Number of particles = 540 A = 1 Angstrom (basic length-scale) H0(1,1) = 21.0288 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 84.4288 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61236 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 0.0346318 0.0209234 5.77344e-16 285 63.546 0.310595 -3.43844 63.546000 Cu 0.102821 0.00768988 0.5 289 63.546 2.21694 -3.23328 63.546000 Cu 0.0764967 0.0391104 0.5 301 63.546 0.156565 -3.45201 63.546000 Cu 0.14866 0.0296555 4.88503e-16 303 63.546 0.442041 -3.43147 63.546000 Cu 0.178148 0.00246544 7.33055e-16 288 63.546 8.78403 -3.40626 63.546000 Cu 0.269463 0.0352041 9.78086e-16 304 63.546 0.182024 -3.4324 63.546000 Cu 0.224594 0.0182759 0.5 305 63.546 0.549735 -3.44197 63.546000 Cu 0.304249 0.00382874 6.11559e-16 307 63.546 3.7049 -3.36663 63.546000 Cu 0.414198 0.0162378 3.66167e-16 308 63.546 3.56059 -3.35976 63.546000 Cu 0.340628 0.0228425 0.5 309 63.546 1.14366 -3.32274 63.546000 Cu 0.487114 0.0040118 0.5 310 63.546 2.29416 -3.36368 63.546000 Cu 0.458388 0.0332482 0.5 332 63.546 0.184215 -3.4767 63.546000 Cu 0.534632 0.0209234 4.42042e-16 334 63.546 0.310595 -3.43844 63.546000 Cu 0.64866 0.0296555 2.15618e-16 335 63.546 0.442041 -3.43147 63.546000 Cu 0.602821 0.00768988 0.5 336 63.546 2.21694 -3.23328 63.546000 Cu 0.576497 0.0391104 0.5 337 63.546 0.156565 -3.45201 63.546000 Cu 0.678148 0.00246544 1.22816e-16 275 63.546 8.78403 -3.40626 63.546000 Cu 0.804249 0.00382874 0 276 63.546 3.7049 -3.36663 63.546000 Cu 0.724594 0.0182759 0.5 277 63.546 0.549735 -3.44197 63.546000 Cu 0.769463 0.0352041 0 280 63.546 0.182024 -3.4324 63.546000 Cu 0.840628 0.0228425 0.5 282 63.546 1.14366 -3.32274 63.546000 Cu 0.914198 0.0162378 3.36994e-16 284 63.546 3.56059 -3.35976 63.546000 Cu 0.987114 0.0040118 0.5 286 63.546 2.29416 -3.36368 63.546000 Cu 0.958388 0.0332482 0.5 287 63.546 0.184215 -3.4767 63.546000 Cu 0.00307919 0.0507978 2.44191e-16 299 63.546 0.0248134 -3.46074 63.546000 Cu 0.119504 0.0585298 2.43831e-16 300 63.546 0.0445697 -3.46903 63.546000 Cu 0.0462599 0.06908 0.5 302 63.546 0.0155786 -3.46914 63.546000 Cu 0.163817 0.0766626 0.5 324 63.546 0.00480668 -3.4744 63.546000 Cu 0.193911 0.0473214 0.5 306 63.546 0.0381686 -3.47676 63.546000 Cu 0.238136 0.0651561 7.33295e-16 326 63.546 0.025299 -3.46523 63.546000 Cu 0.311456 0.0537319 0.5 328 63.546 0.100179 -3.45655 63.546000 Cu 0.354372 0.0731453 5.66779e-16 327 63.546 0.0247467 -3.47042 63.546000 Cu 0.383682 0.0441329 8.56111e-16 330 63.546 0.230078 -3.44964 63.546000 Cu 0.428412 0.0622823 0.5 333 63.546 0.0289527 -3.47762 63.546000 Cu 0.472503 0.0803524 7.11085e-16 359 63.546 0.00232374 -3.47038 63.546000 Cu 0.503079 0.0507978 3.83455e-16 331 63.546 0.0248134 -3.46074 63.546000 Cu 0.54626 0.06908 0.5 361 63.546 0.0155786 -3.46914 63.546000 Cu 0.619504 0.0585298 6.03636e-16 363 63.546 0.0445697 -3.46903 63.546000 Cu 0.663817 0.0766626 0.5 364 63.546 0.00480668 -3.4744 63.546000 Cu 0.738136 0.0651561 4.24154e-16 278 63.546 0.025299 -3.46523 63.546000 Cu 0.693911 0.0473214 0.5 279 63.546 0.0381686 -3.47676 63.546000 Cu 0.811456 0.0537319 0.5 283 63.546 0.100179 -3.45655 63.546000 Cu 0.883682 0.0441329 2.11176e-16 281 63.546 0.230078 -3.44964 63.546000 Cu 0.854372 0.0731453 2.6352e-16 295 63.546 0.0247467 -3.47042 63.546000 Cu 0.972503 0.0803524 6.00274e-18 296 63.546 0.00232374 -3.47038 63.546000 Cu 0.928412 0.0622823 0.5 297 63.546 0.0289527 -3.47762 63.546000 Cu 0.0598183 0.117198 3.66047e-16 319 63.546 0.000451681 -3.47265 63.546000 Cu 0.0161277 0.0987033 0.5 320 63.546 0.00153367 -3.47179 63.546000 Cu 0.0896999 0.0877861 4.88383e-16 322 63.546 0.00465434 -3.47261 63.546000 Cu 0.133707 0.106105 0.5 325 63.546 0.000626111 -3.47309 63.546000 Cu 0.207635 0.094855 7.32814e-16 323 63.546 0.0041774 -3.47 63.546000 Cu 0.281229 0.0836736 0.5 329 63.546 0.0134401 -3.46913 63.546000 Cu 0.251139 0.113339 0.5 353 63.546 0.00204136 -3.47143 63.546000 Cu 0.324631 0.102477 3.66167e-16 355 63.546 0.00284227 -3.47254 63.546000 Cu 0.177499 0.124444 6.10599e-16 351 63.546 0.00069905 -3.47169 63.546000 Cu 0.442335 0.109836 2.21861e-16 356 63.546 0.000232435 -3.47206 63.546000 Cu 0.398466 0.091552 0.5 357 63.546 0.00531014 -3.47458 63.546000 Cu 0.368492 0.120935 0.5 358 63.546 0.00105767 -3.47342 63.546000 Cu 0.5897 0.0877861 6.82752e-16 360 63.546 0.00465434 -3.47261 63.546000 Cu 0.516128 0.0987033 0.5 362 63.546 0.00153367 -3.47179 63.546000 Cu 0.559818 0.117198 3.66407e-16 389 63.546 0.000451681 -3.47265 63.546000 Cu 0.633707 0.106105 0.5 390 63.546 0.000626111 -3.47309 63.546000 Cu 0.707635 0.094855 3.66167e-17 291 63.546 0.0041774 -3.47 63.546000 Cu 0.824631 0.102477 1 292 63.546 0.00284227 -3.47254 63.546000 Cu 0.781229 0.0836736 0.5 293 63.546 0.0134401 -3.46913 63.546000 Cu 0.751139 0.113339 0.5 294 63.546 0.00204136 -3.47143 63.546000 Cu 0.677499 0.124444 2.94855e-16 290 63.546 0.00069905 -3.47169 63.546000 Cu 0.898466 0.091552 0.5 298 63.546 0.00531014 -3.47458 63.546000 Cu 0.868492 0.120935 0.5 316 63.546 0.00105767 -3.47342 63.546000 Cu 0.942335 0.109836 1.86085e-17 318 63.546 0.000232435 -3.47206 63.546000 Cu 0.0299839 0.146664 0 347 63.546 3.53355e-05 -3.4725 63.546000 Cu 0.147571 0.15399 4.23913e-16 348 63.546 0.000132801 -3.47207 63.546000 Cu 0.103731 0.135579 0.5 349 63.546 8.33326e-05 -3.47267 63.546000 Cu 0.0739138 0.165087 0.5 350 63.546 3.13342e-05 -3.47236 63.546000 Cu 0.294803 0.131916 2.42151e-16 352 63.546 0.000320908 -3.47266 63.546000 Cu 0.221209 0.142905 0.5 354 63.546 0.000366139 -3.47203 63.546000 Cu 0.265045 0.161405 3.48519e-16 381 63.546 6.9409e-05 -3.47246 63.546000 Cu 0.338664 0.150383 0.5 383 63.546 0.000254489 -3.47273 63.546000 Cu 0.41241 0.139312 3.59804e-16 385 63.546 5.86794e-05 -3.47237 63.546000 Cu 0.486132 0.128227 0.5 387 63.546 0.000120031 -3.47225 63.546000 Cu 0.456297 0.157731 0.5 388 63.546 2.83235e-05 -3.47236 63.546000 Cu 0.529984 0.146664 2.44191e-16 386 63.546 3.53355e-05 -3.4725 63.546000 Cu 0.603731 0.135579 0.5 391 63.546 8.33326e-05 -3.47267 63.546000 Cu 0.573914 0.165087 0.5 416 63.546 3.13342e-05 -3.47236 63.546000 Cu 0.647571 0.15399 3.66767e-16 418 63.546 0.000132801 -3.47207 63.546000 Cu 0.765045 0.161405 2.92694e-16 311 63.546 6.9409e-05 -3.47246 63.546000 Cu 0.721209 0.142905 0.5 312 63.546 0.000366139 -3.47203 63.546000 Cu 0.794803 0.131916 3.75411e-16 314 63.546 0.000320908 -3.47266 63.546000 Cu 0.91241 0.139312 2.25943e-16 315 63.546 5.86794e-05 -3.47237 63.546000 Cu 0.838664 0.150383 0.5 317 63.546 0.000254489 -3.47273 63.546000 Cu 0.986132 0.128227 0.5 321 63.546 0.000120031 -3.47225 63.546000 Cu 0.956297 0.157731 0.5 345 63.546 2.83235e-05 -3.47236 63.546000 Cu 0.00027502 0.176162 5.262e-16 344 63.546 1.32941e-05 -3.47239 63.546000 Cu 0.0442996 0.194595 0.5 375 63.546 2.29541e-05 -3.47256 63.546000 Cu 0.117907 0.183519 3.2859e-16 377 63.546 2.79431e-05 -3.47236 63.546000 Cu 0.161912 0.201962 0.5 380 63.546 2.70232e-05 -3.4724 63.546000 Cu 0.235453 0.190912 2.96655e-16 378 63.546 2.0126e-05 -3.47246 63.546000 Cu 0.191497 0.172445 0.5 379 63.546 6.71862e-05 -3.47224 63.546000 Cu 0.309027 0.17987 0.5 384 63.546 7.63253e-05 -3.4726 63.546000 Cu 0.382652 0.168806 3.66527e-16 382 63.546 2.86493e-05 -3.47249 63.546000 Cu 0.353061 0.198295 3.2871e-16 410 63.546 1.61975e-05 -3.4726 63.546000 Cu 0.470718 0.205658 1.9761e-16 411 63.546 1.37799e-05 -3.47265 63.546000 Cu 0.426651 0.187229 0.5 412 63.546 1.76932e-05 -3.47249 63.546000 Cu 0.500275 0.176162 6.81911e-17 414 63.546 1.32941e-05 -3.47239 63.546000 Cu 0.617907 0.183519 1.21736e-16 415 63.546 2.79431e-05 -3.47236 63.546000 Cu 0.5443 0.194595 0.5 417 63.546 2.29541e-05 -3.47256 63.546000 Cu 0.661912 0.201962 0.5 445 63.546 2.70232e-05 -3.4724 63.546000 Cu 0.691497 0.172445 0.5 313 63.546 6.71862e-05 -3.47224 63.546000 Cu 0.735453 0.190912 3.66287e-16 339 63.546 2.0126e-05 -3.47246 63.546000 Cu 0.809027 0.17987 0.5 341 63.546 7.63253e-05 -3.4726 63.546000 Cu 0.853061 0.198295 4.88743e-16 340 63.546 1.61975e-05 -3.4726 63.546000 Cu 0.882652 0.168806 4.88863e-16 343 63.546 2.86493e-05 -3.47249 63.546000 Cu 0.926651 0.187229 0.5 346 63.546 1.76932e-05 -3.47249 63.546000 Cu 0.970718 0.205658 3.66407e-16 373 63.546 1.37799e-05 -3.47265 63.546000 Cu 0.0883754 0.21302 9.67642e-17 374 63.546 2.85104e-05 -3.47258 63.546000 Cu 0.0148342 0.224072 0.5 376 63.546 3.03013e-05 -3.47265 63.546000 Cu 0.0589463 0.242517 8.64395e-17 402 63.546 2.24588e-05 -3.47248 63.546000 Cu 0.132471 0.231469 0.5 404 63.546 9.38013e-06 -3.47238 63.546000 Cu 0.205973 0.220424 3.05179e-16 406 63.546 2.0795e-05 -3.47241 63.546000 Cu 0.323596 0.227789 1.21616e-16 407 63.546 7.11867e-06 -3.47251 63.546000 Cu 0.279496 0.209364 0.5 408 63.546 4.005e-05 -3.47248 63.546000 Cu 0.250052 0.238864 0.5 409 63.546 2.56642e-05 -3.47244 63.546000 Cu 0.176513 0.249937 2.81528e-16 403 63.546 6.27372e-05 -3.47244 63.546000 Cu 0.397163 0.216716 0.5 413 63.546 4.09293e-06 -3.47256 63.546000 Cu 0.367714 0.246205 0.5 438 63.546 9.80627e-06 -3.4725 63.546000 Cu 0.441274 0.235136 1.83924e-16 440 63.546 9.45179e-06 -3.47265 63.546000 Cu 0.558946 0.242517 1.79122e-16 441 63.546 2.24588e-05 -3.47248 63.546000 Cu 0.514834 0.224072 0.5 442 63.546 3.03013e-05 -3.47265 63.546000 Cu 0.588375 0.21302 1.21135e-16 444 63.546 2.85104e-05 -3.47258 63.546000 Cu 0.632471 0.231469 0.5 446 63.546 9.38013e-06 -3.47238 63.546000 Cu 0.705973 0.220424 8.91287e-16 338 63.546 2.0795e-05 -3.47241 63.546000 Cu 0.779496 0.209364 0.5 342 63.546 4.005e-05 -3.47248 63.546000 Cu 0.750052 0.238864 0.5 367 63.546 2.56642e-05 -3.47244 63.546000 Cu 0.823596 0.227789 1.01734e-15 369 63.546 7.11867e-06 -3.47251 63.546000 Cu 0.676513 0.249937 6.83952e-16 365 63.546 6.27372e-05 -3.47244 63.546000 Cu 0.941274 0.235136 1.08169e-15 370 63.546 9.45179e-06 -3.47265 63.546000 Cu 0.897163 0.216716 0.5 371 63.546 4.09293e-06 -3.47256 63.546000 Cu 0.867714 0.246205 0.5 372 63.546 9.80627e-06 -3.4725 63.546000 Cu 0.0294802 0.272008 5.07232e-16 399 63.546 3.27942e-05 -3.47256 63.546000 Cu 0.10301 0.260974 0.5 405 63.546 8.98427e-06 -3.4725 63.546000 Cu 0.0735401 0.290481 0.5 430 63.546 3.08351e-05 -3.47257 63.546000 Cu 0.147027 0.279447 1.21616e-16 432 63.546 0.000108864 -3.47238 63.546000 Cu 0.264678 0.286802 2.44191e-16 433 63.546 4.27874e-05 -3.4725 63.546000 Cu 0.220586 0.268373 0.5 434 63.546 4.15495e-05 -3.47245 63.546000 Cu 0.29413 0.257296 1.83804e-16 436 63.546 2.58525e-05 -3.47248 63.546000 Cu 0.41182 0.26462 2.38309e-16 437 63.546 3.49433e-05 -3.47252 63.546000 Cu 0.33823 0.275701 0.5 439 63.546 2.05377e-05 -3.47256 63.546000 Cu 0.485401 0.253556 0.5 443 63.546 6.17184e-05 -3.47257 63.546000 Cu 0.455945 0.283044 0.5 468 63.546 9.49256e-05 -3.47268 63.546000 Cu 0.52948 0.272008 2.14778e-16 470 63.546 3.27942e-05 -3.47256 63.546000 Cu 0.647027 0.279447 6.05196e-16 471 63.546 0.000108864 -3.47238 63.546000 Cu 0.60301 0.260974 0.5 472 63.546 8.98427e-06 -3.4725 63.546000 Cu 0.57354 0.290481 0.5 473 63.546 3.08351e-05 -3.47257 63.546000 Cu 0.79413 0.257296 1.10282e-15 366 63.546 2.58525e-05 -3.47248 63.546000 Cu 0.720586 0.268373 0.5 368 63.546 4.15495e-05 -3.47245 63.546000 Cu 0.764678 0.286802 8.93328e-16 394 63.546 4.27874e-05 -3.4725 63.546000 Cu 0.83823 0.275701 0.5 396 63.546 2.05377e-05 -3.47256 63.546000 Cu 0.91182 0.26462 1.27642e-15 398 63.546 3.49433e-05 -3.47252 63.546000 Cu 0.985401 0.253556 0.5 400 63.546 6.17184e-05 -3.47257 63.546000 Cu 0.955945 0.283044 0.5 401 63.546 9.49256e-05 -3.47268 63.546000 Cu 7.60505e-05 0.30149 4.88143e-16 428 63.546 0.000130685 -3.47257 63.546000 Cu 0.117669 0.308952 6.11439e-16 429 63.546 0.000129117 -3.47241 63.546000 Cu 0.044239 0.319994 0.5 431 63.546 9.98997e-05 -3.47236 63.546000 Cu 0.161888 0.327406 0.5 460 63.546 0.000166365 -3.47259 63.546000 Cu 0.191145 0.297892 0.5 435 63.546 0.000130705 -3.47256 63.546000 Cu 0.235377 0.316303 2.44191e-16 462 63.546 5.84946e-05 -3.47238 63.546000 Cu 0.308853 0.305207 0.5 464 63.546 4.09243e-05 -3.47251 63.546000 Cu 0.353134 0.323609 7.33415e-16 463 63.546 0.000106092 -3.47246 63.546000 Cu 0.382393 0.294109 3.92579e-16 466 63.546 7.01425e-05 -3.47253 63.546000 Cu 0.426602 0.31253 0.5 469 63.546 0.000220537 -3.4727 63.546000 Cu 0.470881 0.330987 8.34141e-16 495 63.546 0.000252939 -3.47258 63.546000 Cu 0.500076 0.30149 5.50331e-16 467 63.546 0.000130685 -3.47257 63.546000 Cu 0.544239 0.319994 0.5 497 63.546 9.98997e-05 -3.47236 63.546000 Cu 0.617669 0.308952 6.42293e-16 499 63.546 0.000129117 -3.47241 63.546000 Cu 0.661888 0.327406 0.5 500 63.546 0.000166365 -3.47259 63.546000 Cu 0.735377 0.316303 6.28847e-16 392 63.546 5.84946e-05 -3.47238 63.546000 Cu 0.691145 0.297892 0.5 393 63.546 0.000130705 -3.47256 63.546000 Cu 0.808853 0.305207 0.5 397 63.546 4.09243e-05 -3.47251 63.546000 Cu 0.882393 0.294109 7.65349e-16 395 63.546 7.01425e-05 -3.47253 63.546000 Cu 0.853134 0.323609 3.54642e-16 424 63.546 0.000106092 -3.47246 63.546000 Cu 0.970881 0.330987 2.57518e-16 425 63.546 0.000252939 -3.47258 63.546000 Cu 0.926602 0.31253 0.5 426 63.546 0.000220537 -3.4727 63.546000 Cu 0.0595856 0.368021 1 455 63.546 0.000692548 -3.4718 63.546000 Cu 0.0151721 0.349523 0.5 456 63.546 0.000327047 -3.47214 63.546000 Cu 0.0885017 0.338475 3.66887e-16 458 63.546 0.000243583 -3.47235 63.546000 Cu 0.132923 0.356908 0.5 461 63.546 5.99027e-05 -3.47276 63.546000 Cu 0.206301 0.345827 3.67128e-16 459 63.546 8.09145e-05 -3.47242 63.546000 Cu 0.279687 0.334742 0.5 465 63.546 0.000128797 -3.47221 63.546000 Cu 0.250754 0.364288 0.5 489 63.546 0.000574239 -3.47212 63.546000 Cu 0.324087 0.353129 4.88743e-16 491 63.546 0.00013511 -3.47242 63.546000 Cu 0.442005 0.360479 7.33175e-16 492 63.546 0.000771285 -3.47262 63.546000 Cu 0.397495 0.342021 0.5 493 63.546 0.000537738 -3.47286 63.546000 Cu 0.368692 0.371488 0.5 494 63.546 0.00168016 -3.47339 63.546000 Cu 0.588502 0.338475 8.69077e-16 496 63.546 0.000243583 -3.47235 63.546000 Cu 0.515172 0.349523 0.5 498 63.546 0.000327047 -3.47214 63.546000 Cu 0.559586 0.368021 8.5539e-16 523 63.546 0.000692548 -3.4718 63.546000 Cu 0.632923 0.356908 0.5 524 63.546 5.99027e-05 -3.47276 63.546000 Cu 0.706301 0.345827 6.10118e-16 420 63.546 8.09145e-05 -3.47242 63.546000 Cu 0.824087 0.353129 4.88143e-16 421 63.546 0.00013511 -3.47242 63.546000 Cu 0.779687 0.334742 0.5 422 63.546 0.000128797 -3.47221 63.546000 Cu 0.750754 0.364288 0.5 423 63.546 0.000574239 -3.47212 63.546000 Cu 0.897495 0.342021 0.5 427 63.546 0.000537738 -3.47286 63.546000 Cu 0.868692 0.371488 0.5 452 63.546 0.00168016 -3.47339 63.546000 Cu 0.942005 0.360479 2.44432e-16 454 63.546 0.000771285 -3.47262 63.546000 Cu 0.0306585 0.397619 1 483 63.546 0.00370873 -3.47031 63.546000 Cu 0.148798 0.404784 1 484 63.546 0.00428395 -3.47211 63.546000 Cu 0.104139 0.386402 0.5 485 63.546 0.000555707 -3.47342 63.546000 Cu 0.0752131 0.415865 0.5 486 63.546 0.00598525 -3.47521 63.546000 Cu 0.177511 0.375336 1 487 63.546 0.00025852 -3.47262 63.546000 Cu 0.295252 0.382649 0 488 63.546 0.000364537 -3.4719 63.546000 Cu 0.221914 0.393872 0.5 490 63.546 0.00365769 -3.47147 63.546000 Cu 0.266333 0.412195 1 515 63.546 0.00357115 -3.47007 63.546000 Cu 0.33999 0.4009 0.5 517 63.546 0.00738538 -3.47466 63.546000 Cu 0.413365 0.389932 1.21856e-16 519 63.546 0.00465519 -3.47229 63.546000 Cu 0.486379 0.379095 0.5 521 63.546 0.00171572 -3.47141 63.546000 Cu 0.457585 0.408797 0.5 522 63.546 0.0145711 -3.46943 63.546000 Cu 0.648798 0.404784 7.80836e-16 274 63.546 0.00428395 -3.47211 63.546000 Cu 0.530658 0.397619 4.90784e-16 520 63.546 0.00370873 -3.47031 63.546000 Cu 0.604139 0.386402 0.5 525 63.546 0.000555707 -3.47342 63.546000 Cu 0.575213 0.415865 0.5 539 63.546 0.00598525 -3.47521 63.546000 Cu 0.677511 0.375336 9.23341e-16 419 63.546 0.00025852 -3.47262 63.546000 Cu 0.766333 0.412195 3.57643e-16 447 63.546 0.00357115 -3.47007 63.546000 Cu 0.721914 0.393872 0.5 448 63.546 0.00365769 -3.47147 63.546000 Cu 0.795252 0.382649 7.32814e-16 450 63.546 0.000364537 -3.4719 63.546000 Cu 0.913365 0.389932 0 451 63.546 0.00465519 -3.47229 63.546000 Cu 0.83999 0.4009 0.5 453 63.546 0.00738538 -3.47466 63.546000 Cu 0.986379 0.379095 0.5 457 63.546 0.00171572 -3.47141 63.546000 Cu 0.957585 0.408797 0.5 481 63.546 0.0145711 -3.46943 63.546000 Cu 0.00152863 0.427333 1 480 63.546 0.024117 -3.46586 63.546000 Cu 0.0468067 0.445232 0.5 509 63.546 0.046871 -3.47812 63.546000 Cu 0.120478 0.434075 0 511 63.546 0.051987 -3.4667 63.546000 Cu 0.164563 0.453777 0.5 514 63.546 0.266298 -3.44331 63.546000 Cu 0.237176 0.441798 1 512 63.546 0.0337849 -3.45846 63.546000 Cu 0.193015 0.423599 0.5 513 63.546 0.0294085 -3.46773 63.546000 Cu 0.3113 0.430181 0.5 518 63.546 0.037651 -3.47782 63.546000 Cu 0.384931 0.419256 0 516 63.546 0.0344536 -3.46924 63.546000 Cu 0.357371 0.448216 0 533 63.546 0.29726 -3.44225 63.546000 Cu 0.472129 0.457316 8.23576e-17 534 63.546 0.194633 -3.43245 63.546000 Cu 0.428905 0.438774 0.5 535 63.546 0.114644 -3.45602 63.546000 Cu 0.664563 0.453777 0.5 6 63.546 0.266298 -3.44331 63.546000 Cu 0.501529 0.427333 2.44312e-16 537 63.546 0.024117 -3.46586 63.546000 Cu 0.620478 0.434075 7.38217e-16 538 63.546 0.051987 -3.4667 63.546000 Cu 0.546807 0.445232 0.5 540 63.546 0.046871 -3.47812 63.546000 Cu 0.693015 0.423599 0.5 449 63.546 0.0294085 -3.46773 63.546000 Cu 0.737176 0.441798 6.3437e-16 475 63.546 0.0337849 -3.45846 63.546000 Cu 0.8113 0.430181 0.5 477 63.546 0.037651 -3.47782 63.546000 Cu 0.857371 0.448216 1.71318e-16 476 63.546 0.29726 -3.44225 63.546000 Cu 0.884931 0.419256 1.21976e-16 479 63.546 0.0344536 -3.46924 63.546000 Cu 0.928905 0.438774 0.5 482 63.546 0.114644 -3.45602 63.546000 Cu 0.972129 0.457316 1 507 63.546 0.194633 -3.43245 63.546000 Cu 0.0933824 0.462912 1.69277e-16 508 63.546 0.603877 -3.41242 63.546000 Cu 0.0182261 0.474352 0.5 510 63.546 0.775228 -3.42379 63.546000 Cu 0.0669789 0.489879 6.3461e-16 526 63.546 9.36307 -3.43347 63.546000 Cu 0.142735 0.485767 0.5 528 63.546 3.15284 -3.17969 63.546000 Cu 0.207848 0.471861 2.32786e-16 529 63.546 0.509339 -3.4457 63.546000 Cu 0.328731 0.47589 5.24639e-17 530 63.546 8.66654 -3.3854 63.546000 Cu 0.283011 0.459231 0.5 531 63.546 0.244055 -3.47112 63.546000 Cu 0.259524 0.48876 0.5 532 63.546 2.89671 -3.36696 63.546000 Cu 0.441009 0.489061 2.16819e-16 263 63.546 4.76343 -3.33182 63.546000 Cu 0.402585 0.469783 0.5 536 63.546 1.47615 -3.28543 63.546000 Cu 0.642735 0.485767 0.5 1 63.546 3.15284 -3.17969 63.546000 Cu 0.593382 0.462912 3.81174e-16 17 63.546 0.603877 -3.41242 63.546000 Cu 0.518226 0.474352 0.5 37 63.546 0.775228 -3.42379 63.546000 Cu 0.566979 0.489879 4.93785e-16 250 63.546 9.36307 -3.43347 63.546000 Cu 0.707848 0.471861 6.15881e-16 474 63.546 0.509339 -3.4457 63.546000 Cu 0.783011 0.459231 0.5 478 63.546 0.244055 -3.47112 63.546000 Cu 0.759524 0.48876 0.5 502 63.546 2.89671 -3.36696 63.546000 Cu 0.828731 0.47589 2.43951e-16 503 63.546 8.66654 -3.3854 63.546000 Cu 0.941009 0.489061 0 504 63.546 4.76343 -3.33182 63.546000 Cu 0.902585 0.469783 0.5 505 63.546 1.47615 -3.28543 63.546000 Cu 0.0114448 0.503935 0.5 5 63.546 2.41779 -3.36301 63.546000 Cu 0.0841666 0.516257 3.97381e-16 7 63.546 3.88358 -3.36305 63.546000 Cu 0.158013 0.522759 0.5 9 63.546 1.19666 -3.31482 63.546000 Cu 0.0400566 0.533226 0.5 10 63.546 0.189389 -3.47614 63.546000 Cu 0.273828 0.518158 0.5 2 63.546 0.560095 -3.43944 63.546000 Cu 0.229068 0.535058 0 11 63.546 0.198542 -3.43037 63.546000 Cu 0.320356 0.50241 2.44432e-16 35 63.546 8.815 -3.40631 63.546000 Cu 0.193884 0.503573 2.44312e-16 527 63.546 4.0766 -3.35547 63.546000 Cu 0.395724 0.507682 0.5 273 63.546 2.22523 -3.22814 63.546000 Cu 0.349904 0.529594 1 36 63.546 0.44625 -3.43207 63.546000 Cu 0.463901 0.520888 4.1563e-16 38 63.546 0.315713 -3.43934 63.546000 Cu 0.422101 0.539102 0.5 41 63.546 0.146374 -3.45264 63.546000 Cu 0.584167 0.516257 6.30168e-16 15 63.546 3.88358 -3.36305 63.546000 Cu 0.511445 0.503935 0.5 16 63.546 2.41779 -3.36301 63.546000 Cu 0.658013 0.522759 0.5 20 63.546 1.19666 -3.31482 63.546000 Cu 0.540057 0.533226 0.5 40 63.546 0.189389 -3.47614 63.546000 Cu 0.820356 0.50241 3.66527e-16 3 63.546 8.815 -3.40631 63.546000 Cu 0.729068 0.535058 6.11439e-16 18 63.546 0.198542 -3.43037 63.546000 Cu 0.773828 0.518158 0.5 19 63.546 0.560095 -3.43944 63.546000 Cu 0.693884 0.503573 3.60284e-16 501 63.546 4.0766 -3.35547 63.546000 Cu 0.895724 0.507682 0.5 506 63.546 2.22523 -3.22814 63.546000 Cu 0.963901 0.520888 3.53801e-16 4 63.546 0.315713 -3.43934 63.546000 Cu 0.849904 0.529594 3.66767e-16 21 63.546 0.44625 -3.43207 63.546000 Cu 0.922101 0.539102 0.5 23 63.546 0.146374 -3.45264 63.546000 Cu 0.114951 0.544087 0 8 63.546 0.238711 -3.44903 63.546000 Cu 0.0262823 0.580341 3.21747e-16 26 63.546 0.00178987 -3.47024 63.546000 Cu 0.0702649 0.562238 0.5 27 63.546 0.0296804 -3.47757 63.546000 Cu 0.144322 0.573073 9.4243e-17 29 63.546 0.0245818 -3.47052 63.546000 Cu 0.260541 0.56503 4.20432e-16 12 63.546 0.0280412 -3.46505 63.546000 Cu 0.304641 0.547207 0.5 13 63.546 0.0348285 -3.47641 63.546000 Cu 0.187184 0.553631 0.5 14 63.546 0.102985 -3.45683 63.546000 Cu 0.379182 0.558474 2.55357e-16 63 63.546 0.0457111 -3.46915 63.546000 Cu 0.452487 0.569072 0.5 65 63.546 0.0124879 -3.46912 63.546000 Cu 0.334853 0.576561 0.5 66 63.546 0.00421549 -3.47435 63.546000 Cu 0.495594 0.550777 2.43831e-16 39 63.546 0.0236777 -3.46032 63.546000 Cu 0.614951 0.544087 4.88983e-16 42 63.546 0.238711 -3.44903 63.546000 Cu 0.644322 0.573073 6.10959e-16 43 63.546 0.0245818 -3.47052 63.546000 Cu 0.570265 0.562238 0.5 45 63.546 0.0296804 -3.47757 63.546000 Cu 0.526282 0.580341 6.09158e-16 67 63.546 0.00178987 -3.47024 63.546000 Cu 0.804641 0.547207 0.5 24 63.546 0.0348285 -3.47641 63.546000 Cu 0.687184 0.553631 0.5 44 63.546 0.102985 -3.45683 63.546000 Cu 0.760541 0.56503 4.88983e-16 46 63.546 0.0280412 -3.46505 63.546000 Cu 0.995594 0.550777 5.32083e-16 25 63.546 0.0236777 -3.46032 63.546000 Cu 0.879182 0.558474 6.17442e-16 22 63.546 0.0457111 -3.46915 63.546000 Cu 0.952487 0.569072 0.5 28 63.546 0.0124879 -3.46912 63.546000 Cu 0.834853 0.576561 0.5 48 63.546 0.00421549 -3.47435 63.546000 Cu 0.100325 0.591518 0.5 32 63.546 0.0062421 -3.47451 63.546000 Cu 0.0564776 0.609842 4.91384e-16 54 63.546 0.000352388 -3.47197 63.546000 Cu 0.130293 0.620891 0.5 56 63.546 0.00112146 -3.47344 63.546000 Cu 0.174103 0.602392 2.44432e-16 30 63.546 0.00268409 -3.47252 63.546000 Cu 0.217463 0.583543 0.5 31 63.546 0.016755 -3.46915 63.546000 Cu 0.291065 0.594734 3.66647e-16 33 63.546 0.00531023 -3.46989 63.546000 Cu 0.247538 0.613219 0.5 34 63.546 0.00293492 -3.4712 63.546000 Cu 0.32117 0.624319 3.66647e-16 90 63.546 0.00160044 -3.47164 63.546000 Cu 0.409076 0.587724 3.91979e-16 64 63.546 0.00469174 -3.47258 63.546000 Cu 0.482711 0.598698 0.5 70 63.546 0.000810481 -3.47162 63.546000 Cu 0.365038 0.606002 0.5 91 63.546 0.000317501 -3.47295 63.546000 Cu 0.438938 0.61716 6.70986e-16 92 63.546 0.000657229 -3.4724 63.546000 Cu 0.556478 0.609842 8.5551e-16 68 63.546 0.000352388 -3.47197 63.546000 Cu 0.600325 0.591518 0.5 69 63.546 0.0062421 -3.47451 63.546000 Cu 0.630293 0.620891 0.5 74 63.546 0.00112146 -3.47344 63.546000 Cu 0.791065 0.594734 4.88383e-16 47 63.546 0.00531023 -3.46989 63.546000 Cu 0.717463 0.583543 0.5 49 63.546 0.016755 -3.46915 63.546000 Cu 0.674103 0.602392 8.55751e-16 71 63.546 0.00268409 -3.47252 63.546000 Cu 0.747538 0.613219 0.5 73 63.546 0.00293492 -3.4712 63.546000 Cu 0.82117 0.624319 5.28361e-16 75 63.546 0.00160044 -3.47164 63.546000 Cu 0.909076 0.587724 9.10616e-16 50 63.546 0.00469174 -3.47258 63.546000 Cu 0.938938 0.61716 5.19837e-16 51 63.546 0.000657229 -3.4724 63.546000 Cu 0.982711 0.598698 0.5 52 63.546 0.000810481 -3.47162 63.546000 Cu 0.865038 0.606002 0.5 53 63.546 0.000317501 -3.47295 63.546000 Cu 0.086476 0.639307 2.43831e-16 55 63.546 0.00033523 -3.47246 63.546000 Cu 0.0126691 0.628237 0.5 57 63.546 0.000152434 -3.47203 63.546000 Cu 0.16035 0.650317 0.5 61 63.546 0.000200258 -3.47277 63.546000 Cu 0.0429155 0.657724 0.5 81 63.546 0.000183869 -3.47248 63.546000 Cu 0.203985 0.631835 2.44312e-16 58 63.546 0.000399089 -3.47254 63.546000 Cu 0.23426 0.661311 3.66527e-16 59 63.546 0.000118949 -3.47257 63.546000 Cu 0.277637 0.642784 0.5 60 63.546 0.000760906 -3.47202 63.546000 Cu 0.468983 0.646632 7.33055e-16 93 63.546 0.00022271 -3.47244 63.546000 Cu 0.395027 0.635477 0.5 95 63.546 0.000330692 -3.4725 63.546000 Cu 0.351466 0.653862 3.66527e-16 117 63.546 0.000521495 -3.472 63.546000 Cu 0.425446 0.664986 0.5 119 63.546 0.000107159 -3.47229 63.546000 Cu 0.512669 0.628237 0.5 94 63.546 0.000152434 -3.47203 63.546000 Cu 0.586476 0.639307 6.94037e-16 96 63.546 0.00033523 -3.47246 63.546000 Cu 0.66035 0.650317 0.5 98 63.546 0.000200258 -3.47277 63.546000 Cu 0.542915 0.657724 0.5 99 63.546 0.000183869 -3.47248 63.546000 Cu 0.703985 0.631835 7.33655e-16 72 63.546 0.000399089 -3.47254 63.546000 Cu 0.777637 0.642784 0.5 78 63.546 0.000760906 -3.47202 63.546000 Cu 0.73426 0.661311 9.78086e-16 100 63.546 0.000118949 -3.47257 63.546000 Cu 0.851466 0.653862 7.33055e-16 76 63.546 0.000521495 -3.472 63.546000 Cu 0.895027 0.635477 0.5 77 63.546 0.000330692 -3.4725 63.546000 Cu 0.968983 0.646632 5.02309e-16 79 63.546 0.00022271 -3.47244 63.546000 Cu 0.925446 0.664986 0.5 82 63.546 0.000107159 -3.47229 63.546000 Cu 0.116863 0.668777 5.52012e-16 83 63.546 0.000238658 -3.47252 63.546000 Cu 0.146886 0.698247 5.73862e-16 84 63.546 0.000266114 -3.47252 63.546000 Cu 0.0732213 0.687207 0.5 86 63.546 0.000521532 -3.47254 63.546000 Cu 0.0292146 0.705603 2.43951e-16 108 63.546 8.76507e-05 -3.47246 63.546000 Cu 0.308056 0.67231 0.5 62 63.546 0.000429339 -3.47235 63.546000 Cu 0.190683 0.679783 0.5 85 63.546 0.000240568 -3.47272 63.546000 Cu 0.264373 0.69079 4.14189e-16 87 63.546 0.000238046 -3.47234 63.546000 Cu 0.381857 0.683387 5.85867e-16 118 63.546 0.000491677 -3.47219 63.546000 Cu 0.45557 0.6945 0.5 123 63.546 0.000205844 -3.47254 63.546000 Cu 0.337989 0.701828 0.5 144 63.546 0.000252932 -3.47228 63.546000 Cu 0.499393 0.676123 4.8202e-16 120 63.546 0.000346469 -3.47246 63.546000 Cu 0.616863 0.668777 4.88023e-16 97 63.546 0.000238658 -3.47252 63.546000 Cu 0.529215 0.705603 8.5515e-16 121 63.546 8.76507e-05 -3.47246 63.546000 Cu 0.573221 0.687207 0.5 122 63.546 0.000521532 -3.47254 63.546000 Cu 0.646886 0.698247 6.10239e-16 124 63.546 0.000266114 -3.47252 63.546000 Cu 0.764373 0.69079 4.88143e-16 101 63.546 0.000238046 -3.47234 63.546000 Cu 0.808056 0.67231 0.5 102 63.546 0.000429339 -3.47235 63.546000 Cu 0.690683 0.679783 0.5 103 63.546 0.000240568 -3.47272 63.546000 Cu 0.999393 0.676123 5.38566e-16 80 63.546 0.000346469 -3.47246 63.546000 Cu 0.881857 0.683387 5.94751e-16 104 63.546 0.000491677 -3.47219 63.546000 Cu 0.95557 0.6945 0.5 106 63.546 0.000205844 -3.47254 63.546000 Cu 0.837989 0.701828 0.5 107 63.546 0.000252932 -3.47228 63.546000 Cu 0.058724 0.735105 3.66647e-16 109 63.546 9.6959e-06 -3.47253 63.546000 Cu 0.102865 0.716697 0.5 110 63.546 0.000188724 -3.47253 63.546000 Cu 0.132318 0.746192 0.5 115 63.546 6.33056e-05 -3.47255 63.546000 Cu 0.293948 0.720303 1.22456e-16 88 63.546 3.37092e-05 -3.47226 63.546000 Cu 0.220424 0.709276 0.5 89 63.546 3.71128e-05 -3.4724 63.546000 Cu 0.176408 0.727747 2.44552e-16 112 63.546 7.79547e-05 -3.47252 63.546000 Cu 0.249956 0.738795 0.5 114 63.546 4.00213e-05 -3.4724 63.546000 Cu 0.323457 0.749835 1.71678e-17 171 63.546 7.96842e-06 -3.47253 63.546000 Cu 0.411526 0.712892 2.38909e-16 145 63.546 0.000267046 -3.47227 63.546000 Cu 0.44101 0.742435 5.63417e-16 146 63.546 6.97028e-05 -3.47228 63.546000 Cu 0.485127 0.724009 0.5 147 63.546 3.22145e-05 -3.47227 63.546000 Cu 0.367464 0.731363 0.5 148 63.546 5.93652e-05 -3.47223 63.546000 Cu 0.602865 0.716697 0.5 127 63.546 0.000188724 -3.47253 63.546000 Cu 0.558724 0.735105 4.70255e-16 149 63.546 9.6959e-06 -3.47253 63.546000 Cu 0.632318 0.746192 0.5 151 63.546 6.33056e-05 -3.47255 63.546000 Cu 0.676408 0.727747 5.66298e-16 125 63.546 7.79547e-05 -3.47252 63.546000 Cu 0.720424 0.709276 0.5 126 63.546 3.71128e-05 -3.4724 63.546000 Cu 0.793948 0.720303 4.54648e-16 128 63.546 3.37092e-05 -3.47226 63.546000 Cu 0.823457 0.749835 4.1731e-16 129 63.546 7.96842e-06 -3.47253 63.546000 Cu 0.749956 0.738795 0.5 131 63.546 4.00213e-05 -3.4724 63.546000 Cu 0.911526 0.712892 4.41201e-16 105 63.546 0.000267046 -3.47227 63.546000 Cu 0.985127 0.724009 0.5 111 63.546 3.22145e-05 -3.47227 63.546000 Cu 0.867464 0.731363 0.5 130 63.546 5.93652e-05 -3.47223 63.546000 Cu 0.94101 0.742435 5.06151e-16 132 63.546 6.97028e-05 -3.47228 63.546000 Cu 0.0145886 0.753522 0.5 134 63.546 2.99772e-05 -3.47247 63.546000 Cu 0.0881802 0.764604 4.28836e-16 136 63.546 5.35628e-06 -3.47281 63.546000 Cu 0.161748 0.775674 0.5 138 63.546 2.11837e-05 -3.47264 63.546000 Cu 0.0440607 0.783012 0.5 139 63.546 0.000103338 -3.47269 63.546000 Cu 0.205879 0.757257 4.00023e-16 113 63.546 8.70015e-05 -3.47259 63.546000 Cu 0.279422 0.768301 0.5 116 63.546 2.73562e-05 -3.47244 63.546000 Cu 0.23536 0.786762 2.55837e-16 140 63.546 9.23557e-05 -3.47259 63.546000 Cu 0.352969 0.779367 0 172 63.546 2.57806e-05 -3.47233 63.546000 Cu 0.396968 0.760889 0.5 173 63.546 3.31747e-05 -3.47231 63.546000 Cu 0.470523 0.771959 5.81185e-16 174 63.546 3.87116e-05 -3.47257 63.546000 Cu 0.426492 0.790418 0.5 177 63.546 2.01183e-05 -3.47235 63.546000 Cu 0.58818 0.764604 6.11199e-16 150 63.546 5.35628e-06 -3.47281 63.546000 Cu 0.514589 0.753522 0.5 152 63.546 2.99772e-05 -3.47247 63.546000 Cu 0.661748 0.775674 0.5 156 63.546 2.11837e-05 -3.47264 63.546000 Cu 0.544061 0.783012 0.5 176 63.546 0.000103338 -3.47269 63.546000 Cu 0.705879 0.757257 4.80579e-16 153 63.546 8.70015e-05 -3.47259 63.546000 Cu 0.73536 0.786762 1.3182e-16 154 63.546 9.23557e-05 -3.47259 63.546000 Cu 0.779422 0.768301 0.5 155 63.546 2.73562e-05 -3.47244 63.546000 Cu 0.970523 0.771959 7.18288e-16 133 63.546 3.87116e-05 -3.47257 63.546000 Cu 0.896968 0.760889 0.5 135 63.546 3.31747e-05 -3.47231 63.546000 Cu 0.852969 0.779367 3.24868e-16 157 63.546 2.57806e-05 -3.47233 63.546000 Cu 0.926492 0.790418 0.5 159 63.546 2.01183e-05 -3.47235 63.546000 Cu 0.117655 0.794096 4.52847e-16 137 63.546 3.07478e-05 -3.47257 63.546000 Cu 0.029293 0.830999 3.66407e-16 162 63.546 0.000124063 -3.47244 63.546000 Cu 0.0734929 0.812526 0.5 163 63.546 0.000125309 -3.47258 63.546000 Cu 0.147017 0.823611 4.84181e-16 165 63.546 5.42511e-05 -3.47233 63.546000 Cu 0.264749 0.816268 2.54756e-16 141 63.546 4.40861e-05 -3.47249 63.546000 Cu 0.308884 0.797817 0.5 142 63.546 3.02372e-05 -3.47258 63.546000 Cu 0.191208 0.805178 0.5 143 63.546 2.79024e-05 -3.47254 63.546000 Cu 0.38242 0.808899 6.11559e-16 199 63.546 7.7658e-05 -3.47236 63.546000 Cu 0.455875 0.819962 0.5 201 63.546 6.25469e-05 -3.47241 63.546000 Cu 0.338245 0.827346 0.5 202 63.546 6.74541e-05 -3.47262 63.546000 Cu 0.499985 0.801475 4.88503e-16 175 63.546 4.04786e-05 -3.47244 63.546000 Cu 0.617655 0.794096 7.86959e-16 178 63.546 3.07478e-05 -3.47257 63.546000 Cu 0.647017 0.823611 7.32935e-16 179 63.546 5.42511e-05 -3.47233 63.546000 Cu 0.573493 0.812526 0.5 181 63.546 0.000125309 -3.47258 63.546000 Cu 0.529293 0.830999 6.50457e-16 203 63.546 0.000124063 -3.47244 63.546000 Cu 0.808884 0.797817 0.5 160 63.546 3.02372e-05 -3.47258 63.546000 Cu 0.691208 0.805178 0.5 180 63.546 2.79024e-05 -3.47254 63.546000 Cu 0.764749 0.816268 4.46724e-16 182 63.546 4.40861e-05 -3.47249 63.546000 Cu 0.999985 0.801475 4.6113e-16 161 63.546 4.04786e-05 -3.47244 63.546000 Cu 0.88242 0.808899 3.66767e-16 158 63.546 7.7658e-05 -3.47236 63.546000 Cu 0.955875 0.819962 0.5 164 63.546 6.25469e-05 -3.47241 63.546000 Cu 0.838245 0.827346 0.5 184 63.546 6.74541e-05 -3.47262 63.546000 Cu 0.102725 0.842045 0.5 168 63.546 0.000321349 -3.47281 63.546000 Cu 0.0582982 0.860519 1.51389e-16 190 63.546 0.000624644 -3.47251 63.546000 Cu 0.13166 0.87154 0.5 192 63.546 0.00141401 -3.47346 63.546000 Cu 0.176173 0.853148 6.51057e-16 166 63.546 0.000106587 -3.47229 63.546000 Cu 0.220519 0.83472 0.5 167 63.546 0.00010755 -3.4723 63.546000 Cu 0.293913 0.845796 4.17911e-16 169 63.546 7.38442e-05 -3.47235 63.546000 Cu 0.249553 0.864294 0.5 170 63.546 0.00052517 -3.47204 63.546000 Cu 0.411687 0.838441 4.77218e-16 200 63.546 0.00013749 -3.47215 63.546000 Cu 0.485049 0.849532 0.5 206 63.546 0.000351196 -3.47204 63.546000 Cu 0.367341 0.856896 0.5 227 63.546 7.87497e-05 -3.4727 63.546000 Cu 0.440723 0.868023 8.5551e-16 228 63.546 0.000492026 -3.47172 63.546000 Cu 0.558298 0.860519 6.29687e-16 204 63.546 0.000624644 -3.47251 63.546000 Cu 0.602725 0.842045 0.5 205 63.546 0.000321349 -3.47281 63.546000 Cu 0.63166 0.87154 0.5 210 63.546 0.00141401 -3.47346 63.546000 Cu 0.793913 0.845796 4.75657e-16 183 63.546 7.38442e-05 -3.47235 63.546000 Cu 0.720519 0.83472 0.5 185 63.546 0.00010755 -3.4723 63.546000 Cu 0.676173 0.853148 7.30653e-16 207 63.546 0.000106587 -3.47229 63.546000 Cu 0.749553 0.864294 0.5 209 63.546 0.00052517 -3.47204 63.546000 Cu 0.911687 0.838441 4.65452e-16 186 63.546 0.00013749 -3.47215 63.546000 Cu 0.940723 0.868023 2.44432e-16 187 63.546 0.000492026 -3.47172 63.546000 Cu 0.985049 0.849532 0.5 188 63.546 0.000351196 -3.47204 63.546000 Cu 0.867341 0.856896 0.5 189 63.546 7.87497e-05 -3.4727 63.546000 Cu 0.0869509 0.89 1 191 63.546 0.00438551 -3.47237 63.546000 Cu 0.0139817 0.879151 0.5 193 63.546 0.00234496 -3.47139 63.546000 Cu 0.160329 0.900969 0.5 197 63.546 0.0074752 -3.47475 63.546000 Cu 0.0426599 0.908877 0.5 217 63.546 0.0164802 -3.46913 63.546000 Cu 0.322818 0.875329 7.90321e-16 226 63.546 0.000586539 -3.47241 63.546000 Cu 0.205108 0.882699 6.55979e-16 194 63.546 0.000577346 -3.47173 63.546000 Cu 0.233897 0.912279 1.24017e-16 195 63.546 0.00440838 -3.46974 63.546000 Cu 0.278412 0.893925 0.5 196 63.546 0.00421191 -3.47119 63.546000 Cu 0.469611 0.897653 6.02675e-16 229 63.546 0.0032172 -3.47031 63.546000 Cu 0.39623 0.886429 0.5 231 63.546 0.000749122 -3.47347 63.546000 Cu 0.351345 0.904821 5.87308e-16 251 63.546 0.00600262 -3.47182 63.546000 Cu 0.424884 0.91591 0.5 253 63.546 0.00716561 -3.47526 63.546000 Cu 0.513982 0.879151 0.5 230 63.546 0.00234496 -3.47139 63.546000 Cu 0.586951 0.89 4.64492e-16 232 63.546 0.00438551 -3.47237 63.546000 Cu 0.660329 0.900969 0.5 234 63.546 0.0074752 -3.47475 63.546000 Cu 0.54266 0.908877 0.5 235 63.546 0.0164802 -3.46913 63.546000 Cu 0.822818 0.875329 6.11199e-16 211 63.546 0.000586539 -3.47241 63.546000 Cu 0.705108 0.882699 7.33655e-16 208 63.546 0.000577346 -3.47173 63.546000 Cu 0.778412 0.893925 0.5 214 63.546 0.00421191 -3.47119 63.546000 Cu 0.733897 0.912279 7.43739e-16 236 63.546 0.00440838 -3.46974 63.546000 Cu 0.851345 0.904821 4.68454e-16 212 63.546 0.00600262 -3.47182 63.546000 Cu 0.89623 0.886429 0.5 213 63.546 0.000749122 -3.47347 63.546000 Cu 0.969611 0.897653 1.20055e-19 215 63.546 0.0032172 -3.47031 63.546000 Cu 0.924884 0.91591 0.5 218 63.546 0.00716561 -3.47526 63.546000 Cu 0.115204 0.91934 7.10724e-17 219 63.546 0.0351434 -3.46894 63.546000 Cu 0.1426 0.948314 8.16373e-18 220 63.546 0.312116 -3.44066 63.546000 Cu 0.0710397 0.938901 0.5 222 63.546 0.125589 -3.45488 63.546000 Cu 0.0277828 0.957397 1.23776e-16 244 63.546 0.196106 -3.43301 63.546000 Cu 0.307059 0.923719 0.5 198 63.546 0.034692 -3.46666 63.546000 Cu 0.188699 0.930285 0.5 221 63.546 0.0391597 -3.47777 63.546000 Cu 0.262916 0.941945 0 223 63.546 0.0403368 -3.45718 63.546000 Cu 0.379467 0.934143 4.21152e-16 252 63.546 0.0612163 -3.46555 63.546000 Cu 0.453033 0.945299 0.5 257 63.546 0.0543649 -3.4786 63.546000 Cu 0.335358 0.954012 0.5 267 63.546 0.317477 -3.43671 63.546000 Cu 0.498491 0.927396 3.89098e-16 254 63.546 0.0230087 -3.46555 63.546000 Cu 0.615204 0.91934 5.6954e-16 233 63.546 0.0351434 -3.46894 63.546000 Cu 0.527783 0.957397 1.21976e-16 255 63.546 0.196106 -3.43301 63.546000 Cu 0.57104 0.938901 0.5 256 63.546 0.125589 -3.45488 63.546000 Cu 0.6426 0.948314 5.23079e-16 258 63.546 0.312116 -3.44066 63.546000 Cu 0.762916 0.941945 8.56471e-16 237 63.546 0.0403368 -3.45718 63.546000 Cu 0.807059 0.923719 0.5 238 63.546 0.034692 -3.46666 63.546000 Cu 0.688699 0.930285 0.5 239 63.546 0.0391597 -3.47777 63.546000 Cu 0.998491 0.927396 2.44672e-16 216 63.546 0.0230087 -3.46555 63.546000 Cu 0.879467 0.934143 2.10816e-16 240 63.546 0.0612163 -3.46555 63.546000 Cu 0.953033 0.945299 0.5 242 63.546 0.0543649 -3.4786 63.546000 Cu 0.835358 0.954012 0.5 243 63.546 0.317477 -3.43671 63.546000 Cu 0.0581477 0.989118 3.66527e-16 245 63.546 4.75001 -3.33749 63.546000 Cu 0.0971221 0.969979 0.5 246 63.546 1.54781 -3.28234 63.546000 Cu 0.292238 0.972065 4.89704e-16 224 63.546 0.611365 -3.44366 63.546000 Cu 0.216868 0.959351 0.5 225 63.546 0.265563 -3.46979 63.546000 Cu 0.171045 0.975947 3.67248e-16 248 63.546 8.66326 -3.38848 63.546000 Cu 0.239536 0.988875 0.5 249 63.546 2.9617 -3.36688 63.546000 Cu 0.406477 0.962996 7.63549e-17 268 63.546 0.689925 -3.40506 63.546000 Cu 0.432379 0.98987 4.71215e-16 269 63.546 8.52587 -3.43907 63.546000 Cu 0.481328 0.974417 0.5 270 63.546 0.853076 -3.41885 63.546000 Cu 0.356409 0.986284 0.5 271 63.546 3.58178 -3.16926 63.546000 Cu 0.597122 0.969979 0.5 261 63.546 1.54781 -3.28234 63.546000 Cu 0.558148 0.989118 3.67128e-16 272 63.546 4.75001 -3.33749 63.546000 Cu 0.671045 0.975947 1.22216e-16 259 63.546 8.66326 -3.38848 63.546000 Cu 0.716868 0.959351 0.5 260 63.546 0.265563 -3.46979 63.546000 Cu 0.792238 0.972065 4.89223e-16 262 63.546 0.611365 -3.44366 63.546000 Cu 0.739536 0.988875 0.5 265 63.546 2.9617 -3.36688 63.546000 Cu 0.906477 0.962996 3.67008e-16 241 63.546 0.689925 -3.40506 63.546000 Cu 0.981328 0.974417 0.5 247 63.546 0.853076 -3.41885 63.546000 Cu 0.856409 0.986284 0.5 264 63.546 3.58178 -3.16926 63.546000 Cu 0.932379 0.98987 6.91756e-16 266 63.546 8.52587 -3.43907