Number of particles = 972 A = 1 Angstrom (basic length-scale) H0(1,1) = 28.2585 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 113.1 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61519 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 0.0416308 0.0030597 0.5 549 63.546 0.0889592 -3.5367 63.546000 Cu 0.0372177 0.0257817 0.5 577 63.546 0.0157096 -3.53643 63.546000 Cu 0.0856673 0.014496 5.30227e-17 579 63.546 0.0459917 -3.53519 63.546000 Cu 0.176894 0.014682 1.13963e-17 580 63.546 0.526491 -3.49268 63.546000 Cu 0.133769 0.00306212 0.5 581 63.546 0.181975 -3.52592 63.546000 Cu 0.128132 0.0261723 0.5 582 63.546 0.120113 -3.52689 63.546000 Cu 0.22857 0.00306744 0.5 583 63.546 4.87992 -3.40008 63.546000 Cu 0.262478 0.0191759 1.33636e-16 621 63.546 5.72263 -3.35781 63.546000 Cu 0.313021 0.0132755 0.5 623 63.546 7.20155 -3.39841 63.546000 Cu 0.360628 0.00303403 2.04173e-16 491 63.546 3.53811 -3.44676 63.546000 Cu 0.404075 0.0141888 0.5 493 63.546 0.0715634 -3.53264 63.546000 Cu 0.355352 0.0247067 1.24999e-16 622 63.546 0.325126 -3.51244 63.546000 Cu 0.449931 0.00305271 1.00767e-17 492 63.546 0.0480513 -3.53739 63.546000 Cu 0.446368 0.0254697 1 497 63.546 0.0245661 -3.53524 63.546000 Cu 0.537218 0.0257817 1.19961e-19 498 63.546 0.0157096 -3.53643 63.546000 Cu 0.494583 0.0143312 0.5 499 63.546 0.0437595 -3.53787 63.546000 Cu 0.541631 0.0030597 4.46254e-17 501 63.546 0.0889592 -3.5367 63.546000 Cu 0.633769 0.00306212 4.79843e-18 502 63.546 0.181975 -3.52592 63.546000 Cu 0.585667 0.014496 0.5 503 63.546 0.0459917 -3.53519 63.546000 Cu 0.628132 0.0261723 9.189e-17 515 63.546 0.120113 -3.52689 63.546000 Cu 0.676894 0.014682 0.5 517 63.546 0.526491 -3.49268 63.546000 Cu 0.72857 0.00306744 1.65546e-17 519 63.546 4.87992 -3.40008 63.546000 Cu 0.762478 0.0191759 0.5 521 63.546 5.72263 -3.35781 63.546000 Cu 0.813021 0.0132755 9.47691e-17 520 63.546 7.20155 -3.39841 63.546000 Cu 0.860628 0.00303403 0.5 522 63.546 3.53811 -3.44676 63.546000 Cu 0.855352 0.0247067 0.5 543 63.546 0.325126 -3.51244 63.546000 Cu 0.904075 0.0141888 2.64874e-16 545 63.546 0.0715634 -3.53264 63.546000 Cu 0.994583 0.0143312 2.79989e-16 546 63.546 0.0437595 -3.53787 63.546000 Cu 0.949931 0.00305271 0.5 547 63.546 0.0480513 -3.53739 63.546000 Cu 0.946368 0.0254697 0.5 548 63.546 0.0245661 -3.53524 63.546000 Cu 0.0785424 0.037425 1 576 63.546 0.0236472 -3.53335 63.546000 Cu 0.0292114 0.0485122 0.5 578 63.546 0.00561367 -3.53639 63.546000 Cu 0.119065 0.0495866 0.5 615 63.546 0.0269319 -3.53312 63.546000 Cu 0.167498 0.0388905 3.55084e-17 617 63.546 0.0627567 -3.52163 63.546000 Cu 0.216137 0.0286766 0.5 619 63.546 0.247687 -3.49404 63.546000 Cu 0.208126 0.0519099 0.5 620 63.546 0.0469189 -3.53199 63.546000 Cu 0.255967 0.042058 1.67105e-16 618 63.546 0.157978 -3.51795 63.546000 Cu 0.305223 0.0343357 0.5 624 63.546 0.527609 -3.48836 63.546000 Cu 0.347025 0.0464327 1.08445e-16 665 63.546 0.129159 -3.52791 63.546000 Cu 0.438406 0.0477712 8.98507e-17 494 63.546 0.00818779 -3.53573 63.546000 Cu 0.397131 0.0362426 0.5 495 63.546 0.0328405 -3.53244 63.546000 Cu 0.488014 0.0369003 0.5 500 63.546 0.00580497 -3.53603 63.546000 Cu 0.529211 0.0485122 1.07365e-16 511 63.546 0.00561367 -3.53639 63.546000 Cu 0.619065 0.0495866 9.99274e-17 512 63.546 0.0269319 -3.53312 63.546000 Cu 0.578542 0.037425 0.5 513 63.546 0.0236472 -3.53335 63.546000 Cu 0.667498 0.0388905 0.5 518 63.546 0.0627567 -3.52163 63.546000 Cu 0.716137 0.0286766 1 516 63.546 0.247687 -3.49404 63.546000 Cu 0.708126 0.0519099 6.16599e-17 537 63.546 0.0469189 -3.53199 63.546000 Cu 0.755967 0.042058 0.5 539 63.546 0.157978 -3.51795 63.546000 Cu 0.805223 0.0343357 0 541 63.546 0.527609 -3.48836 63.546000 Cu 0.847025 0.0464327 0.5 544 63.546 0.129159 -3.52791 63.546000 Cu 0.897131 0.0362426 1.79461e-16 542 63.546 0.0328405 -3.53244 63.546000 Cu 0.938406 0.0477712 0.5 573 63.546 0.00818779 -3.53573 63.546000 Cu 0.988014 0.0369003 1.28838e-16 575 63.546 0.00580497 -3.53603 63.546000 Cu 0.0207354 0.0712136 0.5 611 63.546 0.0026874 -3.53812 63.546000 Cu 0.0699982 0.0604058 1 613 63.546 0.00926835 -3.53659 63.546000 Cu 0.110741 0.0726029 0.5 616 63.546 0.0142927 -3.53726 63.546000 Cu 0.159509 0.0620889 1 614 63.546 0.0262601 -3.53497 63.546000 Cu 0.200125 0.0749244 0.5 659 63.546 0.0138331 -3.53641 63.546000 Cu 0.248584 0.0650153 2.41721e-16 661 63.546 0.0295719 -3.53218 63.546000 Cu 0.297474 0.0560517 0.5 663 63.546 0.1299 -3.52344 63.546000 Cu 0.28981 0.0781876 0.5 664 63.546 0.0291257 -3.53534 63.546000 Cu 0.339058 0.0684229 1.58348e-16 662 63.546 0.0459188 -3.53534 63.546000 Cu 0.388713 0.0583029 0.5 496 63.546 0.0218389 -3.5359 63.546000 Cu 0.380599 0.0804923 0.5 505 63.546 0.0126986 -3.53813 63.546000 Cu 0.430102 0.0700769 1.80901e-16 507 63.546 0.00543275 -3.53797 63.546000 Cu 0.520735 0.0712136 2.32364e-16 508 63.546 0.0026874 -3.53812 63.546000 Cu 0.479698 0.0594088 0.5 509 63.546 0.002692 -3.53742 63.546000 Cu 0.569998 0.0604058 0.5 514 63.546 0.00926835 -3.53659 63.546000 Cu 0.610741 0.0726029 1 533 63.546 0.0142927 -3.53726 63.546000 Cu 0.659509 0.0620889 0.5 535 63.546 0.0262601 -3.53497 63.546000 Cu 0.700125 0.0749244 1 534 63.546 0.0138331 -3.53641 63.546000 Cu 0.748584 0.0650153 0.5 540 63.546 0.0295719 -3.53218 63.546000 Cu 0.78981 0.0781876 1 567 63.546 0.0291257 -3.53534 63.546000 Cu 0.797474 0.0560517 1 538 63.546 0.1299 -3.52344 63.546000 Cu 0.880599 0.0804923 1 568 63.546 0.0126986 -3.53813 63.546000 Cu 0.839058 0.0684229 0.5 569 63.546 0.0459188 -3.53534 63.546000 Cu 0.888713 0.0583029 1 571 63.546 0.0218389 -3.5359 63.546000 Cu 0.979698 0.0594088 1 572 63.546 0.002692 -3.53742 63.546000 Cu 0.930102 0.0700769 0.5 574 63.546 0.00543275 -3.53797 63.546000 Cu 0.0616508 0.0832346 2.39922e-19 610 63.546 0.0053968 -3.53838 63.546000 Cu 0.0533379 0.105987 1 653 63.546 0.00262476 -3.53917 63.546000 Cu 0.102456 0.0954841 0.5 655 63.546 0.00655411 -3.53865 63.546000 Cu 0.0124094 0.0938761 0.5 612 63.546 0.00138747 -3.53909 63.546000 Cu 0.151358 0.0850856 1 657 63.546 0.0105889 -3.53765 63.546000 Cu 0.192137 0.0977264 0.5 660 63.546 0.0049822 -3.53858 63.546000 Cu 0.1432 0.107907 1.90618e-16 654 63.546 0.00475641 -3.539 63.546000 Cu 0.2409 0.0877285 5.05035e-17 658 63.546 0.00685373 -3.53751 63.546000 Cu 0.282005 0.100522 0.5 703 63.546 0.00789967 -3.53852 63.546000 Cu 0.331195 0.09061 5.97405e-17 705 63.546 0.0167925 -3.53821 63.546000 Cu 0.421931 0.0924546 1.93257e-16 504 63.546 0.0034421 -3.53912 63.546000 Cu 0.372539 0.102793 0.5 506 63.546 0.00634361 -3.53921 63.546000 Cu 0.471352 0.0819178 0.5 510 63.546 0.0014569 -3.53881 63.546000 Cu 0.463091 0.104443 0.5 527 63.546 0.000809884 -3.53943 63.546000 Cu 0.512409 0.0938761 8.60119e-17 529 63.546 0.00138747 -3.53909 63.546000 Cu 0.553338 0.105987 0.5 532 63.546 0.00262476 -3.53917 63.546000 Cu 0.561651 0.0832346 0.5 531 63.546 0.0053968 -3.53838 63.546000 Cu 0.602456 0.0954841 1 530 63.546 0.00655411 -3.53865 63.546000 Cu 0.651358 0.0850856 0.5 536 63.546 0.0105889 -3.53765 63.546000 Cu 0.6432 0.107907 0.5 561 63.546 0.00475641 -3.539 63.546000 Cu 0.692137 0.0977264 1 563 63.546 0.0049822 -3.53858 63.546000 Cu 0.7409 0.0877285 0.5 565 63.546 0.00685373 -3.53751 63.546000 Cu 0.782005 0.100522 1 564 63.546 0.00789967 -3.53852 63.546000 Cu 0.831195 0.09061 0.5 570 63.546 0.0167925 -3.53821 63.546000 Cu 0.872539 0.102793 2.42201e-16 605 63.546 0.00634361 -3.53921 63.546000 Cu 0.963091 0.104443 0 606 63.546 0.000809884 -3.53943 63.546000 Cu 0.921931 0.0924546 0.5 607 63.546 0.0034421 -3.53912 63.546000 Cu 0.971352 0.0819178 1 609 63.546 0.0014569 -3.53881 63.546000 Cu 0.0449629 0.128676 7.17366e-17 650 63.546 0.00126636 -3.53954 63.546000 Cu 0.0941653 0.118251 0.5 656 63.546 0.00313027 -3.53931 63.546000 Cu 0.00409299 0.116499 0.5 651 63.546 0.000774759 -3.53951 63.546000 Cu 0.134934 0.130636 3.69479e-17 697 63.546 0.00235046 -3.53951 63.546000 Cu 0.183997 0.120436 0.5 699 63.546 0.00193017 -3.53938 63.546000 Cu 0.224855 0.132963 9.09303e-17 698 63.546 0.000619614 -3.53969 63.546000 Cu 0.232992 0.110362 1.27398e-16 701 63.546 0.00184772 -3.53911 63.546000 Cu 0.323202 0.112935 1 702 63.546 0.00638766 -3.53939 63.546000 Cu 0.273985 0.122956 0.5 704 63.546 0.00231023 -3.53954 63.546000 Cu 0.364345 0.12518 0.5 524 63.546 0.00303085 -3.53971 63.546000 Cu 0.413712 0.114881 5.29627e-16 525 63.546 0.0019509 -3.5396 63.546000 Cu 0.454747 0.126973 0.5 528 63.546 0.00047948 -3.53968 63.546000 Cu 0.504093 0.116499 5.77012e-17 526 63.546 0.000774759 -3.53951 63.546000 Cu 0.544963 0.128676 0.5 557 63.546 0.00126636 -3.53954 63.546000 Cu 0.594165 0.118251 2.39922e-19 559 63.546 0.00313027 -3.53931 63.546000 Cu 0.634934 0.130636 0.5 562 63.546 0.00235046 -3.53951 63.546000 Cu 0.683997 0.120436 1.47552e-17 560 63.546 0.00193017 -3.53938 63.546000 Cu 0.732992 0.110362 0.5 566 63.546 0.00184772 -3.53911 63.546000 Cu 0.724855 0.132963 0.5 599 63.546 0.000619614 -3.53969 63.546000 Cu 0.773985 0.122956 1.19961e-19 601 63.546 0.00231023 -3.53954 63.546000 Cu 0.864345 0.12518 2.82148e-16 602 63.546 0.00303085 -3.53971 63.546000 Cu 0.823202 0.112935 0.5 603 63.546 0.00638766 -3.53939 63.546000 Cu 0.913712 0.114881 0.5 608 63.546 0.0019509 -3.5396 63.546000 Cu 0.954747 0.126973 0 649 63.546 0.00047948 -3.53968 63.546000 Cu 0.0363796 0.151326 5.85409e-17 693 63.546 0.000569543 -3.53969 63.546000 Cu 0.0857104 0.140956 0.5 695 63.546 0.00136016 -3.53959 63.546000 Cu 0.126404 0.153311 1 694 63.546 0.00101927 -3.53975 63.546000 Cu 0.175667 0.143091 0.5 700 63.546 0.000909856 -3.53975 63.546000 Cu 0.216389 0.155539 1 741 63.546 0.000250116 -3.53991 63.546000 Cu 0.306539 0.157819 1 742 63.546 0.000944476 -3.53996 63.546000 Cu 0.265706 0.145448 0.5 743 63.546 0.000790643 -3.5399 63.546000 Cu 0.315014 0.135355 1.19961e-19 745 63.546 0.00265991 -3.53982 63.546000 Cu 0.405362 0.137352 1 523 63.546 0.0010944 -3.53981 63.546000 Cu 0.396773 0.159859 4.61849e-17 551 63.546 0.000629908 -3.53989 63.546000 Cu 0.35594 0.147635 0.5 746 63.546 0.00154486 -3.5399 63.546000 Cu 0.446212 0.149521 0.5 553 63.546 0.000257179 -3.53977 63.546000 Cu 0.486995 0.161708 1.87019e-16 552 63.546 0.000123405 -3.53975 63.546000 Cu 0.495641 0.139108 2.25766e-16 555 63.546 0.00041777 -3.53966 63.546000 Cu 0.53638 0.151326 0.5 558 63.546 0.000569543 -3.53969 63.546000 Cu 0.58571 0.140956 1.19961e-19 556 63.546 0.00136016 -3.53959 63.546000 Cu 0.626404 0.153311 0.5 595 63.546 0.00101927 -3.53975 63.546000 Cu 0.675667 0.143091 1 597 63.546 0.000909856 -3.53975 63.546000 Cu 0.765706 0.145448 1 598 63.546 0.000790643 -3.5399 63.546000 Cu 0.716389 0.155539 0.5 600 63.546 0.000250116 -3.53991 63.546000 Cu 0.815014 0.135355 0.5 604 63.546 0.00265991 -3.53982 63.546000 Cu 0.806539 0.157819 0.5 643 63.546 0.000944476 -3.53996 63.546000 Cu 0.85594 0.147635 1.17562e-17 645 63.546 0.00154486 -3.5399 63.546000 Cu 0.905362 0.137352 0.5 647 63.546 0.0010944 -3.53981 63.546000 Cu 0.896773 0.159859 0.5 648 63.546 0.000629908 -3.53989 63.546000 Cu 0.946212 0.149521 1.17922e-16 646 63.546 0.000257179 -3.53977 63.546000 Cu 0.995641 0.139108 0.5 652 63.546 0.00041777 -3.53966 63.546000 Cu 0.986995 0.161708 0.5 691 63.546 0.000123405 -3.53975 63.546000 Cu 0.0277524 0.173942 1 690 63.546 0.000266127 -3.5398 63.546000 Cu 0.0770903 0.163611 0.5 696 63.546 0.000584338 -3.53977 63.546000 Cu 0.0685288 0.186224 0.5 735 63.546 0.000386684 -3.53986 63.546000 Cu 0.117827 0.175933 9.63286e-17 737 63.546 0.000590793 -3.53987 63.546000 Cu 0.207889 0.178106 2.54317e-16 738 63.546 6.54794e-05 -3.53996 63.546000 Cu 0.16711 0.165709 0.5 739 63.546 0.000376336 -3.53989 63.546000 Cu 0.158601 0.188295 0.5 740 63.546 0.000328019 -3.53993 63.546000 Cu 0.257167 0.167953 0.5 744 63.546 0.000198882 -3.53998 63.546000 Cu 0.298021 0.180319 7.52155e-17 785 63.546 0.000351221 -3.54 63.546000 Cu 0.347362 0.170121 0.5 786 63.546 0.000802844 -3.53997 63.546000 Cu 0.388242 0.18239 1 550 63.546 0.000479649 -3.53996 63.546000 Cu 0.437592 0.172067 0.5 554 63.546 0.000149507 -3.53986 63.546000 Cu 0.478411 0.1843 1 589 63.546 6.29905e-05 -3.53985 63.546000 Cu 0.527752 0.173942 0.5 591 63.546 0.000266127 -3.5398 63.546000 Cu 0.568529 0.186224 1.11324e-16 590 63.546 0.000386684 -3.53986 63.546000 Cu 0.57709 0.163611 1.19961e-19 593 63.546 0.000584338 -3.53977 63.546000 Cu 0.617827 0.175933 0.5 596 63.546 0.000590793 -3.53987 63.546000 Cu 0.658601 0.188295 1.49951e-17 637 63.546 0.000328019 -3.53993 63.546000 Cu 0.66711 0.165709 7.28162e-17 594 63.546 0.000376336 -3.53989 63.546000 Cu 0.707889 0.178106 0.5 639 63.546 6.54794e-05 -3.53996 63.546000 Cu 0.757167 0.167953 1.46352e-17 641 63.546 0.000198882 -3.53998 63.546000 Cu 0.847362 0.170121 1 642 63.546 0.000802844 -3.53997 63.546000 Cu 0.798021 0.180319 0.5 644 63.546 0.000351221 -3.54 63.546000 Cu 0.888242 0.18239 0.5 687 63.546 0.000479649 -3.53996 63.546000 Cu 0.937592 0.172067 1 689 63.546 0.000149507 -3.53986 63.546000 Cu 0.978411 0.1843 0.5 692 63.546 6.29905e-05 -3.53985 63.546000 Cu 0.0192601 0.196553 1 733 63.546 0.000161435 -3.53987 63.546000 Cu 0.109353 0.198544 1.37115e-16 734 63.546 0.000381373 -3.53991 63.546000 Cu 0.0601608 0.208844 0.5 736 63.546 0.000156462 -3.5399 63.546000 Cu 0.150242 0.210889 0.5 779 63.546 0.000203962 -3.53995 63.546000 Cu 0.199435 0.200675 2.39922e-19 781 63.546 0.000121545 -3.53997 63.546000 Cu 0.289603 0.202848 7.18566e-17 782 63.546 0.000170814 -3.53999 63.546000 Cu 0.248701 0.19049 0.5 783 63.546 8.46771e-05 -3.53999 63.546000 Cu 0.240362 0.21303 0.5 784 63.546 5.44937e-05 -3.53998 63.546000 Cu 0.33057 0.21517 0.5 826 63.546 0.000159201 -3.54 63.546000 Cu 0.338899 0.192642 0.5 787 63.546 0.000404622 -3.54 63.546000 Cu 0.379844 0.204934 3.39129e-16 585 63.546 0.000288785 -3.53999 63.546000 Cu 0.42912 0.194642 0.5 587 63.546 0.000185762 -3.53993 63.546000 Cu 0.470041 0.206897 5.59018e-17 586 63.546 3.79707e-05 -3.53991 63.546000 Cu 0.51926 0.196553 0.5 592 63.546 0.000161435 -3.53987 63.546000 Cu 0.560161 0.208844 1.2356e-17 633 63.546 0.000156462 -3.5399 63.546000 Cu 0.650242 0.210889 1.26919e-16 634 63.546 0.000203962 -3.53995 63.546000 Cu 0.609353 0.198544 0.5 635 63.546 0.000381373 -3.53991 63.546000 Cu 0.748701 0.19049 9.16501e-17 638 63.546 8.46771e-05 -3.53999 63.546000 Cu 0.699435 0.200675 0.5 640 63.546 0.000121545 -3.53997 63.546000 Cu 0.740362 0.21303 1 681 63.546 5.44937e-05 -3.53998 63.546000 Cu 0.789603 0.202848 0.5 683 63.546 0.000170814 -3.53999 63.546000 Cu 0.83057 0.21517 1 682 63.546 0.000159201 -3.54 63.546000 Cu 0.838899 0.192642 1 685 63.546 0.000404622 -3.54 63.546000 Cu 0.879844 0.204934 0.5 688 63.546 0.000288785 -3.53999 63.546000 Cu 0.92912 0.194642 1 686 63.546 0.000185762 -3.53993 63.546000 Cu 0.970041 0.206897 0.5 731 63.546 3.79707e-05 -3.53991 63.546000 Cu 0.0518747 0.231439 0.5 775 63.546 9.76939e-05 -3.53994 63.546000 Cu 0.101079 0.221151 2.03933e-17 777 63.546 0.000170808 -3.53995 63.546000 Cu 0.0109434 0.219163 1.49471e-16 730 63.546 3.53579e-05 -3.53991 63.546000 Cu 0.00264276 0.241749 7.17366e-17 773 63.546 6.12733e-05 -3.53994 63.546000 Cu 0.191188 0.223242 1 778 63.546 2.7657e-05 -3.53998 63.546000 Cu 0.142016 0.233466 0.5 780 63.546 0.00018263 -3.53997 63.546000 Cu 0.232129 0.235589 0.5 823 63.546 1.71731e-05 -3.53998 63.546000 Cu 0.281322 0.225375 1.17562e-17 825 63.546 4.14068e-05 -3.54 63.546000 Cu 0.322264 0.237717 0.5 827 63.546 0.000110486 -3.54 63.546000 Cu 0.371502 0.227479 0 584 63.546 0.000160591 -3.53999 63.546000 Cu 0.420778 0.217212 0.5 588 63.546 0.000168353 -3.53996 63.546000 Cu 0.412436 0.239786 0.5 627 63.546 0.000260194 -3.53997 63.546000 Cu 0.461681 0.229489 1.10724e-16 629 63.546 9.56982e-05 -3.53993 63.546000 Cu 0.551875 0.231439 1.41554e-16 630 63.546 9.76939e-05 -3.53994 63.546000 Cu 0.510943 0.219163 0.5 631 63.546 3.53579e-05 -3.53991 63.546000 Cu 0.502643 0.241749 0.5 632 63.546 6.12733e-05 -3.53994 63.546000 Cu 0.601079 0.221151 0.5 636 63.546 0.000170808 -3.53995 63.546000 Cu 0.642016 0.233466 1 677 63.546 0.00018263 -3.53997 63.546000 Cu 0.732129 0.235589 1 678 63.546 1.71731e-05 -3.53998 63.546000 Cu 0.691188 0.223242 0.5 679 63.546 2.7657e-05 -3.53998 63.546000 Cu 0.781322 0.225375 0.5 684 63.546 4.14068e-05 -3.54 63.546000 Cu 0.822264 0.237717 1 725 63.546 0.000110486 -3.54 63.546000 Cu 0.871502 0.227479 0.5 727 63.546 0.000160591 -3.53999 63.546000 Cu 0.912436 0.239786 4.09067e-17 726 63.546 0.000260194 -3.53997 63.546000 Cu 0.920778 0.217212 1.19961e-19 729 63.546 0.000168353 -3.53996 63.546000 Cu 0.961681 0.229489 0.5 732 63.546 9.56982e-05 -3.53993 63.546000 Cu 0.0928136 0.243732 1 774 63.546 0.000187341 -3.53996 63.546000 Cu 0.043645 0.254027 0.5 776 63.546 0.000118831 -3.53996 63.546000 Cu 0.0847133 0.266322 1.20321e-16 817 63.546 9.50609e-05 -3.53997 63.546000 Cu 0.174877 0.268377 1 818 63.546 0.000114257 -3.53998 63.546000 Cu 0.133824 0.256046 0.5 819 63.546 0.000192603 -3.53997 63.546000 Cu 0.182969 0.24581 3.55084e-17 821 63.546 6.20841e-05 -3.53998 63.546000 Cu 0.223999 0.258158 0.5 824 63.546 3.16318e-05 -3.53998 63.546000 Cu 0.273107 0.24794 0 822 63.546 5.0208e-05 -3.53998 63.546000 Cu 0.314171 0.260283 0.5 867 63.546 4.15502e-05 -3.53996 63.546000 Cu 0.363272 0.250054 1.2272e-16 625 63.546 0.000219562 -3.53997 63.546000 Cu 0.404357 0.262365 0.5 628 63.546 0.000171379 -3.53997 63.546000 Cu 0.453469 0.252073 0 626 63.546 0.000122319 -3.53997 63.546000 Cu 0.494543 0.264342 0.5 671 63.546 7.79214e-06 -3.53996 63.546000 Cu 0.543645 0.254027 1 673 63.546 0.000118831 -3.53996 63.546000 Cu 0.633824 0.256046 7.28162e-17 674 63.546 0.000192603 -3.53997 63.546000 Cu 0.592814 0.243732 0.5 675 63.546 0.000187341 -3.53996 63.546000 Cu 0.584713 0.266322 0.5 676 63.546 9.50609e-05 -3.53997 63.546000 Cu 0.682969 0.24581 0.5 680 63.546 6.20841e-05 -3.53998 63.546000 Cu 0.674877 0.268377 0.5 719 63.546 0.000114257 -3.53998 63.546000 Cu 0.723999 0.258158 0 721 63.546 3.16318e-05 -3.53998 63.546000 Cu 0.773107 0.24794 0.5 723 63.546 5.0208e-05 -3.53998 63.546000 Cu 0.814171 0.260283 1 722 63.546 4.15502e-05 -3.53996 63.546000 Cu 0.863272 0.250054 0.5 728 63.546 0.000219562 -3.53997 63.546000 Cu 0.904357 0.262365 0 769 63.546 0.000171379 -3.53997 63.546000 Cu 0.994543 0.264342 2.60675e-16 770 63.546 7.79214e-06 -3.53996 63.546000 Cu 0.953469 0.252073 0.5 771 63.546 0.000122319 -3.53997 63.546000 Cu 0.0767392 0.2889 1 814 63.546 0.000109619 -3.53999 63.546000 Cu 0.0356228 0.276614 0.5 815 63.546 8.32709e-05 -3.53997 63.546000 Cu 0.12581 0.27862 0.5 820 63.546 0.000148446 -3.53999 63.546000 Cu 0.166973 0.290931 1 861 63.546 0.00015164 -3.53998 63.546000 Cu 0.216017 0.280707 0.5 863 63.546 0.000102145 -3.53997 63.546000 Cu 0.257201 0.293062 1 862 63.546 4.3362e-05 -3.53991 63.546000 Cu 0.265074 0.270495 1.31117e-16 865 63.546 5.0755e-05 -3.53996 63.546000 Cu 0.306179 0.282859 0.5 868 63.546 0.000119158 -3.53992 63.546000 Cu 0.347363 0.295219 4.01629e-16 907 63.546 0.00021732 -3.53992 63.546000 Cu 0.437512 0.297259 1 666 63.546 0.000145688 -3.53994 63.546000 Cu 0.396342 0.284957 0.5 667 63.546 0.000275413 -3.53994 63.546000 Cu 0.355228 0.272629 6.29794e-17 866 63.546 0.000216447 -3.53995 63.546000 Cu 0.445429 0.27466 3.63481e-17 669 63.546 0.000113733 -3.53996 63.546000 Cu 0.535623 0.276614 1 670 63.546 8.32709e-05 -3.53997 63.546000 Cu 0.486535 0.286938 0.5 672 63.546 4.4656e-05 -3.53995 63.546000 Cu 0.576739 0.2889 0.5 715 63.546 0.000109619 -3.53999 63.546000 Cu 0.62581 0.27862 1 717 63.546 0.000148446 -3.53999 63.546000 Cu 0.666973 0.290931 0.5 720 63.546 0.00015164 -3.53998 63.546000 Cu 0.716017 0.280707 1 718 63.546 0.000102145 -3.53997 63.546000 Cu 0.765074 0.270495 0.5 724 63.546 5.0755e-05 -3.53996 63.546000 Cu 0.757201 0.293062 0.5 763 63.546 4.3362e-05 -3.53991 63.546000 Cu 0.806179 0.282859 1.10124e-16 765 63.546 0.000119158 -3.53992 63.546000 Cu 0.855228 0.272629 0.5 767 63.546 0.000216447 -3.53995 63.546000 Cu 0.847363 0.295219 0.5 768 63.546 0.00021732 -3.53992 63.546000 Cu 0.896342 0.284957 3.60602e-16 766 63.546 0.000275413 -3.53994 63.546000 Cu 0.945429 0.27466 0.5 772 63.546 0.000113733 -3.53996 63.546000 Cu 0.937512 0.297259 0.5 811 63.546 0.000145688 -3.53994 63.546000 Cu 0.986535 0.286938 1 813 63.546 4.4656e-05 -3.53995 63.546000 Cu 0.0277266 0.299201 0.5 816 63.546 6.77952e-05 -3.53996 63.546000 Cu 0.0197419 0.321801 0.5 855 63.546 8.05178e-05 -3.53994 63.546000 Cu 0.0688809 0.311467 2.20848e-16 857 63.546 0.000152052 -3.53999 63.546000 Cu 0.110024 0.323721 0.5 860 63.546 0.000384731 -3.53999 63.546000 Cu 0.117941 0.301174 0.5 859 63.546 0.000245305 -3.54 63.546000 Cu 0.159125 0.31347 2.4496e-16 858 63.546 0.00033933 -3.53999 63.546000 Cu 0.208196 0.303259 0.5 864 63.546 0.000196228 -3.53994 63.546000 Cu 0.249379 0.315622 1 903 63.546 8.6256e-05 -3.5399 63.546000 Cu 0.298416 0.305448 0.5 905 63.546 0.000227768 -3.53989 63.546000 Cu 0.339516 0.317814 8.46924e-17 904 63.546 0.000278733 -3.53989 63.546000 Cu 0.388508 0.307562 0.5 668 63.546 0.000335145 -3.53992 63.546000 Cu 0.429595 0.319873 1.06045e-16 709 63.546 0.000275331 -3.53988 63.546000 Cu 0.519742 0.321801 4.72646e-17 710 63.546 8.05178e-05 -3.53994 63.546000 Cu 0.478658 0.309541 0.5 711 63.546 7.8453e-05 -3.53991 63.546000 Cu 0.527727 0.299201 1 713 63.546 6.77952e-05 -3.53996 63.546000 Cu 0.568881 0.311467 0.5 716 63.546 0.000152052 -3.53999 63.546000 Cu 0.617941 0.301174 1.01607e-16 714 63.546 0.000245305 -3.54 63.546000 Cu 0.610024 0.323721 1.19961e-19 757 63.546 0.000384731 -3.53999 63.546000 Cu 0.659125 0.31347 0.5 759 63.546 0.00033933 -3.53999 63.546000 Cu 0.708196 0.303259 1 761 63.546 0.000196228 -3.53994 63.546000 Cu 0.749379 0.315622 0.5 764 63.546 8.6256e-05 -3.5399 63.546000 Cu 0.798416 0.305448 3.27493e-17 762 63.546 0.000227768 -3.53989 63.546000 Cu 0.839516 0.317814 0.5 807 63.546 0.000278733 -3.53989 63.546000 Cu 0.888508 0.307562 7.56953e-17 809 63.546 0.000335145 -3.53992 63.546000 Cu 0.978658 0.309541 2.49998e-16 810 63.546 7.8453e-05 -3.53991 63.546000 Cu 0.929595 0.319873 0.5 812 63.546 0.000275331 -3.53988 63.546000 Cu 0.0608837 0.334034 1.85939e-16 854 63.546 0.000279781 -3.53998 63.546000 Cu 0.102173 0.346251 0.5 897 63.546 0.000657291 -3.53997 63.546000 Cu 0.0118466 0.344402 0.5 856 63.546 0.000134808 -3.53993 63.546000 Cu 0.151245 0.335985 4.33658e-16 899 63.546 0.000926405 -3.53994 63.546000 Cu 0.200325 0.325786 0.5 901 63.546 0.00059322 -3.53992 63.546000 Cu 0.192541 0.348295 0.5 902 63.546 0.00124495 -3.53982 63.546000 Cu 0.241538 0.338174 7.9654e-17 900 63.546 0.000201054 -3.53981 63.546000 Cu 0.290513 0.328028 0.5 906 63.546 0.000245924 -3.53984 63.546000 Cu 0.282724 0.350608 0.5 935 63.546 0.000337177 -3.5397 63.546000 Cu 0.331665 0.34044 1 937 63.546 0.000664411 -3.53977 63.546000 Cu 0.421722 0.342523 1 706 63.546 0.00071336 -3.5398 63.546000 Cu 0.380617 0.330178 0.5 707 63.546 0.000421968 -3.53983 63.546000 Cu 0.470679 0.332167 0.5 712 63.546 0.000344877 -3.53988 63.546000 Cu 0.511847 0.344402 1 753 63.546 0.000134808 -3.53993 63.546000 Cu 0.560884 0.334034 0.5 755 63.546 0.000279781 -3.53998 63.546000 Cu 0.602173 0.346251 7.28162e-17 754 63.546 0.000657291 -3.53997 63.546000 Cu 0.651245 0.335985 0.5 760 63.546 0.000926405 -3.53994 63.546000 Cu 0.700325 0.325786 2.39922e-19 758 63.546 0.00059322 -3.53992 63.546000 Cu 0.692541 0.348295 1.85819e-16 801 63.546 0.00124495 -3.53982 63.546000 Cu 0.741538 0.338174 0.5 803 63.546 0.000201054 -3.53981 63.546000 Cu 0.782724 0.350608 2.54317e-16 802 63.546 0.000337177 -3.5397 63.546000 Cu 0.790513 0.328028 2.7471e-17 805 63.546 0.000245924 -3.53984 63.546000 Cu 0.880617 0.330178 2.41601e-16 806 63.546 0.000421968 -3.53983 63.546000 Cu 0.831665 0.34044 0.5 808 63.546 0.000664411 -3.53977 63.546000 Cu 0.921722 0.342523 0.5 851 63.546 0.00071336 -3.5398 63.546000 Cu 0.970679 0.332167 1.5223e-16 853 63.546 0.000344877 -3.53988 63.546000 Cu 0.0530814 0.356591 1 895 63.546 0.000287182 -3.53995 63.546000 Cu 0.0943786 0.368747 0.5 898 63.546 0.00130562 -3.53988 63.546000 Cu 0.00402475 0.366996 0.5 893 63.546 0.000286046 -3.53984 63.546000 Cu 0.143499 0.358477 1 896 63.546 0.00169589 -3.53986 63.546000 Cu 0.184837 0.370765 0.5 931 63.546 0.00283576 -3.53964 63.546000 Cu 0.233829 0.360689 1.04126e-16 933 63.546 0.000753586 -3.53963 63.546000 Cu 0.323901 0.363073 4.09067e-17 934 63.546 0.00132427 -3.53958 63.546000 Cu 0.275051 0.373188 0.5 936 63.546 0.000696142 -3.53946 63.546000 Cu 0.372776 0.352839 0.5 708 63.546 0.00116899 -3.53969 63.546000 Cu 0.365003 0.37552 0.5 748 63.546 0.00259389 -3.53946 63.546000 Cu 0.413904 0.36519 8.54121e-17 749 63.546 0.00155401 -3.53965 63.546000 Cu 0.454991 0.377458 0.5 752 63.546 0.00136036 -3.5396 63.546000 Cu 0.504025 0.366996 1 750 63.546 0.000286046 -3.53984 63.546000 Cu 0.462842 0.3548 0.5 751 63.546 0.000582796 -3.53982 63.546000 Cu 0.553081 0.356591 0.5 756 63.546 0.000287182 -3.53995 63.546000 Cu 0.594379 0.368747 2.02734e-17 797 63.546 0.00130562 -3.53988 63.546000 Cu 0.643499 0.358477 0.5 799 63.546 0.00169589 -3.53986 63.546000 Cu 0.684837 0.370765 1.40474e-16 798 63.546 0.00283576 -3.53964 63.546000 Cu 0.733829 0.360689 0.5 804 63.546 0.000753586 -3.53963 63.546000 Cu 0.775051 0.373188 1 845 63.546 0.000696142 -3.53946 63.546000 Cu 0.865003 0.37552 1.5343e-16 846 63.546 0.00259389 -3.53946 63.546000 Cu 0.823901 0.363073 0.5 847 63.546 0.00132427 -3.53958 63.546000 Cu 0.872776 0.352839 1 849 63.546 0.00116899 -3.53969 63.546000 Cu 0.962842 0.3548 6.57385e-17 850 63.546 0.000582796 -3.53982 63.546000 Cu 0.913904 0.36519 0.5 852 63.546 0.00155401 -3.53965 63.546000 Cu 0.954991 0.377458 4.9184e-18 891 63.546 0.00136036 -3.5396 63.546000 Cu 0.0452681 0.379134 1 892 63.546 0.000646049 -3.53979 63.546000 Cu 0.0370638 0.40166 1 925 63.546 0.000967446 -3.53936 63.546000 Cu 0.0864371 0.391219 0.5 927 63.546 0.00233362 -3.53963 63.546000 Cu 0.127639 0.403306 1 926 63.546 0.00738356 -3.53917 63.546000 Cu 0.135712 0.380922 1 929 63.546 0.00369772 -3.53968 63.546000 Cu 0.176981 0.393179 0.5 932 63.546 0.00714751 -3.53928 63.546000 Cu 0.226096 0.383183 2.10171e-16 930 63.546 0.00233775 -3.53935 63.546000 Cu 0.26719 0.395796 0.5 957 63.546 0.00222673 -3.53901 63.546000 Cu 0.316087 0.385732 1.79222e-16 959 63.546 0.00257726 -3.5393 63.546000 Cu 0.405937 0.387903 1 747 63.546 0.00346545 -3.5393 63.546000 Cu 0.356928 0.398261 0.5 960 63.546 0.00543078 -3.53898 63.546000 Cu 0.446831 0.400155 0.5 791 63.546 0.00284178 -3.53911 63.546000 Cu 0.496059 0.389617 7.85744e-17 793 63.546 0.000777135 -3.53951 63.546000 Cu 0.545268 0.379134 0.5 795 63.546 0.000646049 -3.53979 63.546000 Cu 0.537064 0.40166 0.5 796 63.546 0.000967446 -3.53936 63.546000 Cu 0.586437 0.391219 1.75623e-16 794 63.546 0.00233362 -3.53963 63.546000 Cu 0.635712 0.380922 0.5 800 63.546 0.00369772 -3.53968 63.546000 Cu 0.627639 0.403306 0.5 839 63.546 0.00738356 -3.53917 63.546000 Cu 0.676981 0.393179 8.2773e-18 841 63.546 0.00714751 -3.53928 63.546000 Cu 0.76719 0.395796 1.07125e-16 842 63.546 0.00222673 -3.53901 63.546000 Cu 0.726096 0.383183 0.5 843 63.546 0.00233775 -3.53935 63.546000 Cu 0.816087 0.385732 0.5 848 63.546 0.00257726 -3.5393 63.546000 Cu 0.856928 0.398261 1.07125e-16 887 63.546 0.00543078 -3.53898 63.546000 Cu 0.905937 0.387903 0.5 889 63.546 0.00346545 -3.5393 63.546000 Cu 0.946831 0.400155 1 888 63.546 0.00284178 -3.53911 63.546000 Cu 0.996059 0.389617 0.5 894 63.546 0.000777135 -3.53951 63.546000 Cu 0.0286487 0.424194 1 922 63.546 0.00146521 -3.5386 63.546000 Cu 0.0781546 0.413654 0.5 928 63.546 0.00350002 -3.539 63.546000 Cu 0.119335 0.425606 3.45487e-16 951 63.546 0.0137655 -3.53809 63.546000 Cu 0.210138 0.42794 1.19961e-19 952 63.546 0.029848 -3.53525 63.546000 Cu 0.168851 0.415495 0.5 953 63.546 0.0187368 -3.53822 63.546000 Cu 0.218161 0.405618 1.19961e-19 955 63.546 0.00772182 -3.53851 63.546000 Cu 0.307994 0.408443 1.19961e-19 956 63.546 0.0056858 -3.53862 63.546000 Cu 0.259105 0.418426 0.5 958 63.546 0.00731077 -3.53754 63.546000 Cu 0.299781 0.431243 1.19961e-19 972 63.546 0.015518 -3.53643 63.546000 Cu 0.348634 0.421076 0.5 490 63.546 0.0113125 -3.53775 63.546000 Cu 0.397665 0.410675 1 789 63.546 0.00722865 -3.53856 63.546000 Cu 0.438367 0.4229 0.5 792 63.546 0.00528921 -3.53821 63.546000 Cu 0.487684 0.412244 1 790 63.546 0.00116941 -3.53893 63.546000 Cu 0.528649 0.424194 0.5 835 63.546 0.00146521 -3.5386 63.546000 Cu 0.578155 0.413654 1.35196e-16 837 63.546 0.00350002 -3.539 63.546000 Cu 0.619335 0.425606 0.5 840 63.546 0.0137655 -3.53809 63.546000 Cu 0.668851 0.415495 2.89466e-16 838 63.546 0.0187368 -3.53822 63.546000 Cu 0.718161 0.405618 0.5 844 63.546 0.00772182 -3.53851 63.546000 Cu 0.710138 0.42794 0.5 881 63.546 0.029848 -3.53525 63.546000 Cu 0.759105 0.418426 1 883 63.546 0.00731077 -3.53754 63.546000 Cu 0.848634 0.421076 7.00571e-17 884 63.546 0.0113125 -3.53775 63.546000 Cu 0.807994 0.408443 0.5 885 63.546 0.0056858 -3.53862 63.546000 Cu 0.799781 0.431243 0.5 886 63.546 0.015518 -3.53643 63.546000 Cu 0.897665 0.410675 0.5 890 63.546 0.00722865 -3.53856 63.546000 Cu 0.938367 0.4229 2.33324e-16 921 63.546 0.00528921 -3.53821 63.546000 Cu 0.987684 0.412244 0.5 923 63.546 0.00116941 -3.53893 63.546000 Cu 0.0200749 0.4467 1 947 63.546 0.00277038 -3.53723 63.546000 Cu 0.111049 0.447796 1.26799e-16 948 63.546 0.0227059 -3.53576 63.546000 Cu 0.0697399 0.436015 0.5 949 63.546 0.00604857 -3.5378 63.546000 Cu 0.0613172 0.458331 0.5 950 63.546 0.00868583 -3.53571 63.546000 Cu 0.160747 0.437679 0.5 954 63.546 0.0482499 -3.5354 63.546000 Cu 0.202289 0.450061 5.03836e-17 968 63.546 0.136104 -3.52279 63.546000 Cu 0.291611 0.454256 1.19961e-19 969 63.546 0.050908 -3.5319 63.546000 Cu 0.251184 0.44114 0.5 970 63.546 0.0312989 -3.53201 63.546000 Cu 0.38911 0.433544 1.60868e-16 788 63.546 0.015164 -3.53714 63.546000 Cu 0.340309 0.444069 0.5 486 63.546 0.0273366 -3.53506 63.546000 Cu 0.38066 0.456562 3.83875e-17 829 63.546 0.0277848 -3.53311 63.546000 Cu 0.429798 0.445722 0.5 831 63.546 0.00894919 -3.53637 63.546000 Cu 0.470546 0.457604 9.32096e-17 830 63.546 0.00558065 -3.53624 63.546000 Cu 0.479136 0.434896 1 833 63.546 0.00242655 -3.53788 63.546000 Cu 0.520075 0.4467 0.5 836 63.546 0.00277038 -3.53723 63.546000 Cu 0.56974 0.436015 1.05206e-16 834 63.546 0.00604857 -3.5378 63.546000 Cu 0.561317 0.458331 4.8896e-16 875 63.546 0.00868583 -3.53571 63.546000 Cu 0.611049 0.447796 0.5 877 63.546 0.0227059 -3.53576 63.546000 Cu 0.660747 0.437679 2.55517e-17 879 63.546 0.0482499 -3.5354 63.546000 Cu 0.751184 0.44114 1.71904e-16 880 63.546 0.0312989 -3.53201 63.546000 Cu 0.702289 0.450061 0.5 882 63.546 0.136104 -3.52279 63.546000 Cu 0.791611 0.454256 0.5 915 63.546 0.050908 -3.5319 63.546000 Cu 0.840309 0.444069 1.19961e-19 917 63.546 0.0273366 -3.53506 63.546000 Cu 0.88066 0.456562 0.5 920 63.546 0.0277848 -3.53311 63.546000 Cu 0.88911 0.433544 0.5 919 63.546 0.015164 -3.53714 63.546000 Cu 0.929798 0.445722 1.81141e-16 918 63.546 0.00894919 -3.53637 63.546000 Cu 0.979136 0.434896 0.5 924 63.546 0.00242655 -3.53788 63.546000 Cu 0.970546 0.457604 0.5 945 63.546 0.00558065 -3.53624 63.546000 Cu 0.0534188 0.48064 0.5 963 63.546 0.025696 -3.53542 63.546000 Cu 0.10262 0.469844 1.57988e-16 964 63.546 0.0357901 -3.53248 63.546000 Cu 0.0117104 0.469206 2.39922e-19 944 63.546 0.00689023 -3.53603 63.546000 Cu 0.194563 0.471769 8.5892e-17 965 63.546 0.545157 -3.48751 63.546000 Cu 0.152707 0.459671 0.5 966 63.546 0.133007 -3.52773 63.546000 Cu 0.144438 0.481393 0.5 967 63.546 0.335957 -3.5114 63.546000 Cu 0.332266 0.467268 0.5 15 63.546 0.0636451 -3.52182 63.546000 Cu 0.283689 0.477488 2.39922e-19 59 63.546 0.253478 -3.49384 63.546000 Cu 0.243784 0.464101 0.5 971 63.546 0.166119 -3.51694 63.546000 Cu 0.371654 0.479971 3.87474e-17 828 63.546 0.121734 -3.52691 63.546000 Cu 0.42124 0.468704 0.5 832 63.546 0.0231672 -3.53322 63.546000 Cu 0.462595 0.480345 1 871 63.546 0.0164904 -3.53651 63.546000 Cu 0.553419 0.48064 1.49111e-16 872 63.546 0.025696 -3.53542 63.546000 Cu 0.51171 0.469206 0.5 873 63.546 0.00689023 -3.53603 63.546000 Cu 0.652707 0.459671 1 876 63.546 0.133007 -3.52773 63.546000 Cu 0.60262 0.469844 0.5 878 63.546 0.0357901 -3.53248 63.546000 Cu 0.644438 0.481393 1 909 63.546 0.335957 -3.5114 63.546000 Cu 0.694563 0.471769 0.5 911 63.546 0.545157 -3.48751 63.546000 Cu 0.743784 0.464101 5.86609e-17 913 63.546 0.166119 -3.51694 63.546000 Cu 0.783689 0.477488 0.5 916 63.546 0.253478 -3.49384 63.546000 Cu 0.832266 0.467268 4.51053e-17 914 63.546 0.0636451 -3.52182 63.546000 Cu 0.871654 0.479971 0.5 941 63.546 0.121734 -3.52691 63.546000 Cu 0.92124 0.468704 3.3841e-16 943 63.546 0.0231672 -3.53322 63.546000 Cu 0.962595 0.480345 0.5 946 63.546 0.0164904 -3.53651 63.546000 Cu 0.0500404 0.503054 0.5 33 63.546 0.0476605 -3.53742 63.546000 Cu 0.0958364 0.491924 1.19961e-19 962 63.546 0.070134 -3.53274 63.546000 Cu 0.00530107 0.491792 1.19961e-19 961 63.546 0.0437748 -3.53797 63.546000 Cu 0.186894 0.513277 9.35695e-17 13 63.546 7.21181 -3.39739 63.546000 Cu 0.139324 0.503048 0.5 14 63.546 3.54383 -3.44694 63.546000 Cu 0.186837 0.492841 2.05373e-16 469 63.546 7.19102 -3.39745 63.546000 Cu 0.237462 0.486983 0.5 60 63.546 5.7299 -3.35584 63.546000 Cu 0.32302 0.491469 0.5 3 63.546 0.526377 -3.49317 63.546000 Cu 0.271497 0.503093 2.21088e-16 468 63.546 4.8476 -3.40055 63.546000 Cu 0.366223 0.503087 2.56716e-17 869 63.546 0.182133 -3.52614 63.546000 Cu 0.414255 0.491641 0.5 870 63.546 0.0457786 -3.53529 63.546000 Cu 0.458343 0.503058 1 4 63.546 0.0893818 -3.53676 63.546000 Cu 0.505301 0.491792 0.5 874 63.546 0.0437748 -3.53797 63.546000 Cu 0.55004 0.503054 0 1 63.546 0.0476605 -3.53742 63.546000 Cu 0.639324 0.503048 1 92 63.546 3.54383 -3.44694 63.546000 Cu 0.595836 0.491924 0.5 908 63.546 0.070134 -3.53274 63.546000 Cu 0.737462 0.486983 3.65881e-17 910 63.546 5.7299 -3.35584 63.546000 Cu 0.686837 0.492841 0.5 912 63.546 7.19102 -3.39745 63.546000 Cu 0.686894 0.513277 0.5 94 63.546 7.21181 -3.39739 63.546000 Cu 0.771497 0.503093 0.5 938 63.546 4.8476 -3.40055 63.546000 Cu 0.82302 0.491469 1 939 63.546 0.526377 -3.49317 63.546000 Cu 0.866223 0.503087 0.5 942 63.546 0.182133 -3.52614 63.546000 Cu 0.958343 0.503058 0.5 34 63.546 0.0893818 -3.53676 63.546000 Cu 0.914255 0.491641 1 940 63.546 0.0457786 -3.53529 63.546000 Cu 0.0958902 0.514196 2.16409e-16 35 63.546 0.0714647 -3.53269 63.546000 Cu 0.00537539 0.514326 1 32 63.546 0.0437142 -3.53786 63.546000 Cu 0.0535704 0.525484 0.5 38 63.546 0.0252648 -3.53526 63.546000 Cu 0.0119083 0.536906 3.22335e-16 65 63.546 0.00643663 -3.53598 63.546000 Cu 0.102827 0.536259 1 36 63.546 0.0334587 -3.53234 63.546000 Cu 0.144593 0.52473 0.5 37 63.546 0.329313 -3.51219 63.546000 Cu 0.194772 0.534358 1.8474e-17 39 63.546 0.535117 -3.4886 63.546000 Cu 0.28384 0.528688 2.1473e-17 16 63.546 0.248476 -3.49429 63.546000 Cu 0.237507 0.519185 0.5 18 63.546 5.72472 -3.35824 63.546000 Cu 0.323138 0.514707 0.5 17 63.546 0.517686 -3.49321 63.546000 Cu 0.332436 0.538911 0.5 22 63.546 0.0609794 -3.52199 63.546000 Cu 0.414329 0.514509 0.5 7 63.546 0.045754 -3.53533 63.546000 Cu 0.371841 0.526202 1.63507e-16 19 63.546 0.116757 -3.527 63.546000 Cu 0.421456 0.537439 0.5 21 63.546 0.0231746 -3.53344 63.546000 Cu 0.462766 0.525785 1 5 63.546 0.0155398 -3.53653 63.546000 Cu 0.505375 0.514326 0.5 6 63.546 0.0437142 -3.53786 63.546000 Cu 0.511908 0.536906 0.5 11 63.546 0.00643663 -3.53598 63.546000 Cu 0.55357 0.525484 1 8 63.546 0.0252648 -3.53526 63.546000 Cu 0.59589 0.514196 0.5 2 63.546 0.0714647 -3.53269 63.546000 Cu 0.602827 0.536259 0.5 10 63.546 0.0334587 -3.53234 63.546000 Cu 0.644593 0.52473 1 93 63.546 0.329313 -3.51219 63.546000 Cu 0.737507 0.519185 1.19961e-19 95 63.546 5.72472 -3.35824 63.546000 Cu 0.694772 0.534358 0.5 98 63.546 0.535117 -3.4886 63.546000 Cu 0.823138 0.514707 1 58 63.546 0.517686 -3.49321 63.546000 Cu 0.78384 0.528688 0.5 97 63.546 0.248476 -3.49429 63.546000 Cu 0.871841 0.526202 0.5 64 63.546 0.116757 -3.527 63.546000 Cu 0.832436 0.538911 1.73463e-16 99 63.546 0.0609794 -3.52199 63.546000 Cu 0.914329 0.514509 2.39922e-19 61 63.546 0.045754 -3.53533 63.546000 Cu 0.921456 0.537439 5.57818e-17 62 63.546 0.0231746 -3.53344 63.546000 Cu 0.962766 0.525785 0.5 63 63.546 0.0155398 -3.53653 63.546000 Cu 0.0202843 0.55941 1 66 63.546 0.00272291 -3.53733 63.546000 Cu 0.0615286 0.547774 0.5 67 63.546 0.00832383 -3.53562 63.546000 Cu 0.202555 0.556064 1.24639e-16 40 63.546 0.132331 -3.52326 63.546000 Cu 0.152962 0.546441 0.5 42 63.546 0.129217 -3.52772 63.546000 Cu 0.111302 0.558308 1.77542e-17 69 63.546 0.021778 -3.53579 63.546000 Cu 0.243973 0.542067 0.5 41 63.546 0.158593 -3.51773 63.546000 Cu 0.29187 0.551915 1.96136e-16 43 63.546 0.0481051 -3.53203 63.546000 Cu 0.2514 0.565024 0.5 46 63.546 0.0291213 -3.53222 63.546000 Cu 0.380908 0.549608 1.15522e-16 20 63.546 0.0254379 -3.53319 63.546000 Cu 0.340522 0.5621 0.5 45 63.546 0.0264305 -3.53517 63.546000 Cu 0.430045 0.560422 0.5 26 63.546 0.00855721 -3.5366 63.546000 Cu 0.470776 0.548511 1 23 63.546 0.0059573 -3.5364 63.546000 Cu 0.520284 0.55941 0.5 25 63.546 0.00272291 -3.53733 63.546000 Cu 0.561529 0.547774 1 9 63.546 0.00832383 -3.53562 63.546000 Cu 0.611302 0.558308 0.5 12 63.546 0.021778 -3.53579 63.546000 Cu 0.652962 0.546441 1 134 63.546 0.129217 -3.52772 63.546000 Cu 0.743973 0.542067 2.51558e-16 96 63.546 0.158593 -3.51773 63.546000 Cu 0.702555 0.556064 0.5 136 63.546 0.132331 -3.52326 63.546000 Cu 0.7514 0.565024 1.67225e-16 137 63.546 0.0291213 -3.53222 63.546000 Cu 0.840522 0.5621 1 100 63.546 0.0264305 -3.53517 63.546000 Cu 0.79187 0.551915 0.5 102 63.546 0.0481051 -3.53203 63.546000 Cu 0.880908 0.549608 0.5 101 63.546 0.0254379 -3.53319 63.546000 Cu 0.970776 0.548511 0.5 68 63.546 0.0059573 -3.5364 63.546000 Cu 0.930045 0.560422 6.65783e-17 103 63.546 0.00855721 -3.5366 63.546000 Cu 0.0698988 0.570084 0.5 72 63.546 0.0056085 -3.53786 63.546000 Cu 0.0287019 0.581904 1 107 63.546 0.00139575 -3.53875 63.546000 Cu 0.078159 0.592438 0.5 109 63.546 0.00315644 -3.53901 63.546000 Cu 0.119443 0.580499 1 70 63.546 0.0133844 -3.53805 63.546000 Cu 0.160971 0.568427 0.5 71 63.546 0.0453523 -3.53536 63.546000 Cu 0.168912 0.590609 0.5 76 63.546 0.0171847 -3.53822 63.546000 Cu 0.210272 0.578194 1.44793e-16 73 63.546 0.0294559 -3.53531 63.546000 Cu 0.29994 0.574933 2.51918e-16 44 63.546 0.01393 -3.53641 63.546000 Cu 0.259169 0.587732 0.5 75 63.546 0.00679454 -3.53757 63.546000 Cu 0.389278 0.572618 7.50955e-17 47 63.546 0.0138061 -3.5373 63.546000 Cu 0.348706 0.585092 0.5 50 63.546 0.0106095 -3.53771 63.546000 Cu 0.438425 0.583241 0.5 49 63.546 0.00497303 -3.53847 63.546000 Cu 0.479295 0.571214 1.16002e-16 24 63.546 0.00288785 -3.53815 63.546000 Cu 0.528702 0.581904 0.5 30 63.546 0.00139575 -3.53875 63.546000 Cu 0.48765 0.593862 1.19961e-19 51 63.546 0.00159216 -3.53911 63.546000 Cu 0.569899 0.570084 9.95675e-18 27 63.546 0.0056085 -3.53786 63.546000 Cu 0.578159 0.592438 1.19961e-19 28 63.546 0.00315644 -3.53901 63.546000 Cu 0.619443 0.580499 0.5 29 63.546 0.0133844 -3.53805 63.546000 Cu 0.660971 0.568427 1.09644e-16 135 63.546 0.0453523 -3.53536 63.546000 Cu 0.759169 0.587732 5.14632e-17 138 63.546 0.00679454 -3.53757 63.546000 Cu 0.710272 0.578194 0.5 140 63.546 0.0294559 -3.53531 63.546000 Cu 0.668912 0.590609 2.04413e-16 174 63.546 0.0171847 -3.53822 63.546000 Cu 0.79994 0.574933 0.5 139 63.546 0.01393 -3.53641 63.546000 Cu 0.848706 0.585092 2.54077e-16 141 63.546 0.0106095 -3.53771 63.546000 Cu 0.98765 0.593862 0.5 110 63.546 0.00159216 -3.53911 63.546000 Cu 0.938425 0.583241 1 104 63.546 0.00497303 -3.53847 63.546000 Cu 0.979295 0.571214 0.5 105 63.546 0.00288785 -3.53815 63.546000 Cu 0.889278 0.572618 0.5 106 63.546 0.0138061 -3.5373 63.546000 Cu 0.0369986 0.604421 1 108 63.546 0.000796932 -3.53939 63.546000 Cu 0.0864241 0.614868 0.5 114 63.546 0.00201706 -3.53956 63.546000 Cu 0.127584 0.602787 2.60315e-16 111 63.546 0.00679716 -3.53912 63.546000 Cu 0.176962 0.612927 0.5 113 63.546 0.00646249 -3.53933 63.546000 Cu 0.218125 0.600511 2.39922e-19 74 63.546 0.00731285 -3.53853 63.546000 Cu 0.307981 0.597731 1 77 63.546 0.00475037 -3.53864 63.546000 Cu 0.267151 0.610362 0.5 80 63.546 0.00168834 -3.53918 63.546000 Cu 0.316179 0.620431 1 78 63.546 0.0019228 -3.53944 63.546000 Cu 0.39766 0.595488 8.61319e-17 48 63.546 0.00614575 -3.53865 63.546000 Cu 0.35691 0.607912 0.5 79 63.546 0.00452539 -3.53903 63.546000 Cu 0.40601 0.618253 1 81 63.546 0.00273483 -3.53934 63.546000 Cu 0.496068 0.616486 1 52 63.546 0.000796919 -3.53949 63.546000 Cu 0.536999 0.604421 0.5 53 63.546 0.000796932 -3.53939 63.546000 Cu 0.446793 0.60598 0.5 54 63.546 0.00257215 -3.53921 63.546000 Cu 0.627584 0.602787 0.5 31 63.546 0.00679716 -3.53912 63.546000 Cu 0.586424 0.614868 9.17701e-17 55 63.546 0.00201706 -3.53956 63.546000 Cu 0.676962 0.612927 1 175 63.546 0.00646249 -3.53933 63.546000 Cu 0.718125 0.600511 0.5 176 63.546 0.00731285 -3.53853 63.546000 Cu 0.767151 0.610362 2.39922e-19 177 63.546 0.00168834 -3.53918 63.546000 Cu 0.85691 0.607912 2.64394e-16 142 63.546 0.00452539 -3.53903 63.546000 Cu 0.807981 0.597731 0.5 144 63.546 0.00475037 -3.53864 63.546000 Cu 0.816179 0.620431 0.5 179 63.546 0.0019228 -3.53944 63.546000 Cu 0.996068 0.616486 0.5 147 63.546 0.000796919 -3.53949 63.546000 Cu 0.89766 0.595488 0.5 143 63.546 0.00614575 -3.53865 63.546000 Cu 0.946793 0.60598 2.50838e-16 145 63.546 0.00257215 -3.53921 63.546000 Cu 0.90601 0.618253 0.5 148 63.546 0.00273483 -3.53934 63.546000 Cu 0.0454416 0.626951 1.19961e-19 149 63.546 0.000372366 -3.53967 63.546000 Cu 0.00453608 0.639091 0.5 152 63.546 0.000315788 -3.53971 63.546000 Cu 0.0948391 0.637332 0.5 151 63.546 0.00108044 -3.53981 63.546000 Cu 0.135855 0.625164 3.25814e-16 112 63.546 0.0031315 -3.53968 63.546000 Cu 0.185202 0.635324 0.5 118 63.546 0.0021938 -3.5398 63.546000 Cu 0.144205 0.647612 1 153 63.546 0.00156367 -3.5399 63.546000 Cu 0.226223 0.622941 1.5403e-16 115 63.546 0.00226163 -3.53958 63.546000 Cu 0.234444 0.645426 1.09404e-16 116 63.546 0.000639688 -3.53987 63.546000 Cu 0.275363 0.632948 0.5 117 63.546 0.000578039 -3.5397 63.546000 Cu 0.324484 0.643084 1.81021e-16 119 63.546 0.000723939 -3.53973 63.546000 Cu 0.414457 0.640943 0 82 63.546 0.0013632 -3.53967 63.546000 Cu 0.365274 0.630633 0.5 84 63.546 0.00205197 -3.53954 63.546000 Cu 0.45524 0.628668 0.5 83 63.546 0.00108632 -3.53956 63.546000 Cu 0.504536 0.639091 1.19961e-19 85 63.546 0.000315788 -3.53971 63.546000 Cu 0.545442 0.626951 0.5 57 63.546 0.000372366 -3.53967 63.546000 Cu 0.594839 0.637332 1 56 63.546 0.00108044 -3.53981 63.546000 Cu 0.635855 0.625164 0.5 214 63.546 0.0031315 -3.53968 63.546000 Cu 0.644205 0.647612 0.5 218 63.546 0.00156367 -3.5399 63.546000 Cu 0.726223 0.622941 0.5 180 63.546 0.00226163 -3.53958 63.546000 Cu 0.685202 0.635324 2.1329e-16 215 63.546 0.0021938 -3.5398 63.546000 Cu 0.734444 0.645426 0.5 217 63.546 0.000639688 -3.53987 63.546000 Cu 0.775363 0.632948 6.71781e-18 178 63.546 0.000578039 -3.5397 63.546000 Cu 0.865274 0.630633 2.56356e-16 181 63.546 0.00205197 -3.53954 63.546000 Cu 0.824484 0.643084 0.5 184 63.546 0.000723939 -3.53973 63.546000 Cu 0.95524 0.628668 7.50955e-17 146 63.546 0.00108632 -3.53956 63.546000 Cu 0.914457 0.640943 0.5 183 63.546 0.0013632 -3.53967 63.546000 Cu 0.0538699 0.649492 1 150 63.546 0.000226753 -3.53984 63.546000 Cu 0.0129646 0.661694 0.5 187 63.546 0.000133013 -3.53983 63.546000 Cu 0.062211 0.672056 1.80061e-16 189 63.546 0.000173277 -3.53993 63.546000 Cu 0.103209 0.659835 0.5 156 63.546 0.000572311 -3.53994 63.546000 Cu 0.152465 0.670104 0 154 63.546 0.000722771 -3.53999 63.546000 Cu 0.193487 0.657801 0.5 155 63.546 0.000940507 -3.53995 63.546000 Cu 0.283651 0.655533 0.5 122 63.546 0.000229892 -3.53988 63.546000 Cu 0.242696 0.667946 3.33131e-16 157 63.546 0.000214799 -3.53994 63.546000 Cu 0.332807 0.665709 1.10964e-16 120 63.546 0.000328738 -3.53986 63.546000 Cu 0.37367 0.653302 0.5 121 63.546 0.000947898 -3.53977 63.546000 Cu 0.422835 0.663596 1 123 63.546 0.000739545 -3.53982 63.546000 Cu 0.512965 0.661694 1 86 63.546 0.000133013 -3.53983 63.546000 Cu 0.463694 0.651307 0.5 88 63.546 0.00061742 -3.53976 63.546000 Cu 0.471987 0.673934 0.5 125 63.546 0.00029548 -3.53985 63.546000 Cu 0.55387 0.649492 0.5 87 63.546 0.000226753 -3.53984 63.546000 Cu 0.603209 0.659835 1 89 63.546 0.000572311 -3.53994 63.546000 Cu 0.562211 0.672056 0.5 91 63.546 0.000173277 -3.53993 63.546000 Cu 0.652465 0.670104 0.5 256 63.546 0.000722771 -3.53999 63.546000 Cu 0.693487 0.657801 2.46759e-16 216 63.546 0.000940507 -3.53995 63.546000 Cu 0.742696 0.667946 0.5 222 63.546 0.000214799 -3.53994 63.546000 Cu 0.783651 0.655533 1.12403e-16 219 63.546 0.000229892 -3.53988 63.546000 Cu 0.832807 0.665709 0.5 221 63.546 0.000328738 -3.53986 63.546000 Cu 0.87367 0.653302 1 182 63.546 0.000947898 -3.53977 63.546000 Cu 0.963694 0.651307 1 185 63.546 0.00061742 -3.53976 63.546000 Cu 0.971987 0.673934 1.55109e-16 186 63.546 0.00029548 -3.53985 63.546000 Cu 0.922835 0.663596 0.5 188 63.546 0.000739545 -3.53982 63.546000 Cu 0.0703549 0.694629 8.24131e-17 190 63.546 0.000103044 -3.53997 63.546000 Cu 0.0211755 0.684295 0.5 192 63.546 4.53999e-05 -3.53991 63.546000 Cu 0.201646 0.680311 0.5 160 63.546 0.000319993 -3.53998 63.546000 Cu 0.111411 0.682371 0.5 191 63.546 0.000317808 -3.53999 63.546000 Cu 0.160586 0.692635 3.43568e-16 193 63.546 0.000353309 -3.53999 63.546000 Cu 0.250807 0.690498 1.82101e-16 158 63.546 9.12437e-05 -3.53996 63.546000 Cu 0.29183 0.678111 0.5 159 63.546 5.61102e-05 -3.53992 63.546000 Cu 0.299925 0.700673 0.5 164 63.546 8.17723e-05 -3.53995 63.546000 Cu 0.381911 0.675935 0.5 126 63.546 0.000537375 -3.53988 63.546000 Cu 0.340949 0.688305 1.26919e-16 161 63.546 0.000221454 -3.53994 63.546000 Cu 0.390051 0.698541 0.5 163 63.546 0.000414424 -3.53992 63.546000 Cu 0.431032 0.686223 2.31524e-17 124 63.546 0.000383755 -3.53988 63.546000 Cu 0.521175 0.684295 1.12043e-16 127 63.546 4.53999e-05 -3.53991 63.546000 Cu 0.480191 0.696555 0.5 130 63.546 8.96521e-05 -3.5399 63.546000 Cu 0.611411 0.682371 3.88673e-17 90 63.546 0.000317808 -3.53999 63.546000 Cu 0.570355 0.694629 0.5 129 63.546 0.000103044 -3.53997 63.546000 Cu 0.660586 0.692635 0.5 260 63.546 0.000353309 -3.53999 63.546000 Cu 0.701646 0.680311 2.01414e-16 257 63.546 0.000319993 -3.53998 63.546000 Cu 0.750807 0.690498 0.5 259 63.546 9.12437e-05 -3.53996 63.546000 Cu 0.79183 0.678111 3.15857e-16 220 63.546 5.61102e-05 -3.53992 63.546000 Cu 0.840949 0.688305 0.5 226 63.546 0.000221454 -3.53994 63.546000 Cu 0.799925 0.700673 2.43521e-17 261 63.546 8.17723e-05 -3.53995 63.546000 Cu 0.881911 0.675935 3.053e-16 223 63.546 0.000537375 -3.53988 63.546000 Cu 0.890051 0.698541 1 224 63.546 0.000414424 -3.53992 63.546000 Cu 0.931032 0.686223 0.5 225 63.546 0.000383755 -3.53988 63.546000 Cu 0.980191 0.696555 1 227 63.546 8.96521e-05 -3.5399 63.546000 Cu 0.0293185 0.706891 0.5 229 63.546 3.31791e-05 -3.53995 63.546000 Cu 0.0784173 0.717205 1 231 63.546 6.04308e-05 -3.53997 63.546000 Cu 0.0373348 0.729489 0.5 234 63.546 1.73392e-05 -3.53996 63.546000 Cu 0.168622 0.715189 7.55753e-18 194 63.546 0.000307525 -3.53998 63.546000 Cu 0.11951 0.704927 0.5 196 63.546 0.000216168 -3.53999 63.546000 Cu 0.127505 0.727503 0.5 233 63.546 0.000251599 -3.53998 63.546000 Cu 0.209735 0.702853 0.5 195 63.546 0.000201718 -3.53997 63.546000 Cu 0.217709 0.725403 0.5 200 63.546 8.67622e-05 -3.53996 63.546000 Cu 0.258834 0.713036 1 197 63.546 2.24065e-05 -3.53995 63.546000 Cu 0.307906 0.723241 0.5 199 63.546 8.62507e-05 -3.53996 63.546000 Cu 0.349 0.710881 7.49755e-17 162 63.546 0.000285923 -3.53995 63.546000 Cu 0.398082 0.72115 0.5 168 63.546 0.000165591 -3.53994 63.546000 Cu 0.439152 0.70884 2.52997e-16 165 63.546 0.000138595 -3.53991 63.546000 Cu 0.529318 0.706891 6.69382e-17 128 63.546 3.31791e-05 -3.53995 63.546000 Cu 0.488239 0.719161 0.5 167 63.546 2.89538e-05 -3.53993 63.546000 Cu 0.537335 0.729489 1 169 63.546 1.73392e-05 -3.53996 63.546000 Cu 0.61951 0.704927 1 131 63.546 0.000216168 -3.53999 63.546000 Cu 0.627505 0.727503 1.19961e-19 132 63.546 0.000251599 -3.53998 63.546000 Cu 0.578417 0.717205 0.5 133 63.546 6.04308e-05 -3.53997 63.546000 Cu 0.709735 0.702853 2.50238e-16 258 63.546 0.000201718 -3.53997 63.546000 Cu 0.758834 0.713036 0.5 264 63.546 2.24065e-05 -3.53995 63.546000 Cu 0.668622 0.715189 0.5 296 63.546 0.000307525 -3.53998 63.546000 Cu 0.717709 0.725403 1.88698e-16 297 63.546 8.67622e-05 -3.53996 63.546000 Cu 0.807906 0.723241 1 262 63.546 8.62507e-05 -3.53996 63.546000 Cu 0.849 0.710881 0.5 263 63.546 0.000285923 -3.53995 63.546000 Cu 0.988239 0.719161 1 228 63.546 2.89538e-05 -3.53993 63.546000 Cu 0.939152 0.70884 0.5 230 63.546 0.000138595 -3.53991 63.546000 Cu 0.898082 0.72115 5.07434e-17 265 63.546 0.000165591 -3.53994 63.546000 Cu 0.0864438 0.739798 1.36156e-16 232 63.546 0.000122364 -3.53997 63.546000 Cu 0.0453575 0.75208 0.5 271 63.546 3.00127e-05 -3.53996 63.546000 Cu 0.176624 0.737749 1 235 63.546 0.00022398 -3.53998 63.546000 Cu 0.13556 0.75007 0.5 238 63.546 0.000229108 -3.53997 63.546000 Cu 0.266818 0.735592 1.25719e-16 198 63.546 2.27388e-05 -3.53997 63.546000 Cu 0.225733 0.747946 0.5 237 63.546 1.51688e-05 -3.53997 63.546000 Cu 0.315925 0.745799 0.5 204 63.546 0.00013303 -3.53997 63.546000 Cu 0.357011 0.733468 4.5825e-17 201 63.546 0.000204994 -3.53997 63.546000 Cu 0.365021 0.756039 1.48871e-16 202 63.546 0.000296613 -3.53997 63.546000 Cu 0.406123 0.743739 0.5 203 63.546 0.00016369 -3.53996 63.546000 Cu 0.447188 0.731452 1 166 63.546 4.92382e-05 -3.53994 63.546000 Cu 0.496276 0.74177 0.5 172 63.546 1.03668e-05 -3.53995 63.546000 Cu 0.45518 0.754048 1 205 63.546 1.51218e-05 -3.53996 63.546000 Cu 0.545357 0.75208 2.50718e-17 170 63.546 3.00127e-05 -3.53996 63.546000 Cu 0.586444 0.739798 0.5 171 63.546 0.000122364 -3.53997 63.546000 Cu 0.63556 0.75007 1.8354e-17 336 63.546 0.000229108 -3.53997 63.546000 Cu 0.725733 0.747946 1.19961e-19 298 63.546 1.51688e-05 -3.53997 63.546000 Cu 0.676624 0.737749 0.5 300 63.546 0.00022398 -3.53998 63.546000 Cu 0.766818 0.735592 0.5 299 63.546 2.27388e-05 -3.53997 63.546000 Cu 0.857011 0.733468 0.5 268 63.546 0.000204994 -3.53997 63.546000 Cu 0.815925 0.745799 1.238e-16 301 63.546 0.00013303 -3.53997 63.546000 Cu 0.865021 0.756039 0.5 303 63.546 0.000296613 -3.53997 63.546000 Cu 0.996276 0.74177 1 269 63.546 1.03668e-05 -3.53995 63.546000 Cu 0.906123 0.743739 1 266 63.546 0.00016369 -3.53996 63.546000 Cu 0.947188 0.731452 0.5 267 63.546 4.92382e-05 -3.53994 63.546000 Cu 0.95518 0.754048 0.5 272 63.546 1.51218e-05 -3.53996 63.546000 Cu 0.00425637 0.764364 1 270 63.546 2.81494e-06 -3.53996 63.546000 Cu 0.0533462 0.774678 0.5 276 63.546 4.95705e-05 -3.53996 63.546000 Cu 0.0944559 0.762378 1.00887e-16 273 63.546 0.00011883 -3.53996 63.546000 Cu 0.184628 0.760305 1.97815e-16 236 63.546 0.000132824 -3.53996 63.546000 Cu 0.143517 0.772659 0.5 275 63.546 0.000364933 -3.53996 63.546000 Cu 0.192613 0.782876 3.94551e-16 277 63.546 7.94942e-05 -3.53995 63.546000 Cu 0.274816 0.758144 1 239 63.546 6.68971e-05 -3.53996 63.546000 Cu 0.282771 0.780711 1 240 63.546 0.000105728 -3.53997 63.546000 Cu 0.233707 0.770506 0.5 242 63.546 6.99527e-06 -3.53995 63.546000 Cu 0.323889 0.768369 0.5 241 63.546 0.000183378 -3.53997 63.546000 Cu 0.414057 0.766337 0.5 208 63.546 5.94933e-05 -3.53997 63.546000 Cu 0.372941 0.77863 2.87906e-18 243 63.546 0.000170933 -3.53998 63.546000 Cu 0.463152 0.776643 1.10364e-16 206 63.546 1.26637e-05 -3.53996 63.546000 Cu 0.504256 0.764364 0.5 207 63.546 2.81494e-06 -3.53996 63.546000 Cu 0.553346 0.774678 1 209 63.546 4.95705e-05 -3.53996 63.546000 Cu 0.594456 0.762378 0.5 173 63.546 0.00011883 -3.53996 63.546000 Cu 0.643517 0.772659 9.53689e-17 337 63.546 0.000364933 -3.53996 63.546000 Cu 0.684628 0.760305 0.5 338 63.546 0.000132824 -3.53996 63.546000 Cu 0.733707 0.770506 1 339 63.546 6.99527e-06 -3.53995 63.546000 Cu 0.692613 0.782876 0.5 342 63.546 7.94942e-05 -3.53995 63.546000 Cu 0.774816 0.758144 0.5 304 63.546 6.68971e-05 -3.53996 63.546000 Cu 0.823889 0.768369 6.29794e-17 302 63.546 0.000183378 -3.53997 63.546000 Cu 0.782771 0.780711 0.5 341 63.546 0.000105728 -3.53997 63.546000 Cu 0.872941 0.77863 0.5 308 63.546 0.000170933 -3.53998 63.546000 Cu 0.914057 0.766337 1 305 63.546 5.94933e-05 -3.53997 63.546000 Cu 0.963152 0.776643 0.5 307 63.546 1.26637e-05 -3.53996 63.546000 Cu 0.0122409 0.786962 1 309 63.546 3.08308e-05 -3.53996 63.546000 Cu 0.0203501 0.809557 0 310 63.546 7.18509e-05 -3.53991 63.546000 Cu 0.0613472 0.797269 0.5 311 63.546 0.000122705 -3.53993 63.546000 Cu 0.102416 0.78498 1 274 63.546 0.000298361 -3.53995 63.546000 Cu 0.110466 0.807571 6.27395e-17 313 63.546 0.00034014 -3.53991 63.546000 Cu 0.200567 0.805446 2.19648e-16 278 63.546 0.000126496 -3.53993 63.546000 Cu 0.151502 0.795227 0.5 280 63.546 0.000225626 -3.53994 63.546000 Cu 0.241666 0.793068 0.5 279 63.546 2.52309e-05 -3.53994 63.546000 Cu 0.290751 0.803264 1 281 63.546 0.000227881 -3.53997 63.546000 Cu 0.331855 0.790936 0.5 246 63.546 0.000208727 -3.53999 63.546000 Cu 0.380966 0.801191 1 244 63.546 0.000258133 -3.54 63.546000 Cu 0.422063 0.788918 0.5 245 63.546 7.42169e-05 -3.53998 63.546000 Cu 0.512241 0.786962 0.5 212 63.546 3.08308e-05 -3.53996 63.546000 Cu 0.471166 0.799234 1.15762e-16 247 63.546 4.83222e-05 -3.53996 63.546000 Cu 0.52035 0.809557 0.5 249 63.546 7.18509e-05 -3.53991 63.546000 Cu 0.561347 0.797269 5.5182e-18 210 63.546 0.000122705 -3.53993 63.546000 Cu 0.602416 0.78498 0.5 211 63.546 0.000298361 -3.53995 63.546000 Cu 0.610466 0.807571 0.5 213 63.546 0.00034014 -3.53991 63.546000 Cu 0.651502 0.795227 2.42081e-16 378 63.546 0.000225626 -3.53994 63.546000 Cu 0.741666 0.793068 9.59687e-19 340 63.546 2.52309e-05 -3.53994 63.546000 Cu 0.700567 0.805446 0.5 380 63.546 0.000126496 -3.53993 63.546000 Cu 0.831855 0.790936 0 343 63.546 0.000208727 -3.53999 63.546000 Cu 0.790751 0.803264 0.5 346 63.546 0.000227881 -3.53997 63.546000 Cu 0.880966 0.801191 0.5 345 63.546 0.000258133 -3.54 63.546000 Cu 0.922063 0.788918 3.14058e-16 306 63.546 7.42169e-05 -3.53998 63.546000 Cu 0.971166 0.799234 0.5 312 63.546 4.83222e-05 -3.53996 63.546000 Cu 0.069512 0.819894 0.5 316 63.546 0.000277667 -3.53987 63.546000 Cu 0.0285769 0.832179 9.39294e-17 351 63.546 0.000218697 -3.53987 63.546000 Cu 0.118651 0.8302 1 314 63.546 0.000615363 -3.53985 63.546000 Cu 0.159567 0.817832 0.5 315 63.546 0.000384673 -3.53991 63.546000 Cu 0.208698 0.828033 1 317 63.546 8.42375e-05 -3.53991 63.546000 Cu 0.298829 0.825819 0 282 63.546 0.000397743 -3.53998 63.546000 Cu 0.249674 0.815632 0.5 284 63.546 0.000115928 -3.53995 63.546000 Cu 0.339871 0.813487 0.5 283 63.546 0.000437205 -3.53999 63.546000 Cu 0.3891 0.823752 1.24999e-16 285 63.546 0.000338947 -3.53998 63.546000 Cu 0.348073 0.836016 0.5 288 63.546 0.000742927 -3.53998 63.546000 Cu 0.430126 0.811496 0.5 250 63.546 0.000102129 -3.53997 63.546000 Cu 0.438379 0.834056 0.5 287 63.546 0.000183043 -3.53995 63.546000 Cu 0.479377 0.821828 2.50118e-16 248 63.546 8.0826e-05 -3.53992 63.546000 Cu 0.528577 0.832179 0.5 254 63.546 0.000218697 -3.53987 63.546000 Cu 0.569512 0.819894 3.59883e-19 251 63.546 0.000277667 -3.53987 63.546000 Cu 0.618651 0.8302 0.5 253 63.546 0.000615363 -3.53985 63.546000 Cu 0.659567 0.817832 1 379 63.546 0.000384673 -3.53991 63.546000 Cu 0.749674 0.815632 2.39922e-19 381 63.546 0.000115928 -3.53995 63.546000 Cu 0.708698 0.828033 0.5 384 63.546 8.42375e-05 -3.53991 63.546000 Cu 0.839871 0.813487 1 344 63.546 0.000437205 -3.53999 63.546000 Cu 0.798829 0.825819 0.5 383 63.546 0.000397743 -3.53998 63.546000 Cu 0.848073 0.836016 1.36276e-16 385 63.546 0.000742927 -3.53998 63.546000 Cu 0.930126 0.811496 0 347 63.546 0.000102129 -3.53997 63.546000 Cu 0.938379 0.834056 2.87186e-16 348 63.546 0.000183043 -3.53995 63.546000 Cu 0.979377 0.821828 0.5 349 63.546 8.0826e-05 -3.53992 63.546000 Cu 0.8891 0.823752 0.5 350 63.546 0.000338947 -3.53998 63.546000 Cu 0.0367985 0.854794 1 352 63.546 0.000453218 -3.53978 63.546000 Cu 0.0777396 0.842524 0.5 353 63.546 0.00064051 -3.53979 63.546000 Cu 0.167778 0.840439 0.5 320 63.546 0.000464927 -3.53985 63.546000 Cu 0.126866 0.852835 1.19961e-19 355 63.546 0.00114523 -3.53974 63.546000 Cu 0.175893 0.863068 0.5 357 63.546 0.000992955 -3.53967 63.546000 Cu 0.216864 0.850613 1 318 63.546 0.000276997 -3.53982 63.546000 Cu 0.257838 0.838191 0.5 319 63.546 0.000206736 -3.53993 63.546000 Cu 0.307018 0.848319 0 321 63.546 0.00108197 -3.53992 63.546000 Cu 0.265941 0.860711 0.5 324 63.546 0.000637145 -3.53977 63.546000 Cu 0.397326 0.846269 0 286 63.546 0.000650744 -3.53996 63.546000 Cu 0.356232 0.858503 0.5 323 63.546 0.0014951 -3.53989 63.546000 Cu 0.487609 0.844411 0 289 63.546 0.000118072 -3.53988 63.546000 Cu 0.536798 0.854794 0.5 291 63.546 0.000453218 -3.53978 63.546000 Cu 0.446568 0.856599 0.5 292 63.546 0.000312343 -3.5399 63.546000 Cu 0.57774 0.842524 1 252 63.546 0.00064051 -3.53979 63.546000 Cu 0.626866 0.852835 0.5 255 63.546 0.00114523 -3.53974 63.546000 Cu 0.757838 0.838191 1.75863e-16 382 63.546 0.000206736 -3.53993 63.546000 Cu 0.667778 0.840439 2.40162e-16 416 63.546 0.000464927 -3.53985 63.546000 Cu 0.675893 0.863068 1.13963e-16 417 63.546 0.000992955 -3.53967 63.546000 Cu 0.716864 0.850613 0.5 418 63.546 0.000276997 -3.53982 63.546000 Cu 0.765941 0.860711 3.50286e-17 419 63.546 0.000637145 -3.53977 63.546000 Cu 0.856232 0.858503 8.24131e-17 386 63.546 0.0014951 -3.53989 63.546000 Cu 0.807018 0.848319 0.5 388 63.546 0.00108197 -3.53992 63.546000 Cu 0.987609 0.844411 0.5 354 63.546 0.000118072 -3.53988 63.546000 Cu 0.897326 0.846269 0.5 387 63.546 0.000650744 -3.53996 63.546000 Cu 0.946568 0.856599 7.50955e-17 389 63.546 0.000312343 -3.5399 63.546000 Cu 0.0859201 0.865189 0.5 358 63.546 0.00152649 -3.53965 63.546000 Cu 0.0449671 0.877453 1 393 63.546 0.00106741 -3.53959 63.546000 Cu 0.00399063 0.88962 0.5 396 63.546 0.000601411 -3.53953 63.546000 Cu 0.0940806 0.88789 0.5 395 63.546 0.00305314 -3.53934 63.546000 Cu 0.134967 0.875516 7.77346e-17 356 63.546 0.00230489 -3.53949 63.546000 Cu 0.183932 0.885731 0.5 362 63.546 0.00236185 -3.53933 63.546000 Cu 0.224899 0.873203 0 359 63.546 0.000687567 -3.53957 63.546000 Cu 0.273889 0.883201 0.5 361 63.546 0.00231905 -3.53942 63.546000 Cu 0.315066 0.870797 0 322 63.546 0.00239551 -3.53975 63.546000 Cu 0.405465 0.868773 1 325 63.546 0.00118079 -3.53987 63.546000 Cu 0.413615 0.891245 2.10051e-16 326 63.546 0.00199031 -3.53959 63.546000 Cu 0.364278 0.880948 0.5 328 63.546 0.00345969 -3.53965 63.546000 Cu 0.495781 0.867008 5.44622e-17 290 63.546 0.000241092 -3.53978 63.546000 Cu 0.454724 0.879149 0.5 327 63.546 0.000472182 -3.53975 63.546000 Cu 0.503991 0.88962 2.54197e-16 329 63.546 0.000601411 -3.53953 63.546000 Cu 0.544967 0.877453 0.5 295 63.546 0.00106741 -3.53959 63.546000 Cu 0.58592 0.865189 0 293 63.546 0.00152649 -3.53965 63.546000 Cu 0.594081 0.88789 8.48123e-17 294 63.546 0.00305314 -3.53934 63.546000 Cu 0.634967 0.875516 0.5 446 63.546 0.00230489 -3.53949 63.546000 Cu 0.724899 0.873203 0.5 422 63.546 0.000687567 -3.53957 63.546000 Cu 0.683932 0.885731 1 447 63.546 0.00236185 -3.53933 63.546000 Cu 0.773889 0.883201 1.19961e-19 420 63.546 0.00231905 -3.53942 63.546000 Cu 0.815066 0.870797 0.5 421 63.546 0.00239551 -3.53975 63.546000 Cu 0.864278 0.880948 1.20441e-16 423 63.546 0.00345969 -3.53965 63.546000 Cu 0.995781 0.867008 0.5 391 63.546 0.000241092 -3.53978 63.546000 Cu 0.954724 0.879149 0 390 63.546 0.000472182 -3.53975 63.546000 Cu 0.905465 0.868773 0.5 392 63.546 0.00118079 -3.53987 63.546000 Cu 0.913615 0.891245 0.5 425 63.546 0.00199031 -3.53959 63.546000 Cu 0.0532347 0.900136 1.03166e-17 394 63.546 0.0022693 -3.53915 63.546000 Cu 0.0123639 0.912239 0.5 429 63.546 0.0012644 -3.53898 63.546000 Cu 0.10239 0.910657 0.5 400 63.546 0.00647002 -3.53857 63.546000 Cu 0.143097 0.898251 1 397 63.546 0.00526417 -3.53897 63.546000 Cu 0.192066 0.908443 0.5 399 63.546 0.0059527 -3.53864 63.546000 Cu 0.232856 0.895805 1 360 63.546 0.00231124 -3.53908 63.546000 Cu 0.28192 0.905623 0.5 366 63.546 0.00802901 -3.53848 63.546000 Cu 0.240937 0.918429 1 401 63.546 0.00752859 -3.53756 63.546000 Cu 0.323079 0.893207 1 363 63.546 0.00643183 -3.53926 63.546000 Cu 0.331199 0.915505 1 364 63.546 0.0182842 -3.53809 63.546000 Cu 0.372445 0.903321 0.5 365 63.546 0.00722696 -3.53913 63.546000 Cu 0.42191 0.91366 5.63816e-18 367 63.546 0.00343718 -3.53898 63.546000 Cu 0.512364 0.912239 1 330 63.546 0.0012644 -3.53898 63.546000 Cu 0.462986 0.901674 0.5 332 63.546 0.00083969 -3.53939 63.546000 Cu 0.553235 0.900136 0.5 331 63.546 0.0022693 -3.53915 63.546000 Cu 0.60239 0.910657 1.50071e-16 333 63.546 0.00647002 -3.53857 63.546000 Cu 0.643097 0.898251 0.5 450 63.546 0.00526417 -3.53897 63.546000 Cu 0.692066 0.908443 1 448 63.546 0.0059527 -3.53864 63.546000 Cu 0.732856 0.895805 0.5 449 63.546 0.00231124 -3.53908 63.546000 Cu 0.740937 0.918429 0.5 454 63.546 0.00752859 -3.53756 63.546000 Cu 0.823079 0.893207 0.5 426 63.546 0.00643183 -3.53926 63.546000 Cu 0.78192 0.905623 3.13098e-17 451 63.546 0.00802901 -3.53848 63.546000 Cu 0.831199 0.915505 0.5 453 63.546 0.0182842 -3.53809 63.546000 Cu 0.872445 0.903321 1 424 63.546 0.00722696 -3.53913 63.546000 Cu 0.962986 0.901674 1.87259e-16 427 63.546 0.00083969 -3.53939 63.546000 Cu 0.92191 0.91366 0.5 430 63.546 0.00343718 -3.53898 63.546000 Cu 0.0616838 0.922887 1 431 63.546 0.00494666 -3.53821 63.546000 Cu 0.0702371 0.945715 1 432 63.546 0.00860534 -3.53645 63.546000 Cu 0.0209285 0.93489 0.5 434 63.546 0.0024743 -3.53793 63.546000 Cu 0.110888 0.933536 0.5 433 63.546 0.0145478 -3.53713 63.546000 Cu 0.151412 0.921073 1 398 63.546 0.0116165 -3.53769 63.546000 Cu 0.200266 0.931238 0.5 404 63.546 0.0153509 -3.53657 63.546000 Cu 0.159749 0.944065 1 435 63.546 0.0280042 -3.53517 63.546000 Cu 0.248852 0.941137 0 402 63.546 0.0321695 -3.532 63.546000 Cu 0.289924 0.92794 0.5 403 63.546 0.0301347 -3.53515 63.546000 Cu 0.380688 0.925613 0.5 370 63.546 0.0135289 -3.53796 63.546000 Cu 0.339299 0.937679 1.79581e-16 405 63.546 0.0482484 -3.53521 63.546000 Cu 0.430308 0.936023 1 368 63.546 0.00569808 -3.53778 63.546000 Cu 0.471425 0.924195 0.5 369 63.546 0.00146517 -3.53863 63.546000 Cu 0.520929 0.93489 1 371 63.546 0.0024743 -3.53793 63.546000 Cu 0.610888 0.933536 1 334 63.546 0.0145478 -3.53713 63.546000 Cu 0.561684 0.922887 0.5 335 63.546 0.00494666 -3.53821 63.546000 Cu 0.570237 0.945715 0.5 373 63.546 0.00860534 -3.53645 63.546000 Cu 0.651412 0.921073 0.5 470 63.546 0.0116165 -3.53769 63.546000 Cu 0.659749 0.944065 0.5 474 63.546 0.0280042 -3.53517 63.546000 Cu 0.700266 0.931238 1 471 63.546 0.0153509 -3.53657 63.546000 Cu 0.748852 0.941137 0.5 473 63.546 0.0321695 -3.532 63.546000 Cu 0.789924 0.92794 1 452 63.546 0.0301347 -3.53515 63.546000 Cu 0.839299 0.937679 0.5 458 63.546 0.0482484 -3.53521 63.546000 Cu 0.880688 0.925613 9.35695e-18 455 63.546 0.0135289 -3.53796 63.546000 Cu 0.971425 0.924195 0 428 63.546 0.00146517 -3.53863 63.546000 Cu 0.930308 0.936023 0.5 457 63.546 0.00569808 -3.53778 63.546000 Cu 0.0294952 0.957601 0.5 461 63.546 0.00592086 -3.53636 63.546000 Cu 0.0787384 0.968697 1 463 63.546 0.0233788 -3.53346 63.546000 Cu 0.167717 0.967243 0 436 63.546 0.0628977 -3.522 63.546000 Cu 0.119345 0.956545 0.5 438 63.546 0.0269338 -3.53321 63.546000 Cu 0.208414 0.954237 0.5 437 63.546 0.0502357 -3.53208 63.546000 Cu 0.29774 0.950045 0.5 408 63.546 0.138117 -3.52265 63.546000 Cu 0.256223 0.964089 1.28358e-16 439 63.546 0.168544 -3.51716 63.546000 Cu 0.305483 0.971756 0.5 441 63.546 0.543396 -3.48691 63.546000 Cu 0.347329 0.959657 1.09764e-16 406 63.546 0.13444 -3.52742 63.546000 Cu 0.38899 0.947785 0.5 407 63.546 0.0234985 -3.53567 63.546000 Cu 0.397385 0.969842 0.5 412 63.546 0.0351602 -3.53253 63.546000 Cu 0.438734 0.958332 1.01607e-16 409 63.546 0.00841503 -3.5357 63.546000 Cu 0.529495 0.957601 1.37115e-16 372 63.546 0.00592086 -3.53636 63.546000 Cu 0.479972 0.946705 0.5 374 63.546 0.0028217 -3.53728 63.546000 Cu 0.488252 0.969209 0.5 411 63.546 0.00619293 -3.53613 63.546000 Cu 0.619345 0.956545 1.76582e-16 375 63.546 0.0269338 -3.53321 63.546000 Cu 0.578738 0.968697 0.5 377 63.546 0.0233788 -3.53346 63.546000 Cu 0.708414 0.954237 4.48654e-17 472 63.546 0.0502357 -3.53208 63.546000 Cu 0.756223 0.964089 0.5 478 63.546 0.168544 -3.51716 63.546000 Cu 0.667717 0.967243 0.5 484 63.546 0.0628977 -3.522 63.546000 Cu 0.79774 0.950045 1.16962e-16 475 63.546 0.138117 -3.52265 63.546000 Cu 0.847329 0.959657 0.5 477 63.546 0.13444 -3.52742 63.546000 Cu 0.805483 0.971756 9.54888e-17 476 63.546 0.543396 -3.48691 63.546000 Cu 0.988252 0.969209 1 460 63.546 0.00619293 -3.53613 63.546000 Cu 0.88899 0.947785 1 456 63.546 0.0234985 -3.53567 63.546000 Cu 0.979972 0.946705 1 459 63.546 0.0028217 -3.53728 63.546000 Cu 0.938734 0.958332 0.5 462 63.546 0.00841503 -3.5357 63.546000 Cu 0.897385 0.969842 1 479 63.546 0.0351602 -3.53253 63.546000 Cu 0.0857356 0.991614 1.89298e-16 464 63.546 0.0456811 -3.53536 63.546000 Cu 0.0373916 0.98034 0.5 466 63.546 0.0163311 -3.53657 63.546000 Cu 0.128328 0.979952 0.5 465 63.546 0.121981 -3.52704 63.546000 Cu 0.176979 0.991448 5.80611e-17 467 63.546 0.528108 -3.49294 63.546000 Cu 0.216326 0.977461 0.5 442 63.546 0.253126 -3.49399 63.546000 Cu 0.262566 0.986962 6.01004e-17 440 63.546 5.73179 -3.35567 63.546000 Cu 0.313136 0.992804 0.5 445 63.546 7.1781 -3.39864 63.546000 Cu 0.355546 0.981379 0 443 63.546 0.33632 -3.5114 63.546000 Cu 0.404155 0.991909 0.5 444 63.546 0.0709708 -3.53268 63.546000 Cu 0.446547 0.980639 1 410 63.546 0.0246655 -3.53533 63.546000 Cu 0.537392 0.98034 1 413 63.546 0.0163311 -3.53657 63.546000 Cu 0.494664 0.991789 0.5 415 63.546 0.0437761 -3.53796 63.546000 Cu 0.628328 0.979952 1.67225e-16 376 63.546 0.121981 -3.52704 63.546000 Cu 0.585736 0.991614 0.5 414 63.546 0.0456811 -3.53536 63.546000 Cu 0.716326 0.977461 2.39922e-19 485 63.546 0.253126 -3.49399 63.546000 Cu 0.676979 0.991448 0.5 488 63.546 0.528108 -3.49294 63.546000 Cu 0.762566 0.986962 0.5 487 63.546 5.73179 -3.35567 63.546000 Cu 0.855546 0.981379 0.5 482 63.546 0.33632 -3.5114 63.546000 Cu 0.813136 0.992804 1.94577e-16 489 63.546 7.1781 -3.39864 63.546000 Cu 0.994664 0.991789 1 483 63.546 0.0437761 -3.53796 63.546000 Cu 0.904155 0.991909 6.26196e-17 480 63.546 0.0709708 -3.53268 63.546000 Cu 0.946547 0.980639 0.5 481 63.546 0.0246655 -3.53533