Number of particles = 654 A = 1 Angstrom (basic length-scale) H0(1,1) = 23.1061 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 92.5964 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61978 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 0.0313206 0.0331294 1.39817e-16 338 63.546 0.0267293 -3.53721 63.546000 Cu 0.0441493 0.00507639 7.18852e-18 341 63.546 0.0574114 -3.52607 63.546000 Cu 0.152714 0.00758166 6.52958e-17 342 63.546 0.275389 -3.51538 63.546000 Cu 0.092169 0.0200964 0.5 343 63.546 0.0947914 -3.53356 63.546000 Cu 0.139956 0.0360414 1 355 63.546 0.0623279 -3.54008 63.546000 Cu 0.199461 0.0245133 0.5 357 63.546 0.0861531 -3.52101 63.546000 Cu 0.248406 0.0413169 1.22684e-16 356 63.546 0.0883138 -3.51842 63.546000 Cu 0.260022 0.0148847 4.79235e-19 359 63.546 0.520684 -3.46888 63.546000 Cu 0.371964 0.0174804 1 360 63.546 0.0302284 -3.53307 63.546000 Cu 0.322465 0.00352604 0.5 361 63.546 0.443496 -3.4996 63.546000 Cu 0.309862 0.0299002 0.5 362 63.546 0.134355 -3.52315 63.546000 Cu 0.359436 0.044431 1 381 63.546 0.0219619 -3.53516 63.546000 Cu 0.43371 0.00440273 0.5 363 63.546 0.0267176 -3.53324 63.546000 Cu 0.421158 0.0316924 0.5 383 63.546 0.00588952 -3.53622 63.546000 Cu 0.482793 0.0185379 1 385 63.546 0.00996291 -3.53258 63.546000 Cu 0.592169 0.0200964 1 386 63.546 0.0947914 -3.53356 63.546000 Cu 0.544149 0.00507639 0.5 387 63.546 0.0574114 -3.52607 63.546000 Cu 0.531321 0.0331294 0.5 388 63.546 0.0267293 -3.53721 63.546000 Cu 0.652714 0.00758166 0.5 389 63.546 0.275389 -3.51538 63.546000 Cu 0.639956 0.0360414 0.5 417 63.546 0.0623279 -3.54008 63.546000 Cu 0.699461 0.0245133 2.38419e-16 419 63.546 0.0861531 -3.52101 63.546000 Cu 0.760022 0.0148847 0.5 421 63.546 0.520684 -3.46888 63.546000 Cu 0.748406 0.0413169 0.5 422 63.546 0.0883138 -3.51842 63.546000 Cu 0.809862 0.0299002 2.4429e-16 420 63.546 0.134355 -3.52315 63.546000 Cu 0.822465 0.00352604 1 331 63.546 0.443496 -3.4996 63.546000 Cu 0.93371 0.00440273 5.91855e-17 332 63.546 0.0267176 -3.53324 63.546000 Cu 0.871964 0.0174804 0.5 333 63.546 0.0302284 -3.53307 63.546000 Cu 0.859436 0.044431 0.5 335 63.546 0.0219619 -3.53516 63.546000 Cu 0.921158 0.0316924 3.76199e-17 337 63.546 0.00588952 -3.53622 63.546000 Cu 0.982793 0.0185379 0.5 339 63.546 0.00996291 -3.53258 63.546000 Cu 0.0185981 0.0609748 1.48203e-16 351 63.546 0.0132432 -3.54031 63.546000 Cu 0.12763 0.0640183 7.18852e-18 352 63.546 0.0181061 -3.54143 63.546000 Cu 0.0794765 0.0483173 0.5 353 63.546 0.0368786 -3.54123 63.546000 Cu 0.0670255 0.0762174 0.5 354 63.546 0.0138666 -3.54191 63.546000 Cu 0.187907 0.0522989 0.5 358 63.546 0.0140427 -3.53667 63.546000 Cu 0.176035 0.079861 0.5 375 63.546 0.00333167 -3.53903 63.546000 Cu 0.00618045 0.0886837 3.75001e-17 348 63.546 0.00548172 -3.54106 63.546000 Cu 0.236682 0.068299 1 377 63.546 0.0194669 -3.53296 63.546000 Cu 0.347148 0.0714991 3.08028e-16 378 63.546 0.011444 -3.53652 63.546000 Cu 0.297847 0.0566392 0.5 379 63.546 0.0443657 -3.53143 63.546000 Cu 0.285854 0.0836457 0.5 380 63.546 0.0149818 -3.53553 63.546000 Cu 0.396251 0.086282 0.5 409 63.546 0.00162831 -3.53862 63.546000 Cu 0.408583 0.0589771 0.5 384 63.546 0.00343281 -3.53746 63.546000 Cu 0.470037 0.0461506 3.59426e-19 382 63.546 0.00558858 -3.53756 63.546000 Cu 0.45748 0.0736888 1 411 63.546 0.00303739 -3.5394 63.546000 Cu 0.567025 0.0762174 1.40536e-16 412 63.546 0.0138666 -3.54191 63.546000 Cu 0.518598 0.0609748 0.5 413 63.546 0.0132432 -3.54031 63.546000 Cu 0.50618 0.0886837 0.5 414 63.546 0.00548172 -3.54106 63.546000 Cu 0.579476 0.0483173 7.18852e-18 415 63.546 0.0368786 -3.54123 63.546000 Cu 0.687907 0.0522989 1.34785e-16 416 63.546 0.0140427 -3.53667 63.546000 Cu 0.62763 0.0640183 0.5 418 63.546 0.0181061 -3.54143 63.546000 Cu 0.676035 0.079861 1.52636e-16 451 63.546 0.00333167 -3.53903 63.546000 Cu 0.785854 0.0836457 6.14619e-17 452 63.546 0.0149818 -3.53553 63.546000 Cu 0.736682 0.068299 0.5 453 63.546 0.0194669 -3.53296 63.546000 Cu 0.797847 0.0566392 6.08628e-17 455 63.546 0.0443657 -3.53143 63.546000 Cu 0.908583 0.0589771 1.22085e-16 334 63.546 0.00343281 -3.53746 63.546000 Cu 0.847148 0.0714991 0.5 336 63.546 0.011444 -3.53652 63.546000 Cu 0.970037 0.0461506 0.5 340 63.546 0.00558858 -3.53756 63.546000 Cu 0.896251 0.086282 0 347 63.546 0.00162831 -3.53862 63.546000 Cu 0.95748 0.0736888 0.5 349 63.546 0.00303739 -3.5394 63.546000 Cu 0.103466 0.119358 3.55832e-17 370 63.546 0.00208352 -3.54071 63.546000 Cu 0.0547725 0.103947 0.5 371 63.546 0.00453782 -3.54142 63.546000 Cu 0.0428193 0.131555 0.5 372 63.546 0.00152093 -3.54091 63.546000 Cu 0.115481 0.0917557 1 373 63.546 0.00576414 -3.54126 63.546000 Cu 0.164134 0.107349 0.5 376 63.546 0.00100009 -3.53959 63.546000 Cu 0.152386 0.134808 0.5 401 63.546 0.000443404 -3.53976 63.546000 Cu 0.213048 0.122815 8.13501e-17 403 63.546 0.00189665 -3.53851 63.546000 Cu 0.22487 0.0955079 2.02117e-16 374 63.546 0.00542404 -3.53702 63.546000 Cu 0.323068 0.125932 1 404 63.546 0.00177236 -3.53853 63.546000 Cu 0.273926 0.110818 0.5 405 63.546 0.00494263 -3.53738 63.546000 Cu 0.335003 0.0986714 7.18852e-18 407 63.546 0.00480952 -3.53773 63.546000 Cu 0.384073 0.113632 0.5 410 63.546 0.000804096 -3.53929 63.546000 Cu 0.445158 0.101187 2.20448e-17 408 63.546 0.00143203 -3.54015 63.546000 Cu 0.433078 0.128669 1.22205e-16 443 63.546 0.000659665 -3.54039 63.546000 Cu 0.542819 0.131555 3.66854e-16 444 63.546 0.00152093 -3.54091 63.546000 Cu 0.49396 0.116289 0.5 445 63.546 0.00216802 -3.54095 63.546000 Cu 0.554772 0.103947 1.70847e-16 447 63.546 0.00453782 -3.54142 63.546000 Cu 0.603466 0.119358 0.5 450 63.546 0.00208352 -3.54071 63.546000 Cu 0.664134 0.107349 1 448 63.546 0.00100009 -3.53959 63.546000 Cu 0.615481 0.0917557 0.5 449 63.546 0.00576414 -3.54126 63.546000 Cu 0.72487 0.0955079 0.5 454 63.546 0.00542404 -3.53702 63.546000 Cu 0.652386 0.134808 4.28915e-17 483 63.546 0.000443404 -3.53976 63.546000 Cu 0.713048 0.122815 0.5 485 63.546 0.00189665 -3.53851 63.546000 Cu 0.773926 0.110818 6.3858e-17 487 63.546 0.00494263 -3.53738 63.546000 Cu 0.884073 0.113632 5.99044e-19 344 63.546 0.000804096 -3.53929 63.546000 Cu 0.835003 0.0986714 0.5 345 63.546 0.00480952 -3.53773 63.546000 Cu 0.823068 0.125932 0.5 346 63.546 0.00177236 -3.53853 63.546000 Cu 0.945158 0.101187 0.5 350 63.546 0.00143203 -3.54015 63.546000 Cu 0.933078 0.128669 0.5 367 63.546 0.000659665 -3.54039 63.546000 Cu 0.99396 0.116289 1 369 63.546 0.00216802 -3.54095 63.546000 Cu 0.0804732 0.174396 0 396 63.546 0.000294559 -3.54023 63.546000 Cu 0.031274 0.159091 0.5 397 63.546 0.000548894 -3.54064 63.546000 Cu 0.0918256 0.146894 1.19809e-19 399 63.546 0.000764995 -3.54046 63.546000 Cu 0.141001 0.162256 0.5 402 63.546 0.000155966 -3.53977 63.546000 Cu 0.190256 0.177574 1 435 63.546 0.000196571 -3.53931 63.546000 Cu 0.201579 0.150188 6.70929e-17 400 63.546 0.000669408 -3.53921 63.546000 Cu 0.262225 0.138096 0.5 406 63.546 0.00165913 -3.53872 63.546000 Cu 0.300175 0.180666 3.67693e-16 436 63.546 0.000287315 -3.53961 63.546000 Cu 0.250885 0.165453 0.5 437 63.546 0.00046616 -3.53919 63.546000 Cu 0.311572 0.153275 1 439 63.546 0.000549144 -3.53943 63.546000 Cu 0.372272 0.141013 0.5 441 63.546 0.000382864 -3.53977 63.546000 Cu 0.360861 0.168448 0.5 442 63.546 0.000213253 -3.54006 63.546000 Cu 0.421497 0.156149 1 440 63.546 0.00014627 -3.54041 63.546000 Cu 0.482153 0.143831 0.5 446 63.546 0.000818371 -3.54073 63.546000 Cu 0.470719 0.17135 0.5 477 63.546 0.000277288 -3.54052 63.546000 Cu 0.531274 0.159091 1 479 63.546 0.000548894 -3.54064 63.546000 Cu 0.591826 0.146894 0.5 481 63.546 0.000764995 -3.54046 63.546000 Cu 0.580473 0.174396 0.5 482 63.546 0.000294559 -3.54023 63.546000 Cu 0.641001 0.162256 1.09745e-16 480 63.546 0.000155966 -3.53977 63.546000 Cu 0.762225 0.138096 7.18852e-18 484 63.546 0.00165913 -3.53872 63.546000 Cu 0.701579 0.150188 0.5 486 63.546 0.000669408 -3.53921 63.546000 Cu 0.690256 0.177574 0.5 517 63.546 0.000196571 -3.53931 63.546000 Cu 0.750885 0.165453 2.4429e-16 519 63.546 0.00046616 -3.53919 63.546000 Cu 0.811572 0.153275 0.5 520 63.546 0.000549144 -3.53943 63.546000 Cu 0.800175 0.180666 0.5 521 63.546 0.000287315 -3.53961 63.546000 Cu 0.860861 0.168448 7.22447e-17 364 63.546 0.000213253 -3.54006 63.546000 Cu 0.872272 0.141013 4.82829e-17 365 63.546 0.000382864 -3.53977 63.546000 Cu 0.982153 0.143831 9.04556e-17 366 63.546 0.000818371 -3.54073 63.546000 Cu 0.921497 0.156149 0.5 368 63.546 0.00014627 -3.54041 63.546000 Cu 0.970719 0.17135 1.4377e-16 395 63.546 0.000277288 -3.54052 63.546000 Cu 0.01987 0.186605 0.5 398 63.546 0.000375345 -3.54041 63.546000 Cu 0.068807 0.201879 1.42812e-16 431 63.546 0.000118595 -3.54027 63.546000 Cu 0.178598 0.20499 1.67133e-16 432 63.546 6.16915e-05 -3.53984 63.546000 Cu 0.129602 0.189698 0.5 433 63.546 0.000235031 -3.53989 63.546000 Cu 0.117748 0.217148 0.5 434 63.546 8.1847e-05 -3.53998 63.546000 Cu 0.00796 0.2141 0.5 429 63.546 4.43928e-05 -3.54038 63.546000 Cu 0.239453 0.192837 0.5 438 63.546 0.000280232 -3.53952 63.546000 Cu 0.227551 0.220251 0.5 469 63.546 5.32242e-05 -3.53959 63.546000 Cu 0.288429 0.208081 1.3179e-16 471 63.546 0.000103467 -3.53974 63.546000 Cu 0.398228 0.211101 3.47086e-16 472 63.546 5.32166e-05 -3.54009 63.546000 Cu 0.349292 0.195885 0.5 473 63.546 0.000245284 -3.53985 63.546000 Cu 0.337347 0.223323 0.5 474 63.546 9.36247e-05 -3.54005 63.546000 Cu 0.410084 0.183628 1 475 63.546 0.000233897 -3.54028 63.546000 Cu 0.51987 0.186605 1 476 63.546 0.000375345 -3.54041 63.546000 Cu 0.459071 0.198847 0.5 478 63.546 0.000126116 -3.5403 63.546000 Cu 0.447126 0.226336 0.5 509 63.546 6.2069e-05 -3.54035 63.546000 Cu 0.50796 0.2141 2.3159e-16 511 63.546 4.43928e-05 -3.54038 63.546000 Cu 0.568807 0.201879 0.5 513 63.546 0.000118595 -3.54027 63.546000 Cu 0.617748 0.217148 2.4441e-16 512 63.546 8.1847e-05 -3.53998 63.546000 Cu 0.629602 0.189698 1.40775e-16 515 63.546 0.000235031 -3.53989 63.546000 Cu 0.739453 0.192837 1 516 63.546 0.000280232 -3.53952 63.546000 Cu 0.678598 0.20499 0.5 518 63.546 6.16915e-05 -3.53984 63.546000 Cu 0.727551 0.220251 1.19809e-19 551 63.546 5.32242e-05 -3.53959 63.546000 Cu 0.788429 0.208081 0.5 552 63.546 0.000103467 -3.53974 63.546000 Cu 0.837347 0.223323 5.96647e-17 390 63.546 9.36247e-05 -3.54005 63.546000 Cu 0.849292 0.195885 6.17015e-17 391 63.546 0.000245284 -3.53985 63.546000 Cu 0.959071 0.198847 1.45448e-16 392 63.546 0.000126116 -3.5403 63.546000 Cu 0.910084 0.183628 0.5 393 63.546 0.000233897 -3.54028 63.546000 Cu 0.898228 0.211101 0.5 394 63.546 5.32166e-05 -3.54009 63.546000 Cu 0.947126 0.226336 1 427 63.546 6.2069e-05 -3.54035 63.546000 Cu 0.0568958 0.229344 7.18852e-18 428 63.546 0.000139413 -3.54019 63.546000 Cu 0.0446873 0.256792 6.52958e-17 463 63.546 0.000127589 -3.54005 63.546000 Cu 0.154473 0.259808 6.92494e-17 464 63.546 0.000200802 -3.5397 63.546000 Cu 0.10568 0.244577 0.5 465 63.546 7.45928e-05 -3.53981 63.546000 Cu 0.093605 0.272006 0.5 466 63.546 0.00014719 -3.53982 63.546000 Cu 0.166673 0.232404 1 467 63.546 0.000109939 -3.53938 63.546000 Cu 0.215426 0.247653 0.5 470 63.546 4.94782e-05 -3.53942 63.546000 Cu 0.276396 0.235505 1 468 63.546 3.90798e-05 -3.53965 63.546000 Cu 0.264332 0.262915 1 503 63.546 5.60029e-05 -3.53972 63.546000 Cu 0.374107 0.266012 1 504 63.546 0.00011079 -3.54015 63.546000 Cu 0.3252 0.250757 0.5 505 63.546 0.000105374 -3.53979 63.546000 Cu 0.386179 0.238564 1 507 63.546 5.24983e-05 -3.54011 63.546000 Cu 0.495907 0.241575 2.39617e-19 508 63.546 1.20759e-05 -3.54017 63.546000 Cu 0.434952 0.253804 0.5 510 63.546 0.000108985 -3.54014 63.546000 Cu 0.556896 0.229344 0.5 514 63.546 0.000139413 -3.54019 63.546000 Cu 0.483856 0.269037 1 543 63.546 6.29633e-05 -3.54029 63.546000 Cu 0.593605 0.272006 1.22564e-16 544 63.546 0.00014719 -3.53982 63.546000 Cu 0.544687 0.256792 0.5 545 63.546 0.000127589 -3.54005 63.546000 Cu 0.60568 0.244577 1.19809e-19 547 63.546 7.45928e-05 -3.53981 63.546000 Cu 0.715426 0.247653 7.18852e-18 548 63.546 4.94782e-05 -3.53942 63.546000 Cu 0.666673 0.232404 0.5 549 63.546 0.000109939 -3.53938 63.546000 Cu 0.654473 0.259808 0.5 550 63.546 0.000200802 -3.5397 63.546000 Cu 0.776396 0.235505 0.5 553 63.546 3.90798e-05 -3.53965 63.546000 Cu 0.764332 0.262915 0.5 585 63.546 5.60029e-05 -3.53972 63.546000 Cu 0.8252 0.250757 0 423 63.546 0.000105374 -3.53979 63.546000 Cu 0.934952 0.253804 3.67453e-16 424 63.546 0.000108985 -3.54014 63.546000 Cu 0.886179 0.238564 0.5 425 63.546 5.24983e-05 -3.54011 63.546000 Cu 0.874107 0.266012 0.5 426 63.546 0.00011079 -3.54015 63.546000 Cu 0.995907 0.241575 0.5 430 63.546 1.20759e-05 -3.54017 63.546000 Cu 0.983856 0.269037 0.5 461 63.546 6.29633e-05 -3.54029 63.546000 Cu 0.0327903 0.284253 1.36462e-16 460 63.546 7.13784e-05 -3.54011 63.546000 Cu 0.0211326 0.311723 4.34906e-17 495 63.546 0.000179225 -3.54028 63.546000 Cu 0.131099 0.314588 1 496 63.546 0.00080558 -3.53953 63.546000 Cu 0.0818133 0.299437 0.5 497 63.546 0.000289034 -3.53986 63.546000 Cu 0.142584 0.287209 1 499 63.546 0.000449611 -3.53949 63.546000 Cu 0.191794 0.302427 0.5 502 63.546 0.000589385 -3.53925 63.546000 Cu 0.203455 0.275047 0.5 501 63.546 0.000168969 -3.53964 63.546000 Cu 0.25252 0.290317 2.74482e-16 500 63.546 0.000187123 -3.53954 63.546000 Cu 0.313303 0.278184 0.5 506 63.546 0.00010134 -3.5399 63.546000 Cu 0.241116 0.317708 2.24761e-16 535 63.546 0.000415689 -3.53914 63.546000 Cu 0.301677 0.30563 0.5 537 63.546 0.0001889 -3.53982 63.546000 Cu 0.362283 0.293483 1.22564e-16 539 63.546 0.000307868 -3.54032 63.546000 Cu 0.411381 0.308785 0.5 542 63.546 0.000573719 -3.54055 63.546000 Cu 0.472008 0.296526 1.44969e-16 540 63.546 0.000314916 -3.54045 63.546000 Cu 0.423042 0.281285 0.5 541 63.546 0.000247334 -3.5405 63.546000 Cu 0.53279 0.284253 0.5 546 63.546 7.13784e-05 -3.54011 63.546000 Cu 0.521133 0.311723 0.5 577 63.546 0.000179225 -3.54028 63.546000 Cu 0.581813 0.299437 3.67214e-16 579 63.546 0.000289034 -3.53986 63.546000 Cu 0.691794 0.302427 1 580 63.546 0.000589385 -3.53925 63.546000 Cu 0.642584 0.287209 0.5 581 63.546 0.000449611 -3.53949 63.546000 Cu 0.631099 0.314588 0.5 582 63.546 0.00080558 -3.53953 63.546000 Cu 0.703455 0.275047 1.05551e-16 583 63.546 0.000168969 -3.53964 63.546000 Cu 0.75252 0.290317 0.5 586 63.546 0.000187123 -3.53954 63.546000 Cu 0.741116 0.317708 0.5 615 63.546 0.000415689 -3.53914 63.546000 Cu 0.813303 0.278184 1 584 63.546 0.00010134 -3.5399 63.546000 Cu 0.801677 0.30563 2.44769e-16 617 63.546 0.0001889 -3.53982 63.546000 Cu 0.911381 0.308785 1 456 63.546 0.000573719 -3.54055 63.546000 Cu 0.862283 0.293483 0.5 457 63.546 0.000307868 -3.54032 63.546000 Cu 0.923042 0.281285 1.74681e-16 459 63.546 0.000247334 -3.5405 63.546000 Cu 0.972008 0.296526 0.5 462 63.546 0.000314916 -3.54045 63.546000 Cu 0.0703626 0.326859 0.5 498 63.546 0.000271122 -3.53982 63.546000 Cu 0.0589633 0.35425 0.5 529 63.546 0.000638744 -3.53957 63.546000 Cu 0.119744 0.341941 3.59426e-17 531 63.546 0.00177333 -3.53887 63.546000 Cu 0.180454 0.329776 0.5 533 63.546 0.00171077 -3.5387 63.546000 Cu 0.169157 0.357079 0.5 534 63.546 0.00472523 -3.5377 63.546000 Cu 0.00966671 0.339198 3.59426e-19 492 63.546 0.000470936 -3.54025 63.546000 Cu 0.229743 0.345078 1 532 63.546 0.00130502 -3.53842 63.546000 Cu 0.350864 0.320983 3.67094e-16 536 63.546 0.000631912 -3.54041 63.546000 Cu 0.290319 0.333079 0.5 538 63.546 0.000304964 -3.53981 63.546000 Cu 0.278996 0.360541 0.5 569 63.546 0.000894971 -3.53943 63.546000 Cu 0.33943 0.348517 1.53595e-16 571 63.546 0.00173393 -3.54073 63.546000 Cu 0.399943 0.336329 0.5 573 63.546 0.00164169 -3.54093 63.546000 Cu 0.449 0.351582 2.44649e-16 572 63.546 0.00193548 -3.54103 63.546000 Cu 0.460513 0.324036 2.3159e-16 575 63.546 0.000628593 -3.54051 63.546000 Cu 0.570363 0.326859 3.66735e-16 576 63.546 0.000271122 -3.53982 63.546000 Cu 0.509667 0.339198 0.5 578 63.546 0.000470936 -3.54025 63.546000 Cu 0.558963 0.35425 7.18852e-18 609 63.546 0.000638744 -3.53957 63.546000 Cu 0.669157 0.357079 2.44889e-16 610 63.546 0.00472523 -3.5377 63.546000 Cu 0.619744 0.341941 0.5 611 63.546 0.00177333 -3.53887 63.546000 Cu 0.680454 0.329776 1 613 63.546 0.00171077 -3.5387 63.546000 Cu 0.790319 0.333079 6.50561e-17 614 63.546 0.000304964 -3.53981 63.546000 Cu 0.729743 0.345078 0.5 616 63.546 0.00130502 -3.53842 63.546000 Cu 0.778996 0.360541 8.49444e-17 639 63.546 0.000894971 -3.53943 63.546000 Cu 0.850864 0.320983 0.5 458 63.546 0.000631912 -3.54041 63.546000 Cu 0.83943 0.348517 0.5 489 63.546 0.00173393 -3.54073 63.546000 Cu 0.899943 0.336329 1.18251e-16 491 63.546 0.00164169 -3.54093 63.546000 Cu 0.960513 0.324036 0.5 493 63.546 0.000628593 -3.54051 63.546000 Cu 0.949 0.351582 0.5 494 63.546 0.00193548 -3.54103 63.546000 Cu 0.108313 0.369236 4.16934e-17 528 63.546 0.00424641 -3.5382 63.546000 Cu 0.0472753 0.381604 0.5 530 63.546 0.00177843 -3.53909 63.546000 Cu 0.0353785 0.408939 0.5 561 63.546 0.00332215 -3.53821 63.546000 Cu 0.0965981 0.396427 4.79235e-19 563 63.546 0.0103731 -3.53678 63.546000 Cu 0.157679 0.384284 0.5 565 63.546 0.0129042 -3.53556 63.546000 Cu 0.388398 0.363936 0.5 574 63.546 0.00482985 -3.54133 63.546000 Cu 0.207102 0.399611 4.79235e-19 564 63.546 0.0188266 -3.53237 63.546000 Cu 0.218491 0.37241 2.48004e-17 567 63.546 0.00452146 -3.53699 63.546000 Cu 0.327951 0.376119 0 568 63.546 0.00504384 -3.54097 63.546000 Cu 0.267581 0.388032 0.5 570 63.546 0.00333422 -3.53891 63.546000 Cu 0.316222 0.40385 2.39617e-19 601 63.546 0.0169435 -3.5415 63.546000 Cu 0.37665 0.391656 0.5 603 63.546 0.013501 -3.54185 63.546000 Cu 0.425326 0.406889 1 602 63.546 0.0116216 -3.54074 63.546000 Cu 0.437295 0.379189 9.22527e-17 605 63.546 0.00511866 -3.54114 63.546000 Cu 0.547275 0.381604 1.19809e-19 606 63.546 0.00177843 -3.53909 63.546000 Cu 0.498098 0.366678 0.5 607 63.546 0.00110432 -3.54037 63.546000 Cu 0.486265 0.394194 0.5 608 63.546 0.00251905 -3.54001 63.546000 Cu 0.535379 0.408939 1 631 63.546 0.00332215 -3.53821 63.546000 Cu 0.596598 0.396427 0.5 633 63.546 0.0103731 -3.53678 63.546000 Cu 0.608313 0.369236 0.5 612 63.546 0.00424641 -3.5382 63.546000 Cu 0.657679 0.384284 1.44969e-16 635 63.546 0.0129042 -3.53556 63.546000 Cu 0.767581 0.388032 1.22804e-16 636 63.546 0.00333422 -3.53891 63.546000 Cu 0.718491 0.37241 0.5 637 63.546 0.00452146 -3.53699 63.546000 Cu 0.707102 0.399611 0.5 638 63.546 0.0188266 -3.53237 63.546000 Cu 0.888398 0.363936 1.29034e-16 488 63.546 0.00482985 -3.54133 63.546000 Cu 0.816222 0.40385 0.5 653 63.546 0.0169435 -3.5415 63.546000 Cu 0.827951 0.376119 0.5 490 63.546 0.00504384 -3.54097 63.546000 Cu 0.87665 0.391656 5.008e-17 523 63.546 0.013501 -3.54185 63.546000 Cu 0.986265 0.394194 1 524 63.546 0.00251905 -3.54001 63.546000 Cu 0.937295 0.379189 0.5 525 63.546 0.00511866 -3.54114 63.546000 Cu 0.925326 0.406889 0.5 526 63.546 0.0116216 -3.54074 63.546000 Cu 0.998098 0.366678 1 527 63.546 0.00110432 -3.54037 63.546000 Cu 0.0847045 0.42349 1.22564e-16 560 63.546 0.020805 -3.53494 63.546000 Cu 0.0230809 0.436223 0.5 562 63.546 0.00557144 -3.53635 63.546000 Cu 0.146153 0.411287 0.5 566 63.546 0.0418596 -3.53081 63.546000 Cu 0.0723565 0.450403 1 593 63.546 0.0304228 -3.53274 63.546000 Cu 0.184339 0.453 0 594 63.546 0.51043 -3.46859 63.546000 Cu 0.134459 0.437998 0.5 595 63.546 0.132569 -3.52273 63.546000 Cu 0.195785 0.426571 1.89298e-17 597 63.546 0.089075 -3.51778 63.546000 Cu 0.304253 0.431816 1 598 63.546 0.0611306 -3.54004 63.546000 Cu 0.256133 0.415585 0.5 599 63.546 0.0143696 -3.53628 63.546000 Cu 0.244862 0.443347 0.5 600 63.546 0.0845784 -3.52148 63.546000 Cu 0.364583 0.419542 0.5 604 63.546 0.0349599 -3.54145 63.546000 Cu 0.352154 0.447745 0.5 625 63.546 0.091436 -3.53413 63.546000 Cu 0.412898 0.434723 1.22085e-16 627 63.546 0.024406 -3.53778 63.546000 Cu 0.523081 0.436223 1.22564e-16 628 63.546 0.00557144 -3.53635 63.546000 Cu 0.474075 0.421745 0.5 629 63.546 0.00563677 -3.53843 63.546000 Cu 0.461522 0.449341 0.5 630 63.546 0.0100964 -3.53324 63.546000 Cu 0.584704 0.42349 0.5 634 63.546 0.020805 -3.53494 63.546000 Cu 0.572357 0.450403 0.5 646 63.546 0.0304228 -3.53274 63.546000 Cu 0.646153 0.411287 9.51281e-17 632 63.546 0.0418596 -3.53081 63.546000 Cu 0.634459 0.437998 1.1897e-16 648 63.546 0.132569 -3.52273 63.546000 Cu 0.744862 0.443347 1.66654e-16 649 63.546 0.0845784 -3.52148 63.546000 Cu 0.695785 0.426571 0.5 650 63.546 0.089075 -3.51778 63.546000 Cu 0.684339 0.453 0.5 651 63.546 0.51043 -3.46859 63.546000 Cu 0.756133 0.415585 1.02676e-16 652 63.546 0.0143696 -3.53628 63.546000 Cu 0.804253 0.431816 0.5 654 63.546 0.0611306 -3.54004 63.546000 Cu 0.864583 0.419542 1.21965e-16 522 63.546 0.0349599 -3.54145 63.546000 Cu 0.852154 0.447745 1.21845e-16 555 63.546 0.091436 -3.53413 63.546000 Cu 0.961522 0.449341 1.90855e-16 556 63.546 0.0100964 -3.53324 63.546000 Cu 0.912898 0.434723 0.5 557 63.546 0.024406 -3.53778 63.546000 Cu 0.974075 0.421745 8.81792e-17 559 63.546 0.00563677 -3.53843 63.546000 Cu 0.0608911 0.477321 1.30711e-16 590 63.546 0.112994 -3.53417 63.546000 Cu 0.121968 0.464355 0.5 596 63.546 0.435095 -3.49891 63.546000 Cu 0.115018 0.49084 0.5 618 63.546 3.24574 -3.47147 63.546000 Cu 0.170863 0.478397 1.41135e-16 619 63.546 7.18592 -3.26173 63.546000 Cu 0.0106572 0.463487 0.5 591 63.546 0.0249307 -3.533 63.546000 Cu 0.00376605 0.490833 0.5 592 63.546 0.128378 -3.54412 63.546000 Cu 0.275959 0.490804 1.40895e-16 620 63.546 4.53291 -3.53021 63.546000 Cu 0.23398 0.471803 0.5 621 63.546 5.53423 -3.42435 63.546000 Cu 0.291702 0.460262 6.05034e-17 623 63.546 0.271811 -3.51655 63.546000 Cu 0.339552 0.476521 0.5 626 63.546 0.350641 -3.50135 63.546000 Cu 0.391663 0.490802 1.5647e-16 641 63.546 0.256226 -3.52518 63.546000 Cu 0.400279 0.462754 7.81153e-17 624 63.546 0.0521209 -3.52661 63.546000 Cu 0.503766 0.490833 7.18852e-18 642 63.546 0.128378 -3.54412 63.546000 Cu 0.450159 0.477017 0.5 643 63.546 0.0922106 -3.53256 63.546000 Cu 0.510657 0.463487 1.0663e-16 644 63.546 0.0249307 -3.533 63.546000 Cu 0.560891 0.477321 0.5 647 63.546 0.112994 -3.53417 63.546000 Cu 0.615018 0.49084 1.78156e-16 330 63.546 3.24574 -3.47147 63.546000 Cu 0.775959 0.490804 0.5 3 63.546 4.53291 -3.53021 63.546000 Cu 0.791702 0.460262 0.5 16 63.546 0.271811 -3.51655 63.546000 Cu 0.73398 0.471803 5.30753e-17 34 63.546 5.53423 -3.42435 63.546000 Cu 0.670863 0.478397 0.5 60 63.546 7.18592 -3.26173 63.546000 Cu 0.621968 0.464355 1 645 63.546 0.435095 -3.49891 63.546000 Cu 0.839552 0.476521 2.23563e-16 554 63.546 0.350641 -3.50135 63.546000 Cu 0.900279 0.462754 0.5 558 63.546 0.0521209 -3.52661 63.546000 Cu 0.891663 0.490802 0.5 588 63.546 0.256226 -3.52518 63.546000 Cu 0.950159 0.477017 7.28437e-17 589 63.546 0.0922106 -3.53256 63.546000 Cu 0.060696 0.50435 5.24762e-17 1 63.546 0.127458 -3.5344 63.546000 Cu 0.121891 0.517332 0.5 2 63.546 0.453075 -3.49812 63.546000 Cu 0.0105934 0.518203 0.5 6 63.546 0.0298568 -3.53262 63.546000 Cu 0.0725012 0.53126 1 8 63.546 0.0304116 -3.53228 63.546000 Cu 0.134784 0.543671 0.5 10 63.546 0.139298 -3.52245 63.546000 Cu 0.170642 0.503313 1 58 63.546 7.17097 -3.25852 63.546000 Cu 0.184396 0.528665 1.19809e-19 59 63.546 0.532334 -3.46666 63.546000 Cu 0.0234971 0.545435 0.5 11 63.546 0.00597269 -3.53545 63.546000 Cu 0.233884 0.509768 0.5 622 63.546 5.51346 -3.42429 63.546000 Cu 0.291634 0.52131 2.27637e-18 61 63.546 0.281407 -3.51722 63.546000 Cu 0.352313 0.533823 0.5 63 63.546 0.0975409 -3.5339 63.546000 Cu 0.245076 0.538249 0.5 64 63.546 0.0867029 -3.5218 63.546000 Cu 0.339488 0.505051 0.5 640 63.546 0.36226 -3.50136 63.546000 Cu 0.560696 0.50435 0.5 15 63.546 0.127458 -3.5344 63.546000 Cu 0.400183 0.518842 1.72764e-16 32 63.546 0.0594588 -3.526 63.546000 Cu 0.450098 0.504632 0.5 33 63.546 0.0956848 -3.53221 63.546000 Cu 0.510593 0.518203 3.13659e-16 35 63.546 0.0298568 -3.53262 63.546000 Cu 0.572501 0.53126 0.5 37 63.546 0.0304116 -3.53228 63.546000 Cu 0.461642 0.532301 0.5 38 63.546 0.011012 -3.53187 63.546000 Cu 0.523497 0.545435 2.4441e-16 36 63.546 0.00597269 -3.53545 63.546000 Cu 0.733884 0.509768 2.36023e-16 323 63.546 5.51346 -3.42429 63.546000 Cu 0.621891 0.517332 7.58389e-17 13 63.546 0.453075 -3.49812 63.546000 Cu 0.670642 0.503313 0.5 14 63.546 7.17097 -3.25852 63.546000 Cu 0.745076 0.538249 0 17 63.546 0.0867029 -3.5218 63.546000 Cu 0.684396 0.528665 0.5 19 63.546 0.532334 -3.46666 63.546000 Cu 0.634784 0.543671 7.18852e-18 39 63.546 0.139298 -3.52245 63.546000 Cu 0.791634 0.52131 0.5 18 63.546 0.281407 -3.51722 63.546000 Cu 0.950098 0.504632 2.39617e-19 4 63.546 0.0956848 -3.53221 63.546000 Cu 0.961642 0.532301 5.27158e-17 5 63.546 0.011012 -3.53187 63.546000 Cu 0.900183 0.518842 0.5 7 63.546 0.0594588 -3.526 63.546000 Cu 0.852313 0.533823 3.43851e-17 20 63.546 0.0975409 -3.5339 63.546000 Cu 0.839488 0.505051 7.18852e-18 587 63.546 0.36226 -3.50136 63.546000 Cu 0.0854057 0.558164 2.45248e-16 9 63.546 0.0219655 -3.53451 63.546000 Cu 0.14723 0.570356 0.5 12 63.546 0.0456868 -3.5308 63.546000 Cu 0.0365467 0.57269 0.5 26 63.546 0.00357921 -3.53714 63.546000 Cu 0.098311 0.585196 8.06313e-17 28 63.546 0.0117577 -3.53624 63.546000 Cu 0.196431 0.555063 1 92 63.546 0.0934377 -3.51797 63.546000 Cu 0.304737 0.549737 0 62 63.546 0.0671995 -3.54067 63.546000 Cu 0.365433 0.56201 0.5 68 63.546 0.0385162 -3.54159 63.546000 Cu 0.208648 0.581983 1.54074e-16 93 63.546 0.0195648 -3.53283 63.546000 Cu 0.257081 0.56599 0.5 94 63.546 0.0149272 -3.53694 63.546000 Cu 0.317612 0.577683 7.18852e-18 95 63.546 0.0198883 -3.54202 63.546000 Cu 0.378596 0.589882 0.5 97 63.546 0.0143353 -3.54185 63.546000 Cu 0.413394 0.546861 6.81712e-17 65 63.546 0.0256769 -3.53702 63.546000 Cu 0.426577 0.574676 1 66 63.546 0.0128356 -3.53998 63.546000 Cu 0.474877 0.559881 0.5 67 63.546 0.00511524 -3.53728 63.546000 Cu 0.536547 0.57269 1.33946e-16 69 63.546 0.00357921 -3.53714 63.546000 Cu 0.488064 0.587389 0.5 72 63.546 0.00271531 -3.5389 63.546000 Cu 0.585406 0.558164 0.5 42 63.546 0.0219655 -3.53451 63.546000 Cu 0.598311 0.585196 0.5 71 63.546 0.0117577 -3.53624 63.546000 Cu 0.64723 0.570356 2.39617e-19 40 63.546 0.0456868 -3.5308 63.546000 Cu 0.696431 0.555063 0.5 41 63.546 0.0934377 -3.51797 63.546000 Cu 0.757081 0.56599 3.17253e-16 43 63.546 0.0149272 -3.53694 63.546000 Cu 0.708648 0.581983 0.5 46 63.546 0.0195648 -3.53283 63.546000 Cu 0.988064 0.587389 0 25 63.546 0.00271531 -3.5389 63.546000 Cu 0.865433 0.56201 1 21 63.546 0.0385162 -3.54159 63.546000 Cu 0.913394 0.546861 0.5 22 63.546 0.0256769 -3.53702 63.546000 Cu 0.804737 0.549737 0.5 23 63.546 0.0671995 -3.54067 63.546000 Cu 0.974877 0.559881 1 24 63.546 0.00511524 -3.53728 63.546000 Cu 0.926577 0.574676 0.5 27 63.546 0.0128356 -3.53998 63.546000 Cu 0.817612 0.577683 0.5 45 63.546 0.0198883 -3.54202 63.546000 Cu 0.878596 0.589882 1 47 63.546 0.0143353 -3.54185 63.546000 Cu 0.111403 0.612348 3.09825e-16 29 63.546 0.00532302 -3.53758 63.546000 Cu 0.159983 0.59732 0.5 30 63.546 0.0151009 -3.53527 63.546000 Cu 0.0497263 0.599977 0.5 31 63.546 0.00181225 -3.53826 63.546000 Cu 0.00133963 0.614863 2.04993e-16 51 63.546 0.00117019 -3.5397 63.546000 Cu 0.0628905 0.627294 0.5 53 63.546 0.0008396 -3.53893 63.546000 Cu 0.172928 0.624468 0.5 127 63.546 0.00529907 -3.53763 63.546000 Cu 0.33061 0.605379 1 96 63.546 0.00674093 -3.54158 63.546000 Cu 0.269656 0.59351 0.5 98 63.546 0.00342116 -3.53951 63.546000 Cu 0.221352 0.609149 3.10305e-16 124 63.546 0.00500796 -3.53716 63.546000 Cu 0.282577 0.620959 0.5 126 63.546 0.00107051 -3.54013 63.546000 Cu 0.343811 0.632955 1.1286e-16 128 63.546 0.00245039 -3.54092 63.546000 Cu 0.391804 0.617562 0.5 102 63.546 0.00549903 -3.54144 63.546000 Cu 0.549726 0.599977 1 70 63.546 0.00181225 -3.53826 63.546000 Cu 0.439878 0.602353 1 99 63.546 0.00499579 -3.54071 63.546000 Cu 0.453132 0.629931 0 100 63.546 0.00184869 -3.54043 63.546000 Cu 0.50134 0.614863 0.5 101 63.546 0.00117019 -3.5397 63.546000 Cu 0.56289 0.627294 1 103 63.546 0.0008396 -3.53893 63.546000 Cu 0.769656 0.59351 1 44 63.546 0.00342116 -3.53951 63.546000 Cu 0.659983 0.59732 5.85865e-17 73 63.546 0.0151009 -3.53527 63.546000 Cu 0.672928 0.624468 1 74 63.546 0.00529907 -3.53763 63.546000 Cu 0.721352 0.609149 0.5 75 63.546 0.00500796 -3.53716 63.546000 Cu 0.611403 0.612348 0.5 76 63.546 0.00532302 -3.53758 63.546000 Cu 0.782577 0.620959 3.59426e-19 77 63.546 0.00107051 -3.54013 63.546000 Cu 0.891804 0.617562 6.90098e-17 48 63.546 0.00549903 -3.54144 63.546000 Cu 0.939878 0.602353 0.5 49 63.546 0.00499579 -3.54071 63.546000 Cu 0.83061 0.605379 0.5 50 63.546 0.00674093 -3.54158 63.546000 Cu 0.953132 0.629931 0.5 54 63.546 0.00184869 -3.54043 63.546000 Cu 0.843811 0.632955 0.5 79 63.546 0.00245039 -3.54092 63.546000 Cu 0.0145968 0.642311 1 52 63.546 0.000519087 -3.53974 63.546000 Cu 0.124508 0.639587 2.47884e-16 55 63.546 0.00231612 -3.53839 63.546000 Cu 0.137725 0.666868 1.08786e-16 56 63.546 0.00103836 -3.53907 63.546000 Cu 0.0762062 0.654633 0.5 57 63.546 0.000402176 -3.53924 63.546000 Cu 0.0278581 0.669729 1 85 63.546 0.000341347 -3.54029 63.546000 Cu 0.186109 0.651701 0.5 157 63.546 0.00171158 -3.53841 63.546000 Cu 0.199003 0.679019 0.5 161 63.546 0.000601835 -3.53912 63.546000 Cu 0.234408 0.636426 1.22205e-16 125 63.546 0.00165069 -3.53885 63.546000 Cu 0.356918 0.660476 7.18852e-18 129 63.546 0.000784456 -3.54051 63.546000 Cu 0.295732 0.648388 0.5 131 63.546 0.000528922 -3.53995 63.546000 Cu 0.247478 0.663756 1.93251e-16 158 63.546 0.000712524 -3.53911 63.546000 Cu 0.308617 0.675835 0.5 160 63.546 0.000147571 -3.53998 63.546000 Cu 0.576206 0.654633 1 104 63.546 0.000402176 -3.53924 63.546000 Cu 0.514597 0.642311 0.5 106 63.546 0.000519087 -3.53974 63.546000 Cu 0.405057 0.64515 0.5 130 63.546 0.00184502 -3.54062 63.546000 Cu 0.466419 0.657443 1.05911e-16 132 63.546 0.000678525 -3.54037 63.546000 Cu 0.527858 0.669729 0.5 134 63.546 0.000341347 -3.54029 63.546000 Cu 0.418134 0.672658 0.5 135 63.546 0.000773838 -3.54054 63.546000 Cu 0.734408 0.636426 0.5 80 63.546 0.00165069 -3.53885 63.546000 Cu 0.624508 0.639587 0.5 105 63.546 0.00231612 -3.53839 63.546000 Cu 0.686109 0.651701 1 107 63.546 0.00171158 -3.53841 63.546000 Cu 0.699003 0.679019 2.28835e-17 108 63.546 0.000601835 -3.53912 63.546000 Cu 0.747478 0.663756 0.5 109 63.546 0.000712524 -3.53911 63.546000 Cu 0.637725 0.666868 0.5 110 63.546 0.00103836 -3.53907 63.546000 Cu 0.795732 0.648388 5.99044e-19 78 63.546 0.000528922 -3.53995 63.546000 Cu 0.905057 0.64515 2.44889e-16 81 63.546 0.00184502 -3.54062 63.546000 Cu 0.918134 0.672658 1 82 63.546 0.000773838 -3.54054 63.546000 Cu 0.966419 0.657443 0.5 83 63.546 0.000678525 -3.54037 63.546000 Cu 0.856918 0.660476 0.5 84 63.546 0.000784456 -3.54051 63.546000 Cu 0.808617 0.675835 1 111 63.546 0.000147571 -3.53998 63.546000 Cu 0.0405968 0.697178 1 86 63.546 0.000104567 -3.54014 63.546000 Cu 0.0891457 0.682006 0.5 87 63.546 0.000263707 -3.54003 63.546000 Cu 0.150341 0.694229 2.18052e-17 89 63.546 0.000302936 -3.53952 63.546000 Cu 0.162721 0.721616 3.39059e-17 90 63.546 0.000103128 -3.53956 63.546000 Cu 0.101693 0.709429 0.5 91 63.546 0.000217648 -3.53991 63.546000 Cu 0.052996 0.724647 3.66735e-16 119 63.546 0.000116386 -3.5402 63.546000 Cu 0.260133 0.691139 1 159 63.546 0.000233397 -3.53951 63.546000 Cu 0.369774 0.687948 1.17413e-16 162 63.546 0.000336017 -3.54042 63.546000 Cu 0.382313 0.715405 1 163 63.546 0.000141735 -3.54039 63.546000 Cu 0.321271 0.703256 0.5 165 63.546 0.000173867 -3.54014 63.546000 Cu 0.211474 0.70638 0.5 190 63.546 7.71427e-05 -3.53937 63.546000 Cu 0.272547 0.718517 1 191 63.546 2.48744e-05 -3.53967 63.546000 Cu 0.479389 0.6849 1 133 63.546 0.000368079 -3.54036 63.546000 Cu 0.540597 0.697178 0.5 139 63.546 0.000104567 -3.54014 63.546000 Cu 0.430942 0.70013 0.5 164 63.546 0.000512677 -3.54041 63.546000 Cu 0.492019 0.712372 8.48246e-17 166 63.546 0.000216493 -3.54034 63.546000 Cu 0.552996 0.724647 0.5 168 63.546 0.000116386 -3.5402 63.546000 Cu 0.589146 0.682006 7.18852e-18 136 63.546 0.000263707 -3.54003 63.546000 Cu 0.760133 0.691139 0.5 114 63.546 0.000233397 -3.53951 63.546000 Cu 0.601693 0.709429 1 137 63.546 0.000217648 -3.53991 63.546000 Cu 0.650341 0.694229 0.5 138 63.546 0.000302936 -3.53952 63.546000 Cu 0.711474 0.70638 1.21845e-16 140 63.546 7.71427e-05 -3.53937 63.546000 Cu 0.772547 0.718517 0.5 142 63.546 2.48744e-05 -3.53967 63.546000 Cu 0.662721 0.721616 0.5 143 63.546 0.000103128 -3.53956 63.546000 Cu 0.992019 0.712372 0.5 117 63.546 0.000216493 -3.54034 63.546000 Cu 0.979389 0.6849 0.5 88 63.546 0.000368079 -3.54036 63.546000 Cu 0.821271 0.703256 1 112 63.546 0.000173867 -3.54014 63.546000 Cu 0.869774 0.687948 0.5 113 63.546 0.000336017 -3.54042 63.546000 Cu 0.930942 0.70013 1 115 63.546 0.000512677 -3.54041 63.546000 Cu 0.882313 0.715405 0.5 118 63.546 0.000141735 -3.54039 63.546000 Cu 0.0652389 0.75211 1.5683e-16 120 63.546 0.000283507 -3.54026 63.546000 Cu 0.113997 0.736865 0.5 121 63.546 0.000280468 -3.53984 63.546000 Cu 0.00430275 0.739854 0.5 122 63.546 5.32486e-05 -3.54033 63.546000 Cu 0.126091 0.764292 0.5 123 63.546 0.000226527 -3.53989 63.546000 Cu 0.0163765 0.767356 0.5 150 63.546 0.000159021 -3.54062 63.546000 Cu 0.175011 0.749002 1 222 63.546 0.000100654 -3.53968 63.546000 Cu 0.284897 0.745906 2.6957e-17 192 63.546 0.000241233 -3.53971 63.546000 Cu 0.333623 0.730672 0.5 193 63.546 7.8871e-05 -3.53982 63.546000 Cu 0.223805 0.733751 0.5 194 63.546 4.78163e-05 -3.53952 63.546000 Cu 0.34581 0.758105 0.5 198 63.546 7.44373e-05 -3.53985 63.546000 Cu 0.235932 0.761135 0.5 224 63.546 0.000185712 -3.53971 63.546000 Cu 0.394623 0.742863 1 195 63.546 8.61266e-05 -3.54003 63.546000 Cu 0.504303 0.739854 1.39817e-16 167 63.546 5.32486e-05 -3.54033 63.546000 Cu 0.443295 0.727607 0.5 169 63.546 0.000148998 -3.54036 63.546000 Cu 0.565239 0.75211 0.5 173 63.546 0.000283507 -3.54026 63.546000 Cu 0.406714 0.770326 4.93612e-17 196 63.546 0.000117456 -3.54013 63.546000 Cu 0.455546 0.755087 0.5 197 63.546 8.265e-05 -3.54046 63.546000 Cu 0.516377 0.767356 1 199 63.546 0.000159021 -3.54062 63.546000 Cu 0.723805 0.733751 7.18852e-18 141 63.546 4.78163e-05 -3.53952 63.546000 Cu 0.613997 0.736865 1 170 63.546 0.000280468 -3.53984 63.546000 Cu 0.626091 0.764292 0 171 63.546 0.000226527 -3.53989 63.546000 Cu 0.675011 0.749002 0.5 172 63.546 0.000100654 -3.53968 63.546000 Cu 0.735932 0.761135 1 174 63.546 0.000185712 -3.53971 63.546000 Cu 0.784897 0.745906 0.5 147 63.546 0.000241233 -3.53971 63.546000 Cu 0.943295 0.727607 1.03515e-16 116 63.546 0.000148998 -3.54036 63.546000 Cu 0.833623 0.730672 1 144 63.546 7.8871e-05 -3.53982 63.546000 Cu 0.84581 0.758105 6.25402e-17 145 63.546 7.44373e-05 -3.53985 63.546000 Cu 0.894623 0.742863 0.5 146 63.546 8.61266e-05 -3.54003 63.546000 Cu 0.955546 0.755087 2.4441e-16 148 63.546 8.265e-05 -3.54046 63.546000 Cu 0.906714 0.770326 0.5 151 63.546 0.000117456 -3.54013 63.546000 Cu 0.0772994 0.77959 1 152 63.546 0.000595112 -3.54036 63.546000 Cu 0.089716 0.807074 4.79235e-19 153 63.546 0.000627375 -3.54041 63.546000 Cu 0.138347 0.791723 0.5 154 63.546 7.02719e-05 -3.54002 63.546000 Cu 0.0286652 0.79488 0.5 155 63.546 0.000771113 -3.54075 63.546000 Cu 0.187036 0.776398 5.11583e-17 223 63.546 0.000267423 -3.53968 63.546000 Cu 0.199358 0.803814 2.39617e-19 256 63.546 0.000271362 -3.53943 63.546000 Cu 0.296872 0.773305 0 225 63.546 0.000224246 -3.53958 63.546000 Cu 0.309125 0.800695 1 226 63.546 0.000546035 -3.53912 63.546000 Cu 0.357906 0.785519 0.5 227 63.546 0.000178133 -3.53962 63.546000 Cu 0.248069 0.788525 0.5 228 63.546 0.00047255 -3.53943 63.546000 Cu 0.370308 0.812916 0.5 232 63.546 0.000587047 -3.53945 63.546000 Cu 0.260381 0.815895 0.5 258 63.546 0.00116607 -3.53875 63.546000 Cu 0.528665 0.79488 2.44649e-16 200 63.546 0.000771113 -3.54075 63.546000 Cu 0.577299 0.77959 0.5 201 63.546 0.000595112 -3.54036 63.546000 Cu 0.467664 0.782594 0.5 202 63.546 0.000168192 -3.5405 63.546000 Cu 0.419011 0.79779 3.34266e-17 229 63.546 0.000205034 -3.54013 63.546000 Cu 0.480124 0.810115 0.5 231 63.546 0.000713562 -3.54076 63.546000 Cu 0.589716 0.807074 0.5 206 63.546 0.000627375 -3.54041 63.546000 Cu 0.748069 0.788525 1 175 63.546 0.00047255 -3.53943 63.546000 Cu 0.687036 0.776398 0.5 177 63.546 0.000267423 -3.53968 63.546000 Cu 0.638347 0.791723 1 203 63.546 7.02719e-05 -3.54002 63.546000 Cu 0.699358 0.803814 0.5 205 63.546 0.000271362 -3.53943 63.546000 Cu 0.760381 0.815895 1 207 63.546 0.00116607 -3.53875 63.546000 Cu 0.796872 0.773305 0.5 176 63.546 0.000224246 -3.53958 63.546000 Cu 0.967664 0.782594 2.71966e-17 149 63.546 0.000168192 -3.5405 63.546000 Cu 0.857906 0.785519 7.18852e-18 178 63.546 0.000178133 -3.53962 63.546000 Cu 0.870308 0.812916 1.3179e-17 179 63.546 0.000587047 -3.53945 63.546000 Cu 0.919011 0.79779 0.5 180 63.546 0.000205034 -3.54013 63.546000 Cu 0.809125 0.800695 0.5 181 63.546 0.000546035 -3.53912 63.546000 Cu 0.980124 0.810115 4.79235e-19 182 63.546 0.000713562 -3.54076 63.546000 Cu 0.150698 0.819172 0.5 156 63.546 0.000287584 -3.53987 63.546000 Cu 0.041231 0.822417 0.5 184 63.546 0.00190814 -3.54077 63.546000 Cu 0.102258 0.834598 1 186 63.546 0.00138762 -3.54068 63.546000 Cu 0.114993 0.862221 1.22564e-16 187 63.546 0.00523467 -3.54143 63.546000 Cu 0.163255 0.84665 0.5 188 63.546 0.00106624 -3.53996 63.546000 Cu 0.0540149 0.850014 0.5 189 63.546 0.00459048 -3.54121 63.546000 Cu 0.211731 0.831198 7.66776e-18 257 63.546 0.00107303 -3.53889 63.546000 Cu 0.321643 0.828025 7.18852e-18 259 63.546 0.00184629 -3.53869 63.546000 Cu 0.334365 0.855296 0 260 63.546 0.00501131 -3.53789 63.546000 Cu 0.383016 0.840295 0.5 261 63.546 0.00118554 -3.53919 63.546000 Cu 0.272941 0.843187 0.5 262 63.546 0.00377462 -3.53776 63.546000 Cu 0.224266 0.858519 1 286 63.546 0.0042492 -3.53728 63.546000 Cu 0.431582 0.825257 1 230 63.546 0.000396889 -3.54014 63.546000 Cu 0.541231 0.822417 1.20408e-16 233 63.546 0.00190814 -3.54077 63.546000 Cu 0.554015 0.850014 1 234 63.546 0.00459048 -3.54121 63.546000 Cu 0.492845 0.837665 0.5 236 63.546 0.002387 -3.54061 63.546000 Cu 0.444424 0.852736 1.57548e-16 263 63.546 0.000913116 -3.53977 63.546000 Cu 0.650698 0.819172 1 204 63.546 0.000287584 -3.53987 63.546000 Cu 0.772941 0.843187 6.55354e-17 208 63.546 0.00377462 -3.53776 63.546000 Cu 0.711731 0.831198 0.5 210 63.546 0.00107303 -3.53889 63.546000 Cu 0.602258 0.834598 0.5 235 63.546 0.00138762 -3.54068 63.546000 Cu 0.663255 0.84665 0 237 63.546 0.00106624 -3.53996 63.546000 Cu 0.724266 0.858519 0.5 239 63.546 0.0042492 -3.53728 63.546000 Cu 0.614993 0.862221 0.5 240 63.546 0.00523467 -3.54143 63.546000 Cu 0.992845 0.837665 3.48643e-17 183 63.546 0.002387 -3.54061 63.546000 Cu 0.931582 0.825257 0.5 185 63.546 0.000396889 -3.54014 63.546000 Cu 0.821643 0.828025 0.5 209 63.546 0.00184629 -3.53869 63.546000 Cu 0.883016 0.840295 1.22205e-17 211 63.546 0.00118554 -3.53919 63.546000 Cu 0.944424 0.852736 0.5 213 63.546 0.000913116 -3.53977 63.546000 Cu 0.834365 0.855296 0.5 214 63.546 0.00501131 -3.53789 63.546000 Cu 0.00574667 0.865265 1.92293e-16 215 63.546 0.00542141 -3.54058 63.546000 Cu 0.0185699 0.892971 8.36265e-17 216 63.546 0.0119669 -3.54007 63.546000 Cu 0.0668331 0.877747 0.5 217 63.546 0.0135262 -3.54173 63.546000 Cu 0.127585 0.889982 1.19809e-19 219 63.546 0.0192857 -3.54169 63.546000 Cu 0.079489 0.905673 0.5 221 63.546 0.0381532 -3.54123 63.546000 Cu 0.175774 0.874158 0.5 289 63.546 0.00398809 -3.53942 63.546000 Cu 0.187917 0.901714 0.5 309 63.546 0.0152428 -3.53649 63.546000 Cu 0.236612 0.885716 4.76839e-17 287 63.546 0.0179978 -3.53267 63.546000 Cu 0.285559 0.870361 0.5 288 63.546 0.0133839 -3.53539 63.546000 Cu 0.34704 0.882468 4.28915e-17 290 63.546 0.0119785 -3.53644 63.546000 Cu 0.297875 0.897342 0.5 293 63.546 0.0446399 -3.53104 63.546000 Cu 0.395874 0.867653 0.5 266 63.546 0.00219592 -3.53856 63.546000 Cu 0.457308 0.880242 1 264 63.546 0.00243203 -3.5391 63.546000 Cu 0.505747 0.865265 0.5 265 63.546 0.00542141 -3.54058 63.546000 Cu 0.566833 0.877747 1.13579e-16 267 63.546 0.0135262 -3.54173 63.546000 Cu 0.579489 0.905673 1 268 63.546 0.0381532 -3.54123 63.546000 Cu 0.51857 0.892971 0.5 270 63.546 0.0119669 -3.54007 63.546000 Cu 0.408577 0.894974 0.5 292 63.546 0.00375582 -3.53784 63.546000 Cu 0.470032 0.907798 9.66856e-17 294 63.546 0.00480388 -3.53782 63.546000 Cu 0.675774 0.874158 9.52479e-17 238 63.546 0.00398809 -3.53942 63.546000 Cu 0.736612 0.885716 0.5 244 63.546 0.0179978 -3.53267 63.546000 Cu 0.627585 0.889982 0.5 269 63.546 0.0192857 -3.54169 63.546000 Cu 0.687917 0.901714 1 271 63.546 0.0152428 -3.53649 63.546000 Cu 0.785559 0.870361 1 241 63.546 0.0133839 -3.53539 63.546000 Cu 0.797875 0.897342 1.20528e-16 242 63.546 0.0446399 -3.53104 63.546000 Cu 0.895874 0.867653 7.35626e-17 212 63.546 0.00219592 -3.53856 63.546000 Cu 0.957308 0.880242 0.5 218 63.546 0.00243203 -3.5391 63.546000 Cu 0.84704 0.882468 0.5 243 63.546 0.0119785 -3.53644 63.546000 Cu 0.908577 0.894974 1 245 63.546 0.00375582 -3.53784 63.546000 Cu 0.970032 0.907798 0.5 247 63.546 0.00480388 -3.53782 63.546000 Cu 0.139992 0.91796 1.22564e-16 220 63.546 0.064736 -3.54003 63.546000 Cu 0.0313235 0.920838 1 249 63.546 0.0247641 -3.53713 63.546000 Cu 0.0441321 0.948912 1.22564e-16 250 63.546 0.056093 -3.52579 63.546000 Cu 0.0921839 0.933913 0.5 251 63.546 0.0994989 -3.53352 63.546000 Cu 0.152674 0.946416 1 253 63.546 0.27426 -3.51548 63.546000 Cu 0.199507 0.929472 0.5 313 63.546 0.0837763 -3.52108 63.546000 Cu 0.359481 0.909542 2.44889e-16 291 63.546 0.0220485 -3.53529 63.546000 Cu 0.248461 0.91267 1.35504e-16 310 63.546 0.0876272 -3.51811 63.546000 Cu 0.260077 0.939112 1 311 63.546 0.511469 -3.47014 63.546000 Cu 0.30991 0.924078 0.5 312 63.546 0.135517 -3.52347 63.546000 Cu 0.372028 0.936503 2.30272e-16 314 63.546 0.0305267 -3.53314 63.546000 Cu 0.322466 0.950474 0.5 317 63.546 0.436727 -3.50043 63.546000 Cu 0.482833 0.935437 1 295 63.546 0.00990257 -3.53259 63.546000 Cu 0.531323 0.920838 0.5 296 63.546 0.0247641 -3.53713 63.546000 Cu 0.421192 0.922289 0.5 297 63.546 0.00587577 -3.53638 63.546000 Cu 0.544132 0.948912 0.5 301 63.546 0.056093 -3.52579 63.546000 Cu 0.433757 0.949589 0.5 316 63.546 0.0275536 -3.53327 63.546000 Cu 0.592184 0.933913 1 298 63.546 0.0994989 -3.53352 63.546000 Cu 0.699507 0.929472 6.15817e-17 272 63.546 0.0837763 -3.52108 63.546000 Cu 0.748461 0.91267 0.5 273 63.546 0.0876272 -3.51811 63.546000 Cu 0.639992 0.91796 0.5 274 63.546 0.064736 -3.54003 63.546000 Cu 0.760077 0.939112 0.5 278 63.546 0.511469 -3.47014 63.546000 Cu 0.652674 0.946416 0.5 300 63.546 0.27426 -3.51548 63.546000 Cu 0.921192 0.922289 2.65496e-16 246 63.546 0.00587577 -3.53638 63.546000 Cu 0.859481 0.909542 0.5 248 63.546 0.0220485 -3.53529 63.546000 Cu 0.982833 0.935437 0.5 252 63.546 0.00990257 -3.53259 63.546000 Cu 0.80991 0.924078 1 275 63.546 0.135517 -3.52347 63.546000 Cu 0.822466 0.950474 1.13219e-16 276 63.546 0.436727 -3.50043 63.546000 Cu 0.872028 0.936503 0.5 277 63.546 0.0305267 -3.53314 63.546000 Cu 0.933757 0.949589 1 279 63.546 0.0275536 -3.53327 63.546000 Cu 0.168434 0.976973 2.15057e-16 254 63.546 4.55865 -3.5271 63.546000 Cu 0.104854 0.962731 0.5 255 63.546 0.369163 -3.50047 63.546000 Cu 0.0526112 0.97699 1 283 63.546 0.250058 -3.52444 63.546000 Cu 0.104816 0.991285 0.5 284 63.546 0.358733 -3.50023 63.546000 Cu 0.383507 0.963454 2.49562e-16 315 63.546 0.117234 -3.53503 63.546000 Cu 0.210427 0.957937 0.5 324 63.546 5.56326 -3.42344 63.546000 Cu 0.27356 0.964556 4.21487e-16 325 63.546 7.20736 -3.26181 63.546000 Cu 0.27362 0.98946 1 326 63.546 7.20476 -3.26089 63.546000 Cu 0.329274 0.976999 0.5 327 63.546 3.27836 -3.47141 63.546000 Cu 0.210387 0.996026 0.5 328 63.546 5.54991 -3.42338 63.546000 Cu 0.383537 0.990526 1.19809e-19 329 63.546 0.119693 -3.53491 63.546000 Cu 0.494168 0.963162 1.24601e-16 318 63.546 0.091191 -3.53243 63.546000 Cu 0.494178 0.990825 1 319 63.546 0.0924814 -3.53229 63.546000 Cu 0.552611 0.97699 0.5 320 63.546 0.250058 -3.52444 63.546000 Cu 0.440546 0.976997 0.5 321 63.546 0.127058 -3.54444 63.546000 Cu 0.604854 0.962731 1 299 63.546 0.369163 -3.50047 63.546000 Cu 0.710427 0.957937 2.44769e-16 302 63.546 5.56326 -3.42344 63.546000 Cu 0.710387 0.996026 1 303 63.546 5.54991 -3.42338 63.546000 Cu 0.77356 0.964556 0.5 304 63.546 7.20736 -3.26181 63.546000 Cu 0.668434 0.976973 0.5 305 63.546 4.55865 -3.5271 63.546000 Cu 0.604816 0.991285 1.22564e-16 322 63.546 0.358733 -3.50023 63.546000 Cu 0.77362 0.98946 0.5 308 63.546 7.20476 -3.26089 63.546000 Cu 0.994168 0.963162 0.5 281 63.546 0.091191 -3.53243 63.546000 Cu 0.994178 0.990825 0.5 285 63.546 0.0924814 -3.53229 63.546000 Cu 0.940546 0.976997 1 280 63.546 0.127058 -3.54444 63.546000 Cu 0.883507 0.963454 0.5 282 63.546 0.117234 -3.53503 63.546000 Cu 0.829274 0.976999 1.67732e-17 306 63.546 3.27836 -3.47141 63.546000 Cu 0.883537 0.990526 0.5 307 63.546 0.119693 -3.53491