Number of particles = 652 A = 1 Angstrom (basic length-scale) H0(1,1) = 23.1448 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 92.5954 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61284 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 0.0992578 0.0191543 1 386 63.546 0.0731503 -3.52666 63.546000 Cu 0.0494277 0.00472874 0.5 387 63.546 0.0902014 -3.52604 63.546000 Cu 0.0379987 0.0327518 0.5 388 63.546 0.0146101 -3.53326 63.546000 Cu 0.159484 0.00519627 0.5 389 63.546 0.361687 -3.49486 63.546000 Cu 0.146836 0.0345271 0.5 417 63.546 0.0789291 -3.53231 63.546000 Cu 0.0862137 0.0475452 2.40078e-19 415 63.546 0.0268997 -3.53812 63.546000 Cu 0.207148 0.0219714 1.88221e-16 419 63.546 0.227047 -3.52211 63.546000 Cu 0.328601 0.0032563 2.52922e-16 331 63.546 7.57617 -3.26983 63.546000 Cu 0.377787 0.0175577 0.5 333 63.546 0.500885 -3.49274 63.546000 Cu 0.365039 0.0440986 0.5 335 63.546 0.115253 -3.51986 63.546000 Cu 0.315061 0.0289375 2.19851e-16 420 63.546 0.517474 -3.47537 63.546000 Cu 0.264193 0.0095994 0.5 421 63.546 5.72339 -3.46968 63.546000 Cu 0.254385 0.0388812 0.5 422 63.546 0.088615 -3.53207 63.546000 Cu 0.439134 0.00445426 1 332 63.546 0.124951 -3.5325 63.546000 Cu 0.427403 0.0316538 1.21839e-17 337 63.546 0.0370587 -3.53001 63.546000 Cu 0.537999 0.0327518 3.30167e-16 338 63.546 0.0146101 -3.53326 63.546000 Cu 0.489011 0.0184426 0.5 339 63.546 0.0252444 -3.53324 63.546000 Cu 0.476297 0.0459746 0.5 340 63.546 0.0070198 -3.53549 63.546000 Cu 0.549428 0.00472874 2.41758e-16 341 63.546 0.0902014 -3.52604 63.546000 Cu 0.599258 0.0191543 0.5 343 63.546 0.0731503 -3.52666 63.546000 Cu 0.586214 0.0475452 0.5 353 63.546 0.0268997 -3.53812 63.546000 Cu 0.659484 0.00519627 1.04434e-17 342 63.546 0.361687 -3.49486 63.546000 Cu 0.646836 0.0345271 1.95543e-16 355 63.546 0.0789291 -3.53231 63.546000 Cu 0.754385 0.0388812 1.20039e-19 356 63.546 0.088615 -3.53207 63.546000 Cu 0.707148 0.0219714 0.5 357 63.546 0.227047 -3.52211 63.546000 Cu 0.764193 0.0095994 1 359 63.546 5.72339 -3.46968 63.546000 Cu 0.877787 0.0175577 1 360 63.546 0.500885 -3.49274 63.546000 Cu 0.828601 0.0032563 0.5 361 63.546 7.57617 -3.26983 63.546000 Cu 0.815061 0.0289375 0.5 362 63.546 0.517474 -3.47537 63.546000 Cu 0.939134 0.00445426 0.5 363 63.546 0.124951 -3.5325 63.546000 Cu 0.865039 0.0440986 5.04163e-18 381 63.546 0.115253 -3.51986 63.546000 Cu 0.976297 0.0459746 1 382 63.546 0.0070198 -3.53549 63.546000 Cu 0.927403 0.0316538 0.5 383 63.546 0.0370587 -3.53001 63.546000 Cu 0.989011 0.0184426 1.34444e-17 385 63.546 0.0252444 -3.53324 63.546000 Cu 0.0733654 0.0754937 2.38757e-16 412 63.546 0.0114356 -3.54111 63.546000 Cu 0.0249597 0.0605725 0.5 413 63.546 0.00556152 -3.5386 63.546000 Cu 0.194755 0.0506076 2.10668e-17 416 63.546 0.0448173 -3.53859 63.546000 Cu 0.134273 0.0628597 0.5 418 63.546 0.0313306 -3.54095 63.546000 Cu 0.121594 0.0907616 0.5 449 63.546 0.0120615 -3.54234 63.546000 Cu 0.18234 0.078584 1.20039e-19 451 63.546 0.0135697 -3.54118 63.546000 Cu 0.012086 0.0881872 0.5 414 63.546 0.00212465 -3.54035 63.546000 Cu 0.352833 0.0709755 0.5 336 63.546 0.0334671 -3.52759 63.546000 Cu 0.291492 0.0827466 1 452 63.546 0.0179415 -3.53049 63.546000 Cu 0.24283 0.0668148 0.5 453 63.546 0.0119844 -3.53955 63.546000 Cu 0.230606 0.0943662 0.5 454 63.546 0.0027595 -3.53907 63.546000 Cu 0.303558 0.055697 6.00194e-20 455 63.546 0.0846446 -3.51859 63.546000 Cu 0.414495 0.0587313 1.2268e-16 334 63.546 0.017224 -3.53295 63.546000 Cu 0.401859 0.0858706 2.45479e-16 347 63.546 0.00745818 -3.53539 63.546000 Cu 0.512086 0.0881872 2.43799e-16 348 63.546 0.00212465 -3.54035 63.546000 Cu 0.463426 0.073381 0.5 349 63.546 0.00323593 -3.53746 63.546000 Cu 0.52496 0.0605725 6.8062e-17 351 63.546 0.00556152 -3.5386 63.546000 Cu 0.573365 0.0754937 0.5 354 63.546 0.0114356 -3.54111 63.546000 Cu 0.634273 0.0628597 6.00194e-20 352 63.546 0.0313306 -3.54095 63.546000 Cu 0.694755 0.0506076 0.5 358 63.546 0.0448173 -3.53859 63.546000 Cu 0.621594 0.0907616 1 373 63.546 0.0120615 -3.54234 63.546000 Cu 0.730606 0.0943662 1.41706e-16 374 63.546 0.0027595 -3.53907 63.546000 Cu 0.68234 0.078584 0.5 375 63.546 0.0135697 -3.54118 63.546000 Cu 0.74283 0.0668148 1.00052e-16 377 63.546 0.0119844 -3.53955 63.546000 Cu 0.791492 0.0827466 0.5 380 63.546 0.0179415 -3.53049 63.546000 Cu 0.803558 0.055697 0.5 379 63.546 0.0846446 -3.51859 63.546000 Cu 0.852833 0.0709755 1.76097e-16 378 63.546 0.0334671 -3.52759 63.546000 Cu 0.914495 0.0587313 0.5 384 63.546 0.017224 -3.53295 63.546000 Cu 0.901859 0.0858706 0.5 409 63.546 0.00745818 -3.53539 63.546000 Cu 0.963426 0.073381 1 411 63.546 0.00323593 -3.53746 63.546000 Cu 0.0478667 0.130806 1 444 63.546 0.00162728 -3.54095 63.546000 Cu 0.060595 0.103217 2.4572e-16 447 63.546 0.00432673 -3.54182 63.546000 Cu 0.169869 0.106282 1.2292e-16 448 63.546 0.00460456 -3.54152 63.546000 Cu 0.108946 0.118465 0.5 450 63.546 0.00416775 -3.54205 63.546000 Cu 0.157295 0.133866 1.2298e-16 483 63.546 0.00146711 -3.54164 63.546000 Cu 0.389338 0.113088 1.8534e-16 344 63.546 0.00292159 -3.53724 63.546000 Cu 0.340426 0.0980413 0.5 345 63.546 0.0105146 -3.53423 63.546000 Cu 0.328014 0.125237 0.5 346 63.546 0.00329247 -3.53682 63.546000 Cu 0.376783 0.140366 1.11996e-16 365 63.546 0.00095631 -3.53827 63.546000 Cu 0.26685 0.137269 1.98484e-16 484 63.546 0.00158157 -3.53823 63.546000 Cu 0.218261 0.121827 0.5 485 63.546 0.00085356 -3.54011 63.546000 Cu 0.279237 0.109959 1.20039e-19 487 63.546 0.00477169 -3.53586 63.546000 Cu 0.450717 0.100748 0.5 350 63.546 0.00157726 -3.53878 63.546000 Cu 0.438074 0.128103 0.5 367 63.546 0.000639548 -3.53907 63.546000 Cu 0.499384 0.11571 2.51181e-16 369 63.546 0.000831583 -3.54011 63.546000 Cu 0.560595 0.103217 0.5 371 63.546 0.00432673 -3.54182 63.546000 Cu 0.547867 0.130806 0.5 372 63.546 0.00162728 -3.54095 63.546000 Cu 0.608946 0.118465 2.4668e-17 370 63.546 0.00416775 -3.54205 63.546000 Cu 0.669869 0.106282 0.5 376 63.546 0.00460456 -3.54152 63.546000 Cu 0.657295 0.133866 0.5 401 63.546 0.00146711 -3.54164 63.546000 Cu 0.718261 0.121827 2.44999e-16 403 63.546 0.00085356 -3.54011 63.546000 Cu 0.779237 0.109959 0.5 405 63.546 0.00477169 -3.53586 63.546000 Cu 0.76685 0.137269 0.5 406 63.546 0.00158157 -3.53823 63.546000 Cu 0.828014 0.125237 6.67416e-17 404 63.546 0.00329247 -3.53682 63.546000 Cu 0.840426 0.0980413 2.02265e-16 407 63.546 0.0105146 -3.53423 63.546000 Cu 0.950717 0.100748 1.2286e-16 408 63.546 0.00157726 -3.53878 63.546000 Cu 0.889338 0.113088 0.5 410 63.546 0.00292159 -3.53724 63.546000 Cu 0.876783 0.140366 0.5 441 63.546 0.00095631 -3.53827 63.546000 Cu 0.938074 0.128103 2.53222e-16 443 63.546 0.000639548 -3.53907 63.546000 Cu 0.999384 0.11571 0.5 445 63.546 0.000831583 -3.54011 63.546000 Cu 0.0228204 0.185788 1 476 63.546 0.000285714 -3.54069 63.546000 Cu 0.0352919 0.158319 1 479 63.546 0.000634179 -3.54062 63.546000 Cu 0.144859 0.161375 1.80058e-19 480 63.546 0.000480178 -3.54063 63.546000 Cu 0.0963262 0.14605 0.5 481 63.546 0.00144528 -3.54122 63.546000 Cu 0.0838748 0.173557 0.5 482 63.546 0.00048497 -3.54057 63.546000 Cu 0.132483 0.18883 7.34038e-17 515 63.546 0.00026183 -3.54006 63.546000 Cu 0.193484 0.17671 0.5 517 63.546 8.01999e-05 -3.5396 63.546000 Cu 0.20583 0.149281 0.5 486 63.546 0.000280571 -3.54021 63.546000 Cu 0.364348 0.1677 1.8504e-16 364 63.546 0.000304439 -3.5394 63.546000 Cu 0.254504 0.164619 1 519 63.546 0.000381601 -3.53908 63.546000 Cu 0.315586 0.152518 0.5 520 63.546 0.000849898 -3.53819 63.546000 Cu 0.303233 0.179874 0.5 521 63.546 0.000306928 -3.5392 63.546000 Cu 0.413036 0.182877 0.5 393 63.546 0.000120624 -3.53994 63.546000 Cu 0.486695 0.14318 1.21839e-17 366 63.546 0.000253986 -3.54023 63.546000 Cu 0.425503 0.155479 0.5 368 63.546 0.000268334 -3.53947 63.546000 Cu 0.474166 0.170618 1.00833e-16 395 63.546 5.42938e-05 -3.54001 63.546000 Cu 0.583875 0.173557 1 396 63.546 0.00048497 -3.54057 63.546000 Cu 0.535292 0.158319 0.5 397 63.546 0.000634179 -3.54062 63.546000 Cu 0.52282 0.185788 0.5 398 63.546 0.000285714 -3.54069 63.546000 Cu 0.596326 0.14605 2.09888e-16 399 63.546 0.00144528 -3.54122 63.546000 Cu 0.70583 0.149281 1.05754e-16 400 63.546 0.000280571 -3.54021 63.546000 Cu 0.644859 0.161375 0.5 402 63.546 0.000480178 -3.54063 63.546000 Cu 0.632483 0.18883 0.5 433 63.546 0.00026183 -3.54006 63.546000 Cu 0.693484 0.17671 1.20039e-19 435 63.546 8.01999e-05 -3.5396 63.546000 Cu 0.754504 0.164619 0.5 437 63.546 0.000381601 -3.53908 63.546000 Cu 0.803233 0.179874 1 436 63.546 0.000306928 -3.5392 63.546000 Cu 0.815586 0.152518 0 439 63.546 0.000849898 -3.53819 63.546000 Cu 0.925503 0.155479 0 440 63.546 0.000268334 -3.53947 63.546000 Cu 0.864348 0.1677 0.5 442 63.546 0.000304439 -3.5394 63.546000 Cu 0.986695 0.14318 0.5 446 63.546 0.000253986 -3.54023 63.546000 Cu 0.913036 0.182877 2.34076e-17 475 63.546 0.000120624 -3.53994 63.546000 Cu 0.974166 0.170618 0.5 477 63.546 5.42938e-05 -3.54001 63.546000 Cu 0.119904 0.216281 1 512 63.546 0.000115567 -3.54037 63.546000 Cu 0.0713815 0.201024 0.5 513 63.546 0.000187173 -3.54085 63.546000 Cu 0.0587898 0.228486 0.5 514 63.546 5.40975e-05 -3.54027 63.546000 Cu 0.181038 0.204122 0.5 518 63.546 4.28617e-05 -3.53983 63.546000 Cu 0.168494 0.231542 0.5 549 63.546 5.31053e-05 -3.53992 63.546000 Cu 0.0102084 0.213258 1 511 63.546 6.13001e-05 -3.54043 63.546000 Cu 0.339345 0.222505 1.20039e-19 390 63.546 0.000187651 -3.53986 63.546000 Cu 0.351907 0.195092 1 391 63.546 0.000223529 -3.53957 63.546000 Cu 0.387961 0.237732 0.5 425 63.546 0.000116685 -3.54019 63.546000 Cu 0.242156 0.191995 1 516 63.546 8.84237e-05 -3.53919 63.546000 Cu 0.229595 0.219395 2.44159e-16 551 63.546 2.28565e-05 -3.53966 63.546000 Cu 0.290785 0.207254 0.5 552 63.546 8.80944e-05 -3.53944 63.546000 Cu 0.27823 0.234652 0.5 553 63.546 1.77079e-05 -3.53968 63.546000 Cu 0.400491 0.210302 0.5 394 63.546 0.000112761 -3.53986 63.546000 Cu 0.461672 0.198053 2.43679e-17 392 63.546 3.69021e-05 -3.54031 63.546000 Cu 0.449103 0.225498 1.02573e-16 427 63.546 1.54594e-05 -3.54006 63.546000 Cu 0.55879 0.228486 1 428 63.546 5.40975e-05 -3.54027 63.546000 Cu 0.510208 0.213258 0.5 429 63.546 6.13001e-05 -3.54043 63.546000 Cu 0.571382 0.201024 9.03893e-17 431 63.546 0.000187173 -3.54085 63.546000 Cu 0.681038 0.204122 1 432 63.546 4.28617e-05 -3.53983 63.546000 Cu 0.619904 0.216281 0.5 434 63.546 0.000115567 -3.54037 63.546000 Cu 0.742156 0.191995 0.5 438 63.546 8.84237e-05 -3.53919 63.546000 Cu 0.668494 0.231542 1 467 63.546 5.31053e-05 -3.53992 63.546000 Cu 0.77823 0.234652 1 468 63.546 1.77079e-05 -3.53968 63.546000 Cu 0.729595 0.219395 0.5 469 63.546 2.28565e-05 -3.53966 63.546000 Cu 0.790785 0.207254 1 471 63.546 8.80944e-05 -3.53944 63.546000 Cu 0.900491 0.210302 1 472 63.546 0.000112761 -3.53986 63.546000 Cu 0.851907 0.195092 0.5 473 63.546 0.000223529 -3.53957 63.546000 Cu 0.839345 0.222505 0.5 474 63.546 0.000187651 -3.53986 63.546000 Cu 0.961672 0.198053 0.5 478 63.546 3.69021e-05 -3.54031 63.546000 Cu 0.887961 0.237732 2.25913e-16 507 63.546 0.000116685 -3.54019 63.546000 Cu 0.949103 0.225498 0.5 509 63.546 1.54594e-05 -3.54006 63.546000 Cu 0.0947805 0.271157 1.2298e-16 544 63.546 0.000191809 -3.54 63.546000 Cu 0.0461677 0.255941 0.5 545 63.546 7.67093e-05 -3.54017 63.546000 Cu 0.033744 0.283412 0.5 546 63.546 0.000147008 -3.54048 63.546000 Cu 0.107338 0.243727 1 547 63.546 5.39739e-05 -3.54014 63.546000 Cu 0.155921 0.25896 0.5 550 63.546 0.000103048 -3.53956 63.546000 Cu 0.20459 0.274182 6.58413e-17 583 63.546 0.000328099 -3.53915 63.546000 Cu 0.326805 0.249925 1.2286e-16 423 63.546 0.000168011 -3.53967 63.546000 Cu 0.375396 0.265177 0.5 426 63.546 0.000221764 -3.54001 63.546000 Cu 0.217082 0.246798 1.80058e-19 548 63.546 3.58482e-05 -3.5394 63.546000 Cu 0.31434 0.277339 2.05927e-16 584 63.546 0.000206841 -3.53961 63.546000 Cu 0.265689 0.262056 0.5 585 63.546 4.44691e-05 -3.53909 63.546000 Cu 0.436498 0.252953 1 424 63.546 4.44817e-05 -3.54044 63.546000 Cu 0.497677 0.240715 0.5 430 63.546 2.80312e-05 -3.54012 63.546000 Cu 0.424047 0.28043 8.42673e-17 459 63.546 0.000225627 -3.54054 63.546000 Cu 0.533744 0.283412 6.54212e-18 460 63.546 0.000147008 -3.54048 63.546000 Cu 0.485074 0.268188 0.5 461 63.546 8.78823e-05 -3.54069 63.546000 Cu 0.546168 0.255941 3.98529e-17 463 63.546 7.67093e-05 -3.54017 63.546000 Cu 0.59478 0.271157 0.5 466 63.546 0.000191809 -3.54 63.546000 Cu 0.607338 0.243727 0.5 465 63.546 5.39739e-05 -3.54014 63.546000 Cu 0.655921 0.25896 1.2292e-16 464 63.546 0.000103048 -3.53956 63.546000 Cu 0.717082 0.246798 0.5 470 63.546 3.58482e-05 -3.5394 63.546000 Cu 0.70459 0.274182 0.5 501 63.546 0.000328099 -3.53915 63.546000 Cu 0.765689 0.262056 1.15357e-16 503 63.546 4.44691e-05 -3.53909 63.546000 Cu 0.875396 0.265177 1.80058e-19 504 63.546 0.000221764 -3.54001 63.546000 Cu 0.826805 0.249925 0.5 505 63.546 0.000168011 -3.53967 63.546000 Cu 0.81434 0.277339 0.5 506 63.546 0.000206841 -3.53961 63.546000 Cu 0.997677 0.240715 1 508 63.546 2.80312e-05 -3.54012 63.546000 Cu 0.936498 0.252953 0.5 510 63.546 4.44817e-05 -3.54044 63.546000 Cu 0.924047 0.28043 0.5 541 63.546 0.000225627 -3.54054 63.546000 Cu 0.985074 0.268188 1 543 63.546 8.78823e-05 -3.54069 63.546000 Cu 0.070781 0.326018 1.228e-16 576 63.546 0.000263098 -3.53989 63.546000 Cu 0.0216864 0.310884 0.5 577 63.546 0.000292667 -3.54069 63.546000 Cu 0.0825744 0.298597 1.14757e-16 579 63.546 0.000248884 -3.53973 63.546000 Cu 0.192477 0.301577 1.41346e-16 580 63.546 0.00057796 -3.53897 63.546000 Cu 0.143536 0.286363 0.5 581 63.546 0.000377219 -3.53951 63.546000 Cu 0.131611 0.313754 0.5 582 63.546 0.000638041 -3.53897 63.546000 Cu 0.180774 0.328944 1.58691e-16 613 63.546 0.00134668 -3.53853 63.546000 Cu 0.363122 0.292632 0.5 457 63.546 0.000364061 -3.54027 63.546000 Cu 0.35128 0.320121 0.5 458 63.546 0.000610756 -3.54036 63.546000 Cu 0.253354 0.289452 0.5 586 63.546 0.000293683 -3.53947 63.546000 Cu 0.290661 0.332207 9.93322e-17 614 63.546 0.000260494 -3.53972 63.546000 Cu 0.241527 0.316848 0.5 615 63.546 0.000485798 -3.539 63.546000 Cu 0.302312 0.304764 1.93623e-16 617 63.546 0.000177431 -3.5399 63.546000 Cu 0.411973 0.307927 2.31495e-16 456 63.546 0.00053333 -3.54071 63.546000 Cu 0.472779 0.29568 0.5 462 63.546 0.000356005 -3.54081 63.546000 Cu 0.460887 0.323199 0.5 493 63.546 0.000963299 -3.54103 63.546000 Cu 0.521686 0.310884 9.08694e-17 495 63.546 0.000292667 -3.54069 63.546000 Cu 0.582574 0.298597 0.5 497 63.546 0.000248884 -3.53973 63.546000 Cu 0.570781 0.326018 0.5 498 63.546 0.000263098 -3.53989 63.546000 Cu 0.631611 0.313754 1.2292e-16 496 63.546 0.000638041 -3.53897 63.546000 Cu 0.643536 0.286363 2.45599e-16 499 63.546 0.000377219 -3.53951 63.546000 Cu 0.753354 0.289452 8.9489e-17 500 63.546 0.000293683 -3.53947 63.546000 Cu 0.692477 0.301577 0.5 502 63.546 0.00057796 -3.53897 63.546000 Cu 0.680774 0.328944 0.5 533 63.546 0.00134668 -3.53853 63.546000 Cu 0.741527 0.316848 1.34864e-16 535 63.546 0.000485798 -3.539 63.546000 Cu 0.790661 0.332207 0.5 538 63.546 0.000260494 -3.53972 63.546000 Cu 0.802312 0.304764 0.5 537 63.546 0.000177431 -3.5399 63.546000 Cu 0.85128 0.320121 1.16018e-16 536 63.546 0.000610756 -3.54036 63.546000 Cu 0.863122 0.292632 1 539 63.546 0.000364061 -3.54027 63.546000 Cu 0.972779 0.29568 1.2298e-16 540 63.546 0.000356005 -3.54081 63.546000 Cu 0.911973 0.307927 0.5 542 63.546 0.00053333 -3.54071 63.546000 Cu 0.960887 0.323199 6.71617e-17 575 63.546 0.000963299 -3.54103 63.546000 Cu 0.0591738 0.353436 1.2268e-16 609 63.546 0.000605601 -3.53926 63.546000 Cu 0.169324 0.356266 2.60004e-16 610 63.546 0.00374704 -3.53708 63.546000 Cu 0.119953 0.341133 0.5 611 63.546 0.00127037 -3.53873 63.546000 Cu 0.108521 0.368459 0.5 612 63.546 0.00293689 -3.53753 63.546000 Cu 0.00996066 0.338368 0.5 578 63.546 0.000472981 -3.5405 63.546000 Cu 0.0476676 0.380834 1.11396e-16 606 63.546 0.00140117 -3.53881 63.546000 Cu 0.388753 0.363087 1.07495e-16 488 63.546 0.00444058 -3.54238 63.546000 Cu 0.339738 0.347645 0.5 489 63.546 0.0013074 -3.5411 63.546000 Cu 0.328296 0.375247 0.5 490 63.546 0.00391675 -3.5416 63.546000 Cu 0.230014 0.344229 0.5 616 63.546 0.00139775 -3.53813 63.546000 Cu 0.218714 0.371558 0.5 637 63.546 0.00502106 -3.53573 63.546000 Cu 0.279268 0.359666 2.45479e-16 639 63.546 0.000837153 -3.5396 63.546000 Cu 0.40028 0.335469 1.88941e-16 491 63.546 0.00141686 -3.54105 63.546000 Cu 0.509961 0.338368 6.66816e-17 492 63.546 0.000472981 -3.5405 63.546000 Cu 0.449292 0.350755 0.5 494 63.546 0.00221839 -3.54131 63.546000 Cu 0.43773 0.378377 0.5 525 63.546 0.00527978 -3.5421 63.546000 Cu 0.498416 0.365875 7.75451e-17 527 63.546 0.00101884 -3.5404 63.546000 Cu 0.559174 0.353436 0.5 529 63.546 0.000605601 -3.53926 63.546000 Cu 0.547668 0.380834 0.5 530 63.546 0.00140117 -3.53881 63.546000 Cu 0.608521 0.368459 1 528 63.546 0.00293689 -3.53753 63.546000 Cu 0.619953 0.341133 1.228e-16 531 63.546 0.00127037 -3.53873 63.546000 Cu 0.730014 0.344229 1.21839e-17 532 63.546 0.00139775 -3.53813 63.546000 Cu 0.669324 0.356266 0.5 534 63.546 0.00374704 -3.53708 63.546000 Cu 0.718714 0.371558 1 567 63.546 0.00502106 -3.53573 63.546000 Cu 0.779268 0.359666 0.5 569 63.546 0.000837153 -3.5396 63.546000 Cu 0.828296 0.375247 1 568 63.546 0.00391675 -3.5416 63.546000 Cu 0.839738 0.347645 1.2262e-16 571 63.546 0.0013074 -3.5411 63.546000 Cu 0.949292 0.350755 4.90899e-16 572 63.546 0.00221839 -3.54131 63.546000 Cu 0.90028 0.335469 0.5 573 63.546 0.00141686 -3.54105 63.546000 Cu 0.888753 0.363087 0.5 574 63.546 0.00444058 -3.54238 63.546000 Cu 0.93773 0.378377 1.06234e-16 605 63.546 0.00527978 -3.5421 63.546000 Cu 0.998416 0.365875 0.5 607 63.546 0.00101884 -3.5404 63.546000 Cu 0.0359871 0.408221 2.45539e-16 631 63.546 0.00309338 -3.53754 63.546000 Cu 0.146645 0.410604 3.7134e-16 632 63.546 0.0335694 -3.52815 63.546000 Cu 0.0970453 0.395713 0.5 633 63.546 0.00719811 -3.53559 63.546000 Cu 0.0852902 0.42287 0.5 634 63.546 0.0169313 -3.53293 63.546000 Cu 0.157997 0.383509 6.23002e-17 635 63.546 0.010553 -3.53426 63.546000 Cu 0.196332 0.42588 0.5 650 63.546 0.084038 -3.51818 63.546000 Cu 0.207567 0.398797 0.5 638 63.546 0.0195509 -3.53079 63.546000 Cu 0.316925 0.402969 0.5 330 63.546 0.012433 -3.54116 63.546000 Cu 0.365491 0.418719 2.4572e-16 522 63.546 0.0307957 -3.54057 63.546000 Cu 0.377216 0.390811 3.79323e-17 523 63.546 0.0122393 -3.54248 63.546000 Cu 0.268014 0.387161 1.2274e-16 636 63.546 0.00266979 -3.53911 63.546000 Cu 0.256824 0.414751 4.3334e-17 652 63.546 0.0117144 -3.53933 63.546000 Cu 0.486797 0.393422 2.4566e-16 524 63.546 0.00244084 -3.54037 63.546000 Cu 0.426014 0.406108 0.5 526 63.546 0.0123541 -3.54121 63.546000 Cu 0.474837 0.42104 1 559 63.546 0.005878 -3.53872 63.546000 Cu 0.58529 0.42287 2.40078e-19 560 63.546 0.0169313 -3.53293 63.546000 Cu 0.535987 0.408221 0.5 561 63.546 0.00309338 -3.53754 63.546000 Cu 0.597045 0.395713 1 563 63.546 0.00719811 -3.53559 63.546000 Cu 0.707567 0.398797 1 564 63.546 0.0195509 -3.53079 63.546000 Cu 0.657997 0.383509 0.5 565 63.546 0.010553 -3.53426 63.546000 Cu 0.646645 0.410604 0.5 566 63.546 0.0335694 -3.52815 63.546000 Cu 0.768014 0.387161 0.5 570 63.546 0.00266979 -3.53911 63.546000 Cu 0.696332 0.42588 1.20039e-19 597 63.546 0.084038 -3.51818 63.546000 Cu 0.756824 0.414751 0.5 599 63.546 0.0117144 -3.53933 63.546000 Cu 0.816925 0.402969 2.40078e-19 601 63.546 0.012433 -3.54116 63.546000 Cu 0.926014 0.406108 1 602 63.546 0.0123541 -3.54121 63.546000 Cu 0.877216 0.390811 0.5 603 63.546 0.0122393 -3.54248 63.546000 Cu 0.865491 0.418719 0.5 604 63.546 0.0307957 -3.54057 63.546000 Cu 0.986797 0.393422 0.5 608 63.546 0.00244084 -3.54037 63.546000 Cu 0.974837 0.42104 0.5 629 63.546 0.005878 -3.53872 63.546000 Cu 0.0237771 0.43563 1.20519e-16 628 63.546 0.00675781 -3.53569 63.546000 Cu 0.122553 0.464045 1.09115e-16 645 63.546 0.482308 -3.49297 63.546000 Cu 0.072852 0.449947 0.5 646 63.546 0.0355415 -3.53036 63.546000 Cu 0.135069 0.437487 1 648 63.546 0.115462 -3.52031 63.546000 Cu 0.185249 0.452639 0.5 651 63.546 0.507382 -3.47671 63.546000 Cu 0.0113138 0.463155 1 644 63.546 0.0222002 -3.53326 63.546000 Cu 0.293226 0.459578 0.5 16 63.546 0.222136 -3.52186 63.546000 Cu 0.23606 0.471897 1.61032e-16 34 63.546 5.7161 -3.47014 63.546000 Cu 0.30527 0.430948 0.5 326 63.546 0.0425254 -3.53812 63.546000 Cu 0.353424 0.447039 1 555 63.546 0.0772709 -3.53238 63.546000 Cu 0.245851 0.44268 1 649 63.546 0.0868753 -3.53165 63.546000 Cu 0.413836 0.43404 0.5 557 63.546 0.0269631 -3.53856 63.546000 Cu 0.401053 0.462418 0.5 558 63.546 0.0706821 -3.52665 63.546000 Cu 0.462257 0.448857 3.66119e-18 556 63.546 0.0142995 -3.53378 63.546000 Cu 0.523777 0.43563 0.5 562 63.546 0.00675781 -3.53569 63.546000 Cu 0.511314 0.463155 0.5 591 63.546 0.0222002 -3.53326 63.546000 Cu 0.572852 0.449947 1 593 63.546 0.0355415 -3.53036 63.546000 Cu 0.685249 0.452639 2.55683e-17 594 63.546 0.507382 -3.47671 63.546000 Cu 0.635069 0.437487 0.5 595 63.546 0.115462 -3.52031 63.546000 Cu 0.622553 0.464045 0.5 596 63.546 0.482308 -3.49297 63.546000 Cu 0.745851 0.44268 0.5 600 63.546 0.0868753 -3.53165 63.546000 Cu 0.73606 0.471897 0.5 621 63.546 5.7161 -3.47014 63.546000 Cu 0.793226 0.459578 6.00194e-20 623 63.546 0.222136 -3.52186 63.546000 Cu 0.80527 0.430948 6.00194e-20 598 63.546 0.0425254 -3.53812 63.546000 Cu 0.901053 0.462418 3.42711e-16 624 63.546 0.0706821 -3.52665 63.546000 Cu 0.853424 0.447039 0.5 625 63.546 0.0772709 -3.53238 63.546000 Cu 0.913836 0.43404 2.4566e-16 627 63.546 0.0269631 -3.53856 63.546000 Cu 0.962257 0.448857 0.5 630 63.546 0.0142995 -3.53378 63.546000 Cu 0.12221 0.517579 1 13 63.546 0.506632 -3.49249 63.546000 Cu 0.171429 0.503303 0.5 14 63.546 7.56787 -3.26674 63.546000 Cu 0.0609393 0.504476 0.5 15 63.546 0.125523 -3.53187 63.546000 Cu 0.0110178 0.518451 2.40078e-19 35 63.546 0.0260797 -3.53327 63.546000 Cu 0.171827 0.478345 0.5 60 63.546 7.55523 -3.27077 63.546000 Cu 0.114776 0.490801 5.80988e-17 323 63.546 3.27943 -3.48567 63.546000 Cu 0.0611846 0.477136 0.5 647 63.546 0.117508 -3.53227 63.546000 Cu 0.00386501 0.490808 1 642 63.546 0.153611 -3.54557 63.546000 Cu 0.340783 0.476334 1.228e-16 554 63.546 0.353788 -3.49599 63.546000 Cu 0.276767 0.490777 0.5 3 63.546 4.5819 -3.57765 63.546000 Cu 0.235832 0.509595 1.20039e-19 308 63.546 5.69421 -3.47077 63.546000 Cu 0.340643 0.505249 1.27961e-16 587 63.546 0.350917 -3.49577 63.546000 Cu 0.39175 0.490798 0.5 588 63.546 0.328384 -3.51778 63.546000 Cu 0.292835 0.521984 0.5 18 63.546 0.228557 -3.52265 63.546000 Cu 0.450835 0.47686 1.59172e-16 589 63.546 0.0872995 -3.52679 63.546000 Cu 0.560939 0.504476 1.45067e-16 1 63.546 0.125523 -3.53187 63.546000 Cu 0.450691 0.504761 4.0093e-17 4 63.546 0.0893662 -3.52683 63.546000 Cu 0.511018 0.518451 0.5 6 63.546 0.0260797 -3.53327 63.546000 Cu 0.400718 0.51919 0.5 7 63.546 0.0735077 -3.52709 63.546000 Cu 0.561185 0.477136 1.10436e-16 590 63.546 0.117508 -3.53227 63.546000 Cu 0.503865 0.490808 0.5 592 63.546 0.153611 -3.54557 63.546000 Cu 0.614776 0.490801 0.5 618 63.546 3.27943 -3.48567 63.546000 Cu 0.62221 0.517579 0.5 2 63.546 0.506632 -3.49249 63.546000 Cu 0.671429 0.503303 1 58 63.546 7.56787 -3.26674 63.546000 Cu 0.671827 0.478345 2.4566e-16 619 63.546 7.55523 -3.27077 63.546000 Cu 0.776767 0.490777 6.00194e-20 620 63.546 4.5819 -3.57765 63.546000 Cu 0.735832 0.509595 0.5 622 63.546 5.69421 -3.47077 63.546000 Cu 0.792835 0.521984 6.8122e-17 61 63.546 0.228557 -3.52265 63.546000 Cu 0.840783 0.476334 0.5 626 63.546 0.353788 -3.49599 63.546000 Cu 0.950835 0.47686 0.5 643 63.546 0.0872995 -3.52679 63.546000 Cu 0.900718 0.51919 1 32 63.546 0.0735077 -3.52709 63.546000 Cu 0.950691 0.504761 0.5 33 63.546 0.0893662 -3.52683 63.546000 Cu 0.840643 0.505249 0.5 640 63.546 0.350917 -3.49577 63.546000 Cu 0.89175 0.490798 2.45599e-16 641 63.546 0.328384 -3.51778 63.546000 Cu 0.184978 0.528972 0.5 19 63.546 0.532225 -3.47493 63.546000 Cu 0.0237792 0.545968 1 36 63.546 0.00714684 -3.53538 63.546000 Cu 0.0726216 0.531658 0.5 37 63.546 0.0367593 -3.52995 63.546000 Cu 0.135068 0.544109 1 39 63.546 0.11718 -3.51954 63.546000 Cu 0.147514 0.570969 1 40 63.546 0.0355287 -3.52747 63.546000 Cu 0.08575 0.558714 0.5 42 63.546 0.0166391 -3.53271 63.546000 Cu 0.196609 0.555698 0.5 41 63.546 0.0861407 -3.51778 63.546000 Cu 0.245692 0.538885 1 17 63.546 0.0912172 -3.53203 63.546000 Cu 0.353177 0.53454 3.60117e-18 20 63.546 0.0778253 -3.53193 63.546000 Cu 0.365913 0.562831 1.228e-16 21 63.546 0.0318477 -3.54088 63.546000 Cu 0.305335 0.550599 0.5 23 63.546 0.0452243 -3.53819 63.546000 Cu 0.25743 0.566792 3.03698e-17 43 63.546 0.0119351 -3.53993 63.546000 Cu 0.462035 0.532752 3.25966e-16 5 63.546 0.0148655 -3.53359 63.546000 Cu 0.572622 0.531658 1 8 63.546 0.0367593 -3.52995 63.546000 Cu 0.523779 0.545968 0.5 11 63.546 0.00714684 -3.53538 63.546000 Cu 0.413827 0.547535 0.5 22 63.546 0.0273061 -3.53819 63.546000 Cu 0.475281 0.560546 1 24 63.546 0.00540112 -3.53852 63.546000 Cu 0.58575 0.558714 1.228e-16 9 63.546 0.0166391 -3.53271 63.546000 Cu 0.635068 0.544109 0.5 10 63.546 0.11718 -3.51954 63.546000 Cu 0.647514 0.570969 0.5 12 63.546 0.0355287 -3.52747 63.546000 Cu 0.684978 0.528972 1.8672e-16 59 63.546 0.532225 -3.47493 63.546000 Cu 0.745692 0.538885 0.5 64 63.546 0.0912172 -3.53203 63.546000 Cu 0.696609 0.555698 1.57011e-16 92 63.546 0.0861407 -3.51778 63.546000 Cu 0.75743 0.566792 0.5 94 63.546 0.0119351 -3.53993 63.546000 Cu 0.962035 0.532752 0.5 38 63.546 0.0148655 -3.53359 63.546000 Cu 0.805335 0.550599 1 62 63.546 0.0452243 -3.53819 63.546000 Cu 0.853177 0.53454 0.5 63 63.546 0.0778253 -3.53193 63.546000 Cu 0.913827 0.547535 1.42546e-16 65 63.546 0.0273061 -3.53819 63.546000 Cu 0.975281 0.560546 0.5 67 63.546 0.00540112 -3.53852 63.546000 Cu 0.865913 0.562831 0.5 68 63.546 0.0318477 -3.54088 63.546000 Cu 0.0369346 0.573345 1.228e-16 69 63.546 0.00305263 -3.53718 63.546000 Cu 0.0500684 0.600691 1 70 63.546 0.00135235 -3.5382 63.546000 Cu 0.0986605 0.585843 0.5 71 63.546 0.00777519 -3.53518 63.546000 Cu 0.160297 0.598013 0 73 63.546 0.0113096 -3.53391 63.546000 Cu 0.111642 0.613044 0.5 76 63.546 0.00326618 -3.53714 63.546000 Cu 0.00158067 0.615628 0.5 101 63.546 0.00094915 -3.54004 63.546000 Cu 0.270017 0.594333 1 44 63.546 0.00244573 -3.53972 63.546000 Cu 0.318095 0.578544 0.5 45 63.546 0.0137974 -3.54151 63.546000 Cu 0.208995 0.582725 0.5 46 63.546 0.0186085 -3.53065 63.546000 Cu 0.379004 0.590705 1 47 63.546 0.0125406 -3.54213 63.546000 Cu 0.330985 0.606214 0.5 50 63.546 0.00516159 -3.5416 63.546000 Cu 0.221654 0.609924 0.5 75 63.546 0.00519105 -3.53588 63.546000 Cu 0.392 0.618388 2.18171e-16 48 63.546 0.00443328 -3.54204 63.546000 Cu 0.48849 0.588139 1 25 63.546 0.00210413 -3.53986 63.546000 Cu 0.536935 0.573345 0.5 26 63.546 0.00305263 -3.53718 63.546000 Cu 0.427011 0.575445 0.5 27 63.546 0.0120779 -3.54111 63.546000 Cu 0.550068 0.600691 0.5 31 63.546 0.00135235 -3.5382 63.546000 Cu 0.440187 0.603142 0.5 49 63.546 0.00482259 -3.54156 63.546000 Cu 0.501581 0.615628 7.04028e-17 51 63.546 0.00094915 -3.54004 63.546000 Cu 0.59866 0.585843 1.228e-16 28 63.546 0.00777519 -3.53518 63.546000 Cu 0.611642 0.613044 2.06767e-16 29 63.546 0.00326618 -3.53714 63.546000 Cu 0.660297 0.598013 0.5 30 63.546 0.0113096 -3.53391 63.546000 Cu 0.708995 0.582725 2.11208e-16 93 63.546 0.0186085 -3.53065 63.546000 Cu 0.770017 0.594333 0.5 98 63.546 0.00244573 -3.53972 63.546000 Cu 0.721654 0.609924 1.34744e-16 124 63.546 0.00519105 -3.53588 63.546000 Cu 0.98849 0.588139 0.5 72 63.546 0.00210413 -3.53986 63.546000 Cu 0.927011 0.575445 1 66 63.546 0.0120779 -3.54111 63.546000 Cu 0.818095 0.578544 9.50108e-17 95 63.546 0.0137974 -3.54151 63.546000 Cu 0.830985 0.606214 1 96 63.546 0.00516159 -3.5416 63.546000 Cu 0.879004 0.590705 0.5 97 63.546 0.0125406 -3.54213 63.546000 Cu 0.940187 0.603142 1 99 63.546 0.00482259 -3.54156 63.546000 Cu 0.892 0.618388 0.5 102 63.546 0.00443328 -3.54204 63.546000 Cu 0.173078 0.625199 1.21839e-17 74 63.546 0.00398891 -3.53662 63.546000 Cu 0.0630362 0.62803 7.82653e-17 103 63.546 0.00065341 -3.53908 63.546000 Cu 0.0756047 0.655403 1.21839e-17 104 63.546 0.000432553 -3.5398 63.546000 Cu 0.124376 0.640316 0.5 105 63.546 0.00138039 -3.53841 63.546000 Cu 0.0144343 0.643088 0.5 106 63.546 0.000427234 -3.54017 63.546000 Cu 0.185571 0.652475 2.79811e-16 107 63.546 0.0014813 -3.53828 63.546000 Cu 0.282764 0.621777 1 77 63.546 0.000885613 -3.53974 63.546000 Cu 0.295302 0.649209 1 78 63.546 0.000461762 -3.5395 63.546000 Cu 0.343758 0.633783 0.5 79 63.546 0.00172517 -3.54123 63.546000 Cu 0.234286 0.637216 0.5 80 63.546 0.00181488 -3.538 63.546000 Cu 0.356177 0.661283 0.5 84 63.546 0.000813115 -3.5407 63.546000 Cu 0.246574 0.664565 0.5 109 63.546 0.00095872 -3.53875 63.546000 Cu 0.514434 0.643088 1.15177e-16 52 63.546 0.000427234 -3.54017 63.546000 Cu 0.563036 0.62803 0.5 53 63.546 0.00065341 -3.53908 63.546000 Cu 0.45325 0.630712 0.5 54 63.546 0.00198313 -3.54113 63.546000 Cu 0.575605 0.655403 0.5 57 63.546 0.000432553 -3.5398 63.546000 Cu 0.404777 0.645945 1 81 63.546 0.00205058 -3.54144 63.546000 Cu 0.465786 0.65822 0.5 83 63.546 0.000966334 -3.54088 63.546000 Cu 0.624376 0.640316 4.55607e-16 55 63.546 0.00138039 -3.53841 63.546000 Cu 0.734286 0.637216 2.7825e-16 125 63.546 0.00181488 -3.538 63.546000 Cu 0.782764 0.621777 0.5 126 63.546 0.000885613 -3.53974 63.546000 Cu 0.673078 0.625199 0.5 127 63.546 0.00398891 -3.53662 63.546000 Cu 0.685571 0.652475 0.5 157 63.546 0.0014813 -3.53828 63.546000 Cu 0.746574 0.664565 2.39417e-16 158 63.546 0.00095872 -3.53875 63.546000 Cu 0.795302 0.649209 0.5 131 63.546 0.000461762 -3.5395 63.546000 Cu 0.95325 0.630712 1.82339e-16 100 63.546 0.00198313 -3.54113 63.546000 Cu 0.843758 0.633783 1.05694e-16 128 63.546 0.00172517 -3.54123 63.546000 Cu 0.856177 0.661283 1.2256e-16 129 63.546 0.000813115 -3.5407 63.546000 Cu 0.904777 0.645945 0.5 130 63.546 0.00205058 -3.54144 63.546000 Cu 0.965786 0.65822 2.45419e-16 132 63.546 0.000966334 -3.54088 63.546000 Cu 0.136675 0.667646 0.5 110 63.546 0.000707986 -3.53903 63.546000 Cu 0.0267433 0.670535 0.5 134 63.546 0.000289742 -3.54052 63.546000 Cu 0.0876191 0.6828 2.52142e-16 136 63.546 0.000265508 -3.53994 63.546000 Cu 0.0991365 0.71023 1.80058e-19 137 63.546 0.00012285 -3.53974 63.546000 Cu 0.148361 0.695021 0.5 138 63.546 0.000192545 -3.53947 63.546000 Cu 0.0384913 0.69798 0.5 139 63.546 5.96437e-05 -3.54038 63.546000 Cu 0.197517 0.679817 2.68047e-16 108 63.546 0.000544922 -3.53898 63.546000 Cu 0.307355 0.676634 1.5413e-16 111 63.546 0.000319225 -3.53991 63.546000 Cu 0.318931 0.704072 0 112 63.546 5.70152e-05 -3.54009 63.546000 Cu 0.36804 0.688766 0.5 113 63.546 0.000220893 -3.54048 63.546000 Cu 0.258269 0.691948 0.5 114 63.546 0.000238796 -3.53954 63.546000 Cu 0.209033 0.707204 1 140 63.546 0.000141288 -3.53942 63.546000 Cu 0.417004 0.673459 6.00194e-20 82 63.546 0.000907841 -3.54098 63.546000 Cu 0.526743 0.670535 2.45479e-16 85 63.546 0.000289742 -3.54052 63.546000 Cu 0.538491 0.69798 1.88221e-16 86 63.546 5.96437e-05 -3.54038 63.546000 Cu 0.477755 0.685704 0.5 88 63.546 0.000377908 -3.54052 63.546000 Cu 0.428699 0.700935 6.00194e-20 115 63.546 0.000439622 -3.54023 63.546000 Cu 0.489365 0.713176 0.5 117 63.546 0.000127735 -3.54032 63.546000 Cu 0.587619 0.6828 0.5 87 63.546 0.000265508 -3.53994 63.546000 Cu 0.599137 0.71023 0.5 91 63.546 0.00012285 -3.53974 63.546000 Cu 0.636675 0.667646 1.57131e-16 56 63.546 0.000707986 -3.53903 63.546000 Cu 0.648361 0.695021 1.49028e-16 89 63.546 0.000192545 -3.53947 63.546000 Cu 0.758269 0.691948 1 159 63.546 0.000238796 -3.53954 63.546000 Cu 0.697517 0.679817 0.5 161 63.546 0.000544922 -3.53898 63.546000 Cu 0.709033 0.707204 0.5 190 63.546 0.000141288 -3.53942 63.546000 Cu 0.989365 0.713176 1 166 63.546 0.000127735 -3.54032 63.546000 Cu 0.977755 0.685704 4.61129e-16 133 63.546 0.000377908 -3.54052 63.546000 Cu 0.917004 0.673459 0.5 135 63.546 0.000907841 -3.54098 63.546000 Cu 0.807355 0.676634 0.5 160 63.546 0.000319225 -3.53991 63.546000 Cu 0.86804 0.688766 1.36544e-16 162 63.546 0.000220893 -3.54048 63.546000 Cu 0.928699 0.700935 0.5 164 63.546 0.000439622 -3.54023 63.546000 Cu 0.818931 0.704072 0.5 165 63.546 5.70152e-05 -3.54009 63.546000 Cu 0.159793 0.722431 0.5 143 63.546 0.000143797 -3.53956 63.546000 Cu 0.000902487 0.740662 1.2292e-16 167 63.546 6.11639e-06 -3.54078 63.546000 Cu 0.0500107 0.725447 0.5 168 63.546 6.53881e-05 -3.54014 63.546000 Cu 0.110731 0.737673 1 170 63.546 0.000121176 -3.54007 63.546000 Cu 0.171385 0.749858 0.5 172 63.546 3.36668e-05 -3.53987 63.546000 Cu 0.0615462 0.752919 0.5 173 63.546 0.000138203 -3.54049 63.546000 Cu 0.37963 0.716221 0.5 118 63.546 0.00013283 -3.54014 63.546000 Cu 0.220573 0.7346 1.80058e-19 141 63.546 2.39378e-05 -3.53953 63.546000 Cu 0.269726 0.719344 0.5 142 63.546 2.9716e-05 -3.53971 63.546000 Cu 0.330424 0.731495 1 144 63.546 1.73419e-05 -3.5401 63.546000 Cu 0.342008 0.758929 1.80058e-19 145 63.546 7.09783e-05 -3.53951 63.546000 Cu 0.281246 0.746767 0.5 147 63.546 3.17939e-05 -3.53952 63.546000 Cu 0.391094 0.743668 0.5 146 63.546 0.000127315 -3.54019 63.546000 Cu 0.440247 0.728409 1.13197e-16 116 63.546 0.00022417 -3.54025 63.546000 Cu 0.550011 0.725447 1 119 63.546 6.53881e-05 -3.54014 63.546000 Cu 0.561546 0.752919 2.04906e-16 120 63.546 0.000138203 -3.54049 63.546000 Cu 0.500902 0.740662 0.5 122 63.546 6.11639e-06 -3.54078 63.546000 Cu 0.451806 0.755885 3.75121e-17 148 63.546 0.000127593 -3.54063 63.546000 Cu 0.659793 0.722431 1 90 63.546 0.000143797 -3.53956 63.546000 Cu 0.610731 0.737673 0.5 121 63.546 0.000121176 -3.54007 63.546000 Cu 0.769726 0.719344 1.80058e-19 191 63.546 2.9716e-05 -3.53971 63.546000 Cu 0.781246 0.746767 1 192 63.546 3.17939e-05 -3.53952 63.546000 Cu 0.720573 0.7346 0.5 194 63.546 2.39378e-05 -3.53953 63.546000 Cu 0.671385 0.749858 1 222 63.546 3.36668e-05 -3.53987 63.546000 Cu 0.87963 0.716221 7.23834e-17 163 63.546 0.00013283 -3.54014 63.546000 Cu 0.940247 0.728409 0.5 169 63.546 0.00022417 -3.54025 63.546000 Cu 0.830424 0.731495 0.5 193 63.546 1.73419e-05 -3.5401 63.546000 Cu 0.891094 0.743668 9.8792e-17 195 63.546 0.000127315 -3.54019 63.546000 Cu 0.951806 0.755885 0.5 197 63.546 0.000127593 -3.54063 63.546000 Cu 0.842008 0.758929 0.5 198 63.546 7.09783e-05 -3.53951 63.546000 Cu 0.122207 0.765127 2.95296e-17 171 63.546 0.000177842 -3.54023 63.546000 Cu 0.182938 0.77728 0.5 177 63.546 8.95896e-05 -3.53984 63.546000 Cu 0.012453 0.768163 1.80058e-19 199 63.546 0.000132994 -3.54062 63.546000 Cu 0.0242033 0.795656 3.12101e-17 200 63.546 0.000364684 -3.54064 63.546000 Cu 0.0731843 0.780401 0.5 201 63.546 0.000240915 -3.54033 63.546000 Cu 0.133915 0.792589 1 203 63.546 0.000168277 -3.54037 63.546000 Cu 0.0849932 0.807899 0.5 206 63.546 0.000542713 -3.5407 63.546000 Cu 0.194635 0.804736 0.5 205 63.546 0.00014511 -3.54005 63.546000 Cu 0.232105 0.762011 1.80058e-19 174 63.546 2.2904e-05 -3.53929 63.546000 Cu 0.243632 0.78941 1.2298e-16 175 63.546 0.000301075 -3.53939 63.546000 Cu 0.292817 0.774162 0.5 176 63.546 6.37688e-05 -3.53904 63.546000 Cu 0.353554 0.786338 1 178 63.546 0.000167412 -3.53908 63.546000 Cu 0.30442 0.80155 0.5 181 63.546 0.000456494 -3.53876 63.546000 Cu 0.46343 0.783379 2.49681e-16 149 63.546 7.77306e-05 -3.5406 63.546000 Cu 0.512453 0.768163 0.5 150 63.546 0.000132994 -3.54062 63.546000 Cu 0.402688 0.77112 0.5 151 63.546 0.00016261 -3.53984 63.546000 Cu 0.573184 0.780401 2.75489e-17 152 63.546 0.000240915 -3.54033 63.546000 Cu 0.524203 0.795656 0.5 155 63.546 0.000364684 -3.54064 63.546000 Cu 0.414336 0.798551 0.5 180 63.546 0.00027658 -3.53994 63.546000 Cu 0.584993 0.807899 1.79038e-16 153 63.546 0.000542713 -3.5407 63.546000 Cu 0.622207 0.765127 0.5 123 63.546 0.000177842 -3.54023 63.546000 Cu 0.633915 0.792589 0.5 154 63.546 0.000168277 -3.54037 63.546000 Cu 0.682938 0.77728 8.22266e-18 223 63.546 8.95896e-05 -3.53984 63.546000 Cu 0.732105 0.762011 0.5 224 63.546 2.2904e-05 -3.53929 63.546000 Cu 0.743632 0.78941 0.5 228 63.546 0.000301075 -3.53939 63.546000 Cu 0.694635 0.804736 1.34383e-16 256 63.546 0.00014511 -3.54005 63.546000 Cu 0.792817 0.774162 3.19423e-16 225 63.546 6.37688e-05 -3.53904 63.546000 Cu 0.902688 0.77112 2.50281e-16 196 63.546 0.00016261 -3.53984 63.546000 Cu 0.96343 0.783379 0.5 202 63.546 7.77306e-05 -3.5406 63.546000 Cu 0.80442 0.80155 8.36071e-17 226 63.546 0.000456494 -3.53876 63.546000 Cu 0.853554 0.786338 0.5 227 63.546 0.000167412 -3.53908 63.546000 Cu 0.914336 0.798551 3.18703e-17 229 63.546 0.00027658 -3.53994 63.546000 Cu 0.145759 0.820089 1 204 63.546 0.00057454 -3.54074 63.546000 Cu 0.0361197 0.823152 1 233 63.546 0.000761755 -3.54096 63.546000 Cu 0.0484874 0.850691 1 234 63.546 0.00183543 -3.54117 63.546000 Cu 0.0970491 0.835429 0.5 235 63.546 0.00136616 -3.54141 63.546000 Cu 0.15794 0.847622 1.8546e-16 237 63.546 0.00160313 -3.5409 63.546000 Cu 0.365299 0.813721 1.41946e-16 179 63.546 0.000660257 -3.53904 63.546000 Cu 0.255401 0.816819 1 207 63.546 0.000618632 -3.53927 63.546000 Cu 0.267463 0.84421 4.79855e-16 208 63.546 0.00141836 -3.53782 63.546000 Cu 0.316315 0.828912 0.5 209 63.546 0.00158521 -3.53861 63.546000 Cu 0.20656 0.832203 0.5 210 63.546 0.00043208 -3.53982 63.546000 Cu 0.377407 0.841083 7.79052e-17 211 63.546 0.00160827 -3.53851 63.546000 Cu 0.328621 0.85622 0.5 214 63.546 0.00397267 -3.53654 63.546000 Cu 0.475235 0.810849 4.15214e-16 182 63.546 0.000191734 -3.54069 63.546000 Cu 0.487352 0.838323 1.89001e-16 183 63.546 0.000587136 -3.54013 63.546000 Cu 0.53612 0.823152 0.5 184 63.546 0.000761755 -3.54096 63.546000 Cu 0.426277 0.825979 0.5 185 63.546 0.000390702 -3.53993 63.546000 Cu 0.548487 0.850691 0.5 189 63.546 0.00183543 -3.54117 63.546000 Cu 0.438693 0.853378 0.5 213 63.546 0.000609622 -3.53862 63.546000 Cu 0.597049 0.835429 2.71768e-16 186 63.546 0.00136616 -3.54141 63.546000 Cu 0.645759 0.820089 0.5 156 63.546 0.00057454 -3.54074 63.546000 Cu 0.65794 0.847622 0.5 188 63.546 0.00160313 -3.5409 63.546000 Cu 0.70656 0.832203 2.45479e-16 257 63.546 0.00043208 -3.53982 63.546000 Cu 0.755401 0.816819 0.5 258 63.546 0.000618632 -3.53927 63.546000 Cu 0.767463 0.84421 0.5 262 63.546 0.00141836 -3.53782 63.546000 Cu 0.987352 0.838323 0.5 236 63.546 0.000587136 -3.54013 63.546000 Cu 0.926277 0.825979 2.1607e-18 230 63.546 0.000390702 -3.53993 63.546000 Cu 0.975235 0.810849 0.5 231 63.546 0.000191734 -3.54069 63.546000 Cu 0.865299 0.813721 0.5 232 63.546 0.000660257 -3.53904 63.546000 Cu 0.816315 0.828912 2.4566e-16 259 63.546 0.00158521 -3.53861 63.546000 Cu 0.828621 0.85622 2.60064e-16 260 63.546 0.00397267 -3.53654 63.546000 Cu 0.877407 0.841083 0.5 261 63.546 0.00160827 -3.53851 63.546000 Cu 0.938693 0.853378 1 263 63.546 0.000609622 -3.53862 63.546000 Cu 0.17037 0.875227 1 238 63.546 0.00489265 -3.5419 63.546000 Cu 0.109549 0.863037 0.5 240 63.546 0.00424723 -3.54222 63.546000 Cu 0.0611434 0.878322 3.00097e-19 267 63.546 0.00535075 -3.54188 63.546000 Cu 0.122008 0.890777 0.5 269 63.546 0.0126698 -3.54269 63.546000 Cu 0.0125445 0.893357 0.5 270 63.546 0.00250451 -3.54026 63.546000 Cu 0.182639 0.90295 1 271 63.546 0.0140982 -3.54143 63.546000 Cu 0.218876 0.859652 0.5 239 63.546 0.000902127 -3.53945 63.546000 Cu 0.279858 0.871517 1 241 63.546 0.00487502 -3.5356 63.546000 Cu 0.291899 0.898733 1 242 63.546 0.019623 -3.53119 63.546000 Cu 0.341021 0.88343 0.5 243 63.546 0.0117288 -3.53415 63.546000 Cu 0.231098 0.887127 0.5 244 63.546 0.0028912 -3.53959 63.546000 Cu 0.389932 0.868378 1.2274e-16 212 63.546 0.00367018 -3.53688 63.546000 Cu 0.499984 0.865802 3.68219e-16 215 63.546 0.00111165 -3.54013 63.546000 Cu 0.512545 0.893357 6.00194e-20 216 63.546 0.00250451 -3.54026 63.546000 Cu 0.561143 0.878322 0.5 217 63.546 0.00535075 -3.54188 63.546000 Cu 0.451278 0.880759 0.5 218 63.546 0.00160947 -3.53867 63.546000 Cu 0.402322 0.895618 5.65383e-17 245 63.546 0.00858234 -3.53605 63.546000 Cu 0.609549 0.863037 2.19071e-16 187 63.546 0.00424723 -3.54222 63.546000 Cu 0.622008 0.890777 1 219 63.546 0.0126698 -3.54269 63.546000 Cu 0.718876 0.859652 1 286 63.546 0.000902127 -3.53945 63.546000 Cu 0.731098 0.887127 2.40078e-19 287 63.546 0.0028912 -3.53959 63.546000 Cu 0.779858 0.871517 0.5 288 63.546 0.00487502 -3.5356 63.546000 Cu 0.67037 0.875227 0.5 289 63.546 0.00489265 -3.5419 63.546000 Cu 0.682639 0.90295 0.5 309 63.546 0.0140982 -3.54143 63.546000 Cu 0.791899 0.898733 0.5 293 63.546 0.019623 -3.53119 63.546000 Cu 0.999984 0.865802 0.5 265 63.546 0.00111165 -3.54013 63.546000 Cu 0.951278 0.880759 2.40078e-19 264 63.546 0.00160947 -3.53867 63.546000 Cu 0.889932 0.868378 0.5 266 63.546 0.00367018 -3.53688 63.546000 Cu 0.841021 0.88343 1 290 63.546 0.0117288 -3.53415 63.546000 Cu 0.902322 0.895618 0.5 292 63.546 0.00858234 -3.53605 63.546000 Cu 0.07364 0.90608 2.40078e-19 268 63.546 0.0131474 -3.54108 63.546000 Cu 0.134411 0.91871 0.5 274 63.546 0.0343182 -3.54053 63.546000 Cu 0.0250959 0.920987 0.5 296 63.546 0.00564424 -3.53844 63.546000 Cu 0.0862659 0.93402 5.40775e-17 298 63.546 0.028348 -3.53817 63.546000 Cu 0.146811 0.947019 0.5 300 63.546 0.0817779 -3.53208 63.546000 Cu 0.0379355 0.948816 0.5 301 63.546 0.014373 -3.53345 63.546000 Cu 0.194799 0.930913 1 272 63.546 0.0433112 -3.53787 63.546000 Cu 0.353097 0.910532 0.5 248 63.546 0.0339895 -3.52841 63.546000 Cu 0.242987 0.914692 0.5 273 63.546 0.0112296 -3.53933 63.546000 Cu 0.303668 0.925805 1 275 63.546 0.0856068 -3.5184 63.546000 Cu 0.36504 0.93741 0.5 277 63.546 0.116935 -3.51984 63.546000 Cu 0.254366 0.942604 0.5 278 63.546 0.0838273 -3.53155 63.546000 Cu 0.57364 0.90608 0.5 221 63.546 0.0131474 -3.54108 63.546000 Cu 0.414597 0.922795 3.103e-16 246 63.546 0.0174377 -3.53283 63.546000 Cu 0.463711 0.908161 0.5 247 63.546 0.00295304 -3.53779 63.546000 Cu 0.525096 0.920987 2.44939e-16 249 63.546 0.00564424 -3.53844 63.546000 Cu 0.537936 0.948816 1.17638e-16 250 63.546 0.014373 -3.53345 63.546000 Cu 0.476308 0.935572 0.5 252 63.546 0.00686586 -3.53571 63.546000 Cu 0.427312 0.949879 1 279 63.546 0.0363639 -3.53051 63.546000 Cu 0.586266 0.93402 0.5 251 63.546 0.028348 -3.53817 63.546000 Cu 0.634411 0.91871 3.91327e-17 220 63.546 0.0343182 -3.54053 63.546000 Cu 0.646811 0.947019 2.41878e-17 253 63.546 0.0817779 -3.53208 63.546000 Cu 0.742987 0.914692 4.97561e-17 310 63.546 0.0112296 -3.53933 63.546000 Cu 0.754366 0.942604 1.20039e-19 311 63.546 0.0838273 -3.53155 63.546000 Cu 0.694799 0.930913 0.5 313 63.546 0.0433112 -3.53787 63.546000 Cu 0.853097 0.910532 1 291 63.546 0.0339895 -3.52841 63.546000 Cu 0.963711 0.908161 1 294 63.546 0.00295304 -3.53779 63.546000 Cu 0.976308 0.935572 1.03954e-16 295 63.546 0.00686586 -3.53571 63.546000 Cu 0.914597 0.922795 0.5 297 63.546 0.0174377 -3.53283 63.546000 Cu 0.803668 0.925805 0.5 312 63.546 0.0856068 -3.5184 63.546000 Cu 0.86504 0.93741 1.20039e-19 314 63.546 0.116935 -3.51984 63.546000 Cu 0.927312 0.949879 0.5 316 63.546 0.0363639 -3.53051 63.546000 Cu 0.0991945 0.962379 1 299 63.546 0.0720249 -3.52659 63.546000 Cu 0.159464 0.97628 0.5 305 63.546 0.353675 -3.49641 63.546000 Cu 0.04936 0.976827 0.5 320 63.546 0.0880321 -3.52692 63.546000 Cu 0.108444 0.990761 8.57077e-17 322 63.546 0.333205 -3.51719 63.546000 Cu 0.314957 0.952566 1.80058e-19 276 63.546 0.510807 -3.47652 63.546000 Cu 0.37771 0.963971 0.5 282 63.546 0.491472 -3.49308 63.546000 Cu 0.207121 0.959509 1.30542e-16 302 63.546 0.221684 -3.52176 63.546000 Cu 0.22351 0.990723 1.13077e-16 303 63.546 4.6213 -3.57694 63.546000 Cu 0.264246 0.971842 0.5 304 63.546 5.72354 -3.47013 63.546000 Cu 0.328499 0.978265 2.40078e-19 306 63.546 7.56295 -3.27044 63.546000 Cu 0.385345 0.99076 0.5 307 63.546 3.29782 -3.4865 63.546000 Cu 0.439026 0.9771 1.228e-16 280 63.546 0.119253 -3.53267 63.546000 Cu 0.488931 0.963106 0.5 281 63.546 0.0238165 -3.53366 63.546000 Cu 0.54936 0.976827 2.81671e-16 283 63.546 0.0880321 -3.52692 63.546000 Cu 0.496282 0.990782 0.5 285 63.546 0.153746 -3.54568 63.546000 Cu 0.599195 0.962379 0.5 255 63.546 0.0720249 -3.52659 63.546000 Cu 0.659464 0.97628 6.00194e-20 254 63.546 0.353675 -3.49641 63.546000 Cu 0.608444 0.990761 0.5 284 63.546 0.333205 -3.51719 63.546000 Cu 0.707121 0.959509 0.5 324 63.546 0.221684 -3.52176 63.546000 Cu 0.764246 0.971842 3.24765e-16 325 63.546 5.72354 -3.47013 63.546000 Cu 0.72351 0.990723 0.5 328 63.546 4.6213 -3.57694 63.546000 Cu 0.988931 0.963106 1.20039e-19 318 63.546 0.0238165 -3.53366 63.546000 Cu 0.996282 0.990782 2.10068e-17 319 63.546 0.153746 -3.54568 63.546000 Cu 0.87771 0.963971 1 315 63.546 0.491472 -3.49308 63.546000 Cu 0.814957 0.952566 0.5 317 63.546 0.510807 -3.47652 63.546000 Cu 0.939026 0.9771 0.5 321 63.546 0.119253 -3.53267 63.546000 Cu 0.828499 0.978265 0.5 327 63.546 7.56295 -3.27044 63.546000 Cu 0.885345 0.99076 1 329 63.546 3.29782 -3.4865