Number of particles = 816 A = 1 Angstrom (basic length-scale) H0(1,1) = 21.0976 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 89.3957 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.11701 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 0.0887427 0.0196121 0.75 448 63.546 5.1111 -3.40984 63.546000 Cu 0.0887427 0.0196121 0.25 449 63.546 5.1111 -3.40984 63.546000 Cu 0.00104651 0.0399341 0.75 439 63.546 0.0066051 -3.53922 63.546000 Cu 0.00104651 0.0399341 0.25 452 63.546 0.0066051 -3.53922 63.546000 Cu 0.182 0.00343222 0.75 447 63.546 8.49462 -3.40369 63.546000 Cu 0.193973 0.0265229 1.91804e-14 451 63.546 0.499914 -3.49526 63.546000 Cu 0.284117 0.00314402 1 455 63.546 3.197 -3.42236 63.546000 Cu 0.182 0.00343222 0.25 456 63.546 8.49462 -3.40369 63.546000 Cu 0.193973 0.0265229 0.5 457 63.546 0.499914 -3.49526 63.546000 Cu 0.284117 0.00314402 0.5 458 63.546 3.197 -3.42236 63.546000 Cu 0.294163 0.0297126 0.75 481 63.546 0.240379 -3.50776 63.546000 Cu 0.294163 0.0297126 0.25 493 63.546 0.240379 -3.50776 63.546000 Cu 0.381552 0.0114797 0.75 489 63.546 6.93838 -3.45242 63.546000 Cu 0.381552 0.0114797 0.25 490 63.546 6.93838 -3.45242 63.546000 Cu 0.39872 0.0352204 6.95227e-16 491 63.546 0.0336504 -3.53521 63.546000 Cu 0.488087 0.0155319 1.11687e-15 492 63.546 5.62075 -3.50871 63.546000 Cu 0.39872 0.0352204 0.5 495 63.546 0.0336504 -3.53521 63.546000 Cu 0.488087 0.0155319 0.5 496 63.546 5.62075 -3.50871 63.546000 Cu 0.501047 0.0399341 0.75 532 63.546 0.0066051 -3.53922 63.546000 Cu 0.501047 0.0399341 0.25 533 63.546 0.0066051 -3.53922 63.546000 Cu 0.588743 0.0196121 0.75 531 63.546 5.1111 -3.40984 63.546000 Cu 0.588743 0.0196121 0.25 539 63.546 5.1111 -3.40984 63.546000 Cu 0.682 0.00343222 0.75 413 63.546 8.49462 -3.40369 63.546000 Cu 0.682 0.00343222 0.25 414 63.546 8.49462 -3.40369 63.546000 Cu 0.693973 0.0265229 1 415 63.546 0.499914 -3.49526 63.546000 Cu 0.784117 0.00314402 1.89304e-15 416 63.546 3.197 -3.42236 63.546000 Cu 0.693973 0.0265229 0.5 417 63.546 0.499914 -3.49526 63.546000 Cu 0.784117 0.00314402 0.5 418 63.546 3.197 -3.42236 63.546000 Cu 0.794163 0.0297126 0.75 422 63.546 0.240379 -3.50776 63.546000 Cu 0.794163 0.0297126 0.25 423 63.546 0.240379 -3.50776 63.546000 Cu 0.881552 0.0114797 0.75 421 63.546 6.93838 -3.45242 63.546000 Cu 0.89872 0.0352204 1.95092e-15 425 63.546 0.0336504 -3.53521 63.546000 Cu 0.988087 0.0155319 1 429 63.546 5.62075 -3.50871 63.546000 Cu 0.881552 0.0114797 0.25 430 63.546 6.93838 -3.45242 63.546000 Cu 0.89872 0.0352204 0.5 431 63.546 0.0336504 -3.53521 63.546000 Cu 0.988087 0.0155319 0.5 432 63.546 5.62075 -3.50871 63.546000 Cu 0.015291 0.0643506 3.26468e-16 443 63.546 0.00111775 -3.53965 63.546000 Cu 0.103633 0.044376 6.73107e-16 450 63.546 0.0813199 -3.53588 63.546000 Cu 0.015291 0.0643506 0.5 453 63.546 0.00111775 -3.53965 63.546000 Cu 0.103633 0.044376 0.5 454 63.546 0.0813199 -3.53588 63.546000 Cu 0.117775 0.0691625 0.75 473 63.546 0.0144346 -3.53851 63.546000 Cu 0.117775 0.0691625 0.25 486 63.546 0.0144346 -3.53851 63.546000 Cu 0.206832 0.0504529 0.75 482 63.546 0.115155 -3.53299 63.546000 Cu 0.206832 0.0504529 0.25 483 63.546 0.115155 -3.53299 63.546000 Cu 0.221198 0.0745218 8.68716e-16 484 63.546 0.0239037 -3.53737 63.546000 Cu 0.309566 0.0543157 6.99889e-16 485 63.546 0.0429567 -3.53855 63.546000 Cu 0.221198 0.0745218 0.5 488 63.546 0.0239037 -3.53737 63.546000 Cu 0.309566 0.0543157 0.5 494 63.546 0.0429567 -3.53855 63.546000 Cu 0.323865 0.0789478 0.75 524 63.546 0.00819772 -3.53957 63.546000 Cu 0.323865 0.0789478 0.25 525 63.546 0.00819772 -3.53957 63.546000 Cu 0.412524 0.0595863 0.75 523 63.546 0.00503429 -3.53959 63.546000 Cu 0.412524 0.0595863 0.25 536 63.546 0.00503429 -3.53959 63.546000 Cu 0.515291 0.0643506 1 534 63.546 0.00111775 -3.53965 63.546000 Cu 0.603633 0.044376 1.33036e-15 535 63.546 0.0813199 -3.53588 63.546000 Cu 0.515291 0.0643506 0.5 538 63.546 0.00111775 -3.53965 63.546000 Cu 0.603633 0.044376 0.5 540 63.546 0.0813199 -3.53588 63.546000 Cu 0.617775 0.0691625 0.75 579 63.546 0.0144346 -3.53851 63.546000 Cu 0.617775 0.0691625 0.25 580 63.546 0.0144346 -3.53851 63.546000 Cu 0.706832 0.0504529 0.75 419 63.546 0.115155 -3.53299 63.546000 Cu 0.721198 0.0745218 2.42562e-16 420 63.546 0.0239037 -3.53737 63.546000 Cu 0.809566 0.0543157 4.28934e-16 424 63.546 0.0429567 -3.53855 63.546000 Cu 0.706832 0.0504529 0.25 426 63.546 0.115155 -3.53299 63.546000 Cu 0.721198 0.0745218 0.5 427 63.546 0.0239037 -3.53737 63.546000 Cu 0.809566 0.0543157 0.5 428 63.546 0.0429567 -3.53855 63.546000 Cu 0.823865 0.0789478 0.75 433 63.546 0.00819772 -3.53957 63.546000 Cu 0.823865 0.0789478 0.25 444 63.546 0.00819772 -3.53957 63.546000 Cu 0.912524 0.0595863 0.75 440 63.546 0.00503429 -3.53959 63.546000 Cu 0.912524 0.0595863 0.25 441 63.546 0.00503429 -3.53959 63.546000 Cu 0.0295042 0.0888312 0.75 474 63.546 9.33735e-05 -3.53995 63.546000 Cu 0.0295042 0.0888312 0.25 475 63.546 9.33735e-05 -3.53995 63.546000 Cu 0.0438487 0.113288 1.4691e-15 476 63.546 1.96335e-05 -3.53995 63.546000 Cu 0.132319 0.0936878 1.42724e-16 477 63.546 0.00271466 -3.53982 63.546000 Cu 0.0438487 0.113288 0.5 480 63.546 1.96335e-05 -3.53995 63.546000 Cu 0.132319 0.0936878 0.5 487 63.546 0.00271466 -3.53982 63.546000 Cu 0.146699 0.118168 0.75 516 63.546 0.000585881 -3.53994 63.546000 Cu 0.146699 0.118168 0.25 517 63.546 0.000585881 -3.53994 63.546000 Cu 0.235389 0.0987971 0.75 515 63.546 0.00540056 -3.53929 63.546000 Cu 0.235389 0.0987971 0.25 528 63.546 0.00540056 -3.53929 63.546000 Cu 0.338172 0.103448 1.04271e-15 526 63.546 0.00225614 -3.5399 63.546000 Cu 0.338172 0.103448 0.5 530 63.546 0.00225614 -3.5399 63.546000 Cu 0.426809 0.0839832 7.28365e-16 527 63.546 0.000893644 -3.53985 63.546000 Cu 0.426809 0.0839832 0.5 537 63.546 0.000893644 -3.53985 63.546000 Cu 0.441046 0.10843 0.75 572 63.546 0.000368846 -3.53993 63.546000 Cu 0.441046 0.10843 0.25 573 63.546 0.000368846 -3.53993 63.546000 Cu 0.529504 0.0888312 0.75 571 63.546 9.33735e-05 -3.53995 63.546000 Cu 0.543849 0.113288 6.54461e-16 575 63.546 1.96335e-05 -3.53995 63.546000 Cu 0.632319 0.0936878 1 581 63.546 0.00271466 -3.53982 63.546000 Cu 0.529504 0.0888312 0.25 582 63.546 9.33735e-05 -3.53995 63.546000 Cu 0.543849 0.113288 0.5 583 63.546 1.96335e-05 -3.53995 63.546000 Cu 0.632319 0.0936878 0.5 584 63.546 0.00271466 -3.53982 63.546000 Cu 0.646699 0.118168 0.75 623 63.546 0.000585881 -3.53994 63.546000 Cu 0.646699 0.118168 0.25 631 63.546 0.000585881 -3.53994 63.546000 Cu 0.735389 0.0987971 0.75 434 63.546 0.00540056 -3.53929 63.546000 Cu 0.735389 0.0987971 0.25 435 63.546 0.00540056 -3.53929 63.546000 Cu 0.838172 0.103448 3.97491e-16 437 63.546 0.00225614 -3.5399 63.546000 Cu 0.838172 0.103448 0.5 445 63.546 0.00225614 -3.5399 63.546000 Cu 0.926809 0.0839832 1 442 63.546 0.000893644 -3.53985 63.546000 Cu 0.926809 0.0839832 0.5 446 63.546 0.000893644 -3.53985 63.546000 Cu 0.941046 0.10843 0.75 465 63.546 0.000368846 -3.53993 63.546000 Cu 0.941046 0.10843 0.25 478 63.546 0.000368846 -3.53993 63.546000 Cu 0.0582766 0.137743 0.75 507 63.546 0.000102341 -3.53995 63.546000 Cu 0.161186 0.142626 6.65564e-16 518 63.546 0.00026561 -3.53995 63.546000 Cu 0.0582766 0.137743 0.25 520 63.546 0.000102341 -3.53995 63.546000 Cu 0.161186 0.142626 0.5 522 63.546 0.00026561 -3.53995 63.546000 Cu 0.249671 0.123158 6.976e-16 519 63.546 0.00140878 -3.53973 63.546000 Cu 0.249671 0.123158 0.5 529 63.546 0.00140878 -3.53973 63.546000 Cu 0.264142 0.14756 0.75 564 63.546 0.00053742 -3.53987 63.546000 Cu 0.264142 0.14756 0.25 565 63.546 0.00053742 -3.53987 63.546000 Cu 0.352471 0.127915 0.75 563 63.546 0.000917725 -3.53995 63.546000 Cu 0.367052 0.152375 4.23764e-19 567 63.546 0.000479688 -3.53995 63.546000 Cu 0.455389 0.132867 2.15018e-16 574 63.546 0.000220961 -3.53992 63.546000 Cu 0.352471 0.127915 0.25 576 63.546 0.000917725 -3.53995 63.546000 Cu 0.367052 0.152375 0.5 577 63.546 0.000479688 -3.53995 63.546000 Cu 0.455389 0.132867 0.5 578 63.546 0.000220961 -3.53992 63.546000 Cu 0.470029 0.157309 0.75 615 63.546 0.000198939 -3.53991 63.546000 Cu 0.470029 0.157309 0.25 628 63.546 0.000198939 -3.53991 63.546000 Cu 0.558277 0.137743 0.75 624 63.546 0.000102341 -3.53995 63.546000 Cu 0.558277 0.137743 0.25 625 63.546 0.000102341 -3.53995 63.546000 Cu 0.661186 0.142626 1.4352e-15 627 63.546 0.00026561 -3.53995 63.546000 Cu 0.661186 0.142626 0.5 632 63.546 0.00026561 -3.53995 63.546000 Cu 0.749671 0.123158 1.16586e-15 436 63.546 0.00140878 -3.53973 63.546000 Cu 0.749671 0.123158 0.5 438 63.546 0.00140878 -3.53973 63.546000 Cu 0.764142 0.14756 0.75 459 63.546 0.00053742 -3.53987 63.546000 Cu 0.764142 0.14756 0.25 470 63.546 0.00053742 -3.53987 63.546000 Cu 0.852471 0.127915 0.75 466 63.546 0.000917725 -3.53995 63.546000 Cu 0.852471 0.127915 0.25 467 63.546 0.000917725 -3.53995 63.546000 Cu 0.867052 0.152375 5.21569e-16 468 63.546 0.000479688 -3.53995 63.546000 Cu 0.955389 0.132867 2.00101e-16 469 63.546 0.000220961 -3.53992 63.546000 Cu 0.867052 0.152375 0.5 472 63.546 0.000479688 -3.53995 63.546000 Cu 0.955389 0.132867 0.5 479 63.546 0.000220961 -3.53992 63.546000 Cu 0.970029 0.157309 0.75 508 63.546 0.000198939 -3.53991 63.546000 Cu 0.970029 0.157309 0.25 509 63.546 0.000198939 -3.53991 63.546000 Cu 0.0730147 0.16219 8.7253e-16 511 63.546 0.000106718 -3.53992 63.546000 Cu 0.0730147 0.16219 0.5 521 63.546 0.000106718 -3.53992 63.546000 Cu 0.088065 0.186629 0.75 556 63.546 1.64056e-05 -3.5399 63.546000 Cu 0.088065 0.186629 0.25 557 63.546 1.64056e-05 -3.5399 63.546000 Cu 0.176018 0.16708 0.75 555 63.546 7.08186e-05 -3.53991 63.546000 Cu 0.191088 0.191531 5.75895e-16 559 63.546 1.91809e-05 -3.53991 63.546000 Cu 0.279045 0.171976 5.21399e-16 566 63.546 6.10915e-05 -3.5399 63.546000 Cu 0.176018 0.16708 0.25 568 63.546 7.08186e-05 -3.53991 63.546000 Cu 0.191088 0.191531 0.5 569 63.546 1.91809e-05 -3.53991 63.546000 Cu 0.279045 0.171976 0.5 570 63.546 6.10915e-05 -3.5399 63.546000 Cu 0.294091 0.196417 0.75 607 63.546 1.71132e-05 -3.53991 63.546000 Cu 0.294091 0.196417 0.25 620 63.546 1.71132e-05 -3.53991 63.546000 Cu 0.382018 0.176843 0.75 616 63.546 6.00394e-05 -3.53992 63.546000 Cu 0.382018 0.176843 0.25 617 63.546 6.00394e-05 -3.53992 63.546000 Cu 0.485041 0.181753 1.20442e-15 619 63.546 2.38699e-05 -3.5399 63.546000 Cu 0.485041 0.181753 0.5 629 63.546 2.38699e-05 -3.5399 63.546000 Cu 0.573015 0.16219 1.74336e-16 626 63.546 0.000106718 -3.53992 63.546000 Cu 0.573015 0.16219 0.5 630 63.546 0.000106718 -3.53992 63.546000 Cu 0.588065 0.186629 0.75 667 63.546 1.64056e-05 -3.5399 63.546000 Cu 0.588065 0.186629 0.25 675 63.546 1.64056e-05 -3.5399 63.546000 Cu 0.676018 0.16708 0.75 460 63.546 7.08186e-05 -3.53991 63.546000 Cu 0.676018 0.16708 0.25 461 63.546 7.08186e-05 -3.53991 63.546000 Cu 0.691088 0.191531 6.94973e-16 462 63.546 1.91809e-05 -3.53991 63.546000 Cu 0.779045 0.171976 1.15764e-15 463 63.546 6.10915e-05 -3.5399 63.546000 Cu 0.691088 0.191531 0.5 464 63.546 1.91809e-05 -3.53991 63.546000 Cu 0.779045 0.171976 0.5 471 63.546 6.10915e-05 -3.5399 63.546000 Cu 0.794091 0.196417 0.75 500 63.546 1.71132e-05 -3.53991 63.546000 Cu 0.794091 0.196417 0.25 501 63.546 1.71132e-05 -3.53991 63.546000 Cu 0.882018 0.176843 0.75 499 63.546 6.00394e-05 -3.53992 63.546000 Cu 0.985041 0.181753 2.61208e-16 510 63.546 2.38699e-05 -3.5399 63.546000 Cu 0.882018 0.176843 0.25 512 63.546 6.00394e-05 -3.53992 63.546000 Cu 0.985041 0.181753 0.5 514 63.546 2.38699e-05 -3.5399 63.546000 Cu 0.0149769 0.230619 5.70386e-16 551 63.546 5.74782e-06 -3.53991 63.546000 Cu 0.103062 0.211068 5.27162e-16 558 63.546 2.02778e-05 -3.53991 63.546000 Cu 0.0149769 0.230619 0.5 561 63.546 5.74782e-06 -3.53991 63.546000 Cu 0.103062 0.211068 0.5 562 63.546 2.02778e-05 -3.53991 63.546000 Cu 0.117973 0.235508 0.75 599 63.546 1.58726e-05 -3.53993 63.546000 Cu 0.117973 0.235508 0.25 612 63.546 1.58726e-05 -3.53993 63.546000 Cu 7.5893e-05 0.20619 0.75 547 63.546 2.39299e-05 -3.53991 63.546000 Cu 7.5893e-05 0.20619 0.25 560 63.546 2.39299e-05 -3.53991 63.546000 Cu 0.20607 0.215972 0.75 608 63.546 3.33112e-05 -3.53991 63.546000 Cu 0.20607 0.215972 0.25 609 63.546 3.33112e-05 -3.53991 63.546000 Cu 0.30903 0.220859 6.29713e-16 611 63.546 1.91037e-05 -3.53992 63.546000 Cu 0.30903 0.220859 0.5 621 63.546 1.91037e-05 -3.53992 63.546000 Cu 0.397086 0.201299 6.79209e-16 618 63.546 3.39853e-05 -3.53992 63.546000 Cu 0.397086 0.201299 0.5 622 63.546 3.39853e-05 -3.53992 63.546000 Cu 0.411986 0.225746 0.75 659 63.546 1.39366e-05 -3.53992 63.546000 Cu 0.411986 0.225746 0.25 672 63.546 1.39366e-05 -3.53992 63.546000 Cu 0.500076 0.20619 0.75 668 63.546 2.39299e-05 -3.53991 63.546000 Cu 0.500076 0.20619 0.25 669 63.546 2.39299e-05 -3.53991 63.546000 Cu 0.514977 0.230619 8.14474e-16 670 63.546 5.74782e-06 -3.53991 63.546000 Cu 0.603062 0.211068 1.26104e-15 671 63.546 2.02778e-05 -3.53991 63.546000 Cu 0.514977 0.230619 0.5 674 63.546 5.74782e-06 -3.53991 63.546000 Cu 0.603062 0.211068 0.5 676 63.546 2.02778e-05 -3.53991 63.546000 Cu 0.617973 0.235508 0.75 715 63.546 1.58726e-05 -3.53993 63.546000 Cu 0.617973 0.235508 0.25 716 63.546 1.58726e-05 -3.53993 63.546000 Cu 0.70607 0.215972 0.75 497 63.546 3.33112e-05 -3.53991 63.546000 Cu 0.80903 0.220859 1.14408e-15 502 63.546 1.91037e-05 -3.53992 63.546000 Cu 0.70607 0.215972 0.25 504 63.546 3.33112e-05 -3.53991 63.546000 Cu 0.80903 0.220859 0.5 506 63.546 1.91037e-05 -3.53992 63.546000 Cu 0.897086 0.201299 2.79769e-16 503 63.546 3.39853e-05 -3.53992 63.546000 Cu 0.897086 0.201299 0.5 513 63.546 3.39853e-05 -3.53992 63.546000 Cu 0.911986 0.225746 0.75 548 63.546 1.39366e-05 -3.53992 63.546000 Cu 0.911986 0.225746 0.25 549 63.546 1.39366e-05 -3.53992 63.546000 Cu 0.0298467 0.255045 0.75 600 63.546 3.95082e-05 -3.53991 63.546000 Cu 0.0298467 0.255045 0.25 601 63.546 3.95082e-05 -3.53991 63.546000 Cu 0.0446429 0.279483 1.04305e-15 602 63.546 2.22185e-05 -3.53992 63.546000 Cu 0.132781 0.259959 3.45113e-16 603 63.546 2.97742e-05 -3.53993 63.546000 Cu 0.0446429 0.279483 0.5 606 63.546 2.22185e-05 -3.53992 63.546000 Cu 0.132781 0.259959 0.5 613 63.546 2.97742e-05 -3.53993 63.546000 Cu 0.220906 0.240402 7.971e-16 610 63.546 5.1561e-06 -3.53992 63.546000 Cu 0.220906 0.240402 0.5 614 63.546 5.1561e-06 -3.53992 63.546000 Cu 0.235727 0.264837 0.75 651 63.546 3.70617e-06 -3.53992 63.546000 Cu 0.323861 0.245283 0.75 660 63.546 6.64768e-06 -3.53991 63.546000 Cu 0.323861 0.245283 0.25 661 63.546 6.64768e-06 -3.53991 63.546000 Cu 0.235727 0.264837 0.25 664 63.546 3.70617e-06 -3.53992 63.546000 Cu 0.338724 0.269713 7.03957e-16 662 63.546 7.07514e-06 -3.53992 63.546000 Cu 0.338724 0.269713 0.5 666 63.546 7.07514e-06 -3.53992 63.546000 Cu 0.426858 0.250174 1.02653e-15 663 63.546 9.96586e-06 -3.5399 63.546000 Cu 0.426858 0.250174 0.5 673 63.546 9.96586e-06 -3.5399 63.546000 Cu 0.441721 0.274594 0.75 708 63.546 2.9856e-05 -3.53991 63.546000 Cu 0.441721 0.274594 0.25 709 63.546 2.9856e-05 -3.53991 63.546000 Cu 0.529847 0.255045 0.75 707 63.546 3.95082e-05 -3.53991 63.546000 Cu 0.544643 0.279483 5.97253e-16 711 63.546 2.22185e-05 -3.53992 63.546000 Cu 0.632781 0.259959 1.04263e-15 717 63.546 2.97742e-05 -3.53993 63.546000 Cu 0.529847 0.255045 0.25 718 63.546 3.95082e-05 -3.53991 63.546000 Cu 0.544643 0.279483 0.5 719 63.546 2.22185e-05 -3.53992 63.546000 Cu 0.632781 0.259959 0.5 720 63.546 2.97742e-05 -3.53993 63.546000 Cu 0.720906 0.240402 1.04373e-15 498 63.546 5.1561e-06 -3.53992 63.546000 Cu 0.720906 0.240402 0.5 505 63.546 5.1561e-06 -3.53992 63.546000 Cu 0.823861 0.245283 0.75 541 63.546 6.64768e-06 -3.53991 63.546000 Cu 0.735727 0.264837 0.75 542 63.546 3.70617e-06 -3.53992 63.546000 Cu 0.735727 0.264837 0.25 543 63.546 3.70617e-06 -3.53992 63.546000 Cu 0.823861 0.245283 0.25 552 63.546 6.64768e-06 -3.53991 63.546000 Cu 0.838724 0.269713 4.49444e-16 545 63.546 7.07514e-06 -3.53992 63.546000 Cu 0.838724 0.269713 0.5 553 63.546 7.07514e-06 -3.53992 63.546000 Cu 0.926858 0.250174 8.84056e-16 550 63.546 9.96586e-06 -3.5399 63.546000 Cu 0.926858 0.250174 0.5 554 63.546 9.96586e-06 -3.5399 63.546000 Cu 0.941721 0.274594 0.75 591 63.546 2.9856e-05 -3.53991 63.546000 Cu 0.941721 0.274594 0.25 604 63.546 2.9856e-05 -3.53991 63.546000 Cu 0.0593524 0.303919 0.75 643 63.546 1.05527e-05 -3.53992 63.546000 Cu 0.147592 0.284399 0.75 652 63.546 6.22025e-05 -3.53992 63.546000 Cu 0.147592 0.284399 0.25 653 63.546 6.22025e-05 -3.53992 63.546000 Cu 0.162317 0.30883 6.69039e-16 654 63.546 6.42144e-05 -3.53992 63.546000 Cu 0.0593524 0.303919 0.25 656 63.546 1.05527e-05 -3.53992 63.546000 Cu 0.162317 0.30883 0.5 658 63.546 6.42144e-05 -3.53992 63.546000 Cu 0.250567 0.289268 5.84709e-16 655 63.546 2.76747e-05 -3.53991 63.546000 Cu 0.250567 0.289268 0.5 665 63.546 2.76747e-05 -3.53991 63.546000 Cu 0.265273 0.313686 0.75 700 63.546 7.98955e-05 -3.5399 63.546000 Cu 0.265273 0.313686 0.25 701 63.546 7.98955e-05 -3.5399 63.546000 Cu 0.35354 0.294154 0.75 699 63.546 4.09949e-05 -3.53994 63.546000 Cu 0.3682 0.318591 6.62258e-16 703 63.546 0.000104417 -3.53994 63.546000 Cu 0.456439 0.299025 1.0428e-15 710 63.546 2.74616e-05 -3.53992 63.546000 Cu 0.35354 0.294154 0.25 712 63.546 4.09949e-05 -3.53994 63.546000 Cu 0.3682 0.318591 0.5 713 63.546 0.000104417 -3.53994 63.546000 Cu 0.456439 0.299025 0.5 714 63.546 2.74616e-05 -3.53992 63.546000 Cu 0.647592 0.284399 0.75 755 63.546 6.22025e-05 -3.53992 63.546000 Cu 0.559352 0.303919 0.75 756 63.546 1.05527e-05 -3.53992 63.546000 Cu 0.559352 0.303919 0.25 757 63.546 1.05527e-05 -3.53992 63.546000 Cu 0.662317 0.30883 1.16561e-15 759 63.546 6.42144e-05 -3.53992 63.546000 Cu 0.647592 0.284399 0.25 763 63.546 6.22025e-05 -3.53992 63.546000 Cu 0.662317 0.30883 0.5 764 63.546 6.42144e-05 -3.53992 63.546000 Cu 0.750567 0.289268 1.41791e-15 544 63.546 2.76747e-05 -3.53991 63.546000 Cu 0.750567 0.289268 0.5 546 63.546 2.76747e-05 -3.53991 63.546000 Cu 0.765273 0.313686 0.75 585 63.546 7.98955e-05 -3.5399 63.546000 Cu 0.765273 0.313686 0.25 596 63.546 7.98955e-05 -3.5399 63.546000 Cu 0.85354 0.294154 0.75 592 63.546 4.09949e-05 -3.53994 63.546000 Cu 0.85354 0.294154 0.25 593 63.546 4.09949e-05 -3.53994 63.546000 Cu 0.8682 0.318591 4.4046e-16 594 63.546 0.000104417 -3.53994 63.546000 Cu 0.956439 0.299025 7.85235e-16 595 63.546 2.74616e-05 -3.53992 63.546000 Cu 0.8682 0.318591 0.5 598 63.546 0.000104417 -3.53994 63.546000 Cu 0.956439 0.299025 0.5 605 63.546 2.74616e-05 -3.53992 63.546000 Cu 0.0740145 0.328359 7.89133e-16 647 63.546 2.6781e-05 -3.53992 63.546000 Cu 0.0740145 0.328359 0.5 657 63.546 2.6781e-05 -3.53992 63.546000 Cu 0.0886232 0.352808 0.75 692 63.546 0.00028685 -3.53993 63.546000 Cu 0.0886232 0.352808 0.25 693 63.546 0.00028685 -3.53993 63.546000 Cu 0.176972 0.333264 0.75 691 63.546 0.000122522 -3.53994 63.546000 Cu 0.191464 0.357714 7.15229e-16 695 63.546 0.000288254 -3.53997 63.546000 Cu 0.279823 0.338101 1.08611e-15 702 63.546 0.000271574 -3.53987 63.546000 Cu 0.176972 0.333264 0.25 704 63.546 0.000122522 -3.53994 63.546000 Cu 0.191464 0.357714 0.5 705 63.546 0.000288254 -3.53997 63.546000 Cu 0.279823 0.338101 0.5 706 63.546 0.000271574 -3.53987 63.546000 Cu 0.471056 0.323442 0.75 747 63.546 0.000129126 -3.53988 63.546000 Cu 0.382728 0.343038 0.75 748 63.546 0.000459367 -3.53995 63.546000 Cu 0.382728 0.343038 0.25 749 63.546 0.000459367 -3.53995 63.546000 Cu 0.485649 0.347839 8.47443e-16 751 63.546 0.000725155 -3.53977 63.546000 Cu 0.471056 0.323442 0.25 760 63.546 0.000129126 -3.53988 63.546000 Cu 0.485649 0.347839 0.5 761 63.546 0.000725155 -3.53977 63.546000 Cu 0.574014 0.328359 9.6347e-16 758 63.546 2.6781e-05 -3.53992 63.546000 Cu 0.574014 0.328359 0.5 762 63.546 2.6781e-05 -3.53992 63.546000 Cu 0.588623 0.352808 0.75 785 63.546 0.00028685 -3.53993 63.546000 Cu 0.588623 0.352808 0.25 793 63.546 0.00028685 -3.53993 63.546000 Cu 0.676972 0.333264 0.75 586 63.546 0.000122522 -3.53994 63.546000 Cu 0.676972 0.333264 0.25 587 63.546 0.000122522 -3.53994 63.546000 Cu 0.691464 0.357714 6.04287e-16 588 63.546 0.000288254 -3.53997 63.546000 Cu 0.779823 0.338101 2.0739e-16 589 63.546 0.000271574 -3.53987 63.546000 Cu 0.691464 0.357714 0.5 590 63.546 0.000288254 -3.53997 63.546000 Cu 0.779823 0.338101 0.5 597 63.546 0.000271574 -3.53987 63.546000 Cu 0.882728 0.343038 0.75 635 63.546 0.000459367 -3.53995 63.546000 Cu 0.971056 0.323442 0.75 644 63.546 0.000129126 -3.53988 63.546000 Cu 0.971056 0.323442 0.25 645 63.546 0.000129126 -3.53988 63.546000 Cu 0.985649 0.347839 1.02178e-15 646 63.546 0.000725155 -3.53977 63.546000 Cu 0.882728 0.343038 0.25 648 63.546 0.000459367 -3.53995 63.546000 Cu 0.985649 0.347839 0.5 650 63.546 0.000725155 -3.53977 63.546000 Cu 0.0146451 0.396507 7.05991e-16 687 63.546 0.0171837 -3.53822 63.546000 Cu 0.103215 0.377287 9.6669e-16 694 63.546 0.00169872 -3.5398 63.546000 Cu 0.0146451 0.396507 0.5 697 63.546 0.0171837 -3.53822 63.546000 Cu 0.103215 0.377287 0.5 698 63.546 0.00169872 -3.5398 63.546000 Cu 0.000162201 0.372199 0.75 683 63.546 0.00363388 -3.53949 63.546000 Cu 0.000162201 0.372199 0.25 696 63.546 0.00363388 -3.53949 63.546000 Cu 0.294239 0.362496 0.75 739 63.546 0.00132105 -3.53973 63.546000 Cu 0.206036 0.382192 0.75 740 63.546 0.00100753 -3.53995 63.546000 Cu 0.206036 0.382192 0.25 741 63.546 0.00100753 -3.53995 63.546000 Cu 0.308749 0.386852 3.21044e-16 743 63.546 0.00585 -3.53923 63.546000 Cu 0.294239 0.362496 0.25 752 63.546 0.00132105 -3.53973 63.546000 Cu 0.308749 0.386852 0.5 753 63.546 0.00585 -3.53923 63.546000 Cu 0.397286 0.367492 7.13195e-16 750 63.546 0.00210356 -3.5399 63.546000 Cu 0.397286 0.367492 0.5 754 63.546 0.00210356 -3.5399 63.546000 Cu 0.411981 0.391979 0.75 777 63.546 0.0098922 -3.53945 63.546000 Cu 0.411981 0.391979 0.25 790 63.546 0.0098922 -3.53945 63.546000 Cu 0.500162 0.372199 0.75 786 63.546 0.00363388 -3.53949 63.546000 Cu 0.500162 0.372199 0.25 787 63.546 0.00363388 -3.53949 63.546000 Cu 0.514645 0.396507 5.30298e-16 788 63.546 0.0171837 -3.53822 63.546000 Cu 0.603215 0.377287 5.91574e-16 789 63.546 0.00169872 -3.5398 63.546000 Cu 0.514645 0.396507 0.5 792 63.546 0.0171837 -3.53822 63.546000 Cu 0.603215 0.377287 0.5 794 63.546 0.00169872 -3.5398 63.546000 Cu 0.706036 0.382192 0.75 633 63.546 0.00100753 -3.53995 63.546000 Cu 0.794239 0.362496 0.75 636 63.546 0.00132105 -3.53973 63.546000 Cu 0.794239 0.362496 0.25 637 63.546 0.00132105 -3.53973 63.546000 Cu 0.808749 0.386852 6.37171e-16 638 63.546 0.00585 -3.53923 63.546000 Cu 0.706036 0.382192 0.25 640 63.546 0.00100753 -3.53995 63.546000 Cu 0.808749 0.386852 0.5 642 63.546 0.00585 -3.53923 63.546000 Cu 0.897286 0.367492 1.83236e-16 639 63.546 0.00210356 -3.5399 63.546000 Cu 0.897286 0.367492 0.5 649 63.546 0.00210356 -3.5399 63.546000 Cu 0.911981 0.391979 0.75 684 63.546 0.0098922 -3.53945 63.546000 Cu 0.911981 0.391979 0.25 685 63.546 0.0098922 -3.53945 63.546000 Cu 0.11791 0.401834 0.75 731 63.546 0.00982137 -3.53891 63.546000 Cu 0.0290902 0.420652 0.75 732 63.546 0.0871834 -3.53318 63.546000 Cu 0.0290902 0.420652 0.25 733 63.546 0.0871834 -3.53318 63.546000 Cu 0.132771 0.426541 1.34825e-15 735 63.546 0.0559466 -3.53612 63.546000 Cu 0.11791 0.401834 0.25 744 63.546 0.00982137 -3.53891 63.546000 Cu 0.132771 0.426541 0.5 745 63.546 0.0559466 -3.53612 63.546000 Cu 0.220615 0.406696 6.36154e-16 742 63.546 0.00339684 -3.53978 63.546000 Cu 0.220615 0.406696 0.5 746 63.546 0.00339684 -3.53978 63.546000 Cu 0.235394 0.431189 0.75 769 63.546 0.0133819 -3.53808 63.546000 Cu 0.323324 0.411102 0.75 778 63.546 0.0278128 -3.53778 63.546000 Cu 0.323324 0.411102 0.25 779 63.546 0.0278128 -3.53778 63.546000 Cu 0.235394 0.431189 0.25 782 63.546 0.0133819 -3.53808 63.546000 Cu 0.337109 0.435247 8.41341e-16 780 63.546 0.11717 -3.52902 63.546000 Cu 0.337109 0.435247 0.5 784 63.546 0.11717 -3.52902 63.546000 Cu 0.426568 0.416602 1.99508e-16 781 63.546 0.052313 -3.53751 63.546000 Cu 0.426568 0.416602 0.5 791 63.546 0.052313 -3.53751 63.546000 Cu 0.52909 0.420652 0.75 801 63.546 0.0871834 -3.53318 63.546000 Cu 0.61791 0.401834 0.75 809 63.546 0.00982137 -3.53891 63.546000 Cu 0.61791 0.401834 0.25 810 63.546 0.00982137 -3.53891 63.546000 Cu 0.632771 0.426541 1 811 63.546 0.0559466 -3.53612 63.546000 Cu 0.52909 0.420652 0.25 812 63.546 0.0871834 -3.53318 63.546000 Cu 0.632771 0.426541 0.5 814 63.546 0.0559466 -3.53612 63.546000 Cu 0.720615 0.406696 9.28213e-16 634 63.546 0.00339684 -3.53978 63.546000 Cu 0.720615 0.406696 0.5 641 63.546 0.00339684 -3.53978 63.546000 Cu 0.823324 0.411102 0.75 677 63.546 0.0278128 -3.53778 63.546000 Cu 0.735394 0.431189 0.75 678 63.546 0.0133819 -3.53808 63.546000 Cu 0.735394 0.431189 0.25 679 63.546 0.0133819 -3.53808 63.546000 Cu 0.823324 0.411102 0.25 688 63.546 0.0278128 -3.53778 63.546000 Cu 0.837109 0.435247 1.12297e-16 681 63.546 0.11717 -3.52902 63.546000 Cu 0.837109 0.435247 0.5 689 63.546 0.11717 -3.52902 63.546000 Cu 0.926568 0.416602 1.16077e-15 686 63.546 0.052313 -3.53751 63.546000 Cu 0.926568 0.416602 0.5 690 63.546 0.052313 -3.53751 63.546000 Cu 0.0429283 0.444539 1 734 63.546 0.399396 -3.50927 63.546000 Cu 0.0429283 0.444539 0.5 738 63.546 0.399396 -3.50927 63.546000 Cu 0.0585396 0.467709 0.75 765 63.546 6.43022 -3.46281 63.546000 Cu 0.148767 0.451305 0.75 770 63.546 0.452809 -3.48041 63.546000 Cu 0.148767 0.451305 0.25 771 63.546 0.452809 -3.48041 63.546000 Cu 0.153383 0.478797 8.44562e-16 772 63.546 6.48156 -3.41713 63.546000 Cu 0.0585396 0.467709 0.25 774 63.546 6.43022 -3.46281 63.546000 Cu 0.153383 0.478797 0.5 776 63.546 6.48156 -3.41713 63.546000 Cu 0.248055 0.456064 3.86312e-15 773 63.546 0.138252 -3.50782 63.546000 Cu 0.248055 0.456064 0.5 783 63.546 0.138252 -3.50782 63.546000 Cu 0.350656 0.458942 0.75 796 63.546 0.584007 -3.49452 63.546000 Cu 0.441256 0.441409 0.75 802 63.546 0.248215 -3.52291 63.546000 Cu 0.441256 0.441409 0.25 803 63.546 0.248215 -3.52291 63.546000 Cu 0.456184 0.466973 4.15289e-18 804 63.546 5.37334 -3.48438 63.546000 Cu 0.350656 0.458942 0.25 806 63.546 0.584007 -3.49452 63.546000 Cu 0.456184 0.466973 0.5 808 63.546 5.37334 -3.48438 63.546000 Cu 0.653383 0.478797 0.5 5 63.546 6.48156 -3.41713 63.546000 Cu 0.648767 0.451305 0.25 12 63.546 0.452809 -3.48041 63.546000 Cu 0.653383 0.478797 1 393 63.546 6.48156 -3.41713 63.546000 Cu 0.55854 0.467709 0.25 411 63.546 6.43022 -3.46281 63.546000 Cu 0.55854 0.467709 0.75 412 63.546 6.43022 -3.46281 63.546000 Cu 0.542928 0.444539 9.16169e-15 805 63.546 0.399396 -3.50927 63.546000 Cu 0.542928 0.444539 0.5 813 63.546 0.399396 -3.50927 63.546000 Cu 0.648767 0.451305 0.75 816 63.546 0.452809 -3.48041 63.546000 Cu 0.748055 0.456064 1 680 63.546 0.138252 -3.50782 63.546000 Cu 0.748055 0.456064 0.5 682 63.546 0.138252 -3.50782 63.546000 Cu 0.941256 0.441409 0.75 724 63.546 0.248215 -3.52291 63.546000 Cu 0.850656 0.458942 0.75 725 63.546 0.584007 -3.49452 63.546000 Cu 0.850656 0.458942 0.25 726 63.546 0.584007 -3.49452 63.546000 Cu 0.956184 0.466973 9.54994e-16 728 63.546 5.37334 -3.48438 63.546000 Cu 0.941256 0.441409 0.25 736 63.546 0.248215 -3.52291 63.546000 Cu 0.956184 0.466973 0.5 737 63.546 5.37334 -3.48438 63.546000 Cu 0.00948834 0.515946 0.5 6 63.546 5.99073 -3.48651 63.546000 Cu 0.00948834 0.515946 1.07645e-15 13 63.546 5.99073 -3.48651 63.546000 Cu 0.041502 0.490149 8.20195e-15 768 63.546 9.48454 -3.45027 63.546000 Cu 0.041502 0.490149 0.5 775 63.546 9.48454 -3.45027 63.546000 Cu 0.116275 0.50703 0.75 795 63.546 4.53826 -3.45553 63.546000 Cu 0.116275 0.50703 0.25 800 63.546 4.53826 -3.45553 63.546000 Cu 0.219838 0.503941 0.5 1 63.546 0.63736 -3.51636 63.546000 Cu 0.219838 0.503941 9.90082e-16 3 63.546 0.63736 -3.51636 63.546000 Cu 0.322322 0.503549 0.25 82 63.546 5.24881 -3.44838 63.546000 Cu 0.322322 0.503549 0.75 83 63.546 5.24881 -3.44838 63.546000 Cu 0.256175 0.480139 0.75 797 63.546 4.90514 -3.51072 63.546000 Cu 0.256175 0.480139 0.25 798 63.546 4.90514 -3.51072 63.546000 Cu 0.443323 0.494712 0.25 47 63.546 7.19286 -3.44728 63.546000 Cu 0.358172 0.48205 1 799 63.546 7.1484 -3.46931 63.546000 Cu 0.358172 0.48205 0.5 807 63.546 7.1484 -3.46931 63.546000 Cu 0.443323 0.494712 0.75 815 63.546 7.19286 -3.44728 63.546000 Cu 0.541502 0.490149 0.5 46 63.546 9.48454 -3.45027 63.546000 Cu 0.509488 0.515946 0.5 48 63.546 5.99073 -3.48651 63.546000 Cu 0.509488 0.515946 1.07483e-15 50 63.546 5.99073 -3.48651 63.546000 Cu 0.541502 0.490149 1 400 63.546 9.48454 -3.45027 63.546000 Cu 0.616275 0.50703 0.75 722 63.546 4.53826 -3.45553 63.546000 Cu 0.616275 0.50703 0.25 723 63.546 4.53826 -3.45553 63.546000 Cu 0.822322 0.503549 0.25 19 63.546 5.24881 -3.44838 63.546000 Cu 0.719838 0.503941 0.5 20 63.546 0.63736 -3.51636 63.546000 Cu 0.822322 0.503549 0.75 26 63.546 5.24881 -3.44838 63.546000 Cu 0.719838 0.503941 1 27 63.546 0.63736 -3.51636 63.546000 Cu 0.756175 0.480139 0.75 721 63.546 4.90514 -3.51072 63.546000 Cu 0.756175 0.480139 0.25 729 63.546 4.90514 -3.51072 63.546000 Cu 0.858172 0.48205 2.13709e-14 727 63.546 7.1484 -3.46931 63.546000 Cu 0.858172 0.48205 0.5 730 63.546 7.1484 -3.46931 63.546000 Cu 0.943323 0.494712 0.75 766 63.546 7.19286 -3.44728 63.546000 Cu 0.943323 0.494712 0.25 767 63.546 7.19286 -3.44728 63.546000 Cu 0.100864 0.533166 0.5 10 63.546 0.200041 -3.51567 63.546000 Cu 0.100864 0.533166 4.89871e-16 14 63.546 0.200041 -3.51567 63.546000 Cu 0.0873068 0.5585 0.25 30 63.546 0.0418883 -3.53318 63.546000 Cu 0.0873068 0.5585 0.75 31 63.546 0.0418883 -3.53318 63.546000 Cu 0.304389 0.526638 0.5 2 63.546 0.354587 -3.51335 63.546000 Cu 0.304389 0.526638 2.64547e-15 4 63.546 0.354587 -3.51335 63.546000 Cu 0.291057 0.5503 0.25 7 63.546 0.103359 -3.52728 63.546000 Cu 0.202277 0.528632 0.25 8 63.546 0.122888 -3.52556 63.546000 Cu 0.202277 0.528632 0.75 9 63.546 0.122888 -3.52556 63.546000 Cu 0.18889 0.553472 0.5 11 63.546 0.0575735 -3.53406 63.546000 Cu 0.291057 0.5503 0.75 16 63.546 0.103359 -3.52728 63.546000 Cu 0.18889 0.553472 4.07661e-16 17 63.546 0.0575735 -3.53406 63.546000 Cu 0.409555 0.521299 0.25 81 63.546 3.73461 -3.47163 63.546000 Cu 0.409555 0.521299 0.75 89 63.546 3.73461 -3.47163 63.546000 Cu 0.394746 0.54533 0.5 87 63.546 0.00324035 -3.53747 63.546000 Cu 0.394746 0.54533 7.4218e-16 90 63.546 0.00324035 -3.53747 63.546000 Cu 0.498396 0.540258 0.25 85 63.546 0.081245 -3.53364 63.546000 Cu 0.498396 0.540258 0.75 86 63.546 0.081245 -3.53364 63.546000 Cu 0.600864 0.533166 0.5 49 63.546 0.200041 -3.51567 63.546000 Cu 0.600864 0.533166 6.95227e-16 57 63.546 0.200041 -3.51567 63.546000 Cu 0.587307 0.5585 0.25 84 63.546 0.0418883 -3.53318 63.546000 Cu 0.587307 0.5585 0.75 96 63.546 0.0418883 -3.53318 63.546000 Cu 0.804389 0.526638 0.5 24 63.546 0.354587 -3.51335 63.546000 Cu 0.804389 0.526638 1 28 63.546 0.354587 -3.51335 63.546000 Cu 0.702277 0.528632 0.25 45 63.546 0.122888 -3.52556 63.546000 Cu 0.791057 0.5503 0.25 52 63.546 0.103359 -3.52728 63.546000 Cu 0.791057 0.5503 0.75 53 63.546 0.103359 -3.52728 63.546000 Cu 0.68889 0.553472 0.5 54 63.546 0.0575735 -3.53406 63.546000 Cu 0.702277 0.528632 0.75 56 63.546 0.122888 -3.52556 63.546000 Cu 0.68889 0.553472 1.2818e-15 58 63.546 0.0575735 -3.53406 63.546000 Cu 0.909555 0.521299 0.25 22 63.546 3.73461 -3.47163 63.546000 Cu 0.909555 0.521299 0.75 23 63.546 3.73461 -3.47163 63.546000 Cu 0.998396 0.540258 0.25 21 63.546 0.081245 -3.53364 63.546000 Cu 0.998396 0.540258 0.75 34 63.546 0.081245 -3.53364 63.546000 Cu 0.894746 0.54533 0.5 25 63.546 0.00324035 -3.53747 63.546000 Cu 0.894746 0.54533 1.59522e-15 35 63.546 0.00324035 -3.53747 63.546000 Cu 0.0727692 0.583269 0.5 33 63.546 0.0103335 -3.53876 63.546000 Cu 0.0727692 0.583269 1.86202e-16 42 63.546 0.0103335 -3.53876 63.546000 Cu 0.277442 0.574279 0.5 15 63.546 0.0253791 -3.53545 63.546000 Cu 0.277442 0.574279 6.53359e-16 18 63.546 0.0253791 -3.53545 63.546000 Cu 0.17521 0.578258 0.25 29 63.546 0.0196886 -3.5382 63.546000 Cu 0.26351 0.598497 0.25 37 63.546 0.00598984 -3.53862 63.546000 Cu 0.26351 0.598497 0.75 38 63.546 0.00598984 -3.53862 63.546000 Cu 0.17521 0.578258 0.75 41 63.546 0.0196886 -3.5382 63.546000 Cu 0.483878 0.564466 0.5 88 63.546 0.0143233 -3.53755 63.546000 Cu 0.483878 0.564466 5.93693e-16 97 63.546 0.0143233 -3.53755 63.546000 Cu 0.469624 0.588786 0.25 127 63.546 0.0048656 -3.53901 63.546000 Cu 0.380595 0.569526 0.25 128 63.546 0.00167014 -3.53884 63.546000 Cu 0.380595 0.569526 0.75 129 63.546 0.00167014 -3.53884 63.546000 Cu 0.366473 0.593767 0.5 130 63.546 0.00125249 -3.53923 63.546000 Cu 0.469624 0.588786 0.75 136 63.546 0.0048656 -3.53901 63.546000 Cu 0.366473 0.593767 7.67098e-16 137 63.546 0.00125249 -3.53923 63.546000 Cu 0.572769 0.583269 0.5 94 63.546 0.0103335 -3.53876 63.546000 Cu 0.572769 0.583269 6.71073e-16 98 63.546 0.0103335 -3.53876 63.546000 Cu 0.777442 0.574279 0.5 55 63.546 0.0253791 -3.53545 63.546000 Cu 0.777442 0.574279 2.12221e-16 65 63.546 0.0253791 -3.53545 63.546000 Cu 0.76351 0.598497 0.25 91 63.546 0.00598984 -3.53862 63.546000 Cu 0.67521 0.578258 0.25 92 63.546 0.0196886 -3.5382 63.546000 Cu 0.67521 0.578258 0.75 93 63.546 0.0196886 -3.5382 63.546000 Cu 0.76351 0.598497 0.75 104 63.546 0.00598984 -3.53862 63.546000 Cu 0.983878 0.564466 0.5 32 63.546 0.0143233 -3.53755 63.546000 Cu 0.983878 0.564466 4.50207e-16 36 63.546 0.0143233 -3.53755 63.546000 Cu 0.880595 0.569526 0.25 51 63.546 0.00167014 -3.53884 63.546000 Cu 0.969624 0.588786 0.25 60 63.546 0.0048656 -3.53901 63.546000 Cu 0.969624 0.588786 0.75 61 63.546 0.0048656 -3.53901 63.546000 Cu 0.866473 0.593767 0.5 62 63.546 0.00125249 -3.53923 63.546000 Cu 0.880595 0.569526 0.75 64 63.546 0.00167014 -3.53884 63.546000 Cu 0.866473 0.593767 1.15899e-15 66 63.546 0.00125249 -3.53923 63.546000 Cu 0.0583295 0.607883 0.25 59 63.546 0.002759 -3.53965 63.546000 Cu 0.146754 0.627423 0.25 68 63.546 0.0025673 -3.53985 63.546000 Cu 0.146754 0.627423 0.75 69 63.546 0.0025673 -3.53985 63.546000 Cu 0.0440137 0.632405 0.5 70 63.546 0.000725818 -3.53989 63.546000 Cu 0.0583295 0.607883 0.75 72 63.546 0.002759 -3.53965 63.546000 Cu 0.0440137 0.632405 4.54614e-16 74 63.546 0.000725818 -3.53989 63.546000 Cu 0.160991 0.602878 0.5 39 63.546 0.00713482 -3.53952 63.546000 Cu 0.160991 0.602878 8.26255e-16 43 63.546 0.00713482 -3.53952 63.546000 Cu 0.249375 0.622807 0.5 40 63.546 0.00138042 -3.53943 63.546000 Cu 0.249375 0.622807 6.47257e-16 44 63.546 0.00138042 -3.53943 63.546000 Cu 0.455294 0.613123 0.5 134 63.546 0.00150621 -3.5395 63.546000 Cu 0.455294 0.613123 5.70556e-16 138 63.546 0.00150621 -3.5395 63.546000 Cu 0.352264 0.618063 0.25 171 63.546 0.000798544 -3.53951 63.546000 Cu 0.441046 0.637494 0.25 173 63.546 0.000640331 -3.53971 63.546000 Cu 0.441046 0.637494 0.75 174 63.546 0.000640331 -3.53971 63.546000 Cu 0.352264 0.618063 0.75 177 63.546 0.000798544 -3.53951 63.546000 Cu 0.646754 0.627423 0.25 131 63.546 0.0025673 -3.53985 63.546000 Cu 0.558329 0.607883 0.25 132 63.546 0.002759 -3.53965 63.546000 Cu 0.558329 0.607883 0.75 133 63.546 0.002759 -3.53965 63.546000 Cu 0.544014 0.632405 0.5 135 63.546 0.000725818 -3.53989 63.546000 Cu 0.646754 0.627423 0.75 144 63.546 0.0025673 -3.53985 63.546000 Cu 0.544014 0.632405 5.19535e-16 145 63.546 0.000725818 -3.53989 63.546000 Cu 0.660991 0.602878 0.5 95 63.546 0.00713482 -3.53952 63.546000 Cu 0.660991 0.602878 3.6181e-16 105 63.546 0.00713482 -3.53952 63.546000 Cu 0.749375 0.622807 0.5 102 63.546 0.00138042 -3.53943 63.546000 Cu 0.749375 0.622807 5.76912e-16 106 63.546 0.00138042 -3.53943 63.546000 Cu 0.955294 0.613123 0.5 63 63.546 0.00150621 -3.5395 63.546000 Cu 0.955294 0.613123 7.25823e-16 73 63.546 0.00150621 -3.5395 63.546000 Cu 0.941046 0.637494 0.25 99 63.546 0.000640331 -3.53971 63.546000 Cu 0.852264 0.618063 0.25 100 63.546 0.000798544 -3.53951 63.546000 Cu 0.852264 0.618063 0.75 101 63.546 0.000798544 -3.53951 63.546000 Cu 0.941046 0.637494 0.75 112 63.546 0.000640331 -3.53971 63.546000 Cu 0.132639 0.651913 0.5 71 63.546 0.000904573 -3.53992 63.546000 Cu 0.132639 0.651913 8.47358e-16 78 63.546 0.000904573 -3.53992 63.546000 Cu 0.118565 0.676377 0.25 107 63.546 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0.632639 0.651913 8.47867e-16 146 63.546 0.000904573 -3.53992 63.546000 Cu 0.529852 0.656866 0.25 172 63.546 0.000229218 -3.53992 63.546000 Cu 0.618565 0.676377 0.25 180 63.546 0.000288355 -3.53993 63.546000 Cu 0.618565 0.676377 0.75 181 63.546 0.000288355 -3.53993 63.546000 Cu 0.529852 0.656866 0.75 184 63.546 0.000229218 -3.53992 63.546000 Cu 0.824101 0.666749 0.25 139 63.546 0.000114811 -3.53974 63.546000 Cu 0.735311 0.647173 0.25 140 63.546 0.000319517 -3.5397 63.546000 Cu 0.735311 0.647173 0.75 141 63.546 0.000319517 -3.5397 63.546000 Cu 0.721303 0.671566 0.5 143 63.546 7.94455e-05 -3.53981 63.546000 Cu 0.824101 0.666749 0.75 152 63.546 0.000114811 -3.53974 63.546000 Cu 0.721303 0.671566 5.24789e-16 153 63.546 7.94455e-05 -3.53981 63.546000 Cu 0.838111 0.642392 0.5 103 63.546 0.000363626 -3.53964 63.546000 Cu 0.926958 0.661869 0.5 110 63.546 0.000263735 -3.53977 63.546000 Cu 0.838111 0.642392 6.20051e-16 113 63.546 0.000363626 -3.53964 63.546000 Cu 0.926958 0.661869 5.70471e-16 114 63.546 0.000263735 -3.53977 63.546000 Cu 0.0157838 0.681303 0.5 111 63.546 8.01886e-05 -3.5399 63.546000 Cu 0.104516 0.700818 0.5 118 63.546 9.5847e-05 -3.5399 63.546000 Cu 0.0157838 0.681303 1.01085e-15 121 63.546 8.01886e-05 -3.5399 63.546000 Cu 0.104516 0.700818 8.1922e-16 122 63.546 9.5847e-05 -3.5399 63.546000 Cu 0.00172709 0.705718 0.25 147 63.546 4.86081e-05 -3.53987 63.546000 Cu 0.00172709 0.705718 0.75 160 63.546 4.86081e-05 -3.53987 63.546000 Cu 0.31009 0.691131 0.5 76 63.546 2.79883e-05 -3.53978 63.546000 Cu 0.31009 0.691131 4.46478e-16 80 63.546 2.79883e-05 -3.53978 63.546000 Cu 0.296094 0.715516 0.25 115 63.546 2.75824e-05 -3.53982 63.546000 Cu 0.207267 0.69598 0.25 116 63.546 5.16107e-05 -3.53985 63.546000 Cu 0.207267 0.69598 0.75 117 63.546 5.16107e-05 -3.53985 63.546000 Cu 0.296094 0.715516 0.75 124 63.546 2.75824e-05 -3.53982 63.546000 Cu 0.412925 0.686255 0.25 217 63.546 0.000112158 -3.53981 63.546000 Cu 0.398919 0.710652 0.5 223 63.546 0.000107942 -3.53984 63.546000 Cu 0.412925 0.686255 0.75 225 63.546 0.000112158 -3.53981 63.546000 Cu 0.398919 0.710652 6.81158e-16 226 63.546 0.000107942 -3.53984 63.546000 Cu 0.515784 0.681303 0.5 182 63.546 8.01886e-05 -3.5399 63.546000 Cu 0.604516 0.700818 0.5 183 63.546 9.5847e-05 -3.5399 63.546000 Cu 0.515784 0.681303 1.01085e-15 186 63.546 8.01886e-05 -3.5399 63.546000 Cu 0.604516 0.700818 5.51232e-16 193 63.546 9.5847e-05 -3.5399 63.546000 Cu 0.501727 0.705718 0.25 221 63.546 4.86081e-05 -3.53987 63.546000 Cu 0.501727 0.705718 0.75 222 63.546 4.86081e-05 -3.53987 63.546000 Cu 0.81009 0.691131 0.5 150 63.546 2.79883e-05 -3.53978 63.546000 Cu 0.81009 0.691131 2.42647e-16 154 63.546 2.79883e-05 -3.53978 63.546000 Cu 0.707267 0.69598 0.25 179 63.546 5.16107e-05 -3.53985 63.546000 Cu 0.796094 0.715516 0.25 188 63.546 2.75824e-05 -3.53982 63.546000 Cu 0.796094 0.715516 0.75 189 63.546 2.75824e-05 -3.53982 63.546000 Cu 0.707267 0.69598 0.75 192 63.546 5.16107e-05 -3.53985 63.546000 Cu 0.912925 0.686255 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63.546000 Cu 0.487667 0.730127 8.2439e-16 233 63.546 0.000105845 -3.53989 63.546000 Cu 0.473401 0.754554 0.25 263 63.546 3.85691e-05 -3.53992 63.546000 Cu 0.384798 0.735051 0.25 264 63.546 8.03183e-05 -3.53987 63.546000 Cu 0.384798 0.735051 0.75 265 63.546 8.03183e-05 -3.53987 63.546000 Cu 0.370546 0.759466 0.5 266 63.546 0.000104687 -3.53989 63.546000 Cu 0.473401 0.754554 0.75 272 63.546 3.85691e-05 -3.53992 63.546000 Cu 0.370546 0.759466 8.67953e-16 273 63.546 0.000104687 -3.53989 63.546000 Cu 0.590494 0.725241 0.25 220 63.546 7.65348e-05 -3.5399 63.546000 Cu 0.576266 0.749664 0.5 230 63.546 4.35821e-05 -3.53991 63.546000 Cu 0.590494 0.725241 0.75 232 63.546 7.65348e-05 -3.5399 63.546000 Cu 0.576266 0.749664 1.37893e-16 234 63.546 4.35821e-05 -3.53991 63.546000 Cu 0.69328 0.720392 0.5 190 63.546 4.58336e-05 -3.53986 63.546000 Cu 0.781987 0.739923 0.5 191 63.546 5.68535e-05 -3.53988 63.546000 Cu 0.69328 0.720392 6.15729e-16 194 63.546 4.58336e-05 -3.53986 63.546000 Cu 0.781987 0.739923 1.17908e-15 201 63.546 5.68535e-05 -3.53988 63.546000 Cu 0.679155 0.7448 0.25 228 63.546 0.000103694 -3.53987 63.546000 Cu 0.679155 0.7448 0.75 229 63.546 0.000103694 -3.53987 63.546000 Cu 0.987667 0.730127 0.5 158 63.546 0.000105845 -3.53989 63.546000 Cu 0.987667 0.730127 5.76488e-16 162 63.546 0.000105845 -3.53989 63.546000 Cu 0.884798 0.735051 0.25 187 63.546 8.03183e-05 -3.53987 63.546000 Cu 0.973401 0.754554 0.25 196 63.546 3.85691e-05 -3.53992 63.546000 Cu 0.973401 0.754554 0.75 197 63.546 3.85691e-05 -3.53992 63.546000 Cu 0.870546 0.759466 0.5 198 63.546 0.000104687 -3.53989 63.546000 Cu 0.884798 0.735051 0.75 200 63.546 8.03183e-05 -3.53987 63.546000 Cu 0.870546 0.759466 6.25137e-16 202 63.546 0.000104687 -3.53989 63.546000 Cu 0.0618722 0.774087 0.25 195 63.546 8.56342e-05 -3.53994 63.546000 Cu 0.150137 0.793655 0.25 204 63.546 0.000102006 -3.53995 63.546000 Cu 0.150137 0.793655 0.75 205 63.546 0.000102006 -3.53995 63.546000 Cu 0.0472569 0.798533 0.5 206 63.546 0.00014585 -3.53994 63.546000 Cu 0.0618722 0.774087 0.75 208 63.546 8.56342e-05 -3.53994 63.546000 Cu 0.0472569 0.798533 2.60106e-16 210 63.546 0.00014585 -3.53994 63.546000 Cu 0.164728 0.769208 0.5 165 63.546 6.08642e-05 -3.53992 63.546000 Cu 0.164728 0.769208 7.17432e-16 169 63.546 6.08642e-05 -3.53992 63.546000 Cu 0.267656 0.764331 0.25 163 63.546 7.29787e-05 -3.53989 63.546000 Cu 0.267656 0.764331 0.75 164 63.546 7.29787e-05 -3.53989 63.546000 Cu 0.253064 0.788748 0.5 166 63.546 8.3342e-05 -3.53991 63.546000 Cu 0.253064 0.788748 3.13331e-16 170 63.546 8.3342e-05 -3.53991 63.546000 Cu 0.45901 0.778985 0.5 270 63.546 0.000144389 -3.53992 63.546000 Cu 0.45901 0.778985 3.89439e-16 274 63.546 0.000144389 -3.53992 63.546000 Cu 0.356042 0.783874 0.25 307 63.546 9.11039e-05 -3.53988 63.546000 Cu 0.356042 0.783874 0.75 313 63.546 9.11039e-05 -3.53988 63.546000 Cu 0.650137 0.793655 0.25 267 63.546 0.000102006 -3.53995 63.546000 Cu 0.561872 0.774087 0.25 268 63.546 8.56342e-05 -3.53994 63.546000 Cu 0.561872 0.774087 0.75 269 63.546 8.56342e-05 -3.53994 63.546000 Cu 0.547257 0.798533 0.5 271 63.546 0.00014585 -3.53994 63.546000 Cu 0.650137 0.793655 0.75 280 63.546 0.000102006 -3.53995 63.546000 Cu 0.547257 0.798533 5.40553e-16 281 63.546 0.00014585 -3.53994 63.546000 Cu 0.664728 0.769208 0.5 231 63.546 6.08642e-05 -3.53992 63.546000 Cu 0.664728 0.769208 1.02254e-15 241 63.546 6.08642e-05 -3.53992 63.546000 Cu 0.767656 0.764331 0.25 227 63.546 7.29787e-05 -3.53989 63.546000 Cu 0.753064 0.788748 0.5 238 63.546 8.3342e-05 -3.53991 63.546000 Cu 0.767656 0.764331 0.75 240 63.546 7.29787e-05 -3.53989 63.546000 Cu 0.753064 0.788748 1.3357e-16 242 63.546 8.3342e-05 -3.53991 63.546000 Cu 0.95901 0.778985 0.5 199 63.546 0.000144389 -3.53992 63.546000 Cu 0.95901 0.778985 6.53614e-16 209 63.546 0.000144389 -3.53992 63.546000 Cu 0.856042 0.783874 0.25 236 63.546 9.11039e-05 -3.53988 63.546000 Cu 0.856042 0.783874 0.75 237 63.546 9.11039e-05 -3.53988 63.546000 Cu 0.13528 0.818116 0.5 207 63.546 0.000206444 -3.53992 63.546000 Cu 0.13528 0.818116 4.18764e-16 214 63.546 0.000206444 -3.53992 63.546000 Cu 0.0323051 0.822965 0.25 244 63.546 7.03411e-05 -3.53989 63.546000 Cu 0.0323051 0.822965 0.75 245 63.546 7.03411e-05 -3.53989 63.546000 Cu 0.23825 0.813187 0.25 203 63.546 6.02102e-05 -3.5399 63.546000 Cu 0.22323 0.837624 0.5 211 63.546 2.28228e-05 -3.53986 63.546000 Cu 0.23825 0.813187 0.75 213 63.546 6.02102e-05 -3.5399 63.546000 Cu 0.22323 0.837624 9.81776e-16 215 63.546 2.28228e-05 -3.53986 63.546000 Cu 0.326257 0.832716 0.25 350 63.546 4.66198e-05 -3.53988 63.546000 Cu 0.326257 0.832716 0.75 351 63.546 4.66198e-05 -3.53988 63.546000 Cu 0.444275 0.803415 0.25 309 63.546 9.11353e-05 -3.5399 63.546000 Cu 0.444275 0.803415 0.75 310 63.546 9.11353e-05 -3.5399 63.546000 Cu 0.341247 0.80829 0.5 311 63.546 5.71266e-05 -3.53988 63.546000 Cu 0.429261 0.827842 0.5 312 63.546 1.26727e-05 -3.53989 63.546000 Cu 0.341247 0.80829 4.34443e-16 314 63.546 5.71266e-05 -3.53988 63.546000 Cu 0.429261 0.827842 6.47257e-16 321 63.546 1.26727e-05 -3.53989 63.546000 Cu 0.63528 0.818116 0.5 278 63.546 0.000206444 -3.53992 63.546000 Cu 0.63528 0.818116 9.04651e-16 282 63.546 0.000206444 -3.53992 63.546000 Cu 0.532305 0.822965 0.25 308 63.546 7.03411e-05 -3.53989 63.546000 Cu 0.532305 0.822965 0.75 320 63.546 7.03411e-05 -3.53989 63.546000 Cu 0.826257 0.832716 0.25 275 63.546 4.66198e-05 -3.53988 63.546000 Cu 0.73825 0.813187 0.25 276 63.546 6.02102e-05 -3.5399 63.546000 Cu 0.73825 0.813187 0.75 277 63.546 6.02102e-05 -3.5399 63.546000 Cu 0.72323 0.837624 0.5 279 63.546 2.28228e-05 -3.53986 63.546000 Cu 0.826257 0.832716 0.75 288 63.546 4.66198e-05 -3.53988 63.546000 Cu 0.72323 0.837624 6.90311e-16 289 63.546 2.28228e-05 -3.53986 63.546000 Cu 0.944275 0.803415 0.25 235 63.546 9.11353e-05 -3.5399 63.546000 Cu 0.841247 0.80829 0.5 239 63.546 5.71266e-05 -3.53988 63.546000 Cu 0.929261 0.827842 0.5 246 63.546 1.26727e-05 -3.53989 63.546000 Cu 0.944275 0.803415 0.75 248 63.546 9.11353e-05 -3.5399 63.546000 Cu 0.841247 0.80829 1 249 63.546 5.71266e-05 -3.53988 63.546000 Cu 0.929261 0.827842 1.43436e-15 250 63.546 1.26727e-05 -3.53989 63.546000 Cu 0.120182 0.84256 0.25 243 63.546 0.000315134 -3.5399 63.546000 Cu 0.0172169 0.847372 0.5 247 63.546 0.000265761 -3.53986 63.546000 Cu 0.105111 0.867024 0.5 254 63.546 0.000855951 -3.53992 63.546000 Cu 0.120182 0.84256 0.75 256 63.546 0.000315134 -3.5399 63.546000 Cu 0.0172169 0.847372 2.18577e-16 257 63.546 0.000265761 -3.53986 63.546000 Cu 0.105111 0.867024 1.34477e-15 258 63.546 0.000855951 -3.53992 63.546000 Cu 0.0021455 0.87177 0.25 283 63.546 0.00122377 -3.53976 63.546000 Cu 0.0021455 0.87177 0.75 296 63.546 0.00122377 -3.53976 63.546000 Cu 0.311148 0.857148 0.5 212 63.546 8.49554e-05 -3.53989 63.546000 Cu 0.311148 0.857148 7.782e-16 216 63.546 8.49554e-05 -3.53989 63.546000 Cu 0.208128 0.862074 0.25 252 63.546 1.57377e-05 -3.53987 63.546000 Cu 0.208128 0.862074 0.75 253 63.546 1.57377e-05 -3.53987 63.546000 Cu 0.414176 0.852278 0.25 349 63.546 6.85804e-05 -3.53988 63.546000 Cu 0.399015 0.876729 0.5 355 63.546 0.000446988 -3.53985 63.546000 Cu 0.414176 0.852278 0.75 357 63.546 6.85804e-05 -3.53988 63.546000 Cu 0.399015 0.876729 9.47112e-16 358 63.546 0.000446988 -3.53985 63.546000 Cu 0.620182 0.84256 0.25 316 63.546 0.000315134 -3.5399 63.546000 Cu 0.620182 0.84256 0.75 317 63.546 0.000315134 -3.5399 63.546000 Cu 0.517217 0.847372 0.5 318 63.546 0.000265761 -3.53986 63.546000 Cu 0.605111 0.867024 0.5 319 63.546 0.000855951 -3.53992 63.546000 Cu 0.517217 0.847372 7.0972e-16 322 63.546 0.000265761 -3.53986 63.546000 Cu 0.605111 0.867024 5.27332e-16 329 63.546 0.000855951 -3.53992 63.546000 Cu 0.502145 0.87177 0.25 353 63.546 0.00122377 -3.53976 63.546000 Cu 0.502145 0.87177 0.75 354 63.546 0.00122377 -3.53976 63.546000 Cu 0.811148 0.857148 0.5 286 63.546 8.49554e-05 -3.53989 63.546000 Cu 0.811148 0.857148 2.37308e-16 290 63.546 8.49554e-05 -3.53989 63.546000 Cu 0.708128 0.862074 0.25 315 63.546 1.57377e-05 -3.53987 63.546000 Cu 0.708128 0.862074 0.75 328 63.546 1.57377e-05 -3.53987 63.546000 Cu 0.914176 0.852278 0.25 284 63.546 6.85804e-05 -3.53988 63.546000 Cu 0.914176 0.852278 0.75 285 63.546 6.85804e-05 -3.53988 63.546000 Cu 0.899015 0.876729 0.5 287 63.546 0.000446988 -3.53985 63.546000 Cu 0.899015 0.876729 1.46165e-15 297 63.546 0.000446988 -3.53985 63.546000 Cu 0.0900334 0.891502 0.25 292 63.546 0.00253528 -3.53989 63.546000 Cu 0.0900334 0.891502 0.75 293 63.546 0.00253528 -3.53989 63.546000 Cu 0.0750279 0.915997 0.5 295 63.546 0.00879653 -3.53958 63.546000 Cu 0.0750279 0.915997 9.7381e-17 304 63.546 0.00879653 -3.53958 63.546000 Cu 0.296061 0.881602 0.25 251 63.546 0.000102604 -3.53993 63.546000 Cu 0.193087 0.886527 0.5 255 63.546 7.31045e-05 -3.53985 63.546000 Cu 0.28101 0.90606 0.5 259 63.546 0.000336602 -3.53995 63.546000 Cu 0.296061 0.881602 0.75 260 63.546 0.000102604 -3.53993 63.546000 Cu 0.193087 0.886527 1 261 63.546 7.31045e-05 -3.53985 63.546000 Cu 0.28101 0.90606 6.56834e-16 262 63.546 0.000336602 -3.53995 63.546000 Cu 0.178134 0.910953 0.25 291 63.546 0.000685713 -3.53976 63.546000 Cu 0.178134 0.910953 0.75 303 63.546 0.000685713 -3.53976 63.546000 Cu 0.487141 0.896136 0.5 356 63.546 0.00503314 -3.53945 63.546000 Cu 0.487141 0.896136 9.18296e-16 365 63.546 0.00503314 -3.53945 63.546000 Cu 0.383966 0.901215 0.25 382 63.546 0.0023277 -3.53971 63.546000 Cu 0.383966 0.901215 0.75 383 63.546 0.0023277 -3.53971 63.546000 Cu 0.590033 0.891502 0.25 352 63.546 0.00253528 -3.53989 63.546000 Cu 0.575028 0.915997 0.5 362 63.546 0.00879653 -3.53958 63.546000 Cu 0.590033 0.891502 0.75 364 63.546 0.00253528 -3.53989 63.546000 Cu 0.575028 0.915997 5.77166e-16 366 63.546 0.00879653 -3.53958 63.546000 Cu 0.796061 0.881602 0.25 324 63.546 0.000102604 -3.53993 63.546000 Cu 0.796061 0.881602 0.75 325 63.546 0.000102604 -3.53993 63.546000 Cu 0.693087 0.886527 0.5 326 63.546 7.31045e-05 -3.53985 63.546000 Cu 0.78101 0.90606 0.5 327 63.546 0.000336602 -3.53995 63.546000 Cu 0.693087 0.886527 3.30875e-16 330 63.546 7.31045e-05 -3.53985 63.546000 Cu 0.78101 0.90606 5.34875e-16 337 63.546 0.000336602 -3.53995 63.546000 Cu 0.678134 0.910953 0.25 360 63.546 0.000685713 -3.53976 63.546000 Cu 0.678134 0.910953 0.75 361 63.546 0.000685713 -3.53976 63.546000 Cu 0.987141 0.896136 0.5 294 63.546 0.00503314 -3.53945 63.546000 Cu 0.987141 0.896136 1.15094e-16 298 63.546 0.00503314 -3.53945 63.546000 Cu 0.883966 0.901215 0.25 323 63.546 0.0023277 -3.53971 63.546000 Cu 0.883966 0.901215 0.75 336 63.546 0.0023277 -3.53971 63.546000 Cu 0.0602283 0.940613 0.25 331 63.546 0.0421357 -3.53867 63.546000 Cu 0.0602283 0.940613 0.75 344 63.546 0.0421357 -3.53867 63.546000 Cu 0.163342 0.935322 0.5 301 63.546 0.00571585 -3.53948 63.546000 Cu 0.163342 0.935322 8.95159e-16 305 63.546 0.00571585 -3.53948 63.546000 Cu 0.149159 0.959686 0.25 340 63.546 0.0334075 -3.53532 63.546000 Cu 0.149159 0.959686 0.75 341 63.546 0.0334075 -3.53532 63.546000 Cu 0.266263 0.930559 0.25 299 63.546 0.00142533 -3.53977 63.546000 Cu 0.266263 0.930559 0.75 300 63.546 0.00142533 -3.53977 63.546000 Cu 0.251596 0.954981 0.5 302 63.546 0.00652423 -3.53943 63.546000 Cu 0.251596 0.954981 1.01025e-15 306 63.546 0.00652423 -3.53943 63.546000 Cu 0.472315 0.920429 0.25 381 63.546 0.0213417 -3.53776 63.546000 Cu 0.36882 0.925744 0.5 384 63.546 0.0132841 -3.53831 63.546000 Cu 0.457451 0.944512 0.5 388 63.546 0.107001 -3.53339 63.546000 Cu 0.472315 0.920429 0.75 390 63.546 0.0213417 -3.53776 63.546000 Cu 0.36882 0.925744 9.67199e-16 391 63.546 0.0132841 -3.53831 63.546000 Cu 0.457451 0.944512 6.78022e-19 392 63.546 0.107001 -3.53339 63.546000 Cu 0.354249 0.950545 0.25 401 63.546 0.0784403 -3.53576 63.546000 Cu 0.354249 0.950545 0.75 407 63.546 0.0784403 -3.53576 63.546000 Cu 0.560228 0.940613 0.25 386 63.546 0.0421357 -3.53867 63.546000 Cu 0.560228 0.940613 0.75 387 63.546 0.0421357 -3.53867 63.546000 Cu 0.663342 0.935322 0.5 363 63.546 0.00571585 -3.53948 63.546000 Cu 0.663342 0.935322 1.09034e-15 373 63.546 0.00571585 -3.53948 63.546000 Cu 0.649159 0.959686 0.25 385 63.546 0.0334075 -3.53532 63.546000 Cu 0.649159 0.959686 0.75 397 63.546 0.0334075 -3.53532 63.546000 Cu 0.766263 0.930559 0.25 359 63.546 0.00142533 -3.53977 63.546000 Cu 0.751596 0.954981 0.5 370 63.546 0.00652423 -3.53943 63.546000 Cu 0.766263 0.930559 0.75 372 63.546 0.00142533 -3.53977 63.546000 Cu 0.751596 0.954981 6.77683e-16 374 63.546 0.00652423 -3.53943 63.546000 Cu 0.972315 0.920429 0.25 332 63.546 0.0213417 -3.53776 63.546000 Cu 0.972315 0.920429 0.75 333 63.546 0.0213417 -3.53776 63.546000 Cu 0.86882 0.925744 0.5 334 63.546 0.0132841 -3.53831 63.546000 Cu 0.957451 0.944512 0.5 335 63.546 0.107001 -3.53339 63.546000 Cu 0.86882 0.925744 9.30501e-16 338 63.546 0.0132841 -3.53831 63.546000 Cu 0.957451 0.944512 9.98388e-17 345 63.546 0.107001 -3.53339 63.546000 Cu 0.854249 0.950545 0.25 368 63.546 0.0784403 -3.53576 63.546000 Cu 0.854249 0.950545 0.75 369 63.546 0.0784403 -3.53576 63.546000 Cu 0.0445208 0.965214 0.5 342 63.546 0.240286 -3.50761 63.546000 Cu 0.131782 0.983436 0.5 343 63.546 6.93231 -3.45299 63.546000 Cu 0.0445208 0.965214 2.01195e-15 346 63.546 0.240286 -3.50761 63.546000 Cu 0.131782 0.983436 1 348 63.546 6.93231 -3.45299 63.546000 Cu 0.0343253 0.991788 0.25 375 63.546 3.21629 -3.42313 63.546000 Cu 0.0343253 0.991788 0.75 376 63.546 3.21629 -3.42313 63.546000 Cu 0.238184 0.979387 0.25 339 63.546 5.6225 -3.50975 63.546000 Cu 0.238184 0.979387 0.75 347 63.546 5.6225 -3.50975 63.546000 Cu 0.444309 0.968444 0.25 403 63.546 0.483609 -3.49549 63.546000 Cu 0.444309 0.968444 0.75 404 63.546 0.483609 -3.49549 63.546000 Cu 0.33889 0.975301 0.5 405 63.546 5.10028 -3.40933 63.546000 Cu 0.432057 0.991524 0.5 406 63.546 8.50912 -3.40334 63.546000 Cu 0.33889 0.975301 1.5158e-15 408 63.546 5.10028 -3.40933 63.546000 Cu 0.432057 0.991524 2.65954e-16 410 63.546 8.50912 -3.40334 63.546000 Cu 0.544521 0.965214 0.5 389 63.546 0.240286 -3.50761 63.546000 Cu 0.631782 0.983436 0.5 396 63.546 6.93231 -3.45299 63.546000 Cu 0.544521 0.965214 1.29248e-15 398 63.546 0.240286 -3.50761 63.546000 Cu 0.631782 0.983436 3.46936e-15 399 63.546 6.93231 -3.45299 63.546000 Cu 0.534325 0.991788 0.25 402 63.546 3.21629 -3.42313 63.546000 Cu 0.534325 0.991788 0.75 409 63.546 3.21629 -3.42313 63.546000 Cu 0.738184 0.979387 0.25 394 63.546 5.6225 -3.50975 63.546000 Cu 0.738184 0.979387 0.75 395 63.546 5.6225 -3.50975 63.546000 Cu 0.944309 0.968444 0.25 367 63.546 0.483609 -3.49549 63.546000 Cu 0.83889 0.975301 0.5 371 63.546 5.10028 -3.40933 63.546000 Cu 0.932057 0.991524 0.5 377 63.546 8.50912 -3.40334 63.546000 Cu 0.944309 0.968444 0.75 378 63.546 0.483609 -3.49549 63.546000 Cu 0.83889 0.975301 4.2851e-16 379 63.546 5.10028 -3.40933 63.546000 Cu 0.932057 0.991524 5.12076e-16 380 63.546 8.50912 -3.40334