Number of particles = 848 A = 1 Angstrom (basic length-scale) H0(1,1) = 26.3177 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 106.295 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60525 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 0.0706375 0.0164706 1 426 63.546 8.41414 -3.24997 63.546000 Cu 0.0885287 0.00189303 0.5 429 63.546 2.98923 -3.48896 63.546000 Cu 0.0149746 0.034435 5.774e-17 430 63.546 0.711132 -3.47852 63.546000 Cu 0.0875268 0.0310927 0.5 432 63.546 2.86552 -3.48537 63.546000 Cu 0.15504 0.0274636 7.98736e-17 434 63.546 9.13009 -3.31584 63.546000 Cu 0.155925 0.00551149 4.81166e-19 428 63.546 9.22998 -3.31683 63.546000 Cu 0.21208 0.0166179 0.5 436 63.546 9.11045 -3.62004 63.546000 Cu 0.281979 0.0164773 1.01286e-16 438 63.546 9.69215 -3.34009 63.546000 Cu 0.303554 0.0316581 0.5 441 63.546 2.43815 -3.48755 63.546000 Cu 0.304729 0.00143033 0.5 440 63.546 2.6292 -3.49049 63.546000 Cu 0.369288 0.0276603 5.6537e-17 439 63.546 8.8893 -3.334 63.546000 Cu 0.370865 0.00539839 1.22216e-16 442 63.546 7.00744 -3.33846 63.546000 Cu 0.427972 0.016844 0.5 445 63.546 9.57549 -3.57484 63.546000 Cu 0.498637 0.0164019 0 443 63.546 5.33632 -3.52945 63.546000 Cu 0.588529 0.00189303 1 446 63.546 2.98923 -3.48896 63.546000 Cu 0.570637 0.0164706 0.5 447 63.546 8.41414 -3.24997 63.546000 Cu 0.514975 0.034435 0.5 465 63.546 0.711132 -3.47852 63.546000 Cu 0.587527 0.0310927 1 467 63.546 2.86552 -3.48537 63.546000 Cu 0.65504 0.0274636 0.5 469 63.546 9.13009 -3.31584 63.546000 Cu 0.655925 0.00551149 0.5 448 63.546 9.22998 -3.31683 63.546000 Cu 0.71208 0.0166179 4.81166e-19 471 63.546 9.11045 -3.62004 63.546000 Cu 0.803554 0.0316581 1 472 63.546 2.43815 -3.48755 63.546000 Cu 0.781979 0.0164773 0.5 473 63.546 9.69215 -3.34009 63.546000 Cu 0.804729 0.00143033 1 475 63.546 2.6292 -3.49049 63.546000 Cu 0.998637 0.0164019 0.5 427 63.546 5.33632 -3.52945 63.546000 Cu 0.927972 0.016844 0 476 63.546 9.57549 -3.57484 63.546000 Cu 0.870865 0.00539839 0.5 477 63.546 7.00744 -3.33846 63.546000 Cu 0.869288 0.0276603 0.5 478 63.546 8.8893 -3.334 63.546000 Cu 0.103135 0.0473249 1.10668e-17 431 63.546 0.144092 -3.51935 63.546000 Cu 0.0367993 0.0512516 0.5 433 63.546 0.0745735 -3.54071 63.546000 Cu 0.056562 0.0678825 9.62333e-19 451 63.546 0.0172023 -3.52739 63.546000 Cu 0.123417 0.0631352 0.5 453 63.546 0.0182972 -3.54381 63.546000 Cu 0.23908 0.0371185 3.19976e-17 435 63.546 0.541485 -3.46477 63.546000 Cu 0.174061 0.0424215 0.5 437 63.546 0.495896 -3.4721 63.546000 Cu 0.190628 0.0584914 7.33779e-17 455 63.546 0.015569 -3.53815 63.546000 Cu 0.275785 0.0698839 1.21976e-16 456 63.546 0.00306531 -3.53574 63.546000 Cu 0.258228 0.0535103 0.5 457 63.546 0.0313584 -3.52371 63.546000 Cu 0.323362 0.0487954 1.21494e-16 459 63.546 0.0410986 -3.51667 63.546000 Cu 0.407861 0.0601233 1.20773e-16 460 63.546 0.0293329 -3.53978 63.546000 Cu 0.389561 0.0432629 0.5 461 63.546 0.369017 -3.48451 63.546000 Cu 0.342577 0.0649777 0.5 462 63.546 0.0162919 -3.53547 63.546000 Cu 0.453001 0.0378634 3.53657e-17 463 63.546 0.499836 -3.45551 63.546000 Cu 0.471951 0.0556521 0.5 466 63.546 0.036909 -3.51032 63.546000 Cu 0.491208 0.0723707 1.68408e-18 494 63.546 0.00729995 -3.53119 63.546000 Cu 0.536799 0.0512516 7.21749e-19 464 63.546 0.0745735 -3.54071 63.546000 Cu 0.603135 0.0473249 0.5 470 63.546 0.144092 -3.51935 63.546000 Cu 0.556562 0.0678825 0.5 496 63.546 0.0172023 -3.52739 63.546000 Cu 0.623417 0.0631352 1 498 63.546 0.0182972 -3.54381 63.546000 Cu 0.73908 0.0371185 0.5 474 63.546 0.541485 -3.46477 63.546000 Cu 0.674061 0.0424215 1 468 63.546 0.495896 -3.4721 63.546000 Cu 0.690628 0.0584914 0.5 500 63.546 0.015569 -3.53815 63.546000 Cu 0.758228 0.0535103 1 502 63.546 0.0313584 -3.52371 63.546000 Cu 0.823362 0.0487954 0.5 504 63.546 0.0410986 -3.51667 63.546000 Cu 0.775785 0.0698839 0.5 505 63.546 0.00306531 -3.53574 63.546000 Cu 0.991208 0.0723707 0.5 450 63.546 0.00729995 -3.53119 63.546000 Cu 0.842577 0.0649777 1 503 63.546 0.0162919 -3.53547 63.546000 Cu 0.889561 0.0432629 1 506 63.546 0.369017 -3.48451 63.546000 Cu 0.971951 0.0556521 1 507 63.546 0.036909 -3.51032 63.546000 Cu 0.953001 0.0378634 0.5 508 63.546 0.499836 -3.45551 63.546000 Cu 0.907861 0.0601233 0.5 509 63.546 0.0293329 -3.53978 63.546000 Cu 0.0102022 0.0888419 2.26148e-17 449 63.546 0.00306495 -3.53399 63.546000 Cu 0.142426 0.0793716 4.98007e-17 452 63.546 0.00191371 -3.54007 63.546000 Cu 0.076196 0.0841262 0.5 454 63.546 0.00126383 -3.53812 63.546000 Cu 0.0291558 0.105159 0.5 480 63.546 0.000528441 -3.53893 63.546000 Cu 0.0952881 0.100431 1 482 63.546 0.000195315 -3.5392 63.546000 Cu 0.161449 0.0956571 0.5 484 63.546 0.000573657 -3.54082 63.546000 Cu 0.20921 0.0745903 0.5 458 63.546 0.00304903 -3.54063 63.546000 Cu 0.227705 0.0909144 2.43951e-16 486 63.546 0.00092429 -3.54058 63.546000 Cu 0.312441 0.102592 1.21013e-16 487 63.546 0.0007247 -3.5418 63.546000 Cu 0.294188 0.0861598 0.5 488 63.546 0.00223452 -3.54273 63.546000 Cu 0.246354 0.107284 0.5 489 63.546 0.00052032 -3.54111 63.546000 Cu 0.360327 0.0814678 2.6392e-16 490 63.546 0.0036114 -3.54202 63.546000 Cu 0.444388 0.0934282 1 491 63.546 0.00156957 -3.53735 63.546000 Cu 0.425924 0.0769339 0.5 492 63.546 0.00522448 -3.53398 63.546000 Cu 0.378467 0.0979966 0.5 493 63.546 0.000437285 -3.53955 63.546000 Cu 0.462995 0.10982 0.5 524 63.546 0.00058021 -3.53818 63.546000 Cu 0.576196 0.0841262 1 495 63.546 0.00126383 -3.53812 63.546000 Cu 0.510202 0.0888419 0.5 497 63.546 0.00306495 -3.53399 63.546000 Cu 0.642426 0.0793716 0.5 501 63.546 0.00191371 -3.54007 63.546000 Cu 0.529156 0.105159 1 526 63.546 0.000528441 -3.53893 63.546000 Cu 0.595288 0.100431 0.5 528 63.546 0.000195315 -3.5392 63.546000 Cu 0.661449 0.0956571 2.3096e-17 530 63.546 0.000573657 -3.54082 63.546000 Cu 0.70921 0.0745903 1 499 63.546 0.00304903 -3.54063 63.546000 Cu 0.746354 0.107284 1 531 63.546 0.00052032 -3.54111 63.546000 Cu 0.727705 0.0909144 0.5 532 63.546 0.00092429 -3.54058 63.546000 Cu 0.794188 0.0861598 9.62333e-19 534 63.546 0.00223452 -3.54273 63.546000 Cu 0.812441 0.102592 0.5 537 63.546 0.0007247 -3.5418 63.546000 Cu 0.878467 0.0979966 1 535 63.546 0.000437285 -3.53955 63.546000 Cu 0.860327 0.0814678 0.5 536 63.546 0.0036114 -3.54202 63.546000 Cu 0.925924 0.0769339 9.14216e-17 538 63.546 0.00522448 -3.53398 63.546000 Cu 0.944388 0.0934282 0.5 539 63.546 0.00156957 -3.53735 63.546000 Cu 0.962995 0.10982 4.95601e-17 569 63.546 0.00058021 -3.53818 63.546000 Cu 0.0479011 0.121479 4.21021e-17 479 63.546 5.46149e-05 -3.53991 63.546000 Cu 0.114134 0.116757 0.5 485 63.546 0.000203968 -3.5401 63.546000 Cu 0.000473346 0.14252 1 510 63.546 6.69192e-05 -3.54013 63.546000 Cu 0.0666117 0.137822 0.5 512 63.546 8.17903e-05 -3.54022 63.546000 Cu 0.132776 0.133117 1 514 63.546 7.26689e-05 -3.54036 63.546000 Cu 0.180273 0.112023 2.40583e-19 483 63.546 0.000236753 -3.53989 63.546000 Cu 0.217542 0.144811 1.12833e-16 515 63.546 5.91139e-05 -3.54022 63.546000 Cu 0.198916 0.128411 0.5 516 63.546 8.50368e-05 -3.54019 63.546000 Cu 0.264945 0.12371 1.21013e-16 518 63.546 0.000105981 -3.54017 63.546000 Cu 0.330917 0.119046 0.5 520 63.546 0.000176292 -3.53976 63.546000 Cu 0.283589 0.140128 0.5 521 63.546 5.67301e-05 -3.53949 63.546000 Cu 0.349587 0.135467 1.20773e-16 519 63.546 6.93927e-05 -3.53925 63.546000 Cu 0.39691 0.114426 1.21013e-16 522 63.546 0.000335908 -3.53895 63.546000 Cu 0.481686 0.126162 1 523 63.546 0.000172588 -3.53967 63.546000 Cu 0.415591 0.130817 0.5 525 63.546 0.000169493 -3.53919 63.546000 Cu 0.434391 0.147201 5.6537e-17 553 63.546 7.54517e-05 -3.53979 63.546000 Cu 0.614134 0.116757 0 527 63.546 0.000203968 -3.5401 63.546000 Cu 0.547901 0.121479 0.5 529 63.546 5.46149e-05 -3.53991 63.546000 Cu 0.500473 0.14252 0.5 555 63.546 6.69192e-05 -3.54013 63.546000 Cu 0.566612 0.137822 1.07781e-16 557 63.546 8.17903e-05 -3.54022 63.546000 Cu 0.632776 0.133117 0.5 559 63.546 7.26689e-05 -3.54036 63.546000 Cu 0.680273 0.112023 0.5 533 63.546 0.000236753 -3.53989 63.546000 Cu 0.698916 0.128411 5.6537e-17 561 63.546 8.50368e-05 -3.54019 63.546000 Cu 0.783589 0.140128 1.69371e-16 562 63.546 5.67301e-05 -3.53949 63.546000 Cu 0.764945 0.12371 0.5 563 63.546 0.000105981 -3.54017 63.546000 Cu 0.717542 0.144811 0.5 564 63.546 5.91139e-05 -3.54022 63.546000 Cu 0.830917 0.119046 2.62236e-17 565 63.546 0.000176292 -3.53976 63.546000 Cu 0.981686 0.126162 0.5 481 63.546 0.000172588 -3.53967 63.546000 Cu 0.915591 0.130817 4.08991e-17 566 63.546 0.000169493 -3.53919 63.546000 Cu 0.89691 0.114426 0.5 567 63.546 0.000335908 -3.53895 63.546000 Cu 0.849587 0.135467 0.5 568 63.546 6.93927e-05 -3.53925 63.546000 Cu 0.934391 0.147201 0.5 598 63.546 7.54517e-05 -3.53979 63.546000 Cu 0.085359 0.154199 1 511 63.546 7.20981e-05 -3.54026 63.546000 Cu 0.0193231 0.158892 0.5 513 63.546 2.01312e-05 -3.54005 63.546000 Cu 0.151443 0.149508 0.5 517 63.546 7.99931e-05 -3.54064 63.546000 Cu 0.038177 0.175282 1 541 63.546 9.62946e-06 -3.54012 63.546000 Cu 0.104221 0.170593 0.5 543 63.546 1.35418e-05 -3.54016 63.546000 Cu 0.170259 0.165899 2.3096e-17 545 63.546 2.87514e-05 -3.54021 63.546000 Cu 0.255185 0.177604 7.0972e-17 546 63.546 8.97281e-06 -3.54017 63.546000 Cu 0.23632 0.161205 0.5 547 63.546 3.33846e-05 -3.54006 63.546000 Cu 0.189162 0.182288 0.5 548 63.546 8.01597e-06 -3.54 63.546000 Cu 0.302348 0.156527 1.04894e-16 549 63.546 3.463e-05 -3.53983 63.546000 Cu 0.321205 0.172929 0.5 552 63.546 8.24089e-06 -3.54025 63.546000 Cu 0.387244 0.168259 1 550 63.546 1.24076e-05 -3.53994 63.546000 Cu 0.368375 0.151863 0.5 551 63.546 2.69142e-05 -3.53963 63.546000 Cu 0.453271 0.163581 0.5 556 63.546 9.0127e-06 -3.53985 63.546000 Cu 0.406113 0.184648 0.5 582 63.546 6.39541e-06 -3.53984 63.546000 Cu 0.472159 0.179965 0 584 63.546 3.13619e-06 -3.54011 63.546000 Cu 0.519323 0.158892 4.42673e-17 554 63.546 2.01312e-05 -3.54005 63.546000 Cu 0.651443 0.149508 1.39538e-17 558 63.546 7.99931e-05 -3.54064 63.546000 Cu 0.585359 0.154199 0.5 560 63.546 7.20981e-05 -3.54026 63.546000 Cu 0.538177 0.175282 0.5 586 63.546 9.62946e-06 -3.54012 63.546000 Cu 0.604221 0.170593 2.76671e-17 588 63.546 1.35418e-05 -3.54016 63.546000 Cu 0.689162 0.182288 3.65686e-17 589 63.546 8.01597e-06 -3.54 63.546000 Cu 0.670259 0.165899 0.5 590 63.546 2.87514e-05 -3.54021 63.546000 Cu 0.73632 0.161205 3.56063e-17 592 63.546 3.33846e-05 -3.54006 63.546000 Cu 0.821205 0.172929 3.00729e-17 593 63.546 8.24089e-06 -3.54025 63.546000 Cu 0.802348 0.156527 0.5 594 63.546 3.463e-05 -3.53983 63.546000 Cu 0.755185 0.177604 0.5 595 63.546 8.97281e-06 -3.54017 63.546000 Cu 0.868375 0.151863 2.07142e-16 596 63.546 2.69142e-05 -3.53963 63.546000 Cu 0.953271 0.163581 8.87752e-17 597 63.546 9.0127e-06 -3.53985 63.546000 Cu 0.887244 0.168259 0.5 599 63.546 1.24076e-05 -3.53994 63.546000 Cu 0.906113 0.184648 5.6537e-17 628 63.546 6.39541e-06 -3.53984 63.546000 Cu 0.972159 0.179965 0.5 629 63.546 3.13619e-06 -3.54011 63.546000 Cu 0.123128 0.186978 1 542 63.546 2.89944e-06 -3.53973 63.546000 Cu 0.0570862 0.191669 0.5 544 63.546 3.63635e-06 -3.53977 63.546000 Cu 0.00992559 0.21274 0.5 571 63.546 3.1018e-06 -3.54007 63.546000 Cu 0.0760033 0.208046 1.80919e-16 572 63.546 3.29674e-05 -3.53988 63.546000 Cu 0.160904 0.219759 8.51664e-17 573 63.546 1.85793e-05 -3.54032 63.546000 Cu 0.142016 0.203364 0.5 574 63.546 8.45334e-06 -3.53998 63.546000 Cu 0.20807 0.198682 2.40583e-19 576 63.546 1.41324e-05 -3.5401 63.546000 Cu 0.292948 0.210404 7.21749e-19 577 63.546 5.64282e-06 -3.54008 63.546000 Cu 0.274075 0.194005 0.5 578 63.546 2.31549e-06 -3.54008 63.546000 Cu 0.226939 0.21508 0.5 579 63.546 1.95269e-05 -3.54019 63.546000 Cu 0.340115 0.189327 0 580 63.546 1.03057e-05 -3.53998 63.546000 Cu 0.424995 0.201042 1 581 63.546 7.2467e-06 -3.54015 63.546000 Cu 0.358975 0.205722 0.5 583 63.546 4.14802e-06 -3.54015 63.546000 Cu 0.491037 0.196357 0.5 587 63.546 8.66848e-06 -3.54019 63.546000 Cu 0.377807 0.22212 1 612 63.546 3.43043e-05 -3.53988 63.546000 Cu 0.443876 0.21743 0.5 614 63.546 1.23953e-05 -3.54004 63.546000 Cu 0.557086 0.191669 1 585 63.546 3.63635e-06 -3.53977 63.546000 Cu 0.623128 0.186978 0.5 591 63.546 2.89944e-06 -3.53973 63.546000 Cu 0.509926 0.21274 1 616 63.546 3.1018e-06 -3.54007 63.546000 Cu 0.576003 0.208046 0.5 618 63.546 3.29674e-05 -3.53988 63.546000 Cu 0.642016 0.203364 4.30644e-17 620 63.546 8.45334e-06 -3.53998 63.546000 Cu 0.660904 0.219759 0.5 623 63.546 1.85793e-05 -3.54032 63.546000 Cu 0.726939 0.21508 1 621 63.546 1.95269e-05 -3.54019 63.546000 Cu 0.70807 0.198682 0.5 622 63.546 1.41324e-05 -3.5401 63.546000 Cu 0.774075 0.194005 1 624 63.546 2.31549e-06 -3.54008 63.546000 Cu 0.792948 0.210404 0.5 627 63.546 5.64282e-06 -3.54008 63.546000 Cu 0.991037 0.196357 2.21337e-17 540 63.546 8.66848e-06 -3.54019 63.546000 Cu 0.858975 0.205722 1 625 63.546 4.14802e-06 -3.54015 63.546000 Cu 0.840115 0.189327 0.5 626 63.546 1.03057e-05 -3.53998 63.546000 Cu 0.924995 0.201042 0.5 630 63.546 7.2467e-06 -3.54015 63.546000 Cu 0.877807 0.22212 0.5 657 63.546 3.43043e-05 -3.53988 63.546000 Cu 0.943876 0.21743 1.21976e-16 659 63.546 1.23953e-05 -3.54004 63.546000 Cu 0.0287997 0.229121 1.94872e-17 570 63.546 1.75107e-05 -3.54029 63.546000 Cu 0.0948598 0.224439 0.5 575 63.546 1.87466e-05 -3.54027 63.546000 Cu 0.0476153 0.245508 0.5 602 63.546 2.8674e-05 -3.54008 63.546000 Cu 0.113658 0.24083 0 604 63.546 1.35423e-05 -3.53993 63.546000 Cu 0.132392 0.257219 0.5 607 63.546 6.83342e-06 -3.5398 63.546000 Cu 0.198445 0.252538 2.45395e-17 605 63.546 3.87381e-06 -3.53976 63.546000 Cu 0.179709 0.236155 0.5 606 63.546 2.08689e-05 -3.53983 63.546000 Cu 0.245732 0.231477 4.21021e-17 608 63.546 1.71438e-05 -3.53984 63.546000 Cu 0.330577 0.243177 1 609 63.546 5.9471e-06 -3.53974 63.546000 Cu 0.311789 0.226798 0.5 610 63.546 2.47088e-05 -3.53977 63.546000 Cu 0.264505 0.247859 0.5 611 63.546 5.8592e-06 -3.53984 63.546000 Cu 0.462721 0.233809 1 613 63.546 5.46933e-06 -3.54003 63.546000 Cu 0.396644 0.238495 0.5 615 63.546 3.31277e-06 -3.53966 63.546000 Cu 0.415471 0.254868 4.81166e-19 643 63.546 1.79458e-05 -3.53998 63.546000 Cu 0.481533 0.250187 0.5 645 63.546 1.25575e-05 -3.54006 63.546000 Cu 0.59486 0.224439 1 617 63.546 1.87466e-05 -3.54027 63.546000 Cu 0.5288 0.229121 0.5 619 63.546 1.75107e-05 -3.54029 63.546000 Cu 0.547615 0.245508 1 647 63.546 2.8674e-05 -3.54008 63.546000 Cu 0.632392 0.257219 5.6537e-17 648 63.546 6.83342e-06 -3.5398 63.546000 Cu 0.613658 0.24083 0.5 649 63.546 1.35423e-05 -3.53993 63.546000 Cu 0.679709 0.236155 1 651 63.546 2.08689e-05 -3.53983 63.546000 Cu 0.764505 0.247859 1 652 63.546 5.8592e-06 -3.53984 63.546000 Cu 0.745732 0.231477 0.5 653 63.546 1.71438e-05 -3.53984 63.546000 Cu 0.698445 0.252538 0.5 654 63.546 3.87381e-06 -3.53976 63.546000 Cu 0.811789 0.226798 1 655 63.546 2.47088e-05 -3.53977 63.546000 Cu 0.830577 0.243177 0.5 658 63.546 5.9471e-06 -3.53974 63.546000 Cu 0.981533 0.250187 1 600 63.546 1.25575e-05 -3.54006 63.546000 Cu 0.896644 0.238495 2.40583e-19 656 63.546 3.31277e-06 -3.53966 63.546000 Cu 0.962721 0.233809 0.5 660 63.546 5.46933e-06 -3.54003 63.546000 Cu 0.915471 0.254868 0.5 689 63.546 1.79458e-05 -3.53998 63.546000 Cu 0.0663465 0.261892 7.02503e-17 601 63.546 4.27947e-06 -3.53978 63.546000 Cu 0.000293265 0.266567 0.5 603 63.546 1.15387e-05 -3.53971 63.546000 Cu 0.0189903 0.282946 1.60469e-16 631 63.546 1.47292e-06 -3.53976 63.546000 Cu 0.103789 0.294647 0 632 63.546 8.2034e-06 -3.54021 63.546000 Cu 0.0850489 0.278274 0.5 633 63.546 1.01139e-05 -3.53989 63.546000 Cu 0.151132 0.273597 1 635 63.546 7.23841e-06 -3.53994 63.546000 Cu 0.235975 0.285287 9.62333e-19 636 63.546 5.17964e-06 -3.53981 63.546000 Cu 0.217196 0.268919 0.5 637 63.546 1.1195e-05 -3.54005 63.546000 Cu 0.169864 0.289968 0.5 638 63.546 1.30167e-05 -3.54006 63.546000 Cu 0.283281 0.264236 1 639 63.546 2.76608e-06 -3.54022 63.546000 Cu 0.30205 0.28061 0.5 642 63.546 9.02267e-06 -3.53986 63.546000 Cu 0.368148 0.275925 4.81166e-19 640 63.546 1.10586e-05 -3.54007 63.546000 Cu 0.349369 0.259553 0.5 641 63.546 2.24612e-06 -3.54029 63.546000 Cu 0.434224 0.271243 0.5 646 63.546 1.15977e-05 -3.53982 63.546000 Cu 0.386869 0.292299 0.5 673 63.546 3.68407e-06 -3.53987 63.546000 Cu 0.452934 0.287619 5.6537e-17 675 63.546 4.47928e-06 -3.53984 63.546000 Cu 0.500293 0.266567 1 644 63.546 1.15387e-05 -3.53971 63.546000 Cu 0.566347 0.261892 0.5 650 63.546 4.27947e-06 -3.53978 63.546000 Cu 0.51899 0.282946 0.5 677 63.546 1.47292e-06 -3.53976 63.546000 Cu 0.585049 0.278274 5.6537e-17 679 63.546 1.01139e-05 -3.53989 63.546000 Cu 0.651132 0.273597 0.5 681 63.546 7.23841e-06 -3.53994 63.546000 Cu 0.603789 0.294647 0.5 682 63.546 8.2034e-06 -3.54021 63.546000 Cu 0.669864 0.289968 1 680 63.546 1.30167e-05 -3.54006 63.546000 Cu 0.717196 0.268919 1.10187e-16 683 63.546 1.1195e-05 -3.54005 63.546000 Cu 0.80205 0.28061 1 684 63.546 9.02267e-06 -3.53986 63.546000 Cu 0.783281 0.264236 0.5 685 63.546 2.76608e-06 -3.54022 63.546000 Cu 0.735975 0.285287 0.5 686 63.546 5.17964e-06 -3.53981 63.546000 Cu 0.849369 0.259553 1 687 63.546 2.24612e-06 -3.54029 63.546000 Cu 0.934224 0.271243 3.48846e-17 688 63.546 1.15977e-05 -3.53982 63.546000 Cu 0.868148 0.275925 0.5 690 63.546 1.10586e-05 -3.54007 63.546000 Cu 0.886869 0.292299 1.21494e-16 718 63.546 3.68407e-06 -3.53987 63.546000 Cu 0.952934 0.287619 0.5 720 63.546 4.47928e-06 -3.53984 63.546000 Cu 0.0377009 0.299326 0.5 634 63.546 1.22656e-05 -3.54002 63.546000 Cu 0.0564501 0.315698 1 663 63.546 2.8752e-05 -3.53992 63.546000 Cu 0.141261 0.327369 1 664 63.546 9.66022e-06 -3.5396 63.546000 Cu 0.122527 0.311016 0.5 665 63.546 1.86462e-05 -3.54007 63.546000 Cu 0.0751615 0.332054 0.5 666 63.546 2.72947e-05 -3.53956 63.546000 Cu 0.188646 0.306327 4.81166e-19 667 63.546 1.23724e-05 -3.54003 63.546000 Cu 0.27345 0.318013 1.20292e-18 668 63.546 2.65662e-05 -3.53952 63.546000 Cu 0.254733 0.301651 0.5 669 63.546 1.09855e-05 -3.53956 63.546000 Cu 0.20739 0.322686 0.5 670 63.546 5.3558e-05 -3.53971 63.546000 Cu 0.320805 0.296974 1 671 63.546 1.11301e-05 -3.5396 63.546000 Cu 0.405571 0.308674 1.21976e-16 672 63.546 5.11344e-06 -3.54027 63.546000 Cu 0.339522 0.313349 0.5 674 63.546 1.64663e-05 -3.53979 63.546000 Cu 0.471659 0.303999 0.5 678 63.546 7.56908e-06 -3.54023 63.546000 Cu 0.358166 0.329727 1 702 63.546 1.19243e-05 -3.54002 63.546000 Cu 0.424259 0.325055 0.5 704 63.546 1.9839e-05 -3.54023 63.546000 Cu 0.490358 0.320375 9.62333e-17 706 63.546 2.26091e-05 -3.54015 63.546000 Cu 0.537701 0.299326 1.56379e-16 676 63.546 1.22656e-05 -3.54002 63.546000 Cu 0.575162 0.332054 4.81166e-19 707 63.546 2.72947e-05 -3.53956 63.546000 Cu 0.55645 0.315698 0.5 708 63.546 2.8752e-05 -3.53992 63.546000 Cu 0.622527 0.311016 1 710 63.546 1.86462e-05 -3.54007 63.546000 Cu 0.641261 0.327369 0.5 713 63.546 9.66022e-06 -3.5396 63.546000 Cu 0.70739 0.322686 1.20051e-16 711 63.546 5.3558e-05 -3.53971 63.546000 Cu 0.688646 0.306327 0.5 712 63.546 1.23724e-05 -3.54003 63.546000 Cu 0.754733 0.301651 0 714 63.546 1.09855e-05 -3.53956 63.546000 Cu 0.820805 0.296974 0.5 716 63.546 1.11301e-05 -3.5396 63.546000 Cu 0.77345 0.318013 0.5 717 63.546 2.65662e-05 -3.53952 63.546000 Cu 0.990358 0.320375 0.5 662 63.546 2.26091e-05 -3.54015 63.546000 Cu 0.839522 0.313349 1 715 63.546 1.64663e-05 -3.53979 63.546000 Cu 0.971659 0.303999 1.70814e-17 719 63.546 7.56908e-06 -3.54023 63.546000 Cu 0.905571 0.308674 0.5 721 63.546 5.11344e-06 -3.54027 63.546000 Cu 0.858166 0.329727 0.5 748 63.546 1.19243e-05 -3.54002 63.546000 Cu 0.924259 0.325055 9.76768e-17 750 63.546 1.9839e-05 -3.54023 63.546000 Cu 0.00899859 0.336741 1 661 63.546 3.04749e-05 -3.53967 63.546000 Cu 0.0463669 0.369439 5.6537e-17 691 63.546 1.82653e-05 -3.54009 63.546000 Cu 0.027668 0.353086 0.5 692 63.546 1.21703e-05 -3.53991 63.546000 Cu 0.0938099 0.3484 3.03135e-17 694 63.546 1.20887e-05 -3.53984 63.546000 Cu 0.15996 0.343718 0.5 696 63.546 6.13213e-05 -3.53972 63.546000 Cu 0.112499 0.364748 0.5 697 63.546 8.78958e-05 -3.53991 63.546000 Cu 0.178606 0.360087 1 695 63.546 8.30595e-05 -3.53966 63.546000 Cu 0.226047 0.339051 7.21749e-19 698 63.546 4.64053e-05 -3.53989 63.546000 Cu 0.31074 0.350784 1 699 63.546 3.60816e-05 -3.54008 63.546000 Cu 0.292119 0.334392 0.5 700 63.546 1.57768e-05 -3.53983 63.546000 Cu 0.244666 0.355436 0.5 701 63.546 2.04663e-05 -3.54005 63.546000 Cu 0.329296 0.367171 0.5 732 63.546 8.0648e-05 -3.54034 63.546000 Cu 0.442901 0.34142 1.3208e-16 703 63.546 1.85711e-05 -3.53995 63.546000 Cu 0.376775 0.346111 0.5 705 63.546 5.36081e-05 -3.54011 63.546000 Cu 0.39542 0.362483 1 734 63.546 5.32526e-05 -3.53999 63.546000 Cu 0.461519 0.357785 0.5 736 63.546 3.20172e-05 -3.53992 63.546000 Cu 0.508999 0.336741 0.5 709 63.546 3.04749e-05 -3.53967 63.546000 Cu 0.527668 0.353086 8.32418e-17 738 63.546 1.21703e-05 -3.53991 63.546000 Cu 0.612499 0.364748 1 739 63.546 8.78958e-05 -3.53991 63.546000 Cu 0.59381 0.3484 0.5 740 63.546 1.20887e-05 -3.53984 63.546000 Cu 0.546367 0.369439 0.5 741 63.546 1.82653e-05 -3.54009 63.546000 Cu 0.65996 0.343718 1.20051e-16 742 63.546 6.13213e-05 -3.53972 63.546000 Cu 0.744666 0.355436 1 743 63.546 2.04663e-05 -3.54005 63.546000 Cu 0.726047 0.339051 0.5 744 63.546 4.64053e-05 -3.53989 63.546000 Cu 0.678606 0.360087 0.5 745 63.546 8.30595e-05 -3.53966 63.546000 Cu 0.792119 0.334392 1 746 63.546 1.57768e-05 -3.53983 63.546000 Cu 0.81074 0.350784 0.5 749 63.546 3.60816e-05 -3.54008 63.546000 Cu 0.829296 0.367171 7.21749e-19 777 63.546 8.0648e-05 -3.54034 63.546000 Cu 0.876775 0.346111 1 747 63.546 5.36081e-05 -3.54011 63.546000 Cu 0.942901 0.34142 0.5 751 63.546 1.85711e-05 -3.53995 63.546000 Cu 0.89542 0.362483 0.5 779 63.546 5.32526e-05 -3.53999 63.546000 Cu 0.961519 0.357785 5.84617e-17 781 63.546 3.20172e-05 -3.53992 63.546000 Cu 0.083851 0.402135 9.19028e-17 723 63.546 0.000428233 -3.53939 63.546000 Cu 0.065113 0.385774 0.5 724 63.546 0.000160746 -3.53988 63.546000 Cu 0.131231 0.381116 9.62333e-17 726 63.546 0.000221097 -3.53945 63.546000 Cu 0.149861 0.397507 0.5 729 63.546 0.000220752 -3.53935 63.546000 Cu 0.0176835 0.406781 0.5 725 63.546 0.000325663 -3.53959 63.546000 Cu 0.215803 0.392887 1.21254e-16 727 63.546 5.29199e-05 -3.53941 63.546000 Cu 0.197209 0.376471 0.5 728 63.546 7.17973e-05 -3.5391 63.546000 Cu 0.26322 0.371836 4.69137e-17 730 63.546 5.02031e-05 -3.53995 63.546000 Cu 0.281773 0.388237 0.5 733 63.546 0.000199134 -3.54012 63.546000 Cu 0.300349 0.404631 5.6537e-17 761 63.546 0.000365256 -3.54047 63.546000 Cu 0.34787 0.383551 1 731 63.546 0.00018217 -3.54038 63.546000 Cu 0.480211 0.374131 4.81166e-19 735 63.546 1.8093e-05 -3.53991 63.546000 Cu 0.414038 0.378836 0.5 737 63.546 4.97925e-05 -3.54009 63.546000 Cu 0.366503 0.399899 0.5 763 63.546 0.00011533 -3.54037 63.546000 Cu 0.432722 0.395172 0 765 63.546 3.92315e-05 -3.54031 63.546000 Cu 0.498945 0.390468 0.5 767 63.546 3.90341e-05 -3.53991 63.546000 Cu 0.565113 0.385774 1 769 63.546 0.000160746 -3.53988 63.546000 Cu 0.649861 0.397507 1 770 63.546 0.000220752 -3.53935 63.546000 Cu 0.631231 0.381116 0.5 771 63.546 0.000221097 -3.53945 63.546000 Cu 0.583851 0.402135 0.5 772 63.546 0.000428233 -3.53939 63.546000 Cu 0.517684 0.406781 2.40583e-19 766 63.546 0.000325663 -3.53959 63.546000 Cu 0.697209 0.376471 3.27193e-17 773 63.546 7.17973e-05 -3.5391 63.546000 Cu 0.781773 0.388237 1.32321e-17 774 63.546 0.000199134 -3.54012 63.546000 Cu 0.76322 0.371836 0.5 775 63.546 5.02031e-05 -3.53995 63.546000 Cu 0.715803 0.392887 0.5 776 63.546 5.29199e-05 -3.53941 63.546000 Cu 0.800349 0.404631 0.5 806 63.546 0.000365256 -3.54047 63.546000 Cu 0.998945 0.390468 5.22065e-17 722 63.546 3.90341e-05 -3.53991 63.546000 Cu 0.980211 0.374131 0.5 693 63.546 1.8093e-05 -3.53991 63.546000 Cu 0.914038 0.378836 0 778 63.546 4.97925e-05 -3.54009 63.546000 Cu 0.84787 0.383551 0.5 780 63.546 0.00018217 -3.54038 63.546000 Cu 0.866503 0.399899 9.16622e-17 808 63.546 0.00011533 -3.54037 63.546000 Cu 0.932722 0.395172 0.5 810 63.546 3.92315e-05 -3.54031 63.546000 Cu 0.0364175 0.423112 6.37545e-17 753 63.546 0.001223 -3.53828 63.546000 Cu 0.120856 0.434985 1.43147e-16 754 63.546 0.000450954 -3.53944 63.546000 Cu 0.102441 0.418522 0.5 755 63.546 0.000626577 -3.53942 63.546000 Cu 0.0549583 0.439505 0.5 756 63.546 0.00215036 -3.53717 63.546000 Cu 0.168414 0.413948 1.56379e-17 757 63.546 0.000196035 -3.53979 63.546000 Cu 0.252821 0.425744 1.37373e-16 758 63.546 0.00100795 -3.54085 63.546000 Cu 0.23431 0.409324 0.5 759 63.546 0.000408145 -3.54028 63.546000 Cu 0.186769 0.430425 0.5 760 63.546 0.00122309 -3.54132 63.546000 Cu 0.318979 0.420997 0.5 764 63.546 0.000394077 -3.54024 63.546000 Cu 0.271476 0.442094 0.5 790 63.546 0.00104457 -3.54051 63.546000 Cu 0.385172 0.416234 1.78032e-17 762 63.546 0.000198326 -3.54029 63.546000 Cu 0.451435 0.411488 0.5 768 63.546 8.49004e-05 -3.53997 63.546000 Cu 0.337757 0.43733 5.6537e-17 792 63.546 0.000604503 -3.5407 63.546000 Cu 0.404018 0.432527 0.5 794 63.546 0.00017838 -3.53912 63.546000 Cu 0.470218 0.427776 4.81166e-19 796 63.546 0.00074686 -3.53898 63.546000 Cu 0.489152 0.444072 0.5 799 63.546 0.00430926 -3.53433 63.546000 Cu 0.554958 0.439505 7.40996e-17 797 63.546 0.00215036 -3.53717 63.546000 Cu 0.536418 0.423112 0.5 798 63.546 0.001223 -3.53828 63.546000 Cu 0.602441 0.418522 1 800 63.546 0.000626577 -3.53942 63.546000 Cu 0.620856 0.434985 0.5 803 63.546 0.000450954 -3.53944 63.546000 Cu 0.686769 0.430425 1 801 63.546 0.00122309 -3.54132 63.546000 Cu 0.668414 0.413948 0.5 802 63.546 0.000196035 -3.53979 63.546000 Cu 0.73431 0.409324 9.62333e-19 804 63.546 0.000408145 -3.54028 63.546000 Cu 0.818979 0.420997 1 805 63.546 0.000394077 -3.54024 63.546000 Cu 0.752821 0.425744 0.5 807 63.546 0.00100795 -3.54085 63.546000 Cu 0.771476 0.442094 1.62153e-16 832 63.546 0.00104457 -3.54051 63.546000 Cu 0.951435 0.411488 5.6537e-17 809 63.546 8.49004e-05 -3.53997 63.546000 Cu 0.885172 0.416234 0.5 811 63.546 0.000198326 -3.54029 63.546000 Cu 0.837757 0.43733 0.5 834 63.546 0.000604503 -3.5407 63.546000 Cu 0.904018 0.432527 1.7322e-17 836 63.546 0.00017838 -3.53912 63.546000 Cu 0.970218 0.427776 0.5 837 63.546 0.00074686 -3.53898 63.546000 Cu 0.989152 0.444072 1.20292e-17 752 63.546 0.00430926 -3.53433 63.546000 Cu 0.0273067 0.477267 1.22697e-17 782 63.546 0.03576 -3.50852 63.546000 Cu 0.00809271 0.460548 0.5 783 63.546 0.00799969 -3.53201 63.546000 Cu 0.0733432 0.456011 9.62333e-19 784 63.546 0.00549746 -3.5337 63.546000 Cu 0.156618 0.468039 1.63597e-17 785 63.546 0.0182994 -3.53578 63.546000 Cu 0.138897 0.451532 0.5 786 63.546 0.00439696 -3.54161 63.546000 Cu 0.0914048 0.472841 0.5 787 63.546 0.0276939 -3.53982 63.546000 Cu 0.204999 0.446854 1.24381e-16 788 63.546 0.00301449 -3.54244 63.546000 Cu 0.290039 0.458397 5.6537e-17 789 63.546 0.00324842 -3.54085 63.546000 Cu 0.223403 0.463125 0.5 791 63.546 0.00320174 -3.53631 63.546000 Cu 0.241038 0.479482 1 816 63.546 0.0313962 -3.52374 63.546000 Cu 0.308705 0.474468 0.5 818 63.546 0.0153987 -3.53821 63.546000 Cu 0.423058 0.448803 1 793 63.546 0.00160655 -3.53832 63.546000 Cu 0.356852 0.453587 0.5 795 63.546 0.00180137 -3.53974 63.546000 Cu 0.375924 0.46981 9.09404e-17 820 63.546 0.0179479 -3.5436 63.546000 Cu 0.44274 0.465024 0.5 822 63.546 0.0189946 -3.52803 63.546000 Cu 0.508093 0.460548 1 824 63.546 0.00799969 -3.53201 63.546000 Cu 0.591405 0.472841 8.87752e-17 825 63.546 0.0276939 -3.53982 63.546000 Cu 0.573343 0.456011 0.5 826 63.546 0.00549746 -3.5337 63.546000 Cu 0.527307 0.477267 0.5 827 63.546 0.03576 -3.50852 63.546000 Cu 0.638897 0.451532 7.89113e-17 828 63.546 0.00439696 -3.54161 63.546000 Cu 0.656618 0.468039 0.5 831 63.546 0.0182994 -3.53578 63.546000 Cu 0.723403 0.463125 4.93195e-17 829 63.546 0.00320174 -3.53631 63.546000 Cu 0.704999 0.446854 0.5 830 63.546 0.00301449 -3.54244 63.546000 Cu 0.790039 0.458397 0.5 835 63.546 0.00324842 -3.54085 63.546000 Cu 0.741038 0.479482 0.5 844 63.546 0.0313962 -3.52374 63.546000 Cu 0.808705 0.474468 2.40583e-19 845 63.546 0.0153987 -3.53821 63.546000 Cu 0.94274 0.465024 5.96646e-17 24 63.546 0.0189946 -3.52803 63.546000 Cu 0.856852 0.453587 7.21749e-19 833 63.546 0.00180137 -3.53974 63.546000 Cu 0.923058 0.448803 0.5 838 63.546 0.00160655 -3.53832 63.546000 Cu 0.875924 0.46981 0.5 847 63.546 0.0179479 -3.5436 63.546000 Cu 0.129668 0.505335 0.5 26 63.546 6.83455 -3.33575 63.546000 Cu 0.0462399 0.495024 0.5 813 63.546 0.568255 -3.44898 63.546000 Cu 0.10966 0.489728 4.81166e-19 814 63.546 0.418624 -3.48107 63.546000 Cu 0.00101788 0.516448 0.5 4 63.546 5.27372 -3.52905 63.546000 Cu 0.0717159 0.516503 1 25 63.546 9.63265 -3.57635 63.546000 Cu 0.195618 0.501345 4.11397e-17 27 63.546 2.54708 -3.48912 63.546000 Cu 0.217781 0.516459 0.5 29 63.546 9.6681 -3.34008 63.546000 Cu 0.175862 0.484224 0.5 815 63.546 0.0365836 -3.51652 63.546000 Cu 0.325316 0.490541 0 817 63.546 0.513569 -3.47045 63.546000 Cu 0.260311 0.495841 0.5 819 63.546 0.580979 -3.46188 63.546000 Cu 0.287667 0.516487 0 31 63.546 9.22163 -3.62052 63.546000 Cu 0.344281 0.505494 0.5 6 63.546 9.17292 -3.31719 63.546000 Cu 0.411735 0.501849 7.21749e-19 5 63.546 2.93523 -3.48688 63.546000 Cu 0.429142 0.516451 0.5 9 63.546 8.41531 -3.25089 63.546000 Cu 0.462409 0.481656 1.30637e-16 821 63.546 0.0717565 -3.54097 63.546000 Cu 0.396146 0.485615 0.5 823 63.546 0.140723 -3.51954 63.546000 Cu 0.484291 0.498431 0.5 839 63.546 0.75393 -3.47522 63.546000 Cu 0.501018 0.516448 5.41312e-17 7 63.546 5.27372 -3.52905 63.546000 Cu 0.629668 0.505335 2.40583e-19 10 63.546 6.83455 -3.33575 63.546000 Cu 0.54624 0.495024 4.81166e-19 840 63.546 0.568255 -3.44898 63.546000 Cu 0.60966 0.489728 0.5 841 63.546 0.418624 -3.48107 63.546000 Cu 0.571716 0.516503 0.5 13 63.546 9.63265 -3.57635 63.546000 Cu 0.695618 0.501345 0.5 12 63.546 2.54708 -3.48912 63.546000 Cu 0.717781 0.516459 7.79489e-17 14 63.546 9.6681 -3.34008 63.546000 Cu 0.675862 0.484224 3.22381e-17 842 63.546 0.0365836 -3.51652 63.546000 Cu 0.760311 0.495841 1 843 63.546 0.580979 -3.46188 63.546000 Cu 0.825316 0.490541 0.5 848 63.546 0.513569 -3.47045 63.546000 Cu 0.787667 0.516487 0.5 16 63.546 9.22163 -3.62052 63.546000 Cu 0.844281 0.505494 0 1 63.546 9.17292 -3.31719 63.546000 Cu 0.929142 0.516451 6.90474e-17 2 63.546 8.41531 -3.25089 63.546000 Cu 0.911735 0.501849 0.5 3 63.546 2.93523 -3.48688 63.546000 Cu 0.962409 0.481656 0.5 8 63.546 0.0717565 -3.54097 63.546000 Cu 0.984291 0.498431 2.16525e-17 812 63.546 0.75393 -3.47522 63.546000 Cu 0.896146 0.485615 2.40583e-19 846 63.546 0.140723 -3.51954 63.546000 Cu 0.129818 0.527599 0.5 30 63.546 6.79263 -3.33596 63.546000 Cu 0.0463076 0.53789 0.5 56 63.546 0.553828 -3.44988 63.546000 Cu 0.109724 0.543216 2.40583e-19 57 63.546 0.408639 -3.48211 63.546000 Cu 0.19572 0.531584 7.21749e-18 28 63.546 2.52303 -3.48889 63.546000 Cu 0.325396 0.542421 1 32 63.546 0.510338 -3.47017 63.546000 Cu 0.260348 0.5371 0.5 34 63.546 0.573843 -3.4629 63.546000 Cu 0.175949 0.54872 0.5 59 63.546 0.0374434 -3.5164 63.546000 Cu 0.241097 0.553465 1.61191e-17 61 63.546 0.0318275 -3.52332 63.546000 Cu 0.344367 0.527471 0.5 33 63.546 9.18343 -3.31664 63.546000 Cu 0.41179 0.531079 1 35 63.546 2.93217 -3.4878 63.546000 Cu 0.462499 0.551261 1 36 63.546 0.0721369 -3.54042 63.546000 Cu 0.484407 0.534471 0.5 37 63.546 0.746356 -3.47585 63.546000 Cu 0.396271 0.547324 0.5 38 63.546 0.145763 -3.51926 63.546000 Cu 0.629818 0.527599 0 11 63.546 6.79263 -3.33596 63.546000 Cu 0.546308 0.53789 1 39 63.546 0.553828 -3.44988 63.546000 Cu 0.609724 0.543216 0.5 41 63.546 0.408639 -3.48211 63.546000 Cu 0.760348 0.5371 8.56476e-17 15 63.546 0.573843 -3.4629 63.546000 Cu 0.69572 0.531584 0.5 17 63.546 2.52303 -3.48889 63.546000 Cu 0.825396 0.542421 0.5 21 63.546 0.510338 -3.47017 63.546000 Cu 0.675949 0.54872 3.34411e-17 43 63.546 0.0374434 -3.5164 63.546000 Cu 0.741097 0.553465 0.5 45 63.546 0.0318275 -3.52332 63.546000 Cu 0.844367 0.527471 1.80437e-17 18 63.546 9.18343 -3.31664 63.546000 Cu 0.896271 0.547324 1 19 63.546 0.145763 -3.51926 63.546000 Cu 0.91179 0.531079 0.5 20 63.546 2.93217 -3.4878 63.546000 Cu 0.984407 0.534471 7.77084e-17 22 63.546 0.746356 -3.47585 63.546000 Cu 0.962499 0.551261 0.5 23 63.546 0.0721369 -3.54042 63.546000 Cu 0.0273369 0.555649 1 55 63.546 0.0350336 -3.50834 63.546000 Cu 0.00808816 0.572379 0.5 53 63.546 0.0073301 -3.53175 63.546000 Cu 0.156683 0.564907 5.6537e-17 58 63.546 0.0171534 -3.53546 63.546000 Cu 0.0914503 0.56009 0.5 60 63.546 0.0276255 -3.53968 63.546000 Cu 0.0733268 0.576911 1 85 63.546 0.00460716 -3.53381 63.546000 Cu 0.138864 0.581419 0.5 87 63.546 0.00408163 -3.54191 63.546000 Cu 0.290056 0.574556 0 62 63.546 0.00361728 -3.5408 63.546000 Cu 0.308777 0.558479 0.5 63 63.546 0.0153646 -3.53797 63.546000 Cu 0.223452 0.569823 0.5 64 63.546 0.00316519 -3.53598 63.546000 Cu 0.204968 0.586102 7.21749e-19 89 63.546 0.00304636 -3.54294 63.546000 Cu 0.271383 0.59088 0.5 91 63.546 0.000992085 -3.54074 63.546000 Cu 0.375976 0.563154 4.81166e-19 65 63.546 0.018141 -3.54399 63.546000 Cu 0.423059 0.584163 2.3096e-17 66 63.546 0.00171022 -3.53842 63.546000 Cu 0.442768 0.567913 0.5 67 63.546 0.01859 -3.52783 63.546000 Cu 0.356825 0.579385 0.5 68 63.546 0.00163203 -3.54006 63.546000 Cu 0.489091 0.588873 0.5 72 63.546 0.00385764 -3.53451 63.546000 Cu 0.527337 0.555649 0.5 42 63.546 0.0350336 -3.50834 63.546000 Cu 0.59145 0.56009 1 40 63.546 0.0276255 -3.53968 63.546000 Cu 0.656683 0.564907 0.5 46 63.546 0.0171534 -3.53546 63.546000 Cu 0.508088 0.572379 1 69 63.546 0.0073301 -3.53175 63.546000 Cu 0.573327 0.576911 0.5 71 63.546 0.00460716 -3.53381 63.546000 Cu 0.638864 0.581419 1 73 63.546 0.00408163 -3.54191 63.546000 Cu 0.723452 0.569823 4.81166e-19 44 63.546 0.00316519 -3.53598 63.546000 Cu 0.808777 0.558479 7.21749e-19 47 63.546 0.0153646 -3.53797 63.546000 Cu 0.790056 0.574556 0.5 50 63.546 0.00361728 -3.5408 63.546000 Cu 0.704968 0.586102 0.5 75 63.546 0.00304636 -3.54294 63.546000 Cu 0.771383 0.59088 2.40583e-19 77 63.546 0.000992085 -3.54074 63.546000 Cu 0.856825 0.579385 7.21749e-19 48 63.546 0.00163203 -3.54006 63.546000 Cu 0.875976 0.563154 0.5 49 63.546 0.018141 -3.54399 63.546000 Cu 0.942768 0.567913 3.56063e-17 51 63.546 0.01859 -3.52783 63.546000 Cu 0.989091 0.588873 1 52 63.546 0.00385764 -3.53451 63.546000 Cu 0.923059 0.584163 0.5 54 63.546 0.00171022 -3.53842 63.546000 Cu 0.0548927 0.593435 0.5 88 63.546 0.00169172 -3.53732 63.546000 Cu 0.120712 0.597976 4.81166e-19 86 63.546 0.000463391 -3.53918 63.546000 Cu 0.0362132 0.609857 1.22457e-16 115 63.546 0.00102895 -3.53832 63.546000 Cu 0.102171 0.614445 0.5 117 63.546 0.000372045 -3.53899 63.546000 Cu 0.0173933 0.626217 0.5 118 63.546 0.000409456 -3.53957 63.546000 Cu 0.252626 0.607245 9.62333e-19 90 63.546 0.000910398 -3.54087 63.546000 Cu 0.186578 0.602556 0.5 92 63.546 0.0010544 -3.54153 63.546000 Cu 0.318738 0.611999 0.5 96 63.546 0.000422164 -3.53996 63.546000 Cu 0.16807 0.619041 1 119 63.546 0.000112177 -3.53978 63.546000 Cu 0.233983 0.623676 0.5 121 63.546 0.000358273 -3.54015 63.546000 Cu 0.300008 0.628373 2.44914e-16 123 63.546 0.000388469 -3.54024 63.546000 Cu 0.337656 0.595656 1 93 63.546 0.000484357 -3.5411 63.546000 Cu 0.38497 0.616765 8.17983e-18 94 63.546 9.86559e-05 -3.54027 63.546000 Cu 0.403908 0.600458 0.5 95 63.546 0.000202494 -3.5395 63.546000 Cu 0.470106 0.6052 1.37132e-16 97 63.546 0.000766332 -3.53917 63.546000 Cu 0.451185 0.621514 0.5 100 63.546 0.000114439 -3.53993 63.546000 Cu 0.554893 0.593435 5.38906e-17 70 63.546 0.00169172 -3.53732 63.546000 Cu 0.620712 0.597976 0.5 76 63.546 0.000463391 -3.53918 63.546000 Cu 0.517393 0.626217 4.98007e-17 98 63.546 0.000409456 -3.53957 63.546000 Cu 0.536213 0.609857 0.5 99 63.546 0.00102895 -3.53832 63.546000 Cu 0.602171 0.614445 1.21976e-16 101 63.546 0.000372045 -3.53899 63.546000 Cu 0.686578 0.602556 1.22216e-16 74 63.546 0.0010544 -3.54153 63.546000 Cu 0.818738 0.611999 1.22457e-16 78 63.546 0.000422164 -3.53996 63.546000 Cu 0.752626 0.607245 0.5 80 63.546 0.000910398 -3.54087 63.546000 Cu 0.66807 0.619041 0.5 103 63.546 0.000112177 -3.53978 63.546000 Cu 0.733983 0.623676 1.21494e-16 105 63.546 0.000358273 -3.54015 63.546000 Cu 0.800008 0.628373 0.5 107 63.546 0.000388469 -3.54024 63.546000 Cu 0.837656 0.595656 0.5 79 63.546 0.000484357 -3.5411 63.546000 Cu 0.903908 0.600458 4.73949e-17 81 63.546 0.000202494 -3.5395 63.546000 Cu 0.951185 0.621514 1.21013e-16 82 63.546 0.000114439 -3.53993 63.546000 Cu 0.970106 0.6052 0.5 83 63.546 0.000766332 -3.53917 63.546000 Cu 0.88497 0.616765 0.5 84 63.546 9.86559e-05 -3.54027 63.546000 Cu 0.0834317 0.630869 1.79234e-16 116 63.546 0.000339555 -3.53936 63.546000 Cu 0.149425 0.635492 0.5 122 63.546 0.000119503 -3.53956 63.546000 Cu 0.0457697 0.66362 1.37614e-16 146 63.546 3.7928e-05 -3.54021 63.546000 Cu 0.0646311 0.647252 0.5 147 63.546 0.000182002 -3.53978 63.546000 Cu 0.130675 0.651914 7.26561e-17 148 63.546 0.000161144 -3.53952 63.546000 Cu 0.215351 0.640125 1 120 63.546 4.99911e-05 -3.53971 63.546000 Cu 0.28134 0.644785 0.5 126 63.546 0.000148573 -3.54053 63.546000 Cu 0.196669 0.656554 0.5 150 63.546 4.19175e-05 -3.53958 63.546000 Cu 0.262633 0.661215 1.21254e-16 152 63.546 3.04755e-05 -3.54015 63.546000 Cu 0.328673 0.665894 0.5 154 63.546 3.8325e-05 -3.54036 63.546000 Cu 0.347388 0.649486 1 124 63.546 0.000149053 -3.54085 63.546000 Cu 0.366139 0.633104 0.5 125 63.546 0.000193764 -3.54034 63.546000 Cu 0.432336 0.637845 1 127 63.546 4.26996e-05 -3.54007 63.546000 Cu 0.479623 0.658914 6.88068e-17 128 63.546 3.11775e-05 -3.54009 63.546000 Cu 0.498489 0.642564 0.5 129 63.546 6.75231e-05 -3.53978 63.546000 Cu 0.41351 0.6542 0.5 130 63.546 7.86515e-05 -3.5403 63.546000 Cu 0.649425 0.635492 1.46756e-16 102 63.546 0.000119503 -3.53956 63.546000 Cu 0.583432 0.630869 0.5 104 63.546 0.000339555 -3.53936 63.546000 Cu 0.564631 0.647252 2.40583e-19 131 63.546 0.000182002 -3.53978 63.546000 Cu 0.630675 0.651914 0.5 133 63.546 0.000161144 -3.53952 63.546000 Cu 0.54577 0.66362 0.5 134 63.546 3.7928e-05 -3.54021 63.546000 Cu 0.78134 0.644785 1.84046e-16 106 63.546 0.000148573 -3.54053 63.546000 Cu 0.715351 0.640125 0.5 108 63.546 4.99911e-05 -3.53971 63.546000 Cu 0.696669 0.656554 1 135 63.546 4.19175e-05 -3.53958 63.546000 Cu 0.762633 0.661215 0.5 137 63.546 3.04755e-05 -3.54015 63.546000 Cu 0.828673 0.665894 8.75723e-17 139 63.546 3.8325e-05 -3.54036 63.546000 Cu 0.866139 0.633104 1.12593e-16 109 63.546 0.000193764 -3.54034 63.546000 Cu 0.91351 0.6542 2.40583e-19 110 63.546 7.86515e-05 -3.5403 63.546000 Cu 0.932336 0.637845 0.5 111 63.546 4.26996e-05 -3.54007 63.546000 Cu 0.847388 0.649486 0.5 112 63.546 0.000149053 -3.54085 63.546000 Cu 0.998489 0.642564 5.05225e-17 113 63.546 6.75231e-05 -3.53978 63.546000 Cu 0.979623 0.658914 0.5 114 63.546 3.11775e-05 -3.54009 63.546000 Cu 0.00816523 0.696357 4.81166e-19 144 63.546 1.05126e-05 -3.53982 63.546000 Cu 0.111864 0.668302 0.5 151 63.546 6.79697e-05 -3.54001 63.546000 Cu 0.0269285 0.679986 0.5 176 63.546 1.69421e-05 -3.54024 63.546000 Cu 0.093047 0.684683 2.40583e-19 177 63.546 4.48662e-05 -3.53983 63.546000 Cu 0.159097 0.689363 0.5 179 63.546 7.38037e-05 -3.53973 63.546000 Cu 0.074252 0.701045 0.5 180 63.546 8.94278e-06 -3.53933 63.546000 Cu 0.177912 0.672971 1.13074e-16 149 63.546 5.84692e-05 -3.54011 63.546000 Cu 0.309949 0.682297 9.88797e-17 153 63.546 1.40346e-05 -3.53983 63.546000 Cu 0.24393 0.67763 0.5 155 63.546 1.47786e-05 -3.54005 63.546000 Cu 0.22519 0.694032 1 181 63.546 5.06324e-05 -3.53984 63.546000 Cu 0.291236 0.698695 0.5 183 63.546 7.51839e-06 -3.53997 63.546000 Cu 0.394716 0.670585 0 156 63.546 5.7188e-05 -3.54033 63.546000 Cu 0.442072 0.691664 9.64738e-17 157 63.546 1.70241e-05 -3.53988 63.546000 Cu 0.460836 0.675285 0.5 158 63.546 1.9978e-05 -3.54032 63.546000 Cu 0.376007 0.686975 0.5 159 63.546 1.68748e-05 -3.53979 63.546000 Cu 0.357302 0.703368 1 185 63.546 4.48526e-06 -3.54 63.546000 Cu 0.611864 0.668302 0 132 63.546 6.79697e-05 -3.54001 63.546000 Cu 0.526929 0.679986 2.76671e-17 160 63.546 1.69421e-05 -3.54024 63.546000 Cu 0.574252 0.701045 3.63281e-17 161 63.546 8.94278e-06 -3.53933 63.546000 Cu 0.593047 0.684683 0.5 162 63.546 4.48662e-05 -3.53983 63.546000 Cu 0.508165 0.696357 0.5 163 63.546 1.05126e-05 -3.53982 63.546000 Cu 0.659097 0.689363 1.19089e-16 164 63.546 7.38037e-05 -3.53973 63.546000 Cu 0.74393 0.67763 4.76355e-17 136 63.546 1.47786e-05 -3.54005 63.546000 Cu 0.677912 0.672971 0.5 138 63.546 5.84692e-05 -3.54011 63.546000 Cu 0.809949 0.682297 0.5 142 63.546 1.40346e-05 -3.53983 63.546000 Cu 0.72519 0.694032 0.5 166 63.546 5.06324e-05 -3.53984 63.546000 Cu 0.791236 0.698695 1.85249e-17 168 63.546 7.51839e-06 -3.53997 63.546000 Cu 0.876007 0.686975 7.21749e-19 140 63.546 1.68748e-05 -3.53979 63.546000 Cu 0.894716 0.670585 0.5 141 63.546 5.7188e-05 -3.54033 63.546000 Cu 0.960836 0.675285 8.66099e-18 143 63.546 1.9978e-05 -3.54032 63.546000 Cu 0.942072 0.691664 0.5 145 63.546 1.70241e-05 -3.53988 63.546000 Cu 0.857302 0.703368 0.5 170 63.546 4.48526e-06 -3.54 63.546000 Cu 0.140351 0.705727 1.54936e-16 178 63.546 5.04917e-06 -3.53921 63.546000 Cu 0.0555076 0.717409 7.21749e-19 206 63.546 1.62607e-05 -3.53983 63.546000 Cu 0.102892 0.738461 1 207 63.546 2.3573e-05 -3.5401 63.546000 Cu 0.121619 0.722089 0.5 208 63.546 5.36602e-06 -3.53994 63.546000 Cu 0.0368015 0.733786 0.5 209 63.546 2.03459e-05 -3.54013 63.546000 Cu 0.272529 0.715085 7.21749e-19 182 63.546 1.95008e-05 -3.54005 63.546000 Cu 0.206442 0.710405 0.5 184 63.546 1.50906e-05 -3.53962 63.546000 Cu 0.187717 0.726774 1 210 63.546 8.05218e-06 -3.54013 63.546000 Cu 0.253848 0.731464 0.5 212 63.546 2.1501e-05 -3.54014 63.546000 Cu 0.31994 0.73615 6.27922e-17 214 63.546 3.02182e-05 -3.53986 63.546000 Cu 0.404656 0.72444 1.21976e-16 186 63.546 1.04412e-05 -3.54029 63.546000 Cu 0.423334 0.708045 0.5 187 63.546 3.49357e-05 -3.54002 63.546000 Cu 0.338591 0.719764 0.5 188 63.546 1.58598e-05 -3.54023 63.546000 Cu 0.489428 0.712729 2.62957e-16 189 63.546 1.57673e-05 -3.53999 63.546000 Cu 0.47072 0.729113 0.5 192 63.546 1.95672e-05 -3.54023 63.546000 Cu 0.640351 0.705727 0.5 167 63.546 5.04917e-06 -3.53921 63.546000 Cu 0.536802 0.733786 5.6537e-17 190 63.546 2.03459e-05 -3.54013 63.546000 Cu 0.555508 0.717409 0.5 191 63.546 1.62607e-05 -3.53983 63.546000 Cu 0.621619 0.722089 8.70911e-17 193 63.546 5.36602e-06 -3.53994 63.546000 Cu 0.602892 0.738461 0.5 196 63.546 2.3573e-05 -3.5401 63.546000 Cu 0.706442 0.710405 1 165 63.546 1.50906e-05 -3.53962 63.546000 Cu 0.772529 0.715085 0.5 171 63.546 1.95008e-05 -3.54005 63.546000 Cu 0.687717 0.726774 0.5 195 63.546 8.05218e-06 -3.54013 63.546000 Cu 0.753848 0.731464 1.22457e-16 197 63.546 2.1501e-05 -3.54014 63.546000 Cu 0.81994 0.73615 0.5 199 63.546 3.02182e-05 -3.53986 63.546000 Cu 0.838591 0.719764 8.05954e-17 169 63.546 1.58598e-05 -3.54023 63.546000 Cu 0.923334 0.708045 9.62333e-19 172 63.546 3.49357e-05 -3.54002 63.546000 Cu 0.97072 0.729113 1.68408e-18 173 63.546 1.95672e-05 -3.54023 63.546000 Cu 0.989428 0.712729 0.5 174 63.546 1.57673e-05 -3.53999 63.546000 Cu 0.904656 0.72444 0.5 175 63.546 1.04412e-05 -3.54029 63.546000 Cu 0.0181536 0.750171 1 236 63.546 2.50957e-05 -3.53982 63.546000 Cu 0.0656671 0.771218 9.62333e-19 237 63.546 1.94289e-05 -3.53991 63.546000 Cu 0.0842292 0.754835 0.5 238 63.546 5.20758e-05 -3.53972 63.546000 Cu 0.150349 0.759504 1 239 63.546 4.28755e-05 -3.53983 63.546000 Cu 0.131754 0.775877 0.5 242 63.546 5.94006e-05 -3.54008 63.546000 Cu 0.23516 0.747827 9.1181e-17 211 63.546 6.10326e-06 -3.53985 63.546000 Cu 0.169019 0.74314 0.5 213 63.546 1.23705e-05 -3.5401 63.546000 Cu 0.3013 0.752516 0.5 217 63.546 1.86427e-05 -3.53954 63.546000 Cu 0.216488 0.76418 0.5 241 63.546 2.90518e-05 -3.53965 63.546000 Cu 0.282637 0.768867 1 243 63.546 1.488e-05 -3.53965 63.546000 Cu 0.386027 0.74083 0.5 216 63.546 2.58324e-05 -3.53983 63.546000 Cu 0.367411 0.757204 2.33366e-17 215 63.546 3.23991e-05 -3.53964 63.546000 Cu 0.452083 0.745502 2.50447e-16 218 63.546 1.80855e-05 -3.53987 63.546000 Cu 0.499595 0.766558 1 219 63.546 1.40806e-05 -3.53975 63.546000 Cu 0.433519 0.761886 0.5 221 63.546 3.27971e-05 -3.53981 63.546000 Cu 0.348798 0.773562 0.5 245 63.546 1.23989e-05 -3.5399 63.546000 Cu 0.518154 0.750171 0.5 220 63.546 2.50957e-05 -3.53982 63.546000 Cu 0.584229 0.754835 1 222 63.546 5.20758e-05 -3.53972 63.546000 Cu 0.631754 0.775877 0 223 63.546 5.94006e-05 -3.54008 63.546000 Cu 0.650349 0.759504 0.5 224 63.546 4.28755e-05 -3.53983 63.546000 Cu 0.565667 0.771218 0.5 225 63.546 1.94289e-05 -3.53991 63.546000 Cu 0.669019 0.74314 1.01045e-17 194 63.546 1.23705e-05 -3.5401 63.546000 Cu 0.8013 0.752516 5.26877e-17 198 63.546 1.86427e-05 -3.53954 63.546000 Cu 0.73516 0.747827 0.5 200 63.546 6.10326e-06 -3.53985 63.546000 Cu 0.716488 0.76418 1.66002e-17 226 63.546 2.90518e-05 -3.53965 63.546000 Cu 0.782637 0.768867 0.5 228 63.546 1.488e-05 -3.53965 63.546000 Cu 0.886027 0.74083 1 201 63.546 2.58324e-05 -3.53983 63.546000 Cu 0.933519 0.761886 1 202 63.546 3.27971e-05 -3.53981 63.546000 Cu 0.952083 0.745502 0.5 203 63.546 1.80855e-05 -3.53987 63.546000 Cu 0.867411 0.757204 0.5 204 63.546 3.23991e-05 -3.53964 63.546000 Cu 0.999595 0.766558 0.5 205 63.546 1.40806e-05 -3.53975 63.546000 Cu 0.848798 0.773562 1.23179e-16 230 63.546 1.23989e-05 -3.5399 63.546000 Cu 0.0286387 0.803991 1.41944e-17 267 63.546 2.55164e-05 -3.53974 63.546000 Cu 0.047164 0.787612 0.5 268 63.546 2.77304e-05 -3.53996 63.546000 Cu 0.113258 0.792269 1 269 63.546 6.46329e-06 -3.5399 63.546000 Cu 0.160842 0.813304 1 270 63.546 3.66475e-06 -3.53942 63.546000 Cu 0.0947608 0.808651 0.5 272 63.546 1.99917e-05 -3.53959 63.546000 Cu 0.19788 0.780543 1.4435e-18 240 63.546 5.93313e-05 -3.53991 63.546000 Cu 0.33021 0.789918 2.50206e-16 244 63.546 5.88289e-06 -3.54031 63.546000 Cu 0.264023 0.785221 0.5 246 63.546 4.93558e-05 -3.54006 63.546000 Cu 0.179341 0.79692 0.5 271 63.546 3.06973e-05 -3.53973 63.546000 Cu 0.245466 0.801588 2.40583e-18 273 63.546 4.56851e-05 -3.53999 63.546000 Cu 0.311612 0.806277 0.5 275 63.546 2.11296e-05 -3.54034 63.546000 Cu 0.414955 0.778258 1 247 63.546 3.41283e-05 -3.53993 63.546000 Cu 0.462516 0.799314 9.62333e-19 248 63.546 2.416e-05 -3.53985 63.546000 Cu 0.481077 0.782943 0.5 249 63.546 4.87379e-05 -3.53979 63.546000 Cu 0.396373 0.794621 0.5 250 63.546 1.05914e-05 -3.54016 63.546000 Cu 0.377799 0.810982 7.21749e-19 277 63.546 9.51407e-06 -3.54017 63.546000 Cu 0.547164 0.787612 7.21749e-19 251 63.546 2.77304e-05 -3.53996 63.546000 Cu 0.594761 0.808651 2.81482e-17 252 63.546 1.99917e-05 -3.53959 63.546000 Cu 0.613258 0.792269 0.5 253 63.546 6.46329e-06 -3.5399 63.546000 Cu 0.528639 0.803991 0.5 254 63.546 2.55164e-05 -3.53974 63.546000 Cu 0.660842 0.813304 0.5 258 63.546 3.66475e-06 -3.53942 63.546000 Cu 0.764023 0.785221 4.16209e-17 227 63.546 4.93558e-05 -3.54006 63.546000 Cu 0.69788 0.780543 0.5 229 63.546 5.93313e-05 -3.53991 63.546000 Cu 0.83021 0.789918 0.5 233 63.546 5.88289e-06 -3.54031 63.546000 Cu 0.679341 0.79692 1.26787e-16 255 63.546 3.06973e-05 -3.53973 63.546000 Cu 0.745466 0.801588 0.5 257 63.546 4.56851e-05 -3.53999 63.546000 Cu 0.811612 0.806277 1.62875e-16 259 63.546 2.11296e-05 -3.54034 63.546000 Cu 0.896373 0.794621 7.89113e-17 231 63.546 1.05914e-05 -3.54016 63.546000 Cu 0.914955 0.778258 0.5 232 63.546 3.41283e-05 -3.53993 63.546000 Cu 0.981077 0.782943 1.41944e-17 234 63.546 4.87379e-05 -3.53979 63.546000 Cu 0.962516 0.799314 0.5 235 63.546 2.416e-05 -3.53985 63.546000 Cu 0.877799 0.810982 0.5 261 63.546 9.51407e-06 -3.54017 63.546000 Cu 0.0100966 0.820361 0.5 265 63.546 2.5488e-05 -3.5401 63.546000 Cu 0.0762016 0.82503 5.6537e-17 297 63.546 1.41611e-05 -3.53992 63.546000 Cu 0.123792 0.846075 5.6537e-17 298 63.546 1.07331e-05 -3.54005 63.546000 Cu 0.142307 0.829687 0.5 299 63.546 5.29392e-06 -3.5398 63.546000 Cu 0.0577007 0.841416 0.5 300 63.546 5.84322e-05 -3.5399 63.546000 Cu 0.293049 0.822637 9.45492e-17 274 63.546 5.30504e-05 -3.53989 63.546000 Cu 0.22692 0.81796 0.5 276 63.546 4.19371e-05 -3.53962 63.546000 Cu 0.208398 0.83434 2.16525e-17 301 63.546 2.45583e-05 -3.53997 63.546000 Cu 0.274541 0.839001 0.5 303 63.546 5.32964e-05 -3.53985 63.546000 Cu 0.189919 0.850729 0.5 304 63.546 2.52596e-06 -3.54005 63.546000 Cu 0.425413 0.832034 1 278 63.546 1.32827e-05 -3.53969 63.546000 Cu 0.443951 0.815681 0.5 279 63.546 3.24974e-05 -3.53999 63.546000 Cu 0.359231 0.827332 0.5 280 63.546 7.5976e-06 -3.53967 63.546000 Cu 0.491583 0.836737 0.5 284 63.546 9.50418e-05 -3.53987 63.546000 Cu 0.340685 0.843677 4.23426e-17 305 63.546 6.86908e-05 -3.53952 63.546000 Cu 0.406857 0.848377 0.5 307 63.546 3.15588e-05 -3.53967 63.546000 Cu 0.510097 0.820361 1 281 63.546 2.5488e-05 -3.5401 63.546000 Cu 0.557701 0.841416 9.62333e-19 282 63.546 5.84322e-05 -3.5399 63.546000 Cu 0.576202 0.82503 0.5 283 63.546 1.41611e-05 -3.53992 63.546000 Cu 0.642307 0.829687 8.94969e-17 285 63.546 5.29392e-06 -3.5398 63.546000 Cu 0.623792 0.846075 0.5 288 63.546 1.07331e-05 -3.54005 63.546000 Cu 0.72692 0.81796 5.79805e-17 256 63.546 4.19371e-05 -3.53962 63.546000 Cu 0.793049 0.822637 0.5 262 63.546 5.30504e-05 -3.53989 63.546000 Cu 0.689919 0.850729 4.81166e-19 286 63.546 2.52596e-06 -3.54005 63.546000 Cu 0.708398 0.83434 0.5 287 63.546 2.45583e-05 -3.53997 63.546000 Cu 0.774541 0.839001 1.88617e-16 289 63.546 5.32964e-05 -3.53985 63.546000 Cu 0.859231 0.827332 1 260 63.546 7.5976e-06 -3.53967 63.546000 Cu 0.943951 0.815681 1 263 63.546 3.24974e-05 -3.53999 63.546000 Cu 0.991583 0.836737 5.43718e-17 264 63.546 9.50418e-05 -3.53987 63.546000 Cu 0.925413 0.832034 0.5 266 63.546 1.32827e-05 -3.53969 63.546000 Cu 0.840685 0.843677 0.5 291 63.546 6.86908e-05 -3.53952 63.546000 Cu 0.906857 0.848377 1 293 63.546 3.15588e-05 -3.53967 63.546000 Cu 0.0391764 0.857789 6.3514e-17 327 63.546 0.000136155 -3.53996 63.546000 Cu 0.0867077 0.878828 0 328 63.546 0.000132136 -3.54015 63.546000 Cu 0.105317 0.862466 0.5 329 63.546 0.000140052 -3.54002 63.546000 Cu 0.0205163 0.874141 0.5 330 63.546 6.43752e-05 -3.54004 63.546000 Cu 0.152838 0.88351 0.5 334 63.546 0.000206264 -3.54061 63.546000 Cu 0.256031 0.855379 2.32163e-16 302 63.546 4.31913e-05 -3.53968 63.546000 Cu 0.322129 0.860039 0.5 308 63.546 0.0001503 -3.53957 63.546000 Cu 0.171431 0.867115 5.6537e-17 331 63.546 7.59181e-05 -3.54002 63.546000 Cu 0.237509 0.871768 0.5 333 63.546 0.000148425 -3.53963 63.546000 Cu 0.303484 0.876427 1.40019e-16 335 63.546 8.13377e-05 -3.53946 63.546000 Cu 0.218848 0.888179 1 332 63.546 6.57283e-05 -3.54028 63.546000 Cu 0.38822 0.864727 4.81166e-19 306 63.546 9.65184e-05 -3.53992 63.546000 Cu 0.473016 0.853087 1 309 63.546 3.92447e-05 -3.53987 63.546000 Cu 0.454358 0.869435 0.5 312 63.546 3.6616e-05 -3.5401 63.546000 Cu 0.369471 0.881092 0.5 337 63.546 0.000149008 -3.53986 63.546000 Cu 0.435585 0.885771 1.6095e-16 339 63.546 0.000112198 -3.54014 63.546000 Cu 0.520516 0.874141 7.40996e-17 310 63.546 6.43752e-05 -3.54004 63.546000 Cu 0.539176 0.857789 0.5 311 63.546 0.000136155 -3.53996 63.546000 Cu 0.605317 0.862466 6.0627e-17 313 63.546 0.000140052 -3.54002 63.546000 Cu 0.652838 0.88351 8.90158e-17 314 63.546 0.000206264 -3.54061 63.546000 Cu 0.586708 0.878828 0.5 316 63.546 0.000132136 -3.54015 63.546000 Cu 0.822129 0.860039 4.88384e-17 290 63.546 0.0001503 -3.53957 63.546000 Cu 0.756031 0.855379 0.5 292 63.546 4.31913e-05 -3.53968 63.546000 Cu 0.671431 0.867115 0.5 315 63.546 7.59181e-05 -3.54002 63.546000 Cu 0.737509 0.871768 1 317 63.546 0.000148425 -3.53963 63.546000 Cu 0.803484 0.876427 0.5 319 63.546 8.13377e-05 -3.53946 63.546000 Cu 0.718848 0.888179 0.5 320 63.546 6.57283e-05 -3.54028 63.546000 Cu 0.954358 0.869435 0 294 63.546 3.6616e-05 -3.5401 63.546000 Cu 0.973016 0.853087 0.5 295 63.546 3.92447e-05 -3.53987 63.546000 Cu 0.88822 0.864727 0.5 296 63.546 9.65184e-05 -3.53992 63.546000 Cu 0.869471 0.881092 1 321 63.546 0.000149008 -3.53986 63.546000 Cu 0.935585 0.885771 0.5 323 63.546 0.000112198 -3.54014 63.546000 Cu 0.049136 0.9115 1 358 63.546 4.69104e-05 -3.53932 63.546000 Cu 0.0679857 0.895182 0.5 359 63.546 0.00014377 -3.54002 63.546000 Cu 0.134065 0.899891 2.40583e-19 360 63.546 0.000166646 -3.54035 63.546000 Cu 0.115323 0.916246 0.5 363 63.546 0.000302714 -3.53976 63.546000 Cu 0.00181789 0.890467 5.6537e-17 325 63.546 5.84938e-05 -3.54002 63.546000 Cu 0.284752 0.892837 0.5 338 63.546 9.83962e-05 -3.5396 63.546000 Cu 0.181534 0.920971 4.7876e-17 361 63.546 0.000407605 -3.54031 63.546000 Cu 0.200121 0.904594 0.5 362 63.546 0.000304543 -3.54056 63.546000 Cu 0.266188 0.909261 8.30012e-17 364 63.546 0.000161713 -3.5402 63.546000 Cu 0.332171 0.913889 0.5 366 63.546 0.000154737 -3.53964 63.546000 Cu 0.247717 0.925689 0.5 367 63.546 0.000703622 -3.54109 63.546000 Cu 0.35076 0.897475 1.04654e-16 336 63.546 0.000190897 -3.53959 63.546000 Cu 0.482988 0.906789 0 340 63.546 0.000196034 -3.53944 63.546000 Cu 0.416847 0.90212 0.5 342 63.546 0.000259723 -3.53955 63.546000 Cu 0.398169 0.918498 1 368 63.546 0.000528258 -3.53933 63.546000 Cu 0.464139 0.923124 0.5 370 63.546 0.000828127 -3.53846 63.546000 Cu 0.501818 0.890467 0.5 341 63.546 5.84938e-05 -3.54002 63.546000 Cu 0.567986 0.895182 1 343 63.546 0.00014377 -3.54002 63.546000 Cu 0.615323 0.916246 1 344 63.546 0.000302714 -3.53976 63.546000 Cu 0.634065 0.899891 0.5 345 63.546 0.000166646 -3.54035 63.546000 Cu 0.549136 0.9115 0.5 346 63.546 4.69104e-05 -3.53932 63.546000 Cu 0.784752 0.892837 5.22065e-17 318 63.546 9.83962e-05 -3.5396 63.546000 Cu 0.700121 0.904594 1 347 63.546 0.000304543 -3.54056 63.546000 Cu 0.766188 0.909261 0.5 349 63.546 0.000161713 -3.5402 63.546000 Cu 0.681534 0.920971 0.5 350 63.546 0.000407605 -3.54031 63.546000 Cu 0.832171 0.913889 4.81166e-19 351 63.546 0.000154737 -3.53964 63.546000 Cu 0.747717 0.925689 1 348 63.546 0.000703622 -3.54109 63.546000 Cu 0.916847 0.90212 2.40583e-19 322 63.546 0.000259723 -3.53955 63.546000 Cu 0.85076 0.897475 0.5 324 63.546 0.000190897 -3.53959 63.546000 Cu 0.982988 0.906789 0.5 326 63.546 0.000196034 -3.53944 63.546000 Cu 0.898169 0.918498 0.5 353 63.546 0.000528258 -3.53933 63.546000 Cu 0.964139 0.923124 0 355 63.546 0.000828127 -3.53846 63.546000 Cu 0.0112484 0.944102 9.71956e-17 356 63.546 0.00318278 -3.53463 63.546000 Cu 0.0302588 0.927797 0.5 388 63.546 0.000525766 -3.5389 63.546000 Cu 0.0964957 0.932532 7.21749e-19 389 63.546 0.000259481 -3.53908 63.546000 Cu 0.143621 0.953575 1.23419e-16 390 63.546 0.00138335 -3.53958 63.546000 Cu 0.162814 0.937316 0.5 391 63.546 0.000944602 -3.54096 63.546000 Cu 0.0773822 0.948796 0.5 392 63.546 0.00168742 -3.53869 63.546000 Cu 0.313745 0.930355 0 365 63.546 0.000476395 -3.54139 63.546000 Cu 0.229071 0.942065 4.81166e-19 393 63.546 0.0010137 -3.54075 63.546000 Cu 0.295356 0.946828 0.5 395 63.546 0.00269704 -3.54275 63.546000 Cu 0.210378 0.958385 0.5 396 63.546 0.00352401 -3.5406 63.546000 Cu 0.445419 0.939524 0 369 63.546 0.00143382 -3.53736 63.546000 Cu 0.379581 0.934951 0.5 371 63.546 0.000489823 -3.53935 63.546000 Cu 0.361365 0.951494 5.6537e-17 397 63.546 0.00271882 -3.54172 63.546000 Cu 0.426921 0.956007 0.5 399 63.546 0.00503519 -3.53347 63.546000 Cu 0.492277 0.960561 2.40583e-19 401 63.546 0.00700242 -3.53248 63.546000 Cu 0.530259 0.927797 1.21254e-16 372 63.546 0.000525766 -3.5389 63.546000 Cu 0.577382 0.948796 5.6537e-17 373 63.546 0.00168742 -3.53869 63.546000 Cu 0.596496 0.932532 0.5 374 63.546 0.000259481 -3.53908 63.546000 Cu 0.511248 0.944102 0.5 375 63.546 0.00318278 -3.53463 63.546000 Cu 0.662814 0.937316 2.40583e-19 376 63.546 0.000944602 -3.54096 63.546000 Cu 0.643621 0.953575 0.5 379 63.546 0.00138335 -3.53958 63.546000 Cu 0.813745 0.930355 0.5 354 63.546 0.000476395 -3.54139 63.546000 Cu 0.710378 0.958385 1 377 63.546 0.00352401 -3.5406 63.546000 Cu 0.729071 0.942065 0.5 378 63.546 0.0010137 -3.54075 63.546000 Cu 0.795356 0.946828 1 380 63.546 0.00269704 -3.54275 63.546000 Cu 0.879581 0.934951 0 352 63.546 0.000489823 -3.53935 63.546000 Cu 0.945419 0.939524 0.5 357 63.546 0.00143382 -3.53736 63.546000 Cu 0.861365 0.951494 0.5 382 63.546 0.00271882 -3.54172 63.546000 Cu 0.926921 0.956007 7.69866e-17 384 63.546 0.00503519 -3.53347 63.546000 Cu 0.992277 0.960561 0.5 386 63.546 0.00700242 -3.53248 63.546000 Cu 0.0157839 0.998401 1 425 63.546 0.808235 -3.47305 63.546000 Cu 0.0576555 0.965043 7.21749e-19 414 63.546 0.0164605 -3.52862 63.546000 Cu 0.104152 0.985632 1 415 63.546 0.138658 -3.51959 63.546000 Cu 0.124476 0.969794 0.5 416 63.546 0.0167366 -3.54349 63.546000 Cu 0.037928 0.98168 0.5 417 63.546 0.0677333 -3.54103 63.546000 Cu 0.276904 0.963147 2.40583e-19 394 63.546 0.00319408 -3.53662 63.546000 Cu 0.191585 0.974468 9.62333e-19 418 63.546 0.015833 -3.53751 63.546000 Cu 0.239932 0.99584 9.86391e-17 419 63.546 0.623363 -3.46013 63.546000 Cu 0.259284 0.979509 0.5 420 63.546 0.0325676 -3.52309 63.546000 Cu 0.174911 0.990543 0.5 421 63.546 0.530278 -3.47022 63.546000 Cu 0.324447 0.984272 1.21976e-16 422 63.546 0.0316941 -3.51661 63.546000 Cu 0.408798 0.97281 1.13555e-16 398 63.546 0.0231589 -3.53967 63.546000 Cu 0.343589 0.968028 0.5 400 63.546 0.0155782 -3.53589 63.546000 Cu 0.472937 0.977242 0.5 404 63.546 0.0357355 -3.5068 63.546000 Cu 0.390475 0.98971 0.5 423 63.546 0.456123 -3.47951 63.546000 Cu 0.453954 0.994936 1 424 63.546 0.636705 -3.44285 63.546000 Cu 0.515784 0.998401 0.5 444 63.546 0.808235 -3.47305 63.546000 Cu 0.537928 0.98168 1 402 63.546 0.0677333 -3.54103 63.546000 Cu 0.557655 0.965043 0.5 403 63.546 0.0164605 -3.52862 63.546000 Cu 0.624476 0.969794 1.22697e-16 405 63.546 0.0167366 -3.54349 63.546000 Cu 0.604152 0.985632 0.5 408 63.546 0.138658 -3.51959 63.546000 Cu 0.776904 0.963147 0.5 383 63.546 0.00319408 -3.53662 63.546000 Cu 0.674911 0.990543 1 406 63.546 0.530278 -3.47022 63.546000 Cu 0.691585 0.974468 0.5 407 63.546 0.015833 -3.53751 63.546000 Cu 0.759284 0.979509 1.4435e-18 409 63.546 0.0325676 -3.52309 63.546000 Cu 0.824447 0.984272 0.5 410 63.546 0.0316941 -3.51661 63.546000 Cu 0.739932 0.99584 0.5 411 63.546 0.623363 -3.46013 63.546000 Cu 0.843589 0.968028 1 381 63.546 0.0155782 -3.53589 63.546000 Cu 0.972937 0.977242 3.7531e-17 385 63.546 0.0357355 -3.5068 63.546000 Cu 0.908798 0.97281 0.5 387 63.546 0.0231589 -3.53967 63.546000 Cu 0.890475 0.98971 1 412 63.546 0.456123 -3.47951 63.546000 Cu 0.953954 0.994936 0.5 413 63.546 0.636705 -3.44285