Number of particles = 408 A = 1 Angstrom (basic length-scale) H0(1,1) = 14.8974 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 89.9723 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61372 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 0.126346 0.014677 0.5 209 63.546 7.9027 -3.2441 63.546000 Cu 0.27338 0.00170266 0.5 210 63.546 9.13291 -3.29506 63.546000 Cu 0.151925 0.0318481 1.2301e-17 215 63.546 2.95895 -3.46096 63.546000 Cu 0.272044 0.0277407 0.5 217 63.546 9.06943 -3.29173 63.546000 Cu 0.00371437 0.0146454 4.91138e-17 206 63.546 3.59891 -3.52289 63.546000 Cu 0.0257324 0.0355214 0.5 213 63.546 0.665812 -3.47683 63.546000 Cu 0.37916 0.0147862 3.00023e-20 219 63.546 8.39666 -3.49804 63.546000 Cu 0.525732 0.0355214 1.76174e-16 220 63.546 0.665812 -3.47683 63.546000 Cu 0.503714 0.0146454 0.5 221 63.546 3.59891 -3.52289 63.546000 Cu 0.417006 0.0394461 0.5 222 63.546 0.546913 -3.44327 63.546000 Cu 0.626346 0.014677 3.7995e-16 223 63.546 7.9027 -3.2441 63.546000 Cu 0.651925 0.0318481 0.5 226 63.546 2.95895 -3.46096 63.546000 Cu 0.77338 0.00170266 1.62343e-16 205 63.546 9.13291 -3.29506 63.546000 Cu 0.87916 0.0147862 0.5 207 63.546 8.39666 -3.49804 63.546000 Cu 0.917006 0.0394461 4.91138e-17 211 63.546 0.546913 -3.44327 63.546000 Cu 0.772044 0.0277407 4.91138e-17 224 63.546 9.06943 -3.29173 63.546000 Cu 0.301641 0.0455072 1.40801e-16 216 63.546 0.505349 -3.47081 63.546000 Cu 0.0595766 0.0552921 3.94231e-17 212 63.546 0.0479383 -3.53294 63.546000 Cu 0.177086 0.050719 0.5 218 63.546 0.0848602 -3.53073 63.546000 Cu 0.0900104 0.0748667 0.5 231 63.546 0.00726124 -3.53505 63.546000 Cu 0.208554 0.0696888 3.95731e-17 233 63.546 0.0137704 -3.54569 63.546000 Cu 0.327056 0.0646429 0.5 235 63.546 0.0309198 -3.54469 63.546000 Cu 0.237554 0.0891684 0.5 236 63.546 0.00336111 -3.54222 63.546000 Cu 0.354865 0.0843438 1.49922e-16 234 63.546 0.00138385 -3.54034 63.546000 Cu 0.444284 0.0600969 1.73234e-16 237 63.546 0.0390286 -3.51837 63.546000 Cu 0.59001 0.0748667 1.2853e-16 238 63.546 0.00726124 -3.53505 63.546000 Cu 0.559577 0.0552921 0.5 239 63.546 0.0479383 -3.53294 63.546000 Cu 0.472368 0.0796745 0.5 240 63.546 0.00461421 -3.53665 63.546000 Cu 0.801641 0.0455072 0.5 243 63.546 0.505349 -3.47081 63.546000 Cu 0.677086 0.050719 8.43366e-17 241 63.546 0.0848602 -3.53073 63.546000 Cu 0.944284 0.0600969 0.5 214 63.546 0.0390286 -3.51837 63.546000 Cu 0.854865 0.0843438 0.5 228 63.546 0.00138385 -3.54034 63.546000 Cu 0.972368 0.0796745 1.09089e-16 229 63.546 0.00461421 -3.53665 63.546000 Cu 0.827056 0.0646429 4.91138e-17 242 63.546 0.0309198 -3.54469 63.546000 Cu 0.708554 0.0696888 0.5 244 63.546 0.0137704 -3.54569 63.546000 Cu 0.737554 0.0891684 3.02424e-17 259 63.546 0.00336111 -3.54222 63.546000 Cu 0.119553 0.0941756 1 230 63.546 0.000802838 -3.54037 63.546000 Cu 0.177263 0.133131 2.10016e-19 248 63.546 0.00010191 -3.54013 63.546000 Cu 0.14842 0.11362 0.5 249 63.546 0.000504316 -3.54087 63.546000 Cu 0.266103 0.108744 1 251 63.546 0.000286603 -3.53979 63.546000 Cu 0.294909 0.128284 0.5 254 63.546 0.000115904 -3.53956 63.546000 Cu 0.00132564 0.0991283 0.5 232 63.546 0.00127569 -3.53889 63.546000 Cu 0.0305113 0.118548 7.50059e-19 247 63.546 9.54603e-05 -3.54027 63.546000 Cu 0.41261 0.12344 4.44635e-17 252 63.546 0.000253836 -3.53938 63.546000 Cu 0.383595 0.103941 0.5 253 63.546 0.00065781 -3.53889 63.546000 Cu 0.501326 0.0991283 0 255 63.546 0.00127569 -3.53889 63.546000 Cu 0.64842 0.11362 3.72929e-17 256 63.546 0.000504316 -3.54087 63.546000 Cu 0.619553 0.0941756 0.5 257 63.546 0.000802838 -3.54037 63.546000 Cu 0.530511 0.118548 0.5 258 63.546 9.54603e-05 -3.54027 63.546000 Cu 0.677263 0.133131 0.5 275 63.546 0.00010191 -3.54013 63.546000 Cu 0.883595 0.103941 3.12024e-18 227 63.546 0.00065781 -3.53889 63.546000 Cu 0.91261 0.12344 0.5 246 63.546 0.000253836 -3.53938 63.546000 Cu 0.766103 0.108744 0.5 260 63.546 0.000286603 -3.53979 63.546000 Cu 0.794909 0.128284 2.35218e-17 277 63.546 0.000115904 -3.53956 63.546000 Cu 0.0595466 0.138013 0.5 250 63.546 8.45412e-05 -3.54033 63.546000 Cu 0.0887103 0.157507 1 265 63.546 2.0098e-05 -3.54007 63.546000 Cu 0.235566 0.172136 5.68244e-17 266 63.546 1.02678e-05 -3.53993 63.546000 Cu 0.206327 0.152638 0.5 267 63.546 2.99279e-05 -3.53991 63.546000 Cu 0.117873 0.177004 0.5 268 63.546 2.47596e-06 -3.54012 63.546000 Cu 0.324031 0.147782 4.62336e-17 269 63.546 3.96679e-05 -3.53982 63.546000 Cu 0.353243 0.167267 0.5 272 63.546 9.3178e-06 -3.5399 63.546000 Cu 0.471009 0.162389 8.45766e-17 270 63.546 1.44821e-05 -3.54009 63.546000 Cu 0.441775 0.142916 0.5 271 63.546 5.03725e-05 -3.54006 63.546000 Cu 0.559547 0.138013 4.67136e-17 273 63.546 8.45412e-05 -3.54033 63.546000 Cu 0.58871 0.157507 0.5 276 63.546 2.0098e-05 -3.54007 63.546000 Cu 0.617873 0.177004 1 291 63.546 2.47596e-06 -3.54012 63.546000 Cu 0.941775 0.142916 1.35011e-18 245 63.546 5.03725e-05 -3.54006 63.546000 Cu 0.853243 0.167267 8.05563e-17 261 63.546 9.3178e-06 -3.5399 63.546000 Cu 0.971009 0.162389 0.5 263 63.546 1.44821e-05 -3.54009 63.546000 Cu 0.706327 0.152638 5.1364e-17 274 63.546 2.99279e-05 -3.53991 63.546000 Cu 0.824031 0.147782 0.5 278 63.546 3.96679e-05 -3.53982 63.546000 Cu 0.735566 0.172136 0.5 293 63.546 1.02678e-05 -3.53993 63.546000 Cu 0.000161075 0.181876 6.15048e-17 262 63.546 6.98745e-06 -3.54009 63.546000 Cu 0.058417 0.220869 1 280 63.546 4.6641e-05 -3.54005 63.546000 Cu 0.147027 0.196499 4.91138e-17 283 63.546 1.28111e-05 -3.53997 63.546000 Cu 0.293865 0.211098 9.57075e-17 284 63.546 4.88097e-05 -3.53996 63.546000 Cu 0.264779 0.191619 0.5 285 63.546 1.63018e-05 -3.53984 63.546000 Cu 0.176155 0.215981 0.5 286 63.546 1.54284e-05 -3.53998 63.546000 Cu 0.0293483 0.201377 0.5 281 63.546 2.0204e-05 -3.53998 63.546000 Cu 0.500161 0.181876 0.5 289 63.546 6.98745e-06 -3.54009 63.546000 Cu 0.382492 0.186747 8.19064e-18 287 63.546 1.37763e-05 -3.53988 63.546000 Cu 0.529348 0.201377 1 288 63.546 2.0204e-05 -3.53998 63.546000 Cu 0.41164 0.206238 0.5 290 63.546 8.16339e-06 -3.53995 63.546000 Cu 0.647027 0.196499 0.5 294 63.546 1.28111e-05 -3.53997 63.546000 Cu 0.44073 0.225737 8.9467e-17 305 63.546 2.57459e-05 -3.53998 63.546000 Cu 0.558417 0.220869 0.5 307 63.546 4.6641e-05 -3.54005 63.546000 Cu 0.676155 0.215981 1.13829e-16 309 63.546 1.54284e-05 -3.53998 63.546000 Cu 0.882492 0.186747 0.5 264 63.546 1.37763e-05 -3.53988 63.546000 Cu 0.91164 0.206238 1 279 63.546 8.16339e-06 -3.53995 63.546000 Cu 0.94073 0.225737 0.5 282 63.546 2.57459e-05 -3.53998 63.546000 Cu 0.764779 0.191619 5.37342e-17 292 63.546 1.63018e-05 -3.53984 63.546000 Cu 0.793865 0.211098 0.5 311 63.546 4.88097e-05 -3.53996 63.546000 Cu 0.11699 0.259823 1.80014e-19 298 63.546 7.83366e-05 -3.53989 63.546000 Cu 0.087657 0.240351 0.5 299 63.546 1.00559e-05 -3.54011 63.546000 Cu 0.205385 0.235463 2.26818e-17 301 63.546 1.98376e-05 -3.54002 63.546000 Cu 0.323118 0.230593 0.5 303 63.546 2.73512e-05 -3.54003 63.546000 Cu 0.234618 0.254942 0.5 304 63.546 7.17424e-05 -3.5399 63.546000 Cu 0.352299 0.250096 1.03418e-16 302 63.546 6.607e-06 -3.54001 63.546000 Cu 0.587657 0.240351 0 306 63.546 1.00559e-05 -3.54011 63.546000 Cu 0.469938 0.245239 0.5 308 63.546 7.32356e-05 -3.54012 63.546000 Cu 0.381425 0.269596 0.5 321 63.546 6.12636e-05 -3.53999 63.546000 Cu 0.499195 0.264719 1.47432e-16 323 63.546 3.57643e-05 -3.54008 63.546000 Cu 0.61699 0.259823 0.5 325 63.546 7.83366e-05 -3.53989 63.546000 Cu 0.881425 0.269596 4.91138e-17 295 63.546 6.12636e-05 -3.53999 63.546000 Cu 0.852299 0.250096 0.5 296 63.546 6.607e-06 -3.54001 63.546000 Cu 0.969938 0.245239 1 297 63.546 7.32356e-05 -3.54012 63.546000 Cu 0.999195 0.264719 0.5 300 63.546 3.57643e-05 -3.54008 63.546000 Cu 0.823118 0.230593 8.70068e-19 310 63.546 2.73512e-05 -3.54003 63.546000 Cu 0.705385 0.235463 0.5 312 63.546 1.98376e-05 -3.54002 63.546000 Cu 0.734618 0.254942 1 327 63.546 7.17424e-05 -3.5399 63.546000 Cu 0.17517 0.298795 3.71129e-17 316 63.546 2.03272e-05 -3.53988 63.546000 Cu 0.146112 0.2793 0.5 317 63.546 7.29669e-05 -3.54 63.546000 Cu 0.0574435 0.303666 0.5 318 63.546 2.15112e-05 -3.54017 63.546000 Cu 0.263779 0.274449 1.2181e-17 319 63.546 1.01239e-05 -3.53991 63.546000 Cu 0.292847 0.293942 0.5 322 63.546 2.27903e-05 -3.53968 63.546000 Cu 0.321856 0.31342 4.17933e-17 337 63.546 1.5067e-05 -3.53986 63.546000 Cu 0.0283671 0.284184 9.85577e-17 315 63.546 2.23995e-05 -3.54015 63.546000 Cu 0.410582 0.289077 2.26518e-16 320 63.546 3.54774e-05 -3.53996 63.546000 Cu 0.646112 0.2793 1.3141e-16 324 63.546 7.29669e-05 -3.54 63.546000 Cu 0.528367 0.284184 0.5 326 63.546 2.23995e-05 -3.54015 63.546000 Cu 0.439656 0.308549 0.5 339 63.546 7.97905e-06 -3.54014 63.546000 Cu 0.557443 0.303666 7.03555e-17 341 63.546 2.15112e-05 -3.54017 63.546000 Cu 0.67517 0.298795 0.5 343 63.546 2.03272e-05 -3.53988 63.546000 Cu 0.939656 0.308549 7.82161e-17 313 63.546 7.97905e-06 -3.54014 63.546000 Cu 0.910582 0.289077 0.5 314 63.546 3.54774e-05 -3.53996 63.546000 Cu 0.763779 0.274449 0.5 328 63.546 1.01239e-05 -3.53991 63.546000 Cu 0.792847 0.293942 1.39151e-16 345 63.546 2.27903e-05 -3.53968 63.546000 Cu 0.821856 0.31342 0.5 346 63.546 1.5067e-05 -3.53986 63.546000 Cu 0.0864205 0.323147 6.30049e-19 333 63.546 6.39936e-06 -3.54 63.546000 Cu 0.233183 0.33776 6.72052e-17 334 63.546 5.17616e-06 -3.53993 63.546000 Cu 0.204156 0.318279 0.5 335 63.546 4.81903e-06 -3.53974 63.546000 Cu 0.115448 0.342622 0.5 336 63.546 1.81298e-05 -3.54003 63.546000 Cu 0.1444 0.362101 1 351 63.546 6.88758e-06 -3.53986 63.546000 Cu 0.262148 0.357242 0.5 353 63.546 5.56399e-06 -3.53974 63.546000 Cu 0.350923 0.332903 0.5 340 63.546 2.05466e-05 -3.53998 63.546000 Cu 0.468652 0.328026 7.23957e-17 338 63.546 3.59854e-06 -3.54009 63.546000 Cu 0.586421 0.323147 0.5 344 63.546 6.39936e-06 -3.54 63.546000 Cu 0.379906 0.352375 1.14009e-18 355 63.546 6.05133e-06 -3.53976 63.546000 Cu 0.497661 0.3475 0.5 357 63.546 2.74169e-06 -3.53998 63.546000 Cu 0.615448 0.342622 7.32657e-17 359 63.546 1.81298e-05 -3.54003 63.546000 Cu 0.6444 0.362101 0.5 362 63.546 6.88758e-06 -3.53986 63.546000 Cu 0.850923 0.332903 8.67068e-17 329 63.546 2.05466e-05 -3.53998 63.546000 Cu 0.997661 0.3475 9.86777e-17 330 63.546 2.74169e-06 -3.53998 63.546000 Cu 0.968652 0.328026 0.5 331 63.546 3.59854e-06 -3.54009 63.546000 Cu 0.879906 0.352375 0.5 332 63.546 6.05133e-06 -3.53976 63.546000 Cu 0.704156 0.318279 7.74661e-17 342 63.546 4.81903e-06 -3.53974 63.546000 Cu 0.762148 0.357242 3.60028e-19 360 63.546 5.56399e-06 -3.53974 63.546000 Cu 0.733183 0.33776 0.5 361 63.546 5.17616e-06 -3.53993 63.546000 Cu 0.0555426 0.386443 9.94578e-17 348 63.546 6.03824e-05 -3.53991 63.546000 Cu 0.291111 0.376715 1 352 63.546 9.57517e-06 -3.53968 63.546000 Cu 0.173336 0.38157 0.5 354 63.546 3.43629e-05 -3.53959 63.546000 Cu 0.0847329 0.405904 0.5 367 63.546 0.000172369 -3.53934 63.546000 Cu 0.202387 0.401054 6.60052e-19 369 63.546 8.17219e-05 -3.53951 63.546000 Cu 0.320057 0.396202 0.5 371 63.546 4.72021e-05 -3.54017 63.546000 Cu 0.0266398 0.366971 0.5 349 63.546 4.84871e-06 -3.54002 63.546000 Cu 0.52664 0.366971 1 356 63.546 4.84871e-06 -3.54002 63.546000 Cu 0.408841 0.371844 0.5 358 63.546 1.00228e-05 -3.53992 63.546000 Cu 0.437799 0.391332 1 373 63.546 5.70667e-05 -3.54033 63.546000 Cu 0.584733 0.405904 1 374 63.546 0.000172369 -3.53934 63.546000 Cu 0.555543 0.386443 0.5 375 63.546 6.03824e-05 -3.53991 63.546000 Cu 0.673336 0.38157 1 377 63.546 3.43629e-05 -3.53959 63.546000 Cu 0.908841 0.371844 1.3261e-17 347 63.546 1.00228e-05 -3.53992 63.546000 Cu 0.937799 0.391332 0.5 350 63.546 5.70667e-05 -3.54033 63.546000 Cu 0.820057 0.396202 6.87354e-17 378 63.546 4.72021e-05 -3.54017 63.546000 Cu 0.791111 0.376715 0.5 379 63.546 9.57517e-06 -3.53968 63.546000 Cu 0.702387 0.401054 0.5 380 63.546 8.17219e-05 -3.53951 63.546000 Cu 0.114008 0.42539 1.89045e-16 366 63.546 0.000563719 -3.53903 63.546000 Cu 0.231484 0.42058 0.5 372 63.546 0.000204298 -3.53986 63.546000 Cu 0.143282 0.444967 0.5 385 63.546 0.00115717 -3.54029 63.546000 Cu 0.260518 0.440171 1.39961e-16 387 63.546 0.00286543 -3.54229 63.546000 Cu 0.0258037 0.449668 4.31134e-17 383 63.546 0.00425539 -3.53693 63.546000 Cu 0.34908 0.415716 1.12509e-17 370 63.546 0.00042575 -3.541 63.546000 Cu 0.466891 0.4108 0.5 376 63.546 0.000120403 -3.54039 63.546000 Cu 0.378255 0.435178 0.5 389 63.546 0.00101804 -3.54056 63.546000 Cu 0.496356 0.430225 1.18779e-16 391 63.546 0.000815947 -3.53917 63.546000 Cu 0.643282 0.444967 7.77061e-17 392 63.546 0.00115717 -3.54029 63.546000 Cu 0.614008 0.42539 0.5 393 63.546 0.000563719 -3.53903 63.546000 Cu 0.525804 0.449668 0.5 394 63.546 0.00425539 -3.53693 63.546000 Cu 0.408226 0.454508 1.37261e-16 388 63.546 0.0054306 -3.53535 63.546000 Cu 0.878255 0.435178 7.86961e-17 363 63.546 0.00101804 -3.54056 63.546000 Cu 0.84908 0.415716 0.5 364 63.546 0.00042575 -3.541 63.546000 Cu 0.966891 0.4108 2.03086e-16 365 63.546 0.000120403 -3.54039 63.546000 Cu 0.996356 0.430225 0.5 368 63.546 0.000815947 -3.53917 63.546000 Cu 0.731484 0.42058 7.29057e-18 395 63.546 0.000204298 -3.53986 63.546000 Cu 0.760518 0.440171 0.5 396 63.546 0.00286543 -3.54229 63.546000 Cu 0.908226 0.454508 0.5 382 63.546 0.0054306 -3.53535 63.546000 Cu 0.171581 0.46468 1.59012e-18 384 63.546 0.0271868 -3.54478 63.546000 Cu 0.0545384 0.46921 0.5 386 63.546 0.0397082 -3.51793 63.546000 Cu 0.289918 0.459679 0.5 390 63.546 0.0138989 -3.546 63.546000 Cu 0.0823804 0.48983 1 399 63.546 0.573244 -3.43859 63.546000 Cu 0.197377 0.483872 0.5 400 63.546 0.533427 -3.47189 63.546000 Cu 0.321687 0.478689 1.08008e-18 401 63.546 0.0794237 -3.53115 63.546000 Cu 0.473738 0.49378 1 402 63.546 0.704709 -3.47312 63.546000 Cu 0.43911 0.474075 0.5 403 63.546 0.044772 -3.5332 63.546000 Cu 0.554538 0.46921 6.72953e-17 405 63.546 0.0397082 -3.51793 63.546000 Cu 0.58238 0.48983 0.5 408 63.546 0.573244 -3.43859 63.546000 Cu 0.347265 0.497562 0.5 404 63.546 3.01991 -3.46169 63.546000 Cu 0.671581 0.46468 0.5 407 63.546 0.0271868 -3.54478 63.546000 Cu 0.821687 0.478689 0.5 1 63.546 0.0794237 -3.53115 63.546000 Cu 0.789918 0.459679 4.38334e-17 8 63.546 0.0138989 -3.546 63.546000 Cu 0.93911 0.474075 1 381 63.546 0.044772 -3.5332 63.546000 Cu 0.973738 0.49378 0.5 398 63.546 0.704709 -3.47312 63.546000 Cu 0.697377 0.483872 4.78237e-17 406 63.546 0.533427 -3.47189 63.546000 Cu 0.847265 0.497562 1 397 63.546 3.01991 -3.46169 63.546000 Cu 0.121229 0.514832 0.5 5 63.546 8.40115 -3.49882 63.546000 Cu 0.227032 0.501711 1.53012e-18 6 63.546 9.13897 -3.29475 63.546000 Cu 0.228225 0.527732 1 7 63.546 9.05784 -3.29154 63.546000 Cu 0.0832333 0.539436 3.9003e-19 21 63.546 0.538111 -3.44434 63.546000 Cu 0.374046 0.514685 1 9 63.546 7.9218 -3.24341 63.546000 Cu 0.47444 0.535512 1.46111e-17 10 63.546 0.656844 -3.47648 63.546000 Cu 0.49664 0.514648 0.5 11 63.546 3.601 -3.52303 63.546000 Cu 0.348318 0.531834 0.5 12 63.546 2.96056 -3.46097 63.546000 Cu 0.621229 0.514832 1 13 63.546 8.40115 -3.49882 63.546000 Cu 0.583233 0.539436 0.5 16 63.546 0.538111 -3.44434 63.546000 Cu 0.99664 0.514648 1 3 63.546 3.601 -3.52303 63.546000 Cu 0.97444 0.535512 0.5 19 63.546 0.656844 -3.47648 63.546000 Cu 0.727032 0.501711 0.5 2 63.546 9.13897 -3.29475 63.546000 Cu 0.874046 0.514685 0.5 4 63.546 7.9218 -3.24341 63.546000 Cu 0.728225 0.527732 0.5 15 63.546 9.05784 -3.29154 63.546000 Cu 0.848318 0.531834 1 17 63.546 2.96056 -3.46097 63.546000 Cu 0.198451 0.545492 0.5 24 63.546 0.503772 -3.47145 63.546000 Cu 0.0558166 0.560085 0.5 22 63.546 0.0390714 -3.51837 63.546000 Cu 0.172946 0.564613 1.92315e-17 23 63.546 0.0322183 -3.54464 63.546000 Cu 0.291447 0.569661 0.5 28 63.546 0.0141439 -3.54573 63.546000 Cu 0.0275905 0.579651 4.91138e-17 37 63.546 0.00480906 -3.53657 63.546000 Cu 0.145026 0.584313 0.5 40 63.546 0.00135147 -3.54026 63.546000 Cu 0.262325 0.58913 9.93678e-17 41 63.546 0.00364315 -3.54229 63.546000 Cu 0.32307 0.55071 1 25 63.546 0.0866635 -3.53065 63.546000 Cu 0.40996 0.574844 2.90423e-17 26 63.546 0.00741263 -3.5349 63.546000 Cu 0.440495 0.555279 0.5 27 63.546 0.047519 -3.53309 63.546000 Cu 0.555817 0.560085 1.11009e-18 29 63.546 0.0390714 -3.51837 63.546000 Cu 0.52759 0.579651 0.5 32 63.546 0.00480906 -3.53657 63.546000 Cu 0.645026 0.584313 5.26241e-17 30 63.546 0.00135147 -3.54026 63.546000 Cu 0.698451 0.545492 1 14 63.546 0.503772 -3.47145 63.546000 Cu 0.940495 0.555279 3.30026e-19 18 63.546 0.047519 -3.53309 63.546000 Cu 0.82307 0.55071 0.5 20 63.546 0.0866635 -3.53065 63.546000 Cu 0.672946 0.564613 0.5 31 63.546 0.0322183 -3.54464 63.546000 Cu 0.791447 0.569661 9.33073e-17 33 63.546 0.0141439 -3.54573 63.546000 Cu 0.90996 0.574844 0.5 35 63.546 0.00741263 -3.5349 63.546000 Cu 0.762325 0.58913 0.5 36 63.546 0.00364315 -3.54229 63.546000 Cu 0.116227 0.603906 4.91138e-17 38 63.546 0.000678483 -3.53893 63.546000 Cu 0.233689 0.608705 0.5 44 63.546 0.000294768 -3.53983 63.546000 Cu 0.0871459 0.62341 0.5 55 63.546 0.000319532 -3.53949 63.546000 Cu 0.204834 0.628254 1.14939e-16 57 63.546 0.000125996 -3.53962 63.546000 Cu 0.322434 0.633093 0.5 59 63.546 9.29893e-05 -3.54016 63.546000 Cu 0.351328 0.613576 4.91138e-17 42 63.546 0.000674643 -3.54091 63.546000 Cu 0.380298 0.59414 0.5 43 63.546 0.000846037 -3.54035 63.546000 Cu 0.49852 0.599099 5.40042e-19 45 63.546 0.0014274 -3.53889 63.546000 Cu 0.587146 0.62341 8.9407e-18 46 63.546 0.000319532 -3.53949 63.546000 Cu 0.616227 0.603906 0.5 47 63.546 0.000678483 -3.53893 63.546000 Cu 0.46924 0.618511 0.5 48 63.546 0.000100357 -3.54035 63.546000 Cu 0.99852 0.599099 0.5 39 63.546 0.0014274 -3.53889 63.546000 Cu 0.96924 0.618511 1.41311e-17 53 63.546 0.000100357 -3.54035 63.546000 Cu 0.880298 0.59414 6.00047e-20 34 63.546 0.000846037 -3.54035 63.546000 Cu 0.733689 0.608705 1 49 63.546 0.000294768 -3.53983 63.546000 Cu 0.822434 0.633093 6.90054e-19 50 63.546 9.29893e-05 -3.54016 63.546000 Cu 0.851328 0.613576 0.5 51 63.546 0.000674643 -3.54091 63.546000 Cu 0.704834 0.628254 0.5 52 63.546 0.000125996 -3.53962 63.546000 Cu 0.0579385 0.64288 4.91138e-17 54 63.546 3.33379e-05 -3.54001 63.546000 Cu 0.293458 0.652608 4.86638e-17 58 63.546 3.25284e-05 -3.53981 63.546000 Cu 0.175736 0.647754 0.5 60 63.546 6.82717e-05 -3.53979 63.546000 Cu 0.0287709 0.662351 0.5 71 63.546 4.26036e-05 -3.54005 63.546000 Cu 0.146584 0.667235 1 74 63.546 7.1091e-06 -3.53991 63.546000 Cu 0.264317 0.67211 0.5 76 63.546 2.16061e-05 -3.53989 63.546000 Cu 0.440154 0.637971 4.05032e-17 61 63.546 0.000116659 -3.54033 63.546000 Cu 0.528771 0.662351 1.3261e-16 62 63.546 4.26036e-05 -3.54005 63.546000 Cu 0.557939 0.64288 0.5 63 63.546 3.33379e-05 -3.54001 63.546000 Cu 0.411066 0.65747 0.5 64 63.546 3.77183e-05 -3.53999 63.546000 Cu 0.382019 0.676979 8.9107e-17 77 63.546 4.90107e-06 -3.54007 63.546000 Cu 0.646584 0.667235 0.5 68 63.546 7.1091e-06 -3.53991 63.546000 Cu 0.940154 0.637971 0.5 56 63.546 0.000116659 -3.54033 63.546000 Cu 0.675736 0.647754 9.74176e-17 65 63.546 6.82717e-05 -3.53979 63.546000 Cu 0.764317 0.67211 2.86522e-17 66 63.546 2.16061e-05 -3.53989 63.546000 Cu 0.793458 0.652608 0.5 67 63.546 3.25284e-05 -3.53981 63.546000 Cu 0.911066 0.65747 2.04016e-18 69 63.546 3.77183e-05 -3.53999 63.546000 Cu 0.882019 0.676979 0.5 72 63.546 4.90107e-06 -3.54007 63.546000 Cu 0.117428 0.686717 0.5 73 63.546 1.92773e-05 -3.53989 63.546000 Cu 0.235169 0.691597 9.30073e-18 75 63.546 3.94488e-06 -3.53988 63.546000 Cu 0.0882897 0.706217 4.34734e-17 89 63.546 2.18695e-05 -3.53998 63.546000 Cu 0.0591858 0.725732 0.5 90 63.546 1.96064e-05 -3.54006 63.546000 Cu 0.206072 0.71108 0.5 92 63.546 7.8517e-05 -3.53999 63.546000 Cu 0.323795 0.715972 2.10016e-19 93 63.546 2.76725e-05 -3.54003 63.546000 Cu 0.499746 0.681846 0.5 79 63.546 2.09732e-05 -3.54004 63.546000 Cu 0.470613 0.701358 3.72029e-17 78 63.546 1.08221e-05 -3.54002 63.546000 Cu 0.352933 0.696483 0.5 80 63.546 2.60366e-05 -3.54 63.546000 Cu 0.617428 0.686717 6.05447e-17 81 63.546 1.92773e-05 -3.53989 63.546000 Cu 0.58829 0.706217 0.5 84 63.546 2.18695e-05 -3.53998 63.546000 Cu 0.441517 0.720868 0.5 95 63.546 8.71681e-05 -3.54012 63.546000 Cu 0.559186 0.725732 6.99055e-18 97 63.546 1.96064e-05 -3.54006 63.546000 Cu 0.999746 0.681846 6.78353e-17 70 63.546 2.09732e-05 -3.54004 63.546000 Cu 0.970613 0.701358 0.5 87 63.546 1.08221e-05 -3.54002 63.546000 Cu 0.706072 0.71108 4.22433e-17 82 63.546 7.8517e-05 -3.53999 63.546000 Cu 0.735169 0.691597 0.5 83 63.546 3.94488e-06 -3.53988 63.546000 Cu 0.852933 0.696483 6.21949e-17 85 63.546 2.60366e-05 -3.54 63.546000 Cu 0.941517 0.720868 1.03178e-16 86 63.546 8.71681e-05 -3.54012 63.546000 Cu 0.823795 0.715972 0.5 88 63.546 2.76725e-05 -3.54003 63.546000 Cu 0.176774 0.730582 1 91 63.546 7.30869e-05 -3.54012 63.546000 Cu 0.294498 0.735458 0.5 96 63.546 4.40986e-05 -3.5401 63.546000 Cu 0.0299927 0.745247 8.69168e-17 105 63.546 0.000115956 -3.54012 63.546000 Cu 0.118616 0.769606 1 106 63.546 7.19707e-05 -3.53985 63.546000 Cu 0.00079519 0.764732 0.5 107 63.546 8.08064e-05 -3.53995 63.546000 Cu 0.14763 0.750103 0.5 108 63.546 3.2415e-05 -3.54003 63.546000 Cu 0.265315 0.754947 4.91138e-17 109 63.546 0.000104154 -3.53994 63.546000 Cu 0.412256 0.740356 4.91138e-17 94 63.546 1.42805e-05 -3.54013 63.546000 Cu 0.529993 0.745247 0.5 100 63.546 0.000115956 -3.54012 63.546000 Cu 0.38298 0.75983 0.5 111 63.546 0.000126794 -3.53989 63.546000 Cu 0.500795 0.764732 1 113 63.546 8.08064e-05 -3.53995 63.546000 Cu 0.618616 0.769606 0.5 115 63.546 7.19707e-05 -3.53985 63.546000 Cu 0.64763 0.750103 4.91138e-17 98 63.546 3.2415e-05 -3.54003 63.546000 Cu 0.676774 0.730582 0.5 99 63.546 7.30869e-05 -3.54012 63.546000 Cu 0.794498 0.735458 1 101 63.546 4.40986e-05 -3.5401 63.546000 Cu 0.88298 0.75983 2.73621e-17 102 63.546 0.000126794 -3.53989 63.546000 Cu 0.912256 0.740356 0.5 103 63.546 1.42805e-05 -3.54013 63.546000 Cu 0.765315 0.754947 0.5 104 63.546 0.000104154 -3.53994 63.546000 Cu 0.236306 0.774458 0.5 112 63.546 1.27457e-05 -3.53983 63.546000 Cu 0.0606737 0.808564 1 122 63.546 1.02578e-05 -3.54006 63.546000 Cu 0.0896132 0.789088 0.5 123 63.546 2.68936e-05 -3.5399 63.546000 Cu 0.207393 0.793952 1 125 63.546 1.91762e-05 -3.53964 63.546000 Cu 0.17851 0.81343 0.5 128 63.546 2.29409e-05 -3.53984 63.546000 Cu 0.325108 0.798808 0.5 127 63.546 1.77126e-05 -3.53987 63.546000 Cu 0.354009 0.779311 8.51767e-17 110 63.546 7.14956e-05 -3.54002 63.546000 Cu 0.589613 0.789088 1 114 63.546 2.68936e-05 -3.5399 63.546000 Cu 0.471809 0.784197 0.5 116 63.546 1.66983e-05 -3.5401 63.546000 Cu 0.442888 0.803683 5.24441e-17 129 63.546 6.35386e-06 -3.54012 63.546000 Cu 0.560674 0.808564 0.5 131 63.546 1.02578e-05 -3.54006 63.546000 Cu 0.971809 0.784197 1 121 63.546 1.66983e-05 -3.5401 63.546000 Cu 0.736306 0.774458 1 117 63.546 1.27457e-05 -3.53983 63.546000 Cu 0.825108 0.798808 1.48212e-17 118 63.546 1.77126e-05 -3.53987 63.546000 Cu 0.854009 0.779311 0.5 119 63.546 7.14956e-05 -3.54002 63.546000 Cu 0.707393 0.793952 0.5 120 63.546 1.91762e-05 -3.53964 63.546000 Cu 0.942888 0.803683 0.5 124 63.546 6.35386e-06 -3.54012 63.546000 Cu 0.67851 0.81343 9.0007e-19 133 63.546 2.29409e-05 -3.53984 63.546000 Cu 0.296226 0.818288 2.84722e-17 126 63.546 1.22192e-05 -3.53973 63.546000 Cu 0.00283886 0.847514 7.20056e-19 138 63.546 5.71066e-06 -3.53995 63.546000 Cu 0.0317773 0.82804 0.5 139 63.546 5.64185e-06 -3.54004 63.546000 Cu 0.120602 0.852388 0.5 141 63.546 9.2658e-06 -3.53975 63.546000 Cu 0.149518 0.832916 9.0007e-20 142 63.546 2.07746e-05 -3.54 63.546000 Cu 0.238358 0.857253 1 143 63.546 5.55944e-06 -3.53974 63.546000 Cu 0.267274 0.83777 0.5 144 63.546 4.36577e-06 -3.53994 63.546000 Cu 0.531777 0.82804 1 130 63.546 5.64185e-06 -3.54004 63.546000 Cu 0.414008 0.823159 0.5 132 63.546 1.13449e-05 -3.53998 63.546000 Cu 0.385019 0.842634 6.78653e-17 145 63.546 1.81647e-05 -3.54006 63.546000 Cu 0.502839 0.847514 0.5 147 63.546 5.71066e-06 -3.53995 63.546000 Cu 0.356108 0.862109 0.5 148 63.546 9.42309e-06 -3.53984 63.546000 Cu 0.620602 0.852388 1.3201e-18 149 63.546 9.2658e-06 -3.53975 63.546000 Cu 0.649518 0.832916 0.5 136 63.546 2.07746e-05 -3.54 63.546000 Cu 0.767274 0.83777 1 134 63.546 4.36577e-06 -3.53994 63.546000 Cu 0.796226 0.818288 0.5 135 63.546 1.22192e-05 -3.53973 63.546000 Cu 0.914008 0.823159 1 137 63.546 1.13449e-05 -3.53998 63.546000 Cu 0.885019 0.842634 0.5 140 63.546 1.81647e-05 -3.54006 63.546000 Cu 0.738358 0.857253 0.5 151 63.546 5.55944e-06 -3.53974 63.546000 Cu 0.856108 0.862109 1.20909e-17 153 63.546 9.42309e-06 -3.53984 63.546000 Cu 0.0916797 0.871854 1.13109e-17 157 63.546 9.70917e-06 -3.53993 63.546000 Cu 0.0627284 0.891339 0.5 158 63.546 3.82473e-05 -3.54035 63.546000 Cu 0.180477 0.89621 3.51027e-18 159 63.546 3.97591e-05 -3.54013 63.546000 Cu 0.20944 0.876728 0.5 160 63.546 1.28099e-05 -3.53971 63.546000 Cu 0.298154 0.901066 0.5 164 63.546 6.45376e-05 -3.5394 63.546000 Cu 0.327197 0.881581 6.03047e-17 161 63.546 3.51751e-05 -3.53966 63.546000 Cu 0.473873 0.86698 1 146 63.546 7.44127e-06 -3.53998 63.546000 Cu 0.59168 0.871854 0.5 152 63.546 9.70917e-06 -3.53993 63.546000 Cu 0.415816 0.905917 1.2598e-16 162 63.546 0.000137782 -3.53929 63.546000 Cu 0.444988 0.886454 0.5 163 63.546 5.90513e-05 -3.54 63.546000 Cu 0.562728 0.891339 9.76276e-17 165 63.546 3.82473e-05 -3.54035 63.546000 Cu 0.973873 0.86698 0.5 155 63.546 7.44127e-06 -3.53998 63.546000 Cu 0.70944 0.876728 1.52412e-17 150 63.546 1.28099e-05 -3.53971 63.546000 Cu 0.944988 0.886454 5.49043e-18 154 63.546 5.90513e-05 -3.54 63.546000 Cu 0.827197 0.881581 0.5 156 63.546 3.51751e-05 -3.53966 63.546000 Cu 0.680477 0.89621 0.5 167 63.546 3.97591e-05 -3.54013 63.546000 Cu 0.798154 0.901066 1.20009e-19 169 63.546 6.45376e-05 -3.5394 63.546000 Cu 0.915816 0.905917 0.5 171 63.546 0.000137782 -3.53929 63.546000 Cu 0.0336538 0.910808 3.8433e-17 173 63.546 0.000128322 -3.5404 63.546000 Cu 0.122282 0.935181 7.77061e-17 174 63.546 0.00107925 -3.5406 63.546000 Cu 0.00419607 0.930233 0.5 175 63.546 0.000726727 -3.53925 63.546000 Cu 0.151474 0.915718 0.5 176 63.546 0.000395434 -3.54101 63.546000 Cu 0.269061 0.920583 6.73853e-17 177 63.546 0.000230999 -3.53978 63.546000 Cu 0.239987 0.940175 0.5 180 63.546 0.00288334 -3.54225 63.546000 Cu 0.0922659 0.95451 0.5 191 63.546 0.00538145 -3.53525 63.546000 Cu 0.533654 0.910808 0.5 168 63.546 0.000128322 -3.5404 63.546000 Cu 0.357191 0.944971 2.10016e-17 178 63.546 0.0012311 -3.54035 63.546000 Cu 0.386517 0.925395 0.5 179 63.546 0.000606276 -3.53907 63.546000 Cu 0.504196 0.930233 2.89823e-17 181 63.546 0.000726727 -3.53925 63.546000 Cu 0.622282 0.935181 0.5 183 63.546 0.00107925 -3.5406 63.546000 Cu 0.474714 0.949672 0.5 184 63.546 0.0041224 -3.53694 63.546000 Cu 0.651474 0.915718 9.69076e-18 166 63.546 0.000395434 -3.54101 63.546000 Cu 0.592266 0.95451 8.12163e-17 182 63.546 0.00538145 -3.53525 63.546000 Cu 0.974714 0.949672 3.66029e-17 189 63.546 0.0041224 -3.53694 63.546000 Cu 0.886517 0.925395 4.91138e-17 170 63.546 0.000606276 -3.53907 63.546000 Cu 0.769061 0.920583 0.5 172 63.546 0.000230999 -3.53978 63.546000 Cu 0.739987 0.940175 1 185 63.546 0.00288334 -3.54225 63.546000 Cu 0.857191 0.944971 0.5 187 63.546 0.0012311 -3.54035 63.546000 Cu 0.153212 0.99757 3.38726e-17 208 63.546 3.03 -3.46133 63.546000 Cu 0.0613589 0.974074 1.87215e-17 190 63.546 0.0445062 -3.53326 63.546000 Cu 0.210569 0.95968 1 193 63.546 0.0139128 -3.54595 63.546000 Cu 0.30307 0.983872 1 194 63.546 0.528754 -3.47221 63.546000 Cu 0.178788 0.978691 0.5 196 63.546 0.0790342 -3.53122 63.546000 Cu 0.0267215 0.993775 0.5 204 63.546 0.700299 -3.47313 63.546000 Cu 0.32887 0.964676 0.5 195 63.546 0.0264807 -3.54485 63.546000 Cu 0.653212 0.99757 0.5 225 63.546 3.03 -3.46133 63.546000 Cu 0.445949 0.969204 3.37826e-17 197 63.546 0.0401499 -3.51802 63.546000 Cu 0.526722 0.993775 8.33765e-17 198 63.546 0.700299 -3.47313 63.546000 Cu 0.561359 0.974074 0.5 199 63.546 0.0445062 -3.53326 63.546000 Cu 0.418056 0.989819 0.5 200 63.546 0.56701 -3.43919 63.546000 Cu 0.82887 0.964676 2.14247e-16 186 63.546 0.0264807 -3.54485 63.546000 Cu 0.710569 0.95968 0.5 188 63.546 0.0139128 -3.54595 63.546000 Cu 0.945949 0.969204 0.5 192 63.546 0.0401499 -3.51802 63.546000 Cu 0.678788 0.978691 6.01847e-17 201 63.546 0.0790342 -3.53122 63.546000 Cu 0.80307 0.983872 0.5 202 63.546 0.528754 -3.47221 63.546000 Cu 0.918056 0.989819 1.04948e-16 203 63.546 0.56701 -3.43919