Number of particles = 972 A = 1 Angstrom (basic length-scale) H0(1,1) = 28.2044 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 112.891 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61014 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 0.0374564 0.0258272 1.22471e-16 498 63.546 0.0144221 -3.53505 63.546000 Cu 0.0424368 0.00308441 8.90152e-17 501 63.546 0.0971254 -3.5369 63.546000 Cu 0.134587 0.00306925 1 502 63.546 0.21441 -3.5214 63.546000 Cu 0.0863253 0.0145181 0.5 503 63.546 0.0555533 -3.53381 63.546000 Cu 0.128028 0.0262436 1.22711e-16 515 63.546 0.0950643 -3.52502 63.546000 Cu 0.215989 0.0286695 4.5769e-17 516 63.546 0.272258 -3.48558 63.546000 Cu 0.177542 0.0147604 0.5 517 63.546 0.551447 -3.48832 63.546000 Cu 0.230195 0.00298403 3.9282e-17 519 63.546 5.2463 -3.3775 63.546000 Cu 0.263303 0.0196196 0.5 521 63.546 5.50245 -3.36675 63.546000 Cu 0.304968 0.0342892 1.22351e-16 541 63.546 0.413318 -3.491 63.546000 Cu 0.314637 0.0132506 1 520 63.546 7.14734 -3.37646 63.546000 Cu 0.361972 0.00304156 0.5 522 63.546 3.8055 -3.44933 63.546000 Cu 0.355463 0.0247091 0.5 543 63.546 0.264386 -3.51482 63.546000 Cu 0.404942 0.0142066 3.67773e-16 545 63.546 0.0849748 -3.53217 63.546000 Cu 0.446736 0.0254994 0.5 548 63.546 0.022905 -3.53422 63.546000 Cu 0.49536 0.0143657 6.64311e-17 546 63.546 0.0507269 -3.53719 63.546000 Cu 0.451224 0.00306968 0.5 547 63.546 0.072214 -3.53721 63.546000 Cu 0.542437 0.00308441 0.5 549 63.546 0.0971254 -3.5369 63.546000 Cu 0.537456 0.0258272 0.5 577 63.546 0.0144221 -3.53505 63.546000 Cu 0.586325 0.0145181 1 579 63.546 0.0555533 -3.53381 63.546000 Cu 0.677542 0.0147604 1 580 63.546 0.551447 -3.48832 63.546000 Cu 0.634587 0.00306925 0.5 581 63.546 0.21441 -3.5214 63.546000 Cu 0.628028 0.0262436 0.5 582 63.546 0.0950643 -3.52502 63.546000 Cu 0.730195 0.00298403 0.5 583 63.546 5.2463 -3.3775 63.546000 Cu 0.715989 0.0286695 0.5 619 63.546 0.272258 -3.48558 63.546000 Cu 0.763303 0.0196196 9.26791e-17 621 63.546 5.50245 -3.36675 63.546000 Cu 0.855463 0.0247091 1 622 63.546 0.264386 -3.51482 63.546000 Cu 0.814637 0.0132506 0.5 623 63.546 7.14734 -3.37646 63.546000 Cu 0.804968 0.0342892 0.5 624 63.546 0.413318 -3.491 63.546000 Cu 0.861972 0.00304156 4.5769e-17 491 63.546 3.8055 -3.44933 63.546000 Cu 0.951224 0.00306968 1.22651e-16 492 63.546 0.072214 -3.53721 63.546000 Cu 0.904942 0.0142066 0.5 493 63.546 0.0849748 -3.53217 63.546000 Cu 0.946736 0.0254994 4.5769e-17 497 63.546 0.022905 -3.53422 63.546000 Cu 0.99536 0.0143657 0.5 499 63.546 0.0507269 -3.53719 63.546000 Cu 0.0289555 0.0485714 1 511 63.546 0.00479327 -3.5357 63.546000 Cu 0.118824 0.0496401 4.5769e-17 512 63.546 0.0286772 -3.53285 63.546000 Cu 0.0784653 0.0374988 0.5 513 63.546 0.018906 -3.5326 63.546000 Cu 0.0695804 0.0604685 0.5 514 63.546 0.00916892 -3.53636 63.546000 Cu 0.0201833 0.0712654 1.51122e-16 508 63.546 0.00258131 -3.53794 63.546000 Cu 0.159068 0.0621683 0.5 535 63.546 0.0273584 -3.53504 63.546000 Cu 0.167543 0.0389202 0.5 518 63.546 0.0751954 -3.52228 63.546000 Cu 0.207735 0.0520065 1 537 63.546 0.0448904 -3.5313 63.546000 Cu 0.255776 0.0423508 0.5 539 63.546 0.0821213 -3.52031 63.546000 Cu 0.248174 0.06515 0.5 540 63.546 0.0176856 -3.5336 63.546000 Cu 0.397022 0.036239 2.68607e-16 542 63.546 0.0297086 -3.53223 63.546000 Cu 0.297127 0.0560471 0 538 63.546 0.096925 -3.52544 63.546000 Cu 0.346752 0.0464269 0.5 544 63.546 0.10538 -3.52917 63.546000 Cu 0.338634 0.0684223 0.5 569 63.546 0.0387106 -3.53575 63.546000 Cu 0.388301 0.0583033 1 571 63.546 0.0203829 -3.53608 63.546000 Cu 0.438213 0.0477984 0.5 573 63.546 0.00839536 -3.53546 63.546000 Cu 0.429609 0.0701033 0.5 574 63.546 0.00541226 -3.53788 63.546000 Cu 0.479273 0.0594458 5.02137e-17 572 63.546 0.0025694 -3.53707 63.546000 Cu 0.488049 0.0369405 1.67699e-16 575 63.546 0.00546167 -3.53513 63.546000 Cu 0.528955 0.0485714 0.5 578 63.546 0.00479327 -3.5357 63.546000 Cu 0.56958 0.0604685 2.45242e-16 613 63.546 0.00916892 -3.53636 63.546000 Cu 0.520183 0.0712654 0.5 611 63.546 0.00258131 -3.53794 63.546000 Cu 0.578465 0.0374988 2.43921e-16 576 63.546 0.018906 -3.5326 63.546000 Cu 0.659068 0.0621683 1.22591e-16 614 63.546 0.0273584 -3.53504 63.546000 Cu 0.618824 0.0496401 0.5 615 63.546 0.0286772 -3.53285 63.546000 Cu 0.667543 0.0389202 0 617 63.546 0.0751954 -3.52228 63.546000 Cu 0.707735 0.0520065 0.5 620 63.546 0.0448904 -3.5313 63.546000 Cu 0.755776 0.0423508 1.22771e-16 618 63.546 0.0821213 -3.52031 63.546000 Cu 0.748174 0.06515 0 661 63.546 0.0176856 -3.5336 63.546000 Cu 0.838634 0.0684223 1.20128e-19 662 63.546 0.0387106 -3.53575 63.546000 Cu 0.797127 0.0560471 0.5 663 63.546 0.096925 -3.52544 63.546000 Cu 0.846752 0.0464269 1 665 63.546 0.10538 -3.52917 63.546000 Cu 0.897022 0.036239 0.5 495 63.546 0.0297086 -3.53223 63.546000 Cu 0.938213 0.0477984 4.5769e-17 494 63.546 0.00839536 -3.53546 63.546000 Cu 0.888301 0.0583033 0.5 496 63.546 0.0203829 -3.53608 63.546000 Cu 0.988049 0.0369405 0.5 500 63.546 0.00546167 -3.53513 63.546000 Cu 0.929609 0.0701033 2.45242e-16 507 63.546 0.00541226 -3.53788 63.546000 Cu 0.979273 0.0594458 0.5 509 63.546 0.0025694 -3.53707 63.546000 Cu 0.101764 0.0955399 1 530 63.546 0.00602967 -3.5388 63.546000 Cu 0.0609813 0.0832941 0.5 531 63.546 0.00480245 -3.53844 63.546000 Cu 0.0525983 0.106028 0.5 532 63.546 0.0025691 -3.53928 63.546000 Cu 0.110144 0.0726721 4.5769e-17 533 63.546 0.013279 -3.53726 63.546000 Cu 0.0116961 0.09392 1 529 63.546 0.00126734 -3.53908 63.546000 Cu 0.150734 0.0851371 0.5 536 63.546 0.0112136 -3.53796 63.546000 Cu 0.199557 0.0749837 4.64897e-17 534 63.546 0.0131854 -3.53687 63.546000 Cu 0.191425 0.0977682 1 563 63.546 0.00497383 -3.53876 63.546000 Cu 0.281298 0.100522 1.04031e-16 564 63.546 0.00581527 -3.53864 63.546000 Cu 0.240264 0.0877996 0.5 565 63.546 0.00427566 -3.5379 63.546000 Cu 0.289253 0.0781765 1.6788e-16 567 63.546 0.0202693 -3.53583 63.546000 Cu 0.38003 0.0805079 2.1515e-16 568 63.546 0.0126672 -3.53813 63.546000 Cu 0.330535 0.0906245 0.5 570 63.546 0.0156443 -3.53824 63.546000 Cu 0.371803 0.102806 4.21711e-16 605 63.546 0.00647074 -3.53915 63.546000 Cu 0.42122 0.09247 0.5 607 63.546 0.00294246 -3.53899 63.546000 Cu 0.462316 0.104463 1.48359e-16 606 63.546 0.000595674 -3.53939 63.546000 Cu 0.470728 0.0819548 4.5769e-17 609 63.546 0.00146291 -3.53869 63.546000 Cu 0.560981 0.0832941 4.5769e-17 610 63.546 0.00480245 -3.53844 63.546000 Cu 0.511696 0.09392 0.5 612 63.546 0.00126734 -3.53908 63.546000 Cu 0.552598 0.106028 5.06942e-17 653 63.546 0.0025691 -3.53928 63.546000 Cu 0.610144 0.0726721 0.5 616 63.546 0.013279 -3.53726 63.546000 Cu 0.601764 0.0955399 0.5 655 63.546 0.00602967 -3.5388 63.546000 Cu 0.650734 0.0851371 4.5769e-17 657 63.546 0.0112136 -3.53796 63.546000 Cu 0.699557 0.0749837 0.5 659 63.546 0.0131854 -3.53687 63.546000 Cu 0.691425 0.0977682 0.5 660 63.546 0.00497383 -3.53876 63.546000 Cu 0.740264 0.0877996 4.5769e-17 658 63.546 0.00427566 -3.5379 63.546000 Cu 0.789253 0.0781765 0.5 664 63.546 0.0202693 -3.53583 63.546000 Cu 0.781298 0.100522 0.5 703 63.546 0.00581527 -3.53864 63.546000 Cu 0.830535 0.0906245 1.85599e-16 705 63.546 0.0156443 -3.53824 63.546000 Cu 0.871803 0.102806 0.5 506 63.546 0.00647074 -3.53915 63.546000 Cu 0.92122 0.09247 4.96731e-17 504 63.546 0.00294246 -3.53899 63.546000 Cu 0.88003 0.0805079 0.5 505 63.546 0.0126672 -3.53813 63.546000 Cu 0.970728 0.0819548 0.5 510 63.546 0.00146291 -3.53869 63.546000 Cu 0.962316 0.104463 0.5 527 63.546 0.000595674 -3.53939 63.546000 Cu 0.0848931 0.140976 1 556 63.546 0.00118411 -3.53971 63.546000 Cu 0.0441501 0.128705 0.5 557 63.546 0.000905096 -3.53962 63.546000 Cu 0.0933962 0.118297 6.00642e-20 559 63.546 0.00254843 -3.53945 63.546000 Cu 0.142485 0.107959 0.5 561 63.546 0.00431917 -3.53916 63.546000 Cu 0.134093 0.130668 0.5 562 63.546 0.00198292 -3.53964 63.546000 Cu 0.00331982 0.116519 4.5769e-17 526 63.546 0.000912911 -3.53956 63.546000 Cu 0.183229 0.120467 1.20128e-19 560 63.546 0.00194848 -3.53953 63.546000 Cu 0.232269 0.110403 0.5 566 63.546 0.00131042 -3.53922 63.546000 Cu 0.223995 0.132977 0.5 599 63.546 0.000508617 -3.53975 63.546000 Cu 0.273208 0.122964 1 601 63.546 0.00196952 -3.53957 63.546000 Cu 0.363524 0.125186 2.45362e-16 602 63.546 0.00333849 -3.53961 63.546000 Cu 0.322453 0.112935 0.5 603 63.546 0.00543136 -3.53928 63.546000 Cu 0.314134 0.135344 0.5 604 63.546 0.00227173 -3.53977 63.546000 Cu 0.412943 0.114892 0.5 608 63.546 0.00191601 -3.5395 63.546000 Cu 0.404517 0.137341 0.5 647 63.546 0.000968328 -3.53972 63.546000 Cu 0.453945 0.126962 1 649 63.546 0.000366954 -3.53964 63.546000 Cu 0.54415 0.128705 1.04031e-16 650 63.546 0.000905096 -3.53962 63.546000 Cu 0.50332 0.116519 0.5 651 63.546 0.000912911 -3.53956 63.546000 Cu 0.494838 0.139112 0.5 652 63.546 0.000377995 -3.53974 63.546000 Cu 0.584893 0.140976 0.5 695 63.546 0.00118411 -3.53971 63.546000 Cu 0.642485 0.107959 1 654 63.546 0.00431917 -3.53916 63.546000 Cu 0.593396 0.118297 0.5 656 63.546 0.00254843 -3.53945 63.546000 Cu 0.634093 0.130668 1 697 63.546 0.00198292 -3.53964 63.546000 Cu 0.683229 0.120467 0.5 699 63.546 0.00194848 -3.53953 63.546000 Cu 0.723995 0.132977 1.17305e-16 698 63.546 0.000508617 -3.53975 63.546000 Cu 0.732269 0.110403 1 701 63.546 0.00131042 -3.53922 63.546000 Cu 0.822453 0.112935 1.22531e-16 702 63.546 0.00543136 -3.53928 63.546000 Cu 0.773208 0.122964 0.5 704 63.546 0.00196952 -3.53957 63.546000 Cu 0.814134 0.135344 1 745 63.546 0.00227173 -3.53977 63.546000 Cu 0.863524 0.125186 0.5 524 63.546 0.00333849 -3.53961 63.546000 Cu 0.904517 0.137341 1 523 63.546 0.000968328 -3.53972 63.546000 Cu 0.912943 0.114892 6.84132e-17 525 63.546 0.00191601 -3.5395 63.546000 Cu 0.953945 0.126962 0.5 528 63.546 0.000366954 -3.53964 63.546000 Cu 0.994838 0.139112 0 555 63.546 0.000377995 -3.53974 63.546000 Cu 0.0356209 0.151339 0.5 558 63.546 0.000366739 -3.53979 63.546000 Cu 0.02719 0.173953 0.5 591 63.546 0.00016309 -3.53989 63.546000 Cu 0.0764307 0.163623 1.70522e-16 593 63.546 0.000574575 -3.53984 63.546000 Cu 0.125662 0.153329 0.5 595 63.546 0.000938141 -3.5398 63.546000 Cu 0.117242 0.175964 0.5 596 63.546 0.000446527 -3.53988 63.546000 Cu 0.166429 0.16573 4.5769e-17 594 63.546 0.000322427 -3.53988 63.546000 Cu 0.174846 0.143107 1 597 63.546 0.00075523 -3.53979 63.546000 Cu 0.264821 0.145443 1.22531e-16 598 63.546 0.00073408 -3.53986 63.546000 Cu 0.215626 0.155557 0.5 600 63.546 0.000185597 -3.53988 63.546000 Cu 0.207269 0.178137 0.5 639 63.546 0.000136426 -3.53994 63.546000 Cu 0.256503 0.167964 3.67833e-16 641 63.546 0.000300672 -3.53995 63.546000 Cu 0.305762 0.157812 0.5 643 63.546 0.00109247 -3.53991 63.546000 Cu 0.346737 0.170086 4.5769e-17 642 63.546 0.000477247 -3.53994 63.546000 Cu 0.355084 0.147613 1 645 63.546 0.00137227 -3.53982 63.546000 Cu 0.396047 0.159823 0.5 648 63.546 0.00039089 -3.53989 63.546000 Cu 0.44543 0.149489 2.45302e-16 646 63.546 0.000193141 -3.53981 63.546000 Cu 0.437029 0.172033 1 689 63.546 9.23033e-05 -3.53993 63.546000 Cu 0.52719 0.173953 4.5769e-17 690 63.546 0.00016309 -3.53989 63.546000 Cu 0.486306 0.1617 0.5 691 63.546 0.000128788 -3.53988 63.546000 Cu 0.535621 0.151339 4.5769e-17 693 63.546 0.000366739 -3.53979 63.546000 Cu 0.576431 0.163623 0.5 696 63.546 0.000574575 -3.53984 63.546000 Cu 0.625662 0.153329 1 694 63.546 0.000938141 -3.5398 63.546000 Cu 0.674846 0.143107 0.5 700 63.546 0.00075523 -3.53979 63.546000 Cu 0.617242 0.175964 1 737 63.546 0.000446527 -3.53988 63.546000 Cu 0.707269 0.178137 1.22771e-16 738 63.546 0.000136426 -3.53994 63.546000 Cu 0.666429 0.16573 0.5 739 63.546 0.000322427 -3.53988 63.546000 Cu 0.715626 0.155557 1 741 63.546 0.000185597 -3.53988 63.546000 Cu 0.805762 0.157812 4.5769e-17 742 63.546 0.00109247 -3.53991 63.546000 Cu 0.764821 0.145443 0.5 743 63.546 0.00073408 -3.53986 63.546000 Cu 0.756503 0.167964 0.5 744 63.546 0.000300672 -3.53995 63.546000 Cu 0.855084 0.147613 0.5 746 63.546 0.00137227 -3.53982 63.546000 Cu 0.846737 0.170086 0.5 786 63.546 0.000477247 -3.53994 63.546000 Cu 0.896047 0.159823 1.22711e-16 551 63.546 0.00039089 -3.53989 63.546000 Cu 0.986306 0.1617 1.22591e-16 552 63.546 0.000128788 -3.53988 63.546000 Cu 0.94543 0.149489 0.5 553 63.546 0.000193141 -3.53981 63.546000 Cu 0.937029 0.172033 0.5 554 63.546 9.23033e-05 -3.53993 63.546000 Cu 0.0680638 0.186242 4.5769e-17 590 63.546 0.000313091 -3.5399 63.546000 Cu 0.059626 0.208852 1 633 63.546 0.000143812 -3.5399 63.546000 Cu 0.10891 0.198579 0.5 635 63.546 0.000208743 -3.53991 63.546000 Cu 0.0188064 0.196542 0.5 592 63.546 0.000150637 -3.53993 63.546000 Cu 0.149671 0.210934 4.5769e-17 634 63.546 6.48416e-05 -3.53994 63.546000 Cu 0.158119 0.188343 1 637 63.546 9.7933e-05 -3.53992 63.546000 Cu 0.248217 0.190497 9.30395e-17 638 63.546 0.00010294 -3.53998 63.546000 Cu 0.19898 0.200705 0.5 640 63.546 7.99446e-05 -3.53998 63.546000 Cu 0.239778 0.213053 1 681 63.546 4.81279e-05 -3.53999 63.546000 Cu 0.29744 0.180309 0.5 644 63.546 0.000449016 -3.53996 63.546000 Cu 0.289087 0.202838 0.5 683 63.546 0.000253657 -3.53999 63.546000 Cu 0.33839 0.192593 1 685 63.546 0.000185276 -3.53997 63.546000 Cu 0.38773 0.182331 0.5 687 63.546 0.000159714 -3.53995 63.546000 Cu 0.379283 0.204861 0.5 688 63.546 3.48213e-05 -3.53997 63.546000 Cu 0.428616 0.194582 0 686 63.546 3.81779e-05 -3.53995 63.546000 Cu 0.477926 0.184275 0.5 692 63.546 3.84591e-05 -3.53993 63.546000 Cu 0.469497 0.206841 0.5 731 63.546 8.73816e-05 -3.53995 63.546000 Cu 0.518806 0.196542 4.5769e-17 733 63.546 0.000150637 -3.53993 63.546000 Cu 0.568064 0.186242 0.5 735 63.546 0.000313091 -3.5399 63.546000 Cu 0.559626 0.208852 0.5 736 63.546 0.000143812 -3.5399 63.546000 Cu 0.60891 0.198579 2.66085e-17 734 63.546 0.000208743 -3.53991 63.546000 Cu 0.658119 0.188343 0.5 740 63.546 9.7933e-05 -3.53992 63.546000 Cu 0.649671 0.210934 0.5 779 63.546 6.48416e-05 -3.53994 63.546000 Cu 0.69898 0.200705 1 781 63.546 7.99446e-05 -3.53998 63.546000 Cu 0.789087 0.202838 1 782 63.546 0.000253657 -3.53999 63.546000 Cu 0.748217 0.190497 0.5 783 63.546 0.00010294 -3.53998 63.546000 Cu 0.739778 0.213053 0.5 784 63.546 4.81279e-05 -3.53999 63.546000 Cu 0.79744 0.180309 1 785 63.546 0.000449016 -3.53996 63.546000 Cu 0.83839 0.192593 0.5 787 63.546 0.000185276 -3.53997 63.546000 Cu 0.88773 0.182331 8.01257e-17 550 63.546 0.000159714 -3.53995 63.546000 Cu 0.879283 0.204861 1.37607e-16 585 63.546 3.48213e-05 -3.53997 63.546000 Cu 0.969497 0.206841 4.5769e-17 586 63.546 8.73816e-05 -3.53995 63.546000 Cu 0.928616 0.194582 0.5 587 63.546 3.81779e-05 -3.53995 63.546000 Cu 0.977926 0.184275 1.22591e-16 589 63.546 3.84591e-05 -3.53993 63.546000 Cu 0.0509975 0.231465 4.5769e-17 630 63.546 4.9748e-05 -3.53991 63.546000 Cu 0.10034 0.22119 0.5 636 63.546 2.8671e-05 -3.53992 63.546000 Cu 0.0917963 0.243784 0.5 675 63.546 5.16964e-05 -3.53996 63.546000 Cu 0.141092 0.233528 4.5769e-17 677 63.546 6.57504e-05 -3.53996 63.546000 Cu 0.0102937 0.21914 0.5 631 63.546 7.59846e-05 -3.53992 63.546000 Cu 0.00169701 0.241731 0.5 632 63.546 4.61731e-05 -3.53994 63.546000 Cu 0.231258 0.235609 2.73893e-17 678 63.546 2.75583e-05 -3.53999 63.546000 Cu 0.190448 0.223268 0.5 679 63.546 7.15789e-05 -3.53998 63.546000 Cu 0.181946 0.245844 0.5 680 63.546 3.41762e-05 -3.53998 63.546000 Cu 0.280604 0.225377 0.5 684 63.546 0.000111457 -3.53998 63.546000 Cu 0.272113 0.247927 0.5 723 63.546 6.89384e-05 -3.53999 63.546000 Cu 0.329957 0.215131 1.22471e-16 682 63.546 9.75221e-05 -3.53998 63.546000 Cu 0.321438 0.237667 2.07282e-16 725 63.546 2.80588e-05 -3.53998 63.546000 Cu 0.411584 0.239696 1.22471e-16 726 63.546 3.42671e-05 -3.53996 63.546000 Cu 0.370794 0.227409 0.5 727 63.546 2.23411e-05 -3.53996 63.546000 Cu 0.420148 0.217137 1 729 63.546 3.14335e-05 -3.53996 63.546000 Cu 0.362271 0.249969 0.5 728 63.546 7.02206e-05 -3.53997 63.546000 Cu 0.510294 0.21914 1 730 63.546 7.59846e-05 -3.53992 63.546000 Cu 0.460948 0.229417 0.5 732 63.546 6.66504e-05 -3.53993 63.546000 Cu 0.501697 0.241731 1 773 63.546 4.61731e-05 -3.53994 63.546000 Cu 0.550997 0.231465 0.5 775 63.546 4.9748e-05 -3.53991 63.546000 Cu 0.591796 0.243784 1 774 63.546 5.16964e-05 -3.53996 63.546000 Cu 0.60034 0.22119 1 777 63.546 2.8671e-05 -3.53992 63.546000 Cu 0.690448 0.223268 1 778 63.546 7.15789e-05 -3.53998 63.546000 Cu 0.641092 0.233528 0.5 780 63.546 6.57504e-05 -3.53996 63.546000 Cu 0.681946 0.245844 2.45362e-16 821 63.546 3.41762e-05 -3.53998 63.546000 Cu 0.731258 0.235609 0.5 823 63.546 2.75583e-05 -3.53999 63.546000 Cu 0.772113 0.247927 4.5769e-17 822 63.546 6.89384e-05 -3.53999 63.546000 Cu 0.780604 0.225377 2.02296e-16 825 63.546 0.000111457 -3.53998 63.546000 Cu 0.829957 0.215131 0.5 826 63.546 9.75221e-05 -3.53998 63.546000 Cu 0.821438 0.237667 0.5 827 63.546 2.80588e-05 -3.53998 63.546000 Cu 0.870794 0.227409 1.22831e-16 584 63.546 2.23411e-05 -3.53996 63.546000 Cu 0.920148 0.217137 0.5 588 63.546 3.14335e-05 -3.53996 63.546000 Cu 0.911584 0.239696 0.5 627 63.546 3.42671e-05 -3.53996 63.546000 Cu 0.960948 0.229417 1.20909e-16 629 63.546 6.66504e-05 -3.53993 63.546000 Cu 0.862271 0.249969 4.5769e-17 625 63.546 7.02206e-05 -3.53997 63.546000 Cu 0.0342193 0.276643 1 670 63.546 0.000171556 -3.53997 63.546000 Cu 0.0425224 0.254055 1.22411e-16 673 63.546 5.67723e-05 -3.53996 63.546000 Cu 0.132662 0.256098 1 674 63.546 4.66405e-05 -3.53998 63.546000 Cu 0.083448 0.266358 0.5 676 63.546 4.75527e-05 -3.53997 63.546000 Cu 0.124414 0.278663 6.48694e-18 717 63.546 0.000137088 -3.53999 63.546000 Cu 0.214607 0.280722 4.5769e-17 718 63.546 9.52982e-05 -3.53999 63.546000 Cu 0.17358 0.26841 0.5 719 63.546 9.69372e-05 -3.53998 63.546000 Cu 0.222799 0.258164 1 721 63.546 0.00010124 -3.53999 63.546000 Cu 0.263774 0.270484 0.5 724 63.546 9.59758e-05 -3.53999 63.546000 Cu 0.304816 0.282792 5.47786e-17 765 63.546 0.000118226 -3.53998 63.546000 Cu 0.313006 0.260222 1 722 63.546 8.87912e-05 -3.53999 63.546000 Cu 0.394986 0.284861 1.22231e-16 766 63.546 0.000127683 -3.53995 63.546000 Cu 0.353975 0.272546 0.5 767 63.546 7.73298e-05 -3.53998 63.546000 Cu 0.403171 0.262267 1 769 63.546 8.09845e-05 -3.53997 63.546000 Cu 0.444097 0.274597 0.5 772 63.546 8.92881e-05 -3.53995 63.546000 Cu 0.493292 0.264319 1 770 63.546 5.05807e-05 -3.53996 63.546000 Cu 0.452392 0.252 0.5 771 63.546 9.45874e-05 -3.53995 63.546000 Cu 0.542522 0.254055 0.5 776 63.546 5.67723e-05 -3.53996 63.546000 Cu 0.534219 0.276643 0.5 815 63.546 0.000171556 -3.53997 63.546000 Cu 0.583448 0.266358 8.34893e-17 817 63.546 4.75527e-05 -3.53997 63.546000 Cu 0.67358 0.26841 6.00642e-20 818 63.546 9.69372e-05 -3.53998 63.546000 Cu 0.632662 0.256098 0.5 819 63.546 4.66405e-05 -3.53998 63.546000 Cu 0.624414 0.278663 0.5 820 63.546 0.000137088 -3.53999 63.546000 Cu 0.722799 0.258164 0.5 824 63.546 0.00010124 -3.53999 63.546000 Cu 0.714607 0.280722 0.5 863 63.546 9.52982e-05 -3.53999 63.546000 Cu 0.763774 0.270484 2.07762e-16 865 63.546 9.59758e-05 -3.53999 63.546000 Cu 0.853975 0.272546 4.5769e-17 866 63.546 7.73298e-05 -3.53998 63.546000 Cu 0.813006 0.260222 0.5 867 63.546 8.87912e-05 -3.53999 63.546000 Cu 0.804816 0.282792 0.5 868 63.546 0.000118226 -3.53998 63.546000 Cu 0.952392 0.252 7.49001e-17 626 63.546 9.45874e-05 -3.53995 63.546000 Cu 0.903171 0.262267 0.5 628 63.546 8.09845e-05 -3.53997 63.546000 Cu 0.894986 0.284861 0.5 667 63.546 0.000127683 -3.53995 63.546000 Cu 0.944097 0.274597 1.22411e-16 669 63.546 8.92881e-05 -3.53995 63.546000 Cu 0.993292 0.264319 0.5 671 63.546 5.05807e-05 -3.53996 63.546000 Cu 0.026252 0.299222 1 713 63.546 0.000160889 -3.53998 63.546000 Cu 0.116466 0.30123 1 714 63.546 0.000197886 -3.53998 63.546000 Cu 0.0752748 0.288942 0.5 715 63.546 0.000203335 -3.53998 63.546000 Cu 0.0675236 0.311509 0.5 716 63.546 7.70229e-05 -3.53998 63.546000 Cu 0.157798 0.31352 0.5 759 63.546 6.04628e-05 -3.53995 63.546000 Cu 0.165499 0.29098 0.5 720 63.546 0.000185589 -3.53998 63.546000 Cu 0.206707 0.303268 4.5769e-17 761 63.546 0.000229329 -3.53995 63.546000 Cu 0.255707 0.293035 0.5 763 63.546 0.000226268 -3.53997 63.546000 Cu 0.24807 0.315572 0.5 764 63.546 0.000220766 -3.53988 63.546000 Cu 0.296956 0.305352 4.26456e-18 762 63.546 0.000225768 -3.5399 63.546000 Cu 0.345887 0.29513 0.5 768 63.546 0.000382183 -3.53994 63.546000 Cu 0.338318 0.317712 0.5 807 63.546 5.42146e-05 -3.53985 63.546000 Cu 0.387148 0.307473 4.5769e-17 809 63.546 0.000224635 -3.53988 63.546000 Cu 0.428468 0.319807 0.5 812 63.546 0.000147876 -3.5399 63.546000 Cu 0.436072 0.297199 0.5 811 63.546 0.000244326 -3.53994 63.546000 Cu 0.477318 0.309511 1.9671e-16 810 63.546 0.000100994 -3.53994 63.546000 Cu 0.485107 0.286916 1.30099e-16 813 63.546 0.000181724 -3.53996 63.546000 Cu 0.526252 0.299222 0.5 816 63.546 0.000160889 -3.53998 63.546000 Cu 0.567524 0.311509 6.67314e-17 857 63.546 7.70229e-05 -3.53998 63.546000 Cu 0.575275 0.288942 1.36766e-16 814 63.546 0.000203335 -3.53998 63.546000 Cu 0.657798 0.31352 2.14069e-16 858 63.546 6.04628e-05 -3.53995 63.546000 Cu 0.616466 0.30123 0.5 859 63.546 0.000197886 -3.53998 63.546000 Cu 0.665499 0.29098 1.27817e-16 861 63.546 0.000185589 -3.53998 63.546000 Cu 0.706707 0.303268 0.5 864 63.546 0.000229329 -3.53995 63.546000 Cu 0.755707 0.293035 2.58336e-16 862 63.546 0.000226268 -3.53997 63.546000 Cu 0.74807 0.315572 0 903 63.546 0.000220766 -3.53988 63.546000 Cu 0.838318 0.317712 1 904 63.546 5.42146e-05 -3.53985 63.546000 Cu 0.796956 0.305352 0.5 905 63.546 0.000225768 -3.5399 63.546000 Cu 0.845887 0.29513 2.74494e-17 907 63.546 0.000382183 -3.53994 63.546000 Cu 0.936072 0.297199 1 666 63.546 0.000244326 -3.53994 63.546000 Cu 0.887148 0.307473 0.5 668 63.546 0.000224635 -3.53988 63.546000 Cu 0.985107 0.286916 0.5 672 63.546 0.000181724 -3.53996 63.546000 Cu 0.928468 0.319807 4.5769e-17 709 63.546 0.000147876 -3.5399 63.546000 Cu 0.977318 0.309511 0.5 711 63.546 0.000100994 -3.53994 63.546000 Cu 0.101271 0.346322 1 754 63.546 0.000277547 -3.53996 63.546000 Cu 0.0599727 0.334083 0.5 755 63.546 0.000105848 -3.53999 63.546000 Cu 0.0521952 0.356641 0.5 756 63.546 0.000214307 -3.53996 63.546000 Cu 0.108901 0.32378 1.70042e-16 757 63.546 9.42003e-05 -3.53997 63.546000 Cu 0.0186505 0.321804 4.5769e-17 710 63.546 3.77579e-05 -3.53996 63.546000 Cu 0.0109924 0.344406 5.7061e-17 753 63.546 0.000190059 -3.53996 63.546000 Cu 0.150273 0.336056 0.5 760 63.546 0.000203718 -3.53994 63.546000 Cu 0.19922 0.325809 1.80193e-19 758 63.546 0.000166792 -3.53991 63.546000 Cu 0.191675 0.348327 1 801 63.546 0.000731244 -3.53987 63.546000 Cu 0.28187 0.350505 2.83143e-16 802 63.546 0.000236363 -3.5398 63.546000 Cu 0.240604 0.338131 0.5 803 63.546 0.000303074 -3.53987 63.546000 Cu 0.289497 0.327931 1.22831e-16 805 63.546 0.000124039 -3.53984 63.546000 Cu 0.379636 0.330085 1.80193e-19 806 63.546 0.000328751 -3.53984 63.546000 Cu 0.330759 0.340311 0.5 808 63.546 0.000152889 -3.53981 63.546000 Cu 0.371904 0.352717 4.5769e-17 849 63.546 0.000590737 -3.53978 63.546000 Cu 0.420828 0.342436 0.5 851 63.546 0.000431381 -3.53987 63.546000 Cu 0.461963 0.354749 5.50189e-17 850 63.546 0.000425915 -3.53988 63.546000 Cu 0.469757 0.332123 5.74815e-17 853 63.546 0.000166298 -3.53993 63.546000 Cu 0.559973 0.334083 1.04632e-16 854 63.546 0.000105848 -3.53999 63.546000 Cu 0.51865 0.321804 0.5 855 63.546 3.77579e-05 -3.53996 63.546000 Cu 0.510992 0.344406 0.5 856 63.546 0.000190059 -3.53996 63.546000 Cu 0.552195 0.356641 4.55888e-17 895 63.546 0.000214307 -3.53996 63.546000 Cu 0.608901 0.32378 0.5 860 63.546 9.42003e-05 -3.53997 63.546000 Cu 0.601271 0.346322 0.5 897 63.546 0.000277547 -3.53996 63.546000 Cu 0.650273 0.336056 1 899 63.546 0.000203718 -3.53994 63.546000 Cu 0.69922 0.325809 0.5 901 63.546 0.000166792 -3.53991 63.546000 Cu 0.691675 0.348327 0.5 902 63.546 0.000731244 -3.53987 63.546000 Cu 0.740604 0.338131 1 900 63.546 0.000303074 -3.53987 63.546000 Cu 0.789497 0.327931 0.5 906 63.546 0.000124039 -3.53984 63.546000 Cu 0.78187 0.350505 0.5 935 63.546 0.000236363 -3.5398 63.546000 Cu 0.830759 0.340311 1 937 63.546 0.000152889 -3.53981 63.546000 Cu 0.871904 0.352717 0.5 708 63.546 0.000590737 -3.53978 63.546000 Cu 0.920828 0.342436 1 706 63.546 0.000431381 -3.53987 63.546000 Cu 0.879636 0.330085 0.5 707 63.546 0.000328751 -3.53984 63.546000 Cu 0.969757 0.332123 0.5 712 63.546 0.000166298 -3.53993 63.546000 Cu 0.961963 0.354749 0.5 751 63.546 0.000425915 -3.53988 63.546000 Cu 0.0854086 0.391278 1.81454e-16 794 63.546 0.00122503 -3.53962 63.546000 Cu 0.0441512 0.379177 0.5 795 63.546 0.000364419 -3.53985 63.546000 Cu 0.0933775 0.36882 4.49881e-17 797 63.546 0.000540517 -3.53985 63.546000 Cu 0.142561 0.358546 0.5 799 63.546 0.000752079 -3.53985 63.546000 Cu 0.134628 0.38098 0.5 800 63.546 0.00222653 -3.53961 63.546000 Cu 0.00303992 0.367002 1.0241e-16 750 63.546 0.000361946 -3.53989 63.546000 Cu 0.183813 0.370796 2.35452e-17 798 63.546 0.00179499 -3.5397 63.546000 Cu 0.232936 0.360661 0.5 804 63.546 0.000836981 -3.5398 63.546000 Cu 0.225058 0.383154 0.5 843 63.546 0.00201618 -3.53947 63.546000 Cu 0.274043 0.373096 1.26736e-16 845 63.546 0.000478112 -3.53966 63.546000 Cu 0.363963 0.375385 1.36226e-16 846 63.546 0.00124132 -3.53957 63.546000 Cu 0.323008 0.362942 0.5 847 63.546 0.000483508 -3.53969 63.546000 Cu 0.315035 0.385605 0.5 848 63.546 0.0014415 -3.53938 63.546000 Cu 0.412952 0.365088 0.5 852 63.546 0.000926516 -3.53973 63.546000 Cu 0.404898 0.387795 0.5 889 63.546 0.00248948 -3.53944 63.546000 Cu 0.453926 0.377396 4.5769e-17 891 63.546 0.00102545 -3.53974 63.546000 Cu 0.544151 0.379177 4.5769e-17 892 63.546 0.000364419 -3.53985 63.546000 Cu 0.50304 0.367002 0.5 893 63.546 0.000361946 -3.53989 63.546000 Cu 0.494975 0.389604 0.5 894 63.546 0.000760033 -3.53974 63.546000 Cu 0.585409 0.391278 0.5 927 63.546 0.00122503 -3.53962 63.546000 Cu 0.642561 0.358546 1 896 63.546 0.000752079 -3.53985 63.546000 Cu 0.593378 0.36882 0.5 898 63.546 0.000540517 -3.53985 63.546000 Cu 0.634628 0.38098 1 929 63.546 0.00222653 -3.53961 63.546000 Cu 0.683813 0.370796 0.5 931 63.546 0.00179499 -3.5397 63.546000 Cu 0.725058 0.383154 4.5769e-17 930 63.546 0.00201618 -3.53947 63.546000 Cu 0.732936 0.360661 1 933 63.546 0.000836981 -3.5398 63.546000 Cu 0.823008 0.362942 1 934 63.546 0.000483508 -3.53969 63.546000 Cu 0.774043 0.373096 0.5 936 63.546 0.000478112 -3.53966 63.546000 Cu 0.815035 0.385605 4.5769e-17 959 63.546 0.0014415 -3.53938 63.546000 Cu 0.863963 0.375385 0.5 748 63.546 0.00124132 -3.53957 63.546000 Cu 0.904898 0.387795 2.45242e-16 747 63.546 0.00248948 -3.53944 63.546000 Cu 0.912952 0.365088 1.37367e-16 749 63.546 0.000926516 -3.53973 63.546000 Cu 0.953926 0.377396 0.5 752 63.546 0.00102545 -3.53974 63.546000 Cu 0.994975 0.389604 2.45122e-16 793 63.546 0.000760033 -3.53974 63.546000 Cu 0.0361254 0.401698 0.5 796 63.546 0.000742708 -3.53957 63.546000 Cu 0.0280341 0.424203 0.5 835 63.546 0.00145627 -3.53887 63.546000 Cu 0.077406 0.413691 1.20128e-18 837 63.546 0.00267961 -3.53912 63.546000 Cu 0.126753 0.403355 0.5 839 63.546 0.00541738 -3.53909 63.546000 Cu 0.118835 0.425647 0.5 840 63.546 0.0118192 -3.53797 63.546000 Cu 0.168152 0.415525 1.1226e-16 838 63.546 0.0141447 -3.5381 63.546000 Cu 0.17597 0.393198 2.22238e-17 841 63.546 0.00542653 -3.53924 63.546000 Cu 0.266221 0.395687 1 842 63.546 0.00134287 -3.5391 63.546000 Cu 0.217291 0.405591 0.5 844 63.546 0.00612556 -3.53856 63.546000 Cu 0.20959 0.427938 0.5 881 63.546 0.0212966 -3.53567 63.546000 Cu 0.258492 0.418299 1 883 63.546 0.00421184 -3.53774 63.546000 Cu 0.307209 0.408318 0.5 885 63.546 0.00427537 -3.53863 63.546000 Cu 0.348044 0.420956 1 884 63.546 0.00992578 -3.5378 63.546000 Cu 0.356002 0.398124 1 887 63.546 0.00371876 -3.53901 63.546000 Cu 0.39692 0.410566 0.5 890 63.546 0.00568005 -3.53878 63.546000 Cu 0.445896 0.40008 1 888 63.546 0.00214868 -3.53939 63.546000 Cu 0.437737 0.42284 4.5769e-17 921 63.546 0.00529641 -3.53853 63.546000 Cu 0.528034 0.424203 4.5769e-17 922 63.546 0.00145627 -3.53887 63.546000 Cu 0.486922 0.412226 0.5 923 63.546 0.00163411 -3.53927 63.546000 Cu 0.536125 0.401698 1.22531e-16 925 63.546 0.000742708 -3.53957 63.546000 Cu 0.577406 0.413691 0.5 928 63.546 0.00267961 -3.53912 63.546000 Cu 0.626753 0.403355 2.45122e-16 926 63.546 0.00541738 -3.53909 63.546000 Cu 0.67597 0.393198 0.5 932 63.546 0.00542653 -3.53924 63.546000 Cu 0.618835 0.425647 4.5769e-17 951 63.546 0.0118192 -3.53797 63.546000 Cu 0.70959 0.427938 0 952 63.546 0.0212966 -3.53567 63.546000 Cu 0.668152 0.415525 0.5 953 63.546 0.0141447 -3.5381 63.546000 Cu 0.717291 0.405591 4.5769e-17 955 63.546 0.00612556 -3.53856 63.546000 Cu 0.848044 0.420956 0.5 490 63.546 0.00992578 -3.5378 63.546000 Cu 0.807209 0.408318 0 956 63.546 0.00427537 -3.53863 63.546000 Cu 0.766221 0.395687 0.5 957 63.546 0.00134287 -3.5391 63.546000 Cu 0.758492 0.418299 0.5 958 63.546 0.00421184 -3.53774 63.546000 Cu 0.856002 0.398124 0.5 960 63.546 0.00371876 -3.53901 63.546000 Cu 0.89692 0.410566 1 789 63.546 0.00568005 -3.53878 63.546000 Cu 0.986922 0.412226 4.5769e-17 790 63.546 0.00163411 -3.53927 63.546000 Cu 0.945896 0.40008 0.5 791 63.546 0.00214868 -3.53939 63.546000 Cu 0.937737 0.42284 0.5 792 63.546 0.00529641 -3.53853 63.546000 Cu 0.0692833 0.436055 1 834 63.546 0.00476998 -3.53789 63.546000 Cu 0.0609449 0.458349 1.17125e-17 875 63.546 0.00750969 -3.53565 63.546000 Cu 0.110725 0.447823 0.5 877 63.546 0.0209148 -3.5359 63.546000 Cu 0.0196927 0.446697 0.5 836 63.546 0.00265872 -3.5374 63.546000 Cu 0.152466 0.459692 1 876 63.546 0.106088 -3.52869 63.546000 Cu 0.16034 0.437707 4.5769e-17 879 63.546 0.0386458 -3.53537 63.546000 Cu 0.250831 0.44095 1.22771e-16 880 63.546 0.0171434 -3.53331 63.546000 Cu 0.20198 0.450067 0.5 882 63.546 0.0973738 -3.52495 63.546000 Cu 0.243442 0.463748 4.5769e-17 913 63.546 0.0789488 -3.5194 63.546000 Cu 0.299355 0.431118 0.5 886 63.546 0.0126814 -3.53663 63.546000 Cu 0.291397 0.454105 0.5 915 63.546 0.0443048 -3.53086 63.546000 Cu 0.339907 0.443945 4.5769e-17 917 63.546 0.0266713 -3.53484 63.546000 Cu 0.388713 0.433452 0.5 919 63.546 0.013506 -3.53727 63.546000 Cu 0.380274 0.456488 0.5 920 63.546 0.0289748 -3.5328 63.546000 Cu 0.429374 0.445671 1.22531e-16 918 63.546 0.00985878 -3.53656 63.546000 Cu 0.478657 0.434879 0.5 924 63.546 0.00285284 -3.53818 63.546000 Cu 0.470157 0.457568 0.5 945 63.546 0.00506741 -3.5361 63.546000 Cu 0.519693 0.446697 1.04512e-17 947 63.546 0.00265872 -3.5374 63.546000 Cu 0.569283 0.436055 0.5 949 63.546 0.00476998 -3.53789 63.546000 Cu 0.560945 0.458349 0.5 950 63.546 0.00750969 -3.53565 63.546000 Cu 0.610725 0.447823 1.22531e-16 948 63.546 0.0209148 -3.5359 63.546000 Cu 0.66034 0.437707 0.5 954 63.546 0.0386458 -3.53537 63.546000 Cu 0.652466 0.459692 0.5 966 63.546 0.106088 -3.52869 63.546000 Cu 0.70198 0.450067 1.22591e-16 968 63.546 0.0973738 -3.52495 63.546000 Cu 0.839907 0.443945 0.5 486 63.546 0.0266713 -3.53484 63.546000 Cu 0.791397 0.454105 2.45302e-16 969 63.546 0.0443048 -3.53086 63.546000 Cu 0.750831 0.44095 0.5 970 63.546 0.0171434 -3.53331 63.546000 Cu 0.743442 0.463748 0.5 971 63.546 0.0789488 -3.5194 63.546000 Cu 0.799355 0.431118 2.32749e-16 972 63.546 0.0126814 -3.53663 63.546000 Cu 0.888713 0.433452 4.80514e-18 788 63.546 0.013506 -3.53727 63.546000 Cu 0.880274 0.456488 1 829 63.546 0.0289748 -3.5328 63.546000 Cu 0.970157 0.457568 7.55608e-17 830 63.546 0.00506741 -3.5361 63.546000 Cu 0.929374 0.445671 0.5 831 63.546 0.00985878 -3.53656 63.546000 Cu 0.978657 0.434879 1.22711e-16 833 63.546 0.00285284 -3.53818 63.546000 Cu 0.0527907 0.480637 8.53513e-17 872 63.546 0.0224055 -3.53458 63.546000 Cu 0.102318 0.469892 0.5 878 63.546 0.0292054 -3.53216 63.546000 Cu 0.094777 0.491912 0.5 908 63.546 0.0850392 -3.5321 63.546000 Cu 0.0112313 0.469199 0.5 873 63.546 0.00602184 -3.53561 63.546000 Cu 0.00431079 0.491762 0.5 874 63.546 0.052969 -3.5375 63.546000 Cu 0.144048 0.481392 1 909 63.546 0.269989 -3.51441 63.546000 Cu 0.236261 0.486483 1 910 63.546 5.50234 -3.36476 63.546000 Cu 0.194427 0.471815 0.5 911 63.546 0.41839 -3.48938 63.546000 Cu 0.185076 0.492846 0.5 912 63.546 7.12358 -3.37641 63.546000 Cu 0.283454 0.477451 0.5 916 63.546 0.264709 -3.48573 63.546000 Cu 0.331693 0.467205 1 914 63.546 0.0743274 -3.5222 63.546000 Cu 0.322103 0.491376 2.45423e-16 939 63.546 0.555732 -3.49016 63.546000 Cu 0.413336 0.491636 0 940 63.546 0.0588373 -3.53423 63.546000 Cu 0.371407 0.479918 0.5 941 63.546 0.101208 -3.52525 63.546000 Cu 0.420805 0.468653 3.09932e-17 943 63.546 0.0205406 -3.53293 63.546000 Cu 0.511231 0.469199 1.38748e-17 944 63.546 0.00602184 -3.53561 63.546000 Cu 0.461972 0.480317 0.5 946 63.546 0.0160037 -3.53546 63.546000 Cu 0.504311 0.491762 1 961 63.546 0.052969 -3.5375 63.546000 Cu 0.552791 0.480637 0.5 963 63.546 0.0224055 -3.53458 63.546000 Cu 0.685076 0.492846 2.44942e-16 469 63.546 7.12358 -3.37641 63.546000 Cu 0.594777 0.491912 3.67894e-16 962 63.546 0.0850392 -3.5321 63.546000 Cu 0.602318 0.469892 7.03352e-17 964 63.546 0.0292054 -3.53216 63.546000 Cu 0.694427 0.471815 4.94869e-16 965 63.546 0.41839 -3.48938 63.546000 Cu 0.644048 0.481392 0.5 967 63.546 0.269989 -3.51441 63.546000 Cu 0.736261 0.486483 0.5 60 63.546 5.50234 -3.36476 63.546000 Cu 0.822103 0.491376 0.5 3 63.546 0.555732 -3.49016 63.546000 Cu 0.831693 0.467205 0.5 15 63.546 0.0743274 -3.5222 63.546000 Cu 0.783454 0.477451 4.90545e-16 59 63.546 0.264709 -3.48573 63.546000 Cu 0.871407 0.479918 1.22831e-16 828 63.546 0.101208 -3.52525 63.546000 Cu 0.920805 0.468653 0.5 832 63.546 0.0205406 -3.53293 63.546000 Cu 0.913336 0.491636 0.5 870 63.546 0.0588373 -3.53423 63.546000 Cu 0.961972 0.480317 1.59711e-16 871 63.546 0.0160037 -3.53546 63.546000 Cu 0.0487189 0.503052 1 1 63.546 0.0726076 -3.53707 63.546000 Cu 0.0949672 0.514189 0.5 2 63.546 0.0850778 -3.53182 63.546000 Cu 0.0045059 0.514334 0.5 6 63.546 0.0530877 -3.5372 63.546000 Cu 0.0531425 0.525461 1.36166e-16 8 63.546 0.0227059 -3.53403 63.546000 Cu 0.137935 0.503059 1 92 63.546 3.798 -3.44929 63.546000 Cu 0.269827 0.503084 0.5 938 63.546 5.21872 -3.37895 63.546000 Cu 0.144483 0.524701 2.45062e-16 93 63.546 0.259724 -3.51434 63.546000 Cu 0.185343 0.513292 0.5 94 63.546 7.11751 -3.37668 63.546000 Cu 0.236593 0.519666 3.70056e-16 95 63.546 5.50617 -3.36753 63.546000 Cu 0.194966 0.534322 0.5 98 63.546 0.424519 -3.49061 63.546000 Cu 0.28396 0.528703 0.5 97 63.546 0.266908 -3.48656 63.546000 Cu 0.322376 0.514795 1 58 63.546 0.549504 -3.48976 63.546000 Cu 0.371849 0.526251 0.5 64 63.546 0.0970226 -3.52514 63.546000 Cu 0.365363 0.503088 0.5 942 63.546 0.216373 -3.52174 63.546000 Cu 0.413579 0.514529 1 61 63.546 0.0569778 -3.53419 63.546000 Cu 0.504506 0.514334 5.8923e-17 32 63.546 0.0530877 -3.5372 63.546000 Cu 0.548719 0.503052 0.5 33 63.546 0.0726076 -3.53707 63.546000 Cu 0.457473 0.503059 0.5 34 63.546 0.0997327 -3.53692 63.546000 Cu 0.462399 0.525785 0.5 63 63.546 0.0154219 -3.53524 63.546000 Cu 0.553142 0.525461 0.5 38 63.546 0.0227059 -3.53403 63.546000 Cu 0.685343 0.513292 1 13 63.546 7.11751 -3.37668 63.546000 Cu 0.637935 0.503059 0.5 14 63.546 3.798 -3.44929 63.546000 Cu 0.594967 0.514189 4.5769e-17 35 63.546 0.0850778 -3.53182 63.546000 Cu 0.644483 0.524701 0.5 37 63.546 0.259724 -3.51434 63.546000 Cu 0.694966 0.534322 1 39 63.546 0.424519 -3.49061 63.546000 Cu 0.769827 0.503084 1.22831e-16 468 63.546 5.21872 -3.37895 63.546000 Cu 0.78396 0.528703 1.22771e-16 16 63.546 0.266908 -3.48656 63.546000 Cu 0.822376 0.514795 0.5 17 63.546 0.549504 -3.48976 63.546000 Cu 0.736593 0.519666 0.5 18 63.546 5.50617 -3.36753 63.546000 Cu 0.865363 0.503088 3.3654e-16 869 63.546 0.216373 -3.52174 63.546000 Cu 0.957473 0.503059 2.45423e-16 4 63.546 0.0997327 -3.53692 63.546000 Cu 0.962399 0.525785 6.00642e-20 5 63.546 0.0154219 -3.53524 63.546000 Cu 0.913579 0.514529 0.5 7 63.546 0.0569778 -3.53419 63.546000 Cu 0.871849 0.526251 1.80193e-19 19 63.546 0.0970226 -3.52514 63.546000 Cu 0.102883 0.536218 0.5 10 63.546 0.0285996 -3.53211 63.546000 Cu 0.0616555 0.547762 3.17139e-17 9 63.546 0.00777514 -3.53553 63.546000 Cu 0.0118313 0.5369 0.5 11 63.546 0.00521743 -3.53513 63.546000 Cu 0.111537 0.558282 0.5 12 63.546 0.0193431 -3.536 63.546000 Cu 0.020538 0.559413 0.5 25 63.546 0.00267364 -3.53714 63.546000 Cu 0.0702617 0.570074 3.68014e-16 27 63.546 0.00503588 -3.53788 63.546000 Cu 0.244144 0.542392 1 96 63.546 0.0813971 -3.52018 63.546000 Cu 0.153123 0.54642 1 134 63.546 0.103196 -3.52917 63.546000 Cu 0.161212 0.568413 4.5769e-17 135 63.546 0.0360277 -3.53573 63.546000 Cu 0.202706 0.556071 0.5 136 63.546 0.0990669 -3.52553 63.546000 Cu 0.251682 0.565208 0 137 63.546 0.0158693 -3.53376 63.546000 Cu 0.332387 0.538961 4.5769e-17 99 63.546 0.07159 -3.52229 63.546000 Cu 0.340819 0.562207 4.5769e-17 100 63.546 0.0258537 -3.53508 63.546000 Cu 0.381115 0.549652 0.5 101 63.546 0.02835 -3.53293 63.546000 Cu 0.292147 0.55205 0.5 102 63.546 0.0427178 -3.53117 63.546000 Cu 0.421449 0.537485 1.22591e-16 62 63.546 0.0192214 -3.53286 63.546000 Cu 0.511831 0.5369 1 65 63.546 0.00521743 -3.53513 63.546000 Cu 0.520538 0.559413 1.80193e-19 66 63.546 0.00267364 -3.53714 63.546000 Cu 0.470927 0.548542 0.5 68 63.546 0.00513431 -3.53583 63.546000 Cu 0.430298 0.560462 1.22591e-16 103 63.546 0.00940436 -3.53645 63.546000 Cu 0.561656 0.547762 0.5 67 63.546 0.00777514 -3.53553 63.546000 Cu 0.570262 0.570074 0.5 72 63.546 0.00503588 -3.53788 63.546000 Cu 0.479687 0.571248 0.5 105 63.546 0.0026849 -3.53798 63.546000 Cu 0.602883 0.536218 1 36 63.546 0.0285996 -3.53211 63.546000 Cu 0.653123 0.54642 0.5 42 63.546 0.103196 -3.52917 63.546000 Cu 0.611537 0.558282 2.40257e-19 69 63.546 0.0193431 -3.536 63.546000 Cu 0.661212 0.568413 0.5 71 63.546 0.0360277 -3.53573 63.546000 Cu 0.702706 0.556071 1 40 63.546 0.0990669 -3.52553 63.546000 Cu 0.832387 0.538961 0.5 22 63.546 0.07159 -3.52229 63.546000 Cu 0.744144 0.542392 0.5 41 63.546 0.0813971 -3.52018 63.546000 Cu 0.792147 0.55205 1.63975e-16 43 63.546 0.0427178 -3.53117 63.546000 Cu 0.751682 0.565208 0.5 46 63.546 0.0158693 -3.53376 63.546000 Cu 0.840819 0.562207 0.5 45 63.546 0.0258537 -3.53508 63.546000 Cu 0.881115 0.549652 1.52984e-16 20 63.546 0.02835 -3.53293 63.546000 Cu 0.921449 0.537485 0.5 21 63.546 0.0192214 -3.53286 63.546000 Cu 0.970927 0.548542 1.22651e-16 23 63.546 0.00513431 -3.53583 63.546000 Cu 0.930298 0.560462 0.5 26 63.546 0.00940436 -3.53645 63.546000 Cu 0.979687 0.571248 6.00642e-17 24 63.546 0.0026849 -3.53798 63.546000 Cu 0.0786767 0.592457 1 28 63.546 0.00326206 -3.53903 63.546000 Cu 0.119882 0.580479 0.5 29 63.546 0.0110843 -3.5382 63.546000 Cu 0.0291604 0.581925 0.5 30 63.546 0.00126846 -3.53869 63.546000 Cu 0.0376457 0.60445 0.5 53 63.546 0.000661695 -3.53936 63.546000 Cu 0.128189 0.602791 0.5 31 63.546 0.00579645 -3.5392 63.546000 Cu 0.259634 0.58785 1 138 63.546 0.00372651 -3.53808 63.546000 Cu 0.210585 0.578212 0.5 140 63.546 0.0224417 -3.53609 63.546000 Cu 0.169368 0.590599 1.08416e-16 174 63.546 0.0124129 -3.53836 63.546000 Cu 0.218664 0.600538 0.5 176 63.546 0.00578567 -3.53879 63.546000 Cu 0.389699 0.572688 0.5 106 63.546 0.0133329 -3.5373 63.546000 Cu 0.300325 0.57503 0.5 139 63.546 0.0124305 -3.53686 63.546000 Cu 0.349165 0.585176 6.00642e-20 141 63.546 0.0103143 -3.53803 63.546000 Cu 0.398212 0.595553 0.5 143 63.546 0.00590371 -3.5388 63.546000 Cu 0.308529 0.597804 0.5 144 63.546 0.0043875 -3.53886 63.546000 Cu 0.438898 0.583293 1.22711e-16 104 63.546 0.00495028 -3.53841 63.546000 Cu 0.52916 0.581925 1 107 63.546 0.00126846 -3.53869 63.546000 Cu 0.537646 0.60445 1.22591e-16 108 63.546 0.000661695 -3.53936 63.546000 Cu 0.488227 0.593904 0.5 110 63.546 0.00141853 -3.53903 63.546000 Cu 0.447411 0.606036 1.22711e-16 145 63.546 0.00231475 -3.53924 63.546000 Cu 0.619882 0.580479 1.20128e-19 70 63.546 0.0110843 -3.5382 63.546000 Cu 0.669368 0.590599 0.5 76 63.546 0.0124129 -3.53836 63.546000 Cu 0.578677 0.592457 0.5 109 63.546 0.00326206 -3.53903 63.546000 Cu 0.628189 0.602791 1.67459e-16 111 63.546 0.00579645 -3.5392 63.546000 Cu 0.710585 0.578212 1 73 63.546 0.0224417 -3.53609 63.546000 Cu 0.800325 0.57503 1 44 63.546 0.0124305 -3.53686 63.546000 Cu 0.718664 0.600538 2.25782e-16 74 63.546 0.00578567 -3.53879 63.546000 Cu 0.759634 0.58785 0.5 75 63.546 0.00372651 -3.53808 63.546000 Cu 0.808529 0.597804 5.77217e-17 77 63.546 0.0043875 -3.53886 63.546000 Cu 0.849165 0.585176 0.5 50 63.546 0.0103143 -3.53803 63.546000 Cu 0.988227 0.593904 1.05233e-16 51 63.546 0.00141853 -3.53903 63.546000 Cu 0.889699 0.572688 4.5769e-17 47 63.546 0.0133329 -3.5373 63.546000 Cu 0.898212 0.595553 1 48 63.546 0.00590371 -3.5388 63.546000 Cu 0.938898 0.583293 0.5 49 63.546 0.00495028 -3.53841 63.546000 Cu 0.947411 0.606036 0.5 54 63.546 0.00231475 -3.53924 63.546000 Cu 0.0870979 0.614887 2.44702e-16 55 63.546 0.00187981 -3.53958 63.546000 Cu 0.0954295 0.637359 1 56 63.546 0.000914406 -3.53983 63.546000 Cu 0.0460472 0.626992 0.5 57 63.546 0.000425785 -3.5397 63.546000 Cu 0.00511723 0.639138 9.12977e-17 85 63.546 0.000418426 -3.53974 63.546000 Cu 0.136482 0.625171 0.5 214 63.546 0.00233113 -3.53969 63.546000 Cu 0.177577 0.612929 9.09973e-17 175 63.546 0.00475419 -3.53941 63.546000 Cu 0.226827 0.622968 0.5 180 63.546 0.00169824 -3.5396 63.546000 Cu 0.185788 0.635352 1 215 63.546 0.00186707 -3.5398 63.546000 Cu 0.267771 0.61043 1 177 63.546 0.00122177 -3.53933 63.546000 Cu 0.275977 0.633014 1 178 63.546 0.00041714 -3.53975 63.546000 Cu 0.357533 0.60798 1.22531e-17 142 63.546 0.00414752 -3.53915 63.546000 Cu 0.406651 0.618308 0.5 148 63.546 0.00284609 -3.53939 63.546000 Cu 0.316815 0.620497 0.5 179 63.546 0.00160663 -3.53951 63.546000 Cu 0.365924 0.630708 6.96745e-18 181 63.546 0.00168783 -3.53959 63.546000 Cu 0.415051 0.64102 0.5 183 63.546 0.00103983 -3.53968 63.546000 Cu 0.455824 0.628723 4.5769e-17 146 63.546 0.00124691 -3.53961 63.546000 Cu 0.496673 0.616532 0.5 147 63.546 0.000735694 -3.53953 63.546000 Cu 0.546047 0.626992 1 149 63.546 0.000425785 -3.5397 63.546000 Cu 0.505117 0.639138 0.5 152 63.546 0.000418426 -3.53974 63.546000 Cu 0.636482 0.625171 4.5769e-17 112 63.546 0.00233113 -3.53969 63.546000 Cu 0.677577 0.612929 0.5 113 63.546 0.00475419 -3.53941 63.546000 Cu 0.587098 0.614887 0.5 114 63.546 0.00187981 -3.53958 63.546000 Cu 0.685788 0.635352 0.5 118 63.546 0.00186707 -3.5398 63.546000 Cu 0.59543 0.637359 0.5 151 63.546 0.000914406 -3.53983 63.546000 Cu 0.816815 0.620497 4.5769e-17 78 63.546 0.00160663 -3.53951 63.546000 Cu 0.767771 0.61043 0.5 80 63.546 0.00122177 -3.53933 63.546000 Cu 0.726827 0.622968 1.22651e-16 115 63.546 0.00169824 -3.5396 63.546000 Cu 0.775977 0.633014 0.5 117 63.546 0.00041714 -3.53975 63.546000 Cu 0.996673 0.616532 4.5769e-17 52 63.546 0.000735694 -3.53953 63.546000 Cu 0.857533 0.60798 0.5 79 63.546 0.00414752 -3.53915 63.546000 Cu 0.906651 0.618308 1 81 63.546 0.00284609 -3.53939 63.546000 Cu 0.915051 0.64102 1 82 63.546 0.00103983 -3.53968 63.546000 Cu 0.955824 0.628723 0.5 83 63.546 0.00124691 -3.53961 63.546000 Cu 0.865924 0.630708 0.5 84 63.546 0.00168783 -3.53959 63.546000 Cu 0.0136684 0.661727 1 86 63.546 0.000191941 -3.53979 63.546000 Cu 0.0544755 0.64953 0.5 87 63.546 0.000224633 -3.53982 63.546000 Cu 0.103873 0.659861 1 89 63.546 0.00044379 -3.53989 63.546000 Cu 0.0630488 0.672082 0.5 91 63.546 0.000124212 -3.53988 63.546000 Cu 0.19415 0.657836 1 216 63.546 0.000900582 -3.53995 63.546000 Cu 0.235047 0.645464 0.5 217 63.546 0.000488033 -3.53988 63.546000 Cu 0.144785 0.647636 0.5 218 63.546 0.00128552 -3.5399 63.546000 Cu 0.24351 0.667978 0.5 222 63.546 0.000129357 -3.53997 63.546000 Cu 0.153295 0.670139 0.5 256 63.546 0.000796077 -3.53996 63.546000 Cu 0.2843 0.655582 1 219 63.546 0.000178601 -3.53993 63.546000 Cu 0.374314 0.653374 6.00642e-20 182 63.546 0.000708765 -3.53981 63.546000 Cu 0.325128 0.643153 0.5 184 63.546 0.000664938 -3.53979 63.546000 Cu 0.292797 0.678136 1 220 63.546 0.000301413 -3.53996 63.546000 Cu 0.333589 0.665755 0.5 221 63.546 0.000352571 -3.53992 63.546000 Cu 0.382857 0.675997 1 223 63.546 0.000392493 -3.53989 63.546000 Cu 0.423593 0.663664 0.5 188 63.546 0.000376955 -3.53981 63.546000 Cu 0.464307 0.651367 1 185 63.546 0.00056348 -3.53976 63.546000 Cu 0.472924 0.673987 6.00642e-20 186 63.546 0.000276765 -3.53984 63.546000 Cu 0.513668 0.661727 0.5 187 63.546 0.000191941 -3.53979 63.546000 Cu 0.554475 0.64953 1.23012e-16 150 63.546 0.000224633 -3.53982 63.546000 Cu 0.563049 0.672082 1 189 63.546 0.000124212 -3.53988 63.546000 Cu 0.644785 0.647636 4.5769e-17 153 63.546 0.00128552 -3.5399 63.546000 Cu 0.653295 0.670139 1 154 63.546 0.000796077 -3.53996 63.546000 Cu 0.603873 0.659861 0.5 156 63.546 0.00044379 -3.53989 63.546000 Cu 0.69415 0.657836 0.5 155 63.546 0.000900582 -3.53995 63.546000 Cu 0.735047 0.645464 2.45122e-16 116 63.546 0.000488033 -3.53988 63.546000 Cu 0.825128 0.643153 2.45242e-16 119 63.546 0.000664938 -3.53979 63.546000 Cu 0.833589 0.665755 4.94329e-17 120 63.546 0.000352571 -3.53992 63.546000 Cu 0.7843 0.655582 0.5 122 63.546 0.000178601 -3.53993 63.546000 Cu 0.74351 0.667978 1.45776e-16 157 63.546 0.000129357 -3.53997 63.546000 Cu 0.792797 0.678136 0.5 159 63.546 0.000301413 -3.53996 63.546000 Cu 0.964307 0.651367 0.5 88 63.546 0.00056348 -3.53976 63.546000 Cu 0.874314 0.653374 0.5 121 63.546 0.000708765 -3.53981 63.546000 Cu 0.923593 0.663664 1 123 63.546 0.000376955 -3.53981 63.546000 Cu 0.972924 0.673987 0.5 125 63.546 0.000276765 -3.53984 63.546000 Cu 0.882857 0.675997 0.5 126 63.546 0.000392493 -3.53989 63.546000 Cu 0.112384 0.682404 4.5769e-17 90 63.546 0.000387301 -3.53996 63.546000 Cu 0.0222096 0.684333 1 127 63.546 0.000141017 -3.53989 63.546000 Cu 0.0304345 0.706924 2.36713e-16 128 63.546 3.80321e-05 -3.53996 63.546000 Cu 0.071431 0.694661 0.5 129 63.546 0.000117563 -3.53995 63.546000 Cu 0.120618 0.704959 4.5769e-17 131 63.546 0.000248925 -3.53999 63.546000 Cu 0.202638 0.680348 0 257 63.546 0.00054031 -3.53997 63.546000 Cu 0.210846 0.70289 4.5769e-17 258 63.546 0.000271062 -3.53997 63.546000 Cu 0.251861 0.690523 0.5 259 63.546 0.00011778 -3.53996 63.546000 Cu 0.161653 0.692663 0.5 260 63.546 0.000362818 -3.53999 63.546000 Cu 0.259953 0.713091 0.5 264 63.546 3.49225e-05 -3.53994 63.546000 Cu 0.391157 0.698618 1 224 63.546 0.000222222 -3.53994 63.546000 Cu 0.341999 0.688358 0.5 226 63.546 0.000272444 -3.53994 63.546000 Cu 0.30101 0.700724 1 261 63.546 0.00011754 -3.53995 63.546000 Cu 0.350109 0.710956 0.5 263 63.546 0.000113366 -3.53995 63.546000 Cu 0.52221 0.684333 0.5 192 63.546 0.000141017 -3.53989 63.546000 Cu 0.43212 0.686296 0.5 225 63.546 0.000305794 -3.5399 63.546000 Cu 0.481297 0.696607 1.66378e-17 227 63.546 0.000155291 -3.53993 63.546000 Cu 0.530434 0.706924 0.5 229 63.546 3.80321e-05 -3.53996 63.546000 Cu 0.440277 0.708896 0.5 230 63.546 0.000162122 -3.53996 63.546000 Cu 0.571431 0.694661 1.22711e-16 190 63.546 0.000117563 -3.53995 63.546000 Cu 0.612384 0.682404 0.5 191 63.546 0.000387301 -3.53996 63.546000 Cu 0.661653 0.692663 1 193 63.546 0.000362818 -3.53999 63.546000 Cu 0.620618 0.704959 0.5 196 63.546 0.000248925 -3.53999 63.546000 Cu 0.702638 0.680348 0.5 160 63.546 0.00054031 -3.53997 63.546000 Cu 0.710846 0.70289 0.5 195 63.546 0.000271062 -3.53997 63.546000 Cu 0.751861 0.690523 2.45122e-16 158 63.546 0.00011778 -3.53996 63.546000 Cu 0.80101 0.700724 0.5 164 63.546 0.00011754 -3.53995 63.546000 Cu 0.759953 0.713091 4.5769e-17 197 63.546 3.49225e-05 -3.53994 63.546000 Cu 0.841999 0.688358 4.5769e-17 161 63.546 0.000272444 -3.53994 63.546000 Cu 0.850109 0.710956 1.09137e-16 162 63.546 0.000113366 -3.53995 63.546000 Cu 0.981297 0.696607 0.5 130 63.546 0.000155291 -3.53993 63.546000 Cu 0.93212 0.686296 1.22651e-16 124 63.546 0.000305794 -3.5399 63.546000 Cu 0.891157 0.698618 0.5 163 63.546 0.000222222 -3.53994 63.546000 Cu 0.940277 0.708896 2.18634e-16 165 63.546 0.000162122 -3.53996 63.546000 Cu 0.07957 0.717236 0.5 133 63.546 0.000112389 -3.53998 63.546000 Cu 0.0384742 0.729514 2.67887e-17 169 63.546 5.09352e-05 -3.53998 63.546000 Cu 0.0875383 0.739816 0.5 171 63.546 0.00013185 -3.53999 63.546000 Cu 0.128666 0.727518 1 132 63.546 0.000136528 -3.53999 63.546000 Cu 0.16975 0.715205 0.5 296 63.546 0.00010324 -3.53999 63.546000 Cu 0.218854 0.725445 1.22651e-16 297 63.546 0.000100784 -3.53997 63.546000 Cu 0.226809 0.748005 1.22711e-16 298 63.546 7.08587e-05 -3.53997 63.546000 Cu 0.177747 0.737764 0.5 300 63.546 4.50284e-05 -3.53998 63.546000 Cu 0.267923 0.735667 0.5 299 63.546 3.74163e-05 -3.53995 63.546000 Cu 0.309014 0.723305 4.5769e-17 262 63.546 4.3251e-05 -3.53994 63.546000 Cu 0.399185 0.721206 1.22771e-16 265 63.546 0.000170789 -3.53996 63.546000 Cu 0.407086 0.7438 1 266 63.546 0.000142619 -3.53997 63.546000 Cu 0.358046 0.733537 0.5 268 63.546 0.000132308 -3.53995 63.546000 Cu 0.316944 0.745893 4.5769e-17 301 63.546 1.44669e-05 -3.53994 63.546000 Cu 0.489383 0.719199 1 228 63.546 8.00894e-05 -3.53997 63.546000 Cu 0.538474 0.729514 0.5 234 63.546 5.09352e-05 -3.53998 63.546000 Cu 0.448233 0.731492 0.5 267 63.546 7.97865e-05 -3.53997 63.546000 Cu 0.497293 0.741798 1 269 63.546 1.54839e-05 -3.53998 63.546000 Cu 0.66975 0.715205 8.16874e-18 194 63.546 0.00010324 -3.53999 63.546000 Cu 0.57957 0.717236 1 231 63.546 0.000112389 -3.53998 63.546000 Cu 0.587538 0.739816 1.22411e-16 232 63.546 0.00013185 -3.53999 63.546000 Cu 0.628666 0.727518 0.5 233 63.546 0.000136528 -3.53999 63.546000 Cu 0.677747 0.737764 1 235 63.546 4.50284e-05 -3.53998 63.546000 Cu 0.767923 0.735667 1.98092e-16 198 63.546 3.74163e-05 -3.53995 63.546000 Cu 0.809014 0.723305 0.5 199 63.546 4.3251e-05 -3.53994 63.546000 Cu 0.718854 0.725445 0.5 200 63.546 0.000100784 -3.53997 63.546000 Cu 0.816944 0.745893 0.5 204 63.546 1.44669e-05 -3.53994 63.546000 Cu 0.726809 0.748005 0.5 237 63.546 7.08587e-05 -3.53997 63.546000 Cu 0.989383 0.719199 0.5 167 63.546 8.00894e-05 -3.53997 63.546000 Cu 0.997293 0.741798 0.5 172 63.546 1.54839e-05 -3.53998 63.546000 Cu 0.948233 0.731492 1 166 63.546 7.97865e-05 -3.53997 63.546000 Cu 0.899185 0.721206 0.5 168 63.546 0.000170789 -3.53996 63.546000 Cu 0.858046 0.733537 1 201 63.546 0.000132308 -3.53995 63.546000 Cu 0.907086 0.7438 0.5 203 63.546 0.000142619 -3.53997 63.546000 Cu 0.136581 0.750076 8.21078e-17 336 63.546 4.10736e-05 -3.53998 63.546000 Cu 0.0463343 0.7521 1.00968e-16 170 63.546 5.15727e-05 -3.53998 63.546000 Cu 0.0953956 0.762384 0.5 173 63.546 9.97727e-05 -3.53998 63.546000 Cu 0.00522781 0.764377 0.5 207 63.546 1.37606e-05 -3.53998 63.546000 Cu 0.0542832 0.774684 9.7184e-17 209 63.546 0.000103699 -3.53997 63.546000 Cu 0.103285 0.784973 0.5 211 63.546 0.000149531 -3.53996 63.546000 Cu 0.144447 0.772645 1.02169e-16 337 63.546 5.37491e-05 -3.53996 63.546000 Cu 0.185631 0.760318 0.5 338 63.546 2.17364e-05 -3.53997 63.546000 Cu 0.234625 0.770561 2.04819e-17 339 63.546 1.38158e-05 -3.53996 63.546000 Cu 0.193422 0.782889 0.5 342 63.546 2.45698e-05 -3.53994 63.546000 Cu 0.275829 0.758245 0.5 304 63.546 0.000113535 -3.53995 63.546000 Cu 0.283606 0.780792 0.5 341 63.546 1.64937e-05 -3.53994 63.546000 Cu 0.324824 0.768463 4.5769e-17 302 63.546 3.21202e-05 -3.53995 63.546000 Cu 0.365984 0.756129 0.5 303 63.546 0.000102609 -3.53996 63.546000 Cu 0.373841 0.778686 0.5 308 63.546 0.000123306 -3.53996 63.546000 Cu 0.41505 0.766381 2.13408e-16 305 63.546 0.000148582 -3.53998 63.546000 Cu 0.505228 0.764377 2.5227e-18 270 63.546 1.37606e-05 -3.53998 63.546000 Cu 0.546334 0.7521 0.5 271 63.546 5.15727e-05 -3.53998 63.546000 Cu 0.456151 0.754085 0.5 272 63.546 5.32761e-05 -3.53998 63.546000 Cu 0.464085 0.77666 0.5 307 63.546 8.29899e-05 -3.53999 63.546000 Cu 0.554283 0.774684 0.5 276 63.546 0.000103699 -3.53997 63.546000 Cu 0.636581 0.750076 0.5 238 63.546 4.10736e-05 -3.53998 63.546000 Cu 0.685631 0.760318 1 236 63.546 2.17364e-05 -3.53997 63.546000 Cu 0.595396 0.762384 1 273 63.546 9.97727e-05 -3.53998 63.546000 Cu 0.603285 0.784973 1.22531e-16 274 63.546 0.000149531 -3.53996 63.546000 Cu 0.644447 0.772645 0.5 275 63.546 5.37491e-05 -3.53996 63.546000 Cu 0.693422 0.782889 4.5769e-17 277 63.546 2.45698e-05 -3.53994 63.546000 Cu 0.775829 0.758245 4.58891e-17 239 63.546 0.000113535 -3.53995 63.546000 Cu 0.783606 0.780792 2.45122e-16 240 63.546 1.64937e-05 -3.53994 63.546000 Cu 0.824824 0.768463 0.5 241 63.546 3.21202e-05 -3.53995 63.546000 Cu 0.734625 0.770561 0.5 242 63.546 1.38158e-05 -3.53996 63.546000 Cu 0.865984 0.756129 1.22771e-16 202 63.546 0.000102609 -3.53996 63.546000 Cu 0.956151 0.754085 1 205 63.546 5.32761e-05 -3.53998 63.546000 Cu 0.964085 0.77666 1 206 63.546 8.29899e-05 -3.53999 63.546000 Cu 0.91505 0.766381 0.5 208 63.546 0.000148582 -3.53998 63.546000 Cu 0.873841 0.778686 1.22591e-16 243 63.546 0.000123306 -3.53996 63.546000 Cu 0.0621059 0.797281 6.00642e-20 210 63.546 0.000227654 -3.53996 63.546000 Cu 0.0130944 0.786959 0.5 212 63.546 1.94019e-05 -3.53998 63.546000 Cu 0.111167 0.807566 0.5 213 63.546 0.000280997 -3.53995 63.546000 Cu 0.0209882 0.809552 0.5 249 63.546 0.000158439 -3.53994 63.546000 Cu 0.0701472 0.819875 3.4621e-16 251 63.546 0.000298996 -3.53994 63.546000 Cu 0.24238 0.793119 1 340 63.546 0.000123967 -3.53994 63.546000 Cu 0.152249 0.795238 1 378 63.546 0.000173453 -3.53994 63.546000 Cu 0.160263 0.817817 1.46076e-16 379 63.546 0.000202384 -3.53996 63.546000 Cu 0.201269 0.805466 0.5 380 63.546 0.000155155 -3.53995 63.546000 Cu 0.250403 0.815666 0 381 63.546 8.53687e-05 -3.53996 63.546000 Cu 0.332593 0.791004 1.22831e-16 343 63.546 0.000143237 -3.53995 63.546000 Cu 0.340654 0.813523 4.5769e-17 344 63.546 0.000246416 -3.53997 63.546000 Cu 0.381664 0.801228 0.5 345 63.546 0.000340503 -3.53998 63.546000 Cu 0.291438 0.803326 0.5 346 63.546 0.000201581 -3.53996 63.546000 Cu 0.422829 0.788945 1.22591e-16 306 63.546 0.000143873 -3.53999 63.546000 Cu 0.513094 0.786959 1 309 63.546 1.94019e-05 -3.53998 63.546000 Cu 0.520988 0.809552 0 310 63.546 0.000158439 -3.53994 63.546000 Cu 0.471882 0.799231 0.5 312 63.546 0.000185944 -3.53998 63.546000 Cu 0.430817 0.811496 1 347 63.546 0.000203314 -3.53998 63.546000 Cu 0.562106 0.797281 0.5 311 63.546 0.000227654 -3.53996 63.546000 Cu 0.570147 0.819875 0.5 316 63.546 0.000298996 -3.53994 63.546000 Cu 0.652249 0.795238 0.5 280 63.546 0.000173453 -3.53994 63.546000 Cu 0.611167 0.807566 1.78391e-17 313 63.546 0.000280997 -3.53995 63.546000 Cu 0.660263 0.817817 0.5 315 63.546 0.000202384 -3.53996 63.546000 Cu 0.701269 0.805466 1 278 63.546 0.000155155 -3.53995 63.546000 Cu 0.832593 0.791004 0.5 246 63.546 0.000143237 -3.53995 63.546000 Cu 0.74238 0.793119 0.5 279 63.546 0.000123967 -3.53994 63.546000 Cu 0.791438 0.803326 1.22831e-16 281 63.546 0.000201581 -3.53996 63.546000 Cu 0.750403 0.815666 0.5 284 63.546 8.53687e-05 -3.53996 63.546000 Cu 0.840654 0.813523 0.5 283 63.546 0.000246416 -3.53997 63.546000 Cu 0.881664 0.801228 4.5769e-17 244 63.546 0.000340503 -3.53998 63.546000 Cu 0.922829 0.788945 0.5 245 63.546 0.000143873 -3.53999 63.546000 Cu 0.971882 0.799231 8.75136e-17 247 63.546 0.000185944 -3.53998 63.546000 Cu 0.930817 0.811496 0.5 250 63.546 0.000203314 -3.53998 63.546000 Cu 0.0784326 0.842485 1.22471e-16 252 63.546 0.000478695 -3.53988 63.546000 Cu 0.119323 0.83017 0.5 253 63.546 0.000443341 -3.53992 63.546000 Cu 0.0292252 0.832157 0.5 254 63.546 0.00021211 -3.53989 63.546000 Cu 0.0375599 0.854766 0.5 291 63.546 0.000564037 -3.53981 63.546000 Cu 0.127591 0.852784 0.5 255 63.546 0.000818717 -3.53986 63.546000 Cu 0.2586 0.838184 1.57248e-16 382 63.546 0.000166512 -3.53993 63.546000 Cu 0.209406 0.828027 0.5 384 63.546 0.000147828 -3.53995 63.546000 Cu 0.168502 0.840406 1.34364e-16 416 63.546 0.000345317 -3.53993 63.546000 Cu 0.217664 0.850587 0.5 418 63.546 0.000226545 -3.53989 63.546000 Cu 0.38985 0.823763 0.5 350 63.546 0.000271265 -3.53997 63.546000 Cu 0.299619 0.82584 0.5 383 63.546 0.000183709 -3.53995 63.546000 Cu 0.348803 0.836029 4.06034e-17 385 63.546 0.000560796 -3.53994 63.546000 Cu 0.398039 0.846278 0.5 387 63.546 0.000487124 -3.53993 63.546000 Cu 0.307807 0.848338 0.5 388 63.546 0.000547902 -3.53989 63.546000 Cu 0.439052 0.834051 1.22711e-16 348 63.546 0.00017378 -3.53995 63.546000 Cu 0.480011 0.821809 0.5 349 63.546 6.77083e-05 -3.53994 63.546000 Cu 0.529225 0.832157 1.80193e-19 351 63.546 0.00021211 -3.53989 63.546000 Cu 0.53756 0.854766 1 352 63.546 0.000564037 -3.53981 63.546000 Cu 0.488311 0.844385 0.5 354 63.546 9.45727e-05 -3.53988 63.546000 Cu 0.44737 0.856587 0 389 63.546 0.000330497 -3.53989 63.546000 Cu 0.619323 0.83017 1.85298e-16 314 63.546 0.000443341 -3.53992 63.546000 Cu 0.668502 0.840406 0.5 320 63.546 0.000345317 -3.53993 63.546000 Cu 0.578433 0.842485 0.5 353 63.546 0.000478695 -3.53988 63.546000 Cu 0.627591 0.852784 6.00642e-20 355 63.546 0.000818717 -3.53986 63.546000 Cu 0.709406 0.828027 1 317 63.546 0.000147828 -3.53995 63.546000 Cu 0.799619 0.82584 4.5769e-17 282 63.546 0.000183709 -3.53995 63.546000 Cu 0.717664 0.850587 1.67519e-16 318 63.546 0.000226545 -3.53989 63.546000 Cu 0.7586 0.838184 0.5 319 63.546 0.000166512 -3.53993 63.546000 Cu 0.807807 0.848338 1 321 63.546 0.000547902 -3.53989 63.546000 Cu 0.848803 0.836029 0.5 288 63.546 0.000560796 -3.53994 63.546000 Cu 0.980011 0.821809 1.01749e-16 248 63.546 6.77083e-05 -3.53994 63.546000 Cu 0.988311 0.844385 4.5769e-17 289 63.546 9.45727e-05 -3.53988 63.546000 Cu 0.88985 0.823763 2.45362e-16 285 63.546 0.000271265 -3.53997 63.546000 Cu 0.898039 0.846278 1 286 63.546 0.000487124 -3.53993 63.546000 Cu 0.939052 0.834051 0.5 287 63.546 0.00017378 -3.53995 63.546000 Cu 0.94737 0.856587 0.5 292 63.546 0.000330497 -3.53989 63.546000 Cu 0.0867027 0.865123 4.5769e-17 293 63.546 0.00114931 -3.53975 63.546000 Cu 0.0948857 0.887816 1.22711e-16 294 63.546 0.00288629 -3.53947 63.546000 Cu 0.0457977 0.877407 0.5 295 63.546 0.00130921 -3.53965 63.546000 Cu 0.00488528 0.889578 1 329 63.546 0.000573358 -3.53957 63.546000 Cu 0.135778 0.87543 0.5 446 63.546 0.00173346 -3.53969 63.546000 Cu 0.176681 0.863003 4.5769e-17 417 63.546 0.000750202 -3.53981 63.546000 Cu 0.225746 0.873127 0.5 422 63.546 0.000444017 -3.5397 63.546000 Cu 0.184793 0.885633 1.97611e-17 447 63.546 0.0017353 -3.53952 63.546000 Cu 0.266808 0.860691 2.4296e-16 419 63.546 0.000489172 -3.53979 63.546000 Cu 0.274822 0.883156 4.5769e-17 420 63.546 0.00185788 -3.53945 63.546000 Cu 0.357055 0.858517 3.30353e-17 386 63.546 0.00100215 -3.53986 63.546000 Cu 0.406361 0.868772 0.5 392 63.546 0.000916853 -3.53985 63.546000 Cu 0.315969 0.870796 0.5 421 63.546 0.00154605 -3.53968 63.546000 Cu 0.365211 0.880956 1 423 63.546 0.00218755 -3.53964 63.546000 Cu 0.414535 0.891236 0.5 425 63.546 0.00175214 -3.53961 63.546000 Cu 0.455632 0.87912 1.13702e-16 390 63.546 0.00061732 -3.53977 63.546000 Cu 0.496622 0.866969 0.5 391 63.546 0.000224056 -3.53978 63.546000 Cu 0.545798 0.877407 1.80193e-19 393 63.546 0.00130921 -3.53965 63.546000 Cu 0.504885 0.889578 0.5 396 63.546 0.000573358 -3.53957 63.546000 Cu 0.635778 0.87543 1 356 63.546 0.00173346 -3.53969 63.546000 Cu 0.676681 0.863003 0.5 357 63.546 0.000750202 -3.53981 63.546000 Cu 0.586703 0.865123 0.5 358 63.546 0.00114931 -3.53975 63.546000 Cu 0.684793 0.885633 0.5 362 63.546 0.0017353 -3.53952 63.546000 Cu 0.594886 0.887816 0.5 395 63.546 0.00288629 -3.53947 63.546000 Cu 0.815969 0.870796 1 322 63.546 0.00154605 -3.53968 63.546000 Cu 0.766808 0.860691 0.5 324 63.546 0.000489172 -3.53979 63.546000 Cu 0.725746 0.873127 2.45423e-16 359 63.546 0.000444017 -3.5397 63.546000 Cu 0.774822 0.883156 0.5 361 63.546 0.00185788 -3.53945 63.546000 Cu 0.857055 0.858517 0.5 323 63.546 0.00100215 -3.53986 63.546000 Cu 0.996622 0.866969 1 290 63.546 0.000224056 -3.53978 63.546000 Cu 0.906361 0.868772 2.96117e-17 325 63.546 0.000916853 -3.53985 63.546000 Cu 0.914535 0.891236 1.22591e-16 326 63.546 0.00175214 -3.53961 63.546000 Cu 0.955632 0.87912 0.5 327 63.546 0.00061732 -3.53977 63.546000 Cu 0.865211 0.880956 0.5 328 63.546 0.00218755 -3.53964 63.546000 Cu 0.0131101 0.912216 1 330 63.546 0.00151139 -3.53913 63.546000 Cu 0.0540355 0.90009 0.5 331 63.546 0.00268816 -3.53931 63.546000 Cu 0.103115 0.910572 2.45362e-16 333 63.546 0.00641571 -3.53886 63.546000 Cu 0.0623066 0.922834 0.5 335 63.546 0.00568599 -3.53849 63.546000 Cu 0.192797 0.908307 1.11539e-16 448 63.546 0.00454456 -3.53881 63.546000 Cu 0.233734 0.895683 0.5 449 63.546 0.00121714 -3.5392 63.546000 Cu 0.143884 0.898131 0.5 450 63.546 0.0037927 -3.53924 63.546000 Cu 0.241604 0.918249 0.5 454 63.546 0.00376299 -3.53785 63.546000 Cu 0.151989 0.920929 0.5 470 63.546 0.00965966 -3.538 63.546000 Cu 0.28276 0.905562 2.97919e-17 451 63.546 0.00645715 -3.53851 63.546000 Cu 0.373299 0.903331 1 424 63.546 0.00509207 -3.53913 63.546000 Cu 0.324005 0.893191 0.5 426 63.546 0.00460122 -3.53924 63.546000 Cu 0.29057 0.927874 2.45423e-16 452 63.546 0.023709 -3.53567 63.546000 Cu 0.33195 0.915505 0.5 453 63.546 0.0122999 -3.53811 63.546000 Cu 0.381371 0.925621 1.20128e-19 455 63.546 0.0110872 -3.53808 63.546000 Cu 0.422664 0.913652 0.5 430 63.546 0.00341717 -3.5391 63.546000 Cu 0.46384 0.901659 1 427 63.546 0.000916078 -3.53948 63.546000 Cu 0.472056 0.92418 4.5769e-17 428 63.546 0.0013085 -3.53883 63.546000 Cu 0.51311 0.912216 0.5 429 63.546 0.00151139 -3.53913 63.546000 Cu 0.554035 0.90009 1.22831e-16 394 63.546 0.00268816 -3.53931 63.546000 Cu 0.562307 0.922834 2.45423e-16 431 63.546 0.00568599 -3.53849 63.546000 Cu 0.643884 0.898131 5.66406e-17 397 63.546 0.0037927 -3.53924 63.546000 Cu 0.651989 0.920929 1.10698e-16 398 63.546 0.00965966 -3.538 63.546000 Cu 0.603115 0.910572 0.5 400 63.546 0.00641571 -3.53886 63.546000 Cu 0.692797 0.908307 0.5 399 63.546 0.00454456 -3.53881 63.546000 Cu 0.733734 0.895683 0 360 63.546 0.00121714 -3.5392 63.546000 Cu 0.824005 0.893191 6.00642e-20 363 63.546 0.00460122 -3.53924 63.546000 Cu 0.83195 0.915505 2.36653e-17 364 63.546 0.0122999 -3.53811 63.546000 Cu 0.78276 0.905562 0.5 366 63.546 0.00645715 -3.53851 63.546000 Cu 0.741604 0.918249 4.5769e-17 401 63.546 0.00376299 -3.53785 63.546000 Cu 0.79057 0.927874 0.5 403 63.546 0.023709 -3.53567 63.546000 Cu 0.96384 0.901659 0.5 332 63.546 0.000916078 -3.53948 63.546000 Cu 0.873299 0.903331 0.5 365 63.546 0.00509207 -3.53913 63.546000 Cu 0.922664 0.913652 3.67954e-16 367 63.546 0.00341717 -3.5391 63.546000 Cu 0.972056 0.92418 0.5 369 63.546 0.0013085 -3.53883 63.546000 Cu 0.881371 0.925621 0.5 370 63.546 0.0110872 -3.53808 63.546000 Cu 0.111375 0.933437 4.5769e-17 334 63.546 0.0141603 -3.53736 63.546000 Cu 0.0214356 0.934872 4.5769e-17 371 63.546 0.0028622 -3.53812 63.546000 Cu 0.0299064 0.95758 4.5769e-17 372 63.546 0.00491639 -3.53606 63.546000 Cu 0.0707002 0.945673 0.5 373 63.546 0.0106719 -3.53664 63.546000 Cu 0.119759 0.956477 1 375 63.546 0.030042 -3.53307 63.546000 Cu 0.200752 0.93107 1 471 63.546 0.0125452 -3.53672 63.546000 Cu 0.208676 0.954043 1 472 63.546 0.0417424 -3.5309 63.546000 Cu 0.249284 0.940877 0.5 473 63.546 0.0156426 -3.53336 63.546000 Cu 0.160164 0.943907 0.5 474 63.546 0.0262518 -3.53497 63.546000 Cu 0.256585 0.963674 0.5 478 63.546 0.0774878 -3.5194 63.546000 Cu 0.389398 0.947814 2.45362e-16 456 63.546 0.0195889 -3.53587 63.546000 Cu 0.33984 0.937673 0.5 458 63.546 0.0370823 -3.53552 63.546000 Cu 0.298144 0.95001 6.00642e-20 475 63.546 0.100332 -3.52494 63.546000 Cu 0.347671 0.959674 0.5 477 63.546 0.101656 -3.529 63.546000 Cu 0.521436 0.934872 0.5 434 63.546 0.0028622 -3.53812 63.546000 Cu 0.430831 0.936037 0.5 457 63.546 0.00481739 -3.53803 63.546000 Cu 0.480401 0.946697 2.08543e-16 459 63.546 0.00259489 -3.53739 63.546000 Cu 0.529906 0.95758 0.5 461 63.546 0.00491639 -3.53606 63.546000 Cu 0.439181 0.95835 0.5 462 63.546 0.00789082 -3.53564 63.546000 Cu 0.5707 0.945673 1.22591e-16 432 63.546 0.0106719 -3.53664 63.546000 Cu 0.611375 0.933437 0.5 433 63.546 0.0141603 -3.53736 63.546000 Cu 0.660164 0.943907 1.43253e-16 435 63.546 0.0262518 -3.53497 63.546000 Cu 0.619759 0.956477 0.5 438 63.546 0.030042 -3.53307 63.546000 Cu 0.700752 0.93107 0.5 404 63.546 0.0125452 -3.53672 63.546000 Cu 0.708676 0.954043 0.5 437 63.546 0.0417424 -3.5309 63.546000 Cu 0.749284 0.940877 4.12041e-17 402 63.546 0.0156426 -3.53336 63.546000 Cu 0.798144 0.95001 0.5 408 63.546 0.100332 -3.52494 63.546000 Cu 0.756585 0.963674 1 439 63.546 0.0774878 -3.5194 63.546000 Cu 0.83984 0.937673 6.43889e-17 405 63.546 0.0370823 -3.53552 63.546000 Cu 0.847671 0.959674 1 406 63.546 0.101656 -3.529 63.546000 Cu 0.980401 0.946697 0.5 374 63.546 0.00259489 -3.53739 63.546000 Cu 0.930831 0.936037 4.5769e-17 368 63.546 0.00481739 -3.53803 63.546000 Cu 0.889398 0.947814 0.5 407 63.546 0.0195889 -3.53587 63.546000 Cu 0.939181 0.95835 2.41398e-16 409 63.546 0.00789082 -3.53564 63.546000 Cu 0.0793098 0.968646 0.5 377 63.546 0.0210463 -3.53316 63.546000 Cu 0.0380607 0.980342 1 413 63.546 0.0164667 -3.53568 63.546000 Cu 0.0867122 0.991632 0.5 414 63.546 0.0610369 -3.53445 63.546000 Cu 0.128658 0.979883 1.22771e-16 376 63.546 0.101009 -3.5255 63.546000 Cu 0.168337 0.967152 0.5 484 63.546 0.0732498 -3.52203 63.546000 Cu 0.216548 0.977374 2.9912e-17 485 63.546 0.260873 -3.48587 63.546000 Cu 0.177923 0.991338 0.5 488 63.546 0.562512 -3.49013 63.546000 Cu 0.263703 0.986399 0.5 487 63.546 5.49177 -3.3666 63.546000 Cu 0.30562 0.971749 1.27036e-16 476 63.546 0.428544 -3.49048 63.546000 Cu 0.397761 0.969868 1 479 63.546 0.0303977 -3.53229 63.546000 Cu 0.405187 0.991915 4.5769e-17 480 63.546 0.084284 -3.53241 63.546000 Cu 0.35595 0.981385 0.5 482 63.546 0.260738 -3.51454 63.546000 Cu 0.314877 0.992818 1 489 63.546 7.13291 -3.37723 63.546000 Cu 0.488856 0.969222 1 460 63.546 0.00618824 -3.53562 63.546000 Cu 0.538061 0.980342 0.5 466 63.546 0.0164667 -3.53568 63.546000 Cu 0.447236 0.980643 0.5 481 63.546 0.0221738 -3.53461 63.546000 Cu 0.495687 0.991794 1.33162e-16 483 63.546 0.0538409 -3.53752 63.546000 Cu 0.668337 0.967152 1.20128e-19 436 63.546 0.0732498 -3.52203 63.546000 Cu 0.57931 0.968646 1 463 63.546 0.0210463 -3.53316 63.546000 Cu 0.586712 0.991632 3.12334e-17 464 63.546 0.0610369 -3.53445 63.546000 Cu 0.628658 0.979883 0.5 465 63.546 0.101009 -3.5255 63.546000 Cu 0.677923 0.991338 1 467 63.546 0.562512 -3.49013 63.546000 Cu 0.763703 0.986399 1.22111e-16 440 63.546 5.49177 -3.3666 63.546000 Cu 0.80562 0.971749 0.5 441 63.546 0.428544 -3.49048 63.546000 Cu 0.716548 0.977374 0.5 442 63.546 0.260873 -3.48587 63.546000 Cu 0.814877 0.992818 0.5 445 63.546 7.13291 -3.37723 63.546000 Cu 0.85595 0.981385 2.02417e-16 443 63.546 0.260738 -3.51454 63.546000 Cu 0.988856 0.969222 0.5 411 63.546 0.00618824 -3.53562 63.546000 Cu 0.995687 0.991794 0.5 415 63.546 0.0538409 -3.53752 63.546000 Cu 0.947236 0.980643 4.5769e-17 410 63.546 0.0221738 -3.53461 63.546000 Cu 0.897761 0.969868 0.5 412 63.546 0.0303977 -3.53229 63.546000 Cu 0.905187 0.991915 0.5 444 63.546 0.084284 -3.53241