Number of particles = 900 A = 1 Angstrom (basic length-scale) H0(1,1) = 38.3595 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 76.8632 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61509 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 0.0249497 0.0413416 7.0627e-17 479 63.546 0.00118427 -3.53682 63.546000 Cu 0.0291665 0.00796805 3.10838e-17 482 63.546 0.0101802 -3.53766 63.546000 Cu 0.0958273 0.00821523 5.43587e-20 483 63.546 0.0105984 -3.53385 63.546000 Cu 0.0604446 0.0248423 0.5 484 63.546 0.00301909 -3.53531 63.546000 Cu 0.0913376 0.041898 1.22691e-16 504 63.546 0.00341254 -3.53478 63.546000 Cu 0.157371 0.0430054 0 505 63.546 0.034765 -3.53545 63.546000 Cu 0.126777 0.0253502 0.5 506 63.546 0.0121283 -3.53147 63.546000 Cu 0.162294 0.00871479 0 508 63.546 0.0594933 -3.5257 63.546000 Cu 0.192494 0.0269806 0.5 510 63.546 0.0991803 -3.52914 63.546000 Cu 0.227616 0.0117973 1 509 63.546 0.256349 -3.50626 63.546000 Cu 0.22279 0.0462764 4.48347e-17 538 63.546 0.0544948 -3.53404 63.546000 Cu 0.288505 0.0521982 0 539 63.546 0.0958959 -3.51296 63.546000 Cu 0.257275 0.0321193 0.5 540 63.546 0.089979 -3.51288 63.546000 Cu 0.292771 0.020271 0 542 63.546 0.527308 -3.4617 63.546000 Cu 0.328922 0.00633157 0.5 544 63.546 0.412794 -3.50245 63.546000 Cu 0.324217 0.0381665 0.5 545 63.546 0.136944 -3.52234 63.546000 Cu 0.360237 0.0229916 2.45169e-16 543 63.546 0.0283115 -3.53629 63.546000 Cu 0.395904 0.0071387 0.5 546 63.546 0.0141282 -3.53857 63.546000 Cu 0.355684 0.0553873 4.7965e-17 580 63.546 0.0254191 -3.53561 63.546000 Cu 0.391492 0.0398093 0.5 582 63.546 0.00705372 -3.53864 63.546000 Cu 0.427205 0.0237961 0 584 63.546 0.00362699 -3.53898 63.546000 Cu 0.493932 0.024276 1.66122e-16 585 63.546 0.00303724 -3.53764 63.546000 Cu 0.46259 0.00750876 0.5 586 63.546 0.0105286 -3.53871 63.546000 Cu 0.458351 0.0405891 0.5 587 63.546 0.0013479 -3.5383 63.546000 Cu 0.529244 0.00781257 0.5 588 63.546 0.0101825 -3.53755 63.546000 Cu 0.524961 0.0411606 0.5 632 63.546 0.000981247 -3.53683 63.546000 Cu 0.560478 0.0247092 2.38794e-16 634 63.546 0.00282155 -3.53543 63.546000 Cu 0.626799 0.0252858 3.56143e-20 635 63.546 0.0114606 -3.53166 63.546000 Cu 0.595883 0.00811989 0.5 636 63.546 0.0103399 -3.53395 63.546000 Cu 0.591357 0.0417981 0.5 637 63.546 0.00329068 -3.53513 63.546000 Cu 0.662313 0.00866694 0.5 638 63.546 0.0580903 -3.52561 63.546000 Cu 0.657385 0.0429644 0.5 690 63.546 0.0335184 -3.53559 63.546000 Cu 0.692506 0.0269469 1.16215e-19 692 63.546 0.0988873 -3.52912 63.546000 Cu 0.757276 0.0321116 1 693 63.546 0.0884159 -3.51267 63.546000 Cu 0.727603 0.0117678 0.5 694 63.546 0.257685 -3.50598 63.546000 Cu 0.722796 0.046254 0.5 695 63.546 0.0550188 -3.53386 63.546000 Cu 0.788471 0.0522047 0.5 458 63.546 0.0917322 -3.513 63.546000 Cu 0.828853 0.00637058 1 455 63.546 0.403718 -3.50271 63.546000 Cu 0.792733 0.0202608 0.5 456 63.546 0.512607 -3.46124 63.546000 Cu 0.824153 0.0382118 1 460 63.546 0.134074 -3.5225 63.546000 Cu 0.860157 0.0231022 0.5 462 63.546 0.0292129 -3.53647 63.546000 Cu 0.855598 0.0554858 0.5 463 63.546 0.0261061 -3.53554 63.546000 Cu 0.891419 0.0399525 1 461 63.546 0.00750485 -3.53844 63.546000 Cu 0.895828 0.00730765 1 464 63.546 0.0150163 -3.53874 63.546000 Cu 0.962521 0.00770399 3.56556e-17 465 63.546 0.0109228 -3.53886 63.546000 Cu 0.92716 0.0239813 0.5 466 63.546 0.00444573 -3.53894 63.546000 Cu 0.958332 0.0407789 1 478 63.546 0.0019084 -3.53837 63.546000 Cu 0.993907 0.0244651 0.5 480 63.546 0.00374232 -3.53779 63.546000 Cu 0.0154263 0.108034 1.22798e-16 497 63.546 0.000319376 -3.53824 63.546000 Cu 0.0202039 0.0747072 2.87783e-17 500 63.546 0.000505795 -3.53767 63.546000 Cu 0.0865361 0.0755544 1 501 63.546 0.00322062 -3.53702 63.546000 Cu 0.0557907 0.058356 0.5 502 63.546 0.000971125 -3.53661 63.546000 Cu 0.0510142 0.0918304 0.5 503 63.546 0.000893412 -3.53758 63.546000 Cu 0.0817714 0.109126 1.36834e-19 530 63.546 0.00276537 -3.53836 63.546000 Cu 0.121998 0.0592444 0.5 507 63.546 0.0110821 -3.53629 63.546000 Cu 0.117221 0.0930055 0.5 532 63.546 0.00856145 -3.53848 63.546000 Cu 0.152576 0.0770202 1.22735e-16 534 63.546 0.0203165 -3.53878 63.546000 Cu 0.218292 0.0801516 1 535 63.546 0.0182738 -3.53818 63.546000 Cu 0.187776 0.0613269 0.5 536 63.546 0.0402234 -3.53814 63.546000 Cu 0.183149 0.0952434 0.5 537 63.546 0.018063 -3.53994 63.546000 Cu 0.14789 0.110805 1.42457e-19 531 63.546 0.0117858 -3.53992 63.546000 Cu 0.253263 0.0656995 0.5 541 63.546 0.0164165 -3.53162 63.546000 Cu 0.249005 0.0990231 0.5 574 63.546 0.00441647 -3.53644 63.546000 Cu 0.284292 0.084746 1.92745e-16 576 63.546 0.0222025 -3.52982 63.546000 Cu 0.31988 0.0703847 0.5 578 63.546 0.0487636 -3.52967 63.546000 Cu 0.31547 0.102932 0.5 579 63.546 0.0176333 -3.53437 63.546000 Cu 0.422653 0.0566937 1 581 63.546 0.00278125 -3.53861 63.546000 Cu 0.351147 0.0879503 1 577 63.546 0.0168432 -3.53646 63.546000 Cu 0.386904 0.0725216 0.5 583 63.546 0.00802342 -3.5382 63.546000 Cu 0.382259 0.105323 0.5 624 63.546 0.00696472 -3.5386 63.546000 Cu 0.417974 0.0896276 1 626 63.546 0.00321247 -3.53882 63.546000 Cu 0.453684 0.0736572 0.5 628 63.546 0.0011907 -3.5385 63.546000 Cu 0.448943 0.106753 0.5 629 63.546 0.00127477 -3.53885 63.546000 Cu 0.48461 0.0906928 0 627 63.546 0.00049804 -3.53835 63.546000 Cu 0.489347 0.0574795 1.74128e-16 630 63.546 0.000621175 -3.5378 63.546000 Cu 0.520236 0.0745041 0.5 633 63.546 0.000518352 -3.53776 63.546000 Cu 0.51544 0.107838 0.5 682 63.546 0.000349782 -3.53845 63.546000 Cu 0.55103 0.0916602 6.15941e-18 684 63.546 0.00107448 -3.53783 63.546000 Cu 0.555818 0.0581993 1.2263e-16 631 63.546 0.0011725 -3.53691 63.546000 Cu 0.617238 0.0929334 9.3722e-21 685 63.546 0.00772093 -3.5385 63.546000 Cu 0.586574 0.0754406 0.5 686 63.546 0.0031712 -3.53729 63.546000 Cu 0.581753 0.109003 0.5 687 63.546 0.00268318 -3.53849 63.546000 Cu 0.622029 0.0591831 1.08717e-19 688 63.546 0.0101347 -3.53654 63.546000 Cu 0.652609 0.0769851 0.5 691 63.546 0.018844 -3.53872 63.546000 Cu 0.647873 0.110756 0.5 744 63.546 0.0109226 -3.53986 63.546000 Cu 0.687797 0.0613003 1.23713e-19 689 63.546 0.0399119 -3.53809 63.546000 Cu 0.683156 0.0952152 1.33537e-16 746 63.546 0.0178583 -3.53978 63.546000 Cu 0.748996 0.0990312 1 747 63.546 0.00414848 -3.53623 63.546000 Cu 0.718304 0.0801344 0.5 748 63.546 0.0190056 -3.53796 63.546000 Cu 0.753263 0.0656991 8.35438e-18 750 63.546 0.0160355 -3.53129 63.546000 Cu 0.784275 0.0847807 0.5 459 63.546 0.0215974 -3.5299 63.546000 Cu 0.819824 0.0704469 1 457 63.546 0.0491648 -3.52984 63.546000 Cu 0.81542 0.103019 1.33516e-17 470 63.546 0.019044 -3.53465 63.546000 Cu 0.882214 0.105434 1.93067e-19 471 63.546 0.00622311 -3.53855 63.546000 Cu 0.851095 0.0880497 0.5 472 63.546 0.0172751 -3.53647 63.546000 Cu 0.886842 0.072641 1.19964e-19 474 63.546 0.00778467 -3.53803 63.546000 Cu 0.922599 0.0568493 0.5 476 63.546 0.00288875 -3.53856 63.546000 Cu 0.953643 0.0738412 1 475 63.546 0.00146933 -3.53871 63.546000 Cu 0.917935 0.0897715 0.5 477 63.546 0.00304417 -3.53885 63.546000 Cu 0.989322 0.0576824 0.5 481 63.546 0.000888871 -3.53796 63.546000 Cu 0.948902 0.106935 1 496 63.546 0.00152929 -3.53897 63.546000 Cu 0.984577 0.0909038 0.5 498 63.546 0.000721956 -3.53841 63.546000 Cu 0.077083 0.142606 1 527 63.546 0.00235798 -3.53917 63.546000 Cu 0.0462613 0.125251 0.5 528 63.546 0.000756699 -3.53841 63.546000 Cu 0.0416247 0.158624 0.5 529 63.546 0.000645636 -3.53924 63.546000 Cu 0.107954 0.160163 0.5 566 63.546 0.0037271 -3.54005 63.546000 Cu 0.0107012 0.141337 1 526 63.546 0.000179222 -3.5389 63.546000 Cu 0.112509 0.126642 0.5 533 63.546 0.00568951 -3.53936 63.546000 Cu 0.143279 0.144417 5.63119e-17 568 63.546 0.00698111 -3.54026 63.546000 Cu 0.209359 0.14719 1.51436e-17 569 63.546 0.00347784 -3.53973 63.546000 Cu 0.178555 0.12891 0.5 570 63.546 0.00894849 -3.54025 63.546000 Cu 0.174123 0.162421 0.5 571 63.546 0.00472191 -3.5402 63.546000 Cu 0.213818 0.113753 6.56147e-17 572 63.546 0.00716314 -3.53935 63.546000 Cu 0.279965 0.117593 7.518e-17 573 63.546 0.00612208 -3.53532 63.546000 Cu 0.244615 0.132258 0.5 575 63.546 0.00161092 -3.53806 63.546000 Cu 0.240295 0.165475 0.5 616 63.546 0.000614923 -3.53859 63.546000 Cu 0.275582 0.150581 3.74888e-20 618 63.546 0.00174157 -3.53749 63.546000 Cu 0.311019 0.135725 0.5 620 63.546 0.00684324 -3.53698 63.546000 Cu 0.342087 0.153585 6.83608e-18 619 63.546 0.0060905 -3.53872 63.546000 Cu 0.346594 0.120688 1.08483e-16 622 63.546 0.00998375 -3.53772 63.546000 Cu 0.413276 0.122617 1.59908e-17 623 63.546 0.00300218 -3.53928 63.546000 Cu 0.377638 0.138246 0.5 625 63.546 0.00571375 -3.53922 63.546000 Cu 0.408676 0.155682 6.28387e-17 676 63.546 0.00268407 -3.53951 63.546000 Cu 0.444234 0.139898 0.5 678 63.546 0.00128771 -3.53931 63.546000 Cu 0.475158 0.157187 3.74888e-21 677 63.546 0.000428794 -3.53927 63.546000 Cu 0.479826 0.123926 0 680 63.546 0.000396643 -3.53904 63.546000 Cu 0.546242 0.125099 1.87444e-21 681 63.546 0.000792287 -3.53862 63.546000 Cu 0.5107 0.141178 0.5 683 63.546 0.000180822 -3.53919 63.546000 Cu 0.541565 0.158506 1.38708e-19 738 63.546 0.000488895 -3.53933 63.546000 Cu 0.607863 0.160067 1.87444e-19 739 63.546 0.00375424 -3.53993 63.546000 Cu 0.577029 0.142497 0.5 740 63.546 0.00215917 -3.5392 63.546000 Cu 0.612466 0.126558 6.75248e-17 742 63.546 0.00529791 -3.5394 63.546000 Cu 0.643234 0.144348 0.5 745 63.546 0.00691964 -3.54019 63.546000 Cu 0.674073 0.162354 9.85768e-18 792 63.546 0.00568719 -3.54013 63.546000 Cu 0.775559 0.15068 0.5 469 63.546 0.00238155 -3.53739 63.546000 Cu 0.678536 0.128867 1 743 63.546 0.00928622 -3.54018 63.546000 Cu 0.713805 0.11373 0.5 749 63.546 0.00797421 -3.53915 63.546000 Cu 0.740268 0.165518 1 793 63.546 0.000506839 -3.5385 63.546000 Cu 0.709352 0.147165 0.5 794 63.546 0.00411982 -3.53955 63.546000 Cu 0.744599 0.132282 1 796 63.546 0.00144776 -3.53778 63.546000 Cu 0.779924 0.117659 0.5 468 63.546 0.00668887 -3.53536 63.546000 Cu 0.810969 0.135839 3.44691e-17 467 63.546 0.00821268 -3.53707 63.546000 Cu 0.846533 0.120796 0.5 473 63.546 0.0101064 -3.53781 63.546000 Cu 0.842061 0.153712 0.5 490 63.546 0.00599278 -3.53869 63.546000 Cu 0.877594 0.138365 1.93067e-19 492 63.546 0.00498163 -3.53935 63.546000 Cu 0.944192 0.140072 1 493 63.546 0.00163798 -3.53939 63.546000 Cu 0.913225 0.122759 0.5 494 63.546 0.00283885 -3.53945 63.546000 Cu 0.908646 0.155841 0.5 495 63.546 0.00286772 -3.53971 63.546000 Cu 0.979792 0.124118 0.5 499 63.546 0.000572389 -3.53892 63.546000 Cu 0.975157 0.157353 0.5 524 63.546 0.000554141 -3.53913 63.546000 Cu 0.0679827 0.209377 7.46214e-17 561 63.546 0.00140508 -3.53947 63.546000 Cu 0.0371011 0.191972 0.5 562 63.546 0.000483492 -3.53945 63.546000 Cu 0.0725629 0.176031 6.70543e-17 564 63.546 0.00164482 -3.53966 63.546000 Cu 0.103461 0.19357 0.5 567 63.546 0.00280457 -3.53999 63.546000 Cu 0.006142 0.174634 1.22798e-16 523 63.546 6.55616e-05 -3.5394 63.546000 Cu 0.00156039 0.20794 2.83246e-17 560 63.546 3.07685e-05 -3.5394 63.546000 Cu 0.138852 0.177894 1.22633e-16 565 63.546 0.00450341 -3.54022 63.546000 Cu 0.134339 0.211254 1 610 63.546 0.00319886 -3.54019 63.546000 Cu 0.20063 0.213796 1.30172e-16 611 63.546 0.00168437 -3.53934 63.546000 Cu 0.169748 0.195786 0.5 612 63.546 0.00345239 -3.54004 63.546000 Cu 0.205037 0.180532 5.24281e-18 614 63.546 0.00197232 -3.53933 63.546000 Cu 0.271273 0.183667 2.24933e-20 615 63.546 0.000391553 -3.53824 63.546000 Cu 0.235963 0.198666 0.5 617 63.546 0.000513939 -3.53874 63.546000 Cu 0.306637 0.168685 0.5 621 63.546 0.00309112 -3.53833 63.546000 Cu 0.266888 0.216821 9.31315e-17 668 63.546 8.14329e-05 -3.53898 63.546000 Cu 0.333183 0.21975 8.11988e-17 669 63.546 0.00330403 -3.53962 63.546000 Cu 0.30224 0.201768 0.5 670 63.546 0.00186389 -3.53888 63.546000 Cu 0.33765 0.186612 1 672 63.546 0.00417795 -3.53911 63.546000 Cu 0.404102 0.188814 2.04801e-17 673 63.546 0.00238661 -3.53972 63.546000 Cu 0.37313 0.171257 0.5 674 63.546 0.00424558 -3.5395 63.546000 Cu 0.368605 0.204368 0.5 675 63.546 0.00324227 -3.5395 63.546000 Cu 0.439644 0.173068 0.5 679 63.546 0.00107264 -3.53953 63.546000 Cu 0.399554 0.222015 1 730 63.546 0.00219566 -3.53985 63.546000 Cu 0.435026 0.206299 0.5 732 63.546 0.00125 -3.53973 63.546000 Cu 0.470546 0.190455 0 734 63.546 0.000437673 -3.53951 63.546000 Cu 0.536945 0.191873 9.55964e-20 735 63.546 0.000242477 -3.53929 63.546000 Cu 0.506068 0.174508 0.5 736 63.546 7.25189e-05 -3.53937 63.546000 Cu 0.501451 0.20782 0.5 737 63.546 8.05407e-05 -3.53943 63.546000 Cu 0.57243 0.17593 0.5 741 63.546 0.00143895 -3.53952 63.546000 Cu 0.567862 0.209277 0.5 786 63.546 0.00120805 -3.53954 63.546000 Cu 0.603288 0.193464 2.36179e-19 788 63.546 0.00301876 -3.53995 63.546000 Cu 0.638724 0.177795 0.5 790 63.546 0.00523783 -3.54017 63.546000 Cu 0.63424 0.211137 0.5 791 63.546 0.0041337 -3.54019 63.546000 Cu 0.669613 0.195694 2.36179e-19 789 63.546 0.00483013 -3.54004 63.546000 Cu 0.771219 0.183787 0.5 486 63.546 0.000883983 -3.53838 63.546000 Cu 0.766867 0.216941 0.5 487 63.546 0.000362317 -3.53884 63.546000 Cu 0.704956 0.180502 0.5 795 63.546 0.00259946 -3.53935 63.546000 Cu 0.700572 0.213752 0.5 832 63.546 0.00244151 -3.53917 63.546000 Cu 0.735877 0.198718 1.02569e-17 834 63.546 0.000352042 -3.53876 63.546000 Cu 0.802217 0.201919 1.48081e-16 485 63.546 0.00246739 -3.53911 63.546000 Cu 0.806615 0.168825 7.1791e-18 488 63.546 0.0040256 -3.53835 63.546000 Cu 0.873118 0.171404 2.53049e-19 489 63.546 0.00393286 -3.53967 63.546000 Cu 0.837646 0.18676 0.5 491 63.546 0.00404359 -3.53938 63.546000 Cu 0.833198 0.219918 0.5 516 63.546 0.00350336 -3.53982 63.546000 Cu 0.868631 0.204546 1 518 63.546 0.00351519 -3.53991 63.546000 Cu 0.899572 0.222206 0.5 521 63.546 0.00272554 -3.53989 63.546000 Cu 0.935093 0.206476 1.61382e-16 519 63.546 0.00159185 -3.53978 63.546000 Cu 0.904127 0.188993 0.5 520 63.546 0.00285399 -3.54002 63.546000 Cu 0.939651 0.173245 3.03659e-19 522 63.546 0.00149872 -3.53964 63.546000 Cu 0.97063 0.19061 0.5 525 63.546 0.000564051 -3.53961 63.546000 Cu 0.0324396 0.225282 0.5 563 63.546 0.000307909 -3.53938 63.546000 Cu 0.058894 0.275913 1.66825e-19 603 63.546 0.0010301 -3.53967 63.546000 Cu 0.0278613 0.258576 0.5 604 63.546 0.000254545 -3.53942 63.546000 Cu 0.063323 0.242666 1 606 63.546 0.001326 -3.53969 63.546000 Cu 0.0988484 0.226878 0.5 608 63.546 0.00250731 -3.53983 63.546000 Cu 0.0943152 0.260112 0.5 609 63.546 0.00251512 -3.53979 63.546000 Cu 0.129757 0.244492 1.22757e-16 607 63.546 0.0033022 -3.53995 63.546000 Cu 0.16523 0.229056 0.5 613 63.546 0.00299455 -3.5398 63.546000 Cu 0.160778 0.262223 0.5 662 63.546 0.00360837 -3.53934 63.546000 Cu 0.19618 0.246978 1 664 63.546 0.00245099 -3.53916 63.546000 Cu 0.125385 0.277637 1 660 63.546 0.00395922 -3.53946 63.546000 Cu 0.231538 0.231866 0.5 666 63.546 0.000666229 -3.53898 63.546000 Cu 0.227212 0.265037 0.5 667 63.546 0.00137001 -3.53852 63.546000 Cu 0.262501 0.250032 1.22511e-16 665 63.546 0.000159278 -3.539 63.546000 Cu 0.297823 0.23496 0.5 671 63.546 0.00164971 -3.53961 63.546000 Cu 0.293455 0.268241 0.5 724 63.546 0.00217064 -3.53929 63.546000 Cu 0.328743 0.253011 0 726 63.546 0.00347922 -3.54006 63.546000 Cu 0.395035 0.255311 1.09696e-16 727 63.546 0.00255176 -3.54023 63.546000 Cu 0.364136 0.237588 0.5 728 63.546 0.0030496 -3.5401 63.546000 Cu 0.359661 0.27094 0.5 729 63.546 0.00401627 -3.54024 63.546000 Cu 0.430508 0.239564 0.5 733 63.546 0.00131689 -3.53986 63.546000 Cu 0.425963 0.272909 0.5 778 63.546 0.00187563 -3.53988 63.546000 Cu 0.465985 0.223731 1.22873e-16 731 63.546 0.000538482 -3.5396 63.546000 Cu 0.461444 0.25702 0 780 63.546 0.000584358 -3.53973 63.546000 Cu 0.52792 0.258445 5.007e-17 781 63.546 0.000142796 -3.53954 63.546000 Cu 0.496944 0.241113 0.5 782 63.546 0.000112852 -3.53943 63.546000 Cu 0.492407 0.274398 0.5 783 63.546 0.000217089 -3.53938 63.546000 Cu 0.53243 0.225177 2.81166e-20 784 63.546 0.000154882 -3.53954 63.546000 Cu 0.563422 0.242554 0.5 787 63.546 0.00101075 -3.53979 63.546000 Cu 0.558944 0.275768 0.5 824 63.546 0.000982414 -3.53964 63.546000 Cu 0.59887 0.226764 1.06843e-19 785 63.546 0.00263037 -3.53991 63.546000 Cu 0.594457 0.259985 1.40752e-16 826 63.546 0.00245453 -3.5398 63.546000 Cu 0.660946 0.262106 6.60834e-17 827 63.546 0.00535592 -3.53938 63.546000 Cu 0.629893 0.244366 0.5 828 63.546 0.00411641 -3.53984 63.546000 Cu 0.665266 0.228948 1.02588e-16 830 63.546 0.00461237 -3.53957 63.546000 Cu 0.625502 0.277495 0.5 829 63.546 0.00492107 -3.53948 63.546000 Cu 0.762603 0.250147 0.5 513 63.546 0.000308346 -3.53847 63.546000 Cu 0.731579 0.231915 4.68816e-17 831 63.546 0.000409971 -3.53851 63.546000 Cu 0.696309 0.246929 0.5 833 63.546 0.00326426 -3.53881 63.546000 Cu 0.727345 0.265079 0 863 63.546 0.000932668 -3.5381 63.546000 Cu 0.79357 0.268381 6.01433e-17 512 63.546 0.00233199 -3.53908 63.546000 Cu 0.797863 0.235113 1.38517e-16 514 63.546 0.00209217 -3.53933 63.546000 Cu 0.864163 0.237787 8.80986e-20 515 63.546 0.00370879 -3.5401 63.546000 Cu 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-3.49561 63.546000 Cu 0.334126 0.474352 0.5 842 63.546 0.149771 -3.51958 63.546000 Cu 0.36905 0.457501 1.98616e-17 840 63.546 0.0362835 -3.53111 63.546000 Cu 0.369094 0.491219 6.56054e-20 865 63.546 0.0366047 -3.53109 63.546000 Cu 0.436073 0.491144 1.27462e-19 866 63.546 0.0236031 -3.53838 63.546000 Cu 0.401807 0.474383 0.5 867 63.546 0.0498404 -3.53975 63.546000 Cu 0.436024 0.457699 1 868 63.546 0.0237326 -3.53878 63.546000 Cu 0.502795 0.45784 3.74719e-17 869 63.546 0.0210134 -3.53951 63.546000 Cu 0.468902 0.474452 0.5 871 63.546 0.0306401 -3.54078 63.546000 Cu 0.502839 0.491093 8.09102e-17 887 63.546 0.0212432 -3.53936 63.546000 Cu 0.535599 0.474468 0.5 889 63.546 0.0280594 -3.54031 63.546000 Cu 0.569352 0.490966 1.88771e-16 888 63.546 0.02663 -3.53855 63.546000 Cu 0.635645 0.490743 1.62876e-16 453 63.546 0.0579486 -3.53358 63.546000 Cu 0.56932 0.457972 7.31031e-20 890 63.546 0.0255972 -3.53859 63.546000 Cu 0.635585 0.458233 7.10581e-17 891 63.546 0.0575649 -3.53392 63.546000 Cu 0.602086 0.47448 0.5 893 63.546 0.0318638 -3.54097 63.546000 Cu 0.668612 0.4745 0.5 410 63.546 3.26952 -3.46688 63.546000 Cu 0.738964 0.497672 0.5 31 63.546 5.68278 -3.40868 63.546000 Cu 0.738911 0.451341 0.5 183 63.546 5.70816 -3.40689 63.546000 Cu 0.701519 0.459443 2.83829e-16 408 63.546 5.63684 -3.25788 63.546000 Cu 0.701553 0.489518 8.48484e-17 451 63.546 5.62193 -3.2591 63.546000 Cu 0.764461 0.474507 1.2275e-16 639 63.546 4.50955 -3.52117 63.546000 Cu 0.802331 0.457187 0.5 643 63.546 0.33833 -3.49565 63.546000 Cu 0.802387 0.491865 0.5 697 63.546 0.339069 -3.49564 63.546000 Cu 0.83414 0.474538 4.72865e-17 698 63.546 0.148043 -3.51959 63.546000 Cu 0.869041 0.457693 0.5 700 63.546 0.0347549 -3.53116 63.546000 Cu 0.869089 0.491431 0.5 701 63.546 0.0364464 -3.53097 63.546000 Cu 0.901785 0.474565 0 699 63.546 0.0491766 -3.53976 63.546000 Cu 0.935987 0.457827 0.5 705 63.546 0.022457 -3.53867 63.546000 Cu 0.93602 0.491282 0.5 751 63.546 0.0248113 -3.53843 63.546000 Cu 0.968845 0.474565 3.11888e-17 752 63.546 0.0309014 -3.54077 63.546000 Cu 0.0375088 0.50774 0 3 63.546 0.0108545 -3.53816 63.546000 Cu 0.072917 0.524046 0.5 7 63.546 0.00460003 -3.53849 63.546000 Cu 0.0062235 0.524462 0.5 16 63.546 0.00311361 -3.53727 63.546000 Cu 0.0418155 0.540805 3.13837e-17 18 63.546 0.00172013 -3.53794 63.546000 Cu 0.104145 0.507396 1 4 63.546 0.0164689 -3.53832 63.546000 Cu 0.108715 0.540035 3.74888e-20 5 63.546 0.00877987 -3.53859 63.546000 Cu 0.171105 0.506456 1 1 63.546 0.423179 -3.50223 63.546000 Cu 0.207352 0.520323 0.5 2 63.546 0.546422 -3.45983 63.546000 Cu 0.139899 0.523179 0.5 6 63.546 0.0299961 -3.53603 63.546000 Cu 0.175982 0.538271 1.74323e-19 8 63.546 0.138646 -3.52191 63.546000 Cu 0.144577 0.555548 0.5 11 63.546 0.0268373 -3.53548 63.546000 Cu 0.211727 0.552235 0.5 10 63.546 0.0991919 -3.51206 63.546000 Cu 0.242882 0.532064 1 184 63.546 0.0932367 -3.51158 63.546000 Cu 0.272453 0.511672 0.5 185 63.546 0.260257 -3.50684 63.546000 Cu 0.307633 0.526803 2.28682e-19 186 63.546 0.103743 -3.52921 63.546000 Cu 0.27736 0.546157 0.5 189 63.546 0.0567012 -3.53334 63.546000 Cu 0.373363 0.525134 5.99821e-20 133 63.546 0.0126101 -3.53178 63.546000 Cu 0.404304 0.507983 0.5 134 63.546 0.0100853 -3.53392 63.546000 Cu 0.337827 0.50852 0.5 135 63.546 0.0597682 -3.52607 63.546000 Cu 0.408797 0.541678 0.5 139 63.546 0.00379174 -3.53487 63.546000 Cu 0.342758 0.542793 0.5 188 63.546 0.0376497 -3.5355 63.546000 Cu 0.439694 0.52465 6.9373e-18 136 63.546 0.00272538 -3.53518 63.546000 Cu 0.506253 0.524331 1.22763e-16 91 63.546 0.00299619 -3.53747 63.546000 Cu 0.537585 0.507599 0.5 92 63.546 0.0100584 -3.53842 63.546000 Cu 0.470941 0.507805 0.5 93 63.546 0.00936157 -3.53732 63.546000 Cu 0.541826 0.540659 0.5 97 63.546 0.00152873 -3.53828 63.546000 Cu 0.475179 0.541162 0.5 138 63.546 0.00113263 -3.53673 63.546000 Cu 0.63998 0.523105 7.44715e-18 57 63.546 0.0298559 -3.53603 63.546000 Cu 0.604268 0.507271 0.5 59 63.546 0.0142495 -3.53824 63.546000 Cu 0.572984 0.523894 1 94 63.546 0.00368238 -3.53852 63.546000 Cu 0.608738 0.539911 0.5 96 63.546 0.00744931 -3.53834 63.546000 Cu 0.644556 0.555492 6.37309e-20 98 63.546 0.0281333 -3.53554 63.546000 Cu 0.671244 0.506414 0.5 58 63.546 0.415499 -3.50279 63.546000 Cu 0.707436 0.520327 4.49865e-20 60 63.546 0.534503 -3.46203 63.546000 Cu 0.711686 0.552228 8.09945e-18 61 63.546 0.0933363 -3.51205 63.546000 Cu 0.742917 0.532116 0.5 62 63.546 0.0939763 -3.51182 63.546000 Cu 0.676009 0.53825 0.5 63 63.546 0.141548 -3.52217 63.546000 Cu 0.77256 0.511787 1.00262e-16 696 63.546 0.263138 -3.5068 63.546000 Cu 0.777374 0.546266 1.08481e-16 64 63.546 0.0574884 -3.53412 63.546000 Cu 0.837875 0.508731 5.75228e-17 32 63.546 0.0556962 -3.52565 63.546000 Cu 0.842788 0.543022 1 33 63.546 0.0324915 -3.53551 63.546000 Cu 0.873384 0.525357 0.5 34 63.546 0.0108729 -3.53169 63.546000 Cu 0.807699 0.526997 0.5 35 63.546 0.0968342 -3.52932 63.546000 Cu 0.904297 0.508174 1.12466e-16 13 63.546 0.00980463 -3.53391 63.546000 Cu 0.970905 0.507924 5.36127e-17 14 63.546 0.00951157 -3.53722 63.546000 Cu 0.975194 0.541289 0 15 63.546 0.00120159 -3.53668 63.546000 Cu 0.939689 0.524784 0.5 17 63.546 0.00299655 -3.53533 63.546000 Cu 0.908815 0.54186 1.75631e-16 36 63.546 0.00371482 -3.53508 63.546000 Cu 0.0775693 0.556919 0.5 20 63.546 0.00365002 -3.53859 63.546000 Cu 0.0465404 0.573852 1.57453e-19 19 63.546 0.0014325 -3.53831 63.546000 Cu 0.0108521 0.557664 0.5 21 63.546 0.00077784 -3.53756 63.546000 Cu 0.0822875 0.589835 0.5 25 63.546 0.00413668 -3.53882 63.546000 Cu 0.0156356 0.590864 0.5 42 63.546 0.000552427 -3.53821 63.546000 Cu 0.051308 0.606935 1.57453e-19 44 63.546 0.00147703 -3.5387 63.546000 Cu 0.180382 0.570478 7.6852e-20 9 63.546 0.0487929 -3.52945 63.546000 Cu 0.113371 0.572724 1.29486e-17 22 63.546 0.00977245 -3.53835 63.546000 Cu 0.117992 0.605516 4.82106e-18 23 63.546 0.00839535 -3.53858 63.546000 Cu 0.149132 0.588101 0.5 24 63.546 0.0176892 -3.53636 63.546000 Cu 0.184737 0.60304 1.687e-19 26 63.546 0.0179951 -3.53422 63.546000 Cu 0.215925 0.584797 0.5 12 63.546 0.0234026 -3.5293 63.546000 Cu 0.312332 0.561156 8.49065e-17 187 63.546 0.0439297 -3.53777 63.546000 Cu 0.246921 0.565677 1 241 63.546 0.0164159 -3.53064 63.546000 Cu 0.251127 0.599027 1 242 63.546 0.00413524 -3.5358 63.546000 Cu 0.281832 0.580066 0.5 243 63.546 0.0184515 -3.53726 63.546000 Cu 0.316918 0.59508 4.30802e-17 244 63.546 0.0208607 -3.53954 63.546000 Cu 0.378088 0.559028 5.95134e-17 190 63.546 0.0120844 -3.5364 63.546000 Cu 0.382831 0.592782 1.7218e-16 191 63.546 0.00953635 -3.53853 63.546000 Cu 0.413522 0.575324 0.5 192 63.546 0.00393738 -3.53703 63.546000 Cu 0.347483 0.576817 0.5 193 63.546 0.0226923 -3.53859 63.546000 Cu 0.418304 0.60889 0.5 197 63.546 0.00332038 -3.53849 63.546000 Cu 0.444298 0.558155 1.22643e-16 137 63.546 0.00115566 -3.5365 63.546000 Cu 0.352169 0.610592 0.5 246 63.546 0.0141588 -3.53998 63.546000 Cu 0.510798 0.557533 6.17965e-17 140 63.546 0.00085808 -3.53782 63.546000 Cu 0.515532 0.590739 1 141 63.546 0.000647262 -3.53828 63.546000 Cu 0.479881 0.574506 0.5 143 63.546 0.000521694 -3.53756 63.546000 Cu 0.449066 0.591613 1.48343e-17 194 63.546 0.00101447 -3.5377 63.546000 Cu 0.484688 0.607837 0.5 196 63.546 0.000310826 -3.53828 63.546000 Cu 0.546468 0.573713 0.5 142 63.546 0.00137602 -3.53859 63.546000 Cu 0.551228 0.606811 0.5 147 63.546 0.00149196 -3.53875 63.546000 Cu 0.57754 0.556764 1.61202e-19 95 63.546 0.00262839 -3.53854 63.546000 Cu 0.649036 0.58805 2.56142e-17 99 63.546 0.0187613 -3.53642 63.546000 Cu 0.613297 0.572601 0.5 101 63.546 0.00800275 -3.53807 63.546000 Cu 0.582175 0.58968 6.18565e-20 144 63.546 0.0028981 -3.53874 63.546000 Cu 0.617892 0.605398 0.5 146 63.546 0.00681313 -3.53835 63.546000 Cu 0.746877 0.565707 0.5 67 63.546 0.0164987 -3.53119 63.546000 Cu 0.680322 0.57048 0.5 100 63.546 0.0533233 -3.52972 63.546000 Cu 0.715867 0.584806 2.04801e-17 102 63.546 0.0226869 -3.52952 63.546000 Cu 0.751139 0.599037 0.5 104 63.546 0.00467423 -3.53638 63.546000 Cu 0.684707 0.603039 0.5 105 63.546 0.0210087 -3.53442 63.546000 Cu 0.781819 0.580146 1 65 63.546 0.0199375 -3.53815 63.546000 Cu 0.812349 0.561345 0.5 66 63.546 0.0386398 -3.53823 63.546000 Cu 0.847536 0.577026 1 68 63.546 0.0186997 -3.53886 63.546000 Cu 0.816985 0.595245 0.5 71 63.546 0.0174787 -3.54011 63.546000 Cu 0.878145 0.559242 0.5 39 63.546 0.0101564 -3.5366 63.546000 Cu 0.882935 0.592976 0.5 70 63.546 0.00807593 -3.53861 63.546000 Cu 0.852279 0.610786 7.25764e-17 69 63.546 0.0112227 -3.53989 63.546000 Cu 0.913605 0.575494 1.21164e-16 37 63.546 0.0037732 -3.53734 63.546000 Cu 0.944363 0.558287 0.5 38 63.546 0.00140282 -3.53672 63.546000 Cu 0.979963 0.574636 1.22667e-16 40 63.546 0.000548257 -3.53762 63.546000 Cu 0.984768 0.607958 1 41 63.546 0.000381554 -3.5384 63.546000 Cu 0.949165 0.591747 0.5 43 63.546 0.00129332 -3.53791 63.546000 Cu 0.918407 0.609054 2.09937e-19 72 63.546 0.00313714 -3.53851 63.546000 Cu 0.0559127 0.640065 2.03885e-16 45 63.546 0.00144955 -3.53923 63.546000 Cu 0.0869175 0.622815 0.5 46 63.546 0.00394819 -3.53921 63.546000 Cu 0.0203599 0.62407 0.5 47 63.546 0.000446399 -3.53885 63.546000 Cu 0.0914244 0.655885 0.5 51 63.546 0.00374572 -3.53952 63.546000 Cu 0.0249267 0.657316 0.5 78 63.546 0.000422405 -3.53917 63.546000 Cu 0.189096 0.635855 4.91665e-17 27 63.546 0.00747427 -3.53691 63.546000 Cu 0.153589 0.620844 0.5 29 63.546 0.0104133 -3.53763 63.546000 Cu 0.122496 0.638437 6.13279e-17 48 63.546 0.00687598 -3.53914 63.546000 Cu 0.157977 0.653751 0.5 50 63.546 0.00626299 -3.53867 63.546000 Cu 0.220172 0.617673 0.5 28 63.546 0.00709632 -3.53521 63.546000 Cu 0.224456 0.650683 0.5 30 63.546 0.00241309 -3.53748 63.546000 Cu 0.321485 0.628741 1.57277e-16 245 63.546 0.0111999 -3.54006 63.546000 Cu 0.286264 0.613682 0.5 247 63.546 0.00707121 -3.53874 63.546000 Cu 0.255463 0.632284 0 295 63.546 0.00134333 -3.53758 63.546000 Cu 0.259732 0.665505 2.37355e-16 296 63.546 0.00042232 -3.53816 63.546000 Cu 0.290682 0.647105 0.5 297 63.546 0.00378791 -3.53918 63.546000 Cu 0.32589 0.662221 2.12483e-16 298 63.546 0.00740322 -3.53997 63.546000 Cu 0.387566 0.626404 7.13037e-18 248 63.546 0.00683472 -3.53953 63.546000 Cu 0.392065 0.659919 1.3517e-16 249 63.546 0.00480871 -3.53999 63.546000 Cu 0.422989 0.642376 0.5 250 63.546 0.00277462 -3.53914 63.546000 Cu 0.356788 0.644184 0.5 251 63.546 0.00937684 -3.54038 63.546000 Cu 0.453832 0.62503 2.5468e-17 195 63.546 0.000951428 -3.53848 63.546000 Cu 0.520295 0.623958 7.6852e-20 198 63.546 0.000631307 -3.53881 63.546000 Cu 0.524824 0.657189 1 199 63.546 0.000499068 -3.53922 63.546000 Cu 0.489337 0.64115 0.5 201 63.546 0.000274067 -3.53888 63.546000 Cu 0.458374 0.658429 1 252 63.546 0.000599176 -3.53917 63.546000 Cu 0.586867 0.622668 3.67915e-17 145 63.546 0.00274868 -3.53913 63.546000 Cu 0.653567 0.620783 1.48081e-19 148 63.546 0.0111241 -3.53762 63.546000 Cu 0.622483 0.638309 0.5 151 63.546 0.00542167 -3.53917 63.546000 Cu 0.555864 0.639942 0.5 200 63.546 0.00157543 -3.53939 63.546000 Cu 0.59139 0.655736 1 202 63.546 0.00279391 -3.53986 63.546000 Cu 0.658013 0.653671 1.14341e-19 149 63.546 0.00648724 -3.53875 63.546000 Cu 0.720223 0.617661 2.1556e-19 103 63.546 0.00678962 -3.53524 63.546000 Cu 0.755543 0.632288 0.5 109 63.546 0.00165671 -3.5379 63.546000 Cu 0.689149 0.635832 0.5 150 63.546 0.00898488 -3.5369 63.546000 Cu 0.724555 0.650666 5.65762e-17 152 63.546 0.00244482 -3.53742 63.546000 Cu 0.759803 0.665524 0.5 154 63.546 0.000694342 -3.53843 63.546000 Cu 0.786345 0.613757 7.49776e-20 106 63.546 0.00755628 -3.53938 63.546000 Cu 0.790781 0.647191 1.42457e-19 107 63.546 0.00382349 -3.53945 63.546000 Cu 0.821575 0.628898 0.5 108 63.546 0.00873344 -3.54005 63.546000 Cu 0.856865 0.644365 7.67845e-17 110 63.546 0.00743322 -3.5402 63.546000 Cu 0.82598 0.662389 0.5 113 63.546 0.00515171 -3.54005 63.546000 Cu 0.887667 0.626583 0.5 75 63.546 0.00600333 -3.53939 63.546000 Cu 0.989432 0.641277 1 76 63.546 0.000208633 -3.53893 63.546000 Cu 0.923078 0.642531 1 73 63.546 0.00260379 -3.53918 63.546000 Cu 0.953922 0.625167 0.5 74 63.546 0.000984876 -3.53862 63.546000 Cu 0.958501 0.658556 0.5 79 63.546 0.000721888 -3.53917 63.546000 Cu 0.892185 0.66008 0.5 112 63.546 0.00454519 -3.54001 63.546000 Cu 0.0603625 0.673247 2.11812e-19 80 63.546 0.00144683 -3.53961 63.546000 Cu 0.0647012 0.706486 2.11812e-19 81 63.546 0.00166819 -3.5399 63.546000 Cu 0.0958021 0.689033 0.5 82 63.546 0.00358107 -3.5398 63.546000 Cu 0.0293188 0.690586 0.5 83 63.546 0.000474955 -3.53966 63.546000 Cu 0.126883 0.671469 1.61202e-19 49 63.546 0.0053581 -3.53957 63.546000 Cu 0.19339 0.66884 6.23701e-17 52 63.546 0.00381189 -3.53847 63.546000 Cu 0.197588 0.701938 8.65728e-17 53 63.546 0.00253733 -3.53886 63.546000 Cu 0.162308 0.6868 0.5 55 63.546 0.0045839 -3.53931 63.546000 Cu 0.131184 0.704587 1.93067e-19 84 63.546 0.00404913 -3.53978 63.546000 Cu 0.166455 0.719965 0.5 86 63.546 0.00405958 -3.53979 63.546000 Cu 0.228713 0.683788 0.5 54 63.546 0.00114488 -3.53792 63.546000 Cu 0.232763 0.716953 0.5 56 63.546 0.000438244 -3.53835 63.546000 Cu 0.294926 0.680435 0.5 301 63.546 0.00272222 -3.5387 63.546000 Cu 0.26389 0.698703 1.19977e-16 341 63.546 0.00026219 -3.538 63.546000 Cu 0.299056 0.713709 0.5 343 63.546 0.00229035 -3.5389 63.546000 Cu 0.330101 0.695604 1.33085e-19 299 63.546 0.00519548 -3.5397 63.546000 Cu 0.427349 0.675808 0.5 255 63.546 0.00193864 -3.53965 63.546000 Cu 0.361073 0.677657 0.5 300 63.546 0.00641157 -3.54006 63.546000 Cu 0.396343 0.693334 2.25495e-17 302 63.546 0.00361306 -3.54007 63.546000 Cu 0.431744 0.709149 0.5 304 63.546 0.00164612 -3.53987 63.546000 Cu 0.365351 0.711023 0.5 305 63.546 0.00484968 -3.54026 63.546000 Cu 0.462744 0.691768 1 253 63.546 0.000443946 -3.53953 63.546000 Cu 0.493787 0.674461 0.5 254 63.546 8.05827e-05 -3.53938 63.546000 Cu 0.529249 0.690431 1.59327e-19 256 63.546 0.000350848 -3.53964 63.546000 Cu 0.498231 0.707749 0.5 259 63.546 0.000117501 -3.53943 63.546000 Cu 0.595772 0.688881 1.12466e-20 203 63.546 0.00296339 -3.54002 63.546000 Cu 0.62687 0.671332 0.5 204 63.546 0.00433446 -3.5398 63.546000 Cu 0.560305 0.673103 0.5 205 63.546 0.00128253 -3.53978 63.546000 Cu 0.631133 0.704467 0.5 209 63.546 0.0038288 -3.5397 63.546000 Cu 0.564698 0.706332 0.5 258 63.546 0.00155271 -3.53992 63.546000 Cu 0.600021 0.72212 5.1697e-17 260 63.546 0.00326206 -3.54014 63.546000 Cu 0.662256 0.686706 1.76197e-19 206 63.546 0.00435977 -3.53907 63.546000 Cu 0.666384 0.719861 6.65595e-17 207 63.546 0.00335023 -3.53926 63.546000 Cu 0.728686 0.683765 1 153 63.546 0.000772995 -3.53806 63.546000 Cu 0.693429 0.668795 0.5 155 63.546 0.00429081 -3.53818 63.546000 Cu 0.763862 0.698737 0.5 159 63.546 0.000248631 -3.53874 63.546000 Cu 0.69752 0.70188 0.5 208 63.546 0.00230654 -3.53861 63.546000 Cu 0.732721 0.716931 1 210 63.546 0.000333659 -3.5385 63.546000 Cu 0.861205 0.677827 1.22862e-16 111 63.546 0.00510509 -3.54019 63.546000 Cu 0.794959 0.680537 1 156 63.546 0.00214242 -3.53931 63.546000 Cu 0.799022 0.713802 1 157 63.546 0.00169526 -3.53906 63.546000 Cu 0.830161 0.695743 0.5 158 63.546 0.00397915 -3.53984 63.546000 Cu 0.865366 0.711153 1.61202e-19 160 63.546 0.00458386 -3.54003 63.546000 Cu 0.993909 0.674585 2.39778e-17 77 63.546 9.46083e-05 -3.53935 63.546000 Cu 0.998232 0.707905 7.1298e-17 118 63.546 3.16469e-05 -3.53957 63.546000 Cu 0.927519 0.675949 1.81202e-17 114 63.546 0.00197776 -3.53962 63.546000 Cu 0.931788 0.70929 8.88653e-17 115 63.546 0.00171418 -3.53978 63.546000 Cu 0.962876 0.691912 0.5 116 63.546 0.000434718 -3.53947 63.546000 Cu 0.896495 0.693474 0.5 117 63.546 0.00369832 -3.54 63.546000 Cu 0.10005 0.722242 0.5 87 63.546 0.00302749 -3.54008 63.546000 Cu 0.00248892 0.741202 2.62421e-20 119 63.546 5.2197e-05 -3.53957 63.546000 Cu 0.0335688 0.723876 0.5 120 63.546 0.000652967 -3.53975 63.546000 Cu 0.0689791 0.739766 1.29336e-19 122 63.546 0.00182134 -3.5399 63.546000 Cu 0.0732605 0.773091 1.26798e-16 123 63.546 0.0018291 -3.53969 63.546000 Cu 0.0379183 0.757171 0.5 125 63.546 0.00071642 -3.53965 63.546000 Cu 0.00681199 0.774492 0 168 63.546 0.000120915 -3.53934 63.546000 Cu 0.104353 0.755537 0.5 124 63.546 0.00310762 -3.54006 63.546000 Cu 0.135403 0.737833 7.25071e-17 85 63.546 0.00409394 -3.54019 63.546000 Cu 0.201679 0.735154 1.89318e-19 88 63.546 0.0026837 -3.53919 63.546000 Cu 0.20575 0.768457 3.86134e-19 89 63.546 0.00395512 -3.53869 63.546000 Cu 0.170651 0.753256 0.5 90 63.546 0.00513365 -3.54003 63.546000 Cu 0.139562 0.771199 1.59327e-19 126 63.546 0.00534991 -3.54031 63.546000 Cu 0.267953 0.731885 2.38729e-17 342 63.546 0.000520069 -3.53809 63.546000 Cu 0.303167 0.746872 0.5 347 63.546 0.00333242 -3.53845 63.546000 Cu 0.236849 0.750148 0.5 379 63.546 0.000370076 -3.538 63.546000 Cu 0.271991 0.765034 2.09937e-19 380 63.546 0.00147225 -3.5374 63.546000 Cu 0.400708 0.726649 1.2289e-16 303 63.546 0.00288322 -3.54014 63.546000 Cu 0.334298 0.72887 5.87262e-18 344 63.546 0.00475565 -3.5397 63.546000 Cu 0.338423 0.762028 9.02317e-17 345 63.546 0.00537985 -3.53925 63.546000 Cu 0.369599 0.744262 0.5 346 63.546 0.0046166 -3.54 63.546000 Cu 0.40492 0.759885 2.54924e-19 348 63.546 0.00270392 -3.5398 63.546000 Cu 0.436042 0.742434 0.5 309 63.546 0.00140788 -3.53977 63.546000 Cu 0.440321 0.775687 0.5 350 63.546 0.00124134 -3.53961 63.546000 Cu 0.373787 0.777403 0.5 351 63.546 0.00521265 -3.53972 63.546000 Cu 0.533601 0.723717 1.22894e-16 257 63.546 0.00052297 -3.53963 63.546000 Cu 0.467145 0.725058 4.67335e-17 306 63.546 0.000546419 -3.53945 63.546000 Cu 0.471384 0.758352 2.493e-19 307 63.546 0.000476054 -3.53945 63.546000 Cu 0.502474 0.741044 0.5 308 63.546 2.28941e-05 -3.53926 63.546000 Cu 0.537797 0.75705 1 310 63.546 0.000729821 -3.53937 63.546000 Cu 0.506778 0.774363 0.5 313 63.546 9.2386e-05 -3.53922 63.546000 Cu 0.604149 0.755454 2.21184e-19 261 63.546 0.00402037 -3.54003 63.546000 Cu 0.635235 0.737729 0.5 262 63.546 0.00415048 -3.53998 63.546000 Cu 0.568884 0.739647 0.5 263 63.546 0.00201539 -3.53989 63.546000 Cu 0.639467 0.771087 0.5 267 63.546 0.00508965 -3.54029 63.546000 Cu 0.573179 0.773014 0.5 312 63.546 0.00249227 -3.53959 63.546000 Cu 0.736705 0.750136 8.24753e-20 211 63.546 0.000365575 -3.53881 63.546000 Cu 0.701533 0.735066 0.5 213 63.546 0.00162007 -3.5389 63.546000 Cu 0.67044 0.753127 2.24933e-20 264 63.546 0.00335355 -3.53984 63.546000 Cu 0.7057 0.768339 0.5 266 63.546 0.00179015 -3.53935 63.546000 Cu 0.767843 0.731945 0.5 212 63.546 0.000275971 -3.53852 63.546000 Cu 0.771956 0.765126 0.5 217 63.546 0.000600295 -3.53836 63.546000 Cu 0.869478 0.744392 1.19795e-17 161 63.546 0.00457389 -3.54 63.546000 Cu 0.834189 0.728998 0.5 163 63.546 0.00396961 -3.53959 63.546000 Cu 0.803034 0.746996 1 214 63.546 0.00230161 -3.53895 63.546000 Cu 0.838364 0.762168 0.5 216 63.546 0.00450402 -3.5393 63.546000 Cu 0.873765 0.777535 8.06009e-20 218 63.546 0.00514467 -3.53959 63.546000 Cu 0.967092 0.725223 0.5 121 63.546 0.000336962 -3.53962 63.546000 Cu 0.900612 0.726777 0.5 162 63.546 0.00326293 -3.54006 63.546000 Cu 0.935966 0.742569 3.13219e-17 164 63.546 0.0016145 -3.53995 63.546000 Cu 0.940294 0.775802 6.74798e-20 165 63.546 0.0013496 -3.53972 63.546000 Cu 0.971412 0.758498 0.5 166 63.546 0.000246182 -3.53976 63.546000 Cu 0.904862 0.759999 0.5 167 63.546 0.00328564 -3.53998 63.546000 Cu 0.0112001 0.807789 7.20497e-17 169 63.546 0.000306736 -3.53875 63.546000 Cu 0.0421856 0.7905 0.5 170 63.546 0.000905741 -3.5392 63.546000 Cu 0.0775686 0.806514 1 172 63.546 0.00242121 -3.53929 63.546000 Cu 0.0467111 0.823897 0.5 175 63.546 0.00103174 -3.53855 63.546000 Cu 0.108503 0.788945 0.5 129 63.546 0.00393402 -3.53996 63.546000 Cu 0.143744 0.804694 1.74604e-17 127 63.546 0.00879777 -3.54031 63.546000 Cu 0.174683 0.786663 0.5 128 63.546 0.00808388 -3.53998 63.546000 Cu 0.178978 0.820166 0.5 132 63.546 0.0128692 -3.53991 63.546000 Cu 0.112939 0.82249 0.5 174 63.546 0.00611096 -3.53956 63.546000 Cu 0.209835 0.801791 1 130 63.546 0.00542037 -3.53892 63.546000 Cu 0.276102 0.798112 1 381 63.546 0.00364553 -3.53714 63.546000 Cu 0.307239 0.779947 0.5 382 63.546 0.00590725 -3.53819 63.546000 Cu 0.240836 0.783357 0.5 383 63.546 0.000795187 -3.53757 63.546000 Cu 0.311499 0.812918 0.5 387 63.546 0.0104465 -3.53681 63.546000 Cu 0.245064 0.816554 0.5 411 63.546 0.00132997 -3.53692 63.546000 Cu 0.280335 0.831088 1 412 63.546 0.00965035 -3.53475 63.546000 Cu 0.409249 0.793033 2.51175e-19 349 63.546 0.00312519 -3.53974 63.546000 Cu 0.342656 0.795073 1 384 63.546 0.00716653 -3.5389 63.546000 Cu 0.346985 0.827984 2.28682e-19 385 63.546 0.0115652 -3.53782 63.546000 Cu 0.378128 0.810458 0.5 386 63.546 0.00581721 -3.53933 63.546000 Cu 0.413668 0.826129 1 388 63.546 0.00301864 -3.5395 63.546000 Cu 0.542218 0.790412 1.49955e-19 311 63.546 0.000817719 -3.53923 63.546000 Cu 0.475785 0.791635 1.36834e-19 352 63.546 0.000359756 -3.53932 63.546000 Cu 0.480258 0.824896 1.30963e-16 353 63.546 0.000386081 -3.53882 63.546000 Cu 0.511241 0.807693 0.5 354 63.546 0.000173789 -3.539 63.546000 Cu 0.444745 0.808883 0.5 355 63.546 0.00123286 -3.53941 63.546000 Cu 0.546704 0.823814 2.82178e-16 356 63.546 0.001127 -3.53867 63.546000 Cu 0.608535 0.788866 1.01321e-16 314 63.546 0.00491258 -3.53996 63.546000 Cu 0.612992 0.822374 8.98456e-17 315 63.546 0.00644625 -3.53959 63.546000 Cu 0.643847 0.80455 0.5 316 63.546 0.00703027 -3.54022 63.546000 Cu 0.577621 0.80644 0.5 317 63.546 0.00305541 -3.53936 63.546000 Cu 0.674753 0.786497 9.74708e-20 265 63.546 0.00434484 -3.5401 63.546000 Cu 0.74092 0.783359 8.64866e-17 268 63.546 0.00047212 -3.53849 63.546000 Cu 0.745113 0.816605 4.63699e-17 269 63.546 0.00159722 -3.53763 63.546000 Cu 0.709955 0.801685 0.5 271 63.546 0.00291174 -3.53937 63.546000 Cu 0.679065 0.820002 1.32292e-16 318 63.546 0.00793423 -3.53999 63.546000 Cu 0.776163 0.798246 0.5 270 63.546 0.00178767 -3.5373 63.546000 Cu 0.80727 0.780096 1.22607e-16 215 63.546 0.00388799 -3.53816 63.546000 Cu 0.842649 0.795221 0.5 221 63.546 0.00668374 -3.53853 63.546000 Cu 0.811499 0.813088 1 272 63.546 0.007977 -3.53659 63.546000 Cu 0.846996 0.828122 0.5 274 63.546 0.0116012 -3.53764 63.546000 Cu 0.780352 0.83125 0.5 275 63.546 0.00645772 -3.53501 63.546000 Cu 0.878116 0.810591 1 219 63.546 0.00600644 -3.53919 63.546000 Cu 0.975733 0.791748 0.5 171 63.546 0.000346424 -3.53907 63.546000 Cu 0.909211 0.793155 0.5 220 63.546 0.00328136 -3.53972 63.546000 Cu 0.944711 0.808993 1.0122e-19 222 63.546 0.00131206 -3.53923 63.546000 Cu 0.980271 0.82499 0.5 224 63.546 0.000410733 -3.53867 63.546000 Cu 0.913704 0.826241 0.5 225 63.546 0.00311642 -3.53937 63.546000 Cu 0.0821398 0.840042 1 173 63.546 0.00334192 -3.53858 63.546000 Cu 0.0158372 0.841115 1 226 63.546 0.000476545 -3.53834 63.546000 Cu 0.0203673 0.874476 0 227 63.546 0.000598731 -3.53763 63.546000 Cu 0.0512953 0.857358 0.5 228 63.546 0.00130386 -3.53775 63.546000 Cu 0.0866538 0.87366 6.76747e-17 230 63.546 0.00436122 -3.53734 63.546000 Cu 0.14823 0.838317 3.74888e-20 176 63.546 0.0142763 -3.53983 63.546000 Cu 0.152696 0.872103 4.87354e-20 177 63.546 0.023557 -3.53901 63.546000 Cu 0.183394 0.853803 0.5 178 63.546 0.0215607 -3.53938 63.546000 Cu 0.117463 0.856163 0.5 179 63.546 0.0100428 -3.53877 63.546000 Cu 0.187831 0.887681 0.5 182 63.546 0.041683 -3.53783 63.546000 Cu 0.21417 0.835194 3.03453e-17 131 63.546 0.00842163 -3.53812 63.546000 Cu 0.218464 0.868747 1 180 63.546 0.017196 -3.53706 63.546000 Cu 0.284476 0.863964 1.687e-19 413 63.546 0.0264615 -3.52937 63.546000 Cu 0.315764 0.845733 0.5 414 63.546 0.0224943 -3.53479 63.546000 Cu 0.249292 0.849767 0.5 415 63.546 0.00348866 -3.53518 63.546000 Cu 0.319923 0.878325 0.5 419 63.546 0.0543415 -3.52984 63.546000 Cu 0.253351 0.883088 0.5 433 63.546 0.0142904 -3.5301 63.546000 Cu 0.418169 0.859166 1 389 63.546 0.00275731 -3.53894 63.546000 Cu 0.382567 0.843418 0.5 391 63.546 0.00654575 -3.53899 63.546000 Cu 0.351321 0.860768 1.74323e-19 416 63.546 0.0182768 -3.53679 63.546000 Cu 0.386986 0.876252 0.5 418 63.546 0.00749807 -3.53808 63.546000 Cu 0.515791 0.841025 0.5 359 63.546 0.000338771 -3.53842 63.546000 Cu 0.449247 0.842036 0.5 390 63.546 0.00128679 -3.53903 63.546000 Cu 0.48482 0.858134 1.44332e-19 392 63.546 0.000511778 -3.53856 63.546000 Cu 0.520383 0.874371 0.5 394 63.546 0.000560242 -3.53779 63.546000 Cu 0.45378 0.875152 0.5 395 63.546 0.0013161 -3.53858 63.546000 Cu 0.551303 0.857248 4.87354e-20 357 63.546 0.00137278 -3.5379 63.546000 Cu 0.648294 0.83815 0.5 321 63.546 0.0110302 -3.53978 63.546000 Cu 0.582146 0.839932 0.5 358 63.546 0.00362478 -3.53865 63.546000 Cu 0.617533 0.856003 9.3722e-20 360 63.546 0.00885469 -3.5387 63.546000 Cu 0.652773 0.871946 0.5 362 63.546 0.0196179 -3.53884 63.546000 Cu 0.586726 0.873507 0.5 363 63.546 0.00402925 -3.53736 63.546000 Cu 0.683451 0.853678 1.44332e-19 319 63.546 0.0170094 -3.5396 63.546000 Cu 0.71421 0.835141 0.5 320 63.546 0.00697669 -3.53897 63.546000 Cu 0.749311 0.849859 0 322 63.546 0.00446002 -3.53599 63.546000 Cu 0.753368 0.883174 1.23713e-19 323 63.546 0.0163117 -3.53047 63.546000 Cu 0.718489 0.868746 0.5 325 63.546 0.0178543 -3.53775 63.546000 Cu 0.687851 0.887614 2.90838e-17 364 63.546 0.0398822 -3.53796 63.546000 Cu 0.815796 0.845888 0 273 63.546 0.0194892 -3.53441 63.546000 Cu 0.851371 0.860869 0.5 279 63.546 0.0190547 -3.53657 63.546000 Cu 0.784512 0.864107 0.5 324 63.546 0.0221782 -3.52903 63.546000 Cu 0.819982 0.878444 1 326 63.546 0.0510338 -3.5293 63.546000 Cu 0.882619 0.843515 0 276 63.546 0.00750184 -3.53882 63.546000 Cu 0.887021 0.876326 1 277 63.546 0.00853336 -3.53815 63.546000 Cu 0.949312 0.842134 1 223 63.546 0.00138497 -3.53905 63.546000 Cu 0.984862 0.858227 0.5 229 63.546 0.000631865 -3.53858 63.546000 Cu 0.91822 0.859252 0.5 278 63.546 0.00301008 -3.5389 63.546000 Cu 0.953804 0.875246 0 280 63.546 0.00132385 -3.53856 63.546000 Cu 0.0912706 0.907348 3.16218e-18 231 63.546 0.00484015 -3.53543 63.546000 Cu 0.0558244 0.890869 0.5 233 63.546 0.00139185 -3.53674 63.546000 Cu 0.0248867 0.907865 1 284 63.546 0.000980071 -3.53683 63.546000 Cu 0.0290313 0.941249 2.06188e-20 285 63.546 0.00846677 -3.53732 63.546000 Cu 0.0603286 0.924417 0.5 286 63.546 0.00298115 -3.53541 63.546000 Cu 0.0956922 0.941044 5.62332e-21 288 63.546 0.0101433 -3.53413 63.546000 Cu 0.122025 0.889948 0.5 232 63.546 0.0136284 -3.53685 63.546000 Cu 0.157331 0.906093 1.1809e-19 234 63.546 0.0368905 -3.53577 63.546000 Cu 0.162174 0.940353 2.81166e-20 235 63.546 0.058936 -3.52615 63.546000 Cu 0.192409 0.921986 0.5 236 63.546 0.0963534 -3.52867 63.546000 Cu 0.126688 0.923838 0.5 237 63.546 0.0142598 -3.53224 63.546000 Cu 0.222766 0.902601 5.98077e-17 181 63.546 0.0506358 -3.53257 63.546000 Cu 0.227467 0.937071 1.87444e-20 238 63.546 0.249632 -3.50485 63.546000 Cu 0.288457 0.89655 1.10592e-19 434 63.546 0.10091 -3.51297 63.546000 Cu 0.292553 0.928552 8.74801e-17 435 63.546 0.516286 -3.46247 63.546000 Cu 0.257147 0.91669 0.5 437 63.546 0.0853939 -3.51148 63.546000 Cu 0.324047 0.910578 0.5 436 63.546 0.142598 -3.52297 63.546000 Cu 0.328628 0.942447 0.5 441 63.546 0.411774 -3.50314 63.546000 Cu 0.355604 0.893343 1 417 63.546 0.0275097 -3.53552 63.546000 Cu 0.422639 0.892101 3.47165e-17 420 63.546 0.00277164 -3.53865 63.546000 Cu 0.427043 0.924988 3.23509e-17 421 63.546 0.0032775 -3.53863 63.546000 Cu 0.391333 0.908957 0.5 423 63.546 0.00714145 -3.53847 63.546000 Cu 0.359972 0.925743 6.98791e-17 438 63.546 0.0309946 -3.53637 63.546000 Cu 0.395659 0.941599 0.5 440 63.546 0.0120862 -3.53829 63.546000 Cu 0.489379 0.891357 1.40583e-19 393 63.546 0.000693887 -3.53807 63.546000 Cu 0.524921 0.907732 0.5 399 63.546 0.000892912 -3.53683 63.546000 Cu 0.458277 0.908237 0.5 422 63.546 0.001346 -3.53841 63.546000 Cu 0.493821 0.924578 1.47316e-16 424 63.546 0.00263087 -3.53745 63.546000 Cu 0.529122 0.941097 0.5 426 63.546 0.00856831 -3.5373 63.546000 Cu 0.462433 0.941292 0.5 427 63.546 0.0088416 -3.53839 63.546000 Cu 0.622091 0.889778 7.6852e-20 361 63.546 0.0115938 -3.53666 63.546000 Cu 0.555875 0.890725 1 396 63.546 0.00137574 -3.53679 63.546000 Cu 0.56038 0.924244 7.32699e-17 397 63.546 0.00252475 -3.53528 63.546000 Cu 0.591313 0.90717 0.5 398 63.546 0.00386742 -3.53522 63.546000 Cu 0.626704 0.923695 1.25932e-16 400 63.546 0.0126291 -3.53182 63.546000 Cu 0.595757 0.94088 0.5 403 63.546 0.00927879 -3.53388 63.546000 Cu 0.657337 0.905986 0.5 367 63.546 0.0351013 -3.53558 63.546000 Cu 0.662182 0.9403 0.5 402 63.546 0.0598903 -3.52576 63.546000 Cu 0.692387 0.921967 9.96021e-17 365 63.546 0.0993722 -3.52893 63.546000 Cu 0.722754 0.902625 0.5 366 63.546 0.0535132 -3.53321 63.546000 Cu 0.757164 0.916736 1 368 63.546 0.0865157 -3.51236 63.546000 Cu 0.727459 0.93708 0.5 371 63.546 0.251102 -3.50543 63.546000 Cu 0.824126 0.910673 1 327 63.546 0.138752 -3.52261 63.546000 Cu 0.85566 0.893435 0.5 328 63.546 0.0276614 -3.53565 63.546000 Cu 0.7885 0.896645 0.5 329 63.546 0.0970311 -3.51236 63.546000 Cu 0.860058 0.925842 0.5 333 63.546 0.0303717 -3.53643 63.546000 Cu 0.79262 0.928598 0.5 370 63.546 0.512566 -3.46226 63.546000 Cu 0.828731 0.942517 1 372 63.546 0.40649 -3.50229 63.546000 Cu 0.989372 0.891463 0.5 282 63.546 0.000820605 -3.53796 63.546000 Cu 0.993776 0.924698 0.5 287 63.546 0.00278315 -3.53746 63.546000 Cu 0.958269 0.908336 1.49955e-19 281 63.546 0.00140209 -3.53836 63.546000 Cu 0.922654 0.892184 0.5 283 63.546 0.00290939 -3.53872 63.546000 Cu 0.891373 0.909044 1 330 63.546 0.00749808 -3.53885 63.546000 Cu 0.927054 0.925091 0.5 332 63.546 0.00354727 -3.53885 63.546000 Cu 0.962378 0.941415 4.12377e-20 334 63.546 0.00899413 -3.53857 63.546000 Cu 0.895703 0.941719 1 331 63.546 0.0129157 -3.5386 63.546000 Cu 0.0639025 0.957918 0.5 291 63.546 0.0226797 -3.53844 63.546000 Cu 0.031065 0.974615 9.3722e-21 338 63.546 0.0292802 -3.54077 63.546000 Cu 0.0639928 0.991344 0.5 339 63.546 0.0245745 -3.53866 63.546000 Cu 0.0982031 0.974627 1 289 63.546 0.0493949 -3.53961 63.546000 Cu 0.197649 0.95713 0.5 240 63.546 0.343156 -3.49524 63.546000 Cu 0.130919 0.957732 0.5 290 63.546 0.036004 -3.53114 63.546000 Cu 0.165929 0.974524 2.43677e-17 292 63.546 0.1516 -3.51928 63.546000 Cu 0.197763 0.991832 0.5 293 63.546 0.349621 -3.49542 63.546000 Cu 0.131004 0.991432 0.5 294 63.546 0.0380955 -3.53096 63.546000 Cu 0.261201 0.997688 0.5 511 63.546 5.72633 -3.40711 63.546000 Cu 0.235568 0.974467 1 239 63.546 4.54653 -3.51861 63.546000 Cu 0.261004 0.951152 0.5 447 63.546 5.75428 -3.40549 63.546000 Cu 0.298309 0.959338 8.54519e-17 448 63.546 5.62063 -3.26147 63.546000 Cu 0.298534 0.98951 4.41749e-17 449 63.546 5.64232 -3.26007 63.546000 Cu 0.33136 0.97439 0.5 450 63.546 3.28885 -3.46823 63.546000 Cu 0.364265 0.958119 3.71214e-17 439 63.546 0.0536775 -3.53378 63.546000 Cu 0.430632 0.957894 5.82951e-17 442 63.546 0.0246865 -3.53843 63.546000 Cu 0.397914 0.97436 0.5 445 63.546 0.0315143 -3.54054 63.546000 Cu 0.364468 0.990607 1.2256e-16 452 63.546 0.0590731 -3.53362 63.546000 Cu 0.430775 0.990855 1.02794e-17 443 63.546 0.0282614 -3.53856 63.546000 Cu 0.497246 0.957811 1.88194e-18 425 63.546 0.0211786 -3.53945 63.546000 Cu 0.531219 0.974464 0.5 431 63.546 0.0316734 -3.54078 63.546000 Cu 0.464478 0.974402 0.5 444 63.546 0.0286789 -3.54025 63.546000 Cu 0.49734 0.991045 2.21776e-16 446 63.546 0.0233925 -3.53943 63.546000 Cu 0.630994 0.957637 7.98961e-17 401 63.546 0.0369512 -3.53095 63.546000 Cu 0.564027 0.957759 1.22628e-16 428 63.546 0.023808 -3.53854 63.546000 Cu 0.564109 0.991212 1.35559e-17 429 63.546 0.0257591 -3.53873 63.546000 Cu 0.598312 0.974506 0.5 430 63.546 0.0512375 -3.53977 63.546000 Cu 0.631062 0.99136 2.23789e-17 432 63.546 0.03779 -3.53101 63.546000 Cu 0.665987 0.974481 0.5 407 63.546 0.153028 -3.51928 63.546000 Cu 0.761181 0.997673 1 454 63.546 5.71633 -3.40632 63.546000 Cu 0.761086 0.951101 1 369 63.546 5.77232 -3.40641 63.546000 Cu 0.697723 0.957115 4.48478e-17 404 63.546 0.351642 -3.49573 63.546000 Cu 0.69779 0.991793 2.81166e-20 405 63.546 0.349405 -3.49522 63.546000 Cu 0.735587 0.974411 0.5 406 63.546 4.54599 -3.51936 63.546000 Cu 0.831354 0.974437 1 373 63.546 3.30338 -3.4677 63.546000 Cu 0.864298 0.958229 0.5 374 63.546 0.0545081 -3.53356 63.546000 Cu 0.798333 0.959351 0.5 375 63.546 5.60765 -3.2604 63.546000 Cu 0.864394 0.990728 0.5 378 63.546 0.0577531 -3.53373 63.546000 Cu 0.798484 0.98951 0.5 409 63.546 5.63801 -3.25879 63.546000 Cu 0.997119 0.957956 0.5 336 63.546 0.0199213 -3.53958 63.546000 Cu 0.997211 0.991215 0.5 340 63.546 0.0218504 -3.53961 63.546000 Cu 0.96435 0.97457 1 335 63.546 0.0265755 -3.54048 63.546000 Cu 0.930576 0.958041 0.5 337 63.546 0.0242367 -3.53872 63.546000 Cu 0.897856 0.974519 1 376 63.546 0.0304794 -3.54068 63.546000 Cu 0.930675 0.991045 0.5 377 63.546 0.0270513 -3.53873