Number of particles = 900 A = 1 Angstrom (basic length-scale) H0(1,1) = 38.3596 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 0.0249304 0.0413438 0 479 63.546 0.00125033 -3.5369 63.546000 Cu 0.0291646 0.00796688 5.43587e-20 482 63.546 0.0102023 -3.53761 63.546000 Cu 0.0958177 0.00821625 4.12377e-20 483 63.546 0.0105452 -3.53385 63.546000 Cu 0.060427 0.024839 0.5 484 63.546 0.00299263 -3.53529 63.546000 Cu 0.0913055 0.0418973 0 504 63.546 0.00339062 -3.53477 63.546000 Cu 0.0557631 0.0583527 0.5 502 63.546 0.00103592 -3.53655 63.546000 Cu 0.126759 0.0253481 0.5 506 63.546 0.0122178 -3.53151 63.546000 Cu 0.15734 0.0430082 2.9991e-20 505 63.546 0.0345098 -3.5355 63.546000 Cu 0.162285 0.00871603 4.3129e-17 508 63.546 0.0592926 -3.52572 63.546000 Cu 0.22761 0.0117985 2.87052e-17 509 63.546 0.256735 -3.50623 63.546000 Cu 0.192477 0.0269803 0.5 510 63.546 0.0993089 -3.52922 63.546000 Cu 0.222764 0.0462782 2.5483e-17 538 63.546 0.0545617 -3.53418 63.546000 Cu 0.257252 0.03212 0.5 540 63.546 0.0904973 -3.51273 63.546000 Cu 0.288467 0.052202 7.49776e-20 539 63.546 0.096305 -3.51294 63.546000 Cu 0.29275 0.0202786 7.08426e-17 542 63.546 0.529215 -3.46241 63.546000 Cu 0.360214 0.0229959 0 543 63.546 0.0281554 -3.53623 63.546000 Cu 0.328931 0.00633166 0.5 544 63.546 0.411718 -3.50252 63.546000 Cu 0.324196 0.0381739 0.5 545 63.546 0.137609 -3.52242 63.546000 Cu 0.355651 0.0553896 8.8273e-17 580 63.546 0.0253637 -3.53559 63.546000 Cu 0.395894 0.00714298 0.5 546 63.546 0.0140578 -3.53861 63.546000 Cu 0.422622 0.0566947 2.62421e-20 581 63.546 0.00278991 -3.53859 63.546000 Cu 0.39147 0.0398142 0.5 582 63.546 0.00712605 -3.53866 63.546000 Cu 0.427195 0.0237979 0 584 63.546 0.00371311 -3.539 63.546000 Cu 0.493907 0.0242743 0 585 63.546 0.00288373 -3.53769 63.546000 Cu 0.462584 0.0075101 0.5 586 63.546 0.0105482 -3.53867 63.546000 Cu 0.458326 0.0405902 0.5 587 63.546 0.00134099 -3.53825 63.546000 Cu 0.489312 0.0574799 0 630 63.546 0.000605775 -3.5378 63.546000 Cu 0.529242 0.00781118 0.5 588 63.546 0.0102116 -3.53752 63.546000 Cu 0.524943 0.0411632 0.5 632 63.546 0.00103808 -3.5369 63.546000 Cu 0.560459 0.0247067 0 634 63.546 0.00277502 -3.53539 63.546000 Cu 0.595872 0.00812206 0.5 636 63.546 0.0102606 -3.53393 63.546000 Cu 0.591323 0.0417975 0.5 637 63.546 0.00326787 -3.5351 63.546000 Cu 0.555791 0.058198 1.1233e-16 631 63.546 0.00124035 -3.53684 63.546000 Cu 0.62678 0.0252829 8.26159e-17 635 63.546 0.011596 -3.53167 63.546000 Cu 0.662303 0.00866733 0.5 638 63.546 0.0581794 -3.5256 63.546000 Cu 0.657353 0.0429657 0.5 690 63.546 0.033447 -3.53565 63.546000 Cu 0.692487 0.0269471 0 692 63.546 0.0991315 -3.52915 63.546000 Cu 0.727592 0.011772 0.5 694 63.546 0.257291 -3.50601 63.546000 Cu 0.72277 0.0462577 0.5 695 63.546 0.0549441 -3.5339 63.546000 Cu 0.757249 0.0321161 4.33989e-17 693 63.546 0.0882067 -3.51274 63.546000 Cu 0.828857 0.00636779 0 455 63.546 0.402071 -3.50261 63.546000 Cu 0.792715 0.0202593 0.5 456 63.546 0.510724 -3.46173 63.546000 Cu 0.788435 0.0522088 0.5 458 63.546 0.0922924 -3.51311 63.546000 Cu 0.824137 0.0382143 0 460 63.546 0.134201 -3.52266 63.546000 Cu 0.860137 0.0231001 0.5 462 63.546 0.0289325 -3.53643 63.546000 Cu 0.855568 0.0554832 0.5 463 63.546 0.0258464 -3.5355 63.546000 Cu 0.891398 0.039953 1.22691e-16 461 63.546 0.00751595 -3.53843 63.546000 Cu 0.895821 0.00730912 7.12287e-20 464 63.546 0.0149932 -3.53878 63.546000 Cu 0.962518 0.00770799 8.41623e-17 465 63.546 0.0109935 -3.53878 63.546000 Cu 0.927152 0.0239823 0.5 466 63.546 0.00456476 -3.53891 63.546000 Cu 0.922564 0.0568488 0.5 476 63.546 0.00289342 -3.53857 63.546000 Cu 0.958303 0.0407798 2.62421e-20 478 63.546 0.00188801 -3.53831 63.546000 Cu 0.99388 0.0244643 0.5 480 63.546 0.00355603 -3.53781 63.546000 Cu 0.989283 0.0576834 0.5 481 63.546 0.000862768 -3.53797 63.546000 Cu 0.0153625 0.108039 5.06192e-17 497 63.546 0.000336265 -3.5383 63.546000 Cu 0.0201572 0.0747047 1.22701e-16 500 63.546 0.000488185 -3.53772 63.546000 Cu 0.0864941 0.0755521 0 501 63.546 0.00321113 -3.53697 63.546000 Cu 0.050968 0.0918281 0.5 503 63.546 0.000918397 -3.53762 63.546000 Cu 0.121964 0.0592435 0.5 507 63.546 0.0110871 -3.53625 63.546000 Cu 0.0817074 0.109124 0 530 63.546 0.00282584 -3.53835 63.546000 Cu 0.117162 0.093002 0.5 532 63.546 0.00861728 -3.5385 63.546000 Cu 0.147828 0.110804 1.1809e-19 531 63.546 0.0117879 -3.54004 63.546000 Cu 0.152533 0.0770185 5.06099e-20 534 63.546 0.0203923 -3.53878 63.546000 Cu 0.218247 0.0801534 1.12523e-17 535 63.546 0.0182061 -3.53821 63.546000 Cu 0.187734 0.0613278 0.5 536 63.546 0.0402032 -3.53817 63.546000 Cu 0.183098 0.0952424 0.5 537 63.546 0.0180706 -3.53999 63.546000 Cu 0.213757 0.113752 0 572 63.546 0.00721221 -3.53937 63.546000 Cu 0.248946 0.0990239 0.5 574 63.546 0.00445309 -3.53638 63.546000 Cu 0.253225 0.065701 0.5 541 63.546 0.0163857 -3.53167 63.546000 Cu 0.279892 0.117595 0 573 63.546 0.00630357 -3.53532 63.546000 Cu 0.284233 0.0847511 2.62421e-20 576 63.546 0.0225183 -3.5299 63.546000 Cu 0.351097 0.0879561 0 577 63.546 0.0170332 -3.53649 63.546000 Cu 0.319837 0.0703883 0.5 578 63.546 0.0488743 -3.52975 63.546000 Cu 0.315416 0.102933 0.5 579 63.546 0.0175248 -3.5344 63.546000 Cu 0.3822 0.105323 0.5 624 63.546 0.00693328 -3.53852 63.546000 Cu 0.386864 0.0725225 0.5 583 63.546 0.0079373 -3.53829 63.546000 Cu 0.417932 0.0896307 2.72019e-17 626 63.546 0.00326058 -3.5388 63.546000 Cu 0.484554 0.0906941 5.49211e-19 627 63.546 0.000497582 -3.53841 63.546000 Cu 0.453642 0.0736586 0.5 628 63.546 0.00119904 -3.53846 63.546000 Cu 0.448875 0.106755 0.5 629 63.546 0.00127127 -3.53885 63.546000 Cu 0.52019 0.0745032 0.5 633 63.546 0.000516929 -3.53783 63.546000 Cu 0.515375 0.107844 0.5 682 63.546 0.000335905 -3.53851 63.546000 Cu 0.550984 0.0916617 0 684 63.546 0.00108997 -3.53788 63.546000 Cu 0.617177 0.0929351 0 685 63.546 0.0077296 -3.53849 63.546000 Cu 0.58653 0.0754421 0.5 686 63.546 0.00314599 -3.53726 63.546000 Cu 0.58169 0.109004 0.5 687 63.546 0.00273497 -3.53846 63.546000 Cu 0.621993 0.0591831 9.93453e-20 688 63.546 0.0101676 -3.53653 63.546000 Cu 0.687756 0.0613026 0 689 63.546 0.0398616 -3.53817 63.546000 Cu 0.652563 0.0769871 0.5 691 63.546 0.0189033 -3.53875 63.546000 Cu 0.647809 0.110758 0.5 744 63.546 0.0108958 -3.53992 63.546000 Cu 0.683101 0.0952193 0 746 63.546 0.0177277 -3.53981 63.546000 Cu 0.748935 0.099032 2.33293e-17 747 63.546 0.00416079 -3.53621 63.546000 Cu 0.718259 0.0801394 0.5 748 63.546 0.0188263 -3.53803 63.546000 Cu 0.713739 0.113731 0.5 749 63.546 0.00799357 -3.53917 63.546000 Cu 0.753228 0.0657011 0 750 63.546 0.0160553 -3.5313 63.546000 Cu 0.819785 0.0704456 3.53707e-18 457 63.546 0.0488667 -3.5299 63.546000 Cu 0.784219 0.0847826 0.5 459 63.546 0.0216736 -3.52997 63.546000 Cu 0.815364 0.103017 3.98356e-17 470 63.546 0.0187313 -3.53475 63.546000 Cu 0.851043 0.0880535 0.5 472 63.546 0.0173515 -3.53658 63.546000 Cu 0.882152 0.10544 1.00074e-16 471 63.546 0.00632887 -3.53853 63.546000 Cu 0.886798 0.0726404 7.49776e-20 474 63.546 0.00769985 -3.53819 63.546000 Cu 0.953597 0.0738444 9.50903e-18 475 63.546 0.00149011 -3.5387 63.546000 Cu 0.917888 0.0897782 0.5 477 63.546 0.00314666 -3.5389 63.546000 Cu 0.948831 0.106939 0 496 63.546 0.00153356 -3.53894 63.546000 Cu 0.984521 0.0909052 0.5 498 63.546 0.000716509 -3.53844 63.546000 Cu 0.0770026 0.142604 4.87354e-20 527 63.546 0.00241912 -3.53916 63.546000 Cu 0.0461884 0.125251 0.5 528 63.546 0.000779396 -3.53834 63.546000 Cu 0.0415361 0.158623 0.5 529 63.546 0.000641407 -3.53924 63.546000 Cu 0.112432 0.126643 0.5 533 63.546 0.00565386 -3.53939 63.546000 Cu 0.107865 0.160163 0.5 566 63.546 0.00370168 -3.54007 63.546000 Cu 0.00605309 0.17463 0 523 63.546 6.93202e-05 -3.53944 63.546000 Cu 0.0106252 0.141335 0 526 63.546 0.000187897 -3.53883 63.546000 Cu 0.07247 0.176027 0 564 63.546 0.00168497 -3.53972 63.546000 Cu 0.143194 0.144418 2.56817e-17 568 63.546 0.00693464 -3.54029 63.546000 Cu 0.209274 0.147192 4.87354e-20 569 63.546 0.00340756 -3.53978 63.546000 Cu 0.178481 0.12891 0.5 570 63.546 0.00891262 -3.54035 63.546000 Cu 0.174036 0.162422 0.5 571 63.546 0.00470185 -3.5402 63.546000 Cu 0.24454 0.132255 0.5 575 63.546 0.00167696 -3.53808 63.546000 Cu 0.2402 0.165474 0.5 616 63.546 0.000622756 -3.53869 63.546000 Cu 0.275501 0.150577 1.31211e-20 618 63.546 0.00172579 -3.53758 63.546000 Cu 0.342008 0.153578 0 619 63.546 0.00594684 -3.53876 63.546000 Cu 0.310945 0.135721 0.5 620 63.546 0.00679179 -3.537 63.546000 Cu 0.306551 0.168682 0.5 621 63.546 0.00308459 -3.53835 63.546000 Cu 0.346528 0.120686 0 622 63.546 0.0099074 -3.53765 63.546000 Cu 0.373043 0.171255 0.5 674 63.546 0.00428018 -3.53953 63.546000 Cu 0.377565 0.138243 0.5 625 63.546 0.0056904 -3.53923 63.546000 Cu 0.413204 0.122615 0 623 63.546 0.00295613 -3.5393 63.546000 Cu 0.408592 0.15568 3.47334e-17 676 63.546 0.00267931 -3.53954 63.546000 Cu 0.475075 0.157187 1.31211e-20 677 63.546 0.000435357 -3.53929 63.546000 Cu 0.444156 0.1399 0.5 678 63.546 0.00132787 -3.53935 63.546000 Cu 0.439554 0.173067 0.5 679 63.546 0.00107371 -3.53962 63.546000 Cu 0.47976 0.12393 3.56143e-20 680 63.546 0.000398185 -3.53908 63.546000 Cu 0.510624 0.141178 0.5 683 63.546 0.000189141 -3.53911 63.546000 Cu 0.505982 0.174507 0.5 736 63.546 7.13507e-05 -3.53943 63.546000 Cu 0.546168 0.125101 0 681 63.546 0.000805282 -3.53857 63.546000 Cu 0.541478 0.158507 5.7251e-17 738 63.546 0.000485631 -3.53933 63.546000 Cu 0.607775 0.160069 1.32354e-17 739 63.546 0.00371739 -3.53997 63.546000 Cu 0.576949 0.142497 0.5 740 63.546 0.00221716 -3.53921 63.546000 Cu 0.61239 0.126562 0 742 63.546 0.00526853 -3.53943 63.546000 Cu 0.572339 0.175929 0.5 741 63.546 0.00147953 -3.53957 63.546000 Cu 0.67846 0.12887 5.41338e-17 743 63.546 0.00922909 -3.54025 63.546000 Cu 0.64315 0.144352 0.5 745 63.546 0.00687034 -3.54024 63.546000 Cu 0.673989 0.162356 1.17407e-16 792 63.546 0.00565915 -3.54014 63.546000 Cu 0.740174 0.165517 8.46459e-17 793 63.546 0.000514046 -3.53854 63.546000 Cu 0.709267 0.147169 0.5 794 63.546 0.00404748 -3.53958 63.546000 Cu 0.744521 0.13228 9.54202e-17 796 63.546 0.00150015 -3.53782 63.546000 Cu 0.77985 0.117661 0.5 468 63.546 0.00675417 -3.53542 63.546000 Cu 0.810891 0.135839 3.90033e-17 467 63.546 0.0081975 -3.53715 63.546000 Cu 0.775474 0.150679 0.5 469 63.546 0.0023413 -3.53747 63.546000 Cu 0.846464 0.120798 0.5 473 63.546 0.0100958 -3.5378 63.546000 Cu 0.806524 0.168826 1.49955e-20 488 63.546 0.00408392 -3.53835 63.546000 Cu 0.873025 0.171405 4.04729e-17 489 63.546 0.00398733 -3.53969 63.546000 Cu 0.841977 0.153712 0.5 490 63.546 0.00599617 -3.53875 63.546000 Cu 0.877518 0.138367 0 492 63.546 0.00501898 -3.53933 63.546000 Cu 0.944112 0.140074 4.12002e-18 493 63.546 0.00166708 -3.53939 63.546000 Cu 0.91315 0.122762 0.5 494 63.546 0.00283054 -3.5394 63.546000 Cu 0.908559 0.15584 0.5 495 63.546 0.00283829 -3.53972 63.546000 Cu 0.979725 0.124121 0.5 499 63.546 0.000575336 -3.53894 63.546000 Cu 0.939561 0.173242 0 522 63.546 0.00146495 -3.53974 63.546000 Cu 0.975073 0.157351 0.5 524 63.546 0.000554269 -3.53914 63.546000 Cu 0.0678835 0.209378 1.22658e-16 561 63.546 0.00136831 -3.53953 63.546000 Cu 0.0370045 0.191971 0.5 562 63.546 0.000486686 -3.53951 63.546000 Cu 0.0323364 0.225281 0.5 563 63.546 0.000312087 -3.53945 63.546000 Cu 0.103371 0.193571 0.5 567 63.546 0.00279837 -3.54 63.546000 Cu 0.0987451 0.226877 0.5 608 63.546 0.00253479 -3.53987 63.546000 Cu 0.00145949 0.207937 0 560 63.546 2.83867e-05 -3.53937 63.546000 Cu 0.134241 0.211252 4.57494e-17 610 63.546 0.00324738 -3.54017 63.546000 Cu 0.138755 0.177894 0 565 63.546 0.00445513 -3.54024 63.546000 Cu 0.200531 0.213794 1.18736e-16 611 63.546 0.00168789 -3.53937 63.546000 Cu 0.169649 0.195787 0.5 612 63.546 0.0034 -3.54002 63.546000 Cu 0.165123 0.229057 0.5 613 63.546 0.00294532 -3.53986 63.546000 Cu 0.20494 0.180532 3.77981e-17 614 63.546 0.00195664 -3.53936 63.546000 Cu 0.235863 0.198667 0.5 617 63.546 0.000472655 -3.53879 63.546000 Cu 0.231435 0.231863 0.5 666 63.546 0.000658668 -3.53906 63.546000 Cu 0.271185 0.183664 1.2263e-16 615 63.546 0.000388243 -3.53831 63.546000 Cu 0.266789 0.216817 2.68082e-17 668 63.546 7.38949e-05 -3.53894 63.546000 Cu 0.333076 0.219749 0 669 63.546 0.00340647 -3.53964 63.546000 Cu 0.302143 0.201761 0.5 670 63.546 0.00177448 -3.5389 63.546000 Cu 0.297718 0.23495 0.5 671 63.546 0.00151995 -3.53959 63.546000 Cu 0.337559 0.186605 1.22628e-16 672 63.546 0.00404025 -3.53914 63.546000 Cu 0.368513 0.204364 0.5 675 63.546 0.0032181 -3.53959 63.546000 Cu 0.404007 0.188814 3.37399e-20 673 63.546 0.00243809 -3.53972 63.546000 Cu 0.399448 0.222014 8.41736e-17 730 63.546 0.002222 -3.5399 63.546000 Cu 0.465882 0.22373 3.66284e-17 731 63.546 0.000513856 -3.53962 63.546000 Cu 0.434932 0.206297 0.5 732 63.546 0.00121646 -3.53971 63.546000 Cu 0.470454 0.19046 3.93632e-20 734 63.546 0.000492995 -3.53951 63.546000 Cu 0.501346 0.207821 0.5 737 63.546 9.15097e-05 -3.53936 63.546000 Cu 0.536849 0.191874 0 735 63.546 0.000249424 -3.53934 63.546000 Cu 0.53232 0.225178 5.32659e-17 784 63.546 0.00015739 -3.53958 63.546000 Cu 0.598756 0.226766 6.79297e-18 785 63.546 0.00261192 -3.53996 63.546000 Cu 0.567757 0.209279 0.5 786 63.546 0.00117877 -3.53959 63.546000 Cu 0.603194 0.193466 1.03896e-16 788 63.546 0.00296733 -3.53995 63.546000 Cu 0.634133 0.211135 0.5 791 63.546 0.00417337 -3.54019 63.546000 Cu 0.669511 0.195695 5.99821e-20 789 63.546 0.00481182 -3.54004 63.546000 Cu 0.638628 0.177798 0.5 790 63.546 0.00514677 -3.54018 63.546000 Cu 0.704861 0.180501 0.5 795 63.546 0.00263992 -3.53935 63.546000 Cu 0.665152 0.228949 1.40583e-19 830 63.546 0.0045605 -3.53963 63.546000 Cu 0.731471 0.231911 5.62332e-20 831 63.546 0.000418403 -3.5386 63.546000 Cu 0.700468 0.213748 0.5 832 63.546 0.00249821 -3.53925 63.546000 Cu 0.735777 0.198717 1.69682e-16 834 63.546 0.000346355 -3.53883 63.546000 Cu 0.802118 0.201916 7.94275e-17 485 63.546 0.00243761 -3.53913 63.546000 Cu 0.771129 0.183786 0.5 486 63.546 0.000872408 -3.53841 63.546000 Cu 0.766765 0.216938 0.5 487 63.546 0.000359987 -3.53885 63.546000 Cu 0.837549 0.186758 0.5 491 63.546 0.00401752 -3.53937 63.546000 Cu 0.797755 0.235107 7.00234e-17 514 63.546 0.00203502 -3.5393 63.546000 Cu 0.833089 0.219919 0.5 516 63.546 0.00364912 -3.53983 63.546000 Cu 0.868535 0.204542 0 518 63.546 0.0034591 -3.53996 63.546000 Cu 0.934999 0.206472 0 519 63.546 0.00155896 -3.53979 63.546000 Cu 0.904028 0.188994 0.5 520 63.546 0.00291317 -3.54002 63.546000 Cu 0.899466 0.222203 0.5 521 63.546 0.00271913 -3.53995 63.546000 Cu 0.970536 0.190611 0.5 525 63.546 0.000611407 -3.53963 63.546000 Cu 0.965912 0.223881 0.5 558 63.546 0.000569828 -3.53944 63.546000 Cu 0.0587794 0.275911 3.17155e-18 603 63.546 0.00107385 -3.53971 63.546000 Cu 0.0277436 0.258577 0.5 604 63.546 0.000268602 -3.53933 63.546000 Cu 0.0233553 0.291849 0.5 605 63.546 0.00015558 -3.53944 63.546000 Cu 0.0632095 0.242668 2.82291e-18 606 63.546 0.00131647 -3.53969 63.546000 Cu 0.0941946 0.260111 0.5 609 63.546 0.00256949 -3.53981 63.546000 Cu 0.0898605 0.293284 0.5 658 63.546 0.0024191 -3.53984 63.546000 Cu 0.129647 0.244493 8.1898e-17 607 63.546 0.00330909 -3.53997 63.546000 Cu 0.12527 0.277637 1.21801e-16 660 63.546 0.00395976 -3.53955 63.546000 Cu 0.191779 0.280084 1.33799e-16 661 63.546 0.00410439 -3.53851 63.546000 Cu 0.160662 0.262222 0.5 662 63.546 0.00362891 -3.53938 63.546000 Cu 0.196066 0.246981 1.22586e-16 664 63.546 0.00235136 -3.53923 63.546000 Cu 0.227098 0.265035 0.5 667 63.546 0.00135972 -3.53851 63.546000 Cu 0.258149 0.283256 8.21079e-17 722 63.546 0.000477262 -3.53858 63.546000 Cu 0.262384 0.250027 1.21376e-16 665 63.546 0.000165059 -3.53906 63.546000 Cu 0.324314 0.286384 2.51737e-18 723 63.546 0.00464939 -3.54006 63.546000 Cu 0.293338 0.268233 0.5 724 63.546 0.00211582 -3.53934 63.546000 Cu 0.328629 0.253006 0 726 63.546 0.00347891 -3.54011 63.546000 Cu 0.364025 0.237584 0.5 728 63.546 0.00305356 -3.54011 63.546000 Cu 0.359541 0.270939 0.5 729 63.546 0.00414515 -3.54025 63.546000 Cu 0.394927 0.255307 8.69159e-17 727 63.546 0.00250892 -3.54025 63.546000 Cu 0.430398 0.239566 0.5 733 63.546 0.00135943 -3.53988 63.546000 Cu 0.390513 0.288715 0 776 63.546 0.00340841 -3.53988 63.546000 Cu 0.45683 0.290357 7.35211e-17 777 63.546 0.000823817 -3.53941 63.546000 Cu 0.425845 0.272908 0.5 778 63.546 0.00190629 -3.5399 63.546000 Cu 0.461331 0.257019 9.53227e-17 780 63.546 0.000569163 -3.53974 63.546000 Cu 0.496834 0.241116 0.5 782 63.546 0.000126165 -3.53945 63.546000 Cu 0.492298 0.274398 0.5 783 63.546 0.000207958 -3.53947 63.546000 Cu 0.527807 0.258448 1.99459e-17 781 63.546 0.0001388 -3.53951 63.546000 Cu 0.563306 0.242559 0.5 787 63.546 0.00096801 -3.53979 63.546000 Cu 0.523291 0.291687 3.18655e-20 822 63.546 0.000283039 -3.53937 63.546000 Cu 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0.524333 0 91 63.546 0.00292994 -3.53751 63.546000 Cu 0.537587 0.507603 0.5 92 63.546 0.0100883 -3.53841 63.546000 Cu 0.573001 0.523895 1.87444e-21 94 63.546 0.00357904 -3.53851 63.546000 Cu 0.569346 0.49097 1.12466e-19 888 63.546 0.0266726 -3.53867 63.546000 Cu 0.53558 0.474469 0.5 889 63.546 0.0279793 -3.54042 63.546000 Cu 0.602066 0.474483 0.5 893 63.546 0.0319974 -3.54094 63.546000 Cu 0.635651 0.490743 0 453 63.546 0.0567837 -3.53336 63.546000 Cu 0.738958 0.497686 0.5 31 63.546 5.6872 -3.40915 63.546000 Cu 0.639982 0.523103 0 57 63.546 0.0299657 -3.53609 63.546000 Cu 0.671253 0.506409 0.5 58 63.546 0.413284 -3.50261 63.546000 Cu 0.707457 0.520319 1 60 63.546 0.529751 -3.46234 63.546000 Cu 0.668592 0.474503 0.5 410 63.546 3.26645 -3.46709 63.546000 Cu 0.70154 0.489521 1 451 63.546 5.62117 -3.25958 63.546000 Cu 0.764444 0.474512 0 639 63.546 4.51101 -3.52105 63.546000 Cu 0.834123 0.47454 1.72111e-17 698 63.546 0.147416 -3.51962 63.546000 Cu 0.837879 0.508738 2.65814e-17 32 63.546 0.0553897 -3.52562 63.546000 Cu 0.772571 0.511798 2.22496e-16 696 63.546 0.261658 -3.50673 63.546000 Cu 0.802383 0.491868 0.5 697 63.546 0.339399 -3.49575 63.546000 Cu 0.869082 0.491429 0.5 701 63.546 0.0362986 -3.53106 63.546000 Cu 0.873398 0.525353 0.5 34 63.546 0.0110196 -3.53169 63.546000 Cu 0.807709 0.526993 0.5 35 63.546 0.0977884 -3.52925 63.546000 Cu 0.904306 0.50818 1.32461e-16 13 63.546 0.00961435 -3.53388 63.546000 Cu 0.970914 0.507922 0 14 63.546 0.00934434 -3.5372 63.546000 Cu 0.939703 0.52478 0.5 17 63.546 0.00301199 -3.53538 63.546000 Cu 0.901769 0.474563 2.06188e-20 699 63.546 0.0487084 -3.53979 63.546000 Cu 0.936009 0.491281 0.5 751 63.546 0.0248782 -3.53844 63.546000 Cu 0.968823 0.474564 1.55466e-17 752 63.546 0.0310545 -3.54082 63.546000 Cu 0.108735 0.540037 2.3423e-17 5 63.546 0.00883037 -3.53859 63.546000 Cu 0.0418395 0.540802 4.31121e-17 18 63.546 0.00165554 -3.5379 63.546000 Cu 0.046589 0.57385 8.74838e-17 19 63.546 0.00142404 -3.53836 63.546000 Cu 0.0776016 0.556917 0.5 20 63.546 0.00368952 -3.53858 63.546000 Cu 0.0108774 0.557659 0.5 21 63.546 0.000756583 -3.53755 63.546000 Cu 0.113418 0.572721 2.55111e-17 22 63.546 0.00963362 -3.53836 63.546000 Cu 0.176004 0.538274 0 8 63.546 0.139378 -3.52204 63.546000 Cu 0.180422 0.570481 2.25645e-17 9 63.546 0.0493373 -3.52949 63.546000 Cu 0.211758 0.552233 0.5 10 63.546 0.098696 -3.51209 63.546000 Cu 0.144607 0.555547 0.5 11 63.546 0.0267632 -3.53548 63.546000 Cu 0.215967 0.584797 0.5 12 63.546 0.0233154 -3.52934 63.546000 Cu 0.149177 0.5881 0.5 24 63.546 0.0175612 -3.53643 63.546000 Cu 0.242899 0.532064 1 184 63.546 0.0934846 -3.5116 63.546000 Cu 0.246958 0.565678 1.31211e-20 241 63.546 0.0163576 -3.53068 63.546000 Cu 0.312366 0.561161 5.48461e-17 187 63.546 0.0435606 -3.53779 63.546000 Cu 0.34278 0.542798 0.5 188 63.546 0.0374737 -3.53555 63.546000 Cu 0.277379 0.546159 0.5 189 63.546 0.0566588 -3.53347 63.546000 Cu 0.347519 0.576818 0.5 193 63.546 0.0226814 -3.53859 63.546000 Cu 0.281868 0.580065 0.5 243 63.546 0.0185848 -3.53728 63.546000 Cu 0.444331 0.558158 8.41623e-18 137 63.546 0.0011253 -3.53649 63.546000 Cu 0.475194 0.541167 0.5 138 63.546 0.00119753 -3.53677 63.546000 Cu 0.408813 0.541681 0.5 139 63.546 0.00382046 -3.53487 63.546000 Cu 0.479916 0.574507 0.5 143 63.546 0.000540105 -3.53766 63.546000 Cu 0.37812 0.55903 0 190 63.546 0.0121693 -3.53638 63.546000 Cu 0.413552 0.575323 0.5 192 63.546 0.00403591 -3.53705 63.546000 Cu 0.577565 0.556761 1.87444e-21 95 63.546 0.00263525 -3.53853 63.546000 Cu 0.608766 0.539917 0.5 96 63.546 0.00764399 -3.5383 63.546000 Cu 0.541846 0.540661 0.5 97 63.546 0.00155528 -3.53828 63.546000 Cu 0.510837 0.557533 3.51795e-17 140 63.546 0.000788346 -3.53779 63.546000 Cu 0.546509 0.573717 0.5 142 63.546 0.001406 -3.53856 63.546000 Cu 0.613326 0.572603 0.5 101 63.546 0.00816173 -3.53806 63.546000 Cu 0.711722 0.552231 0 61 63.546 0.0940848 -3.51223 63.546000 Cu 0.676031 0.538249 0.5 63 63.546 0.14115 -3.52244 63.546000 Cu 0.644583 0.555488 0 98 63.546 0.0277676 -3.53553 63.546000 Cu 0.649082 0.588048 0 99 63.546 0.0185884 -3.53646 63.546000 Cu 0.680351 0.570477 0.5 100 63.546 0.0528382 -3.52979 63.546000 Cu 0.715918 0.584809 6.62595e-17 102 63.546 0.022944 -3.52965 63.546000 Cu 0.74294 0.532117 0.5 62 63.546 0.0932965 -3.51195 63.546000 Cu 0.746905 0.565708 0.5 67 63.546 0.0165243 -3.53124 63.546000 Cu 0.842817 0.543025 0 33 63.546 0.0323293 -3.53565 63.546000 Cu 0.777403 0.546268 0 64 63.546 0.0573821 -3.53418 63.546000 Cu 0.781867 0.580153 0 65 63.546 0.0197066 -3.53823 63.546000 Cu 0.81238 0.561347 0.5 66 63.546 0.0388705 -3.5383 63.546000 Cu 0.847573 0.57703 2.6274e-17 68 63.546 0.018768 -3.53886 63.546000 Cu 0.975219 0.541293 4.76745e-17 15 63.546 0.00121023 -3.53668 63.546000 Cu 0.908845 0.541864 1.06843e-19 36 63.546 0.00363432 -3.53512 63.546000 Cu 0.913643 0.575497 0 37 63.546 0.00372426 -3.53733 63.546000 Cu 0.944389 0.558285 0.5 38 63.546 0.00149586 -3.53668 63.546000 Cu 0.878178 0.559247 0.5 39 63.546 0.00998321 -3.53663 63.546000 Cu 0.980008 0.574632 1.05998e-16 40 63.546 0.000535724 -3.53766 63.546000 Cu 0.0823345 0.589836 0.5 25 63.546 0.00424287 -3.53882 63.546000 Cu 0.0156924 0.590858 0.5 42 63.546 0.000527788 -3.53826 63.546000 Cu 0.0513673 0.606935 5.39276e-17 44 63.546 0.00150973 -3.53872 63.546000 Cu 0.0559855 0.640066 0 45 63.546 0.0015247 -3.53921 63.546000 Cu 0.0869837 0.622813 0.5 46 63.546 0.00389274 -3.53921 63.546000 Cu 0.0204177 0.624067 0.5 47 63.546 0.000434966 -3.53885 63.546000 Cu 0.118044 0.605516 0 23 63.546 0.00831838 -3.5386 63.546000 Cu 0.122562 0.638436 0 48 63.546 0.00674101 -3.5391 63.546000 Cu 0.184787 0.603044 0 26 63.546 0.0182764 -3.53432 63.546000 Cu 0.189158 0.635863 1.22684e-16 27 63.546 0.00779258 -3.53696 63.546000 Cu 0.220232 0.617673 0.5 28 63.546 0.00702847 -3.53526 63.546000 Cu 0.153651 0.620846 0.5 29 63.546 0.0105133 -3.53768 63.546000 Cu 0.251175 0.599026 0 242 63.546 0.00413288 -3.53579 63.546000 Cu 0.316967 0.595082 0 244 63.546 0.020724 -3.53963 63.546000 Cu 0.321562 0.628744 0 245 63.546 0.0110633 -3.54015 63.546000 Cu 0.352226 0.610591 0.5 246 63.546 0.0142828 -3.54005 63.546000 Cu 0.286315 0.61368 0.5 247 63.546 0.00714392 -3.53888 63.546000 Cu 0.356862 0.644186 0.5 251 63.546 0.00940754 -3.54031 63.546000 Cu 0.255531 0.632284 0 295 63.546 0.00135665 -3.53771 63.546000 Cu 0.382883 0.592785 0 191 63.546 0.00945365 -3.53854 63.546000 Cu 0.449109 0.591617 0 194 63.546 0.00100769 -3.53771 63.546000 Cu 0.453897 0.625031 8.15156e-17 195 63.546 0.000959182 -3.53852 63.546000 Cu 0.484745 0.607838 0.5 196 63.546 0.000312273 -3.53826 63.546000 Cu 0.418361 0.608892 0.5 197 63.546 0.00332556 -3.53848 63.546000 Cu 0.387632 0.626408 0 248 63.546 0.00675426 -3.53952 63.546000 Cu 0.423052 0.642379 0.5 250 63.546 0.00273285 -3.53917 63.546000 Cu 0.489406 0.641155 0.5 201 63.546 0.000266758 -3.53886 63.546000 Cu 0.515583 0.590739 1.49955e-20 141 63.546 0.000636595 -3.53829 63.546000 Cu 0.58223 0.58968 0 144 63.546 0.00281354 -3.53873 63.546000 Cu 0.586938 0.622668 0 145 63.546 0.00278811 -3.53919 63.546000 Cu 0.551282 0.60681 0.5 147 63.546 0.00146346 -3.53879 63.546000 Cu 0.52035 0.623956 4.49303e-18 198 63.546 0.000610153 -3.53885 63.546000 Cu 0.555928 0.639939 0.5 200 63.546 0.00153968 -3.53938 63.546000 Cu 0.617949 0.605402 0.5 146 63.546 0.00700991 -3.53836 63.546000 Cu 0.622551 0.638307 0.5 151 63.546 0.00541818 -3.53916 63.546000 Cu 0.720295 0.617659 4.15357e-17 103 63.546 0.00680523 -3.53529 63.546000 Cu 0.68475 0.603036 0.5 105 63.546 0.0206222 -3.53449 63.546000 Cu 0.653646 0.620782 1.0784e-16 148 63.546 0.0111646 -3.53762 63.546000 Cu 0.689218 0.635828 0.5 150 63.546 0.00887603 -3.53693 63.546000 Cu 0.852339 0.610788 0 69 63.546 0.0111261 -3.53993 63.546000 Cu 0.817042 0.595248 0.5 71 63.546 0.0174535 -3.54008 63.546000 Cu 0.751198 0.599038 0.5 104 63.546 0.00468015 -3.53638 63.546000 Cu 0.786405 0.613756 7.70957e-18 106 63.546 0.00758256 -3.53937 63.546000 Cu 0.821646 0.628898 0.5 108 63.546 0.00872479 -3.54014 63.546000 Cu 0.755611 0.632289 0.5 109 63.546 0.00164266 -3.53795 63.546000 Cu 0.856946 0.644366 9.97783e-17 110 63.546 0.00745074 -3.54025 63.546000 Cu 0.989511 0.641274 1.11732e-16 76 63.546 0.000229935 -3.53888 63.546000 Cu 0.984828 0.607956 2.49675e-18 41 63.546 0.000381345 -3.53839 63.546000 Cu 0.949216 0.591742 0.5 43 63.546 0.00132471 -3.53792 63.546000 Cu 0.882991 0.59298 0.5 70 63.546 0.00792863 -3.53859 63.546000 Cu 0.918473 0.609049 3.65891e-18 72 63.546 0.00322784 -3.53853 63.546000 Cu 0.923159 0.64253 0 73 63.546 0.00260753 -3.53927 63.546000 Cu 0.953996 0.625164 0.5 74 63.546 0.00101456 -3.53865 63.546000 Cu 0.887737 0.626584 0.5 75 63.546 0.00587562 -3.53946 63.546000 Cu 0.0914988 0.655881 0.5 51 63.546 0.00365682 -3.53951 63.546000 Cu 0.0250087 0.657311 0.5 78 63.546 0.000399068 -3.53918 63.546000 Cu 0.060456 0.673247 1.77753e-17 80 63.546 0.00150724 -3.5397 63.546000 Cu 0.0959011 0.68903 0.5 82 63.546 0.00347376 -3.53981 63.546000 Cu 0.0294188 0.690591 0.5 83 63.546 0.000586167 -3.53967 63.546000 Cu 0.224534 0.650683 0.5 30 63.546 0.00241172 -3.53749 63.546000 Cu 0.12698 0.671467 2.3423e-17 49 63.546 0.00535192 -3.53964 63.546000 Cu 0.158053 0.65375 0.5 50 63.546 0.00626007 -3.53871 63.546000 Cu 0.19349 0.668841 0 52 63.546 0.00398533 -3.53844 63.546000 Cu 0.197695 0.701943 3.96444e-18 53 63.546 0.0026772 -3.53895 63.546000 Cu 0.228804 0.683784 0.5 54 63.546 0.00109545 -3.53792 63.546000 Cu 0.162404 0.6868 0.5 55 63.546 0.00462809 -3.53943 63.546000 Cu 0.131286 0.704586 0 84 63.546 0.00399956 -3.53986 63.546000 Cu 0.259818 0.665498 0 296 63.546 0.000427553 -3.53809 63.546000 Cu 0.290765 0.647104 0.5 297 63.546 0.00384162 -3.53916 63.546000 Cu 0.325967 0.66222 0 298 63.546 0.0073569 -3.53994 63.546000 Cu 0.330203 0.695607 0 299 63.546 0.00509264 -3.53984 63.546000 Cu 0.361165 0.677658 0.5 300 63.546 0.00634704 -3.54019 63.546000 Cu 0.295013 0.680429 0.5 301 63.546 0.0028336 -3.53879 63.546000 Cu 0.26399 0.698701 0 341 63.546 0.00027594 -3.53806 63.546000 Cu 0.392145 0.659922 7.0672e-17 249 63.546 0.00470984 -3.53998 63.546000 Cu 0.458456 0.65843 0 252 63.546 0.000601954 -3.53919 63.546000 Cu 0.462852 0.691772 0 253 63.546 0.000413756 -3.53951 63.546000 Cu 0.427437 0.675808 0.5 255 63.546 0.0019488 -3.5397 63.546000 Cu 0.396456 0.693339 4.64973e-17 302 63.546 0.0035508 -3.54011 63.546000 Cu 0.493872 0.674457 0.5 254 63.546 7.85686e-05 -3.53946 63.546000 Cu 0.524908 0.657187 4.0666e-17 199 63.546 0.00048079 -3.53922 63.546000 Cu 0.591469 0.655732 8.99731e-20 202 63.546 0.00275928 -3.53988 63.546000 Cu 0.595868 0.688884 1.49955e-20 203 63.546 0.00310384 -3.54003 63.546000 Cu 0.560394 0.673101 0.5 205 63.546 0.00127695 -3.53988 63.546000 Cu 0.529352 0.690435 1.687e-20 256 63.546 0.00038455 -3.53965 63.546000 Cu 0.658093 0.653668 2.9991e-20 149 63.546 0.00646983 -3.53876 63.546000 Cu 0.724628 0.650664 5.89717e-17 152 63.546 0.00237694 -3.53749 63.546000 Cu 0.728774 0.683761 1.23788e-17 153 63.546 0.000749059 -3.53811 63.546000 Cu 0.693519 0.668793 0.5 155 63.546 0.00434149 -3.53815 63.546000 Cu 0.62696 0.671329 0.5 204 63.546 0.0043429 -3.53984 63.546000 Cu 0.662346 0.686699 6.93542e-20 206 63.546 0.0041772 -3.53911 63.546000 Cu 0.697626 0.701877 0.5 208 63.546 0.00229506 -3.5387 63.546000 Cu 0.631234 0.704464 0.5 209 63.546 0.00376588 -3.53973 63.546000 Cu 0.790858 0.647192 5.30223e-17 107 63.546 0.0038003 -3.53954 63.546000 Cu 0.861303 0.677825 0 111 63.546 0.00515927 -3.54021 63.546000 Cu 0.826066 0.662391 0.5 113 63.546 0.0050718 -3.5401 63.546000 Cu 0.75989 0.665524 0.5 154 63.546 0.000705438 -3.53849 63.546000 Cu 0.795051 0.680536 1.47897e-16 156 63.546 0.00213347 -3.53938 63.546000 Cu 0.830264 0.695742 0.5 158 63.546 0.00395748 -3.53988 63.546000 Cu 0.763964 0.698739 0.5 159 63.546 0.000222181 -3.53878 63.546000 Cu 0.993996 0.674579 1.31211e-20 77 63.546 9.70723e-05 -3.53943 63.546000 Cu 0.958587 0.658558 0.5 79 63.546 0.000674059 -3.53916 63.546000 Cu 0.892277 0.660082 0.5 112 63.546 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63.546 0.00544494 -3.54002 63.546000 Cu 0.236966 0.750148 0.5 379 63.546 0.000382554 -3.538 63.546000 Cu 0.26807 0.731878 0 342 63.546 0.000596506 -3.53809 63.546000 Cu 0.299164 0.713704 0.5 343 63.546 0.00238219 -3.53891 63.546000 Cu 0.334414 0.728867 6.14291e-17 344 63.546 0.00471767 -3.5397 63.546000 Cu 0.338544 0.762024 0 345 63.546 0.00539139 -3.53927 63.546000 Cu 0.303285 0.746868 0.5 347 63.546 0.0033985 -3.53847 63.546000 Cu 0.365466 0.711025 0.5 305 63.546 0.00475413 -3.54028 63.546000 Cu 0.369713 0.744264 0.5 346 63.546 0.0044775 -3.54003 63.546000 Cu 0.400822 0.726645 0 303 63.546 0.00297494 -3.54021 63.546000 Cu 0.431865 0.709151 0.5 304 63.546 0.00163212 -3.5398 63.546000 Cu 0.467257 0.725057 0 306 63.546 0.000558554 -3.53946 63.546000 Cu 0.471501 0.758353 4.7219e-17 307 63.546 0.000486452 -3.53949 63.546000 Cu 0.436161 0.742437 0.5 309 63.546 0.00138369 -3.53982 63.546000 Cu 0.405038 0.759886 7.6852e-20 348 63.546 0.00267795 -3.5398 63.546000 Cu 0.49834 0.707747 0.5 259 63.546 0.000131954 -3.53939 63.546000 Cu 0.564804 0.706331 0.5 258 63.546 0.00153143 -3.53993 63.546000 Cu 0.533706 0.723719 5.98696e-18 257 63.546 0.000527828 -3.53971 63.546000 Cu 0.600131 0.722123 2.32993e-17 260 63.546 0.00339353 -3.5401 63.546000 Cu 0.604264 0.755448 1.23282e-17 261 63.546 0.00386954 -3.54011 63.546000 Cu 0.568992 0.739647 0.5 263 63.546 0.00204226 -3.53986 63.546000 Cu 0.502588 0.741047 0.5 308 63.546 1.98484e-05 -3.53929 63.546000 Cu 0.537912 0.75705 3.48589e-17 310 63.546 0.000727023 -3.5394 63.546000 Cu 0.666487 0.71986 4.78376e-17 207 63.546 0.00337788 -3.53932 63.546000 Cu 0.73283 0.716927 9.6826e-17 210 63.546 0.000323522 -3.5385 63.546000 Cu 0.736824 0.750135 0 211 63.546 0.000357276 -3.5389 63.546000 Cu 0.701638 0.735061 0.5 213 63.546 0.0016101 -3.53898 63.546000 Cu 0.63534 0.737723 0.5 262 63.546 0.00401848 -3.53994 63.546000 Cu 0.670559 0.753125 6.48556e-18 264 63.546 0.00336523 -3.5399 63.546000 Cu 0.799127 0.7138 1.47618e-16 157 63.546 0.00166932 -3.53903 63.546000 Cu 0.834295 0.728994 0.5 163 63.546 0.00400909 -3.53961 63.546000 Cu 0.76795 0.731942 0.5 212 63.546 0.000280065 -3.53856 63.546000 Cu 0.803153 0.746995 0 214 63.546 0.00224123 -3.53896 63.546000 Cu 0.838483 0.762164 0.5 216 63.546 0.00461807 -3.53929 63.546000 Cu 0.865473 0.711147 3.63398e-17 160 63.546 0.00467086 -3.53999 63.546000 Cu 0.869587 0.744392 1.00264e-17 161 63.546 0.00455706 -3.54009 63.546000 Cu 0.998335 0.707899 0 118 63.546 2.58658e-05 -3.53956 63.546000 Cu 0.931893 0.709286 1.20013e-16 115 63.546 0.00169151 -3.53977 63.546000 Cu 0.967199 0.725219 0.5 121 63.546 0.000355121 -3.53976 63.546000 Cu 0.900716 0.72677 0.5 162 63.546 0.00340865 -3.54019 63.546000 Cu 0.936087 0.742573 0 164 63.546 0.00151777 -3.54008 63.546000 Cu 0.971526 0.7585 0.5 166 63.546 0.0002239 -3.53971 63.546000 Cu 0.904981 0.759999 0.5 167 63.546 0.00326068 -3.53999 63.546000 Cu 0.0733658 0.773084 2.11849e-17 123 63.546 0.00175252 -3.53979 63.546000 Cu 0.108608 0.788946 0.5 129 63.546 0.00401054 -3.54009 63.546000 Cu 0.00691963 0.774491 0 168 63.546 0.000138382 -3.5393 63.546000 Cu 0.0113038 0.807786 1.49955e-20 169 63.546 0.000327661 -3.53884 63.546000 Cu 0.042291 0.790492 0.5 170 63.546 0.000851583 -3.53925 63.546000 Cu 0.0776771 0.806516 0 172 63.546 0.00243817 -3.53939 63.546000 Cu 0.113035 0.822496 0.5 174 63.546 0.00629553 -3.53954 63.546000 Cu 0.205854 0.768457 8.36412e-17 89 63.546 0.0039911 -3.53864 63.546000 Cu 0.139674 0.771202 0 126 63.546 0.00552672 -3.5404 63.546000 Cu 0.143854 0.804698 7.29438e-17 127 63.546 0.0089457 -3.54034 63.546000 Cu 0.174791 0.786664 0.5 128 63.546 0.00817821 -3.53992 63.546000 Cu 0.209944 0.801788 9.3722e-21 130 63.546 0.00538967 -3.53886 63.546000 Cu 0.179081 0.820163 0.5 132 63.546 0.0127447 -3.53996 63.546000 Cu 0.240946 0.783354 0.5 383 63.546 0.000785176 -3.53761 63.546000 Cu 0.24517 0.816545 0.5 411 63.546 0.00131047 -3.53694 63.546000 Cu 0.272104 0.765023 2.97567e-17 380 63.546 0.00161549 -3.53748 63.546000 Cu 0.276213 0.798105 1.03244e-17 381 63.546 0.00371189 -3.53716 63.546000 Cu 0.307354 0.779943 0.5 382 63.546 0.00593006 -3.53829 63.546000 Cu 0.342767 0.795071 9.30472e-18 384 63.546 0.00717141 -3.5389 63.546000 Cu 0.311606 0.812911 0.5 387 63.546 0.0105988 -3.53679 63.546000 Cu 0.373903 0.777403 0.5 351 63.546 0.00514163 -3.53972 63.546000 Cu 0.40936 0.793036 0 349 63.546 0.00307897 -3.53981 63.546000 Cu 0.440433 0.775687 0.5 350 63.546 0.0012753 -3.53968 63.546000 Cu 0.4759 0.791639 0 352 63.546 0.000337502 -3.53934 63.546000 Cu 0.444851 0.808888 0.5 355 63.546 0.00119488 -3.53949 63.546000 Cu 0.378236 0.810459 0.5 386 63.546 0.00576733 -3.53936 63.546000 Cu 0.54233 0.790411 0 311 63.546 0.00080521 -3.53921 63.546000 Cu 0.573296 0.773015 0.5 312 63.546 0.00251689 -3.53966 63.546000 Cu 0.506896 0.774369 0.5 313 63.546 8.57711e-05 -3.53926 63.546000 Cu 0.608648 0.788862 0 314 63.546 0.00484688 -3.54 63.546000 Cu 0.577733 0.806437 0.5 317 63.546 0.00303633 -3.53938 63.546000 Cu 0.511344 0.807694 0.5 354 63.546 0.000170459 -3.53901 63.546000 Cu 0.613095 0.822369 0 315 63.546 0.00641436 -3.5396 63.546000 Cu 0.674868 0.786492 1.8452e-17 265 63.546 0.00427546 -3.54006 63.546000 Cu 0.705818 0.768336 0.5 266 63.546 0.00176446 -3.53935 63.546000 Cu 0.639592 0.771085 0.5 267 63.546 0.0050885 -3.54036 63.546000 Cu 0.710064 0.801683 0.5 271 63.546 0.00295696 -3.53937 63.546000 Cu 0.643961 0.804544 0.5 316 63.546 0.00698141 -3.54023 63.546000 Cu 0.67917 0.819996 2.54324e-17 318 63.546 0.00785163 -3.54004 63.546000 Cu 0.741034 0.783358 8.38737e-17 268 63.546 0.000481109 -3.53854 63.546000 Cu 0.745216 0.816601 1.02867e-16 269 63.546 0.00160972 -3.53766 63.546000 Cu 0.807385 0.780095 0 215 63.546 0.00384063 -3.53821 63.546000 Cu 0.772076 0.765123 0.5 217 63.546 0.000595092 -3.5384 63.546000 Cu 0.842759 0.795219 0.5 221 63.546 0.00665519 -3.53854 63.546000 Cu 0.776275 0.798245 0.5 270 63.546 0.00176031 -3.53732 63.546000 Cu 0.811605 0.813085 6.13279e-17 272 63.546 0.00795897 -3.53655 63.546000 Cu 0.873878 0.777532 0 218 63.546 0.00516854 -3.53959 63.546000 Cu 0.940404 0.775802 0 165 63.546 0.00133611 -3.53965 63.546000 Cu 0.975841 0.791746 0.5 171 63.546 0.000329115 -3.53905 63.546000 Cu 0.878221 0.810584 4.56051e-18 219 63.546 0.00609822 -3.53919 63.546000 Cu 0.909319 0.793151 0.5 220 63.546 0.00332152 -3.53968 63.546000 Cu 0.944811 0.808988 6.87207e-17 222 63.546 0.00133172 -3.53927 63.546000 Cu 0.0468176 0.823899 0.5 175 63.546 0.00102815 -3.5386 63.546000 Cu 0.0822401 0.840045 4.54645e-17 173 63.546 0.00336761 -3.53851 63.546000 Cu 0.0159391 0.841117 3.56143e-20 226 63.546 0.000491938 -3.53838 63.546000 Cu 0.020446 0.874473 0 227 63.546 0.000608369 -3.53768 63.546000 Cu 0.0513808 0.857358 0.5 228 63.546 0.00130445 -3.53777 63.546000 Cu 0.0867323 0.873658 3.50951e-17 230 63.546 0.0043881 -3.5374 63.546000 Cu 0.117547 0.856161 0.5 179 63.546 0.0100054 -3.53876 63.546000 Cu 0.214275 0.83519 0 131 63.546 0.00838176 -3.53816 63.546000 Cu 0.148325 0.838318 0 176 63.546 0.0143761 -3.53983 63.546000 Cu 0.152779 0.872098 0 177 63.546 0.023419 -3.53908 63.546000 Cu 0.183483 0.853799 0.5 178 63.546 0.0215016 -3.5394 63.546000 Cu 0.218552 0.868743 5.62332e-20 180 63.546 0.0170677 -3.53707 63.546000 Cu 0.249386 0.849761 0.5 415 63.546 0.00343587 -3.5352 63.546000 Cu 0.347083 0.827982 0 385 63.546 0.0116542 -3.53788 63.546000 Cu 0.280438 0.831084 0 412 63.546 0.00963289 -3.5348 63.546000 Cu 0.284561 0.863964 0 413 63.546 0.0262865 -3.52937 63.546000 Cu 0.315854 0.845729 0.5 414 63.546 0.022767 -3.53483 63.546000 Cu 0.351405 0.860768 9.3722e-21 416 63.546 0.0182545 -3.53676 63.546000 Cu 0.319995 0.878322 0.5 419 63.546 0.0546636 -3.52992 63.546000 Cu 0.480359 0.8249 3.57531e-17 353 63.546 0.000373926 -3.53889 63.546000 Cu 0.41377 0.826136 2.47745e-17 388 63.546 0.00290629 -3.53954 63.546000 Cu 0.418254 0.859169 5.86437e-17 389 63.546 0.00275125 -3.53892 63.546000 Cu 0.449344 0.842045 0.5 390 63.546 0.00123326 -3.53903 63.546000 Cu 0.382664 0.843421 0.5 391 63.546 0.0064971 -3.53898 63.546000 Cu 0.484907 0.85814 5.24805e-17 392 63.546 0.000505556 -3.53859 63.546000 Cu 0.453862 0.875155 0.5 395 63.546 0.00130953 -3.53865 63.546000 Cu 0.387056 0.87625 0.5 418 63.546 0.00759001 -3.53803 63.546000 Cu 0.546808 0.823811 2.07932e-17 356 63.546 0.00109943 -3.53875 63.546000 Cu 0.551394 0.857248 6.56054e-20 357 63.546 0.00137212 -3.53798 63.546000 Cu 0.582249 0.839927 0.5 358 63.546 0.00354134 -3.53869 63.546000 Cu 0.515888 0.841027 0.5 359 63.546 0.000336981 -3.53853 63.546000 Cu 0.586812 0.873505 0.5 363 63.546 0.00399709 -3.53738 63.546000 Cu 0.520471 0.874373 0.5 394 63.546 0.000583453 -3.53786 63.546000 Cu 0.617624 0.855999 6.86944e-17 360 63.546 0.00874643 -3.53874 63.546000 Cu 0.683543 0.853677 0 319 63.546 0.0171193 -3.53963 63.546000 Cu 0.714315 0.83514 0.5 320 63.546 0.00703996 -3.53899 63.546000 Cu 0.648396 0.838147 0.5 321 63.546 0.0110313 -3.53983 63.546000 Cu 0.718577 0.868745 0.5 325 63.546 0.0178341 -3.53774 63.546000 Cu 0.652857 0.871945 0.5 362 63.546 0.0196334 -3.53889 63.546000 Cu 0.749404 0.849856 0 322 63.546 0.00446151 -3.53594 63.546000 Cu 0.815887 0.845884 4.31121e-20 273 63.546 0.0196749 -3.53443 63.546000 Cu 0.847095 0.828118 0.5 274 63.546 0.0116137 -3.5377 63.546000 Cu 0.780454 0.83125 0.5 275 63.546 0.00636903 -3.53499 63.546000 Cu 0.851458 0.860871 0.5 279 63.546 0.0188883 -3.53663 63.546000 Cu 0.784596 0.864105 0.5 324 63.546 0.0222095 -3.52898 63.546000 Cu 0.820059 0.878442 1.12466e-20 326 63.546 0.05122 -3.5294 63.546000 Cu 0.949408 0.842135 0 223 63.546 0.00136948 -3.53915 63.546000 Cu 0.980375 0.824989 0.5 224 63.546 0.000410349 -3.53877 63.546000 Cu 0.9138 0.826238 0.5 225 63.546 0.00314441 -3.53946 63.546000 Cu 0.984947 0.858228 0.5 229 63.546 0.000620175 -3.53859 63.546000 Cu 0.882713 0.843513 0 276 63.546 0.00751662 -3.53892 63.546000 Cu 0.887095 0.876327 0 277 63.546 0.00847 -3.53817 63.546000 Cu 0.918302 0.859254 0.5 278 63.546 0.00297088 -3.53899 63.546000 Cu 0.953884 0.875245 1.87444e-21 280 63.546 0.0013443 -3.5386 63.546000 Cu 0.0913326 0.907348 3.35262e-17 231 63.546 0.00484486 -3.53553 63.546000 Cu 0.0558906 0.890869 0.5 233 63.546 0.00140174 -3.53683 63.546000 Cu 0.0249408 0.907865 7.3911e-17 284 63.546 0.000956193 -3.53692 63.546000 Cu 0.0603834 0.924419 0.5 286 63.546 0.00304042 -3.53549 63.546000 Cu 0.0957362 0.941043 8.39749e-19 288 63.546 0.0101663 -3.53413 63.546000 Cu 0.122093 0.889947 0.5 232 63.546 0.0136879 -3.53696 63.546000 Cu 0.222835 0.9026 9.72834e-18 181 63.546 0.0505203 -3.53255 63.546000 Cu 0.187909 0.887677 0.5 182 63.546 0.0414062 -3.53788 63.546000 Cu 0.157398 0.906092 2.65889e-17 234 63.546 0.0368389 -3.53585 63.546000 Cu 0.162217 0.940347 5.57458e-18 235 63.546 0.0585711 -3.52616 63.546000 Cu 0.192463 0.921986 0.5 236 63.546 0.0961553 -3.5286 63.546000 Cu 0.126745 0.92384 0.5 237 63.546 0.0143997 -3.53224 63.546000 Cu 0.227512 0.93707 0 238 63.546 0.250018 -3.50479 63.546000 Cu 0.355673 0.893341 0 417 63.546 0.0277695 -3.53566 63.546000 Cu 0.253425 0.883088 0.5 433 63.546 0.0143705 -3.53004 63.546000 Cu 0.288517 0.896552 2.9991e-20 434 63.546 0.100634 -3.51291 63.546000 Cu 0.292602 0.92855 0 435 63.546 0.519153 -3.46266 63.546000 Cu 0.324106 0.910583 0.5 436 63.546 0.141816 -3.52295 63.546000 Cu 0.257202 0.916694 0.5 437 63.546 0.0860203 -3.51129 63.546000 Cu 0.360018 0.92575 0 438 63.546 0.0306008 -3.53631 63.546000 Cu 0.422711 0.892106 0 420 63.546 0.00271111 -3.53868 63.546000 Cu 0.427096 0.92499 4.4846e-17 421 63.546 0.00331279 -3.53872 63.546000 Cu 0.458336 0.908239 0.5 422 63.546 0.00131715 -3.5384 63.546000 Cu 0.39139 0.908953 0.5 423 63.546 0.00732187 -3.53863 63.546000 Cu 0.489454 0.891363 2.28813e-17 393 63.546 0.000675607 -3.53813 63.546000 Cu 0.493876 0.92458 0 424 63.546 0.00268258 -3.53752 63.546000 Cu 0.555953 0.890725 0 396 63.546 0.00137263 -3.5368 63.546000 Cu 0.560436 0.924243 5.58302e-17 397 63.546 0.00254525 -3.53539 63.546000 Cu 0.591379 0.907166 0.5 398 63.546 0.00378747 -3.53524 63.546000 Cu 0.524987 0.907732 0.5 399 63.546 0.000907098 -3.5369 63.546000 Cu 0.595799 0.94088 0.5 403 63.546 0.0092552 -3.53394 63.546000 Cu 0.529165 0.941099 0.5 426 63.546 0.00859117 -3.53735 63.546000 Cu 0.62216 0.889778 1.61577e-17 361 63.546 0.0115963 -3.53666 63.546000 Cu 0.687924 0.887615 1.24039e-16 364 63.546 0.0400276 -3.53801 63.546000 Cu 0.692441 0.921969 9.396e-17 365 63.546 0.0998636 -3.52888 63.546000 Cu 0.722817 0.902625 0.5 366 63.546 0.0535821 -3.53315 63.546000 Cu 0.6574 0.905987 0.5 367 63.546 0.0351927 -3.53562 63.546000 Cu 0.727504 0.937077 0.5 371 63.546 0.250811 -3.50539 63.546000 Cu 0.626759 0.923696 0 400 63.546 0.0126516 -3.53185 63.546000 Cu 0.662226 0.940298 0.5 402 63.546 0.0597798 -3.5258 63.546000 Cu 0.753443 0.883173 4.12377e-20 323 63.546 0.0163204 -3.53038 63.546000 Cu 0.824188 0.910676 8.42185e-18 327 63.546 0.138167 -3.52262 63.546000 Cu 0.855734 0.893438 0.5 328 63.546 0.0274806 -3.53572 63.546000 Cu 0.788565 0.896642 0.5 329 63.546 0.0974396 -3.51242 63.546000 Cu 0.860109 0.925848 0.5 333 63.546 0.030062 -3.53633 63.546000 Cu 0.757217 0.916734 1.88906e-17 368 63.546 0.086394 -3.51234 63.546000 Cu 0.792669 0.928597 0.5 370 63.546 0.512753 -3.46215 63.546000 Cu 0.989436 0.891463 0.5 282 63.546 0.000817553 -3.53799 63.546000 Cu 0.993827 0.924698 0.5 287 63.546 0.00282282 -3.53756 63.546000 Cu 0.958323 0.908333 0 281 63.546 0.00140894 -3.53833 63.546000 Cu 0.922729 0.892189 0.5 283 63.546 0.00285515 -3.53872 63.546000 Cu 0.891433 0.909044 0 330 63.546 0.00755381 -3.5389 63.546000 Cu 0.927106 0.925091 0.5 332 63.546 0.0036171 -3.53892 63.546000 Cu 0.0290762 0.941252 1.87444e-21 285 63.546 0.00854987 -3.53736 63.546000 Cu 0.0982211 0.974625 0 289 63.546 0.0494813 -3.53966 63.546000 Cu 0.0639338 0.957916 0.5 291 63.546 0.022709 -3.53845 63.546000 Cu 0.0310899 0.974617 0 338 63.546 0.0295142 -3.54077 63.546000 Cu 0.0639925 0.991343 0.5 339 63.546 0.0242834 -3.53863 63.546000 Cu 0.235585 0.974473 0 239 63.546 4.54025 -3.51866 63.546000 Cu 0.197681 0.957129 0.5 240 63.546 0.342573 -3.49529 63.546000 Cu 0.130949 0.957726 0.5 290 63.546 0.0358684 -3.53122 63.546000 Cu 0.165942 0.974527 1.87444e-21 292 63.546 0.151177 -3.51932 63.546000 Cu 0.197765 0.991834 0.5 293 63.546 0.349099 -3.49538 63.546000 Cu 0.131009 0.991428 0.5 294 63.546 0.0381587 -3.53097 63.546000 Cu 0.261197 0.997691 0.5 511 63.546 5.7217 -3.40754 63.546000 Cu 0.328677 0.942443 0.5 441 63.546 0.414379 -3.50338 63.546000 Cu 0.261035 0.951163 0.5 447 63.546 5.7529 -3.40567 63.546000 Cu 0.298349 0.959354 2.69145e-16 448 63.546 5.6228 -3.26113 63.546000 Cu 0.298543 0.989498 2.44644e-16 449 63.546 5.63642 -3.25982 63.546000 Cu 0.331378 0.974403 0.5 450 63.546 3.28354 -3.46793 63.546000 Cu 0.364295 0.958122 2.45137e-16 439 63.546 0.0537095 -3.53393 63.546000 Cu 0.364469 0.990614 1.3961e-16 452 63.546 0.0590591 -3.5335 63.546000 Cu 0.462471 0.941294 0.5 427 63.546 0.00881503 -3.53842 63.546000 Cu 0.395697 0.941602 0.5 440 63.546 0.0120299 -3.53835 63.546000 Cu 0.430662 0.957895 0 442 63.546 0.0248036 -3.53837 63.546000 Cu 0.430774 0.990855 0 443 63.546 0.0279071 -3.5386 63.546000 Cu 0.46449 0.974402 0.5 444 63.546 0.0285323 -3.54028 63.546000 Cu 0.397936 0.974362 0.5 445 63.546 0.0318231 -3.54064 63.546000 Cu 0.497273 0.95781 4.49865e-20 425 63.546 0.0211052 -3.5395 63.546000 Cu 0.497343 0.991046 0 446 63.546 0.023372 -3.53948 63.546000 Cu 0.564056 0.957759 3.74888e-20 428 63.546 0.0238041 -3.53858 63.546000 Cu 0.564108 0.991213 1.19964e-19 429 63.546 0.0254599 -3.53871 63.546000 Cu 0.59833 0.974508 0.5 430 63.546 0.0514134 -3.53982 63.546000 Cu 0.53124 0.974465 0.5 431 63.546 0.0318664 -3.5408 63.546000 Cu 0.631025 0.957637 0 401 63.546 0.0369819 -3.53105 63.546000 Cu 0.697761 0.957117 0 404 63.546 0.352119 -3.49582 63.546000 Cu 0.697796 0.991794 5.32003e-17 405 63.546 0.350322 -3.49518 63.546000 Cu 0.735609 0.974412 0.5 406 63.546 4.54838 -3.51928 63.546000 Cu 0.666006 0.974487 0.5 407 63.546 0.153095 -3.51926 63.546000 Cu 0.631068 0.991359 1.87444e-20 432 63.546 0.0378812 -3.53099 63.546000 Cu 0.761184 0.997681 1.04969e-19 454 63.546 5.71745 -3.40641 63.546000 Cu 0.761125 0.9511 0 369 63.546 5.77541 -3.40629 63.546000 Cu 0.828773 0.94251 1.79946e-19 372 63.546 0.408448 -3.50223 63.546000 Cu 0.831369 0.974443 1 373 63.546 3.30288 -3.46786 63.546000 Cu 0.798364 0.959348 0.5 375 63.546 5.61088 -3.26032 63.546000 Cu 0.79848 0.989509 0.5 409 63.546 5.63535 -3.25897 63.546000 Cu 0.864321 0.958229 0.5 374 63.546 0.0541443 -3.53365 63.546000 Cu 0.864394 0.99073 0.5 378 63.546 0.0575401 -3.53363 63.546000 Cu 0.997151 0.957957 0.5 336 63.546 0.0199751 -3.53967 63.546000 Cu 0.99722 0.991218 0.5 340 63.546 0.0219293 -3.53963 63.546000 Cu 0.895739 0.94172 9.93453e-20 331 63.546 0.0128568 -3.53868 63.546000 Cu 0.962416 0.941418 0 334 63.546 0.00896646 -3.53868 63.546000 Cu 0.964367 0.974574 1 335 63.546 0.0265872 -3.54056 63.546000 Cu 0.930607 0.958044 0.5 337 63.546 0.0243542 -3.53876 63.546000 Cu 0.897875 0.974522 1.14341e-19 376 63.546 0.0306341 -3.54076 63.546000 Cu 0.930678 0.991047 0.5 377 63.546 0.0267856 -3.53878