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 0.03132 0.0331293 1.22564e-16 338 63.546 0.0267272 -3.53721 63.546000 Cu 0.0441492 0.00507638 1.22804e-16 341 63.546 0.0574083 -3.52607 63.546000 Cu 0.152713 0.00758166 1 342 63.546 0.275379 -3.51538 63.546000 Cu 0.0921682 0.0200965 0.5 343 63.546 0.0947767 -3.53356 63.546000 Cu 0.139956 0.0360414 3.59426e-19 355 63.546 0.0623199 -3.54008 63.546000 Cu 0.199461 0.0245133 0.5 357 63.546 0.0861563 -3.52102 63.546000 Cu 0.248406 0.0413168 0 356 63.546 0.0883167 -3.51842 63.546000 Cu 0.260021 0.0148846 1.05551e-16 359 63.546 0.520665 -3.46887 63.546000 Cu 0.371964 0.0174803 1 360 63.546 0.0302264 -3.53307 63.546000 Cu 0.322465 0.00352599 0.5 361 63.546 0.443492 -3.4996 63.546000 Cu 0.309861 0.0299002 0.5 362 63.546 0.134365 -3.52315 63.546000 Cu 0.433711 0.0044026 0.5 363 63.546 0.026715 -3.53324 63.546000 Cu 0.421158 0.0316923 0.5 383 63.546 0.005889 -3.53622 63.546000 Cu 0.482792 0.0185379 5.008e-17 385 63.546 0.00996439 -3.53258 63.546000 Cu 0.592168 0.0200965 1 386 63.546 0.0947767 -3.53356 63.546000 Cu 0.544149 0.00507638 0.5 387 63.546 0.0574083 -3.52607 63.546000 Cu 0.53132 0.0331293 0.5 388 63.546 0.0267272 -3.53721 63.546000 Cu 0.652713 0.00758166 0.5 389 63.546 0.275379 -3.51538 63.546000 Cu 0.639956 0.0360414 0.5 417 63.546 0.0623199 -3.54008 63.546000 Cu 0.699461 0.0245133 1 419 63.546 0.0861563 -3.52102 63.546000 Cu 0.760021 0.0148846 0.5 421 63.546 0.520665 -3.46887 63.546000 Cu 0.748406 0.0413168 0.5 422 63.546 0.0883167 -3.51842 63.546000 Cu 0.809861 0.0299002 1 420 63.546 0.134365 -3.52315 63.546000 Cu 0.822465 0.00352599 1 331 63.546 0.443492 -3.4996 63.546000 Cu 0.933711 0.0044026 1.19809e-19 332 63.546 0.026715 -3.53324 63.546000 Cu 0.871964 0.0174803 0.5 333 63.546 0.0302264 -3.53307 63.546000 Cu 0.921158 0.0316923 1 337 63.546 0.005889 -3.53622 63.546000 Cu 0.982792 0.0185379 0.5 339 63.546 0.00996439 -3.53258 63.546000 Cu 0.018597 0.0609748 1 351 63.546 0.0132403 -3.54032 63.546000 Cu 0.127629 0.0640182 6.1342e-17 352 63.546 0.0181083 -3.54143 63.546000 Cu 0.0794758 0.0483173 0.5 353 63.546 0.0368728 -3.54123 63.546000 Cu 0.0670245 0.0762174 0.5 354 63.546 0.0138636 -3.54191 63.546000 Cu 0.187906 0.0522988 0.5 358 63.546 0.0140417 -3.53667 63.546000 Cu 0.176034 0.0798608 0.5 375 63.546 0.00333133 -3.53903 63.546000 Cu 0.359435 0.0444308 1 381 63.546 0.0219588 -3.53515 63.546000 Cu 0.236681 0.0682989 7.23644e-17 377 63.546 0.0194649 -3.53296 63.546000 Cu 0.347147 0.071499 1.26638e-16 378 63.546 0.0114444 -3.53652 63.546000 Cu 0.297847 0.0566389 0.5 379 63.546 0.0443374 -3.53143 63.546000 Cu 0.285853 0.0836456 0.5 380 63.546 0.0149825 -3.53553 63.546000 Cu 0.396249 0.0862819 0.5 409 63.546 0.00162712 -3.53862 63.546000 Cu 0.408582 0.0589772 0.5 384 63.546 0.00343546 -3.53746 63.546000 Cu 0.470036 0.0461505 1.10224e-17 382 63.546 0.00558724 -3.53756 63.546000 Cu 0.457478 0.0736888 2.39617e-19 411 63.546 0.00303725 -3.5394 63.546000 Cu 0.567024 0.0762174 1.52157e-17 412 63.546 0.0138636 -3.54191 63.546000 Cu 0.518597 0.0609748 0.5 413 63.546 0.0132403 -3.54032 63.546000 Cu 0.579476 0.0483173 1.19809e-19 415 63.546 0.0368728 -3.54123 63.546000 Cu 0.687906 0.0522988 0 416 63.546 0.0140417 -3.53667 63.546000 Cu 0.627629 0.0640182 0.5 418 63.546 0.0181083 -3.54143 63.546000 Cu 0.676034 0.0798608 1.19809e-19 451 63.546 0.00333133 -3.53903 63.546000 Cu 0.785853 0.0836456 1.22564e-16 452 63.546 0.0149825 -3.53553 63.546000 Cu 0.736681 0.0682989 0.5 453 63.546 0.0194649 -3.53296 63.546000 Cu 0.797847 0.0566389 1 455 63.546 0.0443374 -3.53143 63.546000 Cu 0.859435 0.0444308 0.5 335 63.546 0.0219588 -3.53515 63.546000 Cu 0.908582 0.0589772 1.19809e-19 334 63.546 0.00343546 -3.53746 63.546000 Cu 0.847147 0.071499 0.5 336 63.546 0.0114444 -3.53652 63.546000 Cu 0.970036 0.0461505 0.5 340 63.546 0.00558724 -3.53756 63.546000 Cu 0.896249 0.0862819 1 347 63.546 0.00162712 -3.53862 63.546000 Cu 0.957478 0.0736888 0.5 349 63.546 0.00303725 -3.5394 63.546000 Cu 0.103465 0.119358 1 370 63.546 0.00208446 -3.54071 63.546000 Cu 0.054771 0.103947 0.5 371 63.546 0.00454057 -3.54142 63.546000 Cu 0.11548 0.0917556 4.46886e-17 373 63.546 0.00576751 -3.54126 63.546000 Cu 0.164132 0.107349 0.5 376 63.546 0.000998982 -3.53959 63.546000 Cu 0.00617924 0.0886838 2.55192e-17 348 63.546 0.00547477 -3.54105 63.546000 Cu 0.213047 0.122815 7.66775e-17 403 63.546 0.00189981 -3.53852 63.546000 Cu 0.224869 0.0955078 2.39617e-19 374 63.546 0.00542215 -3.53702 63.546000 Cu 0.323067 0.125932 9.94412e-18 404 63.546 0.00177095 -3.53853 63.546000 Cu 0.273925 0.110818 0.5 405 63.546 0.00493951 -3.53738 63.546000 Cu 0.335001 0.0986714 0 407 63.546 0.00480973 -3.53773 63.546000 Cu 0.384071 0.113632 0.5 410 63.546 0.000805383 -3.53929 63.546000 Cu 0.445157 0.101188 1 408 63.546 0.00142778 -3.54015 63.546000 Cu 0.506179 0.0886838 0.5 414 63.546 0.00547477 -3.54105 63.546000 Cu 0.433076 0.128669 1 443 63.546 0.000661661 -3.54039 63.546000 Cu 0.493959 0.116289 0.5 445 63.546 0.00217262 -3.54095 63.546000 Cu 0.554771 0.103947 4.06151e-17 447 63.546 0.00454057 -3.54142 63.546000 Cu 0.603465 0.119358 0.5 450 63.546 0.00208446 -3.54071 63.546000 Cu 0.664132 0.107349 0 448 63.546 0.000998982 -3.53959 63.546000 Cu 0.61548 0.0917556 0.5 449 63.546 0.00576751 -3.54126 63.546000 Cu 0.724869 0.0955078 0.5 454 63.546 0.00542215 -3.53702 63.546000 Cu 0.713047 0.122815 0.5 485 63.546 0.00189981 -3.53852 63.546000 Cu 0.773925 0.110818 2.3147e-16 487 63.546 0.00493951 -3.53738 63.546000 Cu 0.884071 0.113632 0 344 63.546 0.000805383 -3.53929 63.546000 Cu 0.835001 0.0986714 0.5 345 63.546 0.00480973 -3.53773 63.546000 Cu 0.823067 0.125932 0.5 346 63.546 0.00177095 -3.53853 63.546000 Cu 0.945157 0.101188 0.5 350 63.546 0.00142778 -3.54015 63.546000 Cu 0.933076 0.128669 0.5 367 63.546 0.000661661 -3.54039 63.546000 Cu 0.993959 0.116289 1.19809e-19 369 63.546 0.00217262 -3.54095 63.546000 Cu 0.0428182 0.131555 0.5 372 63.546 0.00152015 -3.54091 63.546000 Cu 0.0312717 0.159091 0.5 397 63.546 0.000551635 -3.54064 63.546000 Cu 0.0918241 0.146894 1 399 63.546 0.000767124 -3.54046 63.546000 Cu 0.152384 0.134808 0.5 401 63.546 0.000443049 -3.53975 63.546000 Cu 0.141 0.162255 0.5 402 63.546 0.000156591 -3.53977 63.546000 Cu 0.201577 0.150188 0 400 63.546 0.000671053 -3.5392 63.546000 Cu 0.262223 0.138096 0.5 406 63.546 0.00165808 -3.53872 63.546000 Cu 0.250883 0.165453 0.5 437 63.546 0.000466081 -3.53919 63.546000 Cu 0.31157 0.153276 8.90178e-17 439 63.546 0.000549441 -3.53943 63.546000 Cu 0.37227 0.141013 0.5 441 63.546 0.000383179 -3.53977 63.546000 Cu 0.360859 0.168448 0.5 442 63.546 0.000214309 -3.54006 63.546000 Cu 0.421495 0.156149 1 440 63.546 0.000145222 -3.54041 63.546000 Cu 0.542818 0.131555 2.39617e-19 444 63.546 0.00152015 -3.54091 63.546000 Cu 0.482152 0.143831 0.5 446 63.546 0.000816295 -3.54073 63.546000 Cu 0.470717 0.17135 0.5 477 63.546 0.000278178 -3.54051 63.546000 Cu 0.531272 0.159091 1 479 63.546 0.000551635 -3.54064 63.546000 Cu 0.591824 0.146894 0.5 481 63.546 0.000767124 -3.54046 63.546000 Cu 0.641 0.162255 1 480 63.546 0.000156591 -3.53977 63.546000 Cu 0.652384 0.134808 0 483 63.546 0.000443049 -3.53975 63.546000 Cu 0.762223 0.138096 1 484 63.546 0.00165808 -3.53872 63.546000 Cu 0.701577 0.150188 0.5 486 63.546 0.000671053 -3.5392 63.546000 Cu 0.750883 0.165453 1 519 63.546 0.000466081 -3.53919 63.546000 Cu 0.81157 0.153276 0.5 520 63.546 0.000549441 -3.53943 63.546000 Cu 0.860859 0.168448 1.15376e-16 364 63.546 0.000214309 -3.54006 63.546000 Cu 0.87227 0.141013 1 365 63.546 0.000383179 -3.53977 63.546000 Cu 0.982152 0.143831 1 366 63.546 0.000816295 -3.54073 63.546000 Cu 0.921495 0.156149 0.5 368 63.546 0.000145222 -3.54041 63.546000 Cu 0.970717 0.17135 1.19809e-19 395 63.546 0.000278178 -3.54051 63.546000 Cu 0.0804706 0.174396 6.05034e-17 396 63.546 0.000293257 -3.54024 63.546000 Cu 0.0198673 0.186604 0.5 398 63.546 0.000376779 -3.54041 63.546000 Cu 0.0688037 0.201879 3.23483e-18 431 63.546 0.000118319 -3.54026 63.546000 Cu 0.178595 0.20499 1 432 63.546 6.09478e-05 -3.53984 63.546000 Cu 0.129598 0.189698 0.5 433 63.546 0.000233255 -3.53989 63.546000 Cu 0.117744 0.217148 0.5 434 63.546 8.12356e-05 -3.53998 63.546000 Cu 0.190254 0.177574 0 435 63.546 0.000196554 -3.53931 63.546000 Cu 0.00795672 0.2141 0.5 429 63.546 4.41985e-05 -3.54038 63.546000 Cu 0.300172 0.180666 1.21726e-16 436 63.546 0.000287458 -3.5396 63.546000 Cu 0.239451 0.192837 0.5 438 63.546 0.000279967 -3.53952 63.546000 Cu 0.288425 0.208081 1 471 63.546 0.000102931 -3.53974 63.546000 Cu 0.398225 0.211101 0 472 63.546 5.30723e-05 -3.54009 63.546000 Cu 0.349289 0.195885 0.5 473 63.546 0.000245934 -3.53985 63.546000 Cu 0.580471 0.174396 0.5 482 63.546 0.000293257 -3.54024 63.546000 Cu 0.410082 0.183628 0 475 63.546 0.000234697 -3.54028 63.546000 Cu 0.519867 0.186604 1 476 63.546 0.000376779 -3.54041 63.546000 Cu 0.459068 0.198847 0.5 478 63.546 0.000126213 -3.5403 63.546000 Cu 0.507957 0.2141 1.17532e-16 511 63.546 4.41985e-05 -3.54038 63.546000 Cu 0.568804 0.201879 0.5 513 63.546 0.000118319 -3.54026 63.546000 Cu 0.617744 0.217148 6.56552e-17 512 63.546 8.12356e-05 -3.53998 63.546000 Cu 0.629598 0.189698 1.31071e-16 515 63.546 0.000233255 -3.53989 63.546000 Cu 0.739451 0.192837 1 516 63.546 0.000279967 -3.53952 63.546000 Cu 0.690254 0.177574 0.5 517 63.546 0.000196554 -3.53931 63.546000 Cu 0.678595 0.20499 0.5 518 63.546 6.09478e-05 -3.53984 63.546000 Cu 0.788425 0.208081 0.5 552 63.546 0.000102931 -3.53974 63.546000 Cu 0.800172 0.180666 0.5 521 63.546 0.000287458 -3.5396 63.546000 Cu 0.849289 0.195885 0 391 63.546 0.000245934 -3.53985 63.546000 Cu 0.959068 0.198847 1 392 63.546 0.000126213 -3.5403 63.546000 Cu 0.910082 0.183628 0.5 393 63.546 0.000234697 -3.54028 63.546000 Cu 0.898225 0.211101 0.5 394 63.546 5.30723e-05 -3.54009 63.546000 Cu 0.0568925 0.229344 1 428 63.546 0.000139717 -3.54019 63.546000 Cu 0.0446839 0.256792 1.02556e-16 463 63.546 0.000127807 -3.54005 63.546000 Cu 0.15447 0.259808 0 464 63.546 0.000202216 -3.5397 63.546000 Cu 0.105678 0.244577 0.5 465 63.546 7.52039e-05 -3.53981 63.546000 Cu 0.166669 0.232404 8.86584e-18 467 63.546 0.000109844 -3.53937 63.546000 Cu 0.215423 0.247653 0.5 470 63.546 5.01968e-05 -3.53942 63.546000 Cu 0.276393 0.235504 1 468 63.546 3.89945e-05 -3.53964 63.546000 Cu 0.227547 0.220251 0.5 469 63.546 5.29282e-05 -3.53959 63.546000 Cu 0.337343 0.223323 0.5 474 63.546 9.35836e-05 -3.54004 63.546000 Cu 0.325197 0.250756 0.5 505 63.546 0.000104852 -3.5398 63.546000 Cu 0.386176 0.238564 2.3806e-16 507 63.546 5.20243e-05 -3.54011 63.546000 Cu 0.495904 0.241575 1.19809e-19 508 63.546 1.22603e-05 -3.54017 63.546000 Cu 0.447123 0.226336 0.5 509 63.546 6.25025e-05 -3.54035 63.546000 Cu 0.43495 0.253804 0.5 510 63.546 0.00010819 -3.54014 63.546000 Cu 0.556892 0.229344 0.5 514 63.546 0.000139717 -3.54019 63.546000 Cu 0.544684 0.256792 0.5 545 63.546 0.000127807 -3.54005 63.546000 Cu 0.605678 0.244577 1 547 63.546 7.52039e-05 -3.53981 63.546000 Cu 0.715423 0.247653 0 548 63.546 5.01968e-05 -3.53942 63.546000 Cu 0.666669 0.232404 0.5 549 63.546 0.000109844 -3.53937 63.546000 Cu 0.65447 0.259808 0.5 550 63.546 0.000202216 -3.5397 63.546000 Cu 0.727547 0.220251 0 551 63.546 5.29282e-05 -3.53959 63.546000 Cu 0.776393 0.235504 0.5 553 63.546 3.89945e-05 -3.53964 63.546000 Cu 0.837343 0.223323 1 390 63.546 9.35836e-05 -3.54004 63.546000 Cu 0.825197 0.250756 1 423 63.546 0.000104852 -3.5398 63.546000 Cu 0.93495 0.253804 1.51558e-16 424 63.546 0.00010819 -3.54014 63.546000 Cu 0.886176 0.238564 0.5 425 63.546 5.20243e-05 -3.54011 63.546000 Cu 0.947123 0.226336 1.27476e-16 427 63.546 6.25025e-05 -3.54035 63.546000 Cu 0.995904 0.241575 0.5 430 63.546 1.22603e-05 -3.54017 63.546000 Cu 0.0327878 0.284253 1 460 63.546 7.13119e-05 -3.54011 63.546000 Cu 0.093602 0.272006 0.5 466 63.546 0.000147228 -3.53982 63.546000 Cu 0.0818106 0.299437 0.5 497 63.546 0.000289452 -3.53986 63.546000 Cu 0.142582 0.287209 1 499 63.546 0.000449458 -3.53949 63.546000 Cu 0.191793 0.302427 0.5 502 63.546 0.000589196 -3.53925 63.546000 Cu 0.203452 0.275048 0.5 501 63.546 0.000167096 -3.53964 63.546000 Cu 0.252517 0.290317 1 500 63.546 0.000188228 -3.53953 63.546000 Cu 0.264329 0.262915 2.44529e-16 503 63.546 5.58188e-05 -3.53972 63.546000 Cu 0.374104 0.266012 0 504 63.546 0.00011036 -3.54015 63.546000 Cu 0.3133 0.278184 0.5 506 63.546 0.000101021 -3.5399 63.546000 Cu 0.362281 0.293482 1.22564e-16 539 63.546 0.000306259 -3.54032 63.546000 Cu 0.472006 0.296526 0 540 63.546 0.000315895 -3.54045 63.546000 Cu 0.423039 0.281285 0.5 541 63.546 0.000248157 -3.5405 63.546000 Cu 0.483854 0.269038 1 543 63.546 6.28282e-05 -3.54029 63.546000 Cu 0.593602 0.272006 0 544 63.546 0.000147228 -3.53982 63.546000 Cu 0.532788 0.284253 0.5 546 63.546 7.13119e-05 -3.54011 63.546000 Cu 0.581811 0.299437 8.8299e-17 579 63.546 0.000289452 -3.53986 63.546000 Cu 0.691793 0.302427 9.23725e-17 580 63.546 0.000589196 -3.53925 63.546000 Cu 0.642582 0.287209 0.5 581 63.546 0.000449458 -3.53949 63.546000 Cu 0.703452 0.275048 1 583 63.546 0.000167096 -3.53964 63.546000 Cu 0.764329 0.262915 0.5 585 63.546 5.58188e-05 -3.53972 63.546000 Cu 0.752517 0.290317 0.5 586 63.546 0.000188228 -3.53953 63.546000 Cu 0.8133 0.278184 1 584 63.546 0.000101021 -3.5399 63.546000 Cu 0.874104 0.266012 0.5 426 63.546 0.00011036 -3.54015 63.546000 Cu 0.862281 0.293482 0.5 457 63.546 0.000306259 -3.54032 63.546000 Cu 0.923039 0.281285 1 459 63.546 0.000248157 -3.5405 63.546000 Cu 0.983854 0.269038 0.5 461 63.546 6.28282e-05 -3.54029 63.546000 Cu 0.972006 0.296526 0.5 462 63.546 0.000315895 -3.54045 63.546000 Cu 0.0211307 0.311723 1 495 63.546 0.000178975 -3.54028 63.546000 Cu 0.131097 0.314588 1.19809e-19 496 63.546 0.00080304 -3.53953 63.546000 Cu 0.0703606 0.326859 0.5 498 63.546 0.000271338 -3.53982 63.546000 Cu 0.119742 0.341941 1.05312e-16 531 63.546 0.00177263 -3.53886 63.546000 Cu 0.180451 0.329776 0.5 533 63.546 0.00171078 -3.5387 63.546000 Cu 0.00966369 0.339198 1 492 63.546 0.000471205 -3.54025 63.546000 Cu 0.22974 0.345078 1 532 63.546 0.00130194 -3.53842 63.546000 Cu 0.241114 0.317708 1 535 63.546 0.000415838 -3.53915 63.546000 Cu 0.350862 0.320983 4.31311e-17 536 63.546 0.000631578 -3.54041 63.546000 Cu 0.301675 0.30563 0.5 537 63.546 0.000188606 -3.53982 63.546000 Cu 0.290317 0.333079 0.5 538 63.546 0.000305156 -3.53982 63.546000 Cu 0.39994 0.336329 0.5 573 63.546 0.00164128 -3.54093 63.546000 Cu 0.411379 0.308785 0.5 542 63.546 0.000572541 -3.54055 63.546000 Cu 0.460511 0.324036 0 575 63.546 0.000629978 -3.54051 63.546000 Cu 0.570361 0.326859 1 576 63.546 0.000271338 -3.53982 63.546000 Cu 0.521131 0.311723 0.5 577 63.546 0.000178975 -3.54028 63.546000 Cu 0.509664 0.339198 0.5 578 63.546 0.000471205 -3.54025 63.546000 Cu 0.631097 0.314588 0.5 582 63.546 0.00080304 -3.53953 63.546000 Cu 0.619742 0.341941 0.5 611 63.546 0.00177263 -3.53886 63.546000 Cu 0.680451 0.329776 1 613 63.546 0.00171078 -3.5387 63.546000 Cu 0.790317 0.333079 1 614 63.546 0.000305156 -3.53982 63.546000 Cu 0.741114 0.317708 0.5 615 63.546 0.000415838 -3.53915 63.546000 Cu 0.72974 0.345078 0.5 616 63.546 0.00130194 -3.53842 63.546000 Cu 0.801675 0.30563 1 617 63.546 0.000188606 -3.53982 63.546000 Cu 0.911379 0.308785 1 456 63.546 0.000572541 -3.54055 63.546000 Cu 0.850862 0.320983 0.5 458 63.546 0.000631578 -3.54041 63.546000 Cu 0.89994 0.336329 6.58948e-17 491 63.546 0.00164128 -3.54093 63.546000 Cu 0.960511 0.324036 0.5 493 63.546 0.000629978 -3.54051 63.546000 Cu 0.108311 0.369236 0 528 63.546 0.00425009 -3.5382 63.546000 Cu 0.0589611 0.35425 0.5 529 63.546 0.000638441 -3.53957 63.546000 Cu 0.0472727 0.381604 0.5 530 63.546 0.00177787 -3.53908 63.546000 Cu 0.169154 0.357079 0.5 534 63.546 0.00472917 -3.5377 63.546000 Cu 0.157676 0.384284 0.5 565 63.546 0.0129016 -3.53556 63.546000 Cu 0.339427 0.348517 1.78635e-16 571 63.546 0.00173197 -3.54073 63.546000 Cu 0.218489 0.37241 1 567 63.546 0.00452224 -3.53699 63.546000 Cu 0.327948 0.376119 1 568 63.546 0.00504747 -3.54097 63.546000 Cu 0.278994 0.360541 0.5 569 63.546 0.00089674 -3.53943 63.546000 Cu 0.267578 0.388032 0.5 570 63.546 0.00333399 -3.53891 63.546000 Cu 0.388396 0.363936 0.5 574 63.546 0.00483249 -3.54133 63.546000 Cu 0.448997 0.351582 1 572 63.546 0.00193403 -3.54103 63.546000 Cu 0.437292 0.379189 1 605 63.546 0.00511824 -3.54114 63.546000 Cu 0.547273 0.381604 0 606 63.546 0.00177787 -3.53908 63.546000 Cu 0.498095 0.366678 0.5 607 63.546 0.00110387 -3.54037 63.546000 Cu 0.558961 0.35425 0 609 63.546 0.000638441 -3.53957 63.546000 Cu 0.608311 0.369236 0.5 612 63.546 0.00425009 -3.5382 63.546000 Cu 0.669154 0.357079 9.50083e-17 610 63.546 0.00472917 -3.5377 63.546000 Cu 0.657676 0.384284 4.18132e-17 635 63.546 0.0129016 -3.53556 63.546000 Cu 0.767578 0.388032 0 636 63.546 0.00333399 -3.53891 63.546000 Cu 0.718489 0.37241 0.5 637 63.546 0.00452224 -3.53699 63.546000 Cu 0.778994 0.360541 1 639 63.546 0.00089674 -3.53943 63.546000 Cu 0.839427 0.348517 0.5 489 63.546 0.00173197 -3.54073 63.546000 Cu 0.888396 0.363936 2.10025e-16 488 63.546 0.00483249 -3.54133 63.546000 Cu 0.827948 0.376119 0.5 490 63.546 0.00504747 -3.54097 63.546000 Cu 0.948997 0.351582 0.5 494 63.546 0.00193403 -3.54103 63.546000 Cu 0.937292 0.379189 0.5 525 63.546 0.00511824 -3.54114 63.546000 Cu 0.998095 0.366678 2.23683e-16 527 63.546 0.00110387 -3.54037 63.546000 Cu 0.0847022 0.423489 1 560 63.546 0.0208025 -3.53494 63.546000 Cu 0.0353758 0.408939 0.5 561 63.546 0.00332327 -3.53821 63.546000 Cu 0.0965951 0.396427 6.28996e-17 563 63.546 0.0103824 -3.53678 63.546000 Cu 0.146151 0.411286 0.5 566 63.546 0.0418603 -3.5308 63.546000 Cu 0.195783 0.426571 0 597 63.546 0.0891178 -3.51779 63.546000 Cu 0.376647 0.391656 0.5 603 63.546 0.0135016 -3.54185 63.546000 Cu 0.2071 0.399611 1.03515e-16 564 63.546 0.0188241 -3.53237 63.546000 Cu 0.304251 0.431817 1.22325e-16 598 63.546 0.0611598 -3.54003 63.546000 Cu 0.256131 0.415585 0.5 599 63.546 0.0143737 -3.53628 63.546000 Cu 0.316219 0.40385 0 601 63.546 0.0169421 -3.5415 63.546000 Cu 0.364581 0.419542 0.5 604 63.546 0.0349705 -3.54145 63.546000 Cu 0.412896 0.434723 1 627 63.546 0.0243949 -3.53778 63.546000 Cu 0.425324 0.406889 1.18371e-16 602 63.546 0.0116253 -3.54074 63.546000 Cu 0.486263 0.394194 0.5 608 63.546 0.00251858 -3.54 63.546000 Cu 0.474073 0.421745 0.5 629 63.546 0.00563411 -3.53843 63.546000 Cu 0.535376 0.408939 8.94971e-17 631 63.546 0.00332327 -3.53821 63.546000 Cu 0.596595 0.396427 0.5 633 63.546 0.0103824 -3.53678 63.546000 Cu 0.584702 0.423489 0.5 634 63.546 0.0208025 -3.53494 63.546000 Cu 0.646151 0.411286 0 632 63.546 0.0418603 -3.5308 63.546000 Cu 0.7071 0.399611 0.5 638 63.546 0.0188241 -3.53237 63.546000 Cu 0.695783 0.426571 0.5 650 63.546 0.0891178 -3.51779 63.546000 Cu 0.756131 0.415585 2.39617e-19 652 63.546 0.0143737 -3.53628 63.546000 Cu 0.876647 0.391656 2.39617e-19 523 63.546 0.0135016 -3.54185 63.546000 Cu 0.816219 0.40385 0.5 653 63.546 0.0169421 -3.5415 63.546000 Cu 0.804251 0.431817 0.5 654 63.546 0.0611598 -3.54003 63.546000 Cu 0.864581 0.419542 1.51318e-16 522 63.546 0.0349705 -3.54145 63.546000 Cu 0.986263 0.394194 0 524 63.546 0.00251858 -3.54 63.546000 Cu 0.925324 0.406889 0.5 526 63.546 0.0116253 -3.54074 63.546000 Cu 0.912896 0.434723 0.5 557 63.546 0.0243949 -3.53778 63.546000 Cu 0.974073 0.421745 1.21366e-16 559 63.546 0.00563411 -3.53843 63.546000 Cu 0.0230788 0.436223 0.5 562 63.546 0.00557261 -3.53635 63.546000 Cu 0.0723552 0.450403 1 593 63.546 0.0304411 -3.53275 63.546000 Cu 0.184337 0.453001 1.22085e-16 594 63.546 0.51016 -3.46854 63.546000 Cu 0.134457 0.437998 0.5 595 63.546 0.132593 -3.52274 63.546000 Cu 0.121967 0.464355 0.5 596 63.546 0.435115 -3.49889 63.546000 Cu 0.0106561 0.463487 0.5 591 63.546 0.0249316 -3.533 63.546000 Cu 0.0608906 0.477321 0 590 63.546 0.112972 -3.53416 63.546000 Cu 0.244861 0.443347 0.5 600 63.546 0.0845538 -3.5215 63.546000 Cu 0.233979 0.471803 0.5 621 63.546 5.53444 -3.42431 63.546000 Cu 0.2917 0.460262 1 623 63.546 0.271757 -3.51656 63.546000 Cu 0.352153 0.447745 0.5 625 63.546 0.0914258 -3.53412 63.546000 Cu 0.339552 0.476521 0.5 626 63.546 0.350651 -3.50135 63.546000 Cu 0.400278 0.462754 2.18411e-16 624 63.546 0.0521136 -3.52661 63.546000 Cu 0.523079 0.436223 1 628 63.546 0.00557261 -3.53635 63.546000 Cu 0.46152 0.449341 0.5 630 63.546 0.0101009 -3.53324 63.546000 Cu 0.450158 0.477017 0.5 643 63.546 0.0922084 -3.53256 63.546000 Cu 0.510656 0.463487 1.97205e-16 644 63.546 0.0249316 -3.533 63.546000 Cu 0.572355 0.450403 0.5 646 63.546 0.0304411 -3.53275 63.546000 Cu 0.560891 0.477321 0.5 647 63.546 0.112972 -3.53416 63.546000 Cu 0.7917 0.460262 0.5 16 63.546 0.271757 -3.51656 63.546000 Cu 0.733979 0.471803 0 34 63.546 5.53444 -3.42431 63.546000 Cu 0.621967 0.464355 1 645 63.546 0.435115 -3.49889 63.546000 Cu 0.634457 0.437998 1.36822e-16 648 63.546 0.132593 -3.52274 63.546000 Cu 0.744861 0.443347 2.7556e-18 649 63.546 0.0845538 -3.5215 63.546000 Cu 0.684337 0.453001 0.5 651 63.546 0.51016 -3.46854 63.546000 Cu 0.839552 0.476521 1.22325e-16 554 63.546 0.350651 -3.50135 63.546000 Cu 0.852153 0.447745 2.39617e-19 555 63.546 0.0914258 -3.53412 63.546000 Cu 0.96152 0.449341 1.19809e-19 556 63.546 0.0101009 -3.53324 63.546000 Cu 0.900278 0.462754 0.5 558 63.546 0.0521136 -3.52661 63.546000 Cu 0.950158 0.477017 1 589 63.546 0.0922084 -3.53256 63.546000 Cu 0.060697 0.50435 1.23403e-17 1 63.546 0.127401 -3.5344 63.546000 Cu 0.121893 0.517332 0.5 2 63.546 0.453037 -3.49808 63.546000 Cu 0.0105949 0.518203 0.5 6 63.546 0.0298436 -3.53263 63.546000 Cu 0.170643 0.503315 1 58 63.546 7.17032 -3.25857 63.546000 Cu 0.115016 0.49084 0.5 618 63.546 3.24577 -3.47151 63.546000 Cu 0.170863 0.478395 1 619 63.546 7.18521 -3.26179 63.546000 Cu 0.00376621 0.490833 0.5 592 63.546 0.12838 -3.54412 63.546000 Cu 0.233884 0.509768 0.5 622 63.546 5.51367 -3.42426 63.546000 Cu 0.275959 0.490804 0 620 63.546 4.5334 -3.53019 63.546000 Cu 0.339489 0.505051 0.5 640 63.546 0.362234 -3.50136 63.546000 Cu 0.391663 0.490802 0 641 63.546 0.256249 -3.52518 63.546000 Cu 0.291635 0.52131 1 61 63.546 0.281318 -3.51723 63.546000 Cu 0.560697 0.50435 0.5 15 63.546 0.127401 -3.5344 63.546000 Cu 0.400183 0.518842 0 32 63.546 0.0594663 -3.526 63.546000 Cu 0.450099 0.504633 0.5 33 63.546 0.0956847 -3.53222 63.546000 Cu 0.510595 0.518203 1 35 63.546 0.0298436 -3.53263 63.546000 Cu 0.503766 0.490833 0 642 63.546 0.12838 -3.54412 63.546000 Cu 0.615016 0.49084 0 330 63.546 3.24577 -3.47151 63.546000 Cu 0.775959 0.490804 0.5 3 63.546 4.5334 -3.53019 63.546000 Cu 0.621893 0.517332 3.59426e-19 13 63.546 0.453037 -3.49808 63.546000 Cu 0.670643 0.503315 0.5 14 63.546 7.17032 -3.25857 63.546000 Cu 0.670863 0.478395 0.5 60 63.546 7.18521 -3.26179 63.546000 Cu 0.733884 0.509768 1 323 63.546 5.51367 -3.42426 63.546000 Cu 0.791635 0.52131 0.5 18 63.546 0.281318 -3.51723 63.546000 Cu 0.950099 0.504633 1.1885e-16 4 63.546 0.0956847 -3.53222 63.546000 Cu 0.900183 0.518842 0.5 7 63.546 0.0594663 -3.526 63.546000 Cu 0.839489 0.505051 1.27357e-16 587 63.546 0.362234 -3.50136 63.546000 Cu 0.891663 0.490802 0.5 588 63.546 0.256249 -3.52518 63.546000 Cu 0.0725023 0.53126 1.19809e-19 8 63.546 0.0304355 -3.53229 63.546000 Cu 0.0854074 0.558164 7.63181e-17 9 63.546 0.0219673 -3.5345 63.546000 Cu 0.134786 0.543672 0.5 10 63.546 0.13929 -3.52246 63.546000 Cu 0.0234992 0.545435 0.5 11 63.546 0.00597082 -3.53545 63.546000 Cu 0.184397 0.528664 1 59 63.546 0.531898 -3.46661 63.546000 Cu 0.196433 0.555063 1.03155e-16 92 63.546 0.0934642 -3.51798 63.546000 Cu 0.304738 0.549737 1 62 63.546 0.0672051 -3.54066 63.546000 Cu 0.352314 0.533823 0.5 63 63.546 0.0975636 -3.53389 63.546000 Cu 0.245078 0.53825 0.5 64 63.546 0.0866366 -3.52182 63.546000 Cu 0.365435 0.56201 0.5 68 63.546 0.0385274 -3.54159 63.546000 Cu 0.523499 0.545435 1 36 63.546 0.00597082 -3.53545 63.546000 Cu 0.572502 0.53126 0.5 37 63.546 0.0304355 -3.53229 63.546000 Cu 0.461643 0.532301 0.5 38 63.546 0.0110103 -3.53187 63.546000 Cu 0.413395 0.546861 1 65 63.546 0.0256859 -3.53702 63.546000 Cu 0.474878 0.559881 0.5 67 63.546 0.00511806 -3.53727 63.546000 Cu 0.585407 0.558164 0.5 42 63.546 0.0219673 -3.5345 63.546000 Cu 0.745078 0.53825 1.19809e-19 17 63.546 0.0866366 -3.52182 63.546000 Cu 0.684397 0.528664 0.5 19 63.546 0.531898 -3.46661 63.546000 Cu 0.634786 0.543672 1 39 63.546 0.13929 -3.52246 63.546000 Cu 0.696433 0.555063 0.5 41 63.546 0.0934642 -3.51798 63.546000 Cu 0.961643 0.532301 1 5 63.546 0.0110103 -3.53187 63.546000 Cu 0.852314 0.533823 3.59426e-19 20 63.546 0.0975636 -3.53389 63.546000 Cu 0.865435 0.56201 1 21 63.546 0.0385274 -3.54159 63.546000 Cu 0.913395 0.546861 0.5 22 63.546 0.0256859 -3.53702 63.546000 Cu 0.804738 0.549737 0.5 23 63.546 0.0672051 -3.54066 63.546000 Cu 0.974878 0.559881 3.59426e-19 24 63.546 0.00511806 -3.53727 63.546000 Cu 0.147231 0.570356 0.5 12 63.546 0.0456739 -3.5308 63.546000 Cu 0.0365485 0.57269 0.5 26 63.546 0.00357883 -3.53714 63.546000 Cu 0.0983129 0.585196 6.889e-17 28 63.546 0.0117587 -3.53624 63.546000 Cu 0.159985 0.59732 0.5 30 63.546 0.0151074 -3.53527 63.546000 Cu 0.0497288 0.599977 0.5 31 63.546 0.00181042 -3.53825 63.546000 Cu 0.20865 0.581983 2.04154e-16 93 63.546 0.019563 -3.53283 63.546000 Cu 0.257082 0.56599 0.5 94 63.546 0.0149334 -3.53693 63.546000 Cu 0.317614 0.577684 2.99522e-17 95 63.546 0.0198827 -3.54202 63.546000 Cu 0.330612 0.605379 1 96 63.546 0.00674546 -3.54158 63.546000 Cu 0.378598 0.589882 0.5 97 63.546 0.0143304 -3.54185 63.546000 Cu 0.269658 0.59351 0.5 98 63.546 0.00342075 -3.5395 63.546000 Cu 0.426579 0.574676 1 66 63.546 0.0128352 -3.53998 63.546000 Cu 0.536549 0.57269 0 69 63.546 0.00357883 -3.53714 63.546000 Cu 0.549729 0.599977 1 70 63.546 0.00181042 -3.53825 63.546000 Cu 0.488066 0.587389 0.5 72 63.546 0.00271413 -3.5389 63.546000 Cu 0.43988 0.602353 1 99 63.546 0.0049935 -3.54071 63.546000 Cu 0.598313 0.585196 0.5 71 63.546 0.0117587 -3.53624 63.546000 Cu 0.647231 0.570356 1 40 63.546 0.0456739 -3.5308 63.546000 Cu 0.757082 0.56599 6.34986e-17 43 63.546 0.0149334 -3.53693 63.546000 Cu 0.769658 0.59351 7.66775e-17 44 63.546 0.00342075 -3.5395 63.546000 Cu 0.70865 0.581983 0.5 46 63.546 0.019563 -3.53283 63.546000 Cu 0.659985 0.59732 1 73 63.546 0.0151074 -3.53527 63.546000 Cu 0.988066 0.587389 0 25 63.546 0.00271413 -3.5389 63.546000 Cu 0.926579 0.574676 0.5 27 63.546 0.0128352 -3.53998 63.546000 Cu 0.817614 0.577684 0.5 45 63.546 0.0198827 -3.54202 63.546000 Cu 0.878598 0.589882 3.92972e-17 47 63.546 0.0143304 -3.54185 63.546000 Cu 0.93988 0.602353 0.5 49 63.546 0.0049935 -3.54071 63.546000 Cu 0.830612 0.605379 0.5 50 63.546 0.00674546 -3.54158 63.546000 Cu 0.111405 0.612348 1.10224e-17 29 63.546 0.00532115 -3.53758 63.546000 Cu 0.00134188 0.614862 0 51 63.546 0.00117221 -3.5397 63.546000 Cu 0.0145984 0.642311 6.75721e-17 52 63.546 0.000519684 -3.53975 63.546000 Cu 0.0628923 0.627294 0.5 53 63.546 0.000838004 -3.53893 63.546000 Cu 0.12451 0.639587 1 55 63.546 0.00231878 -3.53839 63.546000 Cu 0.17293 0.624468 0.5 127 63.546 0.00530507 -3.53763 63.546000 Cu 0.186111 0.651701 0.5 157 63.546 0.00171237 -3.53841 63.546000 Cu 0.221354 0.609149 1 124 63.546 0.00500561 -3.53716 63.546000 Cu 0.23441 0.636425 0 125 63.546 0.00164765 -3.53885 63.546000 Cu 0.282579 0.620959 0.5 126 63.546 0.00107035 -3.54013 63.546000 Cu 0.343813 0.632955 2.04873e-17 128 63.546 0.00245151 -3.54092 63.546000 Cu 0.295734 0.648388 0.5 131 63.546 0.000530172 -3.53995 63.546000 Cu 0.391806 0.617562 0.5 102 63.546 0.00549372 -3.54144 63.546000 Cu 0.453134 0.629931 1 100 63.546 0.00184648 -3.54043 63.546000 Cu 0.501342 0.614862 0.5 101 63.546 0.00117221 -3.5397 63.546000 Cu 0.562892 0.627294 1.35863e-16 103 63.546 0.000838004 -3.53893 63.546000 Cu 0.514598 0.642311 0.5 106 63.546 0.000519684 -3.53975 63.546000 Cu 0.405058 0.64515 0.5 130 63.546 0.00184135 -3.54062 63.546000 Cu 0.67293 0.624468 5.3195e-17 74 63.546 0.00530507 -3.53763 63.546000 Cu 0.721354 0.609149 0.5 75 63.546 0.00500561 -3.53716 63.546000 Cu 0.611405 0.612348 0.5 76 63.546 0.00532115 -3.53758 63.546000 Cu 0.73441 0.636425 0.5 80 63.546 0.00164765 -3.53885 63.546000 Cu 0.62451 0.639587 0.5 105 63.546 0.00231878 -3.53839 63.546000 Cu 0.782579 0.620959 2.30152e-16 77 63.546 0.00107035 -3.54013 63.546000 Cu 0.795734 0.648388 0 78 63.546 0.000530172 -3.53995 63.546000 Cu 0.686111 0.651701 2.4441e-16 107 63.546 0.00171237 -3.53841 63.546000 Cu 0.891806 0.617562 2.16854e-16 48 63.546 0.00549372 -3.54144 63.546000 Cu 0.953134 0.629931 0.5 54 63.546 0.00184648 -3.54043 63.546000 Cu 0.843813 0.632955 0.5 79 63.546 0.00245151 -3.54092 63.546000 Cu 0.905058 0.64515 0 81 63.546 0.00184135 -3.54062 63.546000 Cu 0.137728 0.666868 1.25799e-17 56 63.546 0.00104001 -3.53907 63.546000 Cu 0.0762077 0.654633 0.5 57 63.546 0.000401027 -3.53925 63.546000 Cu 0.0278597 0.669729 2.39617e-19 85 63.546 0.000340604 -3.5403 63.546000 Cu 0.0891479 0.682006 0.5 87 63.546 0.000263404 -3.54003 63.546000 Cu 0.150344 0.694229 1 89 63.546 0.000301287 -3.53952 63.546000 Cu 0.199005 0.679019 0.5 161 63.546 0.000603267 -3.53911 63.546000 Cu 0.356919 0.660476 0 129 63.546 0.000786429 -3.54051 63.546000 Cu 0.24748 0.663756 1.22325e-16 158 63.546 0.000715392 -3.53911 63.546000 Cu 0.260135 0.691139 0 159 63.546 0.000232311 -3.53951 63.546000 Cu 0.308618 0.675835 0.5 160 63.546 0.00014692 -3.53998 63.546000 Cu 0.369776 0.687949 1 162 63.546 0.000335636 -3.54043 63.546000 Cu 0.576208 0.654633 1 104 63.546 0.000401027 -3.53925 63.546000 Cu 0.466421 0.657444 1 132 63.546 0.000676039 -3.54037 63.546000 Cu 0.479391 0.6849 0 133 63.546 0.000366061 -3.54035 63.546000 Cu 0.52786 0.669729 0.5 134 63.546 0.000340604 -3.5403 63.546000 Cu 0.418136 0.672658 0.5 135 63.546 0.000771401 -3.54054 63.546000 Cu 0.589148 0.682006 1 136 63.546 0.000263404 -3.54003 63.546000 Cu 0.699005 0.679019 1 108 63.546 0.000603267 -3.53911 63.546000 Cu 0.74748 0.663756 0.5 109 63.546 0.000715392 -3.53911 63.546000 Cu 0.637728 0.666868 0.5 110 63.546 0.00104001 -3.53907 63.546000 Cu 0.760135 0.691139 0.5 114 63.546 0.000232311 -3.53951 63.546000 Cu 0.650344 0.694229 0.5 138 63.546 0.000301287 -3.53952 63.546000 Cu 0.918136 0.672658 2.39617e-19 82 63.546 0.000771401 -3.54054 63.546000 Cu 0.966421 0.657444 0.5 83 63.546 0.000676039 -3.54037 63.546000 Cu 0.856919 0.660476 0.5 84 63.546 0.000786429 -3.54051 63.546000 Cu 0.979391 0.6849 0.5 88 63.546 0.000366061 -3.54035 63.546000 Cu 0.808618 0.675835 1.32149e-16 111 63.546 0.00014692 -3.53998 63.546000 Cu 0.869776 0.687949 0.5 113 63.546 0.000335636 -3.54043 63.546000 Cu 0.0405993 0.697178 1 86 63.546 0.000104945 -3.54014 63.546000 Cu 0.162723 0.721616 1 90 63.546 0.000103835 -3.53956 63.546000 Cu 0.101696 0.709429 0.5 91 63.546 0.000217499 -3.53992 63.546000 Cu 0.0529987 0.724647 1 119 63.546 0.000116628 -3.5402 63.546000 Cu 0.113999 0.736865 0.5 121 63.546 0.00028085 -3.53985 63.546000 Cu 0.382315 0.715405 0 163 63.546 0.000141457 -3.54039 63.546000 Cu 0.321273 0.703257 0.5 165 63.546 0.000174453 -3.54014 63.546000 Cu 0.211477 0.70638 0.5 190 63.546 7.79374e-05 -3.53937 63.546000 Cu 0.27255 0.718517 1 191 63.546 2.49191e-05 -3.53966 63.546000 Cu 0.333626 0.730672 0.5 193 63.546 7.87612e-05 -3.53982 63.546000 Cu 0.223808 0.733751 0.5 194 63.546 4.81868e-05 -3.53951 63.546000 Cu 0.540599 0.697178 0.5 139 63.546 0.000104945 -3.54014 63.546000 Cu 0.430944 0.70013 0.5 164 63.546 0.000513566 -3.54041 63.546000 Cu 0.492022 0.712372 0 166 63.546 0.000216893 -3.54034 63.546000 Cu 0.552999 0.724647 0.5 168 63.546 0.000116628 -3.5402 63.546000 Cu 0.443297 0.727607 0.5 169 63.546 0.000150215 -3.54036 63.546000 Cu 0.601696 0.709429 0 137 63.546 0.000217499 -3.53992 63.546000 Cu 0.711477 0.70638 1 140 63.546 7.79374e-05 -3.53937 63.546000 Cu 0.723808 0.733751 2.63579e-18 141 63.546 4.81868e-05 -3.53951 63.546000 Cu 0.77255 0.718517 0.5 142 63.546 2.49191e-05 -3.53966 63.546000 Cu 0.662723 0.721616 0.5 143 63.546 0.000103835 -3.53956 63.546000 Cu 0.613999 0.736865 0 170 63.546 0.00028085 -3.53985 63.546000 Cu 0.992022 0.712372 0.5 117 63.546 0.000216893 -3.54034 63.546000 Cu 0.821273 0.703257 1 112 63.546 0.000174453 -3.54014 63.546000 Cu 0.930944 0.70013 1 115 63.546 0.000513566 -3.54041 63.546000 Cu 0.943297 0.727607 1 116 63.546 0.000150215 -3.54036 63.546000 Cu 0.882315 0.715405 0.5 118 63.546 0.000141457 -3.54039 63.546000 Cu 0.833626 0.730672 3.59426e-19 144 63.546 7.87612e-05 -3.53982 63.546000 Cu 0.0652419 0.75211 1 120 63.546 0.000285554 -3.54026 63.546000 Cu 0.00430573 0.739854 0.5 122 63.546 5.36758e-05 -3.54033 63.546000 Cu 0.126094 0.764293 0.5 123 63.546 0.000227967 -3.53988 63.546000 Cu 0.0163802 0.767356 0.5 150 63.546 0.000158059 -3.54062 63.546000 Cu 0.077302 0.77959 4.79235e-19 152 63.546 0.000597719 -3.54035 63.546000 Cu 0.175014 0.749002 2.7556e-18 222 63.546 0.000100618 -3.53968 63.546000 Cu 0.187039 0.776398 1 223 63.546 0.000269577 -3.53968 63.546000 Cu 0.2849 0.745906 0 192 63.546 0.000241578 -3.53971 63.546000 Cu 0.345813 0.758105 0.5 198 63.546 7.52878e-05 -3.53984 63.546000 Cu 0.235935 0.761135 0.5 224 63.546 0.000187608 -3.53971 63.546000 Cu 0.296875 0.773305 1 225 63.546 0.000223911 -3.53958 63.546000 Cu 0.394626 0.742863 1.21845e-16 195 63.546 8.5934e-05 -3.54003 63.546000 Cu 0.504306 0.739854 0 167 63.546 5.36758e-05 -3.54033 63.546000 Cu 0.565242 0.75211 0.5 173 63.546 0.000285554 -3.54026 63.546000 Cu 0.406717 0.770326 1 196 63.546 0.000117969 -3.54012 63.546000 Cu 0.455549 0.755087 0.5 197 63.546 8.39429e-05 -3.54047 63.546000 Cu 0.51638 0.767356 0 199 63.546 0.000158059 -3.54062 63.546000 Cu 0.577302 0.77959 0.5 201 63.546 0.000597719 -3.54035 63.546000 Cu 0.467667 0.782594 0.5 202 63.546 0.000167878 -3.5405 63.546000 Cu 0.626094 0.764293 3.45049e-17 171 63.546 0.000227967 -3.53988 63.546000 Cu 0.675014 0.749002 0.5 172 63.546 0.000100618 -3.53968 63.546000 Cu 0.735935 0.761135 0 174 63.546 0.000187608 -3.53971 63.546000 Cu 0.687039 0.776398 0.5 177 63.546 0.000269577 -3.53968 63.546000 Cu 0.7849 0.745906 0.5 147 63.546 0.000241578 -3.53971 63.546000 Cu 0.796875 0.773305 0.5 176 63.546 0.000223911 -3.53958 63.546000 Cu 0.845813 0.758105 2.63579e-17 145 63.546 7.52878e-05 -3.53984 63.546000 Cu 0.894626 0.742863 0.5 146 63.546 8.5934e-05 -3.54003 63.546000 Cu 0.955549 0.755087 3.59426e-19 148 63.546 8.39429e-05 -3.54047 63.546000 Cu 0.906717 0.770326 0.5 151 63.546 0.000117969 -3.54012 63.546000 Cu 0.967667 0.782594 1 149 63.546 0.000167878 -3.5405 63.546000 Cu 0.0897192 0.807074 0 153 63.546 0.000629379 -3.54041 63.546000 Cu 0.13835 0.791723 0.5 154 63.546 7.04042e-05 -3.54001 63.546000 Cu 0.0286677 0.79488 0.5 155 63.546 0.00077165 -3.54074 63.546000 Cu 0.150701 0.819172 0.5 156 63.546 0.000286502 -3.53987 63.546000 Cu 0.0412335 0.822417 0.5 184 63.546 0.00190975 -3.54077 63.546000 Cu 0.199361 0.803814 1.22205e-16 256 63.546 0.000273214 -3.53943 63.546000 Cu 0.309128 0.800695 1 226 63.546 0.000545891 -3.53912 63.546000 Cu 0.357909 0.785519 0.5 227 63.546 0.000177756 -3.53962 63.546000 Cu 0.248072 0.788525 0.5 228 63.546 0.000473424 -3.53943 63.546000 Cu 0.370311 0.812917 0.5 232 63.546 0.000585147 -3.53945 63.546000 Cu 0.260384 0.815895 0.5 258 63.546 0.00116677 -3.53876 63.546000 Cu 0.528668 0.79488 2.39617e-19 200 63.546 0.00077165 -3.54074 63.546000 Cu 0.419015 0.79779 1.66294e-16 229 63.546 0.000204632 -3.54013 63.546000 Cu 0.480126 0.810115 0.5 231 63.546 0.000712466 -3.54076 63.546000 Cu 0.541233 0.822417 3.59426e-19 233 63.546 0.00190975 -3.54077 63.546000 Cu 0.589719 0.807074 0.5 206 63.546 0.000629379 -3.54041 63.546000 Cu 0.431585 0.825257 4.79235e-19 230 63.546 0.000397859 -3.54014 63.546000 Cu 0.748072 0.788525 2.44769e-16 175 63.546 0.000473424 -3.53943 63.546000 Cu 0.63835 0.791723 1 203 63.546 7.04042e-05 -3.54001 63.546000 Cu 0.650701 0.819172 2.39617e-19 204 63.546 0.000286502 -3.53987 63.546000 Cu 0.699361 0.803814 0.5 205 63.546 0.000273214 -3.53943 63.546000 Cu 0.760384 0.815895 9.68054e-17 207 63.546 0.00116677 -3.53876 63.546000 Cu 0.857909 0.785519 0 178 63.546 0.000177756 -3.53962 63.546000 Cu 0.870311 0.812917 6.25401e-17 179 63.546 0.000585147 -3.53945 63.546000 Cu 0.919015 0.79779 0.5 180 63.546 0.000204632 -3.54013 63.546000 Cu 0.809128 0.800695 0.5 181 63.546 0.000545891 -3.53912 63.546000 Cu 0.980126 0.810115 1 182 63.546 0.000712466 -3.54076 63.546000 Cu 0.931585 0.825257 0.5 185 63.546 0.000397859 -3.54014 63.546000 Cu 0.102261 0.834598 0 186 63.546 0.00138713 -3.54068 63.546000 Cu 0.114995 0.862221 1 187 63.546 0.0052287 -3.54142 63.546000 Cu 0.163258 0.84665 0.5 188 63.546 0.00106496 -3.53995 63.546000 Cu 0.0540173 0.850014 0.5 189 63.546 0.00459239 -3.54121 63.546000 Cu 0.00574882 0.865265 1 215 63.546 0.00542443 -3.54058 63.546000 Cu 0.211734 0.831198 8.98565e-18 257 63.546 0.00107252 -3.53889 63.546000 Cu 0.321646 0.828026 1 259 63.546 0.00184402 -3.53869 63.546000 Cu 0.334367 0.855296 3.34266e-17 260 63.546 0.00500691 -3.53788 63.546000 Cu 0.383018 0.840295 0.5 261 63.546 0.00118616 -3.53919 63.546000 Cu 0.272944 0.843187 0.5 262 63.546 0.00377659 -3.53776 63.546000 Cu 0.224267 0.858518 3.43851e-17 286 63.546 0.00424976 -3.53727 63.546000 Cu 0.395876 0.867653 0.5 266 63.546 0.00219384 -3.53856 63.546000 Cu 0.554017 0.850014 5.99043e-19 234 63.546 0.00459239 -3.54121 63.546000 Cu 0.492847 0.837666 0.5 236 63.546 0.00238801 -3.54061 63.546000 Cu 0.444426 0.852737 2.39617e-19 263 63.546 0.000912722 -3.53978 63.546000 Cu 0.505749 0.865265 0.5 265 63.546 0.00542443 -3.54058 63.546000 Cu 0.772944 0.843187 1.64497e-16 208 63.546 0.00377659 -3.53776 63.546000 Cu 0.711734 0.831198 0.5 210 63.546 0.00107252 -3.53889 63.546000 Cu 0.602261 0.834598 0.5 235 63.546 0.00138713 -3.54068 63.546000 Cu 0.663258 0.84665 1 237 63.546 0.00106496 -3.53995 63.546000 Cu 0.724267 0.858518 0.5 239 63.546 0.00424976 -3.53727 63.546000 Cu 0.614995 0.862221 0.5 240 63.546 0.0052287 -3.54142 63.546000 Cu 0.992847 0.837666 3.35464e-18 183 63.546 0.00238801 -3.54061 63.546000 Cu 0.821646 0.828026 0.5 209 63.546 0.00184402 -3.53869 63.546000 Cu 0.883018 0.840295 2.44769e-16 211 63.546 0.00118616 -3.53919 63.546000 Cu 0.895876 0.867653 1 212 63.546 0.00219384 -3.53856 63.546000 Cu 0.944426 0.852737 0.5 213 63.546 0.000912722 -3.53978 63.546000 Cu 0.834367 0.855296 0.5 214 63.546 0.00500691 -3.53788 63.546000 Cu 0.0185716 0.892971 1 216 63.546 0.0119677 -3.54006 63.546000 Cu 0.066835 0.877747 0.5 217 63.546 0.0135222 -3.54173 63.546000 Cu 0.127586 0.889982 1 219 63.546 0.0192668 -3.54169 63.546000 Cu 0.0794905 0.905673 0.5 221 63.546 0.0381475 -3.54123 63.546000 Cu 0.175776 0.874157 0.5 289 63.546 0.0039838 -3.53943 63.546000 Cu 0.187919 0.901714 0.5 309 63.546 0.015249 -3.53649 63.546000 Cu 0.236614 0.885716 1.67732e-17 287 63.546 0.0179867 -3.53267 63.546000 Cu 0.285561 0.870361 0.5 288 63.546 0.013386 -3.53539 63.546000 Cu 0.347041 0.882468 1.77317e-17 290 63.546 0.0119802 -3.53645 63.546000 Cu 0.359482 0.909543 1.24242e-16 291 63.546 0.0220391 -3.53529 63.546000 Cu 0.297876 0.897343 0.5 293 63.546 0.0446121 -3.53104 63.546000 Cu 0.248462 0.912671 1.17772e-16 310 63.546 0.0876376 -3.51811 63.546000 Cu 0.45731 0.880242 2.33507e-16 264 63.546 0.00243304 -3.5391 63.546000 Cu 0.566835 0.877747 1 267 63.546 0.0135222 -3.54173 63.546000 Cu 0.579491 0.905673 0 268 63.546 0.0381475 -3.54123 63.546000 Cu 0.518572 0.892971 0.5 270 63.546 0.0119677 -3.54006 63.546000 Cu 0.408579 0.894974 0.5 292 63.546 0.00375493 -3.53784 63.546000 Cu 0.470033 0.907798 1 294 63.546 0.00480381 -3.53782 63.546000 Cu 0.675776 0.874157 1.84266e-16 238 63.546 0.0039838 -3.53943 63.546000 Cu 0.736614 0.885716 0.5 244 63.546 0.0179867 -3.53267 63.546000 Cu 0.627586 0.889982 0.5 269 63.546 0.0192668 -3.54169 63.546000 Cu 0.687919 0.901714 3.33068e-17 271 63.546 0.015249 -3.53649 63.546000 Cu 0.785561 0.870361 1 241 63.546 0.013386 -3.53539 63.546000 Cu 0.797876 0.897343 1 242 63.546 0.0446121 -3.53104 63.546000 Cu 0.748462 0.912671 0.5 273 63.546 0.0876376 -3.51811 63.546000 Cu 0.95731 0.880242 0.5 218 63.546 0.00243304 -3.5391 63.546000 Cu 0.847041 0.882468 0.5 243 63.546 0.0119802 -3.53645 63.546000 Cu 0.908579 0.894974 7.58389e-17 245 63.546 0.00375493 -3.53784 63.546000 Cu 0.970033 0.907798 0.5 247 63.546 0.00480381 -3.53782 63.546000 Cu 0.859482 0.909543 0.5 248 63.546 0.0220391 -3.53529 63.546000 Cu 0.139993 0.91796 1.16574e-16 220 63.546 0.0647406 -3.54002 63.546000 Cu 0.0313253 0.920838 1 249 63.546 0.0247604 -3.53713 63.546000 Cu 0.0441334 0.948912 0 250 63.546 0.0560888 -3.52579 63.546000 Cu 0.0921855 0.933913 0.5 251 63.546 0.0995005 -3.53352 63.546000 Cu 0.152676 0.946417 7.30833e-17 253 63.546 0.274261 -3.51548 63.546000 Cu 0.199508 0.929472 0.5 313 63.546 0.0837802 -3.52108 63.546000 Cu 0.260079 0.939112 1 311 63.546 0.511389 -3.47012 63.546000 Cu 0.309911 0.924078 0.5 312 63.546 0.135511 -3.52347 63.546000 Cu 0.372029 0.936503 1.22205e-16 314 63.546 0.0305399 -3.53314 63.546000 Cu 0.322467 0.950474 0.5 317 63.546 0.436764 -3.50042 63.546000 Cu 0.482835 0.935437 1 295 63.546 0.00990342 -3.53259 63.546000 Cu 0.531325 0.920838 0.5 296 63.546 0.0247604 -3.53713 63.546000 Cu 0.421194 0.922289 0.5 297 63.546 0.00587736 -3.53638 63.546000 Cu 0.544133 0.948912 0.5 301 63.546 0.0560888 -3.52579 63.546000 Cu 0.433758 0.949589 0.5 316 63.546 0.0275532 -3.53327 63.546000 Cu 0.592186 0.933913 1.22325e-16 298 63.546 0.0995005 -3.53352 63.546000 Cu 0.699508 0.929472 3.94171e-17 272 63.546 0.0837802 -3.52108 63.546000 Cu 0.639993 0.91796 0.5 274 63.546 0.0647406 -3.54002 63.546000 Cu 0.760079 0.939112 0.5 278 63.546 0.511389 -3.47012 63.546000 Cu 0.652676 0.946417 0.5 300 63.546 0.274261 -3.51548 63.546000 Cu 0.921194 0.922289 1 246 63.546 0.00587736 -3.53638 63.546000 Cu 0.982835 0.935437 0.5 252 63.546 0.00990342 -3.53259 63.546000 Cu 0.809911 0.924078 2.44529e-16 275 63.546 0.135511 -3.52347 63.546000 Cu 0.822467 0.950474 1.24601e-16 276 63.546 0.436764 -3.50042 63.546000 Cu 0.872029 0.936503 0.5 277 63.546 0.0305399 -3.53314 63.546000 Cu 0.933758 0.949589 1 279 63.546 0.0275532 -3.53327 63.546000 Cu 0.168434 0.976974 1.22564e-16 254 63.546 4.55873 -3.5271 63.546000 Cu 0.104855 0.962731 0.5 255 63.546 0.369163 -3.50047 63.546000 Cu 0.0526116 0.97699 0 283 63.546 0.250056 -3.52444 63.546000 Cu 0.104815 0.991285 0.5 284 63.546 0.35871 -3.50023 63.546000 Cu 0.383508 0.963454 1 315 63.546 0.117231 -3.53503 63.546000 Cu 0.210428 0.957937 0.5 324 63.546 5.56318 -3.42344 63.546000 Cu 0.273561 0.964556 1 325 63.546 7.20724 -3.26182 63.546000 Cu 0.27362 0.98946 1 326 63.546 7.20456 -3.26091 63.546000 Cu 0.329275 0.976998 0.5 327 63.546 3.27833 -3.47142 63.546000 Cu 0.210387 0.996026 0.5 328 63.546 5.54995 -3.42337 63.546000 Cu 0.383537 0.990526 1.22924e-16 329 63.546 0.119703 -3.53491 63.546000 Cu 0.494169 0.963162 1 318 63.546 0.0911771 -3.53243 63.546000 Cu 0.494178 0.990825 0 319 63.546 0.0924848 -3.53229 63.546000 Cu 0.552612 0.97699 0.5 320 63.546 0.250056 -3.52444 63.546000 Cu 0.440546 0.976997 0.5 321 63.546 0.127067 -3.54444 63.546000 Cu 0.604855 0.962731 0 299 63.546 0.369163 -3.50047 63.546000 Cu 0.710428 0.957937 2.04633e-16 302 63.546 5.56318 -3.42344 63.546000 Cu 0.710387 0.996026 1.74082e-16 303 63.546 5.54995 -3.42337 63.546000 Cu 0.773561 0.964556 0.5 304 63.546 7.20724 -3.26182 63.546000 Cu 0.668434 0.976974 0.5 305 63.546 4.55873 -3.5271 63.546000 Cu 0.604815 0.991285 1 322 63.546 0.35871 -3.50023 63.546000 Cu 0.77362 0.98946 0.5 308 63.546 7.20456 -3.26091 63.546000 Cu 0.994169 0.963162 0.5 281 63.546 0.0911771 -3.53243 63.546000 Cu 0.994178 0.990825 0.5 285 63.546 0.0924848 -3.53229 63.546000 Cu 0.940546 0.976997 0 280 63.546 0.127067 -3.54444 63.546000 Cu 0.883508 0.963454 0.5 282 63.546 0.117231 -3.53503 63.546000 Cu 0.829275 0.976998 1.21965e-16 306 63.546 3.27833 -3.47142 63.546000 Cu 0.883537 0.990526 0.5 307 63.546 0.119703 -3.53491