Number of particles = 540 A = 1 Angstrom (basic length-scale) H0(1,1) = 14.9771 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 84.8725 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 5.13987 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 0.133643 0.0158854 0.75 316 63.546 6.2619 -3.37502 63.546000 Cu 0.133643 0.0158854 0.25 320 63.546 6.2619 -3.37502 63.546000 Cu 0.276803 0.020946 0.5 343 63.546 4.68402 -3.27855 63.546000 Cu 0.158888 0.0424912 0.5 344 63.546 0.0716478 -3.40457 63.546000 Cu 0.158888 0.0424912 1.4057e-16 345 63.546 0.0716478 -3.40457 63.546000 Cu 0.305844 0.0471245 0.75 347 63.546 0.0138579 -3.40853 63.546000 Cu 0.276803 0.020946 1.18126e-18 351 63.546 4.68402 -3.27855 63.546000 Cu 0.305844 0.0471245 0.25 352 63.546 0.0138579 -3.40853 63.546000 Cu 0.0135654 0.0396838 0.75 315 63.546 0.0219394 -3.39131 63.546000 Cu 0.0135654 0.0396838 0.25 319 63.546 0.0219394 -3.39131 63.546000 Cu 0.398931 0.00233418 0.5 275 63.546 5.87675 -3.20633 63.546000 Cu 0.398931 0.00233418 1.4527e-15 276 63.546 5.87675 -3.20633 63.546000 Cu 0.426414 0.026542 0.75 277 63.546 0.335579 -3.3582 63.546000 Cu 0.547105 0.00262051 0.75 278 63.546 0.853694 -3.39798 63.546000 Cu 0.426414 0.026542 0.25 279 63.546 0.335579 -3.3582 63.546000 Cu 0.547105 0.00262051 0.25 280 63.546 0.853694 -3.39798 63.546000 Cu 0.454508 0.0514695 0.5 281 63.546 0.0843824 -3.39186 63.546000 Cu 0.572035 0.0280523 0.5 284 63.546 0.0866894 -3.37375 63.546000 Cu 0.572035 0.0280523 1.85458e-16 285 63.546 0.0866894 -3.37375 63.546000 Cu 0.600679 0.0539052 0.75 286 63.546 0.0167399 -3.404 63.546000 Cu 0.454508 0.0514695 8.00221e-16 288 63.546 0.0843824 -3.39186 63.546000 Cu 0.600679 0.0539052 0.25 290 63.546 0.0167399 -3.404 63.546000 Cu 0.697751 0.00213881 0.5 283 63.546 3.24331 -3.33869 63.546000 Cu 0.715985 0.0306414 0.75 287 63.546 0.459331 -3.36884 63.546000 Cu 0.836424 0.0118737 0.75 291 63.546 7.23798 -3.25682 63.546000 Cu 0.697751 0.00213881 1 292 63.546 3.24331 -3.33869 63.546000 Cu 0.715985 0.0306414 0.25 293 63.546 0.459331 -3.36884 63.546000 Cu 0.836424 0.0118737 0.25 294 63.546 7.23798 -3.25682 63.546000 Cu 0.86559 0.036751 0.5 305 63.546 0.170635 -3.38803 63.546000 Cu 0.986602 0.0144895 0.5 313 63.546 6.02073 -3.39483 63.546000 Cu 0.986602 0.0144895 1.09689e-18 314 63.546 6.02073 -3.39483 63.546000 Cu 0.86559 0.036751 8.43758e-19 317 63.546 0.170635 -3.38803 63.546000 Cu 0.746584 0.0573514 0.5 306 63.546 0.0581279 -3.40595 63.546000 Cu 0.746584 0.0573514 5.96031e-16 307 63.546 0.0581279 -3.40595 63.546000 Cu 0.0419593 0.0653722 0.5 335 63.546 0.00314883 -3.40409 63.546000 Cu 0.0710696 0.0911682 0.75 339 63.546 0.000691838 -3.40593 63.546000 Cu 0.188243 0.0687476 0.75 346 63.546 0.016829 -3.40764 63.546000 Cu 0.0419593 0.0653722 5.28024e-16 348 63.546 0.00314883 -3.40409 63.546000 Cu 0.0710696 0.0911682 0.25 349 63.546 0.000691838 -3.40593 63.546000 Cu 0.188243 0.0687476 0.25 350 63.546 0.016829 -3.40764 63.546000 Cu 0.217788 0.0947896 0.5 375 63.546 0.00373415 -3.40762 63.546000 Cu 0.217788 0.0947896 1 386 63.546 0.00373415 -3.40762 63.546000 Cu 0.100361 0.117018 0.5 376 63.546 0.000253319 -3.40655 63.546000 Cu 0.100361 0.117018 8.6038e-16 377 63.546 0.000253319 -3.40655 63.546000 Cu 0.335599 0.0729972 0.5 383 63.546 0.0035756 -3.40736 63.546000 Cu 0.335599 0.0729972 4.34957e-16 384 63.546 0.0035756 -3.40736 63.546000 Cu 0.48341 0.0768243 0.75 282 63.546 0.01785 -3.40068 63.546000 Cu 0.48341 0.0768243 0.25 289 63.546 0.01785 -3.40068 63.546000 Cu 0.629901 0.0798505 0.5 297 63.546 0.00702491 -3.4066 63.546000 Cu 0.512501 0.102432 0.5 298 63.546 0.00335229 -3.40429 63.546000 Cu 0.512501 0.102432 7.59383e-19 299 63.546 0.00335229 -3.40429 63.546000 Cu 0.659168 0.105791 0.75 301 63.546 0.00264097 -3.40692 63.546000 Cu 0.629901 0.0798505 8.43758e-20 310 63.546 0.00702491 -3.4066 63.546000 Cu 0.659168 0.105791 0.25 311 63.546 0.00264097 -3.40692 63.546000 Cu 0.365116 0.0987824 0.75 385 63.546 0.00176416 -3.40656 63.546000 Cu 0.365116 0.0987824 0.25 388 63.546 0.00176416 -3.40656 63.546000 Cu 0.776487 0.0835665 0.75 308 63.546 0.0083404 -3.40813 63.546000 Cu 0.894898 0.0621044 0.75 309 63.546 0.0400395 -3.40023 63.546000 Cu 0.776487 0.0835665 0.25 312 63.546 0.0083404 -3.40813 63.546000 Cu 0.894898 0.0621044 0.25 318 63.546 0.0400395 -3.40023 63.546000 Cu 0.806045 0.109559 0.5 327 63.546 0.00112676 -3.40738 63.546000 Cu 0.924105 0.0877106 0.5 336 63.546 0.00893942 -3.40363 63.546000 Cu 0.924105 0.0877106 1 337 63.546 0.00893942 -3.40363 63.546000 Cu 0.953367 0.11344 0.75 338 63.546 0.00190084 -3.40528 63.546000 Cu 0.806045 0.109559 5.16211e-16 340 63.546 0.00112676 -3.40738 63.546000 Cu 0.953367 0.11344 0.25 342 63.546 0.00190084 -3.40528 63.546000 Cu 0.012559 0.165055 0.75 371 63.546 9.65346e-05 -3.40621 63.546000 Cu 0.129878 0.142873 0.75 378 63.546 0.000135414 -3.40655 63.546000 Cu 0.247338 0.120722 0.75 379 63.546 0.00065561 -3.40719 63.546000 Cu 0.012559 0.165055 0.25 381 63.546 9.65346e-05 -3.40621 63.546000 Cu 0.129878 0.142873 0.25 382 63.546 0.000135414 -3.40655 63.546000 Cu 0.247338 0.120722 0.25 387 63.546 0.00065561 -3.40719 63.546000 Cu 0.159638 0.168722 0.5 407 63.546 9.41939e-05 -3.40671 63.546000 Cu 0.276962 0.146592 0.5 415 63.546 0.000127275 -3.40692 63.546000 Cu 0.276962 0.146592 9.67453e-16 416 63.546 0.000127275 -3.40692 63.546000 Cu 0.306854 0.172446 0.75 417 63.546 2.28027e-05 -3.40673 63.546000 Cu 0.159638 0.168722 1 418 63.546 9.41939e-05 -3.40671 63.546000 Cu 0.306854 0.172446 0.25 420 63.546 2.28027e-05 -3.40673 63.546000 Cu 0.394578 0.124548 0.5 295 63.546 0.000645957 -3.40616 63.546000 Cu 0.424212 0.150331 0.75 296 63.546 0.00019469 -3.40636 63.546000 Cu 0.541747 0.128177 0.75 300 63.546 0.000652078 -3.40562 63.546000 Cu 0.394578 0.124548 1.20995e-16 302 63.546 0.000645957 -3.40616 63.546000 Cu 0.424212 0.150331 0.25 303 63.546 0.00019469 -3.40636 63.546000 Cu 0.541747 0.128177 0.25 304 63.546 0.000652078 -3.40562 63.546000 Cu 0.571332 0.153973 0.5 321 63.546 0.000100626 -3.40626 63.546000 Cu 0.571332 0.153973 1 332 63.546 0.000100626 -3.40626 63.546000 Cu 0.454027 0.17615 0.5 322 63.546 6.24389e-05 -3.40639 63.546000 Cu 0.454027 0.17615 1.07664e-16 323 63.546 6.24389e-05 -3.40639 63.546000 Cu 0.688612 0.131709 0.5 328 63.546 0.000868377 -3.40701 63.546000 Cu 0.688612 0.131709 1 329 63.546 0.000868377 -3.40701 63.546000 Cu 0.718354 0.157607 0.75 330 63.546 0.00015166 -3.40681 63.546000 Cu 0.835643 0.135463 0.75 331 63.546 0.000203053 -3.40682 63.546000 Cu 0.718354 0.157607 0.25 334 63.546 0.00015166 -3.40681 63.546000 Cu 0.835643 0.135463 0.25 341 63.546 0.000203053 -3.40682 63.546000 Cu 0.982829 0.139237 0.5 367 63.546 0.000441105 -3.40595 63.546000 Cu 0.865428 0.161326 0.5 368 63.546 3.5359e-05 -3.40653 63.546000 Cu 0.865428 0.161326 9.7876e-18 369 63.546 3.5359e-05 -3.40653 63.546000 Cu 0.982829 0.139237 1 380 63.546 0.000441105 -3.40595 63.546000 Cu 0.0424697 0.190894 0.5 408 63.546 2.12251e-05 -3.40652 63.546000 Cu 0.0424697 0.190894 3.44675e-16 409 63.546 2.12251e-05 -3.40652 63.546000 Cu 0.0724081 0.216737 0.75 410 63.546 1.8647e-05 -3.40639 63.546000 Cu 0.189612 0.194569 0.75 411 63.546 3.43925e-05 -3.40653 63.546000 Cu 0.0724081 0.216737 0.25 414 63.546 1.8647e-05 -3.40639 63.546000 Cu 0.189612 0.194569 0.25 419 63.546 3.43925e-05 -3.40653 63.546000 Cu 0.219458 0.22041 0.5 448 63.546 3.17191e-05 -3.40654 63.546000 Cu 0.219458 0.22041 5.90631e-19 449 63.546 3.17191e-05 -3.40654 63.546000 Cu 0.336699 0.198271 0.5 447 63.546 1.31109e-05 -3.40637 63.546000 Cu 0.336699 0.198271 6.88591e-16 455 63.546 1.31109e-05 -3.40637 63.546000 Cu 0.483871 0.201966 0.75 324 63.546 1.95929e-05 -3.40642 63.546000 Cu 0.601151 0.179803 0.75 325 63.546 1.6222e-05 -3.40641 63.546000 Cu 0.483871 0.201966 0.25 326 63.546 1.95929e-05 -3.40642 63.546000 Cu 0.601151 0.179803 0.25 333 63.546 1.6222e-05 -3.40641 63.546000 Cu 0.513844 0.227789 0.5 353 63.546 2.11806e-05 -3.40657 63.546000 Cu 0.631025 0.205641 0.5 360 63.546 1.28081e-05 -3.40656 63.546000 Cu 0.631025 0.205641 1.72295e-16 361 63.546 1.28081e-05 -3.40656 63.546000 Cu 0.660958 0.231493 0.75 362 63.546 1.06534e-05 -3.40654 63.546000 Cu 0.513844 0.227789 5.17393e-16 364 63.546 2.11806e-05 -3.40657 63.546000 Cu 0.660958 0.231493 0.25 366 63.546 1.06534e-05 -3.40654 63.546000 Cu 0.366645 0.224102 0.75 451 63.546 7.02204e-06 -3.40665 63.546000 Cu 0.366645 0.224102 0.25 456 63.546 7.02204e-06 -3.40665 63.546000 Cu 0.748206 0.183468 0.5 359 63.546 4.87051e-05 -3.40657 63.546000 Cu 0.778119 0.209331 0.75 363 63.546 1.02944e-05 -3.40663 63.546000 Cu 0.895318 0.187186 0.75 370 63.546 4.948e-06 -3.4066 63.546000 Cu 0.748206 0.183468 8.34477e-17 372 63.546 4.87051e-05 -3.40657 63.546000 Cu 0.778119 0.209331 0.25 373 63.546 1.02944e-05 -3.40663 63.546000 Cu 0.895318 0.187186 0.25 374 63.546 4.948e-06 -3.4066 63.546000 Cu 0.925252 0.213041 0.5 399 63.546 5.11665e-06 -3.40656 63.546000 Cu 0.925252 0.213041 3.4476e-16 412 63.546 5.11665e-06 -3.40656 63.546000 Cu 0.808063 0.235187 0.5 400 63.546 1.17147e-05 -3.40659 63.546000 Cu 0.808063 0.235187 1.72802e-16 401 63.546 1.17147e-05 -3.40659 63.546000 Cu 0.102289 0.242576 0.5 439 63.546 1.53402e-05 -3.40653 63.546000 Cu 0.0147786 0.290531 0.75 442 63.546 3.1338e-05 -3.40647 63.546000 Cu 0.132152 0.268406 0.75 443 63.546 9.36153e-06 -3.4066 63.546000 Cu 0.0147786 0.290531 0.25 446 63.546 3.1338e-05 -3.40647 63.546000 Cu 0.249461 0.24626 0.75 450 63.546 2.67777e-05 -3.40671 63.546000 Cu 0.102289 0.242576 3.54379e-16 452 63.546 1.53402e-05 -3.40653 63.546000 Cu 0.132152 0.268406 0.25 453 63.546 9.36153e-06 -3.4066 63.546000 Cu 0.249461 0.24626 0.25 454 63.546 2.67777e-05 -3.40671 63.546000 Cu 0.27928 0.272088 0.5 479 63.546 4.63535e-06 -3.40646 63.546000 Cu 0.27928 0.272088 1.73392e-16 487 63.546 4.63535e-06 -3.40646 63.546000 Cu 0.396633 0.249944 0.5 354 63.546 4.49908e-05 -3.40656 63.546000 Cu 0.396633 0.249944 1.56264e-16 355 63.546 4.49908e-05 -3.40656 63.546000 Cu 0.426345 0.275776 0.75 356 63.546 4.17488e-06 -3.40633 63.546000 Cu 0.543735 0.253639 0.75 357 63.546 2.90742e-05 -3.40649 63.546000 Cu 0.426345 0.275776 0.25 358 63.546 4.17488e-06 -3.40633 63.546000 Cu 0.543735 0.253639 0.25 365 63.546 2.90742e-05 -3.40649 63.546000 Cu 0.573424 0.279473 0.5 392 63.546 1.68519e-05 -3.40649 63.546000 Cu 0.573424 0.279473 8.72699e-16 393 63.546 1.68519e-05 -3.40649 63.546000 Cu 0.690799 0.257331 0.5 391 63.546 9.5923e-06 -3.40644 63.546000 Cu 0.720521 0.28317 0.75 395 63.546 2.36455e-05 -3.4066 63.546000 Cu 0.837886 0.261028 0.75 402 63.546 7.95871e-06 -3.4065 63.546000 Cu 0.955184 0.238883 0.75 403 63.546 1.21102e-05 -3.40644 63.546000 Cu 0.690799 0.257331 7.23523e-16 404 63.546 9.5923e-06 -3.40644 63.546000 Cu 0.720521 0.28317 0.25 405 63.546 2.36455e-05 -3.4066 63.546000 Cu 0.837886 0.261028 0.25 406 63.546 7.95871e-06 -3.4065 63.546000 Cu 0.955184 0.238883 0.25 413 63.546 1.21102e-05 -3.40644 63.546000 Cu 0.867621 0.286858 0.5 431 63.546 3.04415e-05 -3.40655 63.546000 Cu 0.984977 0.264713 0.5 440 63.546 7.13716e-06 -3.40647 63.546000 Cu 0.984977 0.264713 8.43758e-19 441 63.546 7.13716e-06 -3.40647 63.546000 Cu 0.867621 0.286858 5.16718e-16 444 63.546 3.04415e-05 -3.40655 63.546000 Cu 0.0447162 0.316341 0.5 471 63.546 9.94591e-05 -3.40635 63.546000 Cu 0.0745927 0.342147 0.75 475 63.546 0.000283168 -3.40639 63.546000 Cu 0.161947 0.29423 0.5 480 63.546 2.7198e-05 -3.40657 63.546000 Cu 0.161947 0.29423 8.60212e-16 481 63.546 2.7198e-05 -3.40657 63.546000 Cu 0.191882 0.320069 0.75 482 63.546 6.57598e-05 -3.40659 63.546000 Cu 0.30903 0.297917 0.75 483 63.546 2.73835e-05 -3.40656 63.546000 Cu 0.0447162 0.316341 1 484 63.546 9.94591e-05 -3.40635 63.546000 Cu 0.0745927 0.342147 0.25 485 63.546 0.000283168 -3.40639 63.546000 Cu 0.191882 0.320069 0.25 486 63.546 6.57598e-05 -3.40659 63.546000 Cu 0.30903 0.297917 0.25 488 63.546 2.73835e-05 -3.40656 63.546000 Cu 0.221818 0.345927 0.5 507 63.546 0.000270017 -3.40688 63.546000 Cu 0.221818 0.345927 1 518 63.546 0.000270017 -3.40688 63.546000 Cu 0.338928 0.323773 0.5 515 63.546 4.05461e-05 -3.40679 63.546000 Cu 0.338928 0.323773 9.91332e-16 516 63.546 4.05461e-05 -3.40679 63.546000 Cu 0.456106 0.301602 0.5 389 63.546 4.79643e-05 -3.40645 63.546000 Cu 0.486058 0.327429 0.75 390 63.546 0.0001467 -3.40627 63.546000 Cu 0.603292 0.305312 0.75 394 63.546 8.8355e-06 -3.40662 63.546000 Cu 0.456106 0.301602 2.21065e-17 396 63.546 4.79643e-05 -3.40645 63.546000 Cu 0.486058 0.327429 0.25 397 63.546 0.0001467 -3.40627 63.546000 Cu 0.603292 0.305312 0.25 398 63.546 8.8355e-06 -3.40662 63.546000 Cu 0.633244 0.331148 0.5 423 63.546 3.81192e-05 -3.40661 63.546000 Cu 0.633244 0.331148 1.02095e-17 436 63.546 3.81192e-05 -3.40661 63.546000 Cu 0.368849 0.34964 0.75 517 63.546 0.000247913 -3.40655 63.546000 Cu 0.368849 0.34964 0.25 520 63.546 0.000247913 -3.40655 63.546000 Cu 0.750438 0.309019 0.5 432 63.546 2.8574e-05 -3.40677 63.546000 Cu 0.750438 0.309019 5.0963e-17 433 63.546 2.8574e-05 -3.40677 63.546000 Cu 0.780378 0.334875 0.75 434 63.546 0.000215173 -3.40674 63.546000 Cu 0.89755 0.312688 0.75 435 63.546 2.27853e-05 -3.40646 63.546000 Cu 0.780378 0.334875 0.25 438 63.546 0.000215173 -3.40674 63.546000 Cu 0.89755 0.312688 0.25 445 63.546 2.27853e-05 -3.40646 63.546000 Cu 0.927404 0.338494 0.5 472 63.546 9.64202e-05 -3.40619 63.546000 Cu 0.927404 0.338494 2.86118e-16 473 63.546 9.64202e-05 -3.40619 63.546000 Cu 0.104315 0.367947 0.5 508 63.546 0.000665471 -3.40631 63.546000 Cu 0.104315 0.367947 5.00602e-16 509 63.546 0.000665471 -3.40631 63.546000 Cu 0.133971 0.393735 0.75 510 63.546 0.00156091 -3.40647 63.546000 Cu 0.25162 0.371816 0.75 511 63.546 0.00116258 -3.40712 63.546000 Cu 0.133971 0.393735 0.25 514 63.546 0.00156091 -3.40647 63.546000 Cu 0.25162 0.371816 0.25 519 63.546 0.00116258 -3.40712 63.546000 Cu 0.281356 0.397773 0.5 533 63.546 0.00533421 -3.40764 63.546000 Cu 0.281356 0.397773 5.54434e-16 534 63.546 0.00533421 -3.40764 63.546000 Cu 0.398506 0.375499 0.5 421 63.546 0.000351182 -3.40645 63.546000 Cu 0.428056 0.40137 0.75 422 63.546 0.000997112 -3.40595 63.546000 Cu 0.515823 0.353234 0.5 424 63.546 0.000699957 -3.40583 63.546000 Cu 0.515823 0.353234 6.91207e-16 425 63.546 0.000699957 -3.40583 63.546000 Cu 0.545466 0.379029 0.75 426 63.546 0.00245227 -3.40524 63.546000 Cu 0.663068 0.357 0.75 427 63.546 0.000135133 -3.4069 63.546000 Cu 0.398506 0.375499 5.16549e-16 428 63.546 0.000351182 -3.40645 63.546000 Cu 0.428056 0.40137 0.25 429 63.546 0.000997112 -3.40595 63.546000 Cu 0.545466 0.379029 0.25 430 63.546 0.00245227 -3.40524 63.546000 Cu 0.663068 0.357 0.25 437 63.546 0.000135133 -3.4069 63.546000 Cu 0.574914 0.40475 0.5 457 63.546 0.0107475 -3.4033 63.546000 Cu 0.574914 0.40475 1.18126e-18 468 63.546 0.0107475 -3.4033 63.546000 Cu 0.810148 0.360736 0.5 463 63.546 0.000595845 -3.40698 63.546000 Cu 0.692817 0.382891 0.5 464 63.546 0.00105388 -3.40743 63.546000 Cu 0.692817 0.382891 5.16971e-16 465 63.546 0.00105388 -3.40743 63.546000 Cu 0.722605 0.408863 0.75 466 63.546 0.00792337 -3.40814 63.546000 Cu 0.839788 0.386637 0.75 467 63.546 0.00205254 -3.40698 63.546000 Cu 0.722605 0.408863 0.25 470 63.546 0.00792337 -3.40814 63.546000 Cu 0.957113 0.364285 0.75 474 63.546 0.000625272 -3.40572 63.546000 Cu 0.810148 0.360736 1.09689e-18 476 63.546 0.000595845 -3.40698 63.546000 Cu 0.839788 0.386637 0.25 477 63.546 0.00205254 -3.40698 63.546000 Cu 0.957113 0.364285 0.25 478 63.546 0.000625272 -3.40572 63.546000 Cu 0.986532 0.390021 0.5 499 63.546 0.00361477 -3.40444 63.546000 Cu 0.986532 0.390021 3.27463e-16 512 63.546 0.00361477 -3.40444 63.546000 Cu 0.0158786 0.415644 0.75 503 63.546 0.0176267 -3.40119 63.546000 Cu 0.163649 0.419525 0.5 525 63.546 0.00399002 -3.40695 63.546000 Cu 0.0447306 0.44104 0.5 526 63.546 0.0815751 -3.39207 63.546000 Cu 0.0447306 0.44104 3.30416e-16 527 63.546 0.0815751 -3.39207 63.546000 Cu 0.0728912 0.465969 0.75 528 63.546 0.333963 -3.35844 63.546000 Cu 0.19345 0.445404 0.75 529 63.546 0.0136792 -3.40837 63.546000 Cu 0.0728912 0.465969 0.25 532 63.546 0.333963 -3.35844 63.546000 Cu 0.311044 0.423868 0.75 535 63.546 0.0231559 -3.40743 63.546000 Cu 0.163649 0.419525 3.13288e-16 536 63.546 0.00399002 -3.40695 63.546000 Cu 0.19345 0.445404 0.25 537 63.546 0.0136792 -3.40837 63.546000 Cu 0.311044 0.423868 0.25 538 63.546 0.0231559 -3.40743 63.546000 Cu 0.0158786 0.415644 0.25 513 63.546 0.0176267 -3.40119 63.546000 Cu 0.340553 0.450174 5.06255e-19 6 63.546 0.0939335 -3.40326 63.546000 Cu 0.340553 0.450174 0.5 540 63.546 0.0939335 -3.40326 63.546000 Cu 0.457239 0.427186 0.5 458 63.546 0.00369937 -3.40369 63.546000 Cu 0.457239 0.427186 6.75007e-19 459 63.546 0.00369937 -3.40369 63.546000 Cu 0.485733 0.452859 0.75 460 63.546 0.0247252 -3.38896 63.546000 Cu 0.604256 0.430324 0.75 461 63.546 0.0450935 -3.39974 63.546000 Cu 0.485733 0.452859 0.25 462 63.546 0.0247252 -3.38896 63.546000 Cu 0.604256 0.430324 0.25 469 63.546 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-3.3965 63.546000 Cu 0.0129591 0.514527 3.08647e-16 21 63.546 5.9729 -3.3965 63.546000 Cu 0.163283 0.51201 0.75 272 63.546 7.21127 -3.2553 63.546000 Cu 0.22257 0.471566 3.03162e-16 273 63.546 4.85241 -3.27035 63.546000 Cu 0.22257 0.471566 0.5 274 63.546 4.85241 -3.27035 63.546000 Cu 0.100679 0.490173 0.5 539 63.546 5.94604 -3.20019 63.546000 Cu 0.302492 0.502388 0.5 490 63.546 3.08102 -3.33933 63.546000 Cu 0.302492 0.502388 7.2867e-16 491 63.546 3.08102 -3.33933 63.546000 Cu 0.453208 0.502652 0.75 1 63.546 0.776839 -3.3981 63.546000 Cu 0.572611 0.526559 0.75 2 63.546 0.318109 -3.36111 63.546000 Cu 0.453208 0.502652 0.25 3 63.546 0.776839 -3.3981 63.546000 Cu 0.572611 0.526559 0.25 4 63.546 0.318109 -3.36111 63.546000 Cu 0.365723 0.476892 0.25 5 63.546 6.18175 -3.37176 63.546000 Cu 0.426802 0.52807 0.5 8 63.546 0.0783548 -3.37679 63.546000 Cu 0.426802 0.52807 1 9 63.546 0.0783548 -3.37679 63.546000 Cu 0.601359 0.502347 0.5 44 63.546 5.80943 -3.20253 63.546000 Cu 0.601359 0.502347 1.94064e-18 45 63.546 5.80943 -3.20253 63.546000 Cu 0.365723 0.476892 0.75 268 63.546 6.18175 -3.37176 63.546000 Cu 0.513247 0.478001 0.5 489 63.546 5.95132 -3.39661 63.546000 Cu 0.663417 0.480463 0.75 495 63.546 7.21455 -3.25503 63.546000 Cu 0.513247 0.478001 5.16718e-16 497 63.546 5.95132 -3.39661 63.546000 Cu 0.663417 0.480463 0.25 498 63.546 7.21455 -3.25503 63.546000 Cu 0.865478 0.515731 0.75 22 63.546 6.19692 -3.37296 63.546000 Cu 0.865478 0.515731 0.25 24 63.546 6.19692 -3.37296 63.546000 Cu 0.722383 0.52108 0.5 43 63.546 4.82056 -3.27033 63.546000 Cu 0.722383 0.52108 1.19139e-16 51 63.546 4.82056 -3.27033 63.546000 Cu 0.802065 0.490273 0.5 522 63.546 3.24464 -3.3378 63.546000 Cu 0.802065 0.490273 3.82898e-16 523 63.546 3.24464 -3.3378 63.546000 Cu 0.952643 0.489883 0.75 524 63.546 0.838392 -3.39745 63.546000 Cu 0.952643 0.489883 0.25 531 63.546 0.838392 -3.39745 63.546000 Cu 0.282901 0.530852 0.75 10 63.546 0.406159 -3.36796 63.546000 Cu 0.282901 0.530852 0.25 14 63.546 0.406159 -3.36796 63.546000 Cu 0.133214 0.536859 0.5 19 63.546 0.171034 -3.38829 63.546000 Cu 0.252118 0.557493 0.5 26 63.546 0.0515502 -3.40643 63.546000 Cu 0.252118 0.557493 2.62156e-16 27 63.546 0.0515502 -3.40643 63.546000 Cu 0.103682 0.562184 0.75 28 63.546 0.0420816 -3.40008 63.546000 Cu 0.222014 0.583646 0.75 29 63.546 0.00793555 -3.40817 63.546000 Cu 0.133214 0.536859 4.40189e-16 30 63.546 0.171034 -3.38829 63.546000 Cu 0.103682 0.562184 0.25 32 63.546 0.0420816 -3.40008 63.546000 Cu 0.222014 0.583646 0.25 38 63.546 0.00793555 -3.40817 63.546000 Cu 0.0743711 0.587772 0.5 54 63.546 0.0101309 -3.40358 63.546000 Cu 0.0743711 0.587772 2.98269e-16 55 63.546 0.0101309 -3.40358 63.546000 Cu 0.544192 0.551494 0.5 7 63.546 0.0774281 -3.39234 63.546000 Cu 0.398135 0.553992 0.75 11 63.546 0.0160252 -3.40464 63.546000 Cu 0.515239 0.576882 0.75 15 63.546 0.0163362 -3.40115 63.546000 Cu 0.544192 0.551494 3.10925e-16 16 63.546 0.0774281 -3.39234 63.546000 Cu 0.398135 0.553992 0.25 17 63.546 0.0160252 -3.40464 63.546000 Cu 0.515239 0.576882 0.25 18 63.546 0.0163362 -3.40115 63.546000 Cu 0.368702 0.579941 0.5 25 63.546 0.00625837 -3.40691 63.546000 Cu 0.368702 0.579941 1.59892e-16 37 63.546 0.00625837 -3.40691 63.546000 Cu 0.662991 0.573065 0.5 78 63.546 0.00439816 -3.40702 63.546000 Cu 0.662991 0.573065 1 79 63.546 0.00439816 -3.40702 63.546000 Cu 0.985236 0.539691 0.75 23 63.546 0.0237083 -3.38981 63.546000 Cu 0.985236 0.539691 0.25 31 63.546 0.0237083 -3.38981 63.546000 Cu 0.956689 0.565373 0.5 46 63.546 0.0034011 -3.40396 63.546000 Cu 0.840077 0.542446 0.5 47 63.546 0.0884139 -3.403 63.546000 Cu 0.840077 0.542446 1 48 63.546 0.0884139 -3.403 63.546000 Cu 0.692903 0.547211 0.75 49 63.546 0.0127759 -3.40844 63.546000 Cu 0.810443 0.568736 0.75 50 63.546 0.0210197 -3.40762 63.546000 Cu 0.692903 0.547211 0.25 52 63.546 0.0127759 -3.40844 63.546000 Cu 0.956689 0.565373 6.78044e-16 58 63.546 0.0034011 -3.40396 63.546000 Cu 0.810443 0.568736 0.25 59 63.546 0.0210197 -3.40762 63.546000 Cu 0.192472 0.609603 0.5 53 63.546 0.0011989 -3.4074 63.546000 Cu 0.0452254 0.613482 0.75 57 63.546 0.00238938 -3.40516 63.546000 Cu 0.310318 0.631743 0.5 62 63.546 0.000810076 -3.40687 63.546000 Cu 0.310318 0.631743 3.90829e-16 63 63.546 0.000810076 -3.40687 63.546000 Cu 0.163381 0.63548 0.75 64 63.546 0.00018326 -3.40689 63.546000 Cu 0.192472 0.609603 9.30666e-17 66 63.546 0.0011989 -3.4074 63.546000 Cu 0.0452254 0.613482 0.25 67 63.546 0.00238938 -3.40516 63.546000 Cu 0.163381 0.63548 0.25 68 63.546 0.00018326 -3.40689 63.546000 Cu 0.0162922 0.639255 0.5 81 63.546 0.000599043 -3.4058 63.546000 Cu 0.0162922 0.639255 1 94 63.546 0.000599043 -3.4058 63.546000 Cu 0.486057 0.602491 0.5 33 63.546 0.00322766 -3.40449 63.546000 Cu 0.486057 0.602491 2.74981e-16 34 63.546 0.00322766 -3.40449 63.546000 Cu 0.339352 0.605858 0.75 35 63.546 0.00233736 -3.40701 63.546000 Cu 0.45711 0.628218 0.75 36 63.546 0.0006175 -3.40561 63.546000 Cu 0.339352 0.605858 0.25 39 63.546 0.00233736 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0.757314 4.28207e-16 138 63.546 2.96655e-05 -3.40662 63.546000 Cu 0.164222 0.761003 0.25 139 63.546 3.1018e-05 -3.40656 63.546000 Cu 0.0171559 0.76466 0.5 154 63.546 3.5557e-05 -3.40653 63.546000 Cu 0.0171559 0.76466 1 155 63.546 3.5557e-05 -3.40653 63.546000 Cu 0.488027 0.727775 0.5 97 63.546 8.8293e-05 -3.4065 63.546000 Cu 0.340956 0.73147 0.75 101 63.546 6.59388e-05 -3.40661 63.546000 Cu 0.458342 0.753602 0.75 105 63.546 2.4944e-05 -3.4065 63.546000 Cu 0.488027 0.727775 6.41088e-16 107 63.546 8.8293e-05 -3.4065 63.546000 Cu 0.340956 0.73147 0.25 108 63.546 6.59388e-05 -3.40661 63.546000 Cu 0.458342 0.753602 0.25 109 63.546 2.4944e-05 -3.4065 63.546000 Cu 0.635178 0.724059 0.75 149 63.546 0.000116872 -3.40662 63.546000 Cu 0.635178 0.724059 0.25 152 63.546 0.000116872 -3.40662 63.546000 Cu 0.605486 0.749884 0.5 180 63.546 1.85344e-05 -3.40662 63.546000 Cu 0.605486 0.749884 6.75007e-19 181 63.546 1.85344e-05 -3.40662 63.546000 Cu 0.929363 0.716675 0.75 121 63.546 0.000138217 -3.40641 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-3.40624 63.546000 Cu 0.575921 0.775717 0.75 106 63.546 2.5583e-05 -3.40636 63.546000 Cu 0.575921 0.775717 0.25 110 63.546 2.5583e-05 -3.40636 63.546000 Cu 0.546481 0.801543 0.5 133 63.546 8.74629e-05 -3.4065 63.546000 Cu 0.428803 0.779441 0.5 134 63.546 1.5807e-05 -3.40662 63.546000 Cu 0.428803 0.779441 1 135 63.546 1.5807e-05 -3.40662 63.546000 Cu 0.399353 0.805293 0.75 137 63.546 2.89909e-05 -3.40654 63.546000 Cu 0.546481 0.801543 3.08562e-16 142 63.546 8.74629e-05 -3.4065 63.546000 Cu 0.399353 0.805293 0.25 143 63.546 2.89909e-05 -3.40654 63.546000 Cu 0.987635 0.790465 0.75 157 63.546 9.03135e-05 -3.40635 63.546000 Cu 0.987635 0.790465 0.25 167 63.546 9.03135e-05 -3.40635 63.546000 Cu 0.869983 0.768331 0.75 156 63.546 0.000122193 -3.40659 63.546000 Cu 0.869983 0.768331 0.25 160 63.546 0.000122193 -3.40659 63.546000 Cu 0.72295 0.772019 0.5 179 63.546 5.12915e-05 -3.4065 63.546000 Cu 0.958342 0.816274 0.5 182 63.546 0.00023814 -3.40636 63.546000 Cu 0.840621 0.794154 0.5 183 63.546 1.21056e-05 -3.40638 63.546000 Cu 0.840621 0.794154 2.0959e-16 184 63.546 1.21056e-05 -3.40638 63.546000 Cu 0.693559 0.797856 0.75 185 63.546 1.84772e-05 -3.40668 63.546000 Cu 0.811147 0.819971 0.75 186 63.546 9.59237e-05 -3.40673 63.546000 Cu 0.72295 0.772019 4.23735e-16 187 63.546 5.12915e-05 -3.4065 63.546000 Cu 0.693559 0.797856 0.25 188 63.546 1.84772e-05 -3.40668 63.546000 Cu 0.958342 0.816274 1.65714e-16 194 63.546 0.00023814 -3.40636 63.546000 Cu 0.811147 0.819971 0.25 195 63.546 9.59237e-05 -3.40673 63.546000 Cu 0.222834 0.834884 0.75 165 63.546 0.000839473 -3.40674 63.546000 Cu 0.222834 0.834884 0.25 174 63.546 0.000839473 -3.40674 63.546000 Cu 0.192726 0.860733 0.5 189 63.546 0.00100984 -3.40683 63.546000 Cu 0.075775 0.838452 0.5 190 63.546 0.000224167 -3.40633 63.546000 Cu 0.075775 0.838452 1.89002e-17 191 63.546 0.000224167 -3.40633 63.546000 Cu 0.0457765 0.86424 0.75 193 63.546 0.000637665 -3.40572 63.546000 Cu 0.192726 0.860733 4.62886e-16 202 63.546 0.00100984 -3.40683 63.546000 Cu 0.0457765 0.86424 0.25 203 63.546 0.000637665 -3.40572 63.546000 Cu 0.664022 0.823703 0.5 214 63.546 9.92205e-05 -3.40668 63.546000 Cu 0.664022 0.823703 7.03695e-16 215 63.546 9.92205e-05 -3.40668 63.546000 Cu 0.516972 0.827377 0.75 141 63.546 0.000199402 -3.40625 63.546000 Cu 0.516972 0.827377 0.25 144 63.546 0.000199402 -3.40625 63.546000 Cu 0.369857 0.831127 0.5 161 63.546 0.000113221 -3.40643 63.546000 Cu 0.487218 0.853205 0.5 169 63.546 0.000594909 -3.40601 63.546000 Cu 0.487218 0.853205 2.03177e-16 170 63.546 0.000594909 -3.40601 63.546000 Cu 0.33993 0.856989 0.75 171 63.546 0.000183447 -3.40694 63.546000 Cu 0.457053 0.878999 0.75 172 63.546 0.00228237 -3.40535 63.546000 Cu 0.369857 0.831127 8.78774e-16 173 63.546 0.000113221 -3.40643 63.546000 Cu 0.33993 0.856989 0.25 175 63.546 0.000183447 -3.40694 63.546000 Cu 0.457053 0.878999 0.25 177 63.546 0.00228237 -3.40535 63.546000 Cu 0.634258 0.849555 0.75 216 63.546 0.000217872 -3.40653 63.546000 Cu 0.634258 0.849555 0.25 223 63.546 0.000217872 -3.40653 63.546000 Cu 0.604133 0.875436 0.5 243 63.546 0.000413211 -3.40662 63.546000 Cu 0.604133 0.875436 4.57739e-16 248 63.546 0.000413211 -3.40662 63.546000 Cu 0.928575 0.842059 0.75 192 63.546 0.000460027 -3.40639 63.546000 Cu 0.928575 0.842059 0.25 196 63.546 0.000460027 -3.40639 63.546000 Cu 0.781336 0.845818 0.5 213 63.546 0.000149666 -3.4068 63.546000 Cu 0.898506 0.867863 0.5 218 63.546 0.000810245 -3.40638 63.546000 Cu 0.898506 0.867863 7.29598e-16 219 63.546 0.000810245 -3.40638 63.546000 Cu 0.751159 0.871712 0.75 220 63.546 0.000690743 -3.40705 63.546000 Cu 0.781336 0.845818 5.74262e-16 222 63.546 0.000149666 -3.4068 63.546000 Cu 0.751159 0.871712 0.25 224 63.546 0.000690743 -3.40705 63.546000 Cu 0.309577 0.88288 0.5 198 63.546 0.00106723 -3.40724 63.546000 Cu 0.309577 0.88288 1.08389e-15 199 63.546 0.00106723 -3.40724 63.546000 Cu 0.162494 0.886622 0.75 200 63.546 0.00240885 -3.40699 63.546000 Cu 0.279126 0.90883 0.75 201 63.546 0.00709374 -3.40794 63.546000 Cu 0.162494 0.886622 0.25 204 63.546 0.00240885 -3.40699 63.546000 Cu 0.279126 0.90883 0.25 210 63.546 0.00709374 -3.40794 63.546000 Cu 0.0156078 0.889977 0.5 217 63.546 0.00344595 -3.40466 63.546000 Cu 0.24837 0.934974 0.5 225 63.546 0.0489672 -3.40624 63.546000 Cu 0.13222 0.912544 0.5 226 63.546 0.00641729 -3.40707 63.546000 Cu 0.13222 0.912544 6.91882e-17 227 63.546 0.00641729 -3.40707 63.546000 Cu 0.102305 0.938499 0.75 229 63.546 0.0163605 -3.4047 63.546000 Cu 0.0156078 0.889977 1 230 63.546 0.00344595 -3.40466 63.546000 Cu 0.24837 0.934974 5.7595e-16 238 63.546 0.0489672 -3.40624 63.546000 Cu 0.102305 0.938499 0.25 239 63.546 0.0163605 -3.4047 63.546000 Cu 0.573895 0.90132 0.75 176 63.546 0.00101255 -3.40615 63.546000 Cu 0.573895 0.90132 0.25 178 63.546 0.00101255 -3.40615 63.546000 Cu 0.426914 0.904734 0.5 197 63.546 0.00966163 -3.40354 63.546000 Cu 0.544056 0.927157 0.5 205 63.546 0.00369189 -3.40411 63.546000 Cu 0.544056 0.927157 6.07169e-16 206 63.546 0.00369189 -3.40411 63.546000 Cu 0.39697 0.930317 0.75 207 63.546 0.0420179 -3.40003 63.546000 Cu 0.426914 0.904734 1 209 63.546 0.00966163 -3.40354 63.546000 Cu 0.39697 0.930317 0.25 211 63.546 0.0420179 -3.40003 63.546000 Cu 0.985578 0.915606 0.75 228 63.546 0.0174615 -3.4014 63.546000 Cu 0.985578 0.915606 0.25 232 63.546 0.0174615 -3.4014 63.546000 Cu 0.868117 0.893662 0.75 221 63.546 0.00164544 -3.40649 63.546000 Cu 0.868117 0.893662 0.25 231 63.546 0.00164544 -3.40649 63.546000 Cu 0.837712 0.919469 0.5 244 63.546 0.00383486 -3.40694 63.546000 Cu 0.720685 0.897679 0.5 245 63.546 0.00395998 -3.40729 63.546000 Cu 0.720685 0.897679 6.48935e-16 246 63.546 0.00395998 -3.40729 63.546000 Cu 0.690323 0.923765 0.75 247 63.546 0.018515 -3.40707 63.546000 Cu 0.95618 0.941007 0.5 250 63.546 0.0822576 -3.3919 63.546000 Cu 0.95618 0.941007 9.79519e-16 251 63.546 0.0822576 -3.3919 63.546000 Cu 0.837712 0.919469 1 254 63.546 0.00383486 -3.40694 63.546000 Cu 0.690323 0.923765 0.25 255 63.546 0.018515 -3.40707 63.546000 Cu 0.217268 0.961616 0.75 236 63.546 0.459436 -3.35867 63.546000 Cu 0.217268 0.961616 0.25 240 63.546 0.459436 -3.35867 63.546000 Cu 0.0733052 0.964434 0.5 249 63.546 0.114438 -3.37166 63.546000 Cu 0.199226 0.990719 0.5 257 63.546 3.72154 -3.33567 63.546000 Cu 0.199226 0.990719 3.24425e-16 258 63.546 3.72154 -3.33567 63.546000 Cu 0.0484738 0.989897 0.75 259 63.546 0.9581 -3.39634 63.546000 Cu 0.0733052 0.964434 8.61056e-16 260 63.546 0.114438 -3.37166 63.546000 Cu 0.0484738 0.989897 0.25 262 63.546 0.9581 -3.39634 63.546000 Cu 0.515033 0.952836 0.75 208 63.546 0.0221056 -3.39093 63.546000 Cu 0.515033 0.952836 0.25 212 63.546 0.0221056 -3.39093 63.546000 Cu 0.486982 0.977993 0.5 233 63.546 5.98011 -3.39663 63.546000 Cu 0.366934 0.955629 0.5 234 63.546 0.172922 -3.38753 63.546000 Cu 0.366934 0.955629 6.556e-17 235 63.546 0.172922 -3.38753 63.546000 Cu 0.336789 0.980456 0.75 237 63.546 7.35023 -3.25459 63.546000 Cu 0.486982 0.977993 2.37181e-16 241 63.546 5.98011 -3.39663 63.546000 Cu 0.336789 0.980456 0.25 242 63.546 7.35023 -3.25459 63.546000 Cu 0.634416 0.976744 0.75 267 63.546 6.2002 -3.37465 63.546000 Cu 0.634416 0.976744 0.25 270 63.546 6.2002 -3.37465 63.546000 Cu 0.660362 0.950081 0.5 263 63.546 0.0811614 -3.40329 63.546000 Cu 0.660362 0.950081 7.07407e-16 269 63.546 0.0811614 -3.40329 63.546000 Cu 0.807389 0.945359 0.75 252 63.546 0.0152263 -3.40798 63.546000 Cu 0.927652 0.965909 0.75 253 63.546 0.353101 -3.35579 63.546000 Cu 0.807389 0.945359 0.25 256 63.546 0.0152263 -3.40798 63.546000 Cu 0.927652 0.965909 0.25 261 63.546 0.353101 -3.35579 63.546000 Cu 0.900165 0.990096 0.5 264 63.546 6.05704 -3.20031 63.546000 Cu 0.777823 0.971569 0.5 265 63.546 4.81089 -3.27257 63.546000 Cu 0.777823 0.971569 4.07198e-16 266 63.546 4.81089 -3.27257 63.546000 Cu 0.900165 0.990096 1 271 63.546 6.05704 -3.20031