Number of particles = 816 A = 1 Angstrom (basic length-scale) H0(1,1) = 21.1229 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 89.5611 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.12412 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 63.540000 Cu 0.103496 0.0202378 0.5 531 63.54 5.51969 -3.29397 63.540000 Cu 0.103496 0.0202378 5.67056e-18 539 63.54 5.51969 -3.29397 63.540000 Cu 0.00167034 0.014142 0.75 492 63.54 5.19783 -3.49745 63.540000 Cu 0.00167034 0.014142 0.25 496 63.54 5.19783 -3.49745 63.540000 Cu 0.19255 0.00186041 0.5 413 63.54 10.1165 -3.45704 63.540000 Cu 0.19255 0.00186041 9.06444e-17 414 63.54 10.1165 -3.45704 63.540000 Cu 0.208891 0.0253636 0.75 415 63.54 0.12292 -3.51895 63.540000 Cu 0.208891 0.0253636 0.25 417 63.54 0.12292 -3.51895 63.540000 Cu 0.300974 0.00388884 0.75 416 63.54 6.05253 -3.37203 63.540000 Cu 0.300974 0.00388884 0.25 418 63.54 6.05253 -3.37203 63.540000 Cu 0.397115 0.0138628 0.5 421 63.54 3.50575 -3.48882 63.540000 Cu 0.308145 0.0305669 0.5 422 63.54 0.263723 -3.4978 63.540000 Cu 0.308145 0.0305669 1 423 63.54 0.263723 -3.4978 63.540000 Cu 0.397115 0.0138628 7.67642e-16 430 63.54 3.50575 -3.48882 63.540000 Cu 0.50167 0.014142 0.75 429 63.54 5.19783 -3.49745 63.540000 Cu 0.50167 0.014142 0.25 432 63.54 5.19783 -3.49745 63.540000 Cu 0.69255 0.00186041 0.5 447 63.54 10.1165 -3.45704 63.540000 Cu 0.603496 0.0202378 0.5 448 63.54 5.51969 -3.29397 63.540000 Cu 0.603496 0.0202378 1.647e-16 449 63.54 5.51969 -3.29397 63.540000 Cu 0.708891 0.0253636 0.75 451 63.54 0.12292 -3.51895 63.540000 Cu 0.69255 0.00186041 2.77773e-16 456 63.54 10.1165 -3.45704 63.540000 Cu 0.708891 0.0253636 0.25 457 63.54 0.12292 -3.51895 63.540000 Cu 0.800974 0.00388884 0.75 455 63.54 6.05253 -3.37203 63.540000 Cu 0.800974 0.00388884 0.25 458 63.54 6.05253 -3.37203 63.540000 Cu 0.808145 0.0305669 0.5 481 63.54 0.263723 -3.4978 63.540000 Cu 0.808145 0.0305669 1 493 63.54 0.263723 -3.4978 63.540000 Cu 0.897115 0.0138628 0.5 489 63.54 3.50575 -3.48882 63.540000 Cu 0.897115 0.0138628 3.34309e-17 490 63.54 3.50575 -3.48882 63.540000 Cu 0.01467 0.0391729 0.5 532 63.54 0.179637 -3.52961 63.540000 Cu 0.01467 0.0391729 2.53906e-18 533 63.54 0.179637 -3.52961 63.540000 Cu 0.0289314 0.063922 0.75 534 63.54 0.0530139 -3.53713 63.540000 Cu 0.118132 0.0445079 0.75 535 63.54 0.00758298 -3.53915 63.540000 Cu 0.0289314 0.063922 0.25 538 63.54 0.0530139 -3.53713 63.540000 Cu 0.118132 0.0445079 0.25 540 63.54 0.00758298 -3.53915 63.540000 Cu 0.219975 0.049988 0.5 419 63.54 0.0229813 -3.53889 63.540000 Cu 0.219975 0.049988 5.33202e-18 426 63.54 0.0229813 -3.53889 63.540000 Cu 0.414036 0.0366678 0.75 425 63.54 0.423758 -3.50545 63.540000 Cu 0.414036 0.0366678 0.25 431 63.54 0.423758 -3.50545 63.540000 Cu 0.323251 0.0548013 0.75 424 63.54 0.0274851 -3.53859 63.540000 Cu 0.323251 0.0548013 0.25 428 63.54 0.0274851 -3.53859 63.540000 Cu 0.426293 0.0603758 0.5 440 63.54 0.115377 -3.53083 63.540000 Cu 0.426293 0.0603758 1.80273e-17 441 63.54 0.115377 -3.53083 63.540000 Cu 0.51467 0.0391729 0.5 439 63.54 0.179637 -3.52961 63.540000 Cu 0.528931 0.063922 0.75 443 63.54 0.0530139 -3.53713 63.540000 Cu 0.51467 0.0391729 1.53274e-16 452 63.54 0.179637 -3.52961 63.540000 Cu 0.528931 0.063922 0.25 453 63.54 0.0530139 -3.53713 63.540000 Cu 0.618132 0.0445079 0.75 450 63.54 0.00758298 -3.53915 63.540000 Cu 0.618132 0.0445079 0.25 454 63.54 0.00758298 -3.53915 63.540000 Cu 0.719975 0.049988 0.5 482 63.54 0.0229813 -3.53889 63.540000 Cu 0.719975 0.049988 1 483 63.54 0.0229813 -3.53889 63.540000 Cu 0.823251 0.0548013 0.75 485 63.54 0.0274851 -3.53859 63.540000 Cu 0.823251 0.0548013 0.25 494 63.54 0.0274851 -3.53859 63.540000 Cu 0.914036 0.0366678 0.75 491 63.54 0.423758 -3.50545 63.540000 Cu 0.914036 0.0366678 0.25 495 63.54 0.423758 -3.50545 63.540000 Cu 0.926293 0.0603758 0.5 523 63.54 0.115377 -3.53083 63.540000 Cu 0.926293 0.0603758 1 536 63.54 0.115377 -3.53083 63.540000 Cu 0.131551 0.0691237 0.5 579 63.54 0.00365888 -3.53949 63.540000 Cu 0.131551 0.0691237 1.95507e-17 580 63.54 0.00365888 -3.53949 63.540000 Cu 0.0436172 0.0886045 0.5 571 63.54 0.010705 -3.53922 63.540000 Cu 0.0436172 0.0886045 1 582 63.54 0.010705 -3.53922 63.540000 Cu 0.234657 0.0742793 0.75 420 63.54 0.000894143 -3.53949 63.540000 Cu 0.234657 0.0742793 0.25 427 63.54 0.000894143 -3.53949 63.540000 Cu 0.249458 0.0986826 0.5 434 63.54 0.000362216 -3.53964 63.540000 Cu 0.249458 0.0986826 1.95507e-17 435 63.54 0.000362216 -3.53964 63.540000 Cu 0.146484 0.0936008 0.75 581 63.54 0.000477529 -3.53982 63.540000 Cu 0.146484 0.0936008 0.25 584 63.54 0.000477529 -3.53982 63.540000 Cu 0.337587 0.0792814 0.5 433 63.54 0.0031678 -3.53906 63.540000 Cu 0.337587 0.0792814 1 444 63.54 0.0031678 -3.53906 63.540000 Cu 0.441113 0.0843319 0.75 442 63.54 0.0220043 -3.53665 63.540000 Cu 0.441113 0.0843319 0.25 446 63.54 0.0220043 -3.53665 63.540000 Cu 0.543617 0.0886045 0.5 474 63.54 0.010705 -3.53922 63.540000 Cu 0.543617 0.0886045 1 475 63.54 0.010705 -3.53922 63.540000 Cu 0.631551 0.0691237 0.5 473 63.54 0.00365888 -3.53949 63.540000 Cu 0.631551 0.0691237 1 486 63.54 0.00365888 -3.53949 63.540000 Cu 0.646484 0.0936008 0.75 477 63.54 0.000477529 -3.53982 63.540000 Cu 0.646484 0.0936008 0.25 487 63.54 0.000477529 -3.53982 63.540000 Cu 0.734657 0.0742793 0.75 484 63.54 0.000894143 -3.53949 63.540000 Cu 0.734657 0.0742793 0.25 488 63.54 0.000894143 -3.53949 63.540000 Cu 0.749458 0.0986826 0.5 515 63.54 0.000362216 -3.53964 63.540000 Cu 0.837587 0.0792814 0.5 524 63.54 0.0031678 -3.53906 63.540000 Cu 0.837587 0.0792814 1 525 63.54 0.0031678 -3.53906 63.540000 Cu 0.749458 0.0986826 1.95507e-17 528 63.54 0.000362216 -3.53964 63.540000 Cu 0.941113 0.0843319 0.75 527 63.54 0.0220043 -3.53665 63.540000 Cu 0.941113 0.0843319 0.25 537 63.54 0.0220043 -3.53665 63.540000 Cu 0.058501 0.113126 0.75 575 63.54 0.00258656 -3.53987 63.540000 Cu 0.058501 0.113126 0.25 583 63.54 0.00258656 -3.53987 63.540000 Cu 0.0733277 0.137596 0.5 624 63.54 0.000630871 -3.53994 63.540000 Cu 0.0733277 0.137596 1.95507e-17 625 63.54 0.000630871 -3.53994 63.540000 Cu 0.264392 0.123063 0.75 436 63.54 8.96526e-05 -3.53975 63.540000 Cu 0.264392 0.123063 0.25 438 63.54 8.96526e-05 -3.53975 63.540000 Cu 0.161379 0.11807 0.5 623 63.54 0.000221997 -3.53985 63.540000 Cu 0.161379 0.11807 1.22552e-16 631 63.54 0.000221997 -3.53985 63.540000 Cu 0.352589 0.103625 0.75 437 63.54 0.000248548 -3.53961 63.540000 Cu 0.352589 0.103625 0.25 445 63.54 0.000248548 -3.53961 63.540000 Cu 0.367449 0.127989 0.5 466 63.54 6.88424e-05 -3.53975 63.540000 Cu 0.367449 0.127989 1 467 63.54 6.88424e-05 -3.53975 63.540000 Cu 0.45574 0.10855 0.5 465 63.54 0.00436518 -3.53914 63.540000 Cu 0.470485 0.13286 0.75 469 63.54 0.000811138 -3.53967 63.540000 Cu 0.558501 0.113126 0.75 476 63.54 0.00258656 -3.53987 63.540000 Cu 0.45574 0.10855 1.95507e-17 478 63.54 0.00436518 -3.53914 63.540000 Cu 0.470485 0.13286 0.25 479 63.54 0.000811138 -3.53967 63.540000 Cu 0.558501 0.113126 0.25 480 63.54 0.00258656 -3.53987 63.540000 Cu 0.573328 0.137596 0.5 507 63.54 0.000630871 -3.53994 63.540000 Cu 0.661379 0.11807 0.5 516 63.54 0.000221997 -3.53985 63.540000 Cu 0.661379 0.11807 1 517 63.54 0.000221997 -3.53985 63.540000 Cu 0.573328 0.137596 1.14427e-16 520 63.54 0.000630871 -3.53994 63.540000 Cu 0.852589 0.103625 0.75 526 63.54 0.000248548 -3.53961 63.540000 Cu 0.852589 0.103625 0.25 530 63.54 0.000248548 -3.53961 63.540000 Cu 0.764392 0.123063 0.75 519 63.54 8.96526e-05 -3.53975 63.540000 Cu 0.764392 0.123063 0.25 529 63.54 8.96526e-05 -3.53975 63.540000 Cu 0.867449 0.127989 0.5 563 63.54 6.88424e-05 -3.53975 63.540000 Cu 0.95574 0.10855 0.5 572 63.54 0.00436518 -3.53914 63.540000 Cu 0.95574 0.10855 1.54967e-16 573 63.54 0.00436518 -3.53914 63.540000 Cu 0.970485 0.13286 0.75 574 63.54 0.000811138 -3.53967 63.540000 Cu 0.867449 0.127989 1 576 63.54 6.88424e-05 -3.53975 63.540000 Cu 0.970485 0.13286 0.25 578 63.54 0.000811138 -3.53967 63.540000 Cu 0.0881182 0.162042 0.75 626 63.54 0.000168894 -3.53994 63.540000 Cu 0.0881182 0.162042 0.25 630 63.54 0.000168894 -3.53994 63.540000 Cu 0.27923 0.147463 0.5 459 63.54 3.51592e-05 -3.53983 63.540000 Cu 0.191047 0.166944 0.5 460 63.54 3.47465e-05 -3.53991 63.540000 Cu 0.191047 0.166944 1 461 63.54 3.47465e-05 -3.53991 63.540000 Cu 0.27923 0.147463 1 470 63.54 3.51592e-05 -3.53983 63.540000 Cu 0.176244 0.142512 0.75 627 63.54 8.29823e-05 -3.53989 63.540000 Cu 0.176244 0.142512 0.25 632 63.54 8.29823e-05 -3.53989 63.540000 Cu 0.294019 0.171869 0.75 463 63.54 1.67202e-05 -3.53987 63.540000 Cu 0.382246 0.15237 0.75 468 63.54 4.0553e-05 -3.53982 63.540000 Cu 0.294019 0.171869 0.25 471 63.54 1.67202e-05 -3.53987 63.540000 Cu 0.382246 0.15237 0.25 472 63.54 4.0553e-05 -3.53982 63.540000 Cu 0.485226 0.157232 0.5 508 63.54 0.00015493 -3.53984 63.540000 Cu 0.485226 0.157232 1 509 63.54 0.00015493 -3.53984 63.540000 Cu 0.588118 0.162042 0.75 511 63.54 0.000168894 -3.53994 63.540000 Cu 0.676244 0.142512 0.75 518 63.54 8.29823e-05 -3.53989 63.540000 Cu 0.588118 0.162042 0.25 521 63.54 0.000168894 -3.53994 63.540000 Cu 0.676244 0.142512 0.25 522 63.54 8.29823e-05 -3.53989 63.540000 Cu 0.691047 0.166944 0.5 555 63.54 3.47465e-05 -3.53991 63.540000 Cu 0.691047 0.166944 1.95507e-17 568 63.54 3.47465e-05 -3.53991 63.540000 Cu 0.77923 0.147463 0.5 564 63.54 3.51592e-05 -3.53983 63.540000 Cu 0.77923 0.147463 1.95507e-17 565 63.54 3.51592e-05 -3.53983 63.540000 Cu 0.794019 0.171869 0.75 566 63.54 1.67202e-05 -3.53987 63.540000 Cu 0.794019 0.171869 0.25 570 63.54 1.67202e-05 -3.53987 63.540000 Cu 0.882246 0.15237 0.75 567 63.54 4.0553e-05 -3.53982 63.540000 Cu 0.882246 0.15237 0.25 577 63.54 4.0553e-05 -3.53982 63.540000 Cu 0.985226 0.157232 0.5 615 63.54 0.00015493 -3.53984 63.540000 Cu 0.985226 0.157232 1 628 63.54 0.00015493 -3.53984 63.540000 Cu 0.102871 0.18648 0.5 667 63.54 4.56448e-05 -3.53994 63.540000 Cu 0.0146767 0.206048 0.5 668 63.54 5.7845e-06 -3.53992 63.540000 Cu 0.0146767 0.206048 2.58984e-17 669 63.54 5.7845e-06 -3.53992 63.540000 Cu 0.102871 0.18648 1.95507e-17 675 63.54 4.56448e-05 -3.53994 63.540000 Cu 0.205807 0.191377 0.75 462 63.54 1.14496e-05 -3.53993 63.540000 Cu 0.205807 0.191377 0.25 464 63.54 1.14496e-05 -3.53993 63.540000 Cu 0.396997 0.176765 0.5 499 63.54 2.02889e-05 -3.53987 63.540000 Cu 0.308763 0.196285 0.5 500 63.54 7.55089e-06 -3.53991 63.540000 Cu 0.308763 0.196285 1 501 63.54 7.55089e-06 -3.53991 63.540000 Cu 0.411727 0.201176 0.75 503 63.54 8.10314e-06 -3.53991 63.540000 Cu 0.396997 0.176765 1.55644e-16 512 63.54 2.02889e-05 -3.53987 63.540000 Cu 0.411727 0.201176 0.25 513 63.54 8.10314e-06 -3.53991 63.540000 Cu 0.499955 0.181632 0.75 510 63.54 2.99304e-05 -3.5399 63.540000 Cu 0.499955 0.181632 0.25 514 63.54 2.99304e-05 -3.5399 63.540000 Cu 0.514677 0.206048 0.5 547 63.54 5.7845e-06 -3.53992 63.540000 Cu 0.514677 0.206048 1 560 63.54 5.7845e-06 -3.53992 63.540000 Cu 0.602871 0.18648 0.5 556 63.54 4.56448e-05 -3.53994 63.540000 Cu 0.602871 0.18648 1 557 63.54 4.56448e-05 -3.53994 63.540000 Cu 0.705807 0.191377 0.75 559 63.54 1.14496e-05 -3.53993 63.540000 Cu 0.705807 0.191377 0.25 569 63.54 1.14496e-05 -3.53993 63.540000 Cu 0.808763 0.196285 0.5 607 63.54 7.55089e-06 -3.53991 63.540000 Cu 0.808763 0.196285 1 620 63.54 7.55089e-06 -3.53991 63.540000 Cu 0.896997 0.176765 0.5 616 63.54 2.02889e-05 -3.53987 63.540000 Cu 0.896997 0.176765 1 617 63.54 2.02889e-05 -3.53987 63.540000 Cu 0.911727 0.201176 0.75 618 63.54 8.10314e-06 -3.53991 63.540000 Cu 0.999955 0.181632 0.75 619 63.54 2.99304e-05 -3.5399 63.540000 Cu 0.911727 0.201176 0.25 622 63.54 8.10314e-06 -3.53991 63.540000 Cu 0.999955 0.181632 0.25 629 63.54 2.99304e-05 -3.5399 63.540000 Cu 0.0293983 0.230476 0.75 670 63.54 1.27333e-06 -3.53993 63.540000 Cu 0.117605 0.210917 0.75 671 63.54 1.52935e-05 -3.53994 63.540000 Cu 0.0293983 0.230476 0.25 674 63.54 1.27333e-06 -3.53993 63.540000 Cu 0.117605 0.210917 0.25 676 63.54 1.52935e-05 -3.53994 63.540000 Cu 0.132336 0.235353 0.5 715 63.54 7.54153e-06 -3.53994 63.540000 Cu 0.132336 0.235353 1.95507e-17 716 63.54 7.54153e-06 -3.53994 63.540000 Cu 0.220545 0.215813 0.5 497 63.54 1.4731e-06 -3.53993 63.540000 Cu 0.235281 0.240249 0.75 498 63.54 1.30873e-07 -3.53994 63.540000 Cu 0.220545 0.215813 1.95507e-17 504 63.54 1.4731e-06 -3.53993 63.540000 Cu 0.235281 0.240249 0.25 505 63.54 1.30873e-07 -3.53994 63.540000 Cu 0.323497 0.220712 0.75 502 63.54 3.36322e-06 -3.53993 63.540000 Cu 0.323497 0.220712 0.25 506 63.54 3.36322e-06 -3.53993 63.540000 Cu 0.426451 0.225598 0.5 548 63.54 1.44986e-06 -3.53992 63.540000 Cu 0.426451 0.225598 1.95507e-17 549 63.54 1.44986e-06 -3.53992 63.540000 Cu 0.529398 0.230476 0.75 551 63.54 1.27333e-06 -3.53993 63.540000 Cu 0.529398 0.230476 0.25 561 63.54 1.27333e-06 -3.53993 63.540000 Cu 0.617605 0.210917 0.75 558 63.54 1.52935e-05 -3.53994 63.540000 Cu 0.617605 0.210917 0.25 562 63.54 1.52935e-05 -3.53994 63.540000 Cu 0.632336 0.235353 0.5 599 63.54 7.54153e-06 -3.53994 63.540000 Cu 0.632336 0.235353 1 612 63.54 7.54153e-06 -3.53994 63.540000 Cu 0.720545 0.215813 0.5 608 63.54 1.4731e-06 -3.53993 63.540000 Cu 0.720545 0.215813 1 609 63.54 1.4731e-06 -3.53993 63.540000 Cu 0.735281 0.240249 0.75 610 63.54 1.30873e-07 -3.53994 63.540000 Cu 0.823497 0.220712 0.75 611 63.54 3.36322e-06 -3.53993 63.540000 Cu 0.735281 0.240249 0.25 614 63.54 1.30873e-07 -3.53994 63.540000 Cu 0.823497 0.220712 0.25 621 63.54 3.36322e-06 -3.53993 63.540000 Cu 0.926451 0.225598 0.5 659 63.54 1.44986e-06 -3.53992 63.540000 Cu 0.926451 0.225598 1.95507e-17 672 63.54 1.44986e-06 -3.53992 63.540000 Cu 0.044124 0.254907 0.5 707 63.54 7.5983e-07 -3.53993 63.540000 Cu 0.044124 0.254907 1 718 63.54 7.5983e-07 -3.53993 63.540000 Cu 0.250015 0.264685 0.5 542 63.54 3.96124e-07 -3.53994 63.540000 Cu 0.250015 0.264685 1 543 63.54 3.96124e-07 -3.53994 63.540000 Cu 0.147067 0.259789 0.75 717 63.54 3.33909e-06 -3.53994 63.540000 Cu 0.147067 0.259789 0.25 720 63.54 3.33909e-06 -3.53994 63.540000 Cu 0.338229 0.245144 0.5 541 63.54 3.47141e-06 -3.53993 63.540000 Cu 0.35296 0.269577 0.75 545 63.54 5.76644e-06 -3.53993 63.540000 Cu 0.338229 0.245144 1 552 63.54 3.47141e-06 -3.53993 63.540000 Cu 0.35296 0.269577 0.25 553 63.54 5.76644e-06 -3.53993 63.540000 Cu 0.441175 0.250024 0.75 550 63.54 2.20014e-07 -3.53993 63.540000 Cu 0.441175 0.250024 0.25 554 63.54 2.20014e-07 -3.53993 63.540000 Cu 0.455901 0.274451 0.5 591 63.54 3.42018e-06 -3.53992 63.540000 Cu 0.544124 0.254907 0.5 600 63.54 7.5983e-07 -3.53993 63.540000 Cu 0.544124 0.254907 1 601 63.54 7.5983e-07 -3.53993 63.540000 Cu 0.455901 0.274451 1 604 63.54 3.42018e-06 -3.53992 63.540000 Cu 0.647067 0.259789 0.75 603 63.54 3.33909e-06 -3.53994 63.540000 Cu 0.647067 0.259789 0.25 613 63.54 3.33909e-06 -3.53994 63.540000 Cu 0.750015 0.264685 0.5 651 63.54 3.96124e-07 -3.53994 63.540000 Cu 0.838229 0.245144 0.5 660 63.54 3.47141e-06 -3.53993 63.540000 Cu 0.838229 0.245144 1.55052e-16 661 63.54 3.47141e-06 -3.53993 63.540000 Cu 0.85296 0.269577 0.75 662 63.54 5.76644e-06 -3.53993 63.540000 Cu 0.750015 0.264685 1.95507e-17 664 63.54 3.96124e-07 -3.53994 63.540000 Cu 0.85296 0.269577 0.25 666 63.54 5.76644e-06 -3.53993 63.540000 Cu 0.941175 0.250024 0.75 663 63.54 2.20014e-07 -3.53993 63.540000 Cu 0.941175 0.250024 0.25 673 63.54 2.20014e-07 -3.53993 63.540000 Cu 0.955901 0.274451 0.5 708 63.54 3.42018e-06 -3.53992 63.540000 Cu 0.955901 0.274451 1 709 63.54 3.42018e-06 -3.53992 63.540000 Cu 0.0588526 0.279336 0.75 711 63.54 1.33619e-06 -3.53993 63.540000 Cu 0.0588526 0.279336 0.25 719 63.54 1.33619e-06 -3.53993 63.540000 Cu 0.0735855 0.303763 0.5 756 63.54 4.93084e-06 -3.53991 63.540000 Cu 0.0735855 0.303763 1.60638e-16 757 63.54 4.93084e-06 -3.53991 63.540000 Cu 0.264747 0.289119 0.75 544 63.54 2.44048e-06 -3.53993 63.540000 Cu 0.264747 0.289119 0.25 546 63.54 2.44048e-06 -3.53993 63.540000 Cu 0.1618 0.284224 0.5 755 63.54 1.93352e-06 -3.53993 63.540000 Cu 0.176535 0.308651 0.75 759 63.54 2.41672e-06 -3.53991 63.540000 Cu 0.1618 0.284224 1 763 63.54 1.93352e-06 -3.53993 63.540000 Cu 0.176535 0.308651 0.25 764 63.54 2.41672e-06 -3.53991 63.540000 Cu 0.367689 0.294007 0.5 592 63.54 1.09292e-05 -3.53993 63.540000 Cu 0.367689 0.294007 1.95507e-17 593 63.54 1.09292e-05 -3.53993 63.540000 Cu 0.470627 0.298873 0.75 595 63.54 1.77971e-05 -3.5399 63.540000 Cu 0.558853 0.279336 0.75 602 63.54 1.33619e-06 -3.53993 63.540000 Cu 0.470627 0.298873 0.25 605 63.54 1.77971e-05 -3.5399 63.540000 Cu 0.558853 0.279336 0.25 606 63.54 1.33619e-06 -3.53993 63.540000 Cu 0.573586 0.303763 0.5 643 63.54 4.93084e-06 -3.53991 63.540000 Cu 0.6618 0.284224 0.5 652 63.54 1.93352e-06 -3.53993 63.540000 Cu 0.6618 0.284224 3.29231e-17 653 63.54 1.93352e-06 -3.53993 63.540000 Cu 0.676535 0.308651 0.75 654 63.54 2.41672e-06 -3.53991 63.540000 Cu 0.573586 0.303763 1.95507e-17 656 63.54 4.93084e-06 -3.53991 63.540000 Cu 0.676535 0.308651 0.25 658 63.54 2.41672e-06 -3.53991 63.540000 Cu 0.764747 0.289119 0.75 655 63.54 2.44048e-06 -3.53993 63.540000 Cu 0.764747 0.289119 0.25 665 63.54 2.44048e-06 -3.53993 63.540000 Cu 0.867689 0.294007 0.5 699 63.54 1.09292e-05 -3.53993 63.540000 Cu 0.970627 0.298873 0.75 710 63.54 1.77971e-05 -3.5399 63.540000 Cu 0.867689 0.294007 1 712 63.54 1.09292e-05 -3.53993 63.540000 Cu 0.970627 0.298873 0.25 714 63.54 1.77971e-05 -3.5399 63.540000 Cu 0.0883288 0.328182 0.75 758 63.54 2.60775e-05 -3.53989 63.540000 Cu 0.0883288 0.328182 0.25 762 63.54 2.60775e-05 -3.53989 63.540000 Cu 0.279479 0.313547 0.5 585 63.54 5.23153e-06 -3.53991 63.540000 Cu 0.191276 0.333069 0.5 586 63.54 4.53109e-06 -3.53989 63.540000 Cu 0.191276 0.333069 1.95507e-17 587 63.54 4.53109e-06 -3.53989 63.540000 Cu 0.279479 0.313547 1 596 63.54 5.23153e-06 -3.53991 63.540000 Cu 0.294222 0.337968 0.75 589 63.54 8.45151e-06 -3.5399 63.540000 Cu 0.382419 0.318433 0.75 594 63.54 2.88784e-05 -3.53992 63.540000 Cu 0.294222 0.337968 0.25 597 63.54 8.45151e-06 -3.5399 63.540000 Cu 0.382419 0.318433 0.25 598 63.54 2.88784e-05 -3.53992 63.540000 Cu 0.397163 0.342854 0.5 635 63.54 0.000109602 -3.53992 63.540000 Cu 0.397163 0.342854 1.95507e-17 648 63.54 0.000109602 -3.53992 63.540000 Cu 0.48535 0.32328 0.5 644 63.54 8.78297e-05 -3.53986 63.540000 Cu 0.48535 0.32328 1.95507e-17 645 63.54 8.78297e-05 -3.53986 63.540000 Cu 0.588329 0.328182 0.75 647 63.54 2.60775e-05 -3.53989 63.540000 Cu 0.588329 0.328182 0.25 657 63.54 2.60775e-05 -3.53989 63.540000 Cu 0.691276 0.333069 0.5 691 63.54 4.53109e-06 -3.53989 63.540000 Cu 0.691276 0.333069 1 704 63.54 4.53109e-06 -3.53989 63.540000 Cu 0.779479 0.313547 0.5 700 63.54 5.23153e-06 -3.53991 63.540000 Cu 0.779479 0.313547 1 701 63.54 5.23153e-06 -3.53991 63.540000 Cu 0.794222 0.337968 0.75 702 63.54 8.45151e-06 -3.5399 63.540000 Cu 0.794222 0.337968 0.25 706 63.54 8.45151e-06 -3.5399 63.540000 Cu 0.882419 0.318433 0.75 703 63.54 2.88784e-05 -3.53992 63.540000 Cu 0.882419 0.318433 0.25 713 63.54 2.88784e-05 -3.53992 63.540000 Cu 0.98535 0.32328 0.5 747 63.54 8.78297e-05 -3.53986 63.540000 Cu 0.897163 0.342854 0.5 748 63.54 0.000109602 -3.53992 63.540000 Cu 0.897163 0.342854 1 749 63.54 0.000109602 -3.53992 63.540000 Cu 0.98535 0.32328 1.51666e-16 760 63.54 8.78297e-05 -3.53986 63.540000 Cu 7.76131e-05 0.347663 0.75 751 63.54 0.000443808 -3.53975 63.540000 Cu 7.76131e-05 0.347663 0.25 761 63.54 0.000443808 -3.53975 63.540000 Cu 0.103095 0.352599 0.5 785 63.54 0.000182794 -3.53987 63.540000 Cu 0.0147944 0.372007 0.5 786 63.54 0.00232551 -3.53941 63.540000 Cu 0.0147944 0.372007 1.95507e-17 787 63.54 0.00232551 -3.53941 63.540000 Cu 0.117896 0.377027 0.75 789 63.54 0.00131752 -3.53979 63.540000 Cu 0.103095 0.352599 1 793 63.54 0.000182794 -3.53987 63.540000 Cu 0.117896 0.377027 0.25 794 63.54 0.00131752 -3.53979 63.540000 Cu 0.206041 0.357479 0.75 588 63.54 2.82041e-05 -3.53986 63.540000 Cu 0.206041 0.357479 0.25 590 63.54 2.82041e-05 -3.53986 63.540000 Cu 0.308996 0.362389 0.5 636 63.54 2.56309e-05 -3.53989 63.540000 Cu 0.308996 0.362389 1 637 63.54 2.56309e-05 -3.53989 63.540000 Cu 0.411921 0.36728 0.75 639 63.54 0.000501937 -3.53993 63.540000 Cu 0.411921 0.36728 0.25 649 63.54 0.000501937 -3.53993 63.540000 Cu 0.500078 0.347663 0.75 646 63.54 0.000443808 -3.53975 63.540000 Cu 0.500078 0.347663 0.25 650 63.54 0.000443808 -3.53975 63.540000 Cu 0.514794 0.372007 0.5 683 63.54 0.00232551 -3.53941 63.540000 Cu 0.514794 0.372007 1 696 63.54 0.00232551 -3.53941 63.540000 Cu 0.603095 0.352599 0.5 692 63.54 0.000182794 -3.53987 63.540000 Cu 0.603095 0.352599 1 693 63.54 0.000182794 -3.53987 63.540000 Cu 0.617896 0.377027 0.75 694 63.54 0.00131752 -3.53979 63.540000 Cu 0.706041 0.357479 0.75 695 63.54 2.82041e-05 -3.53986 63.540000 Cu 0.617896 0.377027 0.25 698 63.54 0.00131752 -3.53979 63.540000 Cu 0.706041 0.357479 0.25 705 63.54 2.82041e-05 -3.53986 63.540000 Cu 0.808996 0.362389 0.5 739 63.54 2.56309e-05 -3.53989 63.540000 Cu 0.808996 0.362389 1 752 63.54 2.56309e-05 -3.53989 63.540000 Cu 0.911921 0.36728 0.75 750 63.54 0.000501937 -3.53993 63.540000 Cu 0.911921 0.36728 0.25 754 63.54 0.000501937 -3.53993 63.540000 Cu 0.0294069 0.396271 0.75 788 63.54 0.0122722 -3.53813 63.540000 Cu 0.0294069 0.396271 0.25 792 63.54 0.0122722 -3.53813 63.540000 Cu 0.132709 0.401494 0.5 809 63.54 0.00865116 -3.53925 63.540000 Cu 0.132709 0.401494 1.95507e-17 810 63.54 0.00865116 -3.53925 63.540000 Cu 0.22081 0.381875 0.5 633 63.54 0.000296539 -3.53982 63.540000 Cu 0.235444 0.406257 0.75 634 63.54 0.00229809 -3.53952 63.540000 Cu 0.22081 0.381875 1 640 63.54 0.000296539 -3.53982 63.540000 Cu 0.235444 0.406257 0.25 641 63.54 0.00229809 -3.53952 63.540000 Cu 0.323738 0.386815 0.75 638 63.54 9.04512e-05 -3.53989 63.540000 Cu 0.323738 0.386815 0.25 642 63.54 9.04512e-05 -3.53989 63.540000 Cu 0.338426 0.41124 0.5 677 63.54 0.000490323 -3.53984 63.540000 Cu 0.426653 0.391725 0.5 684 63.54 0.00256727 -3.53986 63.540000 Cu 0.426653 0.391725 1 685 63.54 0.00256727 -3.53986 63.540000 Cu 0.338426 0.41124 3.04687e-18 688 63.54 0.000490323 -3.53984 63.540000 Cu 0.529407 0.396271 0.75 687 63.54 0.0122722 -3.53813 63.540000 Cu 0.529407 0.396271 0.25 697 63.54 0.0122722 -3.53813 63.540000 Cu 0.632709 0.401494 0.5 731 63.54 0.00865116 -3.53925 63.540000 Cu 0.632709 0.401494 1.95507e-17 744 63.54 0.00865116 -3.53925 63.540000 Cu 0.72081 0.381875 0.5 740 63.54 0.000296539 -3.53982 63.540000 Cu 0.72081 0.381875 1.95507e-17 741 63.54 0.000296539 -3.53982 63.540000 Cu 0.735444 0.406257 0.75 742 63.54 0.00229809 -3.53952 63.540000 Cu 0.823738 0.386815 0.75 743 63.54 9.04512e-05 -3.53989 63.540000 Cu 0.735444 0.406257 0.25 746 63.54 0.00229809 -3.53952 63.540000 Cu 0.823738 0.386815 0.25 753 63.54 9.04512e-05 -3.53989 63.540000 Cu 0.838426 0.41124 0.5 778 63.54 0.000490323 -3.53984 63.540000 Cu 0.838426 0.41124 1 779 63.54 0.000490323 -3.53984 63.540000 Cu 0.926653 0.391725 0.5 777 63.54 0.00256727 -3.53986 63.540000 Cu 0.926653 0.391725 1 790 63.54 0.00256727 -3.53986 63.540000 Cu 0.0438333 0.420379 0.5 801 63.54 0.0640317 -3.53356 63.540000 Cu 0.0572032 0.444239 0.75 805 63.54 0.290627 -3.51761 63.540000 Cu 0.0438333 0.420379 6.26301e-17 812 63.54 0.0640317 -3.53356 63.540000 Cu 0.0572032 0.444239 0.25 813 63.54 0.290627 -3.51761 63.540000 Cu 0.249942 0.430552 0.5 678 63.54 0.0182936 -3.53841 63.540000 Cu 0.249942 0.430552 1.95507e-17 679 63.54 0.0182936 -3.53841 63.540000 Cu 0.147309 0.426106 0.75 811 63.54 0.0530326 -3.53684 63.540000 Cu 0.147309 0.426106 0.25 814 63.54 0.0530326 -3.53684 63.540000 Cu 0.3528 0.435699 0.75 681 63.54 0.00193017 -3.53975 63.540000 Cu 0.3528 0.435699 0.25 689 63.54 0.00193017 -3.53975 63.540000 Cu 0.441256 0.416238 0.75 686 63.54 0.0141519 -3.5392 63.540000 Cu 0.441256 0.416238 0.25 690 63.54 0.0141519 -3.5392 63.540000 Cu 0.455812 0.440866 0.5 724 63.54 0.0696013 -3.53483 63.540000 Cu 0.543833 0.420379 0.5 732 63.54 0.0640317 -3.53356 63.540000 Cu 0.543833 0.420379 1.95507e-17 733 63.54 0.0640317 -3.53356 63.540000 Cu 0.557203 0.444239 0.75 734 63.54 0.290627 -3.51761 63.540000 Cu 0.455812 0.440866 1.95507e-17 736 63.54 0.0696013 -3.53483 63.540000 Cu 0.557203 0.444239 0.25 738 63.54 0.290627 -3.51761 63.540000 Cu 0.647309 0.426106 0.75 735 63.54 0.0530326 -3.53684 63.540000 Cu 0.647309 0.426106 0.25 745 63.54 0.0530326 -3.53684 63.540000 Cu 0.749942 0.430552 0.5 769 63.54 0.0182936 -3.53841 63.540000 Cu 0.8528 0.435699 0.75 780 63.54 0.00193017 -3.53975 63.540000 Cu 0.749942 0.430552 1 782 63.54 0.0182936 -3.53841 63.540000 Cu 0.8528 0.435699 0.25 784 63.54 0.00193017 -3.53975 63.540000 Cu 0.941256 0.416238 0.75 781 63.54 0.0141519 -3.5392 63.540000 Cu 0.941256 0.416238 0.25 791 63.54 0.0141519 -3.5392 63.540000 Cu 0.955812 0.440866 0.5 802 63.54 0.0696013 -3.53483 63.540000 Cu 0.955812 0.440866 1.95507e-17 803 63.54 0.0696013 -3.53483 63.540000 Cu 0.070922 0.467322 1.4151e-16 411 63.54 1.43291 -3.48777 63.540000 Cu 0.070922 0.467322 0.5 412 63.54 1.43291 -3.48777 63.540000 Cu 0.172178 0.476402 0.25 1 63.54 1.72016 -3.50314 63.540000 Cu 0.162418 0.450892 9.26756e-17 3 63.54 0.303962 -3.52059 63.540000 Cu 0.172178 0.476402 0.75 393 63.54 1.72016 -3.50314 63.540000 Cu 0.263174 0.45478 0.75 680 63.54 0.102787 -3.5233 63.540000 Cu 0.263174 0.45478 0.25 682 63.54 0.102787 -3.5233 63.540000 Cu 0.274371 0.478401 0.5 721 63.54 4.74194 -3.50457 63.540000 Cu 0.274371 0.478401 1 729 63.54 4.74194 -3.50457 63.540000 Cu 0.162418 0.450892 0.5 816 63.54 0.303962 -3.52059 63.540000 Cu 0.367098 0.46007 0.5 725 63.54 0.0497983 -3.53811 63.540000 Cu 0.367098 0.46007 1.86198e-18 726 63.54 0.0497983 -3.53811 63.540000 Cu 0.469357 0.465775 0.75 728 63.54 0.433168 -3.52324 63.540000 Cu 0.469357 0.465775 0.25 737 63.54 0.433168 -3.52324 63.540000 Cu 0.570922 0.467322 0.5 765 63.54 1.43291 -3.48777 63.540000 Cu 0.570922 0.467322 1.69355e-16 774 63.54 1.43291 -3.48777 63.540000 Cu 0.662418 0.450892 0.5 770 63.54 0.303962 -3.52059 63.540000 Cu 0.662418 0.450892 1.95507e-17 771 63.54 0.303962 -3.52059 63.540000 Cu 0.672178 0.476402 0.75 772 63.54 1.72016 -3.50314 63.540000 Cu 0.672178 0.476402 0.25 776 63.54 1.72016 -3.50314 63.540000 Cu 0.763174 0.45478 0.75 773 63.54 0.102787 -3.5233 63.540000 Cu 0.763174 0.45478 0.25 783 63.54 0.102787 -3.5233 63.540000 Cu 0.774371 0.478401 0.5 797 63.54 4.74194 -3.50457 63.540000 Cu 0.774371 0.478401 1 798 63.54 4.74194 -3.50457 63.540000 Cu 0.867098 0.46007 0.5 796 63.54 0.0497983 -3.53811 63.540000 Cu 0.969357 0.465775 0.75 804 63.54 0.433168 -3.52324 63.540000 Cu 0.867098 0.46007 1.47265e-17 806 63.54 0.0497983 -3.53811 63.540000 Cu 0.969357 0.465775 0.25 808 63.54 0.433168 -3.52324 63.540000 Cu 0.0729029 0.490161 0.25 20 63.54 6.09757 -3.41564 63.540000 Cu 0.0999889 0.512084 0.5 46 63.54 6.4053 -3.45951 63.540000 Cu 0.0999889 0.512084 1.96608e-16 47 63.54 6.4053 -3.45951 63.540000 Cu 0.0729029 0.490161 0.75 400 63.54 6.09757 -3.41564 63.540000 Cu 0.202143 0.500695 0.5 722 63.54 8.64621 -3.31971 63.540000 Cu 0.202143 0.500695 1.00801e-16 723 63.54 8.64621 -3.31971 63.540000 Cu 0.315807 0.503942 0.5 19 63.54 8.29419 -3.44949 63.540000 Cu 0.315807 0.503942 2.1819e-16 26 63.54 8.29419 -3.44949 63.540000 Cu 0.375483 0.484502 0.75 727 63.54 6.60819 -3.43552 63.540000 Cu 0.375483 0.484502 0.25 730 63.54 6.60819 -3.43552 63.540000 Cu 0.496532 0.514263 0.75 6 63.54 5.10645 -3.49715 63.540000 Cu 0.496532 0.514263 0.25 13 63.54 5.10645 -3.49715 63.540000 Cu 0.473679 0.490667 0.5 766 63.54 1.74953 -3.44277 63.540000 Cu 0.473679 0.490667 3.35494e-16 767 63.54 1.74953 -3.44277 63.540000 Cu 0.599989 0.512084 0.5 5 63.54 6.4053 -3.45951 63.540000 Cu 0.599989 0.512084 3.20768e-17 12 63.54 6.4053 -3.45951 63.540000 Cu 0.572903 0.490161 0.75 768 63.54 6.09757 -3.41564 63.540000 Cu 0.572903 0.490161 0.25 775 63.54 6.09757 -3.41564 63.540000 Cu 0.702143 0.500695 0.5 795 63.54 8.64621 -3.31971 63.540000 Cu 0.702143 0.500695 4.29947e-17 800 63.54 8.64621 -3.31971 63.540000 Cu 0.815807 0.503942 0.5 82 63.54 8.29419 -3.44949 63.540000 Cu 0.815807 0.503942 1.65716e-16 83 63.54 8.29419 -3.44949 63.540000 Cu 0.996532 0.514263 0.75 48 63.54 5.10645 -3.49715 63.540000 Cu 0.996532 0.514263 0.25 50 63.54 5.10645 -3.49715 63.540000 Cu 0.973679 0.490667 1.52343e-17 27 63.54 1.74953 -3.44277 63.540000 Cu 0.875483 0.484502 0.75 799 63.54 6.60819 -3.43552 63.540000 Cu 0.875483 0.484502 0.25 807 63.54 6.60819 -3.43552 63.540000 Cu 0.973679 0.490667 0.5 815 63.54 1.74953 -3.44277 63.540000 Cu 0.0898827 0.535453 0.75 49 63.54 0.219458 -3.51621 63.540000 Cu 0.0898827 0.535453 0.25 57 63.54 0.219458 -3.51621 63.540000 Cu 0.194098 0.528524 0.5 45 63.54 4.09933 -3.45724 63.540000 Cu 0.281194 0.550355 0.5 52 63.54 0.108206 -3.53146 63.540000 Cu 0.281194 0.550355 3.27369e-16 53 63.54 0.108206 -3.53146 63.540000 Cu 0.194098 0.528524 3.63762e-16 56 63.54 4.09933 -3.45724 63.540000 Cu 0.400277 0.521483 0.5 22 63.54 7.19772 -3.33039 63.540000 Cu 0.400277 0.521483 1.97708e-16 23 63.54 7.19772 -3.33039 63.540000 Cu 0.293742 0.5266 0.75 24 63.54 2.37851 -3.45902 63.540000 Cu 0.38411 0.545176 0.75 25 63.54 0.0174932 -3.53445 63.540000 Cu 0.293742 0.5266 0.25 28 63.54 2.37851 -3.45902 63.540000 Cu 0.38411 0.545176 0.25 35 63.54 0.0174932 -3.53445 63.540000 Cu 0.489223 0.539733 0.5 21 63.54 0.157466 -3.52739 63.540000 Cu 0.489223 0.539733 2.58815e-16 34 63.54 0.157466 -3.52739 63.540000 Cu 0.694098 0.528524 0.5 8 63.54 4.09933 -3.45724 63.540000 Cu 0.694098 0.528524 3.25676e-16 9 63.54 4.09933 -3.45724 63.540000 Cu 0.589883 0.535453 0.75 10 63.54 0.219458 -3.51621 63.540000 Cu 0.589883 0.535453 0.25 14 63.54 0.219458 -3.51621 63.540000 Cu 0.793742 0.5266 0.75 2 63.54 2.37851 -3.45902 63.540000 Cu 0.793742 0.5266 0.25 4 63.54 2.37851 -3.45902 63.540000 Cu 0.781194 0.550355 0.5 7 63.54 0.108206 -3.53146 63.540000 Cu 0.781194 0.550355 2.91653e-16 16 63.54 0.108206 -3.53146 63.540000 Cu 0.900277 0.521483 0.5 81 63.54 7.19772 -3.33039 63.540000 Cu 0.989223 0.539733 0.5 85 63.54 0.157466 -3.52739 63.540000 Cu 0.989223 0.539733 2.49674e-16 86 63.54 0.157466 -3.52739 63.540000 Cu 0.88411 0.545176 0.75 87 63.54 0.0174932 -3.53445 63.540000 Cu 0.900277 0.521483 5.12043e-17 89 63.54 7.19772 -3.33039 63.540000 Cu 0.88411 0.545176 0.25 90 63.54 0.0174932 -3.53445 63.540000 Cu 0.0756297 0.559681 0.5 84 63.54 0.0314241 -3.53737 63.540000 Cu 0.0600597 0.583936 0.75 94 63.54 0.00327754 -3.53924 63.540000 Cu 0.0756297 0.559681 2.64485e-16 96 63.54 0.0314241 -3.53737 63.540000 Cu 0.0600597 0.583936 0.25 98 63.54 0.00327754 -3.53924 63.540000 Cu 0.17886 0.553909 0.75 54 63.54 0.119835 -3.52959 63.540000 Cu 0.265874 0.574407 0.75 55 63.54 0.0160635 -3.53779 63.540000 Cu 0.17886 0.553909 0.25 58 63.54 0.119835 -3.52959 63.540000 Cu 0.265874 0.574407 0.25 65 63.54 0.0160635 -3.53779 63.540000 Cu 0.163339 0.578736 0.5 92 63.54 0.0201786 -3.53798 63.540000 Cu 0.163339 0.578736 3.91269e-16 93 63.54 0.0201786 -3.53798 63.540000 Cu 0.369231 0.569521 0.5 51 63.54 0.00260674 -3.53871 63.540000 Cu 0.369231 0.569521 4.30709e-16 64 63.54 0.00260674 -3.53871 63.540000 Cu 0.472568 0.564265 0.75 32 63.54 0.01173 -3.53931 63.540000 Cu 0.56006 0.583936 0.75 33 63.54 0.00327754 -3.53924 63.540000 Cu 0.472568 0.564265 0.25 36 63.54 0.01173 -3.53931 63.540000 Cu 0.56006 0.583936 0.25 42 63.54 0.00327754 -3.53924 63.540000 Cu 0.67886 0.553909 0.75 11 63.54 0.119835 -3.52959 63.540000 Cu 0.67886 0.553909 0.25 17 63.54 0.119835 -3.52959 63.540000 Cu 0.663339 0.578736 0.5 29 63.54 0.0201786 -3.53798 63.540000 Cu 0.57563 0.559681 0.5 30 63.54 0.0314241 -3.53737 63.540000 Cu 0.57563 0.559681 3.81197e-16 31 63.54 0.0314241 -3.53737 63.540000 Cu 0.663339 0.578736 3.63593e-16 41 63.54 0.0201786 -3.53798 63.540000 Cu 0.765874 0.574407 0.75 15 63.54 0.0160635 -3.53779 63.540000 Cu 0.765874 0.574407 0.25 18 63.54 0.0160635 -3.53779 63.540000 Cu 0.972568 0.564265 0.75 88 63.54 0.01173 -3.53931 63.540000 Cu 0.972568 0.564265 0.25 97 63.54 0.01173 -3.53931 63.540000 Cu 0.869231 0.569521 0.5 128 63.54 0.00260674 -3.53871 63.540000 Cu 0.869231 0.569521 4.44589e-16 129 63.54 0.00260674 -3.53871 63.540000 Cu 0.044761 0.60832 0.5 132 63.54 0.000455538 -3.5397 63.540000 Cu 0.044761 0.60832 5.40989e-16 133 63.54 0.000455538 -3.5397 63.540000 Cu 0.250672 0.598675 0.5 91 63.54 0.00271683 -3.53948 63.540000 Cu 0.14783 0.603289 0.75 95 63.54 0.00414223 -3.53968 63.540000 Cu 0.250672 0.598675 3.52252e-16 104 63.54 0.00271683 -3.53948 63.540000 Cu 0.14783 0.603289 0.25 105 63.54 0.00414223 -3.53968 63.540000 Cu 0.353787 0.593824 0.75 62 63.54 0.000727284 -3.53939 63.540000 Cu 0.353787 0.593824 0.25 66 63.54 0.000727284 -3.53939 63.540000 Cu 0.338602 0.618179 0.5 100 63.54 0.000384982 -3.53968 63.540000 Cu 0.338602 0.618179 3.45227e-16 101 63.54 0.000384982 -3.53968 63.540000 Cu 0.544761 0.60832 0.5 59 63.54 0.000455538 -3.5397 63.540000 Cu 0.457099 0.588782 0.5 60 63.54 0.00148218 -3.53955 63.540000 Cu 0.457099 0.588782 4.38665e-16 61 63.54 0.00148218 -3.53955 63.540000 Cu 0.441728 0.613214 0.75 63 63.54 0.000320098 -3.53976 63.540000 Cu 0.544761 0.60832 4.42642e-16 72 63.54 0.000455538 -3.5397 63.540000 Cu 0.441728 0.613214 0.25 73 63.54 0.000320098 -3.53976 63.540000 Cu 0.64783 0.603289 0.75 39 63.54 0.00414223 -3.53968 63.540000 Cu 0.64783 0.603289 0.25 43 63.54 0.00414223 -3.53968 63.540000 Cu 0.750672 0.598675 0.5 37 63.54 0.00271683 -3.53948 63.540000 Cu 0.750672 0.598675 2.84121e-16 38 63.54 0.00271683 -3.53948 63.540000 Cu 0.853787 0.593824 0.75 130 63.54 0.000727284 -3.53939 63.540000 Cu 0.853787 0.593824 0.25 137 63.54 0.000727284 -3.53939 63.540000 Cu 0.838602 0.618179 0.5 171 63.54 0.000384982 -3.53968 63.540000 Cu 0.838602 0.618179 2.84544e-16 177 63.54 0.000384982 -3.53968 63.540000 Cu 0.957099 0.588782 0.5 127 63.54 0.00148218 -3.53955 63.540000 Cu 0.941728 0.613214 0.75 134 63.54 0.000320098 -3.53976 63.540000 Cu 0.957099 0.588782 5.46998e-16 136 63.54 0.00148218 -3.53955 63.540000 Cu 0.941728 0.613214 0.25 138 63.54 0.000320098 -3.53976 63.540000 Cu 0.132673 0.627766 0.5 131 63.54 0.00101083 -3.53989 63.540000 Cu 0.0296976 0.63272 0.75 135 63.54 8.4487e-05 -3.53983 63.540000 Cu 0.117794 0.652217 0.75 142 63.54 0.000235255 -3.53993 63.540000 Cu 0.132673 0.627766 4.45689e-16 144 63.54 0.00101083 -3.53989 63.540000 Cu 0.0296976 0.63272 0.25 145 63.54 8.4487e-05 -3.53983 63.540000 Cu 0.117794 0.652217 0.25 146 63.54 0.000235255 -3.53993 63.540000 Cu 0.235558 0.623014 0.75 102 63.54 0.000566041 -3.53978 63.540000 Cu 0.235558 0.623014 0.25 106 63.54 0.000566041 -3.53978 63.540000 Cu 0.220689 0.647397 0.5 140 63.54 0.000121137 -3.53987 63.540000 Cu 0.220689 0.647397 4.36549e-16 141 63.54 0.000121137 -3.53987 63.540000 Cu 0.426715 0.637627 0.5 99 63.54 6.29879e-05 -3.53984 63.540000 Cu 0.32367 0.642549 0.75 103 63.54 0.00013878 -3.53979 63.540000 Cu 0.426715 0.637627 3.75442e-16 112 63.54 6.29879e-05 -3.53984 63.540000 Cu 0.32367 0.642549 0.25 113 63.54 0.00013878 -3.53979 63.540000 Cu 0.529698 0.63272 0.75 70 63.54 8.4487e-05 -3.53983 63.540000 Cu 0.529698 0.63272 0.25 74 63.54 8.4487e-05 -3.53983 63.540000 Cu 0.632673 0.627766 0.5 68 63.54 0.00101083 -3.53989 63.540000 Cu 0.632673 0.627766 4.14205e-16 69 63.54 0.00101083 -3.53989 63.540000 Cu 0.617794 0.652217 0.75 71 63.54 0.000235255 -3.53993 63.540000 Cu 0.617794 0.652217 0.25 78 63.54 0.000235255 -3.53993 63.540000 Cu 0.735558 0.623014 0.75 40 63.54 0.000566041 -3.53978 63.540000 Cu 0.735558 0.623014 0.25 44 63.54 0.000566041 -3.53978 63.540000 Cu 0.720689 0.647397 0.5 67 63.54 0.000121137 -3.53987 63.540000 Cu 0.720689 0.647397 4.45859e-16 77 63.54 0.000121137 -3.53987 63.540000 Cu 0.82367 0.642549 0.75 175 63.54 0.00013878 -3.53979 63.540000 Cu 0.82367 0.642549 0.25 178 63.54 0.00013878 -3.53979 63.540000 Cu 0.926715 0.637627 0.5 173 63.54 6.29879e-05 -3.53984 63.540000 Cu 0.926715 0.637627 2.80989e-16 174 63.54 6.29879e-05 -3.53984 63.540000 Cu 0.014844 0.657135 0.5 172 63.54 1.46784e-05 -3.53989 63.540000 Cu 0.10302 0.676655 0.5 180 63.54 5.60158e-05 -3.53994 63.540000 Cu 0.10302 0.676655 4.38749e-16 181 63.54 5.60158e-05 -3.53994 63.540000 Cu 7.65595e-05 0.681558 0.75 182 63.54 3.52312e-06 -3.53991 63.540000 Cu 0.014844 0.657135 4.52629e-16 184 63.54 1.46784e-05 -3.53989 63.540000 Cu 7.65595e-05 0.681558 0.25 186 63.54 3.52312e-06 -3.53991 63.540000 Cu 0.205934 0.671802 0.75 143 63.54 2.57385e-05 -3.5399 63.540000 Cu 0.205934 0.671802 0.25 153 63.54 2.57385e-05 -3.5399 63.540000 Cu 0.411877 0.662036 0.75 110 63.54 1.6997e-05 -3.53988 63.540000 Cu 0.411877 0.662036 0.25 114 63.54 1.6997e-05 -3.53988 63.540000 Cu 0.308889 0.666936 0.5 139 63.54 3.24922e-05 -3.53986 63.540000 Cu 0.397121 0.686453 0.5 148 63.54 3.60408e-06 -3.53991 63.540000 Cu 0.397121 0.686453 3.98463e-16 149 63.54 3.60408e-06 -3.53991 63.540000 Cu 0.308889 0.666936 4.17421e-16 152 63.54 3.24922e-05 -3.53986 63.540000 Cu 0.514844 0.657135 0.5 108 63.54 1.46784e-05 -3.53989 63.540000 Cu 0.514844 0.657135 3.86952e-16 109 63.54 1.46784e-05 -3.53989 63.540000 Cu 0.500077 0.681558 0.75 111 63.54 3.52312e-06 -3.53991 63.540000 Cu 0.500077 0.681558 0.25 121 63.54 3.52312e-06 -3.53991 63.540000 Cu 0.705934 0.671802 0.75 75 63.54 2.57385e-05 -3.5399 63.540000 Cu 0.705934 0.671802 0.25 79 63.54 2.57385e-05 -3.5399 63.540000 Cu 0.60302 0.676655 0.5 107 63.54 5.60158e-05 -3.53994 63.540000 Cu 0.60302 0.676655 5.70442e-16 120 63.54 5.60158e-05 -3.53994 63.540000 Cu 0.808889 0.666936 0.5 218 63.54 3.24922e-05 -3.53986 63.540000 Cu 0.808889 0.666936 3.75188e-16 219 63.54 3.24922e-05 -3.53986 63.540000 Cu 0.911877 0.662036 0.75 176 63.54 1.6997e-05 -3.53988 63.540000 Cu 0.911877 0.662036 0.25 185 63.54 1.6997e-05 -3.53988 63.540000 Cu 0.897121 0.686453 0.5 217 63.54 3.60408e-06 -3.53991 63.540000 Cu 0.897121 0.686453 2.4832e-16 225 63.54 3.60408e-06 -3.53991 63.540000 Cu 0.0882812 0.701092 0.75 183 63.54 1.13486e-05 -3.53994 63.540000 Cu 0.0882812 0.701092 0.25 193 63.54 1.13486e-05 -3.53994 63.540000 Cu 0.191211 0.696219 0.5 179 63.54 5.3482e-06 -3.53992 63.540000 Cu 0.279434 0.715765 0.5 188 63.54 2.10015e-06 -3.53992 63.540000 Cu 0.279434 0.715765 5.73404e-16 189 63.54 2.10015e-06 -3.53992 63.540000 Cu 0.176488 0.720648 0.75 190 63.54 1.469e-06 -3.53994 63.540000 Cu 0.191211 0.696219 3.41842e-16 192 63.54 5.3482e-06 -3.53992 63.540000 Cu 0.176488 0.720648 0.25 194 63.54 1.469e-06 -3.53994 63.540000 Cu 0.294157 0.691343 0.75 150 63.54 7.76069e-06 -3.5399 63.540000 Cu 0.382389 0.710876 0.75 151 63.54 1.53229e-06 -3.53992 63.540000 Cu 0.294157 0.691343 0.25 154 63.54 7.76069e-06 -3.5399 63.540000 Cu 0.382389 0.710876 0.25 161 63.54 1.53229e-06 -3.53992 63.540000 Cu 0.485339 0.705986 0.5 147 63.54 1.7198e-06 -3.53993 63.540000 Cu 0.485339 0.705986 4.39511e-16 160 63.54 1.7198e-06 -3.53993 63.540000 Cu 0.691211 0.696219 0.5 116 63.54 5.3482e-06 -3.53992 63.540000 Cu 0.691211 0.696219 4.21145e-16 117 63.54 5.3482e-06 -3.53992 63.540000 Cu 0.588281 0.701092 0.75 118 63.54 1.13486e-05 -3.53994 63.540000 Cu 0.676488 0.720648 0.75 119 63.54 1.469e-06 -3.53994 63.540000 Cu 0.588281 0.701092 0.25 122 63.54 1.13486e-05 -3.53994 63.540000 Cu 0.676488 0.720648 0.25 125 63.54 1.469e-06 -3.53994 63.540000 Cu 0.794157 0.691343 0.75 76 63.54 7.76069e-06 -3.5399 63.540000 Cu 0.794157 0.691343 0.25 80 63.54 7.76069e-06 -3.5399 63.540000 Cu 0.779434 0.715765 0.5 115 63.54 2.10015e-06 -3.53992 63.540000 Cu 0.779434 0.715765 3.83736e-16 124 63.54 2.10015e-06 -3.53992 63.540000 Cu 0.985339 0.705986 0.5 221 63.54 1.7198e-06 -3.53993 63.540000 Cu 0.985339 0.705986 6.05565e-16 222 63.54 1.7198e-06 -3.53993 63.540000 Cu 0.882389 0.710876 0.75 223 63.54 1.53229e-06 -3.53992 63.540000 Cu 0.882389 0.710876 0.25 226 63.54 1.53229e-06 -3.53992 63.540000 Cu 0.0735502 0.725529 0.5 220 63.54 2.56341e-06 -3.53994 63.540000 Cu 0.0588205 0.749967 0.75 230 63.54 7.95652e-07 -3.53994 63.540000 Cu 0.0735502 0.725529 3.47766e-16 232 63.54 2.56341e-06 -3.53994 63.540000 Cu 0.0588205 0.749967 0.25 234 63.54 7.95652e-07 -3.53994 63.540000 Cu 0.264708 0.740195 0.75 191 63.54 4.42737e-07 -3.53993 63.540000 Cu 0.264708 0.740195 0.25 201 63.54 4.42737e-07 -3.53993 63.540000 Cu 0.16176 0.745083 0.5 228 63.54 1.14956e-06 -3.53994 63.540000 Cu 0.16176 0.745083 4.88599e-16 229 63.54 1.14956e-06 -3.53994 63.540000 Cu 0.367661 0.735305 0.5 187 63.54 1.93034e-06 -3.53993 63.540000 Cu 0.367661 0.735305 3.57753e-16 200 63.54 1.93034e-06 -3.53993 63.540000 Cu 0.470607 0.73042 0.75 158 63.54 8.50368e-07 -3.53994 63.540000 Cu 0.558821 0.749967 0.75 159 63.54 7.95652e-07 -3.53994 63.540000 Cu 0.470607 0.73042 0.25 162 63.54 8.50368e-07 -3.53994 63.540000 Cu 0.558821 0.749967 0.25 168 63.54 7.95652e-07 -3.53994 63.540000 Cu 0.455877 0.754857 0.5 196 63.54 1.51788e-06 -3.53994 63.540000 Cu 0.455877 0.754857 4.61939e-16 197 63.54 1.51788e-06 -3.53994 63.540000 Cu 0.66176 0.745083 0.5 155 63.54 1.14956e-06 -3.53994 63.540000 Cu 0.57355 0.725529 0.5 156 63.54 2.56341e-06 -3.53994 63.540000 Cu 0.57355 0.725529 2.35455e-16 157 63.54 2.56341e-06 -3.53994 63.540000 Cu 0.66176 0.745083 5.19153e-16 167 63.54 1.14956e-06 -3.53994 63.540000 Cu 0.764708 0.740195 0.75 123 63.54 4.42737e-07 -3.53993 63.540000 Cu 0.764708 0.740195 0.25 126 63.54 4.42737e-07 -3.53993 63.540000 Cu 0.970607 0.73042 0.75 224 63.54 8.50368e-07 -3.53994 63.540000 Cu 0.970607 0.73042 0.25 233 63.54 8.50368e-07 -3.53994 63.540000 Cu 0.955877 0.754857 0.5 263 63.54 1.51788e-06 -3.53994 63.540000 Cu 0.867661 0.735305 0.5 264 63.54 1.93034e-06 -3.53993 63.540000 Cu 0.867661 0.735305 4.73873e-16 265 63.54 1.93034e-06 -3.53993 63.540000 Cu 0.955877 0.754857 6.42043e-16 272 63.54 1.51788e-06 -3.53994 63.540000 Cu 0.0440903 0.774405 0.5 268 63.54 2.13998e-07 -3.53994 63.540000 Cu 0.0440903 0.774405 4.01848e-16 269 63.54 2.13998e-07 -3.53994 63.540000 Cu 0.24998 0.764627 0.5 227 63.54 3.65476e-07 -3.53993 63.540000 Cu 0.147029 0.76952 0.75 231 63.54 3.0789e-06 -3.53994 63.540000 Cu 0.235249 0.789058 0.75 238 63.54 1.68693e-06 -3.53992 63.540000 Cu 0.24998 0.764627 3.79335e-16 240 63.54 3.65476e-07 -3.53993 63.540000 Cu 0.147029 0.76952 0.25 241 63.54 3.0789e-06 -3.53994 63.540000 Cu 0.235249 0.789058 0.25 242 63.54 1.68693e-06 -3.53992 63.540000 Cu 0.352933 0.759737 0.75 198 63.54 2.89662e-06 -3.53993 63.540000 Cu 0.352933 0.759737 0.25 202 63.54 2.89662e-06 -3.53993 63.540000 Cu 0.338207 0.784167 0.5 236 63.54 8.02126e-06 -3.53992 63.540000 Cu 0.338207 0.784167 4.54153e-16 237 63.54 8.02126e-06 -3.53992 63.540000 Cu 0.54409 0.774405 0.5 195 63.54 2.13998e-07 -3.53994 63.540000 Cu 0.441149 0.779291 0.75 199 63.54 2.32026e-06 -3.53994 63.540000 Cu 0.54409 0.774405 4.41542e-16 208 63.54 2.13998e-07 -3.53994 63.540000 Cu 0.441149 0.779291 0.25 209 63.54 2.32026e-06 -3.53994 63.540000 Cu 0.647029 0.76952 0.75 165 63.54 3.0789e-06 -3.53994 63.540000 Cu 0.647029 0.76952 0.25 169 63.54 3.0789e-06 -3.53994 63.540000 Cu 0.74998 0.764627 0.5 163 63.54 3.65476e-07 -3.53993 63.540000 Cu 0.74998 0.764627 4.10481e-16 164 63.54 3.65476e-07 -3.53993 63.540000 Cu 0.735249 0.789058 0.75 166 63.54 1.68693e-06 -3.53992 63.540000 Cu 0.735249 0.789058 0.25 170 63.54 1.68693e-06 -3.53992 63.540000 Cu 0.852933 0.759737 0.75 266 63.54 2.89662e-06 -3.53993 63.540000 Cu 0.852933 0.759737 0.25 273 63.54 2.89662e-06 -3.53993 63.540000 Cu 0.838207 0.784167 0.5 307 63.54 8.02126e-06 -3.53992 63.540000 Cu 0.838207 0.784167 4.41373e-16 313 63.54 8.02126e-06 -3.53992 63.540000 Cu 0.941149 0.779291 0.75 270 63.54 2.32026e-06 -3.53994 63.540000 Cu 0.941149 0.779291 0.25 274 63.54 2.32026e-06 -3.53994 63.540000 Cu 0.132297 0.793956 0.5 267 63.54 6.93244e-06 -3.53993 63.540000 Cu 0.0293624 0.79884 0.75 271 63.54 1.05394e-06 -3.53993 63.540000 Cu 0.117563 0.818388 0.75 278 63.54 1.71472e-05 -3.53993 63.540000 Cu 0.132297 0.793956 4.4552e-16 280 63.54 6.93244e-06 -3.53993 63.540000 Cu 0.0293624 0.79884 0.25 281 63.54 1.05394e-06 -3.53993 63.540000 Cu 0.117563 0.818388 0.25 282 63.54 1.71472e-05 -3.53993 63.540000 Cu 0.0146311 0.823268 0.5 308 63.54 3.16955e-06 -3.53992 63.540000 Cu 0.0146311 0.823268 2.55937e-16 320 63.54 3.16955e-06 -3.53992 63.540000 Cu 0.220518 0.813485 0.5 276 63.54 5.73261e-06 -3.53991 63.540000 Cu 0.220518 0.813485 3.53437e-16 277 63.54 5.73261e-06 -3.53991 63.540000 Cu 0.426423 0.803723 0.5 235 63.54 6.77242e-06 -3.53993 63.540000 Cu 0.323483 0.808587 0.75 239 63.54 3.24954e-05 -3.5399 63.540000 Cu 0.426423 0.803723 4.07519e-16 248 63.54 6.77242e-06 -3.53993 63.540000 Cu 0.323483 0.808587 0.25 249 63.54 3.24954e-05 -3.5399 63.540000 Cu 0.529362 0.79884 0.75 206 63.54 1.05394e-06 -3.53993 63.540000 Cu 0.529362 0.79884 0.25 210 63.54 1.05394e-06 -3.53993 63.540000 Cu 0.514631 0.823268 0.5 244 63.54 3.16955e-06 -3.53992 63.540000 Cu 0.514631 0.823268 4.18267e-16 245 63.54 3.16955e-06 -3.53992 63.540000 Cu 0.632297 0.793956 0.5 204 63.54 6.93244e-06 -3.53993 63.540000 Cu 0.632297 0.793956 4.56269e-16 205 63.54 6.93244e-06 -3.53993 63.540000 Cu 0.617563 0.818388 0.75 207 63.54 1.71472e-05 -3.53993 63.540000 Cu 0.617563 0.818388 0.25 214 63.54 1.71472e-05 -3.53993 63.540000 Cu 0.720518 0.813485 0.5 203 63.54 5.73261e-06 -3.53991 63.540000 Cu 0.720518 0.813485 3.88391e-16 213 63.54 5.73261e-06 -3.53991 63.540000 Cu 0.823483 0.808587 0.75 311 63.54 3.24954e-05 -3.5399 63.540000 Cu 0.823483 0.808587 0.25 314 63.54 3.24954e-05 -3.5399 63.540000 Cu 0.926423 0.803723 0.5 309 63.54 6.77242e-06 -3.53993 63.540000 Cu 0.926423 0.803723 2.3901e-16 310 63.54 6.77242e-06 -3.53993 63.540000 Cu 0.1028 0.842819 0.5 316 63.54 5.95491e-05 -3.53992 63.540000 Cu 0.1028 0.842819 2.33763e-16 317 63.54 5.95491e-05 -3.53992 63.540000 Cu 0.205768 0.837905 0.75 279 63.54 2.50437e-05 -3.53988 63.540000 Cu 0.205768 0.837905 0.25 289 63.54 2.50437e-05 -3.53988 63.540000 Cu 0.411691 0.828151 0.75 246 63.54 3.53877e-05 -3.53993 63.540000 Cu 0.411691 0.828151 0.25 250 63.54 3.53877e-05 -3.53993 63.540000 Cu 0.30876 0.832992 0.5 275 63.54 0.000146788 -3.53985 63.540000 Cu 0.39693 0.852576 0.5 284 63.54 0.000193705 -3.53992 63.540000 Cu 0.39693 0.852576 4.52799e-16 285 63.54 0.000193705 -3.53992 63.540000 Cu 0.294008 0.857371 0.75 286 63.54 0.000684034 -3.53971 63.540000 Cu 0.30876 0.832992 3.89915e-16 288 63.54 0.000146788 -3.53985 63.540000 Cu 0.294008 0.857371 0.25 290 63.54 0.000684034 -3.53971 63.540000 Cu 0.499881 0.847685 0.75 247 63.54 2.87014e-05 -3.53989 63.540000 Cu 0.499881 0.847685 0.25 257 63.54 2.87014e-05 -3.53989 63.540000 Cu 0.705768 0.837905 0.75 211 63.54 2.50437e-05 -3.53988 63.540000 Cu 0.705768 0.837905 0.25 215 63.54 2.50437e-05 -3.53988 63.540000 Cu 0.6028 0.842819 0.5 243 63.54 5.95491e-05 -3.53992 63.540000 Cu 0.6028 0.842819 5.37688e-16 256 63.54 5.95491e-05 -3.53992 63.540000 Cu 0.794008 0.857371 0.75 212 63.54 0.000684034 -3.53971 63.540000 Cu 0.794008 0.857371 0.25 216 63.54 0.000684034 -3.53971 63.540000 Cu 0.80876 0.832992 0.5 350 63.54 0.000146788 -3.53985 63.540000 Cu 0.80876 0.832992 4.63209e-16 351 63.54 0.000146788 -3.53985 63.540000 Cu 0.999881 0.847685 0.75 318 63.54 2.87014e-05 -3.53989 63.540000 Cu 0.999881 0.847685 0.25 322 63.54 2.87014e-05 -3.53989 63.540000 Cu 0.911691 0.828151 0.75 312 63.54 3.53877e-05 -3.53993 63.540000 Cu 0.911691 0.828151 0.25 321 63.54 3.53877e-05 -3.53993 63.540000 Cu 0.89693 0.852576 0.5 349 63.54 0.000193705 -3.53992 63.540000 Cu 0.89693 0.852576 5.01125e-16 357 63.54 0.000193705 -3.53992 63.540000 Cu 0.0879806 0.867255 0.75 319 63.54 0.000241122 -3.53992 63.540000 Cu 0.0879806 0.867255 0.25 329 63.54 0.000241122 -3.53992 63.540000 Cu 0.0730739 0.891705 0.5 352 63.54 0.000946534 -3.53989 63.540000 Cu 0.0730739 0.891705 5.22707e-16 364 63.54 0.000946534 -3.53989 63.540000 Cu 0.190959 0.862321 0.5 315 63.54 0.000136809 -3.53982 63.540000 Cu 0.27922 0.881702 0.5 324 63.54 0.00332079 -3.53931 63.540000 Cu 0.27922 0.881702 4.26731e-16 325 63.54 0.00332079 -3.53931 63.540000 Cu 0.176062 0.886741 0.75 326 63.54 0.000780196 -3.53968 63.540000 Cu 0.190959 0.862321 3.87883e-16 328 63.54 0.000136809 -3.53982 63.540000 Cu 0.176062 0.886741 0.25 330 63.54 0.000780196 -3.53968 63.540000 Cu 0.382111 0.877009 0.75 287 63.54 0.001151 -3.53991 63.540000 Cu 0.382111 0.877009 0.25 297 63.54 0.001151 -3.53991 63.540000 Cu 0.485087 0.872087 0.5 283 63.54 0.000254252 -3.53982 63.540000 Cu 0.485087 0.872087 4.12512e-16 296 63.54 0.000254252 -3.53982 63.540000 Cu 0.470281 0.89646 0.75 294 63.54 0.0019979 -3.53955 63.540000 Cu 0.470281 0.89646 0.25 298 63.54 0.0019979 -3.53955 63.540000 Cu 0.690959 0.862321 0.5 252 63.54 0.000136809 -3.53982 63.540000 Cu 0.690959 0.862321 4.50937e-16 253 63.54 0.000136809 -3.53982 63.540000 Cu 0.587981 0.867255 0.75 254 63.54 0.000241122 -3.53992 63.540000 Cu 0.676062 0.886741 0.75 255 63.54 0.000780196 -3.53968 63.540000 Cu 0.587981 0.867255 0.25 258 63.54 0.000241122 -3.53992 63.540000 Cu 0.676062 0.886741 0.25 261 63.54 0.000780196 -3.53968 63.540000 Cu 0.573074 0.891705 0.5 292 63.54 0.000946534 -3.53989 63.540000 Cu 0.573074 0.891705 4.99094e-16 293 63.54 0.000946534 -3.53989 63.540000 Cu 0.77922 0.881702 0.5 251 63.54 0.00332079 -3.53931 63.540000 Cu 0.77922 0.881702 9.62303e-17 260 63.54 0.00332079 -3.53931 63.540000 Cu 0.985087 0.872087 0.5 353 63.54 0.000254252 -3.53982 63.540000 Cu 0.985087 0.872087 5.5927e-16 354 63.54 0.000254252 -3.53982 63.540000 Cu 0.882111 0.877009 0.75 355 63.54 0.001151 -3.53991 63.540000 Cu 0.882111 0.877009 0.25 358 63.54 0.001151 -3.53991 63.540000 Cu 0.970281 0.89646 0.75 356 63.54 0.0019979 -3.53955 63.540000 Cu 0.970281 0.89646 0.25 365 63.54 0.0019979 -3.53955 63.540000 Cu 0.0581768 0.916211 0.75 362 63.54 0.00426219 -3.53981 63.540000 Cu 0.0581768 0.916211 0.25 366 63.54 0.00426219 -3.53981 63.540000 Cu 0.264423 0.905951 0.75 327 63.54 0.0162792 -3.53773 63.540000 Cu 0.264423 0.905951 0.25 337 63.54 0.0162792 -3.53773 63.540000 Cu 0.161033 0.911183 0.5 360 63.54 0.0047537 -3.53902 63.540000 Cu 0.161033 0.911183 3.55722e-16 361 63.54 0.0047537 -3.53902 63.540000 Cu 0.249614 0.930011 0.5 359 63.54 0.0875919 -3.53216 63.540000 Cu 0.249614 0.930011 3.15605e-16 372 63.54 0.0875919 -3.53216 63.540000 Cu 0.367196 0.901471 0.5 323 63.54 0.00673111 -3.53961 63.540000 Cu 0.352231 0.926038 0.75 334 63.54 0.0417879 -3.53732 63.540000 Cu 0.367196 0.901471 4.14628e-16 336 63.54 0.00673111 -3.53961 63.540000 Cu 0.352231 0.926038 0.25 338 63.54 0.0417879 -3.53732 63.540000 Cu 0.558177 0.916211 0.75 295 63.54 0.00426219 -3.53981 63.540000 Cu 0.558177 0.916211 0.25 304 63.54 0.00426219 -3.53981 63.540000 Cu 0.455438 0.92075 0.5 332 63.54 0.0139785 -3.53835 63.540000 Cu 0.455438 0.92075 4.43319e-16 333 63.54 0.0139785 -3.53835 63.540000 Cu 0.661033 0.911183 0.5 291 63.54 0.0047537 -3.53902 63.540000 Cu 0.661033 0.911183 6.94178e-16 303 63.54 0.0047537 -3.53902 63.540000 Cu 0.764423 0.905951 0.75 259 63.54 0.0162792 -3.53773 63.540000 Cu 0.764423 0.905951 0.25 262 63.54 0.0162792 -3.53773 63.540000 Cu 0.852231 0.926038 0.75 384 63.54 0.0417879 -3.53732 63.540000 Cu 0.852231 0.926038 0.25 391 63.54 0.0417879 -3.53732 63.540000 Cu 0.749614 0.930011 0.5 299 63.54 0.0875919 -3.53216 63.540000 Cu 0.749614 0.930011 7.10851e-16 300 63.54 0.0875919 -3.53216 63.540000 Cu 0.955438 0.92075 0.5 381 63.54 0.0139785 -3.53835 63.540000 Cu 0.867196 0.901471 0.5 382 63.54 0.00673111 -3.53961 63.540000 Cu 0.867196 0.901471 6.54484e-16 383 63.54 0.00673111 -3.53961 63.540000 Cu 0.955438 0.92075 3.12643e-16 390 63.54 0.0139785 -3.53835 63.540000 Cu 0.130218 0.960333 0.5 385 63.54 0.140339 -3.53168 63.540000 Cu 0.0430649 0.94075 0.5 386 63.54 0.015756 -3.53811 63.540000 Cu 0.0430649 0.94075 2.89283e-16 387 63.54 0.015756 -3.53811 63.540000 Cu 0.130218 0.960333 4.35194e-16 397 63.54 0.140339 -3.53168 63.540000 Cu 0.146133 0.93575 0.75 363 63.54 0.0292921 -3.53773 63.540000 Cu 0.236286 0.95382 0.75 370 63.54 0.392586 -3.51347 63.540000 Cu 0.146133 0.93575 0.25 373 63.54 0.0292921 -3.53773 63.540000 Cu 0.236286 0.95382 0.25 374 63.54 0.392586 -3.51347 63.540000 Cu 0.337258 0.950882 0.5 368 63.54 0.234619 -3.52378 63.540000 Cu 0.337258 0.950882 3.98801e-16 369 63.54 0.234619 -3.52378 63.540000 Cu 0.543065 0.94075 0.5 331 63.54 0.015756 -3.53811 63.540000 Cu 0.440993 0.944898 0.75 335 63.54 0.0876026 -3.53237 63.540000 Cu 0.543065 0.94075 3.37779e-16 344 63.54 0.015756 -3.53811 63.540000 Cu 0.440993 0.944898 0.25 345 63.54 0.0876026 -3.53237 63.540000 Cu 0.646133 0.93575 0.75 301 63.54 0.0292921 -3.53773 63.540000 Cu 0.646133 0.93575 0.25 305 63.54 0.0292921 -3.53773 63.540000 Cu 0.630218 0.960333 0.5 340 63.54 0.140339 -3.53168 63.540000 Cu 0.630218 0.960333 1 341 63.54 0.140339 -3.53168 63.540000 Cu 0.736286 0.95382 0.75 302 63.54 0.392586 -3.51347 63.540000 Cu 0.736286 0.95382 0.25 306 63.54 0.392586 -3.51347 63.540000 Cu 0.837258 0.950882 0.5 401 63.54 0.234619 -3.52378 63.540000 Cu 0.837258 0.950882 3.04772e-16 407 63.54 0.234619 -3.52378 63.540000 Cu 0.940993 0.944898 0.75 388 63.54 0.0876026 -3.53237 63.540000 Cu 0.940993 0.944898 0.25 392 63.54 0.0876026 -3.53237 63.540000 Cu 0.0279979 0.965618 0.75 389 63.54 0.117199 -3.5339 63.540000 Cu 0.118711 0.98516 0.75 396 63.54 4.68107 -3.36179 63.540000 Cu 0.0279979 0.965618 0.25 398 63.54 0.117199 -3.5339 63.540000 Cu 0.118711 0.98516 0.25 399 63.54 4.68107 -3.36179 63.540000 Cu 0.0177749 0.990267 0.5 402 63.54 0.831753 -3.46247 63.540000 Cu 0.0177749 0.990267 2.77096e-16 409 63.54 0.831753 -3.46247 63.540000 Cu 0.222544 0.976906 0.5 394 63.54 7.09075 -3.38628 63.540000 Cu 0.222544 0.976906 7.76952e-17 395 63.54 7.09075 -3.38628 63.540000 Cu 0.426297 0.968699 0.5 367 63.54 0.449172 -3.50709 63.540000 Cu 0.321444 0.976136 0.75 371 63.54 4.53744 -3.44998 63.540000 Cu 0.415264 0.991774 0.75 377 63.54 4.63657 -3.45862 63.540000 Cu 0.426297 0.968699 2.39941e-16 378 63.54 0.449172 -3.50709 63.540000 Cu 0.321444 0.976136 0.25 379 63.54 4.53744 -3.44998 63.540000 Cu 0.415264 0.991774 0.25 380 63.54 4.63657 -3.45862 63.540000 Cu 0.527998 0.965618 0.75 342 63.54 0.117199 -3.5339 63.540000 Cu 0.527998 0.965618 0.25 346 63.54 0.117199 -3.5339 63.540000 Cu 0.517775 0.990267 0.5 375 63.54 0.831753 -3.46247 63.540000 Cu 0.517775 0.990267 2.26484e-16 376 63.54 0.831753 -3.46247 63.540000 Cu 0.618711 0.98516 0.75 343 63.54 4.68107 -3.36179 63.540000 Cu 0.618711 0.98516 0.25 348 63.54 4.68107 -3.36179 63.540000 Cu 0.722544 0.976906 0.5 339 63.54 7.09075 -3.38628 63.540000 Cu 0.722544 0.976906 6.64387e-17 347 63.54 7.09075 -3.38628 63.540000 Cu 0.821444 0.976136 0.75 405 63.54 4.53744 -3.44998 63.540000 Cu 0.821444 0.976136 0.25 408 63.54 4.53744 -3.44998 63.540000 Cu 0.926297 0.968699 0.5 403 63.54 0.449172 -3.50709 63.540000 Cu 0.926297 0.968699 2.62792e-16 404 63.54 0.449172 -3.50709 63.540000 Cu 0.915264 0.991774 0.75 406 63.54 4.63657 -3.45862 63.540000 Cu 0.915264 0.991774 0.25 410 63.54 4.63657 -3.45862