Number of particles = 920 A = 1 Angstrom (basic length-scale) H0(1,1) = 27.2846 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 109.305 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.5838 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 0.0759028 0.0143957 0 480 63.546 3.9225 -3.28722 63.546000 Cu 0.0157244 0.0189431 0.5 481 63.546 0.912562 -3.45408 63.546000 Cu 0.139152 0.00484095 0.5 483 63.546 7.81233 -3.44302 63.546000 Cu 0.0406569 0.0347375 0 495 63.546 0.135277 -3.49931 63.546000 Cu 0.103592 0.0279373 0.5 497 63.546 0.118574 -3.48371 63.546000 Cu 0.163174 0.0204281 1 499 63.546 1.13196 -3.45474 63.546000 Cu 0.248184 0.0300148 6.21756e-16 500 63.546 0.0366886 -3.50096 63.546000 Cu 0.221811 0.0149895 0.5 501 63.546 2.53843 -3.36203 63.546000 Cu 0.1885 0.0363707 0.5 502 63.546 0.0177682 -3.5119 63.546000 Cu 0.279911 0.00759296 3.71142e-16 503 63.546 3.20083 -3.43757 63.546000 Cu 0.307119 0.024049 0.5 506 63.546 0.228163 -3.47647 63.546000 Cu 0.370589 0.0168886 0 504 63.546 0.450817 -3.46099 63.546000 Cu 0.340886 0.00397718 0.5 505 63.546 8.65629 -3.23906 63.546000 Cu 0.493857 0.00407799 2.18546e-16 507 63.546 11.2914 -3.32685 63.546000 Cu 0.431009 0.00789001 0.5 508 63.546 5.49003 -3.46035 63.546000 Cu 0.396069 0.0313303 0.5 532 63.546 0.118159 -3.51753 63.546000 Cu 0.455754 0.0248861 4.21119e-17 534 63.546 0.114204 -3.49834 63.546000 Cu 0.540657 0.0347375 1 535 63.546 0.135277 -3.49931 63.546000 Cu 0.515724 0.0189431 0.5 536 63.546 0.912562 -3.45408 63.546000 Cu 0.575903 0.0143957 2.48315e-16 538 63.546 3.9225 -3.28722 63.546000 Cu 0.663174 0.0204281 3.91956e-16 539 63.546 1.13196 -3.45474 63.546000 Cu 0.639152 0.00484095 0.5 540 63.546 7.81233 -3.44302 63.546000 Cu 0.603592 0.0279373 0.5 541 63.546 0.118574 -3.48371 63.546000 Cu 0.779911 0.00759296 5.22406e-16 467 63.546 3.20083 -3.43757 63.546000 Cu 0.721811 0.0149895 0.5 468 63.546 2.53843 -3.36203 63.546000 Cu 0.748184 0.0300148 2.2254e-16 471 63.546 0.0366886 -3.50096 63.546000 Cu 0.807119 0.024049 0.5 473 63.546 0.228163 -3.47647 63.546000 Cu 0.6885 0.0363707 0.5 573 63.546 0.0177682 -3.5119 63.546000 Cu 0.840886 0.00397718 0.5 469 63.546 8.65629 -3.23906 63.546000 Cu 0.870589 0.0168886 3.71021e-16 475 63.546 0.450817 -3.46099 63.546000 Cu 0.955754 0.0248861 1 476 63.546 0.114204 -3.49834 63.546000 Cu 0.931009 0.00789001 0.5 477 63.546 5.49003 -3.46035 63.546000 Cu 0.896069 0.0313303 0.5 478 63.546 0.118159 -3.51753 63.546000 Cu 0.993857 0.00407799 1 479 63.546 11.2914 -3.32685 63.546000 Cu 0.00693334 0.0559399 1 492 63.546 0.0149656 -3.5154 63.546000 Cu 0.128343 0.0426879 1 496 63.546 0.0284311 -3.52608 63.546000 Cu 0.0676192 0.0494059 0.5 498 63.546 0.00822007 -3.52081 63.546000 Cu 0.0333147 0.0709596 0.5 520 63.546 0.000970719 -3.52077 63.546000 Cu 0.0936406 0.0644 1 522 63.546 0.00209109 -3.52369 63.546000 Cu 0.153864 0.0579387 0.5 524 63.546 0.00144993 -3.52322 63.546000 Cu 0.179843 0.0731176 3.63034e-19 523 63.546 0.000785091 -3.52079 63.546000 Cu 0.214111 0.0515942 1.23795e-16 526 63.546 0.00337492 -3.5184 63.546000 Cu 0.300792 0.0600972 1 527 63.546 0.00174264 -3.52051 63.546000 Cu 0.274281 0.0452731 0.5 528 63.546 0.0222299 -3.51392 63.546000 Cu 0.240174 0.0666851 0.5 529 63.546 0.00275925 -3.51943 63.546000 Cu 0.326866 0.0750796 0.5 562 63.546 0.0022155 -3.5229 63.546000 Cu 0.335269 0.0384802 0 530 63.546 0.015542 -3.51635 63.546000 Cu 0.421394 0.0467565 1 531 63.546 0.0139807 -3.52292 63.546000 Cu 0.361353 0.0533426 0.5 533 63.546 0.013035 -3.52391 63.546000 Cu 0.480981 0.0405454 0.5 537 63.546 0.0105022 -3.51222 63.546000 Cu 0.387096 0.0685366 1 564 63.546 0.00338614 -3.52271 63.546000 Cu 0.446998 0.0621603 0.5 566 63.546 0.00176131 -3.51932 63.546000 Cu 0.506933 0.0559399 1 568 63.546 0.0149655 -3.5154 63.546000 Cu 0.593641 0.0644 2.47105e-16 569 63.546 0.00209122 -3.52369 63.546000 Cu 0.567619 0.0494059 0.5 570 63.546 0.00822012 -3.52081 63.546000 Cu 0.533315 0.0709596 0.5 571 63.546 0.000970733 -3.52076 63.546000 Cu 0.628343 0.0426879 0 572 63.546 0.0284312 -3.52608 63.546000 Cu 0.653864 0.0579387 0.5 574 63.546 0.00144992 -3.52322 63.546000 Cu 0.714111 0.0515942 1 470 63.546 0.00337482 -3.5184 63.546000 Cu 0.774281 0.0452732 0.5 474 63.546 0.0222299 -3.51392 63.546000 Cu 0.740174 0.0666851 0.5 485 63.546 0.00275921 -3.51943 63.546000 Cu 0.800792 0.0600972 2.79657e-16 487 63.546 0.0017427 -3.52051 63.546000 Cu 0.826866 0.0750797 0.5 490 63.546 0.00221536 -3.5229 63.546000 Cu 0.679843 0.0731176 1 607 63.546 0.000784881 -3.52079 63.546000 Cu 0.835269 0.0384802 3.26609e-16 472 63.546 0.0155421 -3.51635 63.546000 Cu 0.887096 0.0685366 0 488 63.546 0.00338599 -3.52271 63.546000 Cu 0.861353 0.0533426 0.5 489 63.546 0.013035 -3.52391 63.546000 Cu 0.921394 0.0467565 1 491 63.546 0.0139806 -3.52292 63.546000 Cu 0.980981 0.0405454 0.5 493 63.546 0.0105022 -3.51222 63.546000 Cu 0.946997 0.0621603 0.5 494 63.546 0.00176136 -3.51932 63.546000 Cu 0.0594541 0.0860249 1 519 63.546 0.000126176 -3.52203 63.546000 Cu 0.119627 0.079549 0.5 525 63.546 0.000178302 -3.52183 63.546000 Cu 0.0252865 0.107621 2.42023e-19 552 63.546 3.29798e-05 -3.52162 63.546000 Cu 0.0855612 0.101141 0.5 554 63.546 3.04657e-05 -3.52162 63.546000 Cu 0.145762 0.0946737 1 556 63.546 0.000153518 -3.52092 63.546000 Cu 0.23227 0.103246 1 557 63.546 9.25865e-05 -3.52136 63.546000 Cu 0.206033 0.0882025 0.5 558 63.546 0.000432324 -3.52062 63.546000 Cu 0.171948 0.109758 0.5 559 63.546 6.96479e-05 -3.52105 63.546000 Cu 0.266442 0.0816689 1 560 63.546 0.000260276 -3.52129 63.546000 Cu 0.292571 0.0967161 0.5 563 63.546 0.000555751 -3.52205 63.546000 Cu 0.318618 0.111842 3.22979e-16 595 63.546 0.000203017 -3.52187 63.546000 Cu 0.352822 0.0902109 1.21011e-19 561 63.546 0.000814163 -3.52222 63.546000 Cu 0.473022 0.0774098 1 565 63.546 0.00178425 -3.51953 63.546000 Cu 0.412931 0.08378 0.5 567 63.546 0.000268308 -3.52099 63.546000 Cu 0.378798 0.105386 0.5 597 63.546 5.15263e-05 -3.52149 63.546000 Cu 0.438943 0.0989637 1.25973e-16 599 63.546 0.000269552 -3.52077 63.546000 Cu 0.49917 0.0925214 0.5 601 63.546 0.000275081 -3.52121 63.546000 Cu 0.465037 0.114089 0.5 602 63.546 0.000101743 -3.52116 63.546000 Cu 0.525287 0.107621 1 600 63.546 3.27995e-05 -3.52162 63.546000 Cu 0.559454 0.0860249 4.14343e-16 603 63.546 0.000126301 -3.52202 63.546000 Cu 0.645762 0.0946738 2.28832e-16 604 63.546 0.000153204 -3.52092 63.546000 Cu 0.619627 0.079549 0.5 605 63.546 0.000178239 -3.52183 63.546000 Cu 0.585561 0.101141 0.5 606 63.546 3.02544e-05 -3.52162 63.546000 Cu 0.766442 0.081669 5.30271e-16 484 63.546 0.000260434 -3.52129 63.546000 Cu 0.706033 0.0882026 0.5 486 63.546 0.000432245 -3.52062 63.546000 Cu 0.732269 0.103246 1.14719e-16 510 63.546 9.30198e-05 -3.52136 63.546000 Cu 0.818617 0.111842 9.89509e-16 511 63.546 0.000202409 -3.52187 63.546000 Cu 0.792571 0.0967163 0.5 512 63.546 0.000555611 -3.52205 63.546000 Cu 0.671948 0.109758 0.5 639 63.546 6.97271e-05 -3.52105 63.546000 Cu 0.852822 0.090211 5.53022e-17 514 63.546 0.000813799 -3.52222 63.546000 Cu 0.938942 0.0989637 1 515 63.546 0.000269945 -3.52077 63.546000 Cu 0.912931 0.08378 0.5 516 63.546 0.000268343 -3.52099 63.546000 Cu 0.878798 0.105386 0.5 517 63.546 5.15648e-05 -3.5215 63.546000 Cu 0.973022 0.0774098 1.21011e-19 518 63.546 0.0017845 -3.51953 63.546000 Cu 0.99917 0.0925214 0.5 521 63.546 0.000275189 -3.52121 63.546000 Cu 0.965036 0.114088 0.5 550 63.546 0.000102216 -3.52116 63.546000 Cu 0.111669 0.116241 1 553 63.546 3.11335e-05 -3.52115 63.546000 Cu 0.0513932 0.122713 0.5 555 63.546 8.47285e-06 -3.52141 63.546000 Cu 0.0171665 0.144282 0.5 585 63.546 1.87843e-05 -3.52134 63.546000 Cu 0.0774642 0.137809 1.00318e-16 587 63.546 2.01691e-05 -3.52142 63.546000 Cu 0.163806 0.146413 0 588 63.546 4.00616e-05 -3.52146 63.546000 Cu 0.13777 0.131325 0.5 589 63.546 2.15689e-05 -3.52129 63.546000 Cu 0.103484 0.1529 0.5 590 63.546 3.54497e-05 -3.52135 63.546000 Cu 0.198065 0.124831 1.07337e-16 591 63.546 3.38488e-05 -3.52143 63.546000 Cu 0.284373 0.133447 1 592 63.546 6.59942e-05 -3.52158 63.546000 Cu 0.258383 0.118327 0.5 593 63.546 0.00021947 -3.52175 63.546000 Cu 0.224116 0.139922 0.5 594 63.546 9.53261e-05 -3.52153 63.546000 Cu 0.310329 0.148576 0.5 628 63.546 1.41829e-05 -3.52138 63.546000 Cu 0.404813 0.120546 3.90866e-16 596 63.546 0.000112767 -3.52118 63.546000 Cu 0.344616 0.126989 0.5 598 63.546 2.71448e-05 -3.52144 63.546000 Cu 0.370583 0.142122 1.68206e-17 630 63.546 4.60476e-05 -3.5213 63.546000 Cu 0.456874 0.150757 1.25368e-16 631 63.546 2.80903e-05 -3.52133 63.546000 Cu 0.430844 0.13566 0.5 632 63.546 4.81461e-05 -3.52118 63.546000 Cu 0.49111 0.129191 3.11483e-16 634 63.546 1.98991e-05 -3.52128 63.546000 Cu 0.577464 0.13781 2.47347e-16 635 63.546 2.01328e-05 -3.52142 63.546000 Cu 0.551393 0.122713 0.5 636 63.546 8.4249e-06 -3.52141 63.546000 Cu 0.517167 0.144282 0.5 637 63.546 1.86744e-05 -3.52135 63.546000 Cu 0.611669 0.116242 3.71021e-16 638 63.546 3.08609e-05 -3.52115 63.546000 Cu 0.637769 0.131326 0.5 640 63.546 2.19444e-05 -3.52129 63.546000 Cu 0.603483 0.152902 0.5 671 63.546 3.58711e-05 -3.52136 63.546000 Cu 0.663805 0.146415 0 673 63.546 4.05947e-05 -3.52146 63.546000 Cu 0.698064 0.124832 4.24629e-16 509 63.546 3.4229e-05 -3.52143 63.546000 Cu 0.758382 0.118327 0.5 513 63.546 0.000219337 -3.52175 63.546000 Cu 0.724114 0.139924 0.5 543 63.546 9.51112e-05 -3.52153 63.546000 Cu 0.784372 0.133448 0 544 63.546 6.51498e-05 -3.52158 63.546000 Cu 0.810326 0.148577 0.5 547 63.546 1.4441e-05 -3.52139 63.546000 Cu 0.870581 0.142122 3.52869e-16 545 63.546 4.69662e-05 -3.52131 63.546000 Cu 0.844615 0.126989 0.5 546 63.546 2.722e-05 -3.52144 63.546000 Cu 0.904812 0.120546 1.54047e-16 548 63.546 0.000113433 -3.52118 63.546000 Cu 0.991109 0.129191 0 549 63.546 2.01897e-05 -3.52128 63.546000 Cu 0.930843 0.13566 0.5 551 63.546 4.88965e-05 -3.52118 63.546000 Cu 0.956872 0.150757 1 583 63.546 2.87631e-05 -3.52133 63.546000 Cu 0.0431493 0.159377 2.56302e-16 584 63.546 2.3486e-05 -3.52128 63.546000 Cu 0.00870308 0.180946 0 618 63.546 7.8326e-06 -3.5213 63.546000 Cu 0.0949126 0.18957 7.42162e-16 619 63.546 4.44047e-06 -3.52139 63.546000 Cu 0.0690528 0.17447 0.5 620 63.546 8.5237e-06 -3.52127 63.546000 Cu 0.129407 0.167992 2.0463e-16 622 63.546 2.3268e-05 -3.52137 63.546000 Cu 0.155262 0.183095 0.5 625 63.546 5.45714e-06 -3.52144 63.546000 Cu 0.215606 0.176622 4.76784e-17 623 63.546 8.73058e-06 -3.52145 63.546000 Cu 0.189747 0.161511 0.5 624 63.546 4.70162e-05 -3.52149 63.546000 Cu 0.250062 0.155035 0 626 63.546 6.0766e-05 -3.52149 63.546000 Cu 0.27593 0.170158 0.5 629 63.546 1.03143e-05 -3.52139 63.546000 Cu 0.241444 0.191735 0.5 659 63.546 1.25249e-06 -3.52137 63.546000 Cu 0.301787 0.185268 1.04312e-16 661 63.546 3.97209e-06 -3.5213 63.546000 Cu 0.336253 0.163695 1 627 63.546 3.41386e-05 -3.5213 63.546000 Cu 0.396561 0.157231 0.5 633 63.546 4.02466e-05 -3.52131 63.546000 Cu 0.362138 0.1788 0.5 663 63.546 1.03998e-05 -3.52129 63.546000 Cu 0.42249 0.172326 1 665 63.546 1.84329e-05 -3.52131 63.546000 Cu 0.482828 0.165851 0.5 667 63.546 2.56554e-05 -3.52128 63.546000 Cu 0.44835 0.187425 0.5 668 63.546 1.9841e-06 -3.5214 63.546000 Cu 0.508706 0.180947 4.94815e-16 666 63.546 7.08839e-06 -3.52129 63.546000 Cu 0.54315 0.159379 1.89867e-16 669 63.546 2.34246e-05 -3.52129 63.546000 Cu 0.629404 0.167995 0 670 63.546 2.3626e-05 -3.52137 63.546000 Cu 0.569052 0.174473 0.5 672 63.546 8.58576e-06 -3.52127 63.546000 Cu 0.59491 0.189574 0 704 63.546 4.68043e-06 -3.52138 63.546000 Cu 0.655256 0.183099 0.5 706 63.546 5.45809e-06 -3.52144 63.546000 Cu 0.750058 0.155037 1 542 63.546 6.00288e-05 -3.52149 63.546000 Cu 0.715598 0.176626 1 575 63.546 7.88924e-06 -3.52144 63.546000 Cu 0.801776 0.185273 1 576 63.546 4.80633e-06 -3.52131 63.546000 Cu 0.775922 0.170161 0.5 577 63.546 1.03391e-05 -3.52139 63.546000 Cu 0.741432 0.191741 0.5 578 63.546 1.08341e-06 -3.52137 63.546000 Cu 0.689743 0.161514 0.5 674 63.546 4.67329e-05 -3.52149 63.546000 Cu 0.836247 0.163697 0 579 63.546 3.53506e-05 -3.5213 63.546000 Cu 0.922484 0.172327 1 580 63.546 1.92833e-05 -3.52131 63.546000 Cu 0.896557 0.157231 0.5 581 63.546 4.11573e-05 -3.52131 63.546000 Cu 0.862129 0.178803 0.5 582 63.546 1.13661e-05 -3.5213 63.546000 Cu 0.982826 0.165851 0.5 586 63.546 2.6234e-05 -3.52128 63.546000 Cu 0.948344 0.187425 0.5 616 63.546 2.52533e-06 -3.52141 63.546000 Cu 0.0345539 0.196047 0.5 621 63.546 2.79725e-06 -3.5214 63.546000 Cu 4.01495e-05 0.217631 0.5 651 63.546 1.33898e-06 -3.52144 63.546000 Cu 0.0603983 0.211153 2.47105e-16 653 63.546 1.25764e-06 -3.52146 63.546000 Cu 0.146597 0.219787 1 654 63.546 7.30792e-07 -3.52145 63.546000 Cu 0.120752 0.204677 0.5 655 63.546 1.156e-06 -3.52146 63.546000 Cu 0.0862442 0.226261 0.5 656 63.546 9.47475e-07 -3.52145 63.546000 Cu 0.181099 0.198204 3.51417e-16 657 63.546 9.19001e-07 -3.52143 63.546000 Cu 0.267295 0.206844 2.47468e-16 658 63.546 2.38796e-07 -3.52137 63.546000 Cu 0.206948 0.213314 0.5 660 63.546 5.02735e-07 -3.52142 63.546000 Cu 0.327644 0.200375 0.5 664 63.546 1.30047e-06 -3.52137 63.546000 Cu 0.232796 0.22842 1 692 63.546 6.83815e-07 -3.52134 63.546000 Cu 0.293144 0.221951 0.5 694 63.546 9.02813e-07 -3.52134 63.546000 Cu 0.387995 0.193901 1 662 63.546 1.57026e-06 -3.5214 63.546000 Cu 0.353492 0.215481 1 696 63.546 2.15995e-06 -3.52136 63.546000 Cu 0.439696 0.224108 3.41252e-17 697 63.546 8.76397e-07 -3.52139 63.546000 Cu 0.413843 0.209006 0.5 698 63.546 1.5203e-06 -3.52141 63.546000 Cu 0.379344 0.230583 0.5 699 63.546 5.3994e-07 -3.52137 63.546000 Cu 0.474201 0.202528 1.23553e-16 700 63.546 3.2956e-07 -3.52142 63.546000 Cu 0.500049 0.217632 0.5 703 63.546 2.06098e-06 -3.52143 63.546000 Cu 0.560399 0.211157 7.64791e-16 701 63.546 1.85864e-06 -3.52145 63.546000 Cu 0.534556 0.196049 0.5 702 63.546 2.87252e-06 -3.52139 63.546000 Cu 0.620746 0.204683 0.5 707 63.546 1.35772e-06 -3.52145 63.546000 Cu 0.586243 0.226269 0.5 737 63.546 6.76761e-07 -3.52146 63.546000 Cu 0.646587 0.219797 2.47226e-16 739 63.546 4.83654e-07 -3.52147 63.546000 Cu 0.732775 0.228435 5.85695e-17 608 63.546 1.57603e-06 -3.52136 63.546000 Cu 0.706933 0.213324 0.5 609 63.546 2.09856e-07 -3.52144 63.546000 Cu 0.767278 0.206853 1 610 63.546 6.51774e-07 -3.5214 63.546000 Cu 0.827628 0.200381 0.5 612 63.546 2.17145e-06 -3.5214 63.546000 Cu 0.79312 0.221963 0.5 613 63.546 2.85911e-06 -3.52138 63.546000 Cu 0.681089 0.198211 0 705 63.546 6.83316e-07 -3.52143 63.546000 Cu 0.853471 0.215489 2.27259e-16 611 63.546 3.84436e-06 -3.5214 63.546000 Cu 0.887984 0.193905 1 614 63.546 2.09383e-06 -3.52142 63.546000 Cu 0.974193 0.202528 0 615 63.546 2.34268e-07 -3.52144 63.546000 Cu 0.913828 0.20901 0.5 617 63.546 1.96428e-06 -3.52144 63.546000 Cu 0.879318 0.230591 0.5 647 63.546 1.57609e-06 -3.52138 63.546000 Cu 0.939679 0.224112 4.4508e-16 649 63.546 5.65411e-07 -3.52141 63.546000 Cu 0.0258894 0.232737 1.77282e-16 650 63.546 1.22137e-06 -3.52143 63.546000 Cu 0.0775878 0.262938 1 685 63.546 1.22916e-06 -3.52133 63.546000 Cu 0.0517393 0.247839 0.5 686 63.546 8.17079e-07 -3.52132 63.546000 Cu 0.112092 0.241366 0 688 63.546 1.10424e-06 -3.52134 63.546000 Cu 0.13794 0.256465 0.5 691 63.546 1.42753e-06 -3.52135 63.546000 Cu 0.198292 0.249994 0 689 63.546 1.17741e-06 -3.52136 63.546000 Cu 0.172445 0.234892 0.5 690 63.546 8.5118e-07 -3.52135 63.546000 Cu 0.318992 0.237054 2.0935e-16 693 63.546 6.2535e-07 -3.52135 63.546000 Cu 0.258642 0.243523 0.5 695 63.546 5.68013e-07 -3.52135 63.546000 Cu 0.224148 0.265098 0.5 725 63.546 1.81543e-07 -3.52145 63.546000 Cu 0.2845 0.258628 5.12967e-16 727 63.546 1.51064e-07 -3.52143 63.546000 Cu 0.370713 0.26726 8.65836e-16 728 63.546 1.07244e-06 -3.52133 63.546000 Cu 0.344854 0.252157 0.5 729 63.546 9.60068e-08 -3.52141 63.546000 Cu 0.405205 0.245686 1 731 63.546 3.87143e-07 -3.52141 63.546000 Cu 0.491403 0.254319 1 732 63.546 8.07743e-07 -3.52133 63.546000 Cu 0.465553 0.239213 0.5 733 63.546 1.05062e-06 -3.52142 63.546000 Cu 0.43106 0.260789 0.5 734 63.546 1.35243e-06 -3.52133 63.546000 Cu 0.525898 0.232741 0 735 63.546 9.00675e-07 -3.52144 63.546000 Cu 0.612086 0.241378 0 736 63.546 1.509e-06 -3.52133 63.546000 Cu 0.551743 0.247849 0.5 738 63.546 8.95004e-07 -3.52133 63.546000 Cu 0.577579 0.262954 1.21011e-19 770 63.546 1.38498e-06 -3.52132 63.546000 Cu 0.637922 0.256483 0.5 772 63.546 8.84332e-07 -3.52131 63.546000 Cu 0.698266 0.250012 1 641 63.546 2.8892e-07 -3.52132 63.546000 Cu 0.784457 0.258644 3.709e-16 642 63.546 2.86314e-06 -3.5214 63.546000 Cu 0.758611 0.243541 0.5 643 63.546 1.35324e-06 -3.52134 63.546000 Cu 0.724107 0.265118 0.5 644 63.546 2.0414e-06 -3.52141 63.546000 Cu 0.818961 0.237068 6.96662e-16 645 63.546 2.97544e-06 -3.52136 63.546000 Cu 0.67243 0.234907 0.5 740 63.546 1.50417e-06 -3.52135 63.546000 Cu 0.905174 0.24569 4.94694e-16 646 63.546 2.66655e-07 -3.52139 63.546000 Cu 0.844815 0.252168 0.5 648 63.546 1.20161e-06 -3.52139 63.546000 Cu 0.965534 0.239213 0.5 652 63.546 1.10461e-06 -3.5214 63.546000 Cu 0.870672 0.267265 1.29966e-16 680 63.546 5.57926e-07 -3.52136 63.546000 Cu 0.931032 0.260787 0.5 682 63.546 8.14855e-07 -3.52133 63.546000 Cu 0.991388 0.254312 1 684 63.546 6.07138e-07 -3.52131 63.546000 Cu 0.0172367 0.269411 0.5 687 63.546 1.4199e-06 -3.52132 63.546000 Cu 0.00860555 0.306092 1 716 63.546 2.89644e-06 -3.52137 63.546000 Cu 0.043096 0.284514 1.70868e-16 719 63.546 7.89773e-07 -3.52142 63.546000 Cu 0.129302 0.293149 0 720 63.546 8.18219e-07 -3.52143 63.546000 Cu 0.103447 0.278041 0.5 721 63.546 7.3131e-07 -3.52145 63.546000 Cu 0.068954 0.299621 0.5 722 63.546 1.18524e-06 -3.52142 63.546000 Cu 0.163796 0.27157 0 723 63.546 3.55048e-07 -3.52146 63.546000 Cu 0.250004 0.280203 1 724 63.546 5.64438e-07 -3.52139 63.546000 Cu 0.189651 0.286676 0.5 726 63.546 8.14907e-07 -3.52141 63.546000 Cu 0.31036 0.273731 0.5 730 63.546 4.82137e-07 -3.52136 63.546000 Cu 0.215499 0.301779 1.21011e-19 758 63.546 4.08935e-07 -3.52136 63.546000 Cu 0.275854 0.295305 0.5 760 63.546 1.20431e-06 -3.52139 63.546000 Cu 0.33621 0.288833 3.60977e-16 762 63.546 4.32246e-06 -3.5214 63.546000 Cu 0.422397 0.297476 1 763 63.546 5.0255e-07 -3.52144 63.546000 Cu 0.396557 0.282364 0.5 764 63.546 3.69917e-06 -3.52137 63.546000 Cu 0.362053 0.303944 0.5 765 63.546 1.86815e-06 -3.52142 63.546000 Cu 0.456899 0.275894 1 766 63.546 2.36164e-06 -3.52136 63.546000 Cu 0.482738 0.291007 0.5 769 63.546 2.10803e-07 -3.52143 63.546000 Cu 0.543077 0.284536 0 767 63.546 5.22192e-07 -3.52144 63.546000 Cu 0.517238 0.269424 0.5 768 63.546 1.73192e-06 -3.52134 63.546000 Cu 0.663761 0.271591 1 771 63.546 1.47975e-06 -3.52143 63.546000 Cu 0.603419 0.278063 0.5 773 63.546 1.45316e-06 -3.52144 63.546000 Cu 0.508577 0.306121 6.98235e-16 800 63.546 1.60144e-06 -3.52136 63.546000 Cu 0.568913 0.299651 0.5 802 63.546 7.57703e-07 -3.52142 63.546000 Cu 0.629252 0.293178 0 804 63.546 1.06452e-06 -3.52145 63.546000 Cu 0.715427 0.301814 1 675 63.546 9.95832e-06 -3.52142 63.546000 Cu 0.749947 0.280226 0 676 63.546 5.14475e-06 -3.52145 63.546000 Cu 0.810308 0.273745 0.5 678 63.546 2.72905e-06 -3.5214 63.546000 Cu 0.775786 0.29533 0.5 679 63.546 5.0147e-06 -3.52146 63.546000 Cu 0.689595 0.286704 0.5 805 63.546 3.22055e-06 -3.52146 63.546000 Cu 0.836158 0.288843 1.76555e-16 677 63.546 1.25545e-06 -3.52144 63.546000 Cu 0.956884 0.275884 1 681 63.546 2.94898e-06 -3.52134 63.546000 Cu 0.896524 0.282361 0.5 683 63.546 3.01223e-06 -3.52138 63.546000 Cu 0.862013 0.303943 0.5 713 63.546 3.41323e-06 -3.52142 63.546000 Cu 0.922381 0.297461 1.54531e-16 715 63.546 3.37311e-06 -3.52139 63.546000 Cu 0.982743 0.290986 0.5 717 63.546 1.70907e-06 -3.52139 63.546000 Cu 0.0603229 0.336316 0 751 63.546 5.25606e-05 -3.52152 63.546000 Cu 0.0344499 0.321204 0.5 752 63.546 9.30737e-06 -3.52147 63.546000 Cu 1.16293e-05 0.342794 0.5 753 63.546 5.38681e-05 -3.52151 63.546000 Cu 0.0947941 0.314728 0 754 63.546 5.52898e-06 -3.52145 63.546000 Cu 0.155144 0.308253 0.5 756 63.546 2.54904e-06 -3.52136 63.546000 Cu 0.120659 0.329832 0.5 757 63.546 2.93762e-05 -3.52141 63.546000 Cu 0.14661 0.344925 0 788 63.546 3.12682e-05 -3.52137 63.546000 Cu 0.181009 0.323352 1 755 63.546 1.36136e-05 -3.5213 63.546000 Cu 0.301705 0.31041 1 759 63.546 3.68151e-06 -3.52138 63.546000 Cu 0.241354 0.31688 0.5 761 63.546 8.01127e-06 -3.52129 63.546000 Cu 0.206935 0.338448 0.5 790 63.546 3.00411e-05 -3.5213 63.546000 Cu 0.26724 0.331979 2.11286e-16 792 63.546 3.54722e-05 -3.52124 63.546000 Cu 0.32756 0.325515 0.5 794 63.546 2.68362e-05 -3.52122 63.546000 Cu 0.353489 0.340619 8.65836e-16 793 63.546 5.19688e-05 -3.52129 63.546000 Cu 0.387897 0.319052 0 796 63.546 9.4437e-06 -3.52122 63.546000 Cu 0.474076 0.327703 1 797 63.546 2.13706e-05 -3.5214 63.546000 Cu 0.448238 0.312588 0.5 798 63.546 2.44095e-06 -3.52129 63.546000 Cu 0.413764 0.334163 0.5 799 63.546 5.42729e-05 -3.52129 63.546000 Cu 0.499934 0.342834 0.5 833 63.546 7.41242e-05 -3.52155 63.546000 Cu 0.594735 0.314766 1.93376e-16 801 63.546 3.9573e-06 -3.52145 63.546000 Cu 0.534396 0.321238 0.5 803 63.546 7.50335e-06 -3.52145 63.546000 Cu 0.655075 0.308292 0.5 806 63.546 8.33812e-06 -3.5214 63.546000 Cu 0.560228 0.336358 1 835 63.546 6.75867e-05 -3.52153 63.546000 Cu 0.646465 0.344971 1.21011e-19 836 63.546 8.4213e-05 -3.5214 63.546000 Cu 0.620567 0.329877 0.5 837 63.546 3.53788e-05 -3.52141 63.546000 Cu 0.767163 0.332003 5.58346e-16 708 63.546 3.17692e-05 -3.52129 63.546000 Cu 0.741273 0.316915 0.5 709 63.546 1.88536e-05 -3.52131 63.546000 Cu 0.706819 0.338485 0.5 710 63.546 3.7746e-05 -3.52132 63.546000 Cu 0.801639 0.310429 9.6809e-17 711 63.546 7.99468e-06 -3.5214 63.546000 Cu 0.827523 0.325518 0.5 714 63.546 2.15017e-05 -3.52131 63.546000 Cu 0.680918 0.323396 1 839 63.546 2.31079e-05 -3.5213 63.546000 Cu 0.88789 0.319037 3.04948e-16 712 63.546 1.77344e-05 -3.52128 63.546000 Cu 0.948253 0.312563 0.5 718 63.546 9.61947e-06 -3.52131 63.546000 Cu 0.853481 0.340604 0 746 63.546 5.15831e-05 -3.52129 63.546000 Cu 0.913801 0.334136 0.5 748 63.546 4.42153e-05 -3.52128 63.546000 Cu 0.974126 0.327672 2.47347e-16 750 63.546 1.34346e-05 -3.52139 63.546000 Cu 0.0259677 0.357907 6.89159e-16 784 63.546 0.000100722 -3.52158 63.546000 Cu 0.112337 0.366501 7.62371e-17 785 63.546 1.9384e-05 -3.52132 63.546000 Cu 0.0862878 0.351412 0.5 786 63.546 2.9332e-05 -3.5215 63.546000 Cu 0.0520164 0.372998 0.5 787 63.546 4.52691e-05 -3.5215 63.546000 Cu 0.138436 0.381584 0.5 821 63.546 6.68868e-05 -3.52117 63.546000 Cu 0.232943 0.353547 1 789 63.546 1.45429e-05 -3.52134 63.546000 Cu 0.172653 0.360016 0.5 791 63.546 2.42352e-05 -3.52141 63.546000 Cu 0.29321 0.347081 0.5 795 63.546 3.21322e-05 -3.52134 63.546000 Cu 0.198722 0.375117 8.11018e-16 823 63.546 1.31068e-05 -3.52142 63.546000 Cu 0.285061 0.383758 3.71021e-16 824 63.546 0.000122051 -3.5211 63.546000 Cu 0.259 0.368646 0.5 825 63.546 3.4788e-05 -3.52127 63.546000 Cu 0.319247 0.362191 1 827 63.546 4.72025e-05 -3.52118 63.546000 Cu 0.40544 0.370884 2.47468e-16 828 63.546 3.10889e-05 -3.52135 63.546000 Cu 0.379487 0.355742 0.5 829 63.546 3.37687e-05 -3.52132 63.546000 Cu 0.345266 0.377316 0.5 830 63.546 9.56633e-05 -3.52106 63.546000 Cu 0.439698 0.349294 1 831 63.546 1.9433e-05 -3.52143 63.546000 Cu 0.465662 0.36443 0.5 834 63.546 7.19607e-05 -3.5215 63.546000 Cu 0.491635 0.379557 1 866 63.546 0.000248874 -3.52181 63.546000 Cu 0.52588 0.357957 0 832 63.546 0.000122509 -3.52151 63.546000 Cu 0.586155 0.351464 0.5 838 63.546 9.09072e-05 -3.52149 63.546000 Cu 0.551927 0.373054 0.5 868 63.546 7.69678e-05 -3.5215 63.546000 Cu 0.612217 0.366552 1 870 63.546 2.65849e-05 -3.52133 63.546000 Cu 0.638344 0.381626 0.5 872 63.546 1.09703e-05 -3.52119 63.546000 Cu 0.698638 0.375136 1 741 63.546 3.77604e-06 -3.52141 63.546000 Cu 0.732824 0.353569 0 742 63.546 3.26674e-05 -3.52135 63.546000 Cu 0.819194 0.362166 9.58409e-17 743 63.546 0.000103261 -3.52112 63.546000 Cu 0.793141 0.347084 0.5 744 63.546 3.52148e-05 -3.5213 63.546000 Cu 0.758923 0.368644 0.5 745 63.546 3.48945e-05 -3.52124 63.546000 Cu 0.785051 0.38373 2.36335e-16 776 63.546 0.000174233 -3.52111 63.546000 Cu 0.67251 0.360055 0.5 871 63.546 3.22327e-05 -3.52144 63.546000 Cu 0.939741 0.349253 7.58741e-17 747 63.546 1.34525e-05 -3.52136 63.546000 Cu 0.879475 0.355704 0.5 749 63.546 8.46074e-05 -3.52124 63.546000 Cu 0.84527 0.377271 0.5 778 63.546 0.000192775 -3.52109 63.546000 Cu 0.905453 0.370832 1 780 63.546 4.88912e-05 -3.52137 63.546000 Cu 0.991691 0.379503 1 781 63.546 0.000279376 -3.52178 63.546000 Cu 0.965697 0.364381 0.5 782 63.546 7.7206e-05 -3.52157 63.546000 Cu 0.0441347 0.409632 6.26596e-16 816 63.546 0.000429266 -3.52064 63.546000 Cu 0.0178394 0.394591 0.5 817 63.546 0.000136663 -3.52134 63.546000 Cu 0.0781447 0.388071 1.82122e-16 819 63.546 0.000106326 -3.52109 63.546000 Cu 0.164556 0.396691 4.40965e-16 820 63.546 5.75544e-05 -3.52164 63.546000 Cu 0.104377 0.403156 0.5 822 63.546 0.000205932 -3.5209 63.546000 Cu 0.130573 0.418286 0 854 63.546 0.000159038 -3.52175 63.546000 Cu 0.224823 0.390217 0.5 826 63.546 4.5874e-05 -3.52166 63.546000 Cu 0.190699 0.411818 0.5 856 63.546 0.000141578 -3.52199 63.546000 Cu 0.250948 0.405323 4.94573e-16 858 63.546 0.000332141 -3.52121 63.546000 Cu 0.311156 0.398891 0.5 860 63.546 0.00031323 -3.52068 63.546000 Cu 0.277134 0.420445 0.5 861 63.546 0.00196792 -3.51956 63.546000 Cu 0.337177 0.414086 8.5555e-16 859 63.546 0.000300713 -3.52082 63.546000 Cu 0.371276 0.392483 3.46697e-16 862 63.546 6.55797e-05 -3.52141 63.546000 Cu 0.457471 0.401175 2.9079e-16 863 63.546 0.000673759 -3.52208 63.546000 Cu 0.431425 0.386037 0.5 864 63.546 0.000212349 -3.5219 63.546000 Cu 0.397238 0.407669 0.5 865 63.546 0.000838137 -3.52213 63.546000 Cu 0.423178 0.422817 4.94573e-16 894 63.546 0.00259169 -3.52291 63.546000 Cu 0.483524 0.41623 0.5 896 63.546 0.000393592 -3.52122 63.546000 Cu 0.578059 0.388126 2.42023e-19 867 63.546 2.52416e-05 -3.52114 63.546000 Cu 0.517742 0.394649 0.5 869 63.546 0.000183604 -3.52145 63.546000 Cu 0.543943 0.409682 2.14916e-16 898 63.546 0.000282349 -3.52054 63.546000 Cu 0.630356 0.418296 1 899 63.546 0.000141773 -3.52185 63.546000 Cu 0.604249 0.403195 0.5 900 63.546 0.00010425 -3.52087 63.546000 Cu 0.664478 0.396707 1 902 63.546 1.92436e-05 -3.52169 63.546000 Cu 0.750947 0.405288 1 774 63.546 0.000420168 -3.52118 63.546000 Cu 0.724781 0.39021 0.5 775 63.546 4.50214e-05 -3.52165 63.546000 Cu 0.811188 0.398841 0.5 779 63.546 0.00044249 -3.52072 63.546000 Cu 0.777101 0.420381 0.5 809 63.546 0.0022004 -3.51953 63.546000 Cu 0.690606 0.411799 0.5 903 63.546 0.000126939 -3.52211 63.546000 Cu 0.871329 0.392428 5.17928e-17 777 63.546 4.25095e-05 -3.52137 63.546000 Cu 0.931476 0.385984 0.5 783 63.546 0.000219645 -3.52181 63.546000 Cu 0.837242 0.41402 1.23795e-16 811 63.546 0.000294694 -3.521 63.546000 Cu 0.923309 0.422752 1.21011e-19 812 63.546 0.00255232 -3.52296 63.546000 Cu 0.897332 0.407608 0.5 813 63.546 0.000803791 -3.52221 63.546000 Cu 0.957571 0.401116 0 815 63.546 0.000632632 -3.52207 63.546000 Cu 0.983741 0.416168 0.5 818 63.546 0.000285078 -3.52147 63.546000 Cu 0.0100485 0.431157 6.81294e-17 850 63.546 0.00259393 -3.51949 63.546000 Cu 0.0963849 0.439895 3.709e-16 851 63.546 0.00141596 -3.52324 63.546000 Cu 0.0703863 0.424719 0.5 852 63.546 0.000900891 -3.52079 63.546000 Cu 0.036102 0.446237 0.5 853 63.546 0.00351641 -3.51841 63.546000 Cu 0.156617 0.433444 0.5 857 63.546 0.00209368 -3.52373 63.546000 Cu 0.0616867 0.461458 2.47347e-16 882 63.546 0.0173132 -3.51223 63.546000 Cu 0.121895 0.455151 0.5 884 63.546 0.027971 -3.52607 63.546000 Cu 0.216898 0.426893 1 855 63.546 0.000944445 -3.52086 63.546000 Cu 0.182654 0.448448 3.709e-16 886 63.546 0.00852537 -3.52077 63.546000 Cu 0.269292 0.45732 3.79854e-16 887 63.546 0.0109171 -3.51233 63.546000 Cu 0.243336 0.441924 0.5 888 63.546 0.0149412 -3.5155 63.546000 Cu 0.303245 0.435711 0 890 63.546 0.00182584 -3.51927 63.546000 Cu 0.328902 0.451127 0.5 893 63.546 0.0133947 -3.52286 63.546000 Cu 0.388865 0.444566 1 891 63.546 0.014276 -3.52404 63.546000 Cu 0.363035 0.429347 0.5 892 63.546 0.00337685 -3.52262 63.546000 Cu 0.449317 0.437813 0.5 897 63.546 0.00189668 -3.5206 63.546000 Cu 0.414985 0.459441 0.5 913 63.546 0.0151936 -3.51677 63.546000 Cu 0.475944 0.452622 0 915 63.546 0.0211858 -3.51396 63.546000 Cu 0.621874 0.45513 0.5 463 63.546 0.0270312 -3.52609 63.546000 Cu 0.656405 0.433413 0.5 465 63.546 0.00189672 -3.52364 63.546000 Cu 0.509822 0.431206 1 895 63.546 0.00220506 -3.51938 63.546000 Cu 0.570149 0.424748 0.5 901 63.546 0.000636051 -3.52081 63.546000 Cu 0.561782 0.461496 1 916 63.546 0.0163515 -3.51213 63.546000 Cu 0.536059 0.446276 0.5 917 63.546 0.00345463 -3.51829 63.546000 Cu 0.596224 0.439909 7.42041e-16 919 63.546 0.0014984 -3.52315 63.546000 Cu 0.716774 0.426832 0 807 63.546 0.00126191 -3.52068 63.546000 Cu 0.803108 0.435619 0 808 63.546 0.00178853 -3.51937 63.546000 Cu 0.743168 0.441834 0.5 810 63.546 0.0161115 -3.5154 63.546000 Cu 0.769155 0.457223 1 842 63.546 0.0102407 -3.51228 63.546000 Cu 0.828712 0.451025 0.5 844 63.546 0.0130075 -3.52284 63.546000 Cu 0.682514 0.448376 2.10197e-16 920 63.546 0.00785199 -3.52068 63.546000 Cu 0.863072 0.429267 0.5 814 63.546 0.0031292 -3.52273 63.546000 Cu 0.888752 0.444471 7.27278e-17 846 63.546 0.0137608 -3.52402 63.546000 Cu 0.975856 0.452554 3.87599e-16 847 63.546 0.0216021 -3.51401 63.546000 Cu 0.949364 0.437735 0.5 848 63.546 0.00172845 -3.5206 63.546000 Cu 0.914806 0.45934 0.5 849 63.546 0.015634 -3.51665 63.546000 Cu 0.0282731 0.482835 0 879 63.546 2.48149 -3.36362 63.546000 Cu 0.00193274 0.467797 0.5 880 63.546 0.0361077 -3.50125 63.546000 Cu 0.1466 0.469908 2.88854e-16 883 63.546 0.11623 -3.48423 63.546000 Cu 0.0869583 0.47739 0.5 885 63.546 1.11205 -3.45562 63.546000 Cu 0.110836 0.492967 1.21011e-19 905 63.546 7.79946 -3.44194 63.546000 Cu 0.209573 0.463113 0.5 889 63.546 0.13528 -3.49943 63.546000 Cu 0.174292 0.483465 0.5 906 63.546 3.82267 -3.2891 63.546000 Cu 0.234459 0.478907 6.18247e-16 907 63.546 0.892158 -3.45419 63.546000 Cu 0.319112 0.48997 1 908 63.546 5.49218 -3.4601 63.546000 Cu 0.294432 0.472973 0.5 909 63.546 0.111136 -3.4984 63.546000 Cu 0.256309 0.493769 0.5 910 63.546 11.2599 -3.32645 63.546000 Cu 0.470142 0.490168 0.5 452 63.546 3.13967 -3.43749 63.546000 Cu 0.409219 0.493914 1.23674e-16 456 63.546 8.599 -3.24127 63.546000 Cu 0.354193 0.466566 1 911 63.546 0.118146 -3.51797 63.546000 Cu 0.443098 0.473857 0 912 63.546 0.212637 -3.47795 63.546000 Cu 0.379517 0.481024 0.5 914 63.546 0.440054 -3.46081 63.546000 Cu 0.502153 0.467851 0.5 918 63.546 0.0321991 -3.50129 63.546000 Cu 0.646805 0.469868 1 20 63.546 0.11103 -3.48486 63.546000 Cu 0.587179 0.477389 0.5 42 63.546 1.09144 -3.45587 63.546000 Cu 0.611193 0.492922 1.7946e-16 435 63.546 7.74958 -3.4401 63.546000 Cu 0.528543 0.482888 0 448 63.546 2.41534 -3.36466 63.546000 Cu 0.674565 0.483419 0.5 8 63.546 3.77506 -3.29035 63.546000 Cu 0.734619 0.478845 2.05719e-16 840 63.546 0.874692 -3.45433 63.546000 Cu 0.709554 0.463044 0.5 841 63.546 0.134611 -3.49951 63.546000 Cu 0.794449 0.472874 0.5 845 63.546 0.109262 -3.49797 63.546000 Cu 0.756578 0.493708 0.5 874 63.546 11.2288 -3.32545 63.546000 Cu 0.819243 0.489899 1 875 63.546 5.52348 -3.45977 63.546000 Cu 0.854047 0.466474 9.01534e-17 843 63.546 0.120011 -3.51788 63.546000 Cu 0.909246 0.493862 0 876 63.546 8.62543 -3.2409 63.546000 Cu 0.879519 0.480937 0.5 877 63.546 0.437766 -3.46234 63.546000 Cu 0.942956 0.473769 0 878 63.546 0.221495 -3.47745 63.546000 Cu 0.970129 0.490176 0.5 881 63.546 3.1567 -3.43684 63.546000 Cu 0.0661109 0.507316 0.5 904 63.546 5.82358 -3.46384 63.546000 Cu 0.156649 0.50394 0.5 2 63.546 9.13263 -3.21562 63.546000 Cu 0.0028149 0.503937 1.27304e-16 6 63.546 11.9202 -3.33306 63.546000 Cu 0.0413247 0.524664 3.10394e-16 7 63.546 0.155227 -3.49365 63.546000 Cu 0.126449 0.516741 1 10 63.546 0.638047 -3.45541 63.546000 Cu 0.100927 0.531134 0.5 13 63.546 0.14644 -3.51376 63.546000 Cu 0.161673 0.538359 1 11 63.546 0.0186385 -3.51443 63.546000 Cu 0.217885 0.507 7.61645e-16 1 63.546 6.66807 -3.44402 63.546000 Cu 0.275459 0.515073 0.5 3 63.546 7.1128 -3.34696 63.546000 Cu 0.190021 0.523939 0.5 12 63.546 0.287428 -3.46657 63.546000 Cu 0.248686 0.529885 0 14 63.546 0.0581065 -3.4978 63.546000 Cu 0.308501 0.536371 0.5 75 63.546 0.0237791 -3.51016 63.546000 Cu 0.333809 0.520419 3.71142e-16 43 63.546 1.40016 -3.44735 63.546000 Cu 0.359283 0.504697 0.5 44 63.546 8.11057 -3.45563 63.546000 Cu 0.420635 0.514643 0 45 63.546 9.00223 -3.26796 63.546000 Cu 0.456739 0.534745 1 46 63.546 0.175524 -3.4951 63.546000 Cu 0.481157 0.518796 0.5 47 63.546 1.20202 -3.45392 63.546000 Cu 0.393431 0.528062 0.5 48 63.546 0.158084 -3.47667 63.546000 Cu 0.566034 0.507294 0.5 21 63.546 5.8234 -3.46468 63.546000 Cu 0.502549 0.503949 1 17 63.546 12.0312 -3.33234 63.546000 Cu 0.626419 0.516684 5.55442e-17 18 63.546 0.652873 -3.45474 63.546000 Cu 0.656635 0.503893 0.5 19 63.546 7.54546 -3.21496 63.546000 Cu 0.541282 0.524636 0 49 63.546 0.157021 -3.49393 63.546000 Cu 0.600946 0.531073 0.5 51 63.546 0.147712 -3.51383 63.546000 Cu 0.661702 0.538278 4.94694e-16 53 63.546 0.0185444 -3.51456 63.546000 Cu 0.74873 0.529811 0 22 63.546 0.058007 -3.49756 63.546000 Cu 0.775522 0.514996 0.5 23 63.546 7.10086 -3.34638 63.546000 Cu 0.690111 0.523872 0.5 24 63.546 0.29641 -3.46564 63.546000 Cu 0.808443 0.53631 0.5 28 63.546 0.02459 -3.51018 63.546000 Cu 0.717967 0.506906 5.57136e-16 873 63.546 6.66403 -3.44506 63.546000 Cu 0.920856 0.514581 1.28998e-16 4 63.546 9.02918 -3.26925 63.546000 Cu 0.859387 0.504626 0.5 5 63.546 8.09497 -3.45566 63.546000 Cu 0.981351 0.518814 0.5 9 63.546 1.1823 -3.45389 63.546000 Cu 0.833929 0.520335 1.23674e-16 25 63.546 1.38985 -3.44788 63.546000 Cu 0.893448 0.527991 0.5 27 63.546 0.154076 -3.47759 63.546000 Cu 0.956689 0.53473 3.60009e-16 29 63.546 0.171981 -3.49568 63.546000 Cu 0.0162214 0.540421 0.5 31 63.546 0.0125506 -3.51051 63.546000 Cu 0.0756685 0.546595 2.99019e-16 33 63.546 0.0190909 -3.52266 63.546000 Cu 0.110306 0.568391 3.64486e-16 34 63.546 0.00504079 -3.52272 63.546000 Cu 0.135764 0.553196 0.5 35 63.546 0.0161419 -3.52349 63.546000 Cu 0.0503453 0.562046 0.5 36 63.546 0.002365 -3.51883 63.546000 Cu 0.283008 0.551514 2.47347e-16 15 63.546 0.00229324 -3.51884 63.546000 Cu 0.222755 0.545182 0.5 16 63.546 0.0242381 -3.51389 63.546000 Cu 0.196454 0.55999 1 37 63.546 0.00217413 -3.52019 63.546000 Cu 0.257316 0.56659 0.5 39 63.546 0.00293682 -3.51973 63.546000 Cu 0.170718 0.574943 0.5 40 63.546 0.00268224 -3.52291 63.546000 Cu 0.31779 0.573021 1 108 63.546 0.000420315 -3.52083 63.546000 Cu 0.368897 0.542706 1.23916e-16 76 63.546 0.0279912 -3.52624 63.546000 Cu 0.403889 0.564357 0 77 63.546 0.00172657 -3.5236 63.546000 Cu 0.429848 0.549407 0.5 78 63.546 0.011149 -3.52047 63.546000 Cu 0.343525 0.557892 0.5 79 63.546 0.0012071 -3.52364 63.546000 Cu 0.490561 0.555881 1 80 63.546 0.0213284 -3.5141 63.546000 Cu 0.464322 0.570909 0.5 83 63.546 0.00217932 -3.52033 63.546000 Cu 0.575726 0.546547 1 50 63.546 0.0191039 -3.52255 63.546000 Cu 0.516299 0.540385 0.5 52 63.546 0.013283 -3.51042 63.546000 Cu 0.635702 0.55314 0.5 56 63.546 0.0165006 -3.52358 63.546000 Cu 0.550338 0.562011 0.5 82 63.546 0.00226268 -3.51864 63.546000 Cu 0.610226 0.568345 0 84 63.546 0.0055466 -3.52259 63.546000 Cu 0.69631 0.559926 0 54 63.546 0.0023907 -3.52009 63.546000 Cu 0.722671 0.545117 0.5 55 63.546 0.0245508 -3.51366 63.546000 Cu 0.782853 0.551451 1.52111e-16 57 63.546 0.00241212 -3.51874 63.546000 Cu 0.817639 0.57297 0 58 63.546 0.000412155 -3.52088 63.546000 Cu 0.757144 0.566531 0.5 60 63.546 0.00279651 -3.51958 63.546000 Cu 0.670599 0.574885 0.5 86 63.546 0.00316964 -3.5228 63.546000 Cu 0.868763 0.542649 3.02528e-17 26 63.546 0.0289881 -3.52637 63.546000 Cu 0.990422 0.555891 6.26596e-16 30 63.546 0.0210685 -3.51416 63.546000 Cu 0.929663 0.549381 0.5 32 63.546 0.010238 -3.52042 63.546000 Cu 0.843354 0.557841 0.5 59 63.546 0.00119434 -3.52353 63.546000 Cu 0.903743 0.564324 0 61 63.546 0.0017844 -3.52347 63.546000 Cu 0.964246 0.570882 0.5 63 63.546 0.00164377 -3.52035 63.546000 Cu 0.0246328 0.577311 1.95554e-16 65 63.546 0.00251047 -3.51894 63.546000 Cu 0.0592786 0.598823 1.23795e-16 66 63.546 0.00028803 -3.52065 63.546000 Cu 0.0848213 0.583634 0.5 67 63.546 0.00048948 -3.5209 63.546000 Cu 0.145168 0.590045 1.23795e-16 69 63.546 0.00150413 -3.52224 63.546000 Cu 0.119635 0.605206 0.5 72 63.546 0.000241614 -3.52132 63.546000 Cu 0.0336744 0.613951 0.5 98 63.546 0.000191653 -3.52096 63.546000 Cu 0.231397 0.581556 6.18368e-16 38 63.546 0.000284832 -3.52131 63.546000 Cu 0.292001 0.588094 0.5 41 63.546 0.000503561 -3.52061 63.546000 Cu 0.180035 0.611654 0 70 63.546 0.000583568 -3.52165 63.546000 Cu 0.205641 0.596566 0.5 71 63.546 0.000659598 -3.52188 63.546000 Cu 0.266211 0.603125 5.19743e-16 73 63.546 5.88548e-05 -3.52123 63.546000 Cu 0.326756 0.609647 0.5 142 63.546 0.000144255 -3.52102 63.546000 Cu 0.352437 0.594576 0 109 63.546 0.000123374 -3.52097 63.546000 Cu 0.378137 0.579472 0.5 110 63.546 9.37389e-05 -3.52185 63.546000 Cu 0.43848 0.585959 1 111 63.546 0.000213806 -3.52173 63.546000 Cu 0.473309 0.607521 1 112 63.546 9.87125e-05 -3.52129 63.546000 Cu 0.49891 0.592432 0.5 113 63.546 0.000771574 -3.52076 63.546000 Cu 0.412864 0.601048 0.5 114 63.546 1.90971e-05 -3.52141 63.546000 Cu 0.524653 0.57731 0 81 63.546 0.00285835 -3.51894 63.546000 Cu 0.645106 0.590007 1.21011e-19 85 63.546 0.0016326 -3.52227 63.546000 Cu 0.584805 0.583609 0.5 87 63.546 0.000544953 -3.521 63.546000 Cu 0.559331 0.598827 6.02636e-17 115 63.546 0.000465612 -3.52067 63.546000 Cu 0.619633 0.605195 0.5 117 63.546 0.00021263 -3.52137 63.546000 Cu 0.533744 0.613966 0.5 118 63.546 0.000271504 -3.52091 63.546000 Cu 0.731264 0.581491 2.47347e-16 88 63.546 0.000276276 -3.52115 63.546000 Cu 0.7661 0.603067 1 89 63.546 6.81465e-05 -3.52112 63.546000 Cu 0.791846 0.588037 0.5 90 63.546 0.000347885 -3.52057 63.546000 Cu 0.705535 0.596514 0.5 91 63.546 0.000953779 -3.52192 63.546000 Cu 0.826634 0.609592 0.5 95 63.546 4.89455e-05 -3.52083 63.546000 Cu 0.680006 0.611628 2.68645e-16 119 63.546 0.000586375 -3.52173 63.546000 Cu 0.938372 0.585936 3.37985e-16 62 63.546 0.000235931 -3.52198 63.546000 Cu 0.878016 0.579433 0.5 64 63.546 8.06501e-05 -3.52203 63.546000 Cu 0.998831 0.592414 0.5 68 63.546 0.000606108 -3.52091 63.546000 Cu 0.852316 0.594534 1.23674e-16 92 63.546 0.000135423 -3.52091 63.546000 Cu 0.912739 0.601017 0.5 94 63.546 3.89186e-05 -3.52134 63.546000 Cu 0.973221 0.607503 1.59856e-16 96 63.546 0.000127171 -3.52138 63.546000 Cu 0.00808665 0.629057 1 97 63.546 0.000123143 -3.52124 63.546000 Cu 0.0940893 0.620364 3.71384e-16 100 63.546 2.79295e-05 -3.52095 63.546000 Cu 0.128913 0.641923 1.21011e-19 101 63.546 5.51126e-05 -3.52124 63.546000 Cu 0.154483 0.626781 0.5 102 63.546 0.000190948 -3.5213 63.546000 Cu 0.068519 0.635496 0.5 103 63.546 7.79088e-05 -3.52108 63.546000 Cu 0.0428709 0.65062 1.21011e-19 131 63.546 0.000139402 -3.5213 63.546000 Cu 0.24052 0.618165 0.5 74 63.546 0.000216363 -3.52143 63.546000 Cu 0.214918 0.633245 1 104 63.546 0.000312275 -3.5215 63.546000 Cu 0.275381 0.639751 0.5 106 63.546 0.000148635 -3.52133 63.546000 Cu 0.18929 0.648369 0.5 107 63.546 0.000138142 -3.52152 63.546000 Cu 0.301069 0.624696 1 141 63.546 1.7832e-05 -3.52112 63.546000 Cu 0.387238 0.616134 1 143 63.546 4.7395e-05 -3.52126 63.546000 Cu 0.422036 0.637699 0 144 63.546 6.69811e-05 -3.52126 63.546000 Cu 0.447704 0.622609 0.5 145 63.546 4.02912e-05 -3.52139 63.546000 Cu 0.361576 0.63121 0.5 146 63.546 8.42586e-05 -3.52105 63.546000 Cu 0.482475 0.644177 0.5 150 63.546 8.35247e-05 -3.52141 63.546000 Cu 0.33585 0.646267 1 175 63.546 4.29716e-05 -3.5211 63.546000 Cu 0.396298 0.652775 0.5 177 63.546 4.31321e-05 -3.52115 63.546000 Cu 0.59414 0.620376 1 116 63.546 0.000104432 -3.52093 63.546000 Cu 0.654498 0.626782 0.5 122 63.546 0.000107819 -3.52127 63.546000 Cu 0.508145 0.629074 0 147 63.546 0.000104356 -3.52127 63.546000 Cu 0.542893 0.650643 1 148 63.546 0.000122049 -3.52139 63.546000 Cu 0.568565 0.635513 0.5 149 63.546 0.000116655 -3.5211 63.546000 Cu 0.628935 0.641938 1.23674e-16 151 63.546 4.9944e-05 -3.52123 63.546000 Cu 0.714887 0.633229 2.47347e-16 120 63.546 0.000284322 -3.52149 63.546000 Cu 0.740452 0.61812 0.5 121 63.546 0.00037187 -3.52146 63.546000 Cu 0.800972 0.624644 3.709e-16 123 63.546 4.16479e-05 -3.52119 63.546000 Cu 0.775321 0.639719 0.5 126 63.546 0.000198529 -3.52135 63.546000 Cu 0.689299 0.648374 0.5 153 63.546 0.000106253 -3.52147 63.546000 Cu 0.887139 0.616097 4.94694e-16 93 63.546 4.74584e-05 -3.5212 63.546000 Cu 0.947623 0.622586 0.5 99 63.546 6.4474e-05 -3.52138 63.546000 Cu 0.835776 0.646229 3.71142e-16 124 63.546 6.81978e-05 -3.5212 63.546000 Cu 0.861479 0.631164 0.5 125 63.546 2.01409e-05 -3.52114 63.546000 Cu 0.92197 0.637669 0 127 63.546 6.3199e-05 -3.52132 63.546000 Cu 0.98244 0.644158 0.5 129 63.546 0.00013279 -3.52137 63.546000 Cu 0.896243 0.652744 0.5 130 63.546 3.34863e-05 -3.52122 63.546000 Cu 0.0774779 0.672198 1.21011e-19 132 63.546 6.42725e-05 -3.52131 63.546000 Cu 0.103249 0.657064 0.5 133 63.546 6.46638e-05 -3.52132 63.546000 Cu 0.0171027 0.665731 0.5 134 63.546 9.19288e-05 -3.52129 63.546000 Cu 0.16359 0.663511 1 135 63.546 4.00591e-05 -3.52143 63.546000 Cu 0.137818 0.678654 0.5 138 63.546 2.00352e-05 -3.52132 63.546000 Cu 0.0516403 0.687317 0.5 165 63.546 3.30281e-05 -3.52133 63.546000 Cu 0.249667 0.654847 1 105 63.546 0.000152436 -3.52157 63.546000 Cu 0.198134 0.685116 2.47589e-16 136 63.546 1.33858e-05 -3.52137 63.546000 Cu 0.223925 0.669976 0.5 137 63.546 5.38107e-05 -3.5215 63.546000 Cu 0.284262 0.67646 1 139 63.546 5.51063e-05 -3.52156 63.546000 Cu 0.258454 0.691594 0.5 140 63.546 1.77715e-05 -3.52147 63.546000 Cu 0.310064 0.661347 0.5 178 63.546 9.04749e-05 -3.52148 63.546000 Cu 0.370473 0.667853 1 176 63.546 4.03105e-05 -3.52142 63.546000 Cu 0.456737 0.659272 1 179 63.546 8.25217e-05 -3.52127 63.546000 Cu 0.491288 0.680859 0 180 63.546 2.36664e-05 -3.52138 63.546000 Cu 0.430886 0.67436 0.5 182 63.546 1.75813e-05 -3.5214 63.546000 Cu 0.344624 0.682959 0.5 209 63.546 3.76892e-05 -3.52158 63.546000 Cu 0.405008 0.689463 4.94694e-16 210 63.546 2.04268e-05 -3.52153 63.546000 Cu 0.663606 0.663533 0 152 63.546 2.50272e-05 -3.52145 63.546000 Cu 0.60327 0.65709 0.5 154 63.546 7.9241e-05 -3.52137 63.546000 Cu 0.517132 0.665755 0.5 181 63.546 8.00519e-05 -3.5213 63.546000 Cu 0.577506 0.672226 1 183 63.546 7.80957e-05 -3.5213 63.546000 Cu 0.637845 0.678683 0.5 185 63.546 3.26752e-05 -3.52127 63.546000 Cu 0.551673 0.687345 0.5 186 63.546 3.78091e-05 -3.52134 63.546000 Cu 0.749651 0.654835 1 155 63.546 0.000181608 -3.52155 63.546000 Cu 0.784262 0.676456 1 156 63.546 5.6514e-05 -3.52161 63.546000 Cu 0.810038 0.661324 0.5 157 63.546 0.000147701 -3.52153 63.546000 Cu 0.723933 0.669986 0.5 158 63.546 3.04357e-05 -3.52154 63.546000 Cu 0.698165 0.685139 2.72759e-16 187 63.546 7.03804e-06 -3.52132 63.546000 Cu 0.758483 0.691606 0.5 189 63.546 1.03476e-05 -3.52141 63.546000 Cu 0.956695 0.659246 0 128 63.546 7.51853e-05 -3.52125 63.546000 Cu 0.870439 0.667825 1.23795e-16 159 63.546 8.58181e-05 -3.52147 63.546000 Cu 0.904995 0.689444 5.7202e-16 160 63.546 2.8159e-05 -3.52159 63.546000 Cu 0.930853 0.674333 0.5 161 63.546 2.67431e-05 -3.52143 63.546000 Cu 0.844618 0.682945 0.5 162 63.546 5.13832e-05 -3.52164 63.546000 Cu 0.991256 0.680833 1 163 63.546 2.19935e-05 -3.52138 63.546000 Cu 0.0257654 0.702435 1 164 63.546 6.71554e-06 -3.52139 63.546000 Cu 0.11199 0.693788 1 167 63.546 1.82112e-05 -3.52129 63.546000 Cu 0.146481 0.715392 0 168 63.546 5.94926e-06 -3.52131 63.546000 Cu 0.0861328 0.708916 0.5 170 63.546 8.13827e-06 -3.52131 63.546000 Cu 0.0602755 0.724039 0 199 63.546 1.24544e-06 -3.5213 63.546000 Cu 0.120635 0.73052 0.5 201 63.546 1.36204e-06 -3.5213 63.546000 Cu 0.172318 0.700257 0.5 169 63.546 6.63054e-06 -3.52133 63.546000 Cu 0.232645 0.706734 3.18623e-16 171 63.546 6.00402e-06 -3.52141 63.546000 Cu 0.267177 0.728358 1 172 63.546 1.31237e-06 -3.52142 63.546000 Cu 0.29299 0.713222 0.5 173 63.546 3.78072e-06 -3.52147 63.546000 Cu 0.206826 0.721872 0.5 174 63.546 3.52003e-06 -3.52138 63.546000 Cu 0.318801 0.698086 1.0056e-16 208 63.546 1.29092e-05 -3.52153 63.546000 Cu 0.43955 0.711083 5.95376e-16 211 63.546 6.32677e-06 -3.52144 63.546000 Cu 0.465405 0.695966 0.5 212 63.546 6.39372e-06 -3.52146 63.546000 Cu 0.379171 0.704584 0.5 213 63.546 8.94081e-06 -3.5215 63.546000 Cu 0.499931 0.717577 0.5 217 63.546 2.91858e-06 -3.52137 63.546000 Cu 0.353352 0.719715 5.54111e-16 241 63.546 2.47185e-06 -3.52145 63.546000 Cu 0.413719 0.726208 0.5 243 63.546 2.93865e-06 -3.5214 63.546000 Cu 0.612033 0.693818 6.18368e-16 184 63.546 3.22281e-05 -3.52131 63.546000 Cu 0.525796 0.702461 1 214 63.546 7.49564e-06 -3.52141 63.546000 Cu 0.560311 0.724066 0 215 63.546 1.6394e-06 -3.52132 63.546000 Cu 0.586177 0.708946 0.5 216 63.546 1.65691e-05 -3.52137 63.546000 Cu 0.646538 0.715425 6.76695e-16 218 63.546 1.76322e-05 -3.52136 63.546000 Cu 0.620685 0.73055 0.5 221 63.546 4.30738e-06 -3.52131 63.546000 Cu 0.732701 0.706755 0 188 63.546 4.47841e-06 -3.52139 63.546000 Cu 0.672371 0.700286 0.5 190 63.546 1.54988e-05 -3.52133 63.546000 Cu 0.818822 0.698085 1 191 63.546 1.54867e-05 -3.52149 63.546000 Cu 0.793035 0.713231 0.5 194 63.546 3.5034e-06 -3.52144 63.546000 Cu 0.706889 0.721901 0.5 220 63.546 1.3129e-05 -3.52139 63.546000 Cu 0.767234 0.728377 0 222 63.546 5.7292e-06 -3.5214 63.546000 Cu 0.965384 0.695943 0.5 166 63.546 8.88967e-06 -3.5215 63.546000 Cu 0.853379 0.719713 1 192 63.546 4.89608e-06 -3.52143 63.546000 Cu 0.879176 0.704574 0.5 193 63.546 1.51961e-05 -3.52148 63.546000 Cu 0.939542 0.711066 0 195 63.546 9.20758e-06 -3.52144 63.546000 Cu 0.99991 0.717555 0.5 197 63.546 4.17048e-06 -3.52136 63.546000 Cu 0.913728 0.726198 0.5 198 63.546 4.9382e-06 -3.5214 63.546000 Cu 0.0947949 0.745646 2.54366e-16 200 63.546 8.72689e-07 -3.52131 63.546000 Cu 0.0344366 0.739163 0.5 202 63.546 1.93017e-06 -3.52132 63.546000 Cu 0.155156 0.752131 0.5 206 63.546 5.12995e-07 -3.52133 63.546000 Cu 0.00860876 0.754293 7.42041e-16 230 63.546 3.63634e-06 -3.52133 63.546000 Cu 0.0689607 0.760773 0.5 232 63.546 4.78913e-06 -3.5213 63.546000 Cu 0.129319 0.767255 1.23674e-16 234 63.546 3.87189e-06 -3.52128 63.546000 Cu 0.180993 0.737004 1.44003e-16 203 63.546 1.39415e-06 -3.52135 63.546000 Cu 0.215521 0.758619 0 204 63.546 9.69766e-07 -3.52135 63.546000 Cu 0.241353 0.743491 0.5 205 63.546 9.58259e-07 -3.52138 63.546000 Cu 0.275887 0.765109 0.5 207 63.546 1.88744e-06 -3.52138 63.546000 Cu 0.327534 0.734848 0.5 244 63.546 4.88897e-07 -3.5214 63.546000 Cu 0.301714 0.74998 1.40373e-17 274 63.546 4.56475e-07 -3.5214 63.546000 Cu 0.387894 0.741338 8.96694e-17 242 63.546 7.18959e-07 -3.52137 63.546000 Cu 0.474088 0.732698 0 245 63.546 2.68712e-06 -3.52135 63.546000 Cu 0.448254 0.747825 0.5 248 63.546 1.94474e-06 -3.52135 63.546000 Cu 0.362073 0.756469 0.5 276 63.546 5.92745e-07 -3.5214 63.546000 Cu 0.42243 0.762957 1 277 63.546 1.55279e-06 -3.52141 63.546000 Cu 0.508616 0.754308 2.69492e-16 246 63.546 3.78042e-06 -3.52133 63.546000 Cu 0.534458 0.739185 0.5 247 63.546 1.52226e-06 -3.52132 63.546000 Cu 0.594831 0.74567 2.24476e-16 249 63.546 1.18203e-07 -3.52131 63.546000 Cu 0.62935 0.767275 9.693e-17 250 63.546 1.7958e-06 -3.5213 63.546000 Cu 0.655202 0.752155 0.5 251 63.546 7.84288e-07 -3.52131 63.546000 Cu 0.568981 0.760791 0.5 252 63.546 4.1587e-06 -3.52132 63.546000 Cu 0.681051 0.737032 2.47589e-16 219 63.546 7.11258e-06 -3.52132 63.546000 Cu 0.801761 0.749992 1.19801e-16 223 63.546 3.25358e-06 -3.52136 63.546000 Cu 0.827576 0.734855 0.5 224 63.546 1.49254e-06 -3.5214 63.546000 Cu 0.74141 0.743512 0.5 225 63.546 6.17364e-06 -3.52134 63.546000 Cu 0.71557 0.758639 1 253 63.546 3.31961e-06 -3.52133 63.546000 Cu 0.775933 0.765124 0.5 255 63.546 5.32422e-06 -3.52137 63.546000 Cu 0.974081 0.732682 1.81517e-16 196 63.546 3.37614e-06 -3.52135 63.546000 Cu 0.887918 0.741335 0 226 63.546 4.78568e-07 -3.52138 63.546000 Cu 0.922449 0.762953 1.43035e-16 227 63.546 1.01482e-06 -3.5214 63.546000 Cu 0.948262 0.747814 0.5 228 63.546 1.721e-06 -3.52136 63.546000 Cu 0.862107 0.756472 0.5 229 63.546 1.20421e-06 -3.52139 63.546000 Cu 0.0431312 0.775907 0 231 63.546 8.68413e-06 -3.52137 63.546000 Cu 0.163834 0.788864 1 235 63.546 1.57653e-05 -3.52136 63.546000 Cu 0.103477 0.782384 0.5 237 63.546 1.45256e-05 -3.52134 63.546000 Cu 0.0173152 0.791053 0.5 263 63.546 2.5125e-06 -3.5214 63.546000 Cu 0.077643 0.797523 1.21011e-19 265 63.546 1.0888e-05 -3.52136 63.546000 Cu 0.13798 0.803994 0.5 267 63.546 2.66709e-05 -3.52135 63.546000 Cu 0.189685 0.773742 0.5 236 63.546 2.39919e-06 -3.5213 63.546000 Cu 0.25006 0.780234 8.70797e-16 238 63.546 2.8553e-06 -3.52136 63.546000 Cu 0.284601 0.801853 1.24763e-16 239 63.546 8.17487e-06 -3.5215 63.546000 Cu 0.224212 0.795354 0.5 240 63.546 7.6019e-06 -3.52143 63.546000 Cu 0.310437 0.786731 0.5 307 63.546 6.30254e-06 -3.52142 63.546000 Cu 0.336253 0.771602 0 275 63.546 3.37948e-06 -3.52141 63.546000 Cu 0.45697 0.784582 0 278 63.546 3.9283e-06 -3.52144 63.546000 Cu 0.482786 0.76944 0.5 279 63.546 3.60151e-06 -3.52141 63.546000 Cu 0.396614 0.778094 0.5 280 63.546 4.40147e-06 -3.52143 63.546000 Cu 0.370809 0.79323 3.71142e-16 308 63.546 1.09046e-05 -3.52146 63.546000 Cu 0.43117 0.799722 0.5 310 63.546 1.1805e-05 -3.52147 63.546000 Cu 0.491515 0.806205 2.42023e-19 312 63.546 8.87578e-06 -3.52142 63.546000 Cu 0.543139 0.77592 2.42023e-19 281 63.546 8.16031e-06 -3.52139 63.546000 Cu 0.577653 0.797534 1 282 63.546 1.08468e-05 -3.52136 63.546000 Cu 0.603495 0.782399 0.5 283 63.546 1.18318e-05 -3.52135 63.546000 Cu 0.517315 0.791061 0.5 284 63.546 3.75112e-06 -3.5214 63.546000 Cu 0.663859 0.788879 1 285 63.546 1.08542e-05 -3.52136 63.546000 Cu 0.637996 0.804006 0.5 288 63.546 2.39683e-05 -3.52134 63.546000 Cu 0.750097 0.780249 4.48831e-16 254 63.546 4.90752e-06 -3.52137 63.546000 Cu 0.689722 0.77376 0.5 256 63.546 9.95964e-07 -3.52132 63.546000 Cu 0.810469 0.786741 0.5 260 63.546 1.08415e-05 -3.52143 63.546000 Cu 0.724239 0.795367 0.5 287 63.546 4.87532e-06 -3.52142 63.546000 Cu 0.784625 0.801863 1 289 63.546 1.05758e-05 -3.52148 63.546000 Cu 0.98279 0.769431 0.5 233 63.546 3.14595e-06 -3.5214 63.546000 Cu 0.836289 0.771609 6.18247e-16 257 63.546 6.00757e-06 -3.52141 63.546000 Cu 0.870832 0.793234 0 258 63.546 1.49047e-05 -3.52147 63.546000 Cu 0.896639 0.778095 0.5 259 63.546 5.00501e-06 -3.52144 63.546000 Cu 0.956982 0.784577 4.23298e-16 261 63.546 3.1979e-06 -3.52144 63.546000 Cu 0.991519 0.806201 1 262 63.546 8.62661e-06 -3.52142 63.546000 Cu 0.931183 0.799722 0.5 264 63.546 1.36171e-05 -3.52147 63.546000 Cu 0.112157 0.81913 0 266 63.546 2.53658e-05 -3.52131 63.546000 Cu 0.0518365 0.81267 0.5 268 63.546 5.636e-06 -3.52134 63.546000 Cu 0.0260547 0.827818 0 297 63.546 2.45578e-05 -3.52149 63.546000 Cu 0.0863816 0.834276 0.5 299 63.546 1.68876e-05 -3.52142 63.546000 Cu 0.146718 0.840725 2.47347e-16 301 63.546 5.41771e-05 -3.52136 63.546000 Cu 0.000310752 0.842959 0.5 300 63.546 0.000130731 -3.52151 63.546000 Cu 0.198339 0.810472 1.71473e-16 269 63.546 3.32578e-05 -3.52138 63.546000 Cu 0.232872 0.832067 5.40678e-16 270 63.546 7.14744e-05 -3.52129 63.546000 Cu 0.258728 0.816964 0.5 271 63.546 1.6808e-05 -3.5214 63.546000 Cu 0.172499 0.825592 0.5 272 63.546 6.3904e-05 -3.52132 63.546000 Cu 0.293265 0.838556 0.5 273 63.546 5.69679e-05 -3.52126 63.546000 Cu 0.319129 0.823468 0 340 63.546 2.35084e-05 -3.52141 63.546000 Cu 0.405368 0.814859 1 309 63.546 4.4409e-05 -3.5216 63.546000 Cu 0.344992 0.808358 0.5 311 63.546 2.81377e-05 -3.52156 63.546000 Cu 0.465724 0.821349 0.5 315 63.546 4.42299e-05 -3.52157 63.546000 Cu 0.353698 0.845058 2.47347e-16 341 63.546 1.8501e-05 -3.52118 63.546000 Cu 0.379535 0.829976 0.5 342 63.546 7.44487e-05 -3.52144 63.546000 Cu 0.439931 0.836475 2.47347e-16 343 63.546 0.000120947 -3.52147 63.546000 Cu 0.50031 0.842962 0.5 345 63.546 0.000129322 -3.52151 63.546000 Cu 0.526056 0.827822 2.81956e-16 313 63.546 2.43385e-05 -3.52149 63.546000 Cu 0.551841 0.812677 0.5 314 63.546 6.67654e-06 -3.52134 63.546000 Cu 0.612166 0.819138 2.7881e-16 316 63.546 2.50297e-05 -3.52131 63.546000 Cu 0.646724 0.84073 0 317 63.546 5.35674e-05 -3.52136 63.546000 Cu 0.586386 0.83428 0.5 319 63.546 1.74578e-05 -3.52142 63.546000 Cu 0.698358 0.810482 5.17686e-16 286 63.546 2.88922e-05 -3.52136 63.546000 Cu 0.819142 0.823473 2.42023e-19 290 63.546 2.36259e-05 -3.52139 63.546000 Cu 0.758745 0.816972 0.5 292 63.546 1.43919e-05 -3.52137 63.546000 Cu 0.672511 0.825599 0.5 318 63.546 6.11614e-05 -3.52131 63.546000 Cu 0.732883 0.832072 1 320 63.546 6.83576e-05 -3.52128 63.546000 Cu 0.793274 0.838559 0.5 322 63.546 5.53982e-05 -3.52125 63.546000 Cu 0.84501 0.808363 0.5 291 63.546 3.33509e-05 -3.52155 63.546000 Cu 0.905379 0.81486 8.65836e-16 293 63.546 4.86864e-05 -3.52159 63.546000 Cu 0.939935 0.836475 1 294 63.546 0.000122818 -3.52147 63.546000 Cu 0.965728 0.821347 0.5 295 63.546 4.63753e-05 -3.52156 63.546000 Cu 0.879544 0.829977 0.5 296 63.546 7.57919e-05 -3.52142 63.546000 Cu 0.853704 0.845059 9.6688e-17 324 63.546 1.80838e-05 -3.52118 63.546000 Cu 0.060664 0.849424 1 298 63.546 7.1911e-05 -3.52147 63.546000 Cu 0.121021 0.855869 0.5 304 63.546 3.02354e-05 -3.52128 63.546000 Cu 0.0093456 0.879654 0 329 63.546 0.000229919 -3.5215 63.546000 Cu 0.0350028 0.864557 0.5 330 63.546 0.000220195 -3.52152 63.546000 Cu 0.095402 0.871013 0 332 63.546 8.70599e-05 -3.52133 63.546000 Cu 0.155772 0.877435 0.5 334 63.546 3.70215e-05 -3.52099 63.546000 Cu 0.181392 0.862306 3.17292e-16 302 63.546 6.36846e-05 -3.52116 63.546000 Cu 0.207083 0.847179 0.5 303 63.546 0.000109646 -3.52139 63.546000 Cu 0.267489 0.85365 3.69326e-16 305 63.546 8.64121e-05 -3.52142 63.546000 Cu 0.241796 0.868755 0.5 306 63.546 7.30266e-05 -3.5213 63.546000 Cu 0.216152 0.883863 1.6869e-16 336 63.546 0.000138974 -3.52102 63.546000 Cu 0.302213 0.875228 1 373 63.546 3.38843e-05 -3.52142 63.546000 Cu 0.327918 0.860135 0.5 374 63.546 5.8395e-05 -3.52133 63.546000 Cu 0.474581 0.858069 2.43959e-16 344 63.546 0.000141849 -3.52135 63.546000 Cu 0.414141 0.851564 0.5 346 63.546 3.69586e-05 -3.52116 63.546000 Cu 0.388366 0.86663 0 375 63.546 3.53258e-05 -3.52113 63.546000 Cu 0.448837 0.873138 0.5 377 63.546 1.6737e-05 -3.52118 63.546000 Cu 0.362643 0.881707 0.5 378 63.546 5.05369e-05 -3.52119 63.546000 Cu 0.560666 0.849427 3.71142e-16 347 63.546 7.19244e-05 -3.52147 63.546000 Cu 0.595403 0.871014 0 348 63.546 8.70718e-05 -3.52133 63.546000 Cu 0.621024 0.855871 0.5 349 63.546 3.05293e-05 -3.52128 63.546000 Cu 0.535003 0.864558 0.5 350 63.546 0.000218916 -3.52152 63.546000 Cu 0.655773 0.877436 0.5 354 63.546 3.70231e-05 -3.52099 63.546000 Cu 0.509345 0.879654 1 379 63.546 0.000228278 -3.5215 63.546000 Cu 0.767494 0.853652 1 321 63.546 8.51075e-05 -3.52142 63.546000 Cu 0.707089 0.847182 0.5 323 63.546 0.000107806 -3.52139 63.546000 Cu 0.827922 0.860136 0.5 327 63.546 5.76872e-05 -3.52133 63.546000 Cu 0.681395 0.862308 1 351 63.546 6.26218e-05 -3.52116 63.546000 Cu 0.716153 0.883864 1.23795e-16 352 63.546 0.000138048 -3.52102 63.546000 Cu 0.741798 0.868756 0.5 353 63.546 7.19193e-05 -3.5213 63.546000 Cu 0.802215 0.875228 8.63053e-16 355 63.546 3.34648e-05 -3.52141 63.546000 Cu 0.888368 0.86663 1 325 63.546 3.5028e-05 -3.52114 63.546000 Cu 0.914144 0.851564 0.5 326 63.546 3.7592e-05 -3.52116 63.546000 Cu 0.974582 0.858068 2.56907e-16 328 63.546 0.000143503 -3.52135 63.546000 Cu 0.948838 0.873138 0.5 331 63.546 1.7431e-05 -3.52118 63.546000 Cu 0.862644 0.881708 0.5 357 63.546 4.9933e-05 -3.52119 63.546000 Cu 0.130153 0.892593 0 333 63.546 0.000127468 -3.52134 63.546000 Cu 0.0697935 0.886149 0.5 335 63.546 0.000443593 -3.52167 63.546000 Cu 0.044138 0.901247 1 363 63.546 0.00060962 -3.52189 63.546000 Cu 0.0789893 0.922866 3.71142e-16 364 63.546 0.0024908 -3.52281 63.546000 Cu 0.104559 0.907755 0.5 365 63.546 0.00114691 -3.52222 63.546000 Cu 0.0183451 0.916269 0.5 366 63.546 0.000261788 -3.52117 63.546000 Cu 0.164883 0.91417 3.31571e-17 367 63.546 0.000391998 -3.52098 63.546000 Cu 0.250913 0.905411 0 337 63.546 0.000455997 -3.52099 63.546000 Cu 0.276568 0.89032 0.5 338 63.546 4.92478e-05 -3.52142 63.546000 Cu 0.190487 0.898988 0.5 339 63.546 0.000275245 -3.52073 63.546000 Cu 0.225068 0.92051 0.5 369 63.546 0.00238158 -3.51901 63.546000 Cu 0.311339 0.911898 0.5 410 63.546 0.000233298 -3.52207 63.546000 Cu 0.423103 0.888192 4.94815e-16 376 63.546 0.000108001 -3.5209 63.546000 Cu 0.483611 0.894704 0.5 382 63.546 4.26611e-05 -3.5212 63.546000 Cu 0.336999 0.896798 1 407 63.546 2.54991e-05 -3.52145 63.546000 Cu 0.371649 0.918387 0 408 63.546 0.000145305 -3.52199 63.546000 Cu 0.397384 0.903267 0.5 409 63.546 0.000140572 -3.52097 63.546000 Cu 0.457789 0.909742 1 411 63.546 0.000483756 -3.52057 63.546000 Cu 0.544138 0.901247 2.71912e-16 380 63.546 0.000608275 -3.52189 63.546000 Cu 0.569794 0.886149 0.5 381 63.546 0.000442422 -3.52167 63.546000 Cu 0.630153 0.892593 1 383 63.546 0.000127588 -3.52134 63.546000 Cu 0.664883 0.914171 1 384 63.546 0.000392487 -3.52098 63.546000 Cu 0.604559 0.907755 0.5 386 63.546 0.00114625 -3.52222 63.546000 Cu 0.518345 0.916269 0.5 413 63.546 0.000261452 -3.52117 63.546000 Cu 0.578989 0.922867 1 415 63.546 0.00249011 -3.52282 63.546000 Cu 0.776569 0.890321 0.5 358 63.546 4.90294e-05 -3.52142 63.546000 Cu 0.690487 0.898988 0.5 385 63.546 0.000275246 -3.52073 63.546000 Cu 0.750913 0.905411 1.21011e-19 387 63.546 0.000455248 -3.52099 63.546000 Cu 0.811339 0.911898 0.5 389 63.546 0.00023327 -3.52207 63.546000 Cu 0.725068 0.92051 0.5 390 63.546 0.00238157 -3.51901 63.546000 Cu 0.836999 0.896798 1 356 63.546 2.53219e-05 -3.52145 63.546000 Cu 0.923104 0.888192 1 359 63.546 0.000107379 -3.5209 63.546000 Cu 0.957789 0.909742 1.58041e-16 360 63.546 0.000483332 -3.52057 63.546000 Cu 0.983611 0.894703 0.5 361 63.546 4.29302e-05 -3.5212 63.546000 Cu 0.897385 0.903267 0.5 362 63.546 0.000139934 -3.52097 63.546000 Cu 0.87165 0.918387 1 391 63.546 0.000145338 -3.52199 63.546000 Cu 0.139363 0.929413 0.5 370 63.546 0.00440335 -3.52268 63.546000 Cu 0.0268936 0.952653 1 396 63.546 0.0244498 -3.5138 63.546000 Cu 0.053231 0.93783 0.5 397 63.546 0.00216905 -3.52018 63.546000 Cu 0.113878 0.94461 2.47468e-16 399 63.546 0.0151226 -3.52366 63.546000 Cu 0.0879171 0.959462 0.5 402 63.546 0.0185044 -3.51484 63.546000 Cu 0.199314 0.935766 1 368 63.546 0.0023344 -3.51883 63.546000 Cu 0.285445 0.926953 3.83364e-16 371 63.546 0.00136122 -3.52036 63.546000 Cu 0.259233 0.941937 0.5 372 63.546 0.0205857 -3.51432 63.546000 Cu 0.173958 0.951209 0.5 401 63.546 0.0178283 -3.52274 63.546000 Cu 0.23341 0.957391 9.42678e-17 403 63.546 0.0124793 -3.51077 63.546000 Cu 0.320011 0.948461 3.709e-16 437 63.546 0.00960169 -3.52054 63.546000 Cu 0.492443 0.93124 4.94694e-16 412 63.546 0.00309257 -3.51956 63.546000 Cu 0.431983 0.924823 0.5 414 63.546 0.000486132 -3.5208 63.546000 Cu 0.345928 0.933512 0.5 438 63.546 0.00230585 -3.52352 63.546000 Cu 0.406285 0.939975 0 439 63.546 0.00127842 -3.52337 63.546000 Cu 0.44114 0.961505 1.21011e-19 440 63.546 0.0238888 -3.51013 63.546000 Cu 0.466708 0.946338 0.5 441 63.546 0.0024116 -3.51864 63.546000 Cu 0.380877 0.955187 0.5 442 63.546 0.0306901 -3.52627 63.546000 Cu 0.613878 0.94461 0 416 63.546 0.0151222 -3.52366 63.546000 Cu 0.639363 0.929413 0.5 417 63.546 0.00440318 -3.52268 63.546000 Cu 0.553231 0.93783 0.5 418 63.546 0.00216892 -3.52018 63.546000 Cu 0.526894 0.952653 0 443 63.546 0.02445 -3.5138 63.546000 Cu 0.587917 0.959462 0.5 445 63.546 0.0185043 -3.51484 63.546000 Cu 0.785445 0.926953 1.21011e-19 388 63.546 0.0013608 -3.52036 63.546000 Cu 0.699314 0.935766 3.96191e-16 419 63.546 0.00233489 -3.51883 63.546000 Cu 0.73341 0.957391 1 420 63.546 0.0124795 -3.51077 63.546000 Cu 0.759233 0.941937 0.5 421 63.546 0.0205858 -3.51432 63.546000 Cu 0.673958 0.951209 0.5 422 63.546 0.0178282 -3.52274 63.546000 Cu 0.820011 0.948461 1 423 63.546 0.00960149 -3.52054 63.546000 Cu 0.906285 0.939975 3.50812e-16 392 63.546 0.00127845 -3.52337 63.546000 Cu 0.931983 0.924823 0.5 393 63.546 0.000485892 -3.5208 63.546000 Cu 0.845928 0.933512 0.5 394 63.546 0.002306 -3.52352 63.546000 Cu 0.992443 0.93124 1 395 63.546 0.00309229 -3.51956 63.546000 Cu 0.966708 0.946338 0.5 398 63.546 0.00241151 -3.51864 63.546000 Cu 0.880877 0.955187 0.5 425 63.546 0.0306903 -3.52627 63.546000 Cu 0.94114 0.961505 4.34189e-16 427 63.546 0.0238887 -3.51013 63.546000 Cu 0.148678 0.966669 1 400 63.546 0.142656 -3.51415 63.546000 Cu 0.0595668 0.973884 0 431 63.546 0.284902 -3.4675 63.546000 Cu 0.0930252 0.993892 3.71384e-16 432 63.546 9.08159 -3.21837 63.546000 Cu 0.123171 0.981069 0.5 433 63.546 0.622406 -3.45614 63.546000 Cu 0.0317957 0.990783 0.5 434 63.546 6.65188 -3.44308 63.546000 Cu 0.000891844 0.967964 0.5 429 63.546 0.0550308 -3.4983 63.546000 Cu 0.183507 0.990452 1 482 63.546 5.77817 -3.46344 63.546000 Cu 0.268264 0.979 3.59888e-16 404 63.546 1.15604 -3.45382 63.546000 Cu 0.292969 0.963105 0.5 405 63.546 0.167393 -3.49606 63.546000 Cu 0.208282 0.973136 0.5 406 63.546 0.150497 -3.49412 63.546000 Cu 0.246756 0.993873 0.5 436 63.546 11.8501 -3.33221 63.546000 Cu 0.32872 0.983273 0.5 460 63.546 9.06994 -3.27067 63.546000 Cu 0.356188 0.96986 1.21011e-19 457 63.546 0.150525 -3.47797 63.546000 Cu 0.390428 0.993201 1.23795e-16 458 63.546 8.08173 -3.45403 63.546000 Cu 0.415694 0.977501 0.5 459 63.546 1.36802 -3.4484 63.546000 Cu 0.47415 0.982806 1.09031e-16 461 63.546 7.09565 -3.34767 63.546000 Cu 0.500892 0.967964 0.5 446 63.546 0.0550308 -3.4983 63.546000 Cu 0.559567 0.973884 1 444 63.546 0.284902 -3.4675 63.546000 Cu 0.648678 0.966669 1 447 63.546 0.142656 -3.51415 63.546000 Cu 0.623171 0.981069 0.5 450 63.546 0.622406 -3.45614 63.546000 Cu 0.531796 0.990783 0.5 462 63.546 6.65188 -3.44308 63.546000 Cu 0.593025 0.993892 0 464 63.546 9.08159 -3.21837 63.546000 Cu 0.683507 0.990452 1 466 63.546 5.77817 -3.46344 63.546000 Cu 0.792969 0.963105 0.5 426 63.546 0.167393 -3.49606 63.546000 Cu 0.708282 0.973136 0.5 449 63.546 0.150497 -3.49412 63.546000 Cu 0.768264 0.979 3.71021e-16 451 63.546 1.15604 -3.45382 63.546000 Cu 0.82872 0.983273 0.5 453 63.546 9.06994 -3.27067 63.546000 Cu 0.746756 0.993873 0.5 454 63.546 11.8501 -3.33221 63.546000 Cu 0.856188 0.96986 5.68753e-17 424 63.546 0.150525 -3.47797 63.546000 Cu 0.97415 0.982806 0 428 63.546 7.09565 -3.34767 63.546000 Cu 0.915694 0.977501 0.5 430 63.546 1.36802 -3.4484 63.546000 Cu 0.890428 0.993201 6.60722e-17 455 63.546 8.08173 -3.45403