Number of particles = 592 A = 1 Angstrom (basic length-scale) H0(1,1) = 22.1955 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 88.8352 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.63521 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 0.0851465 0.0135201 1.21388e-16 300 63.546 0.704336 -3.28449 63.546000 Cu 0.16467 0.0135751 0.5 303 63.546 6.46481 -2.97994 63.546000 Cu 0.103982 0.0524405 1.21448e-16 310 63.546 0.119079 -3.2695 63.546000 Cu 0.090407 0.0334735 0.5 311 63.546 0.505785 -3.24992 63.546000 Cu 0.178284 0.0303007 1.21269e-16 313 63.546 3.75378 -3.16405 63.546000 Cu 0.189806 0.0487915 0.5 316 63.546 0.0281787 -3.2795 63.546000 Cu 0.00525121 0.0134786 0.5 301 63.546 0.229964 -3.28024 63.546000 Cu 0.00786561 0.0343845 6.91941e-17 309 63.546 0.392152 -3.27638 63.546000 Cu 0.0211586 0.0552748 0.5 312 63.546 0.188904 -3.27099 63.546000 Cu 0.277141 0.0446279 5.96501e-20 314 63.546 0.740563 -3.19524 63.546000 Cu 0.26229 0.0264939 0.5 315 63.546 9.31498 -2.97764 63.546000 Cu 0.263604 0.000539149 0.5 304 63.546 9.47846 -2.98334 63.546000 Cu 0.338744 0.0135251 3.4955e-17 317 63.546 6.90071 -3.10999 63.546000 Cu 0.429632 0.0354658 1.21328e-16 318 63.546 0.381298 -3.21505 63.546000 Cu 0.422281 0.0134271 0.5 319 63.546 1.02574 -3.24436 63.546000 Cu 0.357453 0.0387273 0.5 320 63.546 0.818148 -3.1653 63.546000 Cu 0.505251 0.0134786 0 321 63.546 0.229964 -3.28024 63.546000 Cu 0.507866 0.0343845 0.5 324 63.546 0.392152 -3.27638 63.546000 Cu 0.521159 0.0552748 1.21328e-16 345 63.546 0.188904 -3.27099 63.546000 Cu 0.590407 0.0334735 0 322 63.546 0.505785 -3.24992 63.546000 Cu 0.585147 0.0135201 0.5 323 63.546 0.704336 -3.28449 63.546000 Cu 0.66467 0.0135751 1.20791e-16 325 63.546 6.46481 -2.97994 63.546000 Cu 0.678284 0.0303007 0.5 328 63.546 3.75378 -3.16405 63.546000 Cu 0.603982 0.0524405 0.5 347 63.546 0.119079 -3.2695 63.546000 Cu 0.689806 0.0487915 1.21448e-16 349 63.546 0.0281787 -3.2795 63.546000 Cu 0.76229 0.0264939 5.54149e-17 326 63.546 9.31498 -2.97764 63.546000 Cu 0.777141 0.0446279 0.5 351 63.546 0.740563 -3.19524 63.546000 Cu 0.763604 0.000539149 0 297 63.546 9.47846 -2.98334 63.546000 Cu 0.922281 0.0134271 0 298 63.546 1.02574 -3.24436 63.546000 Cu 0.838744 0.0135251 0.5 299 63.546 6.90071 -3.10999 63.546000 Cu 0.857453 0.0387273 1.21269e-16 305 63.546 0.818148 -3.1653 63.546000 Cu 0.929632 0.0354658 0.5 307 63.546 0.381298 -3.21505 63.546000 Cu 0.0373939 0.075629 7.8082e-17 333 63.546 0.0401531 -3.27858 63.546000 Cu 0.134525 0.0917125 1.21507e-16 334 63.546 0.010254 -3.28244 63.546000 Cu 0.119331 0.0718841 0.5 335 63.546 0.0204131 -3.27976 63.546000 Cu 0.0526171 0.0955607 0.5 336 63.546 0.00420992 -3.28035 63.546000 Cu 0.203654 0.068009 1.21627e-16 337 63.546 0.0436307 -3.27904 63.546000 Cu 0.216705 0.0879642 0.5 340 63.546 0.0343326 -3.28339 63.546000 Cu 0.229178 0.108388 0 363 63.546 0.00679322 -3.28301 63.546000 Cu 0.297997 0.0847049 5.96501e-20 338 63.546 0.01689 -3.28126 63.546000 Cu 0.287741 0.0640293 0.5 339 63.546 0.151659 -3.27575 63.546000 Cu 0.367887 0.0608618 1.49841e-16 341 63.546 0.115325 -3.27148 63.546000 Cu 0.457544 0.0789457 0 342 63.546 0.052979 -3.28066 63.546000 Cu 0.443776 0.0578706 0.5 343 63.546 0.0779646 -3.25959 63.546000 Cu 0.378108 0.0819393 0.5 344 63.546 0.0278476 -3.28116 63.546000 Cu 0.309627 0.105312 0.5 365 63.546 0.00377953 -3.28191 63.546000 Cu 0.39022 0.102326 1.20791e-16 367 63.546 0.0125556 -3.28134 63.546000 Cu 0.471262 0.0991405 0.5 369 63.546 0.0140392 -3.28056 63.546000 Cu 0.619331 0.0718841 1.21388e-16 346 63.546 0.0204131 -3.27976 63.546000 Cu 0.537394 0.075629 0.5 348 63.546 0.0401531 -3.27858 63.546000 Cu 0.703654 0.068009 0.5 352 63.546 0.0436307 -3.27904 63.546000 Cu 0.552617 0.0955607 1.1089e-16 371 63.546 0.00420992 -3.28035 63.546000 Cu 0.634525 0.0917125 0.5 373 63.546 0.010254 -3.28244 63.546000 Cu 0.716705 0.0879642 0 375 63.546 0.0343326 -3.28339 63.546000 Cu 0.729178 0.108388 0.5 378 63.546 0.00679322 -3.28301 63.546000 Cu 0.943776 0.0578706 0 306 63.546 0.0779646 -3.25959 63.546000 Cu 0.867887 0.0608618 0.5 308 63.546 0.115325 -3.27148 63.546000 Cu 0.878108 0.0819393 0 329 63.546 0.0278476 -3.28116 63.546000 Cu 0.971262 0.0991405 4.30674e-17 330 63.546 0.0140392 -3.28056 63.546000 Cu 0.957544 0.0789457 0.5 331 63.546 0.052979 -3.28066 63.546000 Cu 0.89022 0.102326 0.5 332 63.546 0.0125556 -3.28134 63.546000 Cu 0.787741 0.0640293 0 350 63.546 0.151659 -3.27575 63.546000 Cu 0.809627 0.105312 3.18532e-17 376 63.546 0.00377953 -3.28191 63.546000 Cu 0.797997 0.0847049 0.5 377 63.546 0.01689 -3.28126 63.546000 Cu 0.0668056 0.115479 1.7895e-19 359 63.546 0.00270295 -3.2827 63.546000 Cu 0.161353 0.132134 1.21448e-16 360 63.546 0.00240287 -3.2831 63.546000 Cu 0.148331 0.111831 0.5 361 63.546 0.00924042 -3.28358 63.546000 Cu 0.0802416 0.13556 0.5 362 63.546 0.00262776 -3.28362 63.546000 Cu 0.241915 0.128861 0.5 366 63.546 0.000732889 -3.28237 63.546000 Cu 0.0933535 0.155767 0 385 63.546 0.000815227 -3.28341 63.546000 Cu 0.174331 0.152451 0.5 387 63.546 0.000246649 -3.28281 63.546000 Cu 0.0121245 0.15916 0.5 383 63.546 0.000751338 -3.28356 63.546000 Cu 0.255039 0.149186 0 389 63.546 0.000843861 -3.28244 63.546000 Cu 0.322474 0.125678 1.21149e-16 364 63.546 0.00361075 -3.28216 63.546000 Cu 0.485051 0.119072 1.33079e-16 368 63.546 0.00145594 -3.28215 63.546000 Cu 0.403445 0.122457 0.5 370 63.546 0.00461022 -3.28217 63.546000 Cu 0.349492 0.166047 1.21567e-16 390 63.546 0.000366498 -3.28291 63.546000 Cu 0.335924 0.145896 0.5 391 63.546 0.00144272 -3.28253 63.546000 Cu 0.417101 0.142517 1.2097e-16 393 63.546 0.00080231 -3.28294 63.546000 Cu 0.498705 0.139057 0.5 395 63.546 0.000587314 -3.28344 63.546000 Cu 0.430732 0.162614 0.5 396 63.546 0.000100405 -3.2833 63.546000 Cu 0.512125 0.15916 1.37553e-16 394 63.546 0.000751338 -3.28356 63.546000 Cu 0.648331 0.111831 1.21209e-16 372 63.546 0.00924042 -3.28358 63.546000 Cu 0.566806 0.115479 0.5 374 63.546 0.00270295 -3.2827 63.546000 Cu 0.580242 0.13556 0 397 63.546 0.00262776 -3.28362 63.546000 Cu 0.674331 0.152451 0 398 63.546 0.000246649 -3.28281 63.546000 Cu 0.661353 0.132134 0.5 399 63.546 0.00240287 -3.2831 63.546000 Cu 0.593353 0.155767 0.5 400 63.546 0.000815227 -3.28341 63.546000 Cu 0.741915 0.128861 7.70083e-17 401 63.546 0.000732889 -3.28237 63.546000 Cu 0.755039 0.149186 0.5 402 63.546 0.000843861 -3.28244 63.546000 Cu 0.835924 0.145896 0 353 63.546 0.00144272 -3.28253 63.546000 Cu 0.822474 0.125678 0.5 354 63.546 0.00361075 -3.28216 63.546000 Cu 0.903445 0.122457 2.386e-19 355 63.546 0.00461022 -3.28217 63.546000 Cu 0.998705 0.139057 2.386e-19 356 63.546 0.000587314 -3.28344 63.546000 Cu 0.985051 0.119072 0.5 357 63.546 0.00145594 -3.28215 63.546000 Cu 0.917101 0.142517 0.5 358 63.546 0.00080231 -3.28294 63.546000 Cu 0.849492 0.166047 0.5 380 63.546 0.000366498 -3.28291 63.546000 Cu 0.930732 0.162614 0 381 63.546 0.000100405 -3.2833 63.546000 Cu 0.187474 0.172719 0 386 63.546 0.000172435 -3.28283 63.546000 Cu 0.106533 0.176007 0.5 388 63.546 0.000124653 -3.28309 63.546000 Cu 0.0521807 0.219778 0 406 63.546 1.77036e-05 -3.28299 63.546000 Cu 0.0388715 0.199561 0.5 407 63.546 0.000150057 -3.28311 63.546000 Cu 0.119794 0.196246 0 409 63.546 4.52054e-05 -3.28297 63.546000 Cu 0.214219 0.213112 0 410 63.546 0.000160855 -3.28304 63.546000 Cu 0.200747 0.192933 0.5 411 63.546 0.000326661 -3.28292 63.546000 Cu 0.133168 0.216464 0.5 412 63.546 0.000174616 -3.28297 63.546000 Cu 0.0255015 0.179341 1.7895e-19 382 63.546 0.000516523 -3.28331 63.546000 Cu 0.268396 0.16941 0.5 392 63.546 0.000604208 -3.28277 63.546000 Cu 0.281851 0.189581 0 413 63.546 0.000258805 -3.28297 63.546000 Cu 0.37661 0.20632 1.03553e-16 414 63.546 6.88179e-05 -3.28323 63.546000 Cu 0.363051 0.186178 0.5 415 63.546 3.12287e-05 -3.28312 63.546000 Cu 0.295356 0.209723 0.5 416 63.546 3.87356e-05 -3.28309 63.546000 Cu 0.444322 0.182751 1.21328e-16 417 63.546 0.000170571 -3.28331 63.546000 Cu 0.457812 0.202915 0.5 420 63.546 0.000304577 -3.28325 63.546000 Cu 0.525501 0.179341 0.5 419 63.546 0.000516523 -3.28331 63.546000 Cu 0.538872 0.199561 1.193e-19 418 63.546 0.000150057 -3.28311 63.546000 Cu 0.606533 0.176007 0 421 63.546 0.000124653 -3.28309 63.546000 Cu 0.700747 0.192933 5.96501e-20 422 63.546 0.000326661 -3.28292 63.546000 Cu 0.687474 0.172719 0.5 423 63.546 0.000172435 -3.28283 63.546000 Cu 0.619794 0.196246 0.5 424 63.546 4.52054e-05 -3.28297 63.546000 Cu 0.552181 0.219778 0.5 445 63.546 1.77036e-05 -3.28299 63.546000 Cu 0.633168 0.216464 1.193e-19 447 63.546 0.000174616 -3.28297 63.546000 Cu 0.714219 0.213112 0.5 449 63.546 0.000160855 -3.28304 63.546000 Cu 0.768396 0.16941 1.7895e-19 425 63.546 0.000604208 -3.28277 63.546000 Cu 0.863051 0.186178 1.7895e-19 379 63.546 3.12287e-05 -3.28312 63.546000 Cu 0.944322 0.182751 0.5 384 63.546 0.000170571 -3.28331 63.546000 Cu 0.87661 0.20632 0.5 404 63.546 6.88179e-05 -3.28323 63.546000 Cu 0.957812 0.202915 7.39661e-18 405 63.546 0.000304577 -3.28325 63.546000 Cu 0.781851 0.189581 0.5 426 63.546 0.000258805 -3.28297 63.546000 Cu 0.795356 0.209723 2.98251e-19 451 63.546 3.87356e-05 -3.28309 63.546000 Cu 0.078948 0.260166 0 432 63.546 4.43515e-05 -3.28301 63.546000 Cu 0.0655396 0.239978 0.5 433 63.546 2.83551e-05 -3.28295 63.546000 Cu 0.146614 0.236641 6.38256e-18 435 63.546 9.38431e-05 -3.28301 63.546000 Cu 0.241232 0.253421 0 436 63.546 5.10105e-06 -3.28316 63.546000 Cu 0.227774 0.233276 0.5 437 63.546 7.07288e-05 -3.28311 63.546000 Cu 0.160043 0.256807 0.5 438 63.546 5.78477e-05 -3.28313 63.546000 Cu 0.173494 0.276973 0 461 63.546 3.65217e-05 -3.28322 63.546000 Cu 0.254672 0.273577 0.5 463 63.546 2.74862e-05 -3.28319 63.546000 Cu 0.308909 0.229874 1.2103e-16 439 63.546 1.73755e-05 -3.28318 63.546000 Cu 0.403486 0.246661 5.17763e-17 440 63.546 4.30517e-05 -3.28312 63.546000 Cu 0.390056 0.226482 0.5 441 63.546 8.52141e-05 -3.28321 63.546000 Cu 0.322432 0.25004 0.5 442 63.546 8.65356e-05 -3.28312 63.546000 Cu 0.471144 0.223111 1.21149e-16 443 63.546 8.78991e-05 -3.28316 63.546000 Cu 0.484531 0.243308 0.5 446 63.546 1.9906e-05 -3.28305 63.546000 Cu 0.335804 0.270204 0 465 63.546 2.18982e-05 -3.28303 63.546000 Cu 0.416906 0.266845 0.5 467 63.546 3.09762e-05 -3.283 63.546000 Cu 0.497921 0.2635 1.20911e-16 469 63.546 3.80343e-06 -3.28297 63.546000 Cu 0.56554 0.239978 0 444 63.546 2.83551e-05 -3.28295 63.546000 Cu 0.727774 0.233276 0 448 63.546 7.07288e-05 -3.28311 63.546000 Cu 0.646614 0.236641 0.5 450 63.546 9.38431e-05 -3.28301 63.546000 Cu 0.578948 0.260166 0.5 471 63.546 4.43515e-05 -3.28301 63.546000 Cu 0.660043 0.256807 0 473 63.546 5.78477e-05 -3.28313 63.546000 Cu 0.741232 0.253421 0.5 475 63.546 5.10105e-06 -3.28316 63.546000 Cu 0.673494 0.276973 0.5 476 63.546 3.65217e-05 -3.28322 63.546000 Cu 0.754672 0.273577 1.21209e-16 474 63.546 2.74862e-05 -3.28319 63.546000 Cu 0.890056 0.226482 2.98251e-19 403 63.546 8.52141e-05 -3.28321 63.546000 Cu 0.971144 0.223111 0.5 408 63.546 8.78991e-05 -3.28316 63.546000 Cu 0.822432 0.25004 0 427 63.546 8.65356e-05 -3.28312 63.546000 Cu 0.916906 0.266845 5.96501e-20 428 63.546 3.09762e-05 -3.283 63.546000 Cu 0.903486 0.246661 0.5 429 63.546 4.30517e-05 -3.28312 63.546000 Cu 0.835804 0.270204 0.5 430 63.546 2.18982e-05 -3.28303 63.546000 Cu 0.984531 0.243308 5.96501e-20 431 63.546 1.9906e-05 -3.28305 63.546000 Cu 0.997921 0.2635 0.5 434 63.546 3.80343e-06 -3.28297 63.546000 Cu 0.808909 0.229874 0.5 452 63.546 1.73755e-05 -3.28318 63.546000 Cu 0.105848 0.300526 2.02214e-17 458 63.546 8.27774e-05 -3.2832 63.546000 Cu 0.092376 0.28035 0.5 459 63.546 7.76834e-05 -3.28309 63.546000 Cu 0.186999 0.297133 0.5 464 63.546 2.26673e-06 -3.2832 63.546000 Cu 0.0381004 0.324074 0 481 63.546 0.000203378 -3.28319 63.546000 Cu 0.119292 0.320687 0.5 483 63.546 5.35856e-05 -3.28325 63.546000 Cu 0.200509 0.317289 0 485 63.546 2.90921e-05 -3.28311 63.546000 Cu 0.0113263 0.283691 1.193e-19 457 63.546 9.12024e-06 -3.28301 63.546000 Cu 0.0247365 0.303881 0.5 460 63.546 4.69629e-05 -3.28313 63.546000 Cu 0.268147 0.29374 0 462 63.546 3.905e-05 -3.28312 63.546000 Cu 0.430274 0.28702 7.99908e-17 466 63.546 3.49011e-05 -3.28296 63.546000 Cu 0.349237 0.290371 0.5 468 63.546 4.22892e-05 -3.283 63.546000 Cu 0.281632 0.313903 0.5 487 63.546 0.000102275 -3.28303 63.546000 Cu 0.362714 0.310558 6.48993e-17 489 63.546 6.03823e-05 -3.283 63.546000 Cu 0.457099 0.32743 1.2103e-16 490 63.546 4.22859e-05 -3.28305 63.546000 Cu 0.443683 0.307211 0.5 491 63.546 3.75486e-05 -3.28301 63.546000 Cu 0.376119 0.330758 0.5 492 63.546 3.74892e-05 -3.28298 63.546000 Cu 0.511326 0.283691 0.5 472 63.546 9.12024e-06 -3.28301 63.546000 Cu 0.524736 0.303881 1.21149e-16 493 63.546 4.69629e-05 -3.28313 63.546000 Cu 0.592376 0.28035 0 470 63.546 7.76834e-05 -3.28309 63.546000 Cu 0.619292 0.320687 1.80322e-16 494 63.546 5.35856e-05 -3.28325 63.546000 Cu 0.605848 0.300526 0.5 495 63.546 8.27774e-05 -3.2832 63.546000 Cu 0.5381 0.324074 0.5 496 63.546 0.000203378 -3.28319 63.546000 Cu 0.686999 0.297133 5.97098e-17 497 63.546 2.26673e-06 -3.2832 63.546000 Cu 0.700509 0.317289 0.5 500 63.546 2.90921e-05 -3.28311 63.546000 Cu 0.768147 0.29374 0.5 499 63.546 3.905e-05 -3.28312 63.546000 Cu 0.849237 0.290371 1.7895e-19 453 63.546 4.22892e-05 -3.283 63.546000 Cu 0.943683 0.307211 0 454 63.546 3.75486e-05 -3.28301 63.546000 Cu 0.930274 0.28702 0.5 455 63.546 3.49011e-05 -3.28296 63.546000 Cu 0.862714 0.310558 0.5 456 63.546 6.03823e-05 -3.283 63.546000 Cu 0.876119 0.330758 5.96501e-20 477 63.546 3.74892e-05 -3.28298 63.546000 Cu 0.957099 0.32743 0.5 479 63.546 4.22859e-05 -3.28305 63.546000 Cu 0.781632 0.313903 0 498 63.546 0.000102275 -3.28303 63.546000 Cu 0.132768 0.340827 0 482 63.546 0.000110815 -3.28316 63.546000 Cu 0.0515695 0.344251 0.5 484 63.546 0.000296117 -3.28328 63.546000 Cu 0.214015 0.337432 0.5 488 63.546 0.000173761 -3.28298 63.546000 Cu 0.0652236 0.364396 0 507 63.546 0.000227311 -3.28322 63.546000 Cu 0.160319 0.381086 1.7895e-19 508 63.546 0.00168578 -3.28247 63.546000 Cu 0.146468 0.360949 0.5 509 63.546 0.000370394 -3.28285 63.546000 Cu 0.0791933 0.384489 0.5 510 63.546 0.000629175 -3.28291 63.546000 Cu 0.227611 0.357585 0 511 63.546 0.000566411 -3.28271 63.546000 Cu 0.241158 0.377792 0.5 514 63.546 0.000908462 -3.28244 63.546000 Cu 0.295121 0.334085 0 486 63.546 0.000138303 -3.28291 63.546000 Cu 0.321938 0.374531 1.79547e-17 512 63.546 0.000178411 -3.28289 63.546000 Cu 0.308602 0.354286 0.5 513 63.546 0.000179724 -3.28285 63.546000 Cu 0.389536 0.350986 4.84359e-17 515 63.546 4.03772e-05 -3.28311 63.546000 Cu 0.483981 0.367854 0 516 63.546 0.00102582 -3.28355 63.546000 Cu 0.470472 0.347652 0.5 517 63.546 0.000382137 -3.28325 63.546000 Cu 0.402878 0.371234 0.5 518 63.546 0.000712668 -3.28341 63.546000 Cu 0.497718 0.387967 0.5 543 63.546 0.000769276 -3.28348 63.546000 Cu 0.55157 0.344251 1.2109e-16 519 63.546 0.000296117 -3.28328 63.546000 Cu 0.646468 0.360949 5.96501e-20 520 63.546 0.000370394 -3.28285 63.546000 Cu 0.632768 0.340827 0.5 521 63.546 0.000110815 -3.28316 63.546000 Cu 0.565224 0.364396 0.5 522 63.546 0.000227311 -3.28322 63.546000 Cu 0.714015 0.337432 0 523 63.546 0.000173761 -3.28298 63.546000 Cu 0.727611 0.357585 0.5 526 63.546 0.000566411 -3.28271 63.546000 Cu 0.579193 0.384489 3.89515e-17 545 63.546 0.000629175 -3.28291 63.546000 Cu 0.660319 0.381086 0.5 547 63.546 0.00168578 -3.28247 63.546000 Cu 0.741158 0.377792 2.98251e-19 549 63.546 0.000908462 -3.28244 63.546000 Cu 0.970472 0.347652 0 478 63.546 0.000382137 -3.28325 63.546000 Cu 0.889536 0.350986 0.5 480 63.546 4.03772e-05 -3.28311 63.546000 Cu 0.821938 0.374531 0.5 502 63.546 0.000178411 -3.28289 63.546000 Cu 0.902878 0.371234 0 503 63.546 0.000712668 -3.28341 63.546000 Cu 0.997718 0.387967 0 504 63.546 0.000769276 -3.28348 63.546000 Cu 0.983981 0.367854 0.5 505 63.546 0.00102582 -3.28355 63.546000 Cu 0.808602 0.354286 0 524 63.546 0.000179724 -3.28285 63.546000 Cu 0.795121 0.334085 0.5 525 63.546 0.000138303 -3.28291 63.546000 Cu 0.0932504 0.404567 0 533 63.546 0.00433888 -3.28214 63.546000 Cu 0.18745 0.421688 0 534 63.546 0.00369824 -3.28185 63.546000 Cu 0.174123 0.401317 0.5 535 63.546 0.00322018 -3.28209 63.546000 Cu 0.106858 0.424695 0.5 536 63.546 0.0108987 -3.28116 63.546000 Cu 0.199601 0.442269 0.5 559 63.546 0.0146966 -3.28191 63.546000 Cu 0.025778 0.427862 0 530 63.546 0.0141201 -3.2805 63.546000 Cu 0.0116944 0.407947 0.5 531 63.546 0.00121915 -3.28214 63.546000 Cu 0.254569 0.398111 0 537 63.546 0.000543707 -3.28241 63.546000 Cu 0.267773 0.418576 0.5 540 63.546 0.00557388 -3.28304 63.546000 Cu 0.348507 0.415137 2.08775e-18 538 63.546 0.00829248 -3.28376 63.546000 Cu 0.335122 0.394836 0.5 539 63.546 0.00217651 -3.28324 63.546000 Cu 0.416193 0.391433 5.96501e-20 541 63.546 0.00271541 -3.2837 63.546000 Cu 0.429913 0.411516 0.5 544 63.546 0.00319388 -3.28289 63.546000 Cu 0.280811 0.438997 0 561 63.546 0.0295085 -3.28404 63.546000 Cu 0.362728 0.435277 0.5 563 63.546 0.00982192 -3.28278 63.546000 Cu 0.444441 0.431445 0 565 63.546 0.00421586 -3.28045 63.546000 Cu 0.511694 0.407947 0 542 63.546 0.00121915 -3.28214 63.546000 Cu 0.525778 0.427862 0.5 567 63.546 0.0141201 -3.2805 63.546000 Cu 0.674123 0.401317 0 546 63.546 0.00322018 -3.28209 63.546000 Cu 0.59325 0.404567 0.5 548 63.546 0.00433888 -3.28214 63.546000 Cu 0.606858 0.424695 0 569 63.546 0.0108987 -3.28116 63.546000 Cu 0.699601 0.442269 0 570 63.546 0.0146966 -3.28191 63.546000 Cu 0.68745 0.421688 0.5 571 63.546 0.00369824 -3.28185 63.546000 Cu 0.754569 0.398111 0.5 550 63.546 0.000543707 -3.28241 63.546000 Cu 0.767773 0.418576 0 573 63.546 0.00557388 -3.28304 63.546000 Cu 0.835122 0.394836 1.193e-19 501 63.546 0.00217651 -3.28324 63.546000 Cu 0.916193 0.391433 0.5 506 63.546 0.00271541 -3.2837 63.546000 Cu 0.862728 0.435277 5.83378e-17 527 63.546 0.00982192 -3.28278 63.546000 Cu 0.848507 0.415137 0.5 528 63.546 0.00829248 -3.28376 63.546000 Cu 0.929913 0.411516 0 529 63.546 0.00319388 -3.28289 63.546000 Cu 0.944441 0.431445 0.5 532 63.546 0.00421586 -3.28045 63.546000 Cu 0.780811 0.438997 0.5 574 63.546 0.0295085 -3.28404 63.546000 Cu 0.0543479 0.469093 9.54402e-19 554 63.546 0.0734693 -3.25951 63.546000 Cu 0.039937 0.448048 0.5 555 63.546 0.0507974 -3.28034 63.546000 Cu 0.119404 0.445054 0 557 63.546 0.025218 -3.28136 63.546000 Cu 0.21047 0.462913 0 558 63.546 0.132965 -3.2789 63.546000 Cu 0.130342 0.466064 0.5 560 63.546 0.110774 -3.27465 63.546000 Cu 0.0693606 0.491427 0.5 578 63.546 0.376182 -3.21189 63.546000 Cu 0.141487 0.488117 5.96501e-20 579 63.546 0.7923 -3.16547 63.546000 Cu 0.221501 0.482369 0.5 580 63.546 0.740158 -3.20181 63.546000 Cu 0.378365 0.455146 1.193e-19 562 63.546 0.0192539 -3.27967 63.546000 Cu 0.294262 0.458986 0.5 564 63.546 0.041281 -3.28016 63.546000 Cu 0.460115 0.451391 0.5 568 63.546 0.0355883 -3.27808 63.546000 Cu 0.308605 0.478273 0 581 63.546 0.0290489 -3.28165 63.546000 Cu 0.408506 0.493586 0 582 63.546 0.486878 -3.24552 63.546000 Cu 0.394146 0.474627 0.5 583 63.546 0.105998 -3.26862 63.546000 Cu 0.476954 0.471726 3.0004e-17 585 63.546 0.178185 -3.26879 63.546000 Cu 0.491075 0.492584 0.5 588 63.546 0.375106 -3.27336 63.546000 Cu 0.320435 0.496892 0.5 584 63.546 3.87999 -3.16771 63.546000 Cu 0.539937 0.448048 0 566 63.546 0.0507974 -3.28034 63.546000 Cu 0.619404 0.445054 0.5 572 63.546 0.025218 -3.28136 63.546000 Cu 0.569361 0.491427 0 586 63.546 0.376182 -3.21189 63.546000 Cu 0.554348 0.469093 0.5 587 63.546 0.0734693 -3.25951 63.546000 Cu 0.630342 0.466064 0 589 63.546 0.110774 -3.27465 63.546000 Cu 0.721501 0.482369 0 590 63.546 0.740158 -3.20181 63.546000 Cu 0.71047 0.462913 0.5 591 63.546 0.132965 -3.2789 63.546000 Cu 0.641487 0.488117 0.5 592 63.546 0.7923 -3.16547 63.546000 Cu 0.808605 0.478273 0.5 1 63.546 0.0290489 -3.28165 63.546000 Cu 0.794262 0.458986 7.39661e-18 10 63.546 0.041281 -3.28016 63.546000 Cu 0.894146 0.474627 0 551 63.546 0.105998 -3.26862 63.546000 Cu 0.878365 0.455146 0.5 552 63.546 0.0192539 -3.27967 63.546000 Cu 0.960115 0.451391 0 553 63.546 0.0355883 -3.27808 63.546000 Cu 0.976954 0.471726 0.5 556 63.546 0.178185 -3.26879 63.546000 Cu 0.908506 0.493586 0.5 576 63.546 0.486878 -3.24552 63.546000 Cu 0.991075 0.492584 0 577 63.546 0.375106 -3.27336 63.546000 Cu 0.820435 0.496892 8.7626e-17 575 63.546 3.87999 -3.16771 63.546000 Cu 0.077775 0.513436 0 5 63.546 1.02706 -3.24407 63.546000 Cu 0.161275 0.513499 0.5 7 63.546 6.89691 -3.10934 63.546000 Cu 0.236496 0.500535 0 8 63.546 9.46359 -2.98333 63.546000 Cu 0.070377 0.535479 0.5 29 63.546 0.382953 -3.21448 63.546000 Cu 0.142538 0.538749 4.77201e-19 31 63.546 0.817426 -3.16443 63.546000 Cu 0.237629 0.52649 2.386e-19 9 63.546 9.33134 -2.97778 63.546000 Cu 0.222831 0.544635 0.5 34 63.546 0.743535 -3.19536 63.546000 Cu 0.33536 0.513576 0 11 63.546 6.45904 -2.98063 63.546000 Cu 0.409625 0.533477 1.69406e-17 12 63.546 0.508563 -3.24982 63.546000 Cu 0.414899 0.513531 0.5 13 63.546 0.702314 -3.28471 63.546000 Cu 0.321688 0.530295 0.5 14 63.546 3.76342 -3.16377 63.546000 Cu 0.310145 0.548787 0 35 63.546 0.0284459 -3.2797 63.546000 Cu 0.395956 0.552442 0.5 37 63.546 0.117452 -3.26948 63.546000 Cu 0.494829 0.513486 0 15 63.546 0.231256 -3.28024 63.546000 Cu 0.492159 0.5344 0.5 18 63.546 0.39389 -3.27618 63.546000 Cu 0.478818 0.555287 2.12354e-17 39 63.546 0.189884 -3.27088 63.546000 Cu 0.736496 0.500535 0.5 2 63.546 9.46359 -2.98333 63.546000 Cu 0.570377 0.535479 2.63057e-17 16 63.546 0.382953 -3.21448 63.546000 Cu 0.577775 0.513436 0.5 17 63.546 1.02706 -3.24407 63.546000 Cu 0.661275 0.513499 0 19 63.546 6.89691 -3.10934 63.546000 Cu 0.642538 0.538749 0.5 22 63.546 0.817426 -3.16443 63.546000 Cu 0.722831 0.544635 3.7341e-17 20 63.546 0.743535 -3.19536 63.546000 Cu 0.737629 0.52649 0.5 21 63.546 9.33134 -2.97778 63.546000 Cu 0.994829 0.513486 0.5 6 63.546 0.231256 -3.28024 63.546000 Cu 0.992159 0.5344 2.386e-19 27 63.546 0.39389 -3.27618 63.546000 Cu 0.978818 0.555287 0.5 30 63.546 0.189884 -3.27088 63.546000 Cu 0.914899 0.513531 1.23893e-16 3 63.546 0.702314 -3.28471 63.546000 Cu 0.83536 0.513576 0.5 4 63.546 6.45904 -2.98063 63.546000 Cu 0.821688 0.530295 0 23 63.546 3.76342 -3.16377 63.546000 Cu 0.895956 0.552442 8.82822e-18 24 63.546 0.117452 -3.26948 63.546000 Cu 0.909625 0.533477 0.5 25 63.546 0.508563 -3.24982 63.546000 Cu 0.810145 0.548787 0.5 26 63.546 0.0284459 -3.2797 63.546000 Cu 0.0561886 0.557888 0 28 63.546 0.0784049 -3.25946 63.546000 Cu 0.132083 0.560878 0.5 32 63.546 0.114479 -3.27169 63.546000 Cu 0.212205 0.56404 0 33 63.546 0.151189 -3.27591 63.546000 Cu 0.0286461 0.599152 0 52 63.546 0.0138596 -3.28055 63.546000 Cu 0.042383 0.578962 0.5 53 63.546 0.053324 -3.28071 63.546000 Cu 0.121835 0.581959 0 55 63.546 0.0284418 -3.28117 63.546000 Cu 0.109676 0.602341 0.5 56 63.546 0.0123972 -3.2813 63.546000 Cu 0.190277 0.605328 3.57901e-19 57 63.546 0.0037226 -3.28189 63.546000 Cu 0.201928 0.58472 0.5 58 63.546 0.0166983 -3.28129 63.546000 Cu 0.380584 0.571889 3.57901e-19 36 63.546 0.0201727 -3.27975 63.546000 Cu 0.296272 0.568014 0.5 38 63.546 0.0436878 -3.2792 63.546000 Cu 0.462523 0.575637 0.5 42 63.546 0.0397387 -3.27859 63.546000 Cu 0.283191 0.587977 0 59 63.546 0.0341029 -3.28345 63.546000 Cu 0.365372 0.591718 0.5 61 63.546 0.0104898 -3.28245 63.546000 Cu 0.270727 0.608401 0.5 62 63.546 0.00665209 -3.283 63.546000 Cu 0.447271 0.595571 5.96501e-20 63 63.546 0.00430232 -3.28037 63.546000 Cu 0.542383 0.578962 0 40 63.546 0.053324 -3.28071 63.546000 Cu 0.556189 0.557888 0.5 41 63.546 0.0784049 -3.25946 63.546000 Cu 0.632083 0.560878 1.193e-19 43 63.546 0.114479 -3.27169 63.546000 Cu 0.701928 0.58472 0 44 63.546 0.0166983 -3.28129 63.546000 Cu 0.712205 0.56404 0.5 45 63.546 0.151189 -3.27591 63.546000 Cu 0.621835 0.581959 0.5 46 63.546 0.0284418 -3.28117 63.546000 Cu 0.528646 0.599152 0.5 65 63.546 0.0138596 -3.28055 63.546000 Cu 0.609676 0.602341 0 67 63.546 0.0123972 -3.2813 63.546000 Cu 0.690277 0.605328 0.5 69 63.546 0.0037226 -3.28189 63.546000 Cu 0.796272 0.568014 0 47 63.546 0.0436878 -3.2792 63.546000 Cu 0.865372 0.591718 0 48 63.546 0.0104898 -3.28245 63.546000 Cu 0.880584 0.571889 0.5 49 63.546 0.0201727 -3.27975 63.546000 Cu 0.783191 0.587977 0.5 50 63.546 0.0341029 -3.28345 63.546000 Cu 0.962523 0.575637 0 51 63.546 0.0397387 -3.27859 63.546000 Cu 0.947271 0.595571 0.5 54 63.546 0.00430232 -3.28037 63.546000 Cu 0.770727 0.608401 3.57901e-19 71 63.546 0.00665209 -3.283 63.546000 Cu 0.0011799 0.639068 0 76 63.546 0.00056306 -3.28344 63.546000 Cu 0.0148563 0.619083 0.5 77 63.546 0.00144169 -3.28219 63.546000 Cu 0.0964579 0.622472 0 79 63.546 0.00469417 -3.28222 63.546000 Cu 0.163979 0.645911 0 80 63.546 0.00164326 -3.28252 63.546000 Cu 0.0827831 0.642535 0.5 81 63.546 0.000814302 -3.28295 63.546000 Cu 0.177429 0.625693 0.5 82 63.546 0.00363502 -3.28217 63.546000 Cu 0.0691361 0.662622 1.06177e-17 103 63.546 9.94349e-05 -3.28328 63.546000 Cu 0.1504 0.666051 0.5 105 63.546 0.000354957 -3.2829 63.546000 Cu 0.244846 0.649192 0.5 86 63.546 0.000831591 -3.28242 63.546000 Cu 0.351572 0.611836 1 60 63.546 0.00924722 -3.28357 63.546000 Cu 0.433088 0.615488 0.5 66 63.546 0.00268197 -3.28269 63.546000 Cu 0.257973 0.628864 4.77201e-19 83 63.546 0.00070698 -3.28237 63.546000 Cu 0.325544 0.652454 4.59306e-17 84 63.546 0.000251071 -3.2828 63.546000 Cu 0.338543 0.632138 0.5 85 63.546 0.00237348 -3.28311 63.546000 Cu 0.419629 0.635567 0 87 63.546 0.00271245 -3.2836 63.546000 Cu 0.406508 0.655771 0.5 90 63.546 0.000865029 -3.2834 63.546000 Cu 0.487731 0.659167 1.7895e-19 88 63.546 0.000837869 -3.28357 63.546000 Cu 0.514856 0.619083 3.82954e-17 64 63.546 0.00144169 -3.28219 63.546000 Cu 0.677429 0.625693 0 68 63.546 0.00363502 -3.28217 63.546000 Cu 0.596458 0.622472 0.5 70 63.546 0.00469417 -3.28222 63.546000 Cu 0.50118 0.639068 0.5 89 63.546 0.00056306 -3.28344 63.546000 Cu 0.582783 0.642535 0 91 63.546 0.000814302 -3.28295 63.546000 Cu 0.6504 0.666051 0 92 63.546 0.000354957 -3.2829 63.546000 Cu 0.663979 0.645911 0.5 93 63.546 0.00164326 -3.28252 63.546000 Cu 0.569136 0.662622 0.5 94 63.546 9.94349e-05 -3.28328 63.546000 Cu 0.744846 0.649192 5.96501e-20 95 63.546 0.000831591 -3.28242 63.546000 Cu 0.987731 0.659167 0.5 101 63.546 0.000837869 -3.28357 63.546000 Cu 0.838543 0.632138 2.386e-19 72 63.546 0.00237348 -3.28311 63.546000 Cu 0.851572 0.611836 0.5 73 63.546 0.00924722 -3.28357 63.546000 Cu 0.757973 0.628864 0.5 74 63.546 0.00070698 -3.28237 63.546000 Cu 0.933088 0.615488 3.57901e-19 75 63.546 0.00268197 -3.28269 63.546000 Cu 0.919629 0.635567 0.5 78 63.546 0.00271245 -3.2836 63.546000 Cu 0.825544 0.652454 0.5 97 63.546 0.000251071 -3.2828 63.546000 Cu 0.906508 0.655771 5.75027e-17 99 63.546 0.000865029 -3.2834 63.546000 Cu 0.136865 0.686182 8.16013e-17 104 63.546 2.92078e-05 -3.28314 63.546000 Cu 0.0555927 0.682751 0.5 106 63.546 0.000190495 -3.28332 63.546000 Cu 0.21808 0.689584 0.5 110 63.546 0.000287708 -3.28296 63.546000 Cu 0.0421529 0.702913 1.89568e-16 127 63.546 0.000300902 -3.28324 63.546000 Cu 0.123321 0.70632 0.5 129 63.546 0.000108236 -3.28322 63.546000 Cu 0.204569 0.709728 3.06005e-17 131 63.546 3.79284e-05 -3.28306 63.546000 Cu 0.231528 0.669415 1.39581e-17 107 63.546 0.000687489 -3.28272 63.546000 Cu 0.299133 0.692941 0 108 63.546 0.000313424 -3.28291 63.546000 Cu 0.312417 0.672721 0.5 109 63.546 0.000160739 -3.28284 63.546000 Cu 0.393354 0.676017 0 111 63.546 0.000101883 -3.28313 63.546000 Cu 0.461055 0.699565 0 112 63.546 0.000131597 -3.28312 63.546000 Cu 0.380108 0.696252 0.5 114 63.546 5.09671e-05 -3.28298 63.546000 Cu 0.285688 0.713113 0.5 133 63.546 0.000131032 -3.28294 63.546000 Cu 0.366783 0.716456 3.1197e-17 135 63.546 0.000132692 -3.28293 63.546000 Cu 0.447808 0.719774 0.5 137 63.546 2.55234e-05 -3.283 63.546000 Cu 0.474357 0.679351 0.5 113 63.546 0.00051803 -3.28334 63.546000 Cu 0.555593 0.682751 0 115 63.546 0.000190495 -3.28332 63.546000 Cu 0.623321 0.70632 5.96501e-20 116 63.546 0.000108236 -3.28322 63.546000 Cu 0.636865 0.686182 0.5 117 63.546 2.92078e-05 -3.28314 63.546000 Cu 0.542153 0.702913 0.5 118 63.546 0.000300902 -3.28324 63.546000 Cu 0.71808 0.689584 0 119 63.546 0.000287708 -3.28296 63.546000 Cu 0.704569 0.709728 0.5 122 63.546 3.79284e-05 -3.28306 63.546000 Cu 0.731528 0.669415 0.5 98 63.546 0.000687489 -3.28272 63.546000 Cu 0.974357 0.679351 1.01465e-16 100 63.546 0.00051803 -3.28334 63.546000 Cu 0.812417 0.672721 7.24152e-17 96 63.546 0.000160739 -3.28284 63.546000 Cu 0.893354 0.676017 0.5 102 63.546 0.000101883 -3.28313 63.546000 Cu 0.785688 0.713113 0 120 63.546 0.000131032 -3.28294 63.546000 Cu 0.799133 0.692941 0.5 121 63.546 0.000313424 -3.28291 63.546000 Cu 0.880108 0.696252 1.61055e-16 123 63.546 5.09671e-05 -3.28298 63.546000 Cu 0.947808 0.719774 1.14826e-16 124 63.546 2.55234e-05 -3.283 63.546000 Cu 0.961055 0.699565 0.5 125 63.546 0.000131597 -3.28312 63.546000 Cu 0.866783 0.716456 0.5 126 63.546 0.000132692 -3.28293 63.546000 Cu 0.109924 0.726484 0 128 63.546 8.43461e-05 -3.28323 63.546000 Cu 0.0288538 0.723113 0.5 130 63.546 5.604e-05 -3.28316 63.546000 Cu 0.191088 0.729878 0.5 134 63.546 1.53463e-05 -3.28316 63.546000 Cu 0.0154938 0.743308 1.14826e-16 151 63.546 1.02555e-05 -3.28303 63.546000 Cu 0.0831695 0.766841 1.193e-19 152 63.546 2.93881e-05 -3.283 63.546000 Cu 0.0965694 0.746665 0.5 153 63.546 2.45724e-05 -3.28311 63.546000 Cu 0.00211175 0.763494 0.5 154 63.546 6.81022e-06 -3.28299 63.546000 Cu 0.164296 0.770206 0.5 155 63.546 1.51881e-05 -3.28308 63.546000 Cu 0.177651 0.750041 0 156 63.546 3.37012e-05 -3.28315 63.546000 Cu 0.24544 0.773584 0 157 63.546 1.17143e-05 -3.28322 63.546000 Cu 0.272224 0.733267 4.39025e-17 132 63.546 4.58129e-05 -3.28305 63.546000 Cu 0.434464 0.739967 1 136 63.546 1.68282e-05 -3.28292 63.546000 Cu 0.353397 0.736623 0.5 138 63.546 4.87074e-05 -3.28298 63.546000 Cu 0.258852 0.753418 0.5 158 63.546 1.20151e-05 -3.28319 63.546000 Cu 0.339996 0.756795 0 159 63.546 3.50616e-05 -3.28314 63.546000 Cu 0.421069 0.76015 0.5 161 63.546 8.60756e-06 -3.28303 63.546000 Cu 0.326578 0.776976 0.5 162 63.546 4.32587e-05 -3.28322 63.546000 Cu 0.528854 0.723113 0 139 63.546 5.604e-05 -3.28316 63.546000 Cu 0.596569 0.746665 1.193e-19 140 63.546 2.45724e-05 -3.28311 63.546000 Cu 0.609924 0.726484 0.5 141 63.546 8.43461e-05 -3.28323 63.546000 Cu 0.515494 0.743308 0.5 142 63.546 1.02555e-05 -3.28303 63.546000 Cu 0.691088 0.729878 8.88787e-18 143 63.546 1.53463e-05 -3.28316 63.546000 Cu 0.677651 0.750041 0.5 146 63.546 3.37012e-05 -3.28315 63.546000 Cu 0.502112 0.763494 5.96501e-19 163 63.546 6.81022e-06 -3.28299 63.546000 Cu 0.583169 0.766841 0.5 165 63.546 2.93881e-05 -3.283 63.546000 Cu 0.664296 0.770206 0 167 63.546 1.51881e-05 -3.28308 63.546000 Cu 0.74544 0.773584 0.5 169 63.546 1.17143e-05 -3.28322 63.546000 Cu 0.758852 0.753418 0 144 63.546 1.20151e-05 -3.28319 63.546000 Cu 0.772224 0.733267 0.5 145 63.546 4.58129e-05 -3.28305 63.546000 Cu 0.853397 0.736623 6.56151e-18 147 63.546 4.87074e-05 -3.28298 63.546000 Cu 0.921069 0.76015 8.29136e-18 148 63.546 8.60756e-06 -3.28303 63.546000 Cu 0.934464 0.739967 0.5 149 63.546 1.68282e-05 -3.28292 63.546000 Cu 0.839996 0.756795 0.5 150 63.546 3.50616e-05 -3.28314 63.546000 Cu 0.826578 0.776976 0 171 63.546 4.32587e-05 -3.28322 63.546000 Cu 0.0564521 0.807207 0 176 63.546 3.94379e-05 -3.28304 63.546000 Cu 0.0698237 0.787013 0.5 177 63.546 5.80194e-05 -3.28299 63.546000 Cu 0.150874 0.790374 0 179 63.546 3.51462e-05 -3.28301 63.546000 Cu 0.137448 0.810558 0.5 180 63.546 6.00527e-05 -3.28299 63.546000 Cu 0.218551 0.813909 1 181 63.546 9.13432e-05 -3.28303 63.546000 Cu 0.0430628 0.827428 0.5 201 63.546 3.35977e-05 -3.28309 63.546000 Cu 0.124075 0.830754 1 203 63.546 5.23414e-05 -3.283 63.546000 Cu 0.231979 0.793751 0.5 182 63.546 1.94598e-05 -3.2831 63.546000 Cu 0.40769 0.780341 1 160 63.546 3.87906e-05 -3.28313 63.546000 Cu 0.313136 0.797143 1 183 63.546 1.44142e-05 -3.28317 63.546000 Cu 0.380883 0.820692 0 184 63.546 6.31317e-05 -3.28319 63.546000 Cu 0.39429 0.800528 0.5 185 63.546 8.51779e-05 -3.28316 63.546000 Cu 0.299696 0.8173 0.5 186 63.546 1.07394e-05 -3.28308 63.546000 Cu 0.462056 0.82407 0.5 190 63.546 0.000158733 -3.28321 63.546000 Cu 0.488741 0.783684 0.5 166 63.546 6.80431e-06 -3.28305 63.546000 Cu 0.47539 0.803874 1 187 63.546 2.62701e-05 -3.28311 63.546000 Cu 0.569824 0.787013 0 164 63.546 5.80194e-05 -3.28299 63.546000 Cu 0.650874 0.790374 0.5 170 63.546 3.51462e-05 -3.28301 63.546000 Cu 0.543063 0.827428 1 188 63.546 3.35977e-05 -3.28309 63.546000 Cu 0.556452 0.807207 0.5 189 63.546 3.94379e-05 -3.28304 63.546000 Cu 0.637448 0.810558 1 191 63.546 6.00527e-05 -3.28299 63.546000 Cu 0.718551 0.813909 0.5 193 63.546 9.13432e-05 -3.28303 63.546000 Cu 0.624075 0.830754 0.5 194 63.546 5.23414e-05 -3.283 63.546000 Cu 0.731979 0.793751 0 168 63.546 1.94598e-05 -3.2831 63.546000 Cu 0.988741 0.783684 0 175 63.546 6.80431e-06 -3.28305 63.546000 Cu 0.97539 0.803874 0.5 178 63.546 2.62701e-05 -3.28311 63.546000 Cu 0.89429 0.800528 5.36851e-19 172 63.546 8.51779e-05 -3.28316 63.546000 Cu 0.90769 0.780341 0.5 173 63.546 3.87906e-05 -3.28313 63.546000 Cu 0.813136 0.797143 0.5 174 63.546 1.44142e-05 -3.28317 63.546000 Cu 0.799696 0.8173 0 195 63.546 1.07394e-05 -3.28308 63.546000 Cu 0.880883 0.820692 0.5 197 63.546 6.31317e-05 -3.28319 63.546000 Cu 0.962056 0.82407 0 199 63.546 0.000158733 -3.28321 63.546000 Cu 0.0297204 0.84765 1 200 63.546 0.000344035 -3.28327 63.546000 Cu 0.110679 0.850984 0.5 204 63.546 3.64703e-05 -3.28312 63.546000 Cu 0.191606 0.854286 0 205 63.546 0.00022211 -3.28285 63.546000 Cu 0.205094 0.834089 0.5 206 63.546 0.00014205 -3.28293 63.546000 Cu 0.00252852 0.887964 0 224 63.546 0.000743279 -3.28344 63.546000 Cu 0.0162247 0.867848 0.5 225 63.546 0.0008785 -3.28354 63.546000 Cu 0.0973583 0.871232 0 227 63.546 0.00073036 -3.28339 63.546000 Cu 0.178266 0.874535 0.5 230 63.546 0.000170294 -3.2829 63.546000 Cu 0.286217 0.837441 0 207 63.546 0.000145618 -3.28295 63.546000 Cu 0.353734 0.860964 0 208 63.546 0.000280944 -3.28288 63.546000 Cu 0.367434 0.840838 0.5 209 63.546 0.000117119 -3.28314 63.546000 Cu 0.272605 0.857592 0.5 210 63.546 0.00057962 -3.28273 63.546000 Cu 0.448624 0.844256 1 211 63.546 0.000313273 -3.28327 63.546000 Cu 0.434995 0.8644 0.5 214 63.546 0.000234524 -3.28321 63.546000 Cu 0.259048 0.877804 1 231 63.546 0.000858342 -3.28249 63.546000 Cu 0.339887 0.881101 0.5 233 63.546 0.00156874 -3.28248 63.546000 Cu 0.421051 0.884492 1 235 63.546 0.000559511 -3.2829 63.546000 Cu 0.705094 0.834089 1 192 63.546 0.00014205 -3.28293 63.546000 Cu 0.516225 0.867848 1 212 63.546 0.0008785 -3.28354 63.546000 Cu 0.52972 0.84765 0.5 213 63.546 0.000344035 -3.28327 63.546000 Cu 0.610679 0.850984 0 215 63.546 3.64703e-05 -3.28312 63.546000 Cu 0.678266 0.874535 0 216 63.546 0.000170294 -3.2829 63.546000 Cu 0.691606 0.854286 0.5 217 63.546 0.00022211 -3.28285 63.546000 Cu 0.597358 0.871232 0.5 218 63.546 0.00073036 -3.28339 63.546000 Cu 0.502529 0.887964 0.5 237 63.546 0.000743279 -3.28344 63.546000 Cu 0.867434 0.840838 0 196 63.546 0.000117119 -3.28314 63.546000 Cu 0.786217 0.837441 0.5 198 63.546 0.000145618 -3.28295 63.546000 Cu 0.948624 0.844256 0.5 202 63.546 0.000313273 -3.28327 63.546000 Cu 0.772605 0.857592 0 219 63.546 0.00057962 -3.28273 63.546000 Cu 0.839887 0.881101 0 220 63.546 0.00156874 -3.28248 63.546000 Cu 0.853734 0.860964 0.5 221 63.546 0.000280944 -3.28288 63.546000 Cu 0.759048 0.877804 0.5 222 63.546 0.000858342 -3.28249 63.546000 Cu 0.934995 0.8644 0 223 63.546 0.000234524 -3.28321 63.546000 Cu 0.921051 0.884492 0.5 226 63.546 0.000559511 -3.2829 63.546000 Cu 0.165065 0.894845 0 228 63.546 0.0020742 -3.28324 63.546000 Cu 0.0840173 0.891431 0.5 229 63.546 0.00260785 -3.28368 63.546000 Cu 0.0702898 0.911521 0 251 63.546 0.00317454 -3.2829 63.546000 Cu 0.13746 0.935281 5.36851e-19 252 63.546 0.00975277 -3.28276 63.546000 Cu 0.151676 0.915146 0.5 253 63.546 0.008122 -3.28375 63.546000 Cu 0.0557304 0.931453 0.5 254 63.546 0.00405186 -3.28044 63.546000 Cu 0.219418 0.939 0.5 258 63.546 0.0293134 -3.28407 63.546000 Cu 0.245624 0.898128 0.5 234 63.546 0.000552376 -3.28242 63.546000 Cu 0.232451 0.918585 0 255 63.546 0.00575734 -3.28311 63.546000 Cu 0.326109 0.90132 0 232 63.546 0.00332298 -3.28208 63.546000 Cu 0.407028 0.904567 0.5 238 63.546 0.00399481 -3.28207 63.546000 Cu 0.300643 0.942275 0 256 63.546 0.0148645 -3.28194 63.546000 Cu 0.312805 0.92169 0.5 257 63.546 0.00342788 -3.28188 63.546000 Cu 0.39338 0.924693 0 259 63.546 0.0112242 -3.28116 63.546000 Cu 0.488543 0.907946 0 236 63.546 0.00127671 -3.28212 63.546000 Cu 0.474418 0.92787 0.5 261 63.546 0.0138841 -3.2805 63.546000 Cu 0.584017 0.891431 0 239 63.546 0.00260785 -3.28368 63.546000 Cu 0.651676 0.915146 0 240 63.546 0.008122 -3.28375 63.546000 Cu 0.665065 0.894845 0.5 241 63.546 0.0020742 -3.28324 63.546000 Cu 0.57029 0.911521 0.5 242 63.546 0.00317454 -3.2829 63.546000 Cu 0.55573 0.931453 1.193e-19 263 63.546 0.00405186 -3.28044 63.546000 Cu 0.63746 0.935281 0.5 265 63.546 0.00975277 -3.28276 63.546000 Cu 0.719418 0.939 0 267 63.546 0.0293134 -3.28407 63.546000 Cu 0.745624 0.898128 0 243 63.546 0.000552376 -3.28242 63.546000 Cu 0.732451 0.918585 0.5 246 63.546 0.00575734 -3.28311 63.546000 Cu 0.974418 0.92787 0 248 63.546 0.0138841 -3.2805 63.546000 Cu 0.988543 0.907946 0.5 249 63.546 0.00127671 -3.28212 63.546000 Cu 0.812805 0.92169 7.15801e-19 244 63.546 0.00342788 -3.28188 63.546000 Cu 0.826109 0.90132 0.5 245 63.546 0.00332298 -3.28208 63.546000 Cu 0.907028 0.904567 0 247 63.546 0.00399481 -3.28207 63.546000 Cu 0.89338 0.924693 0.5 250 63.546 0.0112242 -3.28116 63.546000 Cu 0.800643 0.942275 0.5 269 63.546 0.0148645 -3.28194 63.546000 Cu 0.179713 0.996908 0 302 63.546 3.89043 -3.16759 63.546000 Cu 0.0400441 0.951397 0 275 63.546 0.035862 -3.27803 63.546000 Cu 0.105996 0.974633 6.64502e-17 276 63.546 0.105454 -3.26853 63.546000 Cu 0.12181 0.955149 0.5 277 63.546 0.0187832 -3.27968 63.546000 Cu 0.0231738 0.97173 0.5 278 63.546 0.178644 -3.26863 63.546000 Cu 0.205898 0.958981 4.60499e-17 279 63.546 0.0398848 -3.28026 63.546000 Cu 0.191523 0.978281 0.5 282 63.546 0.0293915 -3.28196 63.546000 Cu 0.00902807 0.992585 0 295 63.546 0.374411 -3.27304 63.546000 Cu 0.09161 0.993583 0.5 296 63.546 0.487575 -3.24491 63.546000 Cu 0.460212 0.948059 1.21507e-16 260 63.546 0.0505595 -3.28024 63.546000 Cu 0.380787 0.945067 0.5 262 63.546 0.0244687 -3.28127 63.546000 Cu 0.278585 0.982368 0 280 63.546 0.74088 -3.2018 63.546000 Cu 0.289657 0.962917 0.5 281 63.546 0.131686 -3.27896 63.546000 Cu 0.369808 0.966077 0 283 63.546 0.110856 -3.27472 63.546000 Cu 0.430744 0.991433 0 284 63.546 0.37694 -3.21172 63.546000 Cu 0.445775 0.969109 0.5 285 63.546 0.0728044 -3.2593 63.546000 Cu 0.35859 0.988125 0.5 286 63.546 0.793724 -3.16516 63.546000 Cu 0.679713 0.996908 0.5 327 63.546 3.89043 -3.16759 63.546000 Cu 0.62181 0.955149 0 264 63.546 0.0187832 -3.27968 63.546000 Cu 0.540044 0.951397 0.5 266 63.546 0.035862 -3.27803 63.546000 Cu 0.705898 0.958981 0.5 270 63.546 0.0398848 -3.28026 63.546000 Cu 0.523174 0.97173 0 287 63.546 0.178644 -3.26863 63.546000 Cu 0.59161 0.993583 0 288 63.546 0.487575 -3.24491 63.546000 Cu 0.605996 0.974633 0.5 289 63.546 0.105454 -3.26853 63.546000 Cu 0.509028 0.992585 0.5 290 63.546 0.374411 -3.27304 63.546000 Cu 0.691523 0.978281 0 291 63.546 0.0293915 -3.28196 63.546000 Cu 0.789657 0.962917 0 268 63.546 0.131686 -3.27896 63.546000 Cu 0.880787 0.945067 2.21302e-17 271 63.546 0.0244687 -3.28127 63.546000 Cu 0.945775 0.969109 1.7895e-19 272 63.546 0.0728044 -3.2593 63.546000 Cu 0.960212 0.948059 0.5 273 63.546 0.0505595 -3.28024 63.546000 Cu 0.869808 0.966077 0.5 274 63.546 0.110856 -3.27472 63.546000 Cu 0.778585 0.982368 0.5 292 63.546 0.74088 -3.2018 63.546000 Cu 0.85859 0.988125 1.7895e-19 293 63.546 0.793724 -3.16516 63.546000 Cu 0.930744 0.991433 0.5 294 63.546 0.37694 -3.21172