Number of particles = 850 A = 1 Angstrom (basic length-scale) H0(1,1) = 26.3266 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 106.116 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60899 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 0.0645218 0.0189081 1 443 63.546 0.45297 -3.47092 63.546000 Cu 0.0447657 0.00487241 0.5 444 63.546 10.0898 -3.26358 63.546000 Cu 0.128938 0.0135848 0.5 447 63.546 0.418134 -3.47723 63.546000 Cu 0.0812464 0.0349267 0.5 465 63.546 0.0293494 -3.53609 63.546000 Cu 0.148319 0.0298379 5.85213e-17 467 63.546 0.0258077 -3.53633 63.546000 Cu 0.19519 0.00929993 1.26175e-16 446 63.546 2.8383 -3.42588 63.546000 Cu 0.26236 0.00524346 0.5 448 63.546 8.89384 -3.35568 63.546000 Cu 0.214338 0.0255057 0.5 469 63.546 0.0834332 -3.53241 63.546000 Cu 0.282613 0.0197055 2.99816e-16 471 63.546 0.348035 -3.47524 63.546000 Cu 0.30027 0.0361825 0.5 474 63.546 0.0320942 -3.53538 63.546000 Cu 0.365606 0.0311561 1.20047e-16 472 63.546 0.045938 -3.53489 63.546000 Cu 0.347536 0.0141679 0.5 473 63.546 0.491259 -3.47203 63.546000 Cu 0.412303 0.0100735 4.57836e-17 475 63.546 2.89012 -3.42488 63.546000 Cu 0.493433 0.0235066 1 476 63.546 0.398689 -3.504 63.546000 Cu 0.479901 0.00611821 0.5 477 63.546 8.89875 -3.34197 63.546000 Cu 0.430104 0.0270033 0.5 478 63.546 0.0259608 -3.53205 63.546000 Cu 0.544766 0.00487241 1.11034e-16 425 63.546 10.0898 -3.26358 63.546000 Cu 0.628938 0.0135848 1.79409e-16 426 63.546 0.418134 -3.47723 63.546000 Cu 0.564522 0.0189081 0.5 427 63.546 0.45297 -3.47092 63.546000 Cu 0.581246 0.0349267 1.4372e-16 430 63.546 0.0293494 -3.53609 63.546000 Cu 0.648319 0.0298379 0.5 432 63.546 0.0258077 -3.53633 63.546000 Cu 0.76236 0.00524346 9.04857e-17 428 63.546 8.89384 -3.35568 63.546000 Cu 0.69519 0.00929993 0.5 429 63.546 2.8383 -3.42588 63.546000 Cu 0.714338 0.0255057 1.3675e-16 434 63.546 0.0834332 -3.53241 63.546000 Cu 0.80027 0.0361825 1.42157e-16 435 63.546 0.0320942 -3.53538 63.546000 Cu 0.782613 0.0197055 0.5 436 63.546 0.348035 -3.47524 63.546000 Cu 0.847536 0.0141679 1 438 63.546 0.491259 -3.47203 63.546000 Cu 0.930104 0.0270033 0 439 63.546 0.0259608 -3.53205 63.546000 Cu 0.912303 0.0100735 0.5 440 63.546 2.89012 -3.42488 63.546000 Cu 0.865606 0.0311561 0.5 441 63.546 0.045938 -3.53489 63.546000 Cu 0.979901 0.00611821 1 442 63.546 8.89875 -3.34197 63.546000 Cu 0.993433 0.0235066 0.5 445 63.546 0.398689 -3.504 63.546000 Cu 0.0147629 0.0392603 1.63667e-16 463 63.546 0.0371534 -3.53835 63.546000 Cu 0.100138 0.0509381 1 464 63.546 0.00339183 -3.53897 63.546000 Cu 0.0334118 0.0556308 0.5 466 63.546 0.00270194 -3.53945 63.546000 Cu 0.166489 0.0461744 0.5 470 63.546 0.00838757 -3.53829 63.546000 Cu 0.0524616 0.0718511 1 494 63.546 0.000463668 -3.5398 63.546000 Cu 0.11883 0.0671354 0.5 496 63.546 0.00122645 -3.5395 63.546000 Cu 0.234186 0.0411284 1 468 63.546 0.0245019 -3.53521 63.546000 Cu 0.185614 0.0622309 2.07889e-17 498 63.546 0.00494914 -3.53891 63.546000 Cu 0.270145 0.0738496 2.39853e-16 499 63.546 0.0022987 -3.53959 63.546000 Cu 0.252032 0.0574358 0.5 500 63.546 0.00648144 -3.53911 63.546000 Cu 0.318161 0.0527007 1.16562e-17 502 63.546 0.00854742 -3.53799 63.546000 Cu 0.335924 0.0692791 0.5 505 63.546 0.00145082 -3.53952 63.546000 Cu 0.401397 0.0648847 1 503 63.546 0.0110507 -3.53882 63.546000 Cu 0.383341 0.0481307 0.5 504 63.546 0.00921778 -3.53725 63.546000 Cu 0.448025 0.0440845 1 506 63.546 0.0702934 -3.53381 63.546000 Cu 0.467474 0.0602621 0.5 509 63.546 0.00514175 -3.53969 63.546000 Cu 0.486189 0.0765921 0 538 63.546 0.000958778 -3.53984 63.546000 Cu 0.514763 0.0392603 0.5 508 63.546 0.0371534 -3.53835 63.546000 Cu 0.666489 0.0461744 2.61844e-16 431 63.546 0.00838757 -3.53829 63.546000 Cu 0.600138 0.0509381 0.5 433 63.546 0.00339183 -3.53897 63.546000 Cu 0.552462 0.0718511 0.5 450 63.546 0.000463668 -3.5398 63.546000 Cu 0.61883 0.0671354 1.0767e-16 451 63.546 0.00122645 -3.5395 63.546000 Cu 0.533412 0.0556308 1 507 63.546 0.00270194 -3.53945 63.546000 Cu 0.734186 0.0411284 0.5 437 63.546 0.0245019 -3.53521 63.546000 Cu 0.685614 0.0622309 0.5 453 63.546 0.00494914 -3.53891 63.546000 Cu 0.752032 0.0574358 8.73613e-17 455 63.546 0.00648144 -3.53911 63.546000 Cu 0.818161 0.0527007 0.5 457 63.546 0.00854742 -3.53799 63.546000 Cu 0.770145 0.0738496 0.5 458 63.546 0.0022987 -3.53959 63.546000 Cu 0.835924 0.0692791 6.66926e-17 456 63.546 0.00145082 -3.53952 63.546000 Cu 0.883341 0.0481307 3.92946e-17 459 63.546 0.00921778 -3.53725 63.546000 Cu 0.967474 0.0602621 0 460 63.546 0.00514175 -3.53969 63.546000 Cu 0.948025 0.0440845 0.5 461 63.546 0.0702934 -3.53381 63.546000 Cu 0.901397 0.0648847 0.5 462 63.546 0.0110507 -3.53882 63.546000 Cu 0.986189 0.0765921 0.5 492 63.546 0.000958778 -3.53984 63.546000 Cu 0.137685 0.0833249 1.1536e-17 495 63.546 0.00112293 -3.5396 63.546000 Cu 0.0712768 0.0881142 0.5 497 63.546 0.000122303 -3.53982 63.546000 Cu 0.0237891 0.109129 0.5 524 63.546 7.55845e-05 -3.53987 63.546000 Cu 0.090046 0.104389 2.01039e-16 526 63.546 0.000345883 -3.53983 63.546000 Cu 0.156241 0.0996505 0.5 528 63.546 0.000726359 -3.53983 63.546000 Cu 0.00502096 0.0928546 1.20167e-19 491 63.546 0.000205733 -3.53985 63.546000 Cu 0.203982 0.0785538 0.5 501 63.546 0.00224799 -3.53965 63.546000 Cu 0.22232 0.0949467 1 530 63.546 0.000833927 -3.53981 63.546000 Cu 0.30664 0.106781 1 531 63.546 0.000450962 -3.53995 63.546000 Cu 0.288274 0.0903281 0.5 532 63.546 0.000417878 -3.53987 63.546000 Cu 0.240716 0.111379 0.5 533 63.546 0.000126967 -3.53994 63.546000 Cu 0.354108 0.0858103 0 534 63.546 0.001982 -3.53983 63.546000 Cu 0.438799 0.0975467 0 535 63.546 0.000482822 -3.53989 63.546000 Cu 0.420145 0.0812179 0.5 536 63.546 0.00137647 -3.53988 63.546000 Cu 0.372677 0.102176 0.5 537 63.546 0.000605361 -3.53994 63.546000 Cu 0.457521 0.113834 0.5 567 63.546 8.72714e-05 -3.53989 63.546000 Cu 0.505021 0.0928546 0.5 539 63.546 0.000205733 -3.53985 63.546000 Cu 0.571277 0.0881142 1.61384e-16 449 63.546 0.000122303 -3.53982 63.546000 Cu 0.637685 0.0833249 0.5 454 63.546 0.00112293 -3.5396 63.546000 Cu 0.590046 0.104389 0.5 480 63.546 0.000345883 -3.53983 63.546000 Cu 0.656241 0.0996505 1.0094e-17 482 63.546 0.000726359 -3.53983 63.546000 Cu 0.523789 0.109129 1 569 63.546 7.55845e-05 -3.53987 63.546000 Cu 0.703982 0.0785538 0 452 63.546 0.00224799 -3.53965 63.546000 Cu 0.740716 0.111379 1 483 63.546 0.000126967 -3.53994 63.546000 Cu 0.72232 0.0949467 0.5 484 63.546 0.000833927 -3.53981 63.546000 Cu 0.788274 0.0903281 5.59978e-17 486 63.546 0.000417878 -3.53987 63.546000 Cu 0.80664 0.106781 0.5 489 63.546 0.000450962 -3.53995 63.546000 Cu 0.872677 0.102176 1.14759e-16 487 63.546 0.000605361 -3.53994 63.546000 Cu 0.854108 0.0858103 0.5 488 63.546 0.001982 -3.53983 63.546000 Cu 0.920145 0.0812179 1 490 63.546 0.00137647 -3.53988 63.546000 Cu 0.938799 0.0975467 0.5 493 63.546 0.000482822 -3.53989 63.546000 Cu 0.957521 0.113834 1 522 63.546 8.72714e-05 -3.53989 63.546000 Cu 0.0424478 0.125425 6.48901e-17 523 63.546 0.00016136 -3.53988 63.546000 Cu 0.108636 0.120717 0.5 529 63.546 0.000275011 -3.53988 63.546000 Cu 0.0609737 0.141763 0.5 555 63.546 5.84347e-05 -3.5399 63.546000 Cu 0.127107 0.137077 9.0726e-17 557 63.546 8.85019e-05 -3.53992 63.546000 Cu 0.145595 0.153447 0.5 560 63.546 4.13205e-05 -3.53994 63.546000 Cu 0.174708 0.11603 7.24606e-17 527 63.546 0.000233367 -3.5399 63.546000 Cu 0.211672 0.148804 1 558 63.546 3.45742e-05 -3.53996 63.546000 Cu 0.193191 0.132416 0.5 559 63.546 6.40308e-05 -3.53994 63.546000 Cu 0.259198 0.127792 1 561 63.546 0.000122636 -3.53996 63.546000 Cu 0.325231 0.123158 0.5 563 63.546 0.000241865 -3.53996 63.546000 Cu 0.277767 0.144158 0.5 564 63.546 9.24574e-05 -3.53996 63.546000 Cu 0.343872 0.139502 8.17135e-18 562 63.546 7.19395e-05 -3.53994 63.546000 Cu 0.391324 0.118511 3.95349e-17 565 63.546 0.00021278 -3.53993 63.546000 Cu 0.476212 0.130135 2.40334e-19 566 63.546 4.70766e-05 -3.5399 63.546000 Cu 0.410009 0.134821 0.5 568 63.546 3.68738e-05 -3.53993 63.546000 Cu 0.428642 0.151154 1.79049e-17 596 63.546 1.89012e-05 -3.53993 63.546000 Cu 0.494807 0.146454 0.5 598 63.546 5.92924e-05 -3.53992 63.546000 Cu 0.608636 0.120717 1 479 63.546 0.000275011 -3.53988 63.546000 Cu 0.542448 0.125425 0.5 481 63.546 0.00016136 -3.53988 63.546000 Cu 0.560974 0.141763 6.88556e-17 510 63.546 5.84347e-05 -3.5399 63.546000 Cu 0.645595 0.153447 2.35527e-17 511 63.546 4.13205e-05 -3.53994 63.546000 Cu 0.627107 0.137077 0.5 512 63.546 8.85019e-05 -3.53992 63.546000 Cu 0.674708 0.11603 0.5 485 63.546 0.000233367 -3.5399 63.546000 Cu 0.693191 0.132416 1.20167e-18 514 63.546 6.40308e-05 -3.53994 63.546000 Cu 0.777767 0.144158 5.05903e-17 515 63.546 9.24574e-05 -3.53996 63.546000 Cu 0.759198 0.127792 0.5 516 63.546 0.000122636 -3.53996 63.546000 Cu 0.711672 0.148804 0.5 517 63.546 3.45742e-05 -3.53996 63.546000 Cu 0.825231 0.123158 2.39372e-16 518 63.546 0.000241865 -3.53996 63.546000 Cu 0.910009 0.134821 1.45883e-16 519 63.546 3.68738e-05 -3.53993 63.546000 Cu 0.891324 0.118511 0.5 520 63.546 0.00021278 -3.53993 63.546000 Cu 0.843872 0.139502 0.5 521 63.546 7.19395e-05 -3.53994 63.546000 Cu 0.976212 0.130135 0.5 525 63.546 4.70766e-05 -3.5399 63.546000 Cu 0.928642 0.151154 0.5 551 63.546 1.89012e-05 -3.53993 63.546000 Cu 0.994807 0.146454 0 553 63.546 5.92924e-05 -3.53992 63.546000 Cu 0.0794988 0.158117 5.79204e-17 554 63.546 5.12047e-05 -3.53994 63.546000 Cu 0.0133722 0.16281 0.5 556 63.546 1.78958e-05 -3.53994 63.546000 Cu 0.0319696 0.17916 0 584 63.546 2.75151e-05 -3.53995 63.546000 Cu 0.116637 0.190858 1 585 63.546 8.3182e-06 -3.53996 63.546000 Cu 0.098061 0.174488 0.5 586 63.546 1.14252e-05 -3.53995 63.546000 Cu 0.164134 0.169823 1 588 63.546 1.29933e-05 -3.53997 63.546000 Cu 0.248831 0.181516 1 589 63.546 1.16985e-05 -3.53996 63.546000 Cu 0.230206 0.165167 0.5 590 63.546 5.93266e-05 -3.53996 63.546000 Cu 0.182707 0.186193 0.5 591 63.546 4.36464e-05 -3.53996 63.546000 Cu 0.29634 0.160504 1 592 63.546 2.41418e-05 -3.53995 63.546000 Cu 0.314943 0.176844 0.5 595 63.546 1.22477e-05 -3.53995 63.546000 Cu 0.381095 0.172172 1 593 63.546 4.86083e-06 -3.53996 63.546000 Cu 0.362492 0.155828 0.5 594 63.546 9.2525e-06 -3.53994 63.546000 Cu 0.447239 0.167492 0.5 599 63.546 5.691e-06 -3.53994 63.546000 Cu 0.399697 0.188524 0.5 626 63.546 8.73896e-06 -3.53996 63.546000 Cu 0.465842 0.183844 7.00573e-17 628 63.546 6.05763e-06 -3.53995 63.546000 Cu 0.579499 0.158117 0.5 513 63.546 5.12047e-05 -3.53994 63.546000 Cu 0.598061 0.174488 2.75423e-16 541 63.546 1.14252e-05 -3.53995 63.546000 Cu 0.664134 0.169823 0.5 543 63.546 1.29933e-05 -3.53997 63.546000 Cu 0.616637 0.190858 0.5 544 63.546 8.3182e-06 -3.53996 63.546000 Cu 0.513372 0.16281 1.62946e-16 597 63.546 1.78958e-05 -3.53994 63.546000 Cu 0.53197 0.17916 0.5 629 63.546 2.75151e-05 -3.53995 63.546000 Cu 0.682707 0.186193 1 542 63.546 4.36464e-05 -3.53996 63.546000 Cu 0.730206 0.165167 0 545 63.546 5.93266e-05 -3.53996 63.546000 Cu 0.814943 0.176844 2.24472e-16 546 63.546 1.22477e-05 -3.53995 63.546000 Cu 0.79634 0.160504 0.5 547 63.546 2.41418e-05 -3.53995 63.546000 Cu 0.748831 0.181516 0.5 548 63.546 1.16985e-05 -3.53996 63.546000 Cu 0.862492 0.155828 0 549 63.546 9.2525e-06 -3.53994 63.546000 Cu 0.947239 0.167492 1 550 63.546 5.691e-06 -3.53994 63.546000 Cu 0.881095 0.172172 0.5 552 63.546 4.86083e-06 -3.53996 63.546000 Cu 0.899697 0.188524 2.40334e-19 580 63.546 8.73896e-06 -3.53996 63.546000 Cu 0.965842 0.183844 0.5 582 63.546 6.05763e-06 -3.53995 63.546000 Cu 0.0505416 0.195529 0.5 587 63.546 6.69545e-06 -3.53996 63.546000 Cu 0.0691162 0.211906 1 616 63.546 1.32748e-05 -3.53996 63.546000 Cu 0.15387 0.223589 1 617 63.546 1.32497e-05 -3.53997 63.546000 Cu 0.135216 0.207229 0.5 618 63.546 2.39662e-05 -3.53997 63.546000 Cu 0.0877195 0.228272 0.5 619 63.546 2.77562e-05 -3.53997 63.546000 Cu 0.00299774 0.216582 0.5 614 63.546 1.11802e-05 -3.53995 63.546000 Cu 0.201366 0.202544 3.20846e-17 620 63.546 2.06777e-05 -3.53996 63.546000 Cu 0.286084 0.214238 0 621 63.546 7.60597e-06 -3.53996 63.546000 Cu 0.267463 0.19787 0.5 622 63.546 1.24479e-05 -3.53997 63.546000 Cu 0.219975 0.218911 0.5 623 63.546 1.50799e-05 -3.53998 63.546000 Cu 0.304708 0.230619 0.5 653 63.546 7.05193e-06 -3.53998 63.546000 Cu 0.333594 0.193193 1 624 63.546 2.97798e-05 -3.53997 63.546000 Cu 0.418326 0.20488 0 625 63.546 3.27375e-05 -3.53996 63.546000 Cu 0.352184 0.209565 0.5 627 63.546 9.22645e-06 -3.53997 63.546000 Cu 0.484441 0.200204 0.5 630 63.546 2.26363e-05 -3.53995 63.546000 Cu 0.37079 0.22594 7.0538e-17 655 63.546 2.20934e-05 -3.53996 63.546000 Cu 0.4369 0.221262 0.5 657 63.546 1.27572e-05 -3.53996 63.546000 Cu 0.502998 0.216582 2.2315e-16 659 63.546 1.11802e-05 -3.53995 63.546000 Cu 0.550542 0.195529 2.22789e-16 540 63.546 6.69545e-06 -3.53996 63.546000 Cu 0.58772 0.228272 1 570 63.546 2.77562e-05 -3.53997 63.546000 Cu 0.569116 0.211906 0.5 571 63.546 1.32748e-05 -3.53996 63.546000 Cu 0.635216 0.207229 7.85892e-17 572 63.546 2.39662e-05 -3.53997 63.546000 Cu 0.65387 0.223589 0.5 575 63.546 1.32497e-05 -3.53997 63.546000 Cu 0.719975 0.218911 6.12851e-17 573 63.546 1.50799e-05 -3.53998 63.546000 Cu 0.701366 0.202544 0.5 574 63.546 2.06777e-05 -3.53996 63.546000 Cu 0.767463 0.19787 1.90705e-16 576 63.546 1.24479e-05 -3.53997 63.546000 Cu 0.786084 0.214238 0.5 579 63.546 7.60597e-06 -3.53996 63.546000 Cu 0.804708 0.230619 3.49686e-17 608 63.546 7.05193e-06 -3.53998 63.546000 Cu 0.833594 0.193193 0.5 578 63.546 2.97798e-05 -3.53997 63.546000 Cu 0.852184 0.209565 7.33018e-17 577 63.546 9.22645e-06 -3.53997 63.546000 Cu 0.984441 0.200204 2.70376e-17 581 63.546 2.26363e-05 -3.53995 63.546000 Cu 0.918326 0.20488 0.5 583 63.546 3.27375e-05 -3.53996 63.546000 Cu 0.87079 0.22594 0.5 610 63.546 2.20934e-05 -3.53996 63.546000 Cu 0.9369 0.221262 7.89497e-17 612 63.546 1.27572e-05 -3.53996 63.546000 Cu 0.0216059 0.23296 0 613 63.546 5.02147e-05 -3.53997 63.546000 Cu 0.0590682 0.265712 1 644 63.546 2.5373e-05 -3.53997 63.546000 Cu 0.0403303 0.24933 0.5 645 63.546 9.80277e-06 -3.53998 63.546000 Cu 0.10641 0.244638 4.20584e-17 647 63.546 5.79549e-05 -3.53997 63.546000 Cu 0.125136 0.261031 0.5 650 63.546 8.73355e-06 -3.53997 63.546000 Cu 0.191166 0.256356 1 648 63.546 3.37748e-05 -3.53998 63.546000 Cu 0.172519 0.239959 0.5 649 63.546 3.92527e-05 -3.53998 63.546000 Cu 0.238596 0.235295 1.3699e-17 651 63.546 1.71938e-05 -3.53997 63.546000 Cu 0.32337 0.247001 1 652 63.546 6.18289e-06 -3.53998 63.546000 Cu 0.25729 0.251672 0.5 654 63.546 1.52712e-05 -3.53998 63.546000 Cu 0.275963 0.268062 1 683 63.546 9.55555e-06 -3.53998 63.546000 Cu 0.455512 0.237643 3.18442e-17 656 63.546 5.08298e-05 -3.53997 63.546000 Cu 0.389479 0.242321 0.5 658 63.546 9.91065e-06 -3.53998 63.546000 Cu 0.342077 0.263381 0.5 685 63.546 1.11445e-05 -3.53998 63.546000 Cu 0.408158 0.258711 3.07627e-17 687 63.546 1.57548e-05 -3.53998 63.546000 Cu 0.474253 0.254024 0.5 689 63.546 7.98525e-06 -3.53997 63.546000 Cu 0.54033 0.24933 1 600 63.546 9.80277e-06 -3.53998 63.546000 Cu 0.625136 0.261031 1 601 63.546 8.73355e-06 -3.53997 63.546000 Cu 0.60641 0.244638 0.5 602 63.546 5.79549e-05 -3.53997 63.546000 Cu 0.559068 0.265712 0.5 603 63.546 2.5373e-05 -3.53997 63.546000 Cu 0.521606 0.23296 0.5 660 63.546 5.02147e-05 -3.53997 63.546000 Cu 0.672519 0.239959 1 604 63.546 3.92527e-05 -3.53998 63.546000 Cu 0.75729 0.251672 1 605 63.546 1.52712e-05 -3.53998 63.546000 Cu 0.738596 0.235295 0.5 606 63.546 1.71938e-05 -3.53997 63.546000 Cu 0.691166 0.256356 0.5 607 63.546 3.37748e-05 -3.53998 63.546000 Cu 0.82337 0.247001 0.5 611 63.546 6.18289e-06 -3.53998 63.546000 Cu 0.775963 0.268062 0.5 637 63.546 9.55555e-06 -3.53998 63.546000 Cu 0.889479 0.242321 1 609 63.546 9.91065e-06 -3.53998 63.546000 Cu 0.955512 0.237643 0.5 615 63.546 5.08298e-05 -3.53997 63.546000 Cu 0.842077 0.263381 4.74659e-17 639 63.546 1.11445e-05 -3.53998 63.546000 Cu 0.908158 0.258711 0.5 641 63.546 1.57548e-05 -3.53998 63.546000 Cu 0.974253 0.254024 1.60663e-16 643 63.546 7.98525e-06 -3.53997 63.546000 Cu 0.0116442 0.286783 1 675 63.546 9.02784e-06 -3.53997 63.546000 Cu 0.09643 0.298487 1.70757e-16 676 63.546 1.57773e-05 -3.53998 63.546000 Cu 0.0777442 0.282107 0.5 677 63.546 1.02903e-05 -3.53997 63.546000 Cu 0.0303153 0.303171 0.5 678 63.546 5.23072e-05 -3.53997 63.546000 Cu 0.143818 0.277423 1 679 63.546 7.89617e-06 -3.53998 63.546000 Cu 0.16254 0.293813 0.5 682 63.546 1.56061e-05 -3.53998 63.546000 Cu 0.228629 0.289122 1 680 63.546 2.28247e-05 -3.53999 63.546000 Cu 0.209893 0.272742 0.5 681 63.546 2.98458e-06 -3.53997 63.546000 Cu 0.29467 0.284446 0.5 686 63.546 1.80694e-05 -3.53998 63.546000 Cu 0.247375 0.305518 0.5 712 63.546 1.74164e-05 -3.53999 63.546000 Cu 0.313411 0.300845 1 714 63.546 1.02616e-05 -3.53999 63.546000 Cu 0.360735 0.279774 6.23666e-17 684 63.546 1.87796e-05 -3.53998 63.546000 Cu 0.492976 0.270404 1.42398e-16 688 63.546 1.60577e-05 -3.53997 63.546000 Cu 0.426841 0.275094 0.5 690 63.546 1.39343e-05 -3.53997 63.546000 Cu 0.379437 0.296161 0.5 716 63.546 4.33816e-05 -3.53998 63.546000 Cu 0.445532 0.291468 1 718 63.546 2.97517e-05 -3.53997 63.546000 Cu 0.577744 0.282107 1.68834e-16 631 63.546 1.02903e-05 -3.53997 63.546000 Cu 0.66254 0.293813 3.54492e-17 632 63.546 1.56061e-05 -3.53998 63.546000 Cu 0.643818 0.277423 0.5 633 63.546 7.89617e-06 -3.53998 63.546000 Cu 0.59643 0.298487 0.5 634 63.546 1.57773e-05 -3.53998 63.546000 Cu 0.530315 0.303171 1 719 63.546 5.23072e-05 -3.53997 63.546000 Cu 0.511644 0.286783 0.5 720 63.546 9.02784e-06 -3.53997 63.546000 Cu 0.709893 0.272742 2.19905e-17 635 63.546 2.98458e-06 -3.53997 63.546000 Cu 0.79467 0.284446 1 636 63.546 1.80694e-05 -3.53998 63.546000 Cu 0.728629 0.289122 0.5 638 63.546 2.28247e-05 -3.53999 63.546000 Cu 0.747375 0.305518 2.40334e-19 667 63.546 1.74164e-05 -3.53999 63.546000 Cu 0.813411 0.300845 0.5 669 63.546 1.02616e-05 -3.53999 63.546000 Cu 0.926841 0.275094 6.28473e-17 640 63.546 1.39343e-05 -3.53997 63.546000 Cu 0.860735 0.279774 0.5 642 63.546 1.87796e-05 -3.53998 63.546000 Cu 0.992976 0.270404 0.5 646 63.546 1.60577e-05 -3.53997 63.546000 Cu 0.879437 0.296161 1.47445e-16 671 63.546 4.33816e-05 -3.53998 63.546000 Cu 0.945532 0.291468 0.5 673 63.546 2.97517e-05 -3.53997 63.546000 Cu 0.0490948 0.319565 1.67392e-16 706 63.546 1.46892e-05 -3.53997 63.546000 Cu 0.13394 0.331253 1.83855e-17 707 63.546 5.5116e-05 -3.53998 63.546000 Cu 0.115164 0.314878 0.5 708 63.546 2.42349e-05 -3.53998 63.546000 Cu 0.0679163 0.335951 0.5 709 63.546 1.10583e-05 -3.53998 63.546000 Cu 0.00182971 0.340656 2.32403e-16 703 63.546 2.85952e-05 -3.53997 63.546000 Cu 0.181283 0.310188 1.20167e-19 710 63.546 1.69958e-05 -3.53998 63.546000 Cu 0.266103 0.321905 1 711 63.546 3.84965e-06 -3.53999 63.546000 Cu 0.20002 0.326574 0.5 713 63.546 2.63514e-05 -3.53999 63.546000 Cu 0.332178 0.317241 0.5 717 63.546 4.08889e-05 -3.53999 63.546000 Cu 0.218815 0.342955 1 742 63.546 0.000102286 -3.53999 63.546000 Cu 0.284857 0.338286 0.5 744 63.546 7.69107e-05 -3.53999 63.546000 Cu 0.398233 0.31255 8.33958e-17 715 63.546 8.07348e-06 -3.53998 63.546000 Cu 0.464263 0.307859 0.5 721 63.546 1.78002e-05 -3.53997 63.546000 Cu 0.350934 0.333624 0 746 63.546 2.2053e-05 -3.53999 63.546000 Cu 0.416984 0.328951 0.5 748 63.546 1.5609e-05 -3.53998 63.546000 Cu 0.483056 0.324258 0 750 63.546 9.43006e-06 -3.53997 63.546000 Cu 0.435735 0.345354 2.13296e-16 747 63.546 8.85526e-05 -3.53997 63.546000 Cu 0.50183 0.340656 0.5 751 63.546 2.85952e-05 -3.53997 63.546000 Cu 0.567916 0.335951 2.18704e-17 661 63.546 1.10583e-05 -3.53998 63.546000 Cu 0.549095 0.319565 0.5 662 63.546 1.46892e-05 -3.53997 63.546000 Cu 0.615164 0.314878 0 663 63.546 2.42349e-05 -3.53998 63.546000 Cu 0.63394 0.331253 0.5 666 63.546 5.5116e-05 -3.53998 63.546000 Cu 0.70002 0.326574 1 664 63.546 2.63514e-05 -3.53999 63.546000 Cu 0.681283 0.310188 0.5 665 63.546 1.69958e-05 -3.53998 63.546000 Cu 0.832178 0.317241 1.4396e-16 668 63.546 4.08889e-05 -3.53999 63.546000 Cu 0.766103 0.321905 0.5 670 63.546 3.84965e-06 -3.53999 63.546000 Cu 0.718815 0.342955 0.5 696 63.546 0.000102286 -3.53999 63.546000 Cu 0.784857 0.338286 2.94409e-16 698 63.546 7.69107e-05 -3.53999 63.546000 Cu 0.964263 0.307859 2.40334e-19 672 63.546 1.78002e-05 -3.53997 63.546000 Cu 0.898233 0.31255 0.5 674 63.546 8.07348e-06 -3.53998 63.546000 Cu 0.850934 0.333624 0.5 700 63.546 2.2053e-05 -3.53999 63.546000 Cu 0.916984 0.328951 3.65307e-17 702 63.546 1.5609e-05 -3.53998 63.546000 Cu 0.983056 0.324258 0.5 704 63.546 9.43006e-06 -3.53997 63.546000 Cu 0.935735 0.345354 0.5 705 63.546 8.85526e-05 -3.53997 63.546000 Cu 0.0395798 0.3734 1 735 63.546 8.05599e-05 -3.53997 63.546000 Cu 0.0206537 0.357032 0.5 736 63.546 4.74595e-05 -3.53997 63.546000 Cu 0.0867738 0.352336 1.12957e-16 738 63.546 5.09741e-05 -3.53998 63.546000 Cu 0.152815 0.347636 0.5 740 63.546 3.93734e-05 -3.53999 63.546000 Cu 0.105728 0.368689 0.5 741 63.546 5.21019e-05 -3.53997 63.546000 Cu 0.17178 0.364011 1 739 63.546 8.24729e-05 -3.53998 63.546000 Cu 0.303731 0.35468 1 743 63.546 0.000110013 -3.53997 63.546000 Cu 0.237789 0.359337 0.5 745 63.546 0.00013376 -3.53996 63.546000 Cu 0.190852 0.380371 0.5 771 63.546 0.000721443 -3.53991 63.546000 Cu 0.256764 0.375754 3.37669e-17 773 63.546 0.000243412 -3.53993 63.546000 Cu 0.322651 0.371115 0.5 775 63.546 8.39559e-05 -3.53993 63.546000 Cu 0.36969 0.350023 0.5 749 63.546 9.3151e-05 -3.53998 63.546000 Cu 0.388546 0.366444 2.38291e-16 777 63.546 0.000180237 -3.53995 63.546000 Cu 0.473482 0.378122 7.73875e-17 778 63.546 0.000113592 -3.53997 63.546000 Cu 0.454548 0.36174 0.5 779 63.546 0.000127825 -3.53996 63.546000 Cu 0.407437 0.38286 0.5 780 63.546 0.00027101 -3.53991 63.546000 Cu 0.605728 0.368689 1 691 63.546 5.21019e-05 -3.53997 63.546000 Cu 0.586774 0.352336 0.5 692 63.546 5.09741e-05 -3.53998 63.546000 Cu 0.53958 0.3734 0.5 693 63.546 8.05599e-05 -3.53997 63.546000 Cu 0.652815 0.347636 2.89602e-17 694 63.546 3.93734e-05 -3.53999 63.546000 Cu 0.520654 0.357032 1 781 63.546 4.74595e-05 -3.53997 63.546000 Cu 0.737789 0.359337 0 695 63.546 0.00013376 -3.53996 63.546000 Cu 0.67178 0.364011 0.5 697 63.546 8.24729e-05 -3.53998 63.546000 Cu 0.803731 0.35468 0.5 701 63.546 0.000110013 -3.53997 63.546000 Cu 0.690852 0.380371 9.361e-17 726 63.546 0.000721443 -3.53991 63.546000 Cu 0.756764 0.375754 0.5 728 63.546 0.000243412 -3.53993 63.546000 Cu 0.822651 0.371115 0 730 63.546 8.39559e-05 -3.53993 63.546000 Cu 0.86969 0.350023 4.95088e-17 699 63.546 9.3151e-05 -3.53998 63.546000 Cu 0.907437 0.38286 1 731 63.546 0.00027101 -3.53991 63.546000 Cu 0.888546 0.366444 0.5 732 63.546 0.000180237 -3.53995 63.546000 Cu 0.954548 0.36174 1 734 63.546 0.000127825 -3.53996 63.546000 Cu 0.973482 0.378122 0.5 737 63.546 0.000113592 -3.53997 63.546000 Cu 0.0777843 0.406079 9.82965e-17 766 63.546 0.000536965 -3.53992 63.546000 Cu 0.0586361 0.389746 0.5 767 63.546 9.10695e-05 -3.53997 63.546000 Cu 0.0116932 0.410821 0.5 768 63.546 0.000139081 -3.53995 63.546000 Cu 0.124752 0.385043 4.38609e-17 769 63.546 0.000230922 -3.53994 63.546000 Cu 0.143881 0.401379 0.5 772 63.546 0.00206055 -3.53981 63.546000 Cu 0.162831 0.417818 1 800 63.546 0.00324307 -3.53967 63.546000 Cu 0.0971524 0.422346 0.5 798 63.546 0.00792155 -3.53929 63.546000 Cu 0.209802 0.39681 2.64367e-17 770 63.546 0.000804713 -3.53986 63.546000 Cu 0.275633 0.392228 0.5 776 63.546 0.000293682 -3.53987 63.546000 Cu 0.228457 0.413308 0.5 802 63.546 0.000716592 -3.53973 63.546000 Cu 0.294236 0.408741 1.2978e-16 804 63.546 0.00211182 -3.5397 63.546000 Cu 0.341483 0.387586 1.1524e-16 774 63.546 0.00060703 -3.53986 63.546000 Cu 0.379235 0.420352 1.27257e-16 805 63.546 0.000770312 -3.53979 63.546000 Cu 0.360286 0.404025 0.5 806 63.546 0.00128755 -3.53975 63.546000 Cu 0.426449 0.399245 7.14993e-17 808 63.546 0.00021097 -3.53994 63.546000 Cu 0.49251 0.394497 0.5 810 63.546 0.000161569 -3.53996 63.546000 Cu 0.44549 0.415604 0.5 811 63.546 0.0005566 -3.53989 63.546000 Cu 0.558636 0.389746 0 722 63.546 9.10695e-05 -3.53997 63.546000 Cu 0.643881 0.401379 4.90281e-17 723 63.546 0.00206055 -3.53981 63.546000 Cu 0.624752 0.385043 0.5 724 63.546 0.000230922 -3.53994 63.546000 Cu 0.577784 0.406079 0.5 725 63.546 0.000536965 -3.53992 63.546000 Cu 0.662831 0.417818 0.5 755 63.546 0.00324307 -3.53967 63.546000 Cu 0.511693 0.410821 0 809 63.546 0.000139081 -3.53995 63.546000 Cu 0.597152 0.422346 1.35789e-17 753 63.546 0.00792155 -3.53929 63.546000 Cu 0.775633 0.392228 5.79204e-17 727 63.546 0.000293682 -3.53987 63.546000 Cu 0.709802 0.39681 0.5 729 63.546 0.000804713 -3.53986 63.546000 Cu 0.728457 0.413308 1.05627e-16 757 63.546 0.000716592 -3.53973 63.546000 Cu 0.794236 0.408741 0.5 759 63.546 0.00211182 -3.5397 63.546000 Cu 0.841483 0.387586 0.5 733 63.546 0.00060703 -3.53986 63.546000 Cu 0.860286 0.404025 5.92423e-17 761 63.546 0.00128755 -3.53975 63.546000 Cu 0.94549 0.415604 1.75564e-16 762 63.546 0.0005566 -3.53989 63.546000 Cu 0.926449 0.399245 0.5 763 63.546 0.00021097 -3.53994 63.546000 Cu 0.879235 0.420352 0.5 764 63.546 0.000770312 -3.53979 63.546000 Cu 0.99251 0.394497 1.9467e-17 765 63.546 0.000161569 -3.53996 63.546000 Cu 0.0309553 0.427143 7.75076e-17 796 63.546 0.00266067 -3.53978 63.546000 Cu 0.116274 0.438862 1.20167e-19 797 63.546 0.0120583 -3.53852 63.546000 Cu 0.0510591 0.443273 0.5 799 63.546 0.0347569 -3.53485 63.546000 Cu 0.135525 0.455629 0.5 826 63.546 0.0507488 -3.5277 63.546000 Cu 0.0706773 0.459913 1 824 63.546 0.116069 -3.5288 63.546000 Cu 0.246705 0.429921 6.23666e-17 801 63.546 0.00753217 -3.53889 63.546000 Cu 0.18138 0.434394 0.5 803 63.546 0.00533548 -3.53865 63.546000 Cu 0.312728 0.425204 0.5 807 63.546 0.00525266 -3.53921 63.546000 Cu 0.199205 0.451306 0 828 63.546 0.0482414 -3.53092 63.546000 Cu 0.264603 0.446437 0.5 830 63.546 0.0254393 -3.53597 63.546000 Cu 0.331635 0.441437 0 832 63.546 0.00439087 -3.53928 63.546000 Cu 0.416806 0.452775 6.78943e-17 833 63.546 0.0189803 -3.53776 63.546000 Cu 0.397995 0.436662 0.5 834 63.546 0.00179702 -3.53914 63.546000 Cu 0.349791 0.457889 0.5 835 63.546 0.0220119 -3.5373 63.546000 Cu 0.464718 0.431864 0 836 63.546 0.0021177 -3.53954 63.546000 Cu 0.483548 0.448119 0.5 838 63.546 0.026629 -3.5357 63.546000 Cu 0.551059 0.443273 2.40334e-19 752 63.546 0.0347569 -3.53485 63.546000 Cu 0.616274 0.438862 0.5 756 63.546 0.0120583 -3.53852 63.546000 Cu 0.635525 0.455629 2.40334e-19 784 63.546 0.0507488 -3.5277 63.546000 Cu 0.530955 0.427143 0.5 837 63.546 0.00266067 -3.53978 63.546000 Cu 0.570677 0.459913 0.5 783 63.546 0.116069 -3.5288 63.546000 Cu 0.68138 0.434394 4.92684e-18 754 63.546 0.00533548 -3.53865 63.546000 Cu 0.812728 0.425204 0 758 63.546 0.00525266 -3.53921 63.546000 Cu 0.746705 0.429921 0.5 760 63.546 0.00753217 -3.53889 63.546000 Cu 0.699205 0.451306 0.5 786 63.546 0.0482414 -3.53092 63.546000 Cu 0.764603 0.446437 0 788 63.546 0.0254393 -3.53597 63.546000 Cu 0.831635 0.441437 0.5 790 63.546 0.00439087 -3.53928 63.546000 Cu 0.849791 0.457889 1 789 63.546 0.0220119 -3.5373 63.546000 Cu 0.897995 0.436662 6.00834e-18 792 63.546 0.00179702 -3.53914 63.546000 Cu 0.983548 0.448119 0 793 63.546 0.026629 -3.5357 63.546000 Cu 0.964718 0.431864 0.5 794 63.546 0.0021177 -3.53954 63.546000 Cu 0.916806 0.452775 0.5 795 63.546 0.0189803 -3.53776 63.546000 Cu 0.0202316 0.479362 1.62466e-16 821 63.546 3.25569 -3.42686 63.546000 Cu 0.153318 0.473656 1.24132e-16 825 63.546 0.588705 -3.44591 63.546000 Cu 0.0915882 0.476506 0.5 827 63.546 0.793113 -3.46285 63.546000 Cu 0.102728 0.494166 2.25914e-17 840 63.546 2.76728 -3.49252 63.546000 Cu 0.00413721 0.463608 0.5 822 63.546 0.177906 -3.51714 63.546000 Cu 0.0345796 0.494172 0.5 839 63.546 7.71698 -3.43328 63.546000 Cu 0.284096 0.46234 1 829 63.546 0.0607217 -3.53595 63.546000 Cu 0.217074 0.468145 0.5 831 63.546 0.398535 -3.47683 63.546000 Cu 0.173965 0.494157 0.5 841 63.546 8.07508 -3.31177 63.546000 Cu 0.237769 0.482993 1 842 63.546 8.85925 -3.36356 63.546000 Cu 0.321166 0.494157 0 843 63.546 8.40139 -3.44223 63.546000 Cu 0.304114 0.478813 0.5 844 63.546 2.84428 -3.42417 63.546000 Cu 0.368575 0.474193 6.1165e-17 845 63.546 0.446919 -3.46938 63.546000 Cu 0.452636 0.483183 1.90465e-16 846 63.546 9.00593 -3.35602 63.546000 Cu 0.433704 0.468911 0.5 847 63.546 0.389597 -3.47186 63.546000 Cu 0.390913 0.49416 0.5 848 63.546 8.35232 -3.37129 63.546000 Cu 0.504137 0.463608 3.60501e-19 849 63.546 0.177906 -3.51714 63.546000 Cu 0.591588 0.476506 0 782 63.546 0.793113 -3.46285 63.546000 Cu 0.653318 0.473656 0.5 787 63.546 0.588705 -3.44591 63.546000 Cu 0.602728 0.494166 0.5 813 63.546 2.76728 -3.49252 63.546000 Cu 0.520232 0.479362 0.5 850 63.546 3.25569 -3.42686 63.546000 Cu 0.53458 0.494172 1 812 63.546 7.71698 -3.43328 63.546000 Cu 0.717074 0.468145 1 785 63.546 0.398535 -3.47683 63.546000 Cu 0.784096 0.46234 0.5 791 63.546 0.0607217 -3.53595 63.546000 Cu 0.673965 0.494157 6.68128e-17 814 63.546 8.07508 -3.31177 63.546000 Cu 0.737769 0.482993 0.5 815 63.546 8.85925 -3.36356 63.546000 Cu 0.804114 0.478813 8.50782e-17 816 63.546 2.84428 -3.42417 63.546000 Cu 0.821166 0.494157 0.5 819 63.546 8.40139 -3.44223 63.546000 Cu 0.890913 0.49416 2.40334e-19 817 63.546 8.35232 -3.37129 63.546000 Cu 0.868575 0.474193 0.5 818 63.546 0.446919 -3.46938 63.546000 Cu 0.933704 0.468911 1 820 63.546 0.389597 -3.47186 63.546000 Cu 0.952636 0.483183 0.5 823 63.546 9.00593 -3.35602 63.546000 Cu 0.0207096 0.508998 3.66749e-16 10 63.546 3.22943 -3.42756 63.546000 Cu 0.0715581 0.528417 3.42476e-17 11 63.546 0.118649 -3.52939 63.546000 Cu 0.0920786 0.511775 0.5 12 63.546 0.79048 -3.4659 63.546000 Cu 0.00495852 0.524747 0.5 13 63.546 0.188731 -3.51711 63.546000 Cu 0.153811 0.514659 1.09592e-16 14 63.546 0.5926 -3.44598 63.546000 Cu 0.136323 0.532663 0.5 17 63.546 0.0479275 -3.52847 63.546000 Cu 0.238084 0.505335 1.20287e-16 1 63.546 8.85935 -3.36067 63.546000 Cu 0.304542 0.509504 0.5 3 63.546 2.81279 -3.42552 63.546000 Cu 0.200122 0.537012 1.20167e-19 15 63.546 0.0465846 -3.53061 63.546000 Cu 0.217729 0.520182 0.5 16 63.546 0.394168 -3.47524 63.546000 Cu 0.284784 0.525971 1 18 63.546 0.0601802 -3.53592 63.546000 Cu 0.368969 0.514111 0 2 63.546 0.453883 -3.4691 63.546000 Cu 0.434332 0.519453 0.5 4 63.546 0.392419 -3.4684 63.546000 Cu 0.350528 0.530415 0.5 20 63.546 0.0238155 -3.53679 63.546000 Cu 0.417718 0.535545 0 22 63.546 0.0202555 -3.53705 63.546000 Cu 0.453051 0.505212 1.26295e-16 24 63.546 8.99623 -3.35225 63.546000 Cu 0.504959 0.524747 1 25 63.546 0.188731 -3.51711 63.546000 Cu 0.52071 0.508998 0.5 26 63.546 3.22943 -3.42756 63.546000 Cu 0.592079 0.511775 1 27 63.546 0.79048 -3.4659 63.546000 Cu 0.636323 0.532663 0 28 63.546 0.0479275 -3.52847 63.546000 Cu 0.653811 0.514659 0.5 29 63.546 0.5926 -3.44598 63.546000 Cu 0.571558 0.528417 0.5 30 63.546 0.118649 -3.52939 63.546000 Cu 0.804542 0.509504 2.76384e-16 5 63.546 2.81279 -3.42552 63.546000 Cu 0.738084 0.505335 0.5 6 63.546 8.85935 -3.36067 63.546000 Cu 0.717729 0.520182 1.45762e-16 31 63.546 0.394168 -3.47524 63.546000 Cu 0.784784 0.525971 0.5 33 63.546 0.0601802 -3.53592 63.546000 Cu 0.700122 0.537012 0.5 34 63.546 0.0465846 -3.53061 63.546000 Cu 0.934332 0.519453 1 7 63.546 0.392419 -3.4684 63.546000 Cu 0.953051 0.505212 0.5 8 63.546 8.99623 -3.35225 63.546000 Cu 0.868969 0.514111 0.5 9 63.546 0.453883 -3.4691 63.546000 Cu 0.850528 0.530415 2.40334e-19 35 63.546 0.0238155 -3.53679 63.546000 Cu 0.917718 0.535545 0.5 37 63.546 0.0202555 -3.53705 63.546000 Cu 0.0323157 0.561169 1.59822e-17 40 63.546 0.00289178 -3.53972 63.546000 Cu 0.0521705 0.545063 0.5 41 63.546 0.0386859 -3.53515 63.546000 Cu 0.117411 0.549434 0 43 63.546 0.0116487 -3.53858 63.546000 Cu 0.0986008 0.565956 0.5 46 63.546 0.00909855 -3.53936 63.546000 Cu 0.16434 0.570453 1.17283e-16 44 63.546 0.00268155 -3.53976 63.546000 Cu 0.265586 0.541875 0.5 21 63.546 0.024588 -3.53551 63.546000 Cu 0.182535 0.553895 0.5 45 63.546 0.00507086 -3.53872 63.546000 Cu 0.247971 0.558375 0 47 63.546 0.00690528 -3.5388 63.546000 Cu 0.314085 0.563083 0.5 49 63.546 0.00497359 -3.53901 63.546000 Cu 0.23007 0.574966 0.5 50 63.546 0.000620361 -3.53978 63.546000 Cu 0.332718 0.54685 7.94303e-17 19 63.546 0.00452834 -3.53916 63.546000 Cu 0.484573 0.540217 0.5 56 63.546 0.0265294 -3.5354 63.546000 Cu 0.399119 0.551621 0.5 23 63.546 0.00223337 -3.53879 63.546000 Cu 0.38066 0.567916 1 51 63.546 0.000765103 -3.53969 63.546000 Cu 0.44702 0.572667 0.5 53 63.546 0.000589753 -3.53977 63.546000 Cu 0.465991 0.556431 1 55 63.546 0.00220098 -3.5395 63.546000 Cu 0.55217 0.545063 3.71316e-17 57 63.546 0.0386859 -3.53515 63.546000 Cu 0.598601 0.565956 5.32339e-17 58 63.546 0.00909855 -3.53936 63.546000 Cu 0.617411 0.549434 0.5 59 63.546 0.0116487 -3.53858 63.546000 Cu 0.532316 0.561169 0.5 60 63.546 0.00289178 -3.53972 63.546000 Cu 0.66434 0.570453 0.5 64 63.546 0.00268155 -3.53976 63.546000 Cu 0.765586 0.541875 1 32 63.546 0.024588 -3.53551 63.546000 Cu 0.682535 0.553895 3.34064e-17 61 63.546 0.00507086 -3.53872 63.546000 Cu 0.73007 0.574966 0 62 63.546 0.000620361 -3.53978 63.546000 Cu 0.747971 0.558375 0.5 63 63.546 0.00690528 -3.5388 63.546000 Cu 0.814085 0.563083 1.88181e-16 65 63.546 0.00497359 -3.53901 63.546000 Cu 0.832718 0.54685 0.5 38 63.546 0.00452834 -3.53916 63.546000 Cu 0.984573 0.540217 8.91638e-17 39 63.546 0.0265294 -3.5354 63.546000 Cu 0.899119 0.551621 1 36 63.546 0.00223337 -3.53879 63.546000 Cu 0.965991 0.556431 0.5 42 63.546 0.00220098 -3.5395 63.546000 Cu 0.88066 0.567916 0.5 67 63.546 0.000765103 -3.53969 63.546000 Cu 0.94702 0.572667 1 69 63.546 0.000589753 -3.53977 63.546000 Cu 0.0133709 0.577463 0.5 71 63.546 0.000140395 -3.53988 63.546000 Cu 0.0796168 0.582206 1.36389e-16 73 63.546 0.000773922 -3.53987 63.546000 Cu 0.127093 0.603218 3.76122e-17 74 63.546 0.000421313 -3.53993 63.546000 Cu 0.145828 0.586894 0.5 75 63.546 0.00242544 -3.53988 63.546000 Cu 0.0608337 0.598509 0.5 76 63.546 0.00010535 -3.5399 63.546000 Cu 0.0421632 0.614822 1 101 63.546 8.00707e-05 -3.53988 63.546000 Cu 0.29594 0.579533 1.60663e-16 48 63.546 0.00182801 -3.53963 63.546000 Cu 0.211802 0.591447 1 77 63.546 0.000649751 -3.53994 63.546000 Cu 0.259281 0.612479 9.61335e-17 78 63.546 0.000201244 -3.53996 63.546000 Cu 0.277706 0.596024 0.5 79 63.546 0.000203267 -3.53989 63.546000 Cu 0.193283 0.607874 0.5 80 63.546 0.000802797 -3.53997 63.546000 Cu 0.428334 0.588995 0 52 63.546 0.000323323 -3.53984 63.546000 Cu 0.362051 0.584234 0.5 54 63.546 0.00131035 -3.53964 63.546000 Cu 0.343663 0.600654 0 81 63.546 0.000543497 -3.53981 63.546000 Cu 0.409738 0.605357 0.5 83 63.546 0.000446282 -3.5398 63.546000 Cu 0.475924 0.610084 0 115 63.546 0.000249305 -3.53985 63.546000 Cu 0.494551 0.593754 0.5 88 63.546 0.000182786 -3.53984 63.546000 Cu 0.513371 0.577463 3.11232e-17 85 63.546 0.000140395 -3.53988 63.546000 Cu 0.560834 0.598509 6.60918e-17 86 63.546 0.00010535 -3.5399 63.546000 Cu 0.579617 0.582206 0.5 87 63.546 0.000773922 -3.53987 63.546000 Cu 0.645828 0.586894 0 89 63.546 0.00242544 -3.53988 63.546000 Cu 0.627093 0.603218 0.5 92 63.546 0.000421313 -3.53993 63.546000 Cu 0.542163 0.614822 0.5 117 63.546 8.00707e-05 -3.53988 63.546000 Cu 0.79594 0.579533 0.5 68 63.546 0.00182801 -3.53963 63.546000 Cu 0.693283 0.607874 2.43939e-17 90 63.546 0.000802797 -3.53997 63.546000 Cu 0.711802 0.591447 0.5 91 63.546 0.000649751 -3.53994 63.546000 Cu 0.777706 0.596024 0 93 63.546 0.000203267 -3.53989 63.546000 Cu 0.759281 0.612479 0.5 96 63.546 0.000201244 -3.53996 63.546000 Cu 0.994551 0.593754 1 70 63.546 0.000182786 -3.53984 63.546000 Cu 0.862051 0.584234 1 66 63.546 0.00131035 -3.53964 63.546000 Cu 0.928334 0.588995 0.5 72 63.546 0.000323323 -3.53984 63.546000 Cu 0.843663 0.600654 0.5 95 63.546 0.000543497 -3.53981 63.546000 Cu 0.909738 0.605357 1.10193e-16 97 63.546 0.000446282 -3.5398 63.546000 Cu 0.975924 0.610084 0.5 99 63.546 0.000249305 -3.53985 63.546000 Cu 0.0898045 0.635868 1 102 63.546 5.34189e-05 -3.53991 63.546000 Cu 0.108423 0.619537 0.5 103 63.546 4.18254e-05 -3.53992 63.546000 Cu 0.023587 0.631162 0.5 104 63.546 0.000108468 -3.53987 63.546000 Cu 0.155998 0.640572 0.5 108 63.546 2.96574e-05 -3.53993 63.546000 Cu 0.00511743 0.64753 1 131 63.546 5.59646e-05 -3.53989 63.546000 Cu 0.0712924 0.652229 0.5 133 63.546 3.1361e-05 -3.5399 63.546000 Cu 0.32527 0.617108 0.5 84 63.546 6.52576e-05 -3.53991 63.546000 Cu 0.174617 0.624228 1 105 63.546 0.000180267 -3.53996 63.546000 Cu 0.222164 0.645253 6.38086e-17 106 63.546 5.01638e-05 -3.53995 63.546000 Cu 0.240754 0.628889 0.5 107 63.546 0.000227346 -3.53997 63.546000 Cu 0.306806 0.633531 1.47805e-17 109 63.546 6.53194e-05 -3.53995 63.546000 Cu 0.288289 0.649923 0.5 112 63.546 6.77923e-05 -3.53996 63.546000 Cu 0.391292 0.621767 9.5052e-17 82 63.546 0.000137849 -3.53986 63.546000 Cu 0.372869 0.638181 0.5 111 63.546 2.24251e-05 -3.53992 63.546000 Cu 0.438962 0.642848 1 113 63.546 3.86747e-05 -3.53989 63.546000 Cu 0.457414 0.626456 0.5 118 63.546 0.000153482 -3.53986 63.546000 Cu 0.523587 0.631162 1.40715e-16 116 63.546 0.000108468 -3.53987 63.546000 Cu 0.608423 0.619537 1.39394e-17 119 63.546 4.18254e-05 -3.53992 63.546000 Cu 0.655998 0.640572 1.10073e-16 120 63.546 2.96574e-05 -3.53993 63.546000 Cu 0.589805 0.635868 0.5 122 63.546 5.34189e-05 -3.53991 63.546000 Cu 0.505117 0.64753 0.5 147 63.546 5.59646e-05 -3.53989 63.546000 Cu 0.571292 0.652229 3.77324e-17 148 63.546 3.1361e-05 -3.5399 63.546000 Cu 0.82527 0.617108 1.66431e-16 94 63.546 6.52576e-05 -3.53991 63.546000 Cu 0.674617 0.624228 0.5 121 63.546 0.000180267 -3.53996 63.546000 Cu 0.740754 0.628889 1.7268e-16 123 63.546 0.000227346 -3.53997 63.546000 Cu 0.788289 0.649923 4.36206e-17 124 63.546 6.77923e-05 -3.53996 63.546000 Cu 0.806806 0.633531 0.5 125 63.546 6.53194e-05 -3.53995 63.546000 Cu 0.722164 0.645253 0.5 126 63.546 5.01638e-05 -3.53995 63.546000 Cu 0.957414 0.626456 4.77063e-17 98 63.546 0.000153482 -3.53986 63.546000 Cu 0.891292 0.621767 0.5 100 63.546 0.000137849 -3.53986 63.546000 Cu 0.872869 0.638181 1.19446e-16 127 63.546 2.24251e-05 -3.53992 63.546000 Cu 0.938962 0.642848 0.5 129 63.546 3.86747e-05 -3.53989 63.546000 Cu 0.052764 0.668601 1 132 63.546 1.62005e-05 -3.53992 63.546000 Cu 0.137439 0.656917 1 135 63.546 3.29429e-05 -3.53993 63.546000 Cu 0.118897 0.673293 0.5 138 63.546 1.35925e-05 -3.53994 63.546000 Cu 0.0342183 0.68499 0.5 162 63.546 1.70325e-05 -3.53994 63.546000 Cu 0.100331 0.689667 1 164 63.546 1.43788e-06 -3.53994 63.546000 Cu 0.185013 0.677967 0 136 63.546 2.2366e-05 -3.53994 63.546000 Cu 0.203597 0.661611 0.5 137 63.546 7.59009e-06 -3.53994 63.546000 Cu 0.26974 0.666289 2.31081e-16 139 63.546 1.85976e-05 -3.53995 63.546000 Cu 0.317306 0.687327 7.13791e-17 140 63.546 1.3158e-05 -3.53995 63.546000 Cu 0.251161 0.68265 0.5 142 63.546 4.06202e-06 -3.53996 63.546000 Cu 0.354398 0.65458 0 110 63.546 2.86009e-05 -3.53995 63.546000 Cu 0.420504 0.659243 0.5 114 63.546 1.80386e-05 -3.53993 63.546000 Cu 0.335862 0.670958 0.5 141 63.546 1.26804e-05 -3.53996 63.546000 Cu 0.401976 0.675628 2.26394e-16 143 63.546 4.94164e-06 -3.53995 63.546000 Cu 0.383419 0.692002 0.5 145 63.546 6.86793e-06 -3.53996 63.546000 Cu 0.486641 0.663922 1 146 63.546 1.98437e-05 -3.53991 63.546000 Cu 0.468097 0.680301 0.5 176 63.546 8.62877e-06 -3.53995 63.546000 Cu 0.618897 0.673293 1 149 63.546 1.35925e-05 -3.53994 63.546000 Cu 0.637439 0.656917 0.5 150 63.546 3.29429e-05 -3.53993 63.546000 Cu 0.552764 0.668601 0.5 151 63.546 1.62005e-05 -3.53992 63.546000 Cu 0.534218 0.68499 1 177 63.546 1.70325e-05 -3.53994 63.546000 Cu 0.600331 0.689667 0.5 179 63.546 1.43788e-06 -3.53994 63.546000 Cu 0.703597 0.661611 1.96954e-16 152 63.546 7.59009e-06 -3.53994 63.546000 Cu 0.751161 0.68265 6.72935e-17 153 63.546 4.06202e-06 -3.53996 63.546000 Cu 0.76974 0.666289 0.5 154 63.546 1.85976e-05 -3.53995 63.546000 Cu 0.685013 0.677967 0.5 155 63.546 2.2366e-05 -3.53994 63.546000 Cu 0.817306 0.687327 0.5 159 63.546 1.3158e-05 -3.53995 63.546000 Cu 0.854398 0.65458 0.5 130 63.546 2.86009e-05 -3.53995 63.546000 Cu 0.920504 0.659243 3.84534e-18 128 63.546 1.80386e-05 -3.53993 63.546000 Cu 0.986641 0.663922 0.5 134 63.546 1.98437e-05 -3.53991 63.546000 Cu 0.835862 0.670958 5.51566e-17 156 63.546 1.26804e-05 -3.53996 63.546000 Cu 0.883419 0.692002 1.13918e-16 157 63.546 6.86793e-06 -3.53996 63.546000 Cu 0.901976 0.675628 0.5 158 63.546 4.94164e-06 -3.53995 63.546000 Cu 0.968097 0.680301 0 160 63.546 8.62877e-06 -3.53995 63.546000 Cu 0.0156334 0.701359 1 161 63.546 9.54427e-06 -3.53994 63.546000 Cu 0.147911 0.710728 1.11755e-17 165 63.546 1.30094e-05 -3.53994 63.546000 Cu 0.0817662 0.706043 0.5 167 63.546 2.45085e-06 -3.53994 63.546000 Cu 0.0632066 0.722423 0 193 63.546 1.69988e-05 -3.53995 63.546000 Cu 0.129337 0.727109 0.5 195 63.546 4.05593e-05 -3.53995 63.546000 Cu 0.166448 0.694346 0.5 166 63.546 3.92658e-06 -3.53995 63.546000 Cu 0.23258 0.699018 1 168 63.546 1.65615e-05 -3.53995 63.546000 Cu 0.280126 0.720082 1 169 63.546 7.6039e-06 -3.53996 63.546000 Cu 0.298691 0.703696 0.5 170 63.546 1.83112e-05 -3.53996 63.546000 Cu 0.214018 0.715404 0.5 171 63.546 6.44819e-06 -3.53995 63.546000 Cu 0.449529 0.696682 1 144 63.546 1.65583e-06 -3.53995 63.546000 Cu 0.364838 0.708382 9.85369e-18 172 63.546 6.85885e-06 -3.53996 63.546000 Cu 0.412367 0.729436 0 173 63.546 2.07041e-05 -3.53997 63.546000 Cu 0.430946 0.71306 0.5 174 63.546 3.09429e-06 -3.53995 63.546000 Cu 0.34622 0.724756 0.5 175 63.546 1.62349e-05 -3.53996 63.546000 Cu 0.497085 0.71774 2.89602e-17 206 63.546 6.97094e-06 -3.53995 63.546000 Cu 0.581766 0.706043 7.47438e-17 178 63.546 2.45085e-06 -3.53994 63.546000 Cu 0.515633 0.701359 0.5 180 63.546 9.54427e-06 -3.53994 63.546000 Cu 0.647911 0.710728 0.5 184 63.546 1.30094e-05 -3.53994 63.546000 Cu 0.563207 0.722423 0.5 208 63.546 1.69988e-05 -3.53995 63.546000 Cu 0.629337 0.727109 5.20323e-17 210 63.546 4.05593e-05 -3.53995 63.546000 Cu 0.666448 0.694346 1 181 63.546 3.92658e-06 -3.53995 63.546000 Cu 0.714018 0.715404 0 182 63.546 6.44819e-06 -3.53995 63.546000 Cu 0.73258 0.699018 0.5 183 63.546 1.65615e-05 -3.53995 63.546000 Cu 0.798691 0.703696 0 185 63.546 1.83112e-05 -3.53996 63.546000 Cu 0.780126 0.720082 0.5 188 63.546 7.6039e-06 -3.53996 63.546000 Cu 0.997085 0.71774 0.5 191 63.546 6.97094e-06 -3.53995 63.546000 Cu 0.949529 0.696682 0.5 163 63.546 1.65583e-06 -3.53995 63.546000 Cu 0.84622 0.724756 4.77063e-17 186 63.546 1.62349e-05 -3.53996 63.546000 Cu 0.864838 0.708382 0.5 187 63.546 6.85885e-06 -3.53996 63.546000 Cu 0.930946 0.71306 1.54054e-16 189 63.546 3.09429e-06 -3.53995 63.546000 Cu 0.912367 0.729436 0.5 192 63.546 2.07041e-05 -3.53997 63.546000 Cu 0.110649 0.743492 1 194 63.546 1.20576e-05 -3.53997 63.546000 Cu 0.0445914 0.738802 0.5 196 63.546 5.77664e-05 -3.53997 63.546000 Cu 0.0258369 0.755185 1.25334e-16 222 63.546 7.9494e-06 -3.53998 63.546000 Cu 0.0919165 0.75987 0.5 224 63.546 1.08177e-05 -3.53998 63.546000 Cu 0.158023 0.764553 1 226 63.546 2.80959e-06 -3.53998 63.546000 Cu 0.195433 0.731798 1 197 63.546 4.30207e-05 -3.53997 63.546000 Cu 0.242849 0.752855 1 198 63.546 7.19743e-06 -3.53998 63.546000 Cu 0.261534 0.736473 0.5 199 63.546 3.05693e-05 -3.53996 63.546000 Cu 0.176755 0.748177 0.5 200 63.546 1.05386e-05 -3.53998 63.546000 Cu 0.327621 0.741142 1 201 63.546 1.54979e-05 -3.53998 63.546000 Cu 0.308967 0.757531 0.5 204 63.546 3.17636e-05 -3.53998 63.546000 Cu 0.374997 0.762203 3.08829e-17 202 63.546 7.33051e-06 -3.53998 63.546000 Cu 0.393717 0.745813 0.5 203 63.546 3.63513e-05 -3.53997 63.546000 Cu 0.441066 0.766882 0.5 205 63.546 1.017e-05 -3.53998 63.546000 Cu 0.478487 0.734117 0.5 209 63.546 4.90172e-05 -3.53996 63.546000 Cu 0.459771 0.750494 2.18704e-17 236 63.546 1.39543e-05 -3.53998 63.546000 Cu 0.544591 0.738802 4.83071e-17 207 63.546 5.77664e-05 -3.53997 63.546000 Cu 0.610649 0.743492 0.5 213 63.546 1.20576e-05 -3.53997 63.546000 Cu 0.525837 0.755185 0.5 238 63.546 7.9494e-06 -3.53998 63.546000 Cu 0.591917 0.75987 1.06588e-16 239 63.546 1.08177e-05 -3.53998 63.546000 Cu 0.658023 0.764553 0.5 241 63.546 2.80959e-06 -3.53998 63.546000 Cu 0.676755 0.748177 1.83855e-17 211 63.546 1.05386e-05 -3.53998 63.546000 Cu 0.695433 0.731798 0.5 212 63.546 4.30207e-05 -3.53997 63.546000 Cu 0.761534 0.736473 4.68651e-18 214 63.546 3.05693e-05 -3.53996 63.546000 Cu 0.808967 0.757531 1.05386e-16 215 63.546 3.17636e-05 -3.53998 63.546000 Cu 0.827621 0.741142 0.5 216 63.546 1.54979e-05 -3.53998 63.546000 Cu 0.742849 0.752855 0.5 217 63.546 7.19743e-06 -3.53998 63.546000 Cu 0.978487 0.734117 0 190 63.546 4.90172e-05 -3.53996 63.546000 Cu 0.893717 0.745813 1 218 63.546 3.63513e-05 -3.53997 63.546000 Cu 0.941066 0.766882 1 219 63.546 1.017e-05 -3.53998 63.546000 Cu 0.959771 0.750494 0.5 220 63.546 1.39543e-05 -3.53998 63.546000 Cu 0.874997 0.762203 0.5 221 63.546 7.33051e-06 -3.53998 63.546000 Cu 0.073239 0.776251 8.29152e-18 223 63.546 5.16937e-06 -3.53997 63.546000 Cu 0.00712358 0.771562 0.5 225 63.546 2.6183e-05 -3.53997 63.546000 Cu 0.139315 0.780934 0.5 229 63.546 7.06995e-06 -3.53998 63.546000 Cu 0.0545556 0.792626 0.5 253 63.546 2.24838e-05 -3.53998 63.546000 Cu 0.120616 0.797315 0 255 63.546 1.86628e-05 -3.53998 63.546000 Cu 0.224144 0.769236 0.5 228 63.546 6.21889e-06 -3.53998 63.546000 Cu 0.205403 0.785617 1.6595e-16 227 63.546 7.43952e-06 -3.53999 63.546000 Cu 0.290227 0.773918 1 230 63.546 7.59106e-06 -3.53998 63.546000 Cu 0.271484 0.790297 0.5 233 63.546 1.04873e-05 -3.53999 63.546000 Cu 0.18665 0.801994 0.5 257 63.546 8.49172e-06 -3.53999 63.546000 Cu 0.252716 0.806666 1.12957e-16 259 63.546 1.09256e-05 -3.53999 63.546000 Cu 0.3376 0.794976 1 231 63.546 4.47329e-05 -3.53999 63.546000 Cu 0.356321 0.778596 0.5 232 63.546 1.71609e-05 -3.53999 63.546000 Cu 0.422396 0.783269 3.37669e-17 234 63.546 1.06592e-05 -3.53998 63.546000 Cu 0.403688 0.799646 0.5 235 63.546 3.7505e-05 -3.53999 63.546000 Cu 0.469767 0.804323 1 267 63.546 4.19916e-05 -3.53999 63.546000 Cu 0.48849 0.787943 0.5 268 63.546 2.6868e-05 -3.53998 63.546000 Cu 0.507124 0.771562 1 237 63.546 2.6183e-05 -3.53997 63.546000 Cu 0.639315 0.780934 1.50209e-16 240 63.546 7.06995e-06 -3.53998 63.546000 Cu 0.573239 0.776251 0.5 242 63.546 5.16937e-06 -3.53997 63.546000 Cu 0.554556 0.792626 2.41535e-16 269 63.546 2.24838e-05 -3.53998 63.546000 Cu 0.620616 0.797315 0.5 271 63.546 1.86628e-05 -3.53998 63.546000 Cu 0.724144 0.769236 0 243 63.546 6.21889e-06 -3.53998 63.546000 Cu 0.771484 0.790297 8.08723e-17 244 63.546 1.04873e-05 -3.53999 63.546000 Cu 0.790227 0.773918 0.5 245 63.546 7.59106e-06 -3.53998 63.546000 Cu 0.705403 0.785617 0.5 246 63.546 7.43952e-06 -3.53999 63.546000 Cu 0.68665 0.801994 1.27016e-16 273 63.546 8.49172e-06 -3.53999 63.546000 Cu 0.752716 0.806666 0.5 275 63.546 1.09256e-05 -3.53999 63.546000 Cu 0.856321 0.778596 1.42758e-16 247 63.546 1.71609e-05 -3.53999 63.546000 Cu 0.903688 0.799646 4.32601e-17 248 63.546 3.7505e-05 -3.53999 63.546000 Cu 0.922396 0.783269 0.5 249 63.546 1.06592e-05 -3.53998 63.546000 Cu 0.8376 0.794976 0.5 250 63.546 4.47329e-05 -3.53999 63.546000 Cu 0.98849 0.787943 5.59978e-17 251 63.546 2.6868e-05 -3.53998 63.546000 Cu 0.969767 0.804323 0.5 254 63.546 4.19916e-05 -3.53999 63.546000 Cu 0.0357967 0.809003 1.41917e-16 252 63.546 4.61997e-06 -3.53999 63.546000 Cu 0.101851 0.81369 0.5 258 63.546 3.18855e-06 -3.53999 63.546000 Cu 0.0170148 0.825376 0.5 283 63.546 9.26775e-06 -3.53999 63.546000 Cu 0.0830771 0.830063 3.48484e-18 285 63.546 8.54266e-06 -3.53999 63.546000 Cu 0.149129 0.834752 0.5 287 63.546 3.1197e-05 -3.53999 63.546000 Cu 0.167895 0.818371 1.08511e-16 256 63.546 1.06562e-05 -3.53999 63.546000 Cu 0.299967 0.8277 1 260 63.546 2.53011e-05 -3.53999 63.546000 Cu 0.318791 0.811336 0.5 261 63.546 7.44841e-06 -3.53999 63.546000 Cu 0.233941 0.823036 0.5 262 63.546 1.15731e-05 -3.53999 63.546000 Cu 0.215139 0.839417 6.93363e-17 289 63.546 1.96219e-05 -3.53999 63.546000 Cu 0.281169 0.844071 0.5 291 63.546 6.75213e-05 -3.53998 63.546000 Cu 0.384873 0.816015 1 263 63.546 5.61963e-06 -3.53999 63.546000 Cu 0.432111 0.837052 1 264 63.546 1.17868e-05 -3.53999 63.546000 Cu 0.450934 0.820691 0.5 265 63.546 5.33999e-06 -3.53999 63.546000 Cu 0.366046 0.832372 0.5 266 63.546 1.19211e-05 -3.53999 63.546000 Cu 0.498198 0.841743 0.5 300 63.546 3.4205e-05 -3.53999 63.546000 Cu 0.601851 0.81369 4.04962e-17 270 63.546 3.18855e-06 -3.53999 63.546000 Cu 0.535797 0.809003 0.5 272 63.546 4.61997e-06 -3.53999 63.546000 Cu 0.517015 0.825376 0 297 63.546 9.26775e-06 -3.53999 63.546000 Cu 0.583077 0.830063 0.5 299 63.546 8.54266e-06 -3.53999 63.546000 Cu 0.649129 0.834752 0 301 63.546 3.1197e-05 -3.53999 63.546000 Cu 0.733941 0.823036 6.52506e-17 274 63.546 1.15731e-05 -3.53999 63.546000 Cu 0.667895 0.818371 0.5 276 63.546 1.06562e-05 -3.53999 63.546000 Cu 0.818791 0.811336 2.62685e-16 277 63.546 7.44841e-06 -3.53999 63.546000 Cu 0.799967 0.8277 0.5 280 63.546 2.53011e-05 -3.53999 63.546000 Cu 0.715139 0.839417 0.5 303 63.546 1.96219e-05 -3.53999 63.546000 Cu 0.781169 0.844071 1 305 63.546 6.75213e-05 -3.53998 63.546000 Cu 0.998198 0.841743 3.41274e-17 282 63.546 3.4205e-05 -3.53999 63.546000 Cu 0.866046 0.832372 1.25695e-16 278 63.546 1.19211e-05 -3.53999 63.546000 Cu 0.884873 0.816015 0.5 279 63.546 5.61963e-06 -3.53999 63.546000 Cu 0.950934 0.820691 1.60543e-16 281 63.546 5.33999e-06 -3.53999 63.546000 Cu 0.932111 0.837052 0.5 284 63.546 1.17868e-05 -3.53999 63.546000 Cu 0.130328 0.851135 2.40334e-19 286 63.546 7.01668e-05 -3.53999 63.546000 Cu 0.0642746 0.846441 0.5 288 63.546 5.44492e-05 -3.53999 63.546000 Cu 0.045402 0.862798 2.46342e-17 313 63.546 0.000122608 -3.53998 63.546000 Cu 0.0925448 0.883863 7.1259e-17 314 63.546 0.000412194 -3.53996 63.546000 Cu 0.111465 0.867512 0.5 315 63.546 0.000183964 -3.53998 63.546000 Cu 0.0263856 0.879116 0.5 316 63.546 0.00011235 -3.53995 63.546000 Cu 0.262249 0.860452 9.26487e-17 290 63.546 8.25744e-05 -3.53996 63.546000 Cu 0.196326 0.855808 0.5 292 63.546 6.13545e-05 -3.53999 63.546000 Cu 0.328206 0.86509 0.5 296 63.546 0.000148526 -3.53993 63.546000 Cu 0.177477 0.872211 5.50364e-17 317 63.546 0.000222551 -3.53997 63.546000 Cu 0.243366 0.876869 0.5 319 63.546 0.000133266 -3.53995 63.546000 Cu 0.309196 0.881475 1 321 63.546 0.000466927 -3.53989 63.546000 Cu 0.347178 0.848724 0 293 63.546 0.000104366 -3.53997 63.546000 Cu 0.394179 0.869734 1.17283e-16 294 63.546 0.000178302 -3.53992 63.546000 Cu 0.413241 0.853402 0.5 295 63.546 9.52726e-05 -3.53997 63.546000 Cu 0.479292 0.858088 1.46604e-16 327 63.546 6.20585e-05 -3.53997 63.546000 Cu 0.460274 0.874413 0.5 330 63.546 8.61597e-05 -3.53993 63.546000 Cu 0.564275 0.846441 1 298 63.546 5.44492e-05 -3.53999 63.546000 Cu 0.630328 0.851135 0.5 304 63.546 7.01668e-05 -3.53999 63.546000 Cu 0.526386 0.879116 9.04857e-17 328 63.546 0.00011235 -3.53995 63.546000 Cu 0.545402 0.862798 0.5 329 63.546 0.000122608 -3.53998 63.546000 Cu 0.611465 0.867512 3.98954e-17 331 63.546 0.000183964 -3.53998 63.546000 Cu 0.592545 0.883863 0.5 334 63.546 0.000412194 -3.53996 63.546000 Cu 0.696326 0.855808 9.37302e-17 302 63.546 6.13545e-05 -3.53999 63.546000 Cu 0.828206 0.86509 0 306 63.546 0.000148526 -3.53993 63.546000 Cu 0.762249 0.860452 0.5 308 63.546 8.25744e-05 -3.53996 63.546000 Cu 0.677477 0.872211 0.5 333 63.546 0.000222551 -3.53997 63.546000 Cu 0.743366 0.876869 2.79989e-17 335 63.546 0.000133266 -3.53995 63.546000 Cu 0.809196 0.881475 0.5 337 63.546 0.000466927 -3.53989 63.546000 Cu 0.847178 0.848724 0.5 307 63.546 0.000104366 -3.53997 63.546000 Cu 0.913241 0.853402 1.06949e-16 309 63.546 9.52726e-05 -3.53997 63.546000 Cu 0.960274 0.874413 1.25094e-16 310 63.546 8.61597e-05 -3.53993 63.546000 Cu 0.979292 0.858088 0.5 311 63.546 6.20585e-05 -3.53997 63.546000 Cu 0.894179 0.869734 0.5 312 63.546 0.000178302 -3.53992 63.546000 Cu 0.15859 0.888606 0.5 320 63.546 0.000652157 -3.53995 63.546000 Cu 0.00722954 0.895419 0 343 63.546 0.00017046 -3.5399 63.546000 Cu 0.0541157 0.916438 4.03761e-17 344 63.546 0.000602933 -3.53984 63.546000 Cu 0.0733667 0.90015 0.5 345 63.546 0.000172383 -3.53991 63.546000 Cu 0.139649 0.904953 1.65229e-16 347 63.546 0.00116526 -3.53981 63.546000 Cu 0.120402 0.921162 0.5 350 63.546 0.00127537 -3.53958 63.546000 Cu 0.224583 0.893321 0 318 63.546 0.000881599 -3.53991 63.546000 Cu 0.290404 0.897945 0.5 324 63.546 0.000434596 -3.53988 63.546000 Cu 0.205824 0.909733 0.5 349 63.546 0.00230586 -3.53982 63.546000 Cu 0.2719 0.914441 0 351 63.546 0.00230249 -3.53974 63.546000 Cu 0.35614 0.902471 1 322 63.546 0.0020157 -3.53972 63.546000 Cu 0.375119 0.886088 0.5 323 63.546 0.000554049 -3.53988 63.546000 Cu 0.441122 0.890725 0 325 63.546 0.000397381 -3.53987 63.546000 Cu 0.422057 0.907072 0.5 326 63.546 0.00134244 -3.53984 63.546000 Cu 0.337582 0.919019 0.5 353 63.546 0.00142198 -3.53951 63.546000 Cu 0.488009 0.911703 0 358 63.546 0.000805233 -3.53978 63.546000 Cu 0.65859 0.888606 1.20167e-19 332 63.546 0.000652157 -3.53995 63.546000 Cu 0.50723 0.895419 0.5 359 63.546 0.00017046 -3.5399 63.546000 Cu 0.573367 0.90015 1 360 63.546 0.000172383 -3.53991 63.546000 Cu 0.620402 0.921162 0 361 63.546 0.00127537 -3.53958 63.546000 Cu 0.639649 0.904953 0.5 362 63.546 0.00116526 -3.53981 63.546000 Cu 0.554116 0.916438 0.5 363 63.546 0.000602933 -3.53984 63.546000 Cu 0.790404 0.897945 5.38348e-17 336 63.546 0.000434596 -3.53988 63.546000 Cu 0.724583 0.893321 0.5 338 63.546 0.000881599 -3.53991 63.546000 Cu 0.705824 0.909733 1.97434e-16 364 63.546 0.00230586 -3.53982 63.546000 Cu 0.7719 0.914441 0.5 366 63.546 0.00230249 -3.53974 63.546000 Cu 0.875119 0.886088 1 339 63.546 0.000554049 -3.53988 63.546000 Cu 0.922057 0.907072 1.7268e-16 340 63.546 0.00134244 -3.53984 63.546000 Cu 0.941122 0.890725 0.5 341 63.546 0.000397381 -3.53987 63.546000 Cu 0.85614 0.902471 0.5 342 63.546 0.0020157 -3.53972 63.546000 Cu 0.988009 0.911703 0.5 346 63.546 0.000805233 -3.53978 63.546000 Cu 0.837582 0.919019 3.12434e-17 368 63.546 0.00142198 -3.53951 63.546000 Cu 0.015837 0.949061 2.09451e-16 373 63.546 0.0368354 -3.53827 63.546000 Cu 0.0347362 0.932673 0.5 374 63.546 0.00327637 -3.53923 63.546000 Cu 0.101419 0.937365 1 376 63.546 0.00363365 -3.53906 63.546000 Cu 0.149291 0.958471 1.20167e-19 377 63.546 0.0247877 -3.53667 63.546000 Cu 0.0822703 0.953375 0.5 379 63.546 0.0301277 -3.53611 63.546000 Cu 0.187095 0.92607 3.49686e-17 348 63.546 0.00477926 -3.53921 63.546000 Cu 0.319467 0.935611 7.8469e-17 352 63.546 0.00795165 -3.53827 63.546000 Cu 0.253454 0.930874 0.5 354 63.546 0.00661143 -3.53935 63.546000 Cu 0.167718 0.942141 0.5 378 63.546 0.00794935 -3.53835 63.546000 Cu 0.235322 0.947193 2.40334e-19 380 63.546 0.024279 -3.53571 63.546000 Cu 0.301358 0.952138 0.5 382 63.546 0.0317993 -3.53604 63.546000 Cu 0.40293 0.923429 3.76122e-17 355 63.546 0.0108374 -3.53862 63.546000 Cu 0.449193 0.944254 2.10893e-16 356 63.546 0.0675098 -3.53337 63.546000 Cu 0.384604 0.940198 0.5 357 63.546 0.00934467 -3.53714 63.546000 Cu 0.366574 0.957176 1.17283e-16 384 63.546 0.0449644 -3.53508 63.546000 Cu 0.468899 0.928051 0.5 388 63.546 0.00480935 -3.53969 63.546000 Cu 0.431057 0.961347 0.5 386 63.546 0.0247352 -3.53179 63.546000 Cu 0.534736 0.932673 2.2291e-16 389 63.546 0.00327637 -3.53923 63.546000 Cu 0.58227 0.953375 4.80668e-18 390 63.546 0.0301277 -3.53611 63.546000 Cu 0.601419 0.937365 0.5 391 63.546 0.00363365 -3.53906 63.546000 Cu 0.515837 0.949061 0.5 392 63.546 0.0368354 -3.53827 63.546000 Cu 0.649291 0.958471 0.5 396 63.546 0.0247877 -3.53667 63.546000 Cu 0.753454 0.930874 1 365 63.546 0.00661143 -3.53935 63.546000 Cu 0.687095 0.92607 0.5 367 63.546 0.00477926 -3.53921 63.546000 Cu 0.819467 0.935611 0.5 371 63.546 0.00795165 -3.53827 63.546000 Cu 0.667718 0.942141 2.19425e-16 393 63.546 0.00794935 -3.53835 63.546000 Cu 0.735322 0.947193 0.5 395 63.546 0.024279 -3.53571 63.546000 Cu 0.801358 0.952138 7.93102e-17 397 63.546 0.0317993 -3.53604 63.546000 Cu 0.884604 0.940198 1.3699e-17 369 63.546 0.00934467 -3.53714 63.546000 Cu 0.90293 0.923429 0.5 370 63.546 0.0108374 -3.53862 63.546000 Cu 0.968899 0.928051 4.85474e-17 372 63.546 0.00480935 -3.53969 63.546000 Cu 0.949193 0.944254 0.5 375 63.546 0.0675098 -3.53337 63.546000 Cu 0.866574 0.957176 0.5 399 63.546 0.0449644 -3.53508 63.546000 Cu 0.931057 0.961347 6.57313e-17 401 63.546 0.0247352 -3.53179 63.546000 Cu 0.0653112 0.969412 7.198e-17 405 63.546 0.457486 -3.4725 63.546000 Cu 0.10867 0.994167 2.43939e-17 406 63.546 7.65259 -3.40994 63.546000 Cu 0.129678 0.974699 0.5 407 63.546 0.414964 -3.47568 63.546000 Cu 0.0455174 0.983464 0.5 408 63.546 10.316 -3.26808 63.546000 Cu 0.283377 0.968634 4.80668e-19 381 63.546 0.348971 -3.47763 63.546000 Cu 0.21525 0.962822 0.5 383 63.546 0.0810623 -3.53233 63.546000 Cu 0.195796 0.97905 0 409 63.546 2.88132 -3.42352 63.546000 Cu 0.26281 0.983106 0.5 410 63.546 8.88759 -3.35934 63.546000 Cu 0.179037 0.994164 0.5 411 63.546 8.1255 -3.4409 63.546000 Cu 0.326683 0.994164 1 412 63.546 8.13035 -3.34848 63.546000 Cu 0.41301 0.978283 2.82392e-17 385 63.546 2.95525 -3.42233 63.546000 Cu 0.348101 0.974148 0.5 387 63.546 0.484091 -3.47215 63.546000 Cu 0.397758 0.994168 0.5 413 63.546 8.26943 -3.43668 63.546000 Cu 0.480445 0.982257 0.5 417 63.546 8.90634 -3.34013 63.546000 Cu 0.494341 0.964843 1 414 63.546 0.390557 -3.50265 63.546000 Cu 0.545517 0.983464 1 415 63.546 10.316 -3.26808 63.546000 Cu 0.565311 0.969412 0.5 416 63.546 0.457486 -3.4725 63.546000 Cu 0.629678 0.974699 1 418 63.546 0.414964 -3.47568 63.546000 Cu 0.60867 0.994167 0.5 421 63.546 7.65259 -3.40994 63.546000 Cu 0.71525 0.962822 4.38609e-17 394 63.546 0.0810623 -3.53233 63.546000 Cu 0.783377 0.968634 0.5 400 63.546 0.348971 -3.47763 63.546000 Cu 0.679037 0.994164 1 419 63.546 8.1255 -3.4409 63.546000 Cu 0.695796 0.97905 0.5 420 63.546 2.88132 -3.42352 63.546000 Cu 0.76281 0.983106 3.60501e-19 422 63.546 8.88759 -3.35934 63.546000 Cu 0.826683 0.994164 0.5 423 63.546 8.13035 -3.34848 63.546000 Cu 0.994341 0.964843 0.5 403 63.546 0.390557 -3.50265 63.546000 Cu 0.848101 0.974148 1 398 63.546 0.484091 -3.47215 63.546000 Cu 0.980445 0.982257 7.64261e-17 402 63.546 8.90634 -3.34013 63.546000 Cu 0.91301 0.978283 0.5 404 63.546 2.95525 -3.42233 63.546000 Cu 0.897758 0.994168 0 424 63.546 8.26943 -3.43668