546000 Cu 0.724069 0.0168265 9.61196e-17 404 63.546 9.0461 -3.31182 63.546000 Cu 0.784394 0.00577928 0.5 407 63.546 8.66222 -3.55591 63.546000 Cu 0.735996 0.0331687 0.5 414 63.546 0.878693 -3.45607 63.546000 Cu 0.805508 0.0282533 4.20261e-19 416 63.546 0.933825 -3.43147 63.546000 Cu 0.855849 0.00487675 6.00373e-20 406 63.546 2.44812 -3.52418 63.546000 Cu 0.930474 0.00499199 0.5 409 63.546 0.39905 -3.52433 63.546000 Cu 0.867606 0.0241697 0.5 418 63.546 0.501127 -3.47403 63.546000 Cu 0.935358 0.0233465 1 420 63.546 0.232669 -3.5217 63.546000 Cu 0.0386189 0.0756055 3.07391e-17 449 63.546 0.00648865 -3.53454 63.546000 Cu 0.0266165 0.0581527 0.5 450 63.546 0.041143 -3.53783 63.546000 Cu 0.0976741 0.0558353 9.81609e-17 452 63.546 0.0345336 -3.53631 63.546000 Cu 0.109226 0.0728655 0.5 455 63.546 0.0103768 -3.54276 63.546000 Cu 0.180812 0.0701576 6.448e-17 453 63.546 0.019855 -3.54393 63.546000 Cu 0.171216 0.0531854 0.5 454 63.546 0.0238962 -3.53588 63.546000 Cu 0.244034 0.0501769 1.57057e-16 456 63.546 0.100727 -3.5393 63.546000 Cu 0.321829 0.0651672 1.42889e-16 457 63.546 0.0227765 -3.53405 63.546000 Cu 0.314222 0.0470238 0.5 458 63.546 0.185434 -3.51069 63.546000 Cu 0.252117 0.0675757 0.5 459 63.546 0.0221127 -3.54126 63.546000 Cu 0.330335 0.0828824 0.5 487 63.546 0.00329887 -3.53535 63.546000 Cu 0.380307 0.044331 2.00524e-17 460 63.546 0.0849181 -3.50312 63.546000 Cu 0.45784 0.060544 1 461 63.546 0.0400365 -3.52543 63.546000 Cu 0.445734 0.0420618 0.5 462 63.546 0.111775 -3.5273 63.546000 Cu 0.390166 0.062842 0.5 463 63.546 0.037297 -3.52259 63.546000 Cu 0.3997 0.0806196 6.30391e-18 489 63.546 0.0113332 -3.52984 63.546000 Cu 0.468998 0.078202 0.5 491 63.546 0.0123428 -3.53016 63.546000 Cu 0.597674 0.0558353 6.00373e-20 465 63.546 0.0345336 -3.53631 63.546000 Cu 0.526616 0.0581527 0.5 467 63.546 0.041143 -3.53783 63.546000 Cu 0.538619 0.0756055 1.80112e-19 493 63.546 0.00648865 -3.53454 63.546000 Cu 0.609226 0.0728655 0.5 495 63.546 0.0103768 -3.54276 63.546000 Cu 0.744034 0.0501769 1 413 63.546 0.100727 -3.5393 63.546000 Cu 0.671216 0.0531854 0.5 415 63.546 0.0238962 -3.53588 63.546000 Cu 0.814222 0.0470238 0.5 419 63.546 0.185434 -3.51069 63.546000 Cu 0.680812 0.0701576 4.64088e-17 440 63.546 0.019855 -3.54393 63.546000 Cu 0.752117 0.0675757 0.5 442 63.546 0.0221127 -3.54126 63.546000 Cu 0.821829 0.0651672 0 444 63.546 0.0227765 -3.53405 63.546000 Cu 0.830335 0.0828824 0.5 447 63.546 0.00329887 -3.53535 63.546000 Cu 0.880307 0.044331 1.80112e-19 417 63.546 0.0849181 -3.50312 63.546000 Cu 0.945734 0.0420618 0.5 423 63.546 0.111775 -3.5273 63.546000 Cu 0.8997 0.0806196 1.38206e-16 445 63.546 0.0113332 -3.52984 63.546000 Cu 0.890166 0.062842 0.5 446 63.546 0.037297 -3.52259 63.546000 Cu 0.95784 0.060544 1 448 63.546 0.0400365 -3.52543 63.546000 Cu 0.968998 0.078202 0.5 451 63.546 0.0123428 -3.53016 63.546000 Cu 0.0603057 0.110251 8.2251e-18 478 63.546 0.00145595 -3.54042 63.546000 Cu 0.0498295 0.0929063 0.5 479 63.546 0.00107723 -3.53779 63.546000 Cu 0.12011 0.0901577 0 481 63.546 0.00484273 -3.54165 63.546000 Cu 0.13034 0.107609 0.5 484 63.546 0.00243785 -3.54112 63.546000 Cu 0.200128 0.10508 4.76696e-17 482 63.546 0.00175914 -3.54072 63.546000 Cu 0.190445 0.0875228 0.5 483 63.546 0.00899015 -3.54324 63.546000 Cu 0.26056 0.085134 4.32268e-18 485 63.546 0.00326598 -3.54016 63.546000 Cu 0.269841 0.102705 0.5 488 63.546 0.000990941 -3.53956 63.546000 Cu 0.209944 0.122662 0.5 513 63.546 0.000207193 -3.53967 63.546000 Cu 0.279613 0.120261 2.55759e-17 515 63.546 0.000886154 -3.53928 63.546000 Cu 0.339632 0.100425 1 486 63.546 0.00224794 -3.53812 63.546000 Cu 0.479628 0.0955777 6.11179e-17 490 63.546 0.00271238 -3.53559 63.546000 Cu 0.409602 0.0980789 0.5 492 63.546 0.0036336 -3.53648 63.546000 Cu 0.349515 0.117876 0.5 517 63.546 0.00140565 -3.53912 63.546000 Cu 0.419703 0.115435 1.80112e-17 519 63.546 0.000802978 -3.53913 63.546000 Cu 0.490053 0.11289 0.5 521 63.546 0.000578452 -3.53955 63.546000 Cu 0.62011 0.0901577 3.60224e-19 494 63.546 0.00484273 -3.54165 63.546000 Cu 0.549829 0.0929063 0.5 496 63.546 0.00107723 -3.53779 63.546000 Cu 0.560306 0.110251 3.60224e-19 523 63.546 0.00145595 -3.54042 63.546000 Cu 0.63034 0.107609 0.5 524 63.546 0.00243785 -3.54112 63.546000 Cu 0.76056 0.085134 0 441 63.546 0.00326598 -3.54016 63.546000 Cu 0.690445 0.0875228 0.5 443 63.546 0.00899015 -3.54324 63.546000 Cu 0.700128 0.10508 0 469 63.546 0.00175914 -3.54072 63.546000 Cu 0.779613 0.120261 1.15272e-17 470 63.546 0.000886154 -3.53928 63.546000 Cu 0.769841 0.102705 0.5 471 63.546 0.000990941 -3.53956 63.546000 Cu 0.709944 0.122662 0.5 472 63.546 0.000207193 -3.53967 63.546000 Cu 0.839632 0.100425 5.77558e-17 473 63.546 0.00224794 -3.53812 63.546000 Cu 0.919703 0.115435 0 474 63.546 0.000802978 -3.53913 63.546000 Cu 0.909602 0.0980789 0.5 475 63.546 0.0036336 -3.53648 63.546000 Cu 0.849515 0.117876 0.5 476 63.546 0.00140565 -3.53912 63.546000 Cu 0.979628 0.0955777 0 477 63.546 0.00271238 -3.53559 63.546000 Cu 0.990053 0.11289 0.5 480 63.546 0.000578452 -3.53955 63.546000 Cu 0.000163981 0.130241 4.80298e-19 507 63.546 0.000404696 -3.54076 63.546000 Cu 0.0801723 0.145143 1 508 63.546 0.000270241 -3.54027 63.546000 Cu 0.0703485 0.127679 0.5 509 63.546 0.000941722 -3.54077 63.546000 Cu 0.0101009 0.147653 0.5 510 63.546 0.000283577 -3.54069 63.546000 Cu 0.140266 0.125139 9.28176e-17 511 63.546 0.000692075 -3.54034 63.546000 Cu 0.150086 0.142665 0.5 514 63.546 0.000134213 -3.53968 63.546000 Cu 0.0200112 0.165111 2.98385e-17 536 63.546 0.000127852 -3.54059 63.546000 Cu 0.0899913 0.162628 0.5 538 63.546 4.24967e-05 -3.54027 63.546000 Cu 0.159934 0.160165 5.98571e-17 540 63.546 7.43866e-05 -3.53962 63.546000 Cu 0.219862 0.140212 2.68967e-17 512 63.546 0.000245707 -3.53925 63.546000 Cu 0.289675 0.137759 0.5 518 63.546 0.000475541 -3.53935 63.546000 Cu 0.229872 0.1577 0.5 542 63.546 0.0001683 -3.53911 63.546000 Cu 0.29982 0.155219 6.6041e-19 544 63.546 0.00014909 -3.53923 63.546000 Cu 0.359659 0.135291 1.80112e-19 516 63.546 0.000410682 -3.53956 63.546000 Cu 0.429853 0.132787 0.5 522 63.546 0.000153525 -3.54027 63.546000 Cu 0.369846 0.152709 0.5 546 63.546 4.93112e-05 -3.53969 63.546000 Cu 0.439944 0.150181 5.84763e-17 548 63.546 0.000134994 -3.54036 63.546000 Cu 0.500164 0.130241 1 520 63.546 0.000404696 -3.54076 63.546000 Cu 0.640266 0.125139 3.60224e-19 468 63.546 0.000692075 -3.54034 63.546000 Cu 0.659934 0.160165 1.19474e-17 497 63.546 7.43866e-05 -3.53962 63.546000 Cu 0.650086 0.142665 0.5 498 63.546 0.000134213 -3.53968 63.546000 Cu 0.570348 0.127679 0.5 525 63.546 0.000941722 -3.54077 63.546000 Cu 0.520011 0.165111 1.54296e-17 549 63.546 0.000127852 -3.54059 63.546000 Cu 0.510101 0.147653 0.5 550 63.546 0.000283577 -3.54069 63.546000 Cu 0.580172 0.145143 2.40149e-19 552 63.546 0.000270241 -3.54027 63.546000 Cu 0.589991 0.162628 0.5 553 63.546 4.24967e-05 -3.54027 63.546000 Cu 0.719862 0.140212 1 499 63.546 0.000245707 -3.53925 63.546000 Cu 0.79982 0.155219 7.77482e-17 500 63.546 0.00014909 -3.53923 63.546000 Cu 0.789675 0.137759 0.5 501 63.546 0.000475541 -3.53935 63.546000 Cu 0.729872 0.1577 0.5 502 63.546 0.0001683 -3.53911 63.546000 Cu 0.859659 0.135291 1.05485e-16 503 63.546 0.000410682 -3.53956 63.546000 Cu 0.939944 0.150181 0 504 63.546 0.000134994 -3.54036 63.546000 Cu 0.929853 0.132787 0.5 505 63.546 0.000153525 -3.54027 63.546000 Cu 0.869846 0.152709 0.5 506 63.546 4.93112e-05 -3.53969 63.546000 Cu 0.0999251 0.180116 0 537 63.546 1.97301e-05 -3.53992 63.546000 Cu 0.0299658 0.182599 0.5 539 63.546 7.59279e-06 -3.54018 63.546000 Cu 0.0399558 0.200082 1 564 63.546 3.19832e-06 -3.53998 63.546000 Cu 0.109927 0.197594 0.5 566 63.546 8.78907e-06 -3.53998 63.546000 Cu 0.239897 0.175154 1.27879e-17 541 63.546 3.64671e-05 -3.53931 63.546000 Cu 0.169894 0.177638 0.5 543 63.546 4.31936e-05 -3.53956 63.546000 Cu 0.309924 0.172654 0.5 547 63.546 1.79702e-05 -3.53934 63.546000 Cu 0.179919 0.195102 4.41874e-17 568 63.546 1.22954e-05 -3.54005 63.546000 Cu 0.249936 0.192606 0.5 570 63.546 1.38147e-05 -3.54019 63.546000 Cu 0.319974 0.190101 1.20075e-19 572 63.546 2.26479e-05 -3.54026 63.546000 Cu 0.329993 0.207573 0.5 575 63.546 5.49614e-06 -3.54051 63.546000 Cu 0.379963 0.170139 1 545 63.546 3.73644e-05 -3.53975 63.546000 Cu 0.449996 0.167619 0.5 551 63.546 0.000109693 -3.54029 63.546000 Cu 0.399999 0.20507 0 573 63.546 6.29028e-06 -3.54042 63.546000 Cu 0.390004 0.187593 0.5 574 63.546 3.88658e-05 -3.54028 63.546000 Cu 0.460004 0.18509 1.06866e-17 576 63.546 3.11519e-05 -3.54025 63.546000 Cu 0.469985 0.202573 0.5 579 63.546 2.97937e-06 -3.54018 63.546000 Cu 0.539956 0.200082 6.97633e-17 577 63.546 3.19832e-06 -3.53998 63.546000 Cu 0.529966 0.182599 0.5 578 63.546 7.59279e-06 -3.54018 63.546000 Cu 0.599925 0.180116 0 580 63.546 1.97301e-05 -3.53992 63.546000 Cu 0.609927 0.197594 0.5 581 63.546 8.78907e-06 -3.53998 63.546000 Cu 0.679919 0.195102 1 526 63.546 1.22954e-05 -3.54005 63.546000 Cu 0.669894 0.177638 0.5 527 63.546 4.31936e-05 -3.53956 63.546000 Cu 0.739897 0.175154 1 528 63.546 3.64671e-05 -3.53931 63.546000 Cu 0.819974 0.190101 1.21876e-17 529 63.546 2.26479e-05 -3.54026 63.546000 Cu 0.809924 0.172654 0.5 530 63.546 1.79702e-05 -3.53934 63.546000 Cu 0.749936 0.192606 0.5 531 63.546 1.38147e-05 -3.54019 63.546000 Cu 0.829993 0.207573 0.5 558 63.546 5.49614e-06 -3.54051 63.546000 Cu 0.879963 0.170139 7.14443e-18 532 63.546 3.73644e-05 -3.53975 63.546000 Cu 0.960004 0.18509 1 533 63.546 3.11519e-05 -3.54025 63.546000 Cu 0.949996 0.167619 0.5 534 63.546 0.000109693 -3.54029 63.546000 Cu 0.890004 0.187593 0.5 535 63.546 3.88658e-05 -3.54028 63.546000 Cu 0.899999 0.20507 2.48554e-17 560 63.546 6.29028e-06 -3.54042 63.546000 Cu 0.969985 0.202573 0.5 562 63.546 2.97937e-06 -3.54018 63.546000 Cu 0.119955 0.215072 1 565 63.546 4.84356e-06 -3.54005 63.546000 Cu 0.0499656 0.217565 0.5 567 63.546 4.74844e-06 -3.54 63.546000 Cu 0.0599855 0.235038 0 594 63.546 3.32393e-07 -3.53985 63.546000 Cu 0.129982 0.232543 0.5 596 63.546 2.95442e-07 -3.53984 63.546000 Cu 0.259973 0.210077 0 569 63.546 2.13627e-06 -3.54041 63.546000 Cu 0.189958 0.212577 0.5 571 63.546 2.94964e-06 -3.54021 63.546000 Cu 0.199983 0.230047 0 598 63.546 4.88368e-07 -3.53989 63.546000 Cu 0.279999 0.245022 9.9902e-17 599 63.546 1.02392e-07 -3.53995 63.546000 Cu 0.269989 0.227549 0.5 600 63.546 1.11595e-06 -3.53999 63.546000 Cu 0.209999 0.247518 0.5 601 63.546 9.63921e-08 -3.53994 63.546000 Cu 0.339992 0.22505 1.59699e-17 602 63.546 1.61587e-06 -3.54009 63.546000 Cu 0.419996 0.240028 0 603 63.546 7.02724e-07 -3.53993 63.546000 Cu 0.409991 0.222553 0.5 604 63.546 1.92492e-06 -3.54011 63.546000 Cu 0.349998 0.242525 0.5 605 63.546 4.61913e-07 -3.53995 63.546000 Cu 0.47998 0.220057 1.37485e-16 606 63.546 3.1265e-06 -3.54005 63.546000 Cu 0.489991 0.237533 0.5 609 63.546 4.89175e-07 -3.53989 63.546000 Cu 0.559985 0.235038 0 607 63.546 3.32393e-07 -3.53985 63.546000 Cu 0.549966 0.217565 0.5 608 63.546 4.74844e-06 -3.54 63.546000 Cu 0.619955 0.215072 1 610 63.546 4.84356e-06 -3.54005 63.546000 Cu 0.629982 0.232543 0.5 611 63.546 2.95442e-07 -3.53984 63.546000 Cu 0.699983 0.230047 1.15151e-16 554 63.546 4.88368e-07 -3.53989 63.546000 Cu 0.689958 0.212577 0.5 555 63.546 2.94964e-06 -3.54021 63.546000 Cu 0.759973 0.210077 4.29266e-17 556 63.546 2.13627e-06 -3.54041 63.546000 Cu 0.769989 0.227549 0.5 559 63.546 1.11595e-06 -3.53999 63.546000 Cu 0.709999 0.247518 0.5 584 63.546 9.63921e-08 -3.53994 63.546000 Cu 0.779999 0.245022 1.60299e-17 586 63.546 1.02392e-07 -3.53995 63.546000 Cu 0.839992 0.22505 7.0964e-17 557 63.546 1.61587e-06 -3.54009 63.546000 Cu 0.97998 0.220057 0 561 63.546 3.1265e-06 -3.54005 63.546000 Cu 0.909991 0.222553 0.5 563 63.546 1.92492e-06 -3.54011 63.546000 Cu 0.849998 0.242525 0.5 588 63.546 4.61913e-07 -3.53995 63.546000 Cu 0.919996 0.240028 8.64537e-18 590 63.546 7.02724e-07 -3.53993 63.546000 Cu 0.989991 0.237533 0.5 592 63.546 4.89175e-07 -3.53989 63.546000 Cu 9.51516e-06 0.255005 0 591 63.546 1.98902e-07 -3.53983 63.546000 Cu 0.140001 0.250015 0 595 63.546 1.93553e-07 -3.53991 63.546000 Cu 0.0700047 0.25251 0.5 597 63.546 1.24269e-07 -3.53987 63.546000 Cu 0.0200382 0.289953 0 621 63.546 1.47848e-06 -3.54024 63.546000 Cu 0.0100284 0.272475 0.5 622 63.546 2.61122e-06 -3.53987 63.546000 Cu 0.080018 0.269982 5.88365e-18 624 63.546 1.57481e-06 -3.53989 63.546000 Cu 0.16001 0.284963 6.03975e-17 625 63.546 2.46757e-06 -3.5405 63.546000 Cu 0.15001 0.267487 0.5 626 63.546 7.91954e-07 -3.53992 63.546000 Cu 0.0900196 0.28746 0.5 627 63.546 9.8651e-07 -3.5404 63.546000 Cu 0.220008 0.26499 1 628 63.546 5.15995e-07 -3.53991 63.546000 Cu 0.300027 0.279962 0 629 63.546 2.20333e-06 -3.54027 63.546000 Cu 0.29001 0.262493 0.5 630 63.546 5.04221e-07 -3.53986 63.546000 Cu 0.230015 0.282463 0.5 631 63.546 2.52363e-06 -3.54045 63.546000 Cu 0.360013 0.259996 1 632 63.546 5.10273e-07 -3.53981 63.546000 Cu 0.440037 0.274969 0 633 63.546 3.27844e-06 -3.53993 63.546000 Cu 0.430013 0.2575 0.5 634 63.546 4.13434e-07 -3.5398 63.546000 Cu 0.370037 0.277464 0.5 635 63.546 3.00662e-06 -3.54007 63.546000 Cu 0.50001 0.255005 4.23263e-17 636 63.546 1.98902e-07 -3.53983 63.546000 Cu 0.640001 0.250015 1 582 63.546 1.93553e-07 -3.53991 63.546000 Cu 0.65001 0.267487 0.5 585 63.546 7.91954e-07 -3.53992 63.546000 Cu 0.66001 0.284963 4.53281e-17 612 63.546 2.46757e-06 -3.5405 63.546000 Cu 0.580018 0.269982 0 637 63.546 1.57481e-06 -3.53989 63.546000 Cu 0.570005 0.25251 0.5 638 63.546 1.24269e-07 -3.53987 63.546000 Cu 0.510028 0.272475 0.5 639 63.546 2.61122e-06 -3.53987 63.546000 Cu 0.520038 0.289953 1 664 63.546 1.47848e-06 -3.54024 63.546000 Cu 0.59002 0.28746 0.5 666 63.546 9.8651e-07 -3.5404 63.546000 Cu 0.720008 0.26499 8.65137e-17 583 63.546 5.15995e-07 -3.53991 63.546000 Cu 0.79001 0.262493 0.5 589 63.546 5.04221e-07 -3.53986 63.546000 Cu 0.730015 0.282463 0.5 614 63.546 2.52363e-06 -3.54045 63.546000 Cu 0.800027 0.279962 2.33545e-17 616 63.546 2.20333e-06 -3.54027 63.546000 Cu 0.860013 0.259996 0 587 63.546 5.10273e-07 -3.53981 63.546000 Cu 0.930013 0.2575 0.5 593 63.546 4.13434e-07 -3.5398 63.546000 Cu 0.870037 0.277464 0.5 618 63.546 3.00662e-06 -3.54007 63.546000 Cu 0.940037 0.274969 5.81161e-17 620 63.546 3.27844e-06 -3.53993 63.546000 Cu 0.0400151 0.324907 4.09454e-17 649 63.546 4.29745e-05 -3.53991 63.546000 Cu 0.0300322 0.307435 0.5 650 63.546 1.13749e-05 -3.54014 63.546000 Cu 0.100013 0.304942 1.19474e-17 652 63.546 3.48196e-05 -3.54022 63.546000 Cu 0.110015 0.322399 0.5 655 63.546 3.12768e-05 -3.53965 63.546000 Cu 0.180047 0.31989 5.6375e-17 653 63.546 8.55543e-06 -3.53948 63.546000 Cu 0.170019 0.302441 0.5 654 63.546 3.65334e-05 -3.54027 63.546000 Cu 0.240039 0.299937 3.03188e-17 656 63.546 2.13527e-05 -3.54028 63.546000 Cu 0.320102 0.314895 1 657 63.546 1.78648e-05 -3.53962 63.546000 Cu 0.310059 0.297435 0.5 658 63.546 9.15516e-06 -3.54023 63.546000 Cu 0.250082 0.317388 0.5 659 63.546 9.04266e-06 -3.53948 63.546000 Cu 0.330132 0.332351 0.5 687 63.546 5.57581e-05 -3.53974 63.546000 Cu 0.380065 0.294938 0 660 63.546 4.5869e-06 -3.54015 63.546000 Cu 0.460064 0.309923 0 661 63.546 3.98127e-06 -3.54001 63.546000 Cu 0.450057 0.292445 0.5 662 63.546 3.26497e-06 -3.54015 63.546000 Cu 0.390093 0.312408 0.5 663 63.546 1.39035e-05 -3.53981 63.546000 Cu 0.400104 0.32988 1 689 63.546 2.9067e-05 -3.53993 63.546000 Cu 0.470051 0.327401 0.5 691 63.546 2.33426e-05 -3.54002 63.546000 Cu 0.600013 0.304942 3.25402e-17 665 63.546 3.48196e-05 -3.54022 63.546000 Cu 0.530032 0.307435 0.5 667 63.546 1.13749e-05 -3.54014 63.546000 Cu 0.540015 0.324907 0 693 63.546 4.29745e-05 -3.53991 63.546000 Cu 0.610015 0.322399 0.5 695 63.546 3.12768e-05 -3.53965 63.546000 Cu 0.740039 0.299937 4.98309e-17 613 63.546 2.13527e-05 -3.54028 63.546000 Cu 0.670019 0.302441 0.5 615 63.546 3.65334e-05 -3.54027 63.546000 Cu 0.810059 0.297435 0.5 619 63.546 9.15516e-06 -3.54023 63.546000 Cu 0.680047 0.31989 8.12304e-17 640 63.546 8.55543e-06 -3.53948 63.546000 Cu 0.750082 0.317388 0.5 642 63.546 9.04266e-06 -3.53948 63.546000 Cu 0.820102 0.314895 0 644 63.546 1.78648e-05 -3.53962 63.546000 Cu 0.830132 0.332351 0.5 647 63.546 5.57581e-05 -3.53974 63.546000 Cu 0.880065 0.294938 0 617 63.546 4.5869e-06 -3.54015 63.546000 Cu 0.950057 0.292445 0.5 623 63.546 3.26497e-06 -3.54015 63.546000 Cu 0.900104 0.32988 1.02664e-17 645 63.546 2.9067e-05 -3.53993 63.546000 Cu 0.890093 0.312408 0.5 646 63.546 1.39035e-05 -3.53981 63.546000 Cu 0.960064 0.309923 0 648 63.546 3.98127e-06 -3.54001 63.546000 Cu 0.970051 0.327401 0.5 651 63.546 2.33426e-05 -3.54002 63.546000 Cu 0.060055 0.359797 1 678 63.546 0.000139735 -3.54059 63.546000 Cu 0.0500244 0.342363 0.5 679 63.546 7.47741e-05 -3.54032 63.546000 Cu 0.120063 0.339841 6.11179e-17 681 63.546 1.89125e-05 -3.54009 63.546000 Cu 0.130185 0.357273 0.5 684 63.546 6.99785e-05 -3.54009 63.546000 Cu 0.140371 0.374682 6.00373e-20 711 63.546 0.000441175 -3.53967 63.546000 Cu 0.200217 0.354767 1 682 63.546 0.000123921 -3.53953 63.546000 Cu 0.190099 0.337326 0.5 683 63.546 2.9512e-05 -3.5398 63.546000 Cu 0.26013 0.334829 0 685 63.546 5.88904e-05 -3.53966 63.546000 Cu 0.270164 0.352285 0.5 688 63.546 0.000158199 -3.53942 63.546000 Cu 0.210355 0.372217 0.5 713 63.546 0.00048515 -3.53898 63.546000 Cu 0.28016 0.369771 7.80484e-18 715 63.546 0.000186408 -3.53905 63.546000 Cu 0.340079 0.349822 0 686 63.546 5.70955e-05 -3.53965 63.546000 Cu 0.480001 0.344873 4.46077e-17 690 63.546 0.000105655 -3.54032 63.546000 Cu 0.410013 0.347358 0.5 692 63.546 4.38564e-05 -3.5401 63.546000 Cu 0.34993 0.367316 0.5 717 63.546 0.000125856 -3.53965 63.546000 Cu 0.41984 0.364833 0 719 63.546 0.000253847 -3.54048 63.546000 Cu 0.489912 0.362323 0.5 721 63.546 0.000248752 -3.54074 63.546000 Cu 0.620063 0.339841 2.06528e-17 694 63.546 1.89125e-05 -3.54009 63.546000 Cu 0.550024 0.342363 0.5 696 63.546 7.47741e-05 -3.54032 63.546000 Cu 0.560055 0.359797 4.68291e-18 723 63.546 0.000139735 -3.54059 63.546000 Cu 0.630185 0.357273 0.5 724 63.546 6.99785e-05 -3.54009 63.546000 Cu 0.640371 0.374682 6.52005e-17 668 63.546 0.000441175 -3.53967 63.546000 Cu 0.76013 0.334829 1 641 63.546 5.88904e-05 -3.53966 63.546000 Cu 0.690099 0.337326 0.5 643 63.546 2.9512e-05 -3.5398 63.546000 Cu 0.700217 0.354767 1.32082e-18 669 63.546 0.000123921 -3.53953 63.546000 Cu 0.78016 0.369771 6.50204e-17 670 63.546 0.000186408 -3.53905 63.546000 Cu 0.770164 0.352285 0.5 671 63.546 0.000158199 -3.53942 63.546000 Cu 0.710355 0.372217 0.5 672 63.546 0.00048515 -3.53898 63.546000 Cu 0.840079 0.349822 2.22138e-17 673 63.546 5.70955e-05 -3.53965 63.546000 Cu 0.91984 0.364833 2.40149e-19 674 63.546 0.000253847 -3.54048 63.546000 Cu 0.910013 0.347358 0.5 675 63.546 4.38564e-05 -3.5401 63.546000 Cu 0.84993 0.367316 0.5 676 63.546 0.000125856 -3.53965 63.546000 Cu 0.980001 0.344873 0 677 63.546 0.000105655 -3.54032 63.546000 Cu 0.989912 0.362323 0.5 680 63.546 0.000248752 -3.54074 63.546000 Cu 0.080333 0.394532 4.12456e-17 708 63.546 0.00085906 -3.53908 63.546000 Cu 0.0701538 0.377186 0.5 709 63.546 0.000132156 -3.54023 63.546000 Cu 0.0100148 0.397074 0.5 710 63.546 0.000501158 -3.53939 63.546000 Cu 0.150515 0.392094 0.5 714 63.546 0.00138315 -3.53913 63.546000 Cu 0.0204317 0.414382 1 736 63.546 0.00273365 -3.53568 63.546000 Cu 0.0904616 0.411888 0.5 738 63.546 0.00350309 -3.53636 63.546000 Cu 0.160356 0.409542 6.14181e-17 740 63.546 0.00188646 -3.53745 63.546000 Cu 0.220395 0.389709 1 712 63.546 0.000741686 -3.53899 63.546000 Cu 0.29007 0.387304 0.5 718 63.546 0.000179661 -3.53935 63.546000 Cu 0.230161 0.407246 0.5 742 63.546 0.000832429 -3.5399 63.546000 Cu 0.299902 0.404874 6.82624e-17 744 63.546 0.00164193 -3.54098 63.546000 Cu 0.359772 0.384833 0 716 63.546 0.000649125 -3.54001 63.546000 Cu 0.499862 0.37973 0 720 63.546 0.000413848 -3.54066 63.546000 Cu 0.429679 0.382295 0.5 722 63.546 0.000978461 -3.54078 63.546000 Cu 0.369697 0.402347 0.5 746 63.546 0.00238083 -3.54108 63.546000 Cu 0.43974 0.399709 0 748 63.546 0.00144446 -3.5404 63.546000 Cu 0.660356 0.409542 1.83054e-16 697 63.546 0.00188646 -3.53745 63.546000 Cu 0.650515 0.392094 0.5 698 63.546 0.00138315 -3.53913 63.546000 Cu 0.570154 0.377186 0.5 725 63.546 0.000132156 -3.54023 63.546000 Cu 0.520432 0.414382 0 749 63.546 0.00273365 -3.53568 63.546000 Cu 0.510015 0.397074 0.5 750 63.546 0.000501158 -3.53939 63.546000 Cu 0.580333 0.394532 1 752 63.546 0.00085906 -3.53908 63.546000 Cu 0.590462 0.411888 0.5 753 63.546 0.00350309 -3.53636 63.546000 Cu 0.720395 0.389709 1.16772e-16 699 63.546 0.000741686 -3.53899 63.546000 Cu 0.799902 0.404874 2.40149e-19 700 63.546 0.00164193 -3.54098 63.546000 Cu 0.79007 0.387304 0.5 701 63.546 0.000179661 -3.53935 63.546000 Cu 0.730161 0.407246 0.5 702 63.546 0.000832429 -3.5399 63.546000 Cu 0.999862 0.37973 1.80112e-19 707 63.546 0.000413848 -3.54066 63.546000 Cu 0.859772 0.384833 1 703 63.546 0.000649125 -3.54001 63.546000 Cu 0.93974 0.399709 1 704 63.546 0.00144446 -3.5404 63.546000 Cu 0.929679 0.382295 0.5 705 63.546 0.000978461 -3.54078 63.546000 Cu 0.869697 0.402347 0.5 706 63.546 0.00238083 -3.54108 63.546000 Cu 0.100373 0.429342 0 737 63.546 0.0112386 -3.53022 63.546000 Cu 0.0310209 0.431762 0.5 739 63.546 0.0119321 -3.53014 63.546000 Cu 0.0422471 0.449413 3.00186e-19 764 63.546 0.039668 -3.52543 63.546000 Cu 0.109889 0.447122 0.5 766 63.546 0.0362445 -3.52211 63.546000 Cu 0.239451 0.424821 0 741 63.546 0.00319519 -3.54105 63.546000 Cu 0.16969 0.427075 0.5 743 63.546 0.00330281 -3.53512 63.546000 Cu 0.309612 0.42243 0.5 747 63.546 0.00900224 -3.54369 63.546000 Cu 0.178227 0.444785 4.38272e-17 768 63.546 0.0224043 -3.53379 63.546000 Cu 0.247953 0.442375 0.5 770 63.546 0.0222519 -3.54118 63.546000 Cu 0.319275 0.439787 1.40007e-16 772 63.546 0.0195048 -3.54347 63.546000 Cu 0.328878 0.456748 0.5 775 63.546 0.0240281 -3.53561 63.546000 Cu 0.379944 0.419796 8.18908e-17 745 63.546 0.00487365 -3.54207 63.546000 Cu 0.450272 0.417049 0.5 751 63.546 0.000907989 -3.53801 63.546000 Cu 0.402401 0.454102 0 773 63.546 0.0344889 -3.53626 63.546000 Cu 0.390838 0.437078 0.5 774 63.546 0.00996392 -3.54255 63.546000 Cu 0.461472 0.434347 1 776 63.546 0.00680519 -3.53393 63.546000 Cu 0.473447 0.451788 0.5 779 63.546 0.0408448 -3.53795 63.546000 Cu 0.542247 0.449413 3.49417e-17 777 63.546 0.039668 -3.52543 63.546000 Cu 0.531021 0.431762 0.5 778 63.546 0.0119321 -3.53014 63.546000 Cu 0.600373 0.429342 1.03564e-16 780 63.546 0.0112386 -3.53022 63.546000 Cu 0.609889 0.447122 0.5 781 63.546 0.0362445 -3.52211 63.546000 Cu 0.678227 0.444785 1 726 63.546 0.0224043 -3.53379 63.546000 Cu 0.66969 0.427075 0.5 727 63.546 0.00330281 -3.53512 63.546000 Cu 0.739451 0.424821 4.94707e-17 728 63.546 0.00319519 -3.54105 63.546000 Cu 0.819275 0.439787 1 729 63.546 0.0195048 -3.54347 63.546000 Cu 0.809612 0.42243 0.5 730 63.546 0.00900224 -3.54369 63.546000 Cu 0.747953 0.442375 0.5 731 63.546 0.0222519 -3.54118 63.546000 Cu 0.828878 0.456748 0.5 758 63.546 0.0240281 -3.53561 63.546000 Cu 0.879944 0.419796 1 732 63.546 0.00487365 -3.54207 63.546000 Cu 0.961472 0.434347 3.60224e-19 733 63.546 0.00680519 -3.53393 63.546000 Cu 0.950272 0.417049 0.5 734 63.546 0.000907989 -3.53801 63.546000 Cu 0.890838 0.437078 0.5 735 63.546 0.00996392 -3.54255 63.546000 Cu 0.902401 0.454102 1 760 63.546 0.0344889 -3.53626 63.546000 Cu 0.973447 0.451788 0.5 762 63.546 0.0408448 -3.53795 63.546000 Cu 0.11972 0.465615 7.90691e-17 765 63.546 0.0843897 -3.50265 63.546000 Cu 0.0543382 0.467887 0.5 767 63.546 0.11137 -3.52709 63.546000 Cu 0.0646148 0.48658 3.90242e-17 788 63.546 0.228184 -3.52244 63.546000 Cu 0.132447 0.485751 0.5 790 63.546 0.493449 -3.47612 63.546000 Cu 0.25607 0.459756 2.32344e-17 769 63.546 0.100265 -3.53963 63.546000 Cu 0.185808 0.462908 0.5 771 63.546 0.187185 -3.5119 63.546000 Cu 0.194639 0.481689 2.02326e-17 791 63.546 0.902992 -3.43285 63.546000 Cu 0.276085 0.493061 2.77372e-17 792 63.546 9.01582 -3.31064 63.546000 Cu 0.2641 0.476764 0.5 793 63.546 0.860348 -3.45579 63.546000 Cu 0.494459 0.48711 0.5 16 63.546 0.158258 -3.52828 63.546000 Cu 0.485635 0.469264 1.17073e-17 395 63.546 0.147355 -3.52286 63.546000 Cu 0.346879 0.489583 0.5 401 63.546 4.42339 -3.46226 63.546000 Cu 0.412931 0.47104 0.5 402 63.546 0.0692627 -3.53808 63.546000 Cu 0.339445 0.473153 2.98986e-17 795 63.546 0.0833389 -3.51242 63.546000 Cu 0.423511 0.48757 1.21936e-16 796 63.546 0.334037 -3.50432 63.546000 Cu 0.632447 0.485751 0.5 4 63.546 0.493449 -3.47612 63.546000 Cu 0.61972 0.465615 1 7 63.546 0.0843897 -3.50265 63.546000 Cu 0.554338 0.467887 0.5 18 63.546 0.11137 -3.52709 63.546000 Cu 0.564615 0.48658 0 393 63.546 0.228184 -3.52244 63.546000 Cu 0.694639 0.481689 1.89117e-17 754 63.546 0.902992 -3.43285 63.546000 Cu 0.685808 0.462908 0.5 755 63.546 0.187185 -3.5119 63.546000 Cu 0.75607 0.459756 1.71707e-17 756 63.546 0.100265 -3.53963 63.546000 Cu 0.7641 0.476764 0.5 759 63.546 0.860348 -3.45579 63.546000 Cu 0.776085 0.493061 2.83376e-17 784 63.546 9.01582 -3.31064 63.546000 Cu 0.839445 0.473153 6.00373e-19 757 63.546 0.0833389 -3.51242 63.546000 Cu 0.985635 0.469264 4.20261e-19 761 63.546 0.147355 -3.52286 63.546000 Cu 0.912931 0.47104 0.5 763 63.546 0.0692627 -3.53808 63.546000 Cu 0.846879 0.489583 0.5 785 63.546 4.42339 -3.46226 63.546000 Cu 0.923511 0.48757 4.80298e-19 786 63.546 0.334037 -3.50432 63.546000 Cu 0.994459 0.48711 0.5 787 63.546 0.158258 -3.52828 63.546000 Cu 0.0695688 0.504941 0.5 5 63.546 0.405821 -3.52411 63.546000 Cu 0.0640367 0.523298 5.66752e-17 28 63.546 0.200665 -3.52137 63.546000 Cu 0.131996 0.524161 0.5 30 63.546 0.555159 -3.47163 63.546000 Cu 0.144191 0.505062 2.68367e-17 789 63.546 2.46837 -3.52425 63.546000 Cu 0.215613 0.504026 0.5 794 63.546 8.6729 -3.55626 63.546000 Cu 0.273837 0.516214 3.32606e-17 6 63.546 9.41197 -3.33206 63.546000 Cu 0.194057 0.528329 6.29791e-17 32 63.546 1.25777 -3.4104 63.546000 Cu 0.263285 0.532794 0.5 34 63.546 1.10098 -3.45186 63.546000 Cu 0.345559 0.519952 0.5 8 63.546 4.67998 -3.45517 63.546000 Cu 0.358729 0.504883 1.97583e-16 9 63.546 6.4091 -3.21493 63.546000 Cu 0.423123 0.522169 2.4135e-17 10 63.546 0.382211 -3.49944 63.546000 Cu 0.427217 0.504891 0.5 11 63.546 0.481837 -3.50028 63.546000 Cu 0.497733 0.504881 6.06376e-18 12 63.546 0.168382 -3.5343 63.546000 Cu 0.49413 0.522684 0.5 15 63.546 0.163652 -3.52732 63.546000 Cu 0.338318 0.53633 3.56621e-17 36 63.546 0.0639318 -3.51549 63.546000 Cu 0.412037 0.538602 0.5 39 63.546 0.065782 -3.53832 63.546000 Cu 0.485054 0.540516 3.32006e-17 40 63.546 0.155281 -3.52088 63.546000 Cu 0.564037 0.523298 2.5816e-17 13 63.546 0.200665 -3.52137 63.546000 Cu 0.569569 0.504941 0.5 14 63.546 0.405821 -3.52411 63.546000 Cu 0.631996 0.524161 0.5 19 63.546 0.555159 -3.47163 63.546000 Cu 0.644191 0.505062 5.37333e-17 782 63.546 2.46837 -3.52425 63.546000 Cu 0.715613 0.504026 0.5 783 63.546 8.6729 -3.55626 63.546000 Cu 0.694057 0.528329 1.84915e-17 17 63.546 1.25777 -3.4104 63.546000 Cu 0.773837 0.516214 0 20 63.546 9.41197 -3.33206 63.546000 Cu 0.763285 0.532794 0.5 23 63.546 1.10098 -3.45186 63.546000 Cu 0.858729 0.504883 1 1 63.546 6.4091 -3.21493 63.546000 Cu 0.997733 0.504881 6.41798e-17 2 63.546 0.168382 -3.5343 63.546000 Cu 0.927217 0.504891 0.5 3 63.546 0.481837 -3.50028 63.546000 Cu 0.838318 0.53633 1.57898e-17 21 63.546 0.0639318 -3.51549 63.546000 Cu 0.845559 0.519952 0.5 22 63.546 4.67998 -3.45517 63.546000 Cu 0.923123 0.522169 2.46753e-17 24 63.546 0.382211 -3.49944 63.546000 Cu 0.985054 0.540516 8.27914e-17 25 63.546 0.155281 -3.52088 63.546000 Cu 0.99413 0.522684 0.5 26 63.546 0.163652 -3.52732 63.546000 Cu 0.912037 0.538602 0.5 27 63.546 0.065782 -3.53832 63.546000 Cu 0.119157 0.54427 8.81347e-17 29 63.546 0.090057 -3.50531 63.546000 Cu 0.0537049 0.541971 0.5 31 63.546 0.106233 -3.52726 63.546000 Cu 0.0416968 0.560386 3.8724e-17 56 63.546 0.0410815 -3.52467 63.546000 Cu 0.100012 0.580445 4.56283e-17 57 63.546 0.0115096 -3.53061 63.546000 Cu 0.10954 0.56271 0.5 58 63.546 0.0362403 -3.52324 63.546000 Cu 0.0305345 0.577983 0.5 59 63.546 0.0105309 -3.53095 63.546000 Cu 0.255669 0.549923 9.58195e-17 33 63.546 0.0783763 -3.53964 63.546000 Cu 0.18554 0.546941 0.5 35 63.546 0.164106 -3.50554 63.546000 Cu 0.328183 0.552841 0.5 37 63.546 0.0238465 -3.53661 63.546000 Cu 0.177978 0.565008 0 60 63.546 0.0181022 -3.53393 63.546000 Cu 0.247664 0.567357 0.5 62 63.546 0.0179348 -3.54084 63.546000 Cu 0.169512 0.582715 0.5 63 63.546 0.0036291 -3.53564 63.546000 Cu 0.318882 0.569893 1.17073e-17 64 63.546 0.0184115 -3.54422 63.546000 Cu 0.401611 0.555493 2.29943e-17 38 63.546 0.0291845 -3.53774 63.546000 Cu 0.472778 0.557899 0.5 43 63.546 0.0373905 -3.53819 63.546000 Cu 0.390299 0.57257 0.5 67 63.546 0.0108395 -3.54362 63.546000 Cu 0.460841 0.575333 5.28928e-17 68 63.546 0.00412896 -3.53575 63.546000 Cu 0.541697 0.560386 5.55945e-17 41 63.546 0.0410815 -3.52467 63.546000 Cu 0.553705 0.541971 0.5 42 63.546 0.106233 -3.52726 63.546000 Cu 0.619157 0.54427 0 44 63.546 0.090057 -3.50531 63.546000 Cu 0.60954 0.56271 0.5 47 63.546 0.0362403 -3.52324 63.546000 Cu 0.530534 0.577983 0.5 70 63.546 0.0105309 -3.53095 63.546000 Cu 0.600012 0.580445 1.1263e-16 72 63.546 0.0115096 -3.53061 63.546000 Cu 0.677978 0.565008 1.37485e-16 45 63.546 0.0181022 -3.53393 63.546000 Cu 0.68554 0.546941 0.5 46 63.546 0.164106 -3.50554 63.546000 Cu 0.755669 0.549923 1 48 63.546 0.0783763 -3.53964 63.546000 Cu 0.818882 0.569893 2.40149e-19 49 63.546 0.0184115 -3.54422 63.546000 Cu 0.828183 0.552841 0.5 50 63.546 0.0238465 -3.53661 63.546000 Cu 0.747664 0.567357 0.5 51 63.546 0.0179348 -3.54084 63.546000 Cu 0.669512 0.582715 0.5 74 63.546 0.0036291 -3.53564 63.546000 Cu 0.901611 0.555493 2.40149e-19 52 63.546 0.0291845 -3.53774 63.546000 Cu 0.960841 0.575333 2.67766e-17 53 63.546 0.00412896 -3.53575 63.546000 Cu 0.972778 0.557899 0.5 54 63.546 0.0373905 -3.53819 63.546000 Cu 0.890299 0.57257 0.5 55 63.546 0.0108395 -3.54362 63.546000 Cu 0.0199985 0.595358 1 84 63.546 0.00225 -3.53669 63.546000 Cu 0.0801527 0.615245 1.31482e-16 85 63.546 0.000666468 -3.5397 63.546000 Cu 0.0901309 0.59788 0.5 86 63.546 0.00295183 -3.53713 63.546000 Cu 0.00974996 0.61269 0.5 87 63.546 0.000442501 -3.53984 63.546000 Cu 0.160219 0.600246 6.97033e-17 88 63.546 0.00233773 -3.53841 63.546000 Cu 0.150393 0.617706 0.5 91 63.546 0.00146053 -3.53961 63.546000 Cu 0.239291 0.584939 5.76358e-17 61 63.546 0.00287085 -3.54029 63.546000 Cu 0.309318 0.587308 0.5 65 63.546 0.00851452 -3.5433 63.546000 Cu 0.220322 0.620112 2.19136e-17 89 63.546 0.000996781 -3.53931 63.546000 Cu 0.230072 0.602542 0.5 90 63.546 0.0012355 -3.53966 63.546000 Cu 0.299739 0.604914 4.05251e-17 92 63.546 0.00130784 -3.54056 63.546000 Cu 0.290013 0.622525 0.5 93 63.546 0.000203451 -3.53933 63.546000 Cu 0.379565 0.589931 0 66 63.546 0.00458634 -3.54184 63.546000 Cu 0.449765 0.592671 0.5 71 63.546 0.00133683 -3.53859 63.546000 Cu 0.359684 0.624991 0 94 63.546 0.000494046 -3.53986 63.546000 Cu 0.369455 0.607427 0.5 95 63.546 0.00237806 -3.5408 63.546000 Cu 0.439468 0.610055 1.30281e-17 96 63.546 0.00159495 -3.54032 63.546000 Cu 0.519999 0.595358 4.76696e-17 69 63.546 0.00225 -3.53669 63.546000 Cu 0.660219 0.600246 6.08778e-17 73 63.546 0.00233773 -3.53841 63.546000 Cu 0.590131 0.59788 0.5 75 63.546 0.00295183 -3.53713 63.546000 Cu 0.50975 0.61269 0.5 98 63.546 0.000442501 -3.53984 63.546000 Cu 0.580153 0.615245 0 100 63.546 0.000666468 -3.5397 63.546000 Cu 0.650393 0.617706 0.5 102 63.546 0.00146053 -3.53961 63.546000 Cu 0.739291 0.584939 0 76 63.546 0.00287085 -3.54029 63.546000 Cu 0.799739 0.604914 1 77 63.546 0.00130784 -3.54056 63.546000 Cu 0.809318 0.587308 0.5 78 63.546 0.00851452 -3.5433 63.546000 Cu 0.730072 0.602542 0.5 79 63.546 0.0012355 -3.53966 63.546000 Cu 0.720322 0.620112 2.01125e-17 104 63.546 0.000996781 -3.53931 63.546000 Cu 0.790013 0.622525 0.5 106 63.546 0.000203451 -3.53933 63.546000 Cu 0.879565 0.589931 1 80 63.546 0.00458634 -3.54184 63.546000 Cu 0.939468 0.610055 1 81 63.546 0.00159495 -3.54032 63.546000 Cu 0.949765 0.592671 0.5 82 63.546 0.00133683 -3.53859 63.546000 Cu 0.869455 0.607427 0.5 83 63.546 0.00237806 -3.5408 63.546000 Cu 0.859684 0.624991 1 108 63.546 0.000494046 -3.53986 63.546000 Cu 0.059968 0.650033 0 113 63.546 0.000211497 -3.54043 63.546000 Cu 0.0700527 0.632618 0.5 114 63.546 0.000146999 -3.54039 63.546000 Cu 0.140269 0.635139 1 116 63.546 0.000391774 -3.53973 63.546000 Cu 0.130084 0.652573 0.5 119 63.546 4.08618e-05 -3.5398 63.546000 Cu 0.200144 0.655098 0 117 63.546 0.000143047 -3.53938 63.546000 Cu 0.210288 0.637624 0.5 118 63.546 0.000513062 -3.53941 63.546000 Cu 0.280134 0.640086 0 120 63.546 0.000307047 -3.5392 63.546000 Cu 0.270119 0.657591 0.5 123 63.546 0.000193434 -3.53929 63.546000 Cu 0.499737 0.630064 1.03264e-17 97 63.546 0.000476951 -3.54065 63.546000 Cu 0.42957 0.627511 0.5 99 63.546 0.000915866 -3.54041 63.546000 Cu 0.340063 0.66006 1.98123e-17 121 63.546 0.000107076 -3.53975 63.546000 Cu 0.349925 0.642537 0.5 122 63.546 9.23646e-05 -3.53952 63.546000 Cu 0.419811 0.645005 5.57746e-17 124 63.546 0.000222731 -3.5402 63.546000 Cu 0.479955 0.664998 0 125 63.546 0.000104263 -3.54064 63.546000 Cu 0.489837 0.647505 0.5 126 63.546 0.000373108 -3.54073 63.546000 Cu 0.409997 0.662523 0.5 127 63.546 2.96309e-05 -3.54032 63.546000 Cu 0.640269 0.635139 2.53958e-17 101 63.546 0.000391774 -3.53973 63.546000 Cu 0.570053 0.632618 0.5 103 63.546 0.000146999 -3.54039 63.546000 Cu 0.559968 0.650033 1 128 63.546 0.000211497 -3.54043 63.546000 Cu 0.630084 0.652573 0.5 130 63.546 4.08618e-05 -3.5398 63.546000 Cu 0.780134 0.640086 3.27803e-17 105 63.546 0.000307047 -3.5392 63.546000 Cu 0.710288 0.637624 0.5 107 63.546 0.000513062 -3.53941 63.546000 Cu 0.700144 0.655098 3.56621e-17 132 63.546 0.000143047 -3.53938 63.546000 Cu 0.770119 0.657591 0.5 134 63.546 0.000193434 -3.53929 63.546000 Cu 0.919811 0.645005 3.5422e-18 109 63.546 0.000222731 -3.5402 63.546000 Cu 0.92957 0.627511 0.5 110 63.546 0.000915866 -3.54041 63.546000 Cu 0.849925 0.642537 0.5 111 63.546 9.23646e-05 -3.53952 63.546000 Cu 0.999737 0.630064 2.40149e-19 112 63.546 0.000476951 -3.54065 63.546000 Cu 0.989837 0.647505 0.5 115 63.546 0.000373108 -3.54073 63.546000 Cu 0.840063 0.66006 1 136 63.546 0.000107076 -3.53975 63.546000 Cu 0.909997 0.662523 0.5 138 63.546 2.96309e-05 -3.54032 63.546000 Cu 0.979955 0.664998 0 140 63.546 0.000104263 -3.54064 63.546000 Cu 0.03997 0.685002 1.75309e-17 141 63.546 2.77814e-05 -3.54036 63.546000 Cu 0.0499493 0.667502 0.5 142 63.546 0.000140507 -3.54044 63.546000 Cu 0.119977 0.670025 1 144 63.546 7.11376e-05 -3.53996 63.546000 Cu 0.109956 0.687506 0.5 147 63.546 4.92219e-05 -3.54047 63.546000 Cu 0.0300025 0.702509 0.5 170 63.546 4.63605e-06 -3.54013 63.546000 Cu 0.0999802 0.705006 1 172 63.546 6.39285e-06 -3.54038 63.546000 Cu 0.179984 0.690019 4.6709e-17 145 63.546 2.94328e-05 -3.54047 63.546000 Cu 0.190028 0.67255 0.5 146 63.546 1.91422e-05 -3.53955 63.546000 Cu 0.260076 0.675062 1.04825e-16 148 63.546 4.14793e-05 -3.53947 63.546000 Cu 0.320067 0.695035 6.6041e-18 149 63.546 1.18653e-05 -3.54012 63.546000 Cu 0.330093 0.677553 0.5 150 63.546 6.00397e-05 -3.53964 63.546000 Cu 0.250033 0.692531 0.5 151 63.546 9.21051e-06 -3.54032 63.546000 Cu 0.169983 0.70751 0.5 174 63.546 7.97938e-06 -3.54048 63.546000 Cu 0.400068 0.680033 9.54592e-18 152 63.546 3.21912e-05 -3.53995 63.546000 Cu 0.46004 0.700019 3.66227e-18 153 63.546 9.4059e-06 -3.53995 63.546000 Cu 0.470021 0.682513 0.5 154 63.546 8.66889e-06 -3.54022 63.546000 Cu 0.39007 0.69753 0.5 155 63.546 1.78383e-05 -3.53999 63.546000 Cu 0.619977 0.670025 0 129 63.546 7.11376e-05 -3.53996 63.546000 Cu 0.549949 0.667502 0.5 131 63.546 0.000140507 -3.54044 63.546000 Cu 0.53997 0.685002 0 156 63.546 2.77814e-05 -3.54036 63.546000 Cu 0.59998 0.705006 1 157 63.546 6.39285e-06 -3.54038 63.546000 Cu 0.609956 0.687506 0.5 158 63.546 4.92219e-05 -3.54047 63.546000 Cu 0.530003 0.702509 0.5 159 63.546 4.63605e-06 -3.54013 63.546000 Cu 0.760076 0.675062 4.20261e-19 133 63.546 4.14793e-05 -3.53947 63.546000 Cu 0.690028 0.67255 0.5 135 63.546 1.91422e-05 -3.53955 63.546000 Cu 0.830093 0.677553 0.5 139 63.546 6.00397e-05 -3.53964 63.546000 Cu 0.679984 0.690019 1 160 63.546 2.94328e-05 -3.54047 63.546000 Cu 0.750033 0.692531 0.5 162 63.546 9.21051e-06 -3.54032 63.546000 Cu 0.669983 0.70751 0.5 163 63.546 7.97938e-06 -3.54048 63.546000 Cu 0.820067 0.695035 1 164 63.546 1.18653e-05 -3.54012 63.546000 Cu 0.900068 0.680033 2.10731e-17 137 63.546 3.21912e-05 -3.53995 63.546000 Cu 0.970021 0.682513 0.5 143 63.546 8.66889e-06 -3.54022 63.546000 Cu 0.89007 0.69753 0.5 166 63.546 1.78383e-05 -3.53999 63.546000 Cu 0.96004 0.700019 0 168 63.546 9.4059e-06 -3.53995 63.546000 Cu 0.0200156 0.720006 7.03637e-17 169 63.546 6.78388e-06 -3.53985 63.546000 Cu 0.159997 0.724999 6.88027e-17 173 63.546 2.56942e-06 -3.53995 63.546000 Cu 0.090001 0.722501 0.5 175 63.546 3.60633e-06 -3.53992 63.546000 Cu 0.0100069 0.73749 0.5 198 63.546 7.9906e-07 -3.53985 63.546000 Cu 0.080002 0.739986 0 200 63.546 1.08747e-06 -3.53991 63.546000 Cu 0.149999 0.742484 0.5 202 63.546 6.78919e-07 -3.53995 63.546000 Cu 0.240005 0.710017 0 176 63.546 5.8263e-06 -3.54037 63.546000 Cu 0.300007 0.73 5.51142e-17 177 63.546 9.86529e-07 -3.53982 63.546000 Cu 0.310028 0.712521 0.5 178 63.546 5.99861e-06 -3.54012 63.546000 Cu 0.23 0.7275 0.5 179 63.546 1.8715e-06 -3.5399 63.546000 Cu 0.219998 0.744982 1.09268e-17 204 63.546 1.8492e-07 -3.53997 63.546000 Cu 0.289999 0.74748 0.5 206 63.546 1.43558e-07 -3.53996 63.546000 Cu 0.380038 0.715019 3.65627e-17 180 63.546 8.98566e-06 -3.53989 63.546000 Cu 0.440011 0.734994 1.19894e-16 181 63.546 4.15252e-07 -3.53979 63.546000 Cu 0.450032 0.717513 0.5 182 63.546 1.01487e-05 -3.5398 63.546000 Cu 0.370012 0.732498 0.5 183 63.546 4.15963e-07 -3.53978 63.546000 Cu 0.359997 0.749978 0 209 63.546 2.93902e-07 -3.53992 63.546000 Cu 0.520016 0.720006 1 184 63.546 6.78388e-06 -3.53985 63.546000 Cu 0.580002 0.739986 3.95646e-17 185 63.546 1.08747e-06 -3.53991 63.546000 Cu 0.590001 0.722501 0.5 186 63.546 3.60633e-06 -3.53992 63.546000 Cu 0.510007 0.73749 0.5 187 63.546 7.9906e-07 -3.53985 63.546000 Cu 0.659997 0.724999 6.55607e-17 188 63.546 2.56942e-06 -3.53995 63.546000 Cu 0.649999 0.742484 0.5 191 63.546 6.78919e-07 -3.53995 63.546000 Cu 0.740005 0.710017 1.24277e-17 161 63.546 5.8263e-06 -3.54037 63.546000 Cu 0.810028 0.712521 0.5 167 63.546 5.99861e-06 -3.54012 63.546000 Cu 0.719998 0.744982 0 189 63.546 1.8492e-07 -3.53997 63.546000 Cu 0.73 0.7275 0.5 190 63.546 1.8715e-06 -3.5399 63.546000 Cu 0.800007 0.73 1.63181e-16 192 63.546 9.86529e-07 -3.53982 63.546000 Cu 0.789999 0.74748 0.5 195 63.546 1.43558e-07 -3.53996 63.546000 Cu 0.880038 0.715019 1 165 63.546 8.98566e-06 -3.53989 63.546000 Cu 0.950032 0.717513 0.5 171 63.546 1.01487e-05 -3.5398 63.546000 Cu 0.859997 0.749978 0 193 63.546 2.93902e-07 -3.53992 63.546000 Cu 0.870012 0.732498 0.5 194 63.546 4.15963e-07 -3.53978 63.546000 Cu 0.940011 0.734994 2.85177e-17 196 63.546 4.15252e-07 -3.53979 63.546000 Cu 0.13999 0.759964 1 201 63.546 1.01222e-06 -3.53976 63.546000 Cu 0.069989 0.757467 0.5 203 63.546 7.32408e-07 -3.53977 63.546000 Cu 0.0599675 0.774943 0 228 63.546 4.49931e-06 -3.53977 63.546000 Cu 0.12997 0.777439 0.5 230 63.546 4.57069e-06 -3.53992 63.546000 Cu 0.279995 0.764961 8.10503e-17 205 63.546 5.71412e-07 -3.53982 63.546000 Cu 0.209993 0.762462 0.5 207 63.546 8.18769e-07 -3.53979 63.546000 Cu 0.199983 0.779939 0 232 63.546 4.63224e-06 -3.54012 63.546000 Cu 0.269997 0.782442 0.5 234 63.546 5.09771e-06 -3.54028 63.546000 Cu 0.349993 0.767459 0.5 208 63.546 9.1078e-07 -3.53981 63.546000 Cu 0.419985 0.769955 0 210 63.546 2.18787e-06 -3.53976 63.546000 Cu 0.429995 0.752474 0.5 211 63.546 2.14892e-07 -3.53987 63.546000 Cu 0.499991 0.754971 6.69415e-17 212 63.546 3.19283e-07 -3.53981 63.546000 Cu 0.489974 0.772449 0.5 215 63.546 3.79349e-06 -3.53973 63.546000 Cu 0.340002 0.784944 1 236 63.546 4.65009e-06 -3.5403 63.546000 Cu 0.40999 0.787442 0.5 239 63.546 4.11214e-06 -3.54019 63.546000 Cu 0.479968 0.789935 1 240 63.546 6.35937e-06 -3.54005 63.546000 Cu 0.559968 0.774943 0 213 63.546 4.49931e-06 -3.53977 63.546000 Cu 0.569989 0.757467 0.5 214 63.546 7.32408e-07 -3.53977 63.546000 Cu 0.63999 0.759964 0 216 63.546 1.01222e-06 -3.53976 63.546000 Cu 0.62997 0.777439 0.5 219 63.546 4.57069e-06 -3.53992 63.546000 Cu 0.699983 0.779939 1 217 63.546 4.63224e-06 -3.54012 63.546000 Cu 0.709993 0.762462 0.5 218 63.546 8.18769e-07 -3.53979 63.546000 Cu 0.779995 0.764961 7.69678e-17 220 63.546 5.71412e-07 -3.53982 63.546000 Cu 0.769997 0.782442 0.5 223 63.546 5.09771e-06 -3.54028 63.546000 Cu 0.999991 0.754971 0 197 63.546 3.19283e-07 -3.53981 63.546000 Cu 0.929995 0.752474 0.5 199 63.546 2.14892e-07 -3.53987 63.546000 Cu 0.840002 0.784944 0 221 63.546 4.65009e-06 -3.5403 63.546000 Cu 0.849993 0.767459 0.5 222 63.546 9.1078e-07 -3.53981 63.546000 Cu 0.919985 0.769955 0 224 63.546 2.18787e-06 -3.53976 63.546000 Cu 0.979968 0.789935 5.99772e-17 225 63.546 6.35937e-06 -3.54005 63.546000 Cu 0.989974 0.772449 0.5 226 63.546 3.79349e-06 -3.53973 63.546000 Cu 0.90999 0.787442 0.5 227 63.546 4.11214e-06 -3.54019 63.546000 Cu 0.119944 0.794923 1 229 63.546 4.86261e-06 -3.5401 63.546000 Cu 0.0499477 0.792428 0.5 231 63.546 8.76377e-06 -3.54001 63.546000 Cu 0.0399482 0.809922 9.1857e-17 256 63.546 7.38755e-06 -3.54008 63.546000 Cu 0.0999145 0.829903 3.0679e-17 257 63.546 3.6737e-05 -3.53997 63.546000 Cu 0.109919 0.812409 0.5 258 63.546 2.11244e-05 -3.53991 63.546000 Cu 0.029971 0.827426 0.5 259 63.546 1.6188e-05 -3.54015 63.546000 Cu 0.259984 0.79993 2.86978e-17 233 63.546 1.06993e-05 -3.54042 63.546000 Cu 0.189957 0.797424 0.5 235 63.546 2.87937e-06 -3.54029 63.546000 Cu 0.330006 0.802437 0.5 237 63.546 2.2017e-05 -3.54043 63.546000 Cu 0.179918 0.814901 1.03564e-16 260 63.546 2.01189e-05 -3.53975 63.546000 Cu 0.24995 0.817402 0.5 262 63.546 8.16362e-06 -3.53962 63.546000 Cu 0.169893 0.832376 0.5 263 63.546 6.80872e-05 -3.53969 63.546000 Cu 0.319994 0.819911 1 264 63.546 1.77873e-05 -3.53967 63.546000 Cu 0.400009 0.804939 6.39997e-17 238 63.546 1.83135e-05 -3.54033 63.546000 Cu 0.469984 0.807434 0.5 243 63.546 3.424e-06 -3.54021 63.546000 Cu 0.390026 0.822425 0.5 267 63.546 4.55675e-05 -3.53985 63.546000 Cu 0.460015 0.824933 0 268 63.546 4.04825e-05 -3.54009 63.546000 Cu 0.539948 0.809922 2.79774e-17 241 63.546 7.38755e-06 -3.54008 63.546000 Cu 0.549948 0.792428 0.5 242 63.546 8.76377e-06 -3.54001 63.546000 Cu 0.619944 0.794923 0 244 63.546 4.86261e-06 -3.5401 63.546000 Cu 0.609919 0.812409 0.5 247 63.546 2.11244e-05 -3.53991 63.546000 Cu 0.529971 0.827426 0.5 270 63.546 1.6188e-05 -3.54015 63.546000 Cu 0.599915 0.829903 1 272 63.546 3.6737e-05 -3.53997 63.546000 Cu 0.679918 0.814901 1.14071e-17 245 63.546 2.01189e-05 -3.53975 63.546000 Cu 0.689957 0.797424 0.5 246 63.546 2.87937e-06 -3.54029 63.546000 Cu 0.759984 0.79993 1 248 63.546 1.06993e-05 -3.54042 63.546000 Cu 0.819994 0.819911 4.20261e-19 249 63.546 1.77873e-05 -3.53967 63.546000 Cu 0.830006 0.802437 0.5 250 63.546 2.2017e-05 -3.54043 63.546000 Cu 0.74995 0.817402 0.5 251 63.546 8.16362e-06 -3.53962 63.546000 Cu 0.669893 0.832376 0.5 274 63.546 6.80872e-05 -3.53969 63.546000 Cu 0.900009 0.804939 7.0904e-17 252 63.546 1.83135e-05 -3.54033 63.546000 Cu 0.960015 0.824933 1.80112e-19 253 63.546 4.04825e-05 -3.54009 63.546000 Cu 0.969984 0.807434 0.5 254 63.546 3.424e-06 -3.54021 63.546000 Cu 0.890026 0.822425 0.5 255 63.546 4.55675e-05 -3.53985 63.546000 Cu 0.0200348 0.844928 1 284 63.546 9.67456e-05 -3.54032 63.546000 Cu 0.0801887 0.86491 3.12794e-17 285 63.546 0.000191691 -3.54033 63.546000 Cu 0.0900081 0.847407 0.5 286 63.546 2.69393e-05 -3.54001 63.546000 Cu 0.0101533 0.862411 0.5 287 63.546 0.000278325 -3.54065 63.546000 Cu 0.159938 0.849868 1 288 63.546 7.8656e-05 -3.53966 63.546000 Cu 0.15007 0.867386 0.5 291 63.546 7.9043e-05 -3.53959 63.546000 Cu 0.239904 0.83486 0 261 63.546 7.15702e-05 -3.53964 63.546000 Cu 0.309954 0.837368 0.5 265 63.546 3.13848e-05 -3.53982 63.546000 Cu 0.219855 0.869844 1 289 63.546 0.000230045 -3.53914 63.546000 Cu 0.229865 0.852337 0.5 290 63.546 0.00017184 -3.53962 63.546000 Cu 0.299832 0.854832 7.24049e-17 292 63.546 0.000110441 -3.53979 63.546000 Cu 0.289697 0.872302 0.5 293 63.546 0.000498214 -3.5392 63.546000 Cu 0.379997 0.839894 0 266 63.546 3.37026e-05 -3.54018 63.546000 Cu 0.450031 0.842421 0.5 271 63.546 0.000101004 -3.54043 63.546000 Cu 0.359731 0.874785 1.22416e-16 294 63.546 0.000355998 -3.53984 63.546000 Cu 0.369884 0.857352 0.5 295 63.546 6.13058e-05 -3.54029 63.546000 Cu 0.440027 0.859887 0 296 63.546 0.000186505 -3.54061 63.546000 Cu 0.520035 0.844928 4.25064e-17 269 63.546 9.67456e-05 -3.54032 63.546000 Cu 0.659938 0.849868 1 273 63.546 7.8656e-05 -3.53966 63.546000 Cu 0.590008 0.847407 0.5 275 63.546 2.69393e-05 -3.54001 63.546000 Cu 0.510153 0.862411 0.5 298 63.546 0.000278325 -3.54065 63.546000 Cu 0.580189 0.86491 0 300 63.546 0.000191691 -3.54033 63.546000 Cu 0.65007 0.867386 0.5 302 63.546 7.9043e-05 -3.53959 63.546000 Cu 0.739904 0.83486 1 276 63.546 7.15702e-05 -3.53964 63.546000 Cu 0.799832 0.854832 1 277 63.546 0.000110441 -3.53979 63.546000 Cu 0.809954 0.837368 0.5 278 63.546 3.13848e-05 -3.53982 63.546000 Cu 0.729865 0.852337 0.5 279 63.546 0.00017184 -3.53962 63.546000 Cu 0.719855 0.869844 3.00186e-19 304 63.546 0.000230045 -3.53914 63.546000 Cu 0.789697 0.872302 0.5 306 63.546 0.000498214 -3.5392 63.546000 Cu 0.879997 0.839894 1 280 63.546 3.37026e-05 -3.54018 63.546000 Cu 0.940027 0.859887 0 281 63.546 0.000186505 -3.54061 63.546000 Cu 0.950031 0.842421 0.5 282 63.546 0.000101004 -3.54043 63.546000 Cu 0.869884 0.857352 0.5 283 63.546 6.13058e-05 -3.54029 63.546000 Cu 0.859731 0.874785 1 308 63.546 0.000355998 -3.53984 63.546000 Cu 0.0604796 0.899858 7.52267e-17 313 63.546 0.00150209 -3.54026 63.546000 Cu 0.0703843 0.882409 0.5 314 63.546 0.000833215 -3.54056 63.546000 Cu 0.140272 0.88493 3.51818e-17 316 63.546 0.000435686 -3.53976 63.546000 Cu 0.130502 0.902482 0.5 319 63.546 0.00222076 -3.54075 63.546000 Cu 0.000243674 0.879853 0 312 63.546 0.0004413 -3.54063 63.546000 Cu 0.200229 0.904996 1.25238e-16 317 63.546 0.00117755 -3.54059 63.546000 Cu 0.209974 0.887395 0.5 318 63.546 0.00017961 -3.53907 63.546000 Cu 0.279686 0.889812 0 320 63.546 0.00080887 -3.53894 63.546000 Cu 0.269916 0.907368 0.5 323 63.546 0.00113809 -3.53988 63.546000 Cu 0.42996 0.877303 0.5 299 63.546 0.000110286 -3.54037 63.546000 Cu 0.339759 0.90968 5.90767e-17 321 63.546 0.00224459 -3.538 63.546000 Cu 0.349603 0.892217 0.5 322 63.546 0.0013232 -3.53952 63.546000 Cu 0.419831 0.894677 0 324 63.546 0.000631582 -3.53974 63.546000 Cu 0.47996 0.914563 6.96432e-18 325 63.546 0.00229862 -3.5367 63.546000 Cu 0.490193 0.897232 0.5 326 63.546 0.000359649 -3.53966 63.546000 Cu 0.409803 0.912047 0.5 327 63.546 0.00290939 -3.53719 63.546000 Cu 0.500244 0.879853 1.53095e-17 297 63.546 0.0004413 -3.54063 63.546000 Cu 0.640272 0.88493 1.68705e-17 301 63.546 0.000435686 -3.53976 63.546000 Cu 0.570384 0.882409 0.5 303 63.546 0.000833215 -3.54056 63.546000 Cu 0.56048 0.899858 0 328 63.546 0.00150209 -3.54026 63.546000 Cu 0.630502 0.902482 0.5 330 63.546 0.00222076 -3.54075 63.546000 Cu 0.779686 0.889812 6.6041e-18 305 63.546 0.00080887 -3.53894 63.546000 Cu 0.709974 0.887395 0.5 307 63.546 0.00017961 -3.53907 63.546000 Cu 0.700229 0.904996 1.57898e-17 332 63.546 0.00117755 -3.54059 63.546000 Cu 0.769916 0.907368 0.5 334 63.546 0.00113809 -3.53988 63.546000 Cu 0.919831 0.894677 9.54592e-17 309 63.546 0.000631582 -3.53974 63.546000 Cu 0.92996 0.877303 0.5 310 63.546 0.000110286 -3.54037 63.546000 Cu 0.849603 0.892217 0.5 311 63.546 0.0013232 -3.53952 63.546000 Cu 0.990193 0.897232 0.5 315 63.546 0.000359649 -3.53966 63.546000 Cu 0.839759 0.90968 1.05786e-16 336 63.546 0.00224459 -3.538 63.546000 Cu 0.909803 0.912047 0.5 338 63.546 0.00290939 -3.53719 63.546000 Cu 0.97996 0.914563 5.09716e-17 340 63.546 0.00229862 -3.5367 63.546000 Cu 0.0390546 0.934582 0 341 63.546 0.0044067 -3.53512 63.546000 Cu 0.0501443 0.917245 0.5 342 63.546 0.00122258 -3.5387 63.546000 Cu 0.120382 0.919982 0 344 63.546 0.00468607 -3.54226 63.546000 Cu 0.109618 0.93734 0.5 347 63.546 0.0105739 -3.54335 63.546000 Cu 0.0271372 0.952008 0.5 370 63.546 0.0374026 -3.5386 63.546000 Cu 0.0983353 0.954413 1.06866e-17 372 63.546 0.0283624 -3.53789 63.546000 Cu 0.181041 0.940023 0 345 63.546 0.0183592 -3.54385 63.546000 Cu 0.190606 0.922603 0.5 346 63.546 0.00831157 -3.54373 63.546000 Cu 0.260679 0.924979 0 348 63.546 0.00277979 -3.54115 63.546000 Cu 0.321956 0.944919 2.30543e-17 349 63.546 0.0183135 -3.53388 63.546000 Cu 0.330474 0.927212 0.5 350 63.546 0.00340477 -3.53546 63.546000 Cu 0.252258 0.942565 0.5 351 63.546 0.0179963 -3.54099 63.546000 Cu 0.171725 0.95707 0.5 374 63.546 0.0236474 -3.5359 63.546000 Cu 0.399907 0.929487 0 352 63.546 0.0113607 -3.53085 63.546000 Cu 0.458211 0.94955 0 353 63.546 0.0398195 -3.52488 63.546000 Cu 0.4694 0.931946 0.5 354 63.546 0.0103565 -3.53092 63.546000 Cu 0.390385 0.947233 0.5 355 63.546 0.0348671 -3.52272 63.546000 Cu 0.620382 0.919982 1 329 63.546 0.00468607 -3.54226 63.546000 Cu 0.550144 0.917245 0.5 331 63.546 0.00122258 -3.5387 63.546000 Cu 0.539055 0.934582 1 356 63.546 0.0044067 -3.53512 63.546000 Cu 0.598335 0.954413 1.08908e-16 357 63.546 0.0283624 -3.53789 63.546000 Cu 0.609618 0.93734 0.5 358 63.546 0.0105739 -3.54335 63.546000 Cu 0.527137 0.952008 0.5 359 63.546 0.0374026 -3.5386 63.546000 Cu 0.760679 0.924979 2.82175e-18 333 63.546 0.00277979 -3.54115 63.546000 Cu 0.690606 0.922603 0.5 335 63.546 0.00831157 -3.54373 63.546000 Cu 0.830474 0.927212 0.5 339 63.546 0.00340477 -3.53546 63.546000 Cu 0.681041 0.940023 1 360 63.546 0.0183592 -3.54385 63.546000 Cu 0.752258 0.942565 0.5 362 63.546 0.0179963 -3.54099 63.546000 Cu 0.671725 0.95707 0.5 363 63.546 0.0236474 -3.5359 63.546000 Cu 0.821956 0.944919 0 364 63.546 0.0183135 -3.53388 63.546000 Cu 0.899907 0.929487 3.84238e-18 337 63.546 0.0113607 -3.53085 63.546000 Cu 0.9694 0.931946 0.5 343 63.546 0.0103565 -3.53092 63.546000 Cu 0.890385 0.947233 0.5 366 63.546 0.0348671 -3.52272 63.546000 Cu 0.958211 0.94955 4.55683e-17 368 63.546 0.0398195 -3.52488 63.546000 Cu 0.0149301 0.969423 9.06563e-18 369 63.546 0.148412 -3.52197 63.546000 Cu 0.161573 0.973573 1.31061e-16 373 63.546 0.0655968 -3.51515 63.546000 Cu 0.0878609 0.971322 0.5 375 63.546 0.0660601 -3.53854 63.546000 Cu 0.005868 0.987257 0.5 397 63.546 0.160035 -3.52709 63.546000 Cu 0.0768285 0.987774 2.70168e-18 398 63.546 0.374218 -3.50108 63.546000 Cu 0.154274 0.989964 0.5 399 63.546 4.64967 -3.45794 63.546000 Cu 0.244234 0.959992 0 376 63.546 0.0790504 -3.53965 63.546000 Cu 0.305866 0.981625 3.00186e-19 377 63.546 1.21864 -3.41212 63.546000 Cu 0.314428 0.962992 0.5 378 63.546 0.165503 -3.5063 63.546000 Cu 0.236605 0.97712 0.5 379 63.546 1.07902 -3.45297 63.546000 Cu 0.225938 0.99369 4.95307e-17 400 63.546 9.37435 -3.32973 63.546000 Cu 0.38078 0.965663 1.74108e-17 380 63.546 0.0885872 -3.50428 63.546000 Cu 0.435942 0.986618 1 381 63.546 0.198541 -3.52202 63.546000 Cu 0.446205 0.967958 0.5 382 63.546 0.10494 -3.52751 63.546000 Cu 0.367943 0.985745 0.5 383 63.546 0.539294 -3.4724 63.546000 Cu 0.51493 0.969423 0 384 63.546 0.148412 -3.52197 63.546000 Cu 0.576828 0.987774 1.11309e-16 385 63.546 0.374218 -3.50108 63.546000 Cu 0.587861 0.971322 0.5 386 63.546 0.0660601 -3.53854 63.546000 Cu 0.505868 0.987257 0.5 387 63.546 0.160035 -3.52709 63.546000 Cu 0.661573 0.973573 2.10671e-16 388 63.546 0.0655968 -3.51515 63.546000 Cu 0.654274 0.989964 0.5 391 63.546 4.64967 -3.45794 63.546000 Cu 0.744234 0.959992 2.30543e-17 361 63.546 0.0790504 -3.53965 63.546000 Cu 0.814428 0.962992 0.5 367 63.546 0.165503 -3.5063 63.546000 Cu 0.725938 0.99369 3.18197e-17 389 63.546 9.37435 -3.32973 63.546000 Cu 0.736605 0.97712 0.5 390 63.546 1.07902 -3.45297 63.546000 Cu 0.805866 0.981625 1.606e-16 392 63.546 1.21864 -3.41212 63.546000 Cu 0.88078 0.965663 8.33317e-17 365 63.546 0.0885872 -3.50428 63.546000 Cu 0.946205 0.967958 0.5 371 63.546 0.10494 -3.52751 63.546000 Cu 0.867943 0.985745 0.5 394 63.546 0.539294 -3.4724 63.546000 Cu 0.935942 0.986618 4.98309e-18 396 63.546 0.198541 -3.52202