Number of particles = 460 A = 1 Angstrom (basic length-scale) H0(1,1) = 19.5063 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 78.2809 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.62988 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 0.063483 0.0382736 1.85186e-18 245 63.546 0.106608 -1.55113 63.546000 Cu 0.0312775 0.0155617 0.5 246 63.546 1.94888 -1.47247 63.546000 Cu 0.120216 0.0104644 1 248 63.546 9.32324 -1.33397 63.546000 Cu 0.152113 0.0300737 0.5 251 63.546 0.237999 -1.53106 63.546000 Cu 0.235899 0.0225638 1 249 63.546 0.768281 -1.49121 63.546000 Cu 0.327743 0.0123633 0.5 253 63.546 2.41637 -1.48027 63.546000 Cu 0.36018 0.0330475 1 269 63.546 0.457559 -1.50172 63.546000 Cu 0.444695 0.0230709 0.5 271 63.546 0.786387 -1.48627 63.546000 Cu 0.531277 0.0155617 1.61232e-16 273 63.546 1.94888 -1.47247 63.546000 Cu 0.652113 0.0300737 1 274 63.546 0.237999 -1.53106 63.546000 Cu 0.620216 0.0104644 0.5 275 63.546 9.32324 -1.33397 63.546000 Cu 0.563483 0.0382736 0.5 276 63.546 0.106608 -1.55113 63.546000 Cu 0.827743 0.0123633 1 236 63.546 2.41637 -1.48027 63.546000 Cu 0.735899 0.0225638 0.5 237 63.546 0.768281 -1.49121 63.546000 Cu 0.86018 0.0330475 0.5 242 63.546 0.457559 -1.50172 63.546000 Cu 0.944695 0.0230709 1 244 63.546 0.786387 -1.48627 63.546000 Cu 0.0133507 0.068328 1 261 63.546 0.00869398 -1.54813 63.546000 Cu 0.0989224 0.0599302 0.5 263 63.546 0.0132714 -1.54851 63.546000 Cu 0.185133 0.0518192 1 265 63.546 0.0490815 -1.55391 63.546000 Cu 0.308108 0.0637707 1 266 63.546 0.0116485 -1.5544 63.546000 Cu 0.274 0.0426656 0.5 267 63.546 0.0367446 -1.5378 63.546000 Cu 0.220816 0.0728212 0.5 268 63.546 0.00485131 -1.55112 63.546000 Cu 0.479124 0.0459237 1 270 63.546 0.0224089 -1.54259 63.546000 Cu 0.394752 0.0545147 0.5 272 63.546 0.0458668 -1.55197 63.546000 Cu 0.428026 0.0765804 5.18522e-17 293 63.546 0.00692529 -1.55097 63.546000 Cu 0.513351 0.068328 0.5 295 63.546 0.00869398 -1.54813 63.546000 Cu 0.598922 0.0599302 1 297 63.546 0.0132714 -1.54851 63.546000 Cu 0.720816 0.0728212 1 239 63.546 0.00485131 -1.55112 63.546000 Cu 0.774 0.0426656 1 240 63.546 0.0367446 -1.5378 63.546000 Cu 0.808108 0.0637707 0.5 243 63.546 0.0116485 -1.5544 63.546000 Cu 0.685133 0.0518192 0.5 298 63.546 0.0490815 -1.55391 63.546000 Cu 0.894752 0.0545147 1 241 63.546 0.0458668 -1.55197 63.546000 Cu 0.979124 0.0459237 0.5 247 63.546 0.0224089 -1.54259 63.546000 Cu 0.928026 0.0765804 0.5 259 63.546 0.00692529 -1.55097 63.546000 Cu 0.133944 0.0816333 1 262 63.546 0.00764186 -1.55027 63.546000 Cu 0.0479051 0.0901245 0.5 264 63.546 0.00352159 -1.54997 63.546000 Cu 0.0826453 0.111763 1 285 63.546 0.00203002 -1.55128 63.546000 Cu 0.169084 0.103041 0.5 287 63.546 0.000788431 -1.55151 63.546000 Cu 0.255672 0.0941651 4.71329e-17 289 63.546 0.00219214 -1.55327 63.546000 Cu 0.290186 0.115737 0.5 292 63.546 0.00169597 -1.55279 63.546000 Cu 0.376247 0.107056 3.33515e-16 290 63.546 0.00140598 -1.55239 63.546000 Cu 0.342173 0.0852829 0.5 291 63.546 0.00705767 -1.55352 63.546000 Cu 0.462048 0.0985454 0.5 296 63.546 0.00098407 -1.55097 63.546000 Cu 0.547905 0.0901245 1 294 63.546 0.00352159 -1.54997 63.546000 Cu 0.633944 0.0816333 0.5 299 63.546 0.00764186 -1.55027 63.546000 Cu 0.582645 0.111763 0.5 320 63.546 0.00203002 -1.55128 63.546000 Cu 0.669084 0.103041 1.36799e-16 322 63.546 0.000788431 -1.55151 63.546000 Cu 0.790186 0.115737 1 254 63.546 0.00169597 -1.55279 63.546000 Cu 0.755672 0.0941651 0.5 255 63.546 0.00219214 -1.55327 63.546000 Cu 0.842173 0.0852829 1 257 63.546 0.00705767 -1.55352 63.546000 Cu 0.962048 0.0985454 1.51375e-16 258 63.546 0.00098407 -1.55097 63.546000 Cu 0.876247 0.107056 0.5 260 63.546 0.00140598 -1.55239 63.546000 Cu 0.0312845 0.141962 1 282 63.546 0.000532622 -1.55159 63.546000 Cu 0.117494 0.133286 0.5 288 63.546 0.000252596 -1.55189 63.546000 Cu 0.152338 0.154839 1 310 63.546 0.000130739 -1.55227 63.546000 Cu 0.203883 0.124528 3.22762e-16 286 63.546 0.000418102 -1.55253 63.546000 Cu 0.238538 0.146118 0.5 312 63.546 0.000458247 -1.55245 63.546000 Cu 0.324631 0.137435 1 314 63.546 0.000464434 -1.5523 63.546000 Cu 0.44515 0.150565 1 315 63.546 0.000306233 -1.55173 63.546000 Cu 0.41061 0.128846 0.5 316 63.546 0.000157383 -1.5518 63.546000 Cu 0.359133 0.159157 0.5 317 63.546 6.3227e-05 -1.55193 63.546000 Cu 0.496532 0.120317 1 318 63.546 0.000997941 -1.55115 63.546000 Cu 0.617494 0.133286 1.78735e-16 319 63.546 0.000252596 -1.55189 63.546000 Cu 0.531285 0.141962 0.5 321 63.546 0.000532622 -1.55159 63.546000 Cu 0.652338 0.154839 0.5 345 63.546 0.000130739 -1.55227 63.546000 Cu 0.703883 0.124528 0.5 256 63.546 0.000418102 -1.55253 63.546000 Cu 0.738538 0.146118 4.24794e-16 277 63.546 0.000458247 -1.55245 63.546000 Cu 0.824631 0.137435 0.5 279 63.546 0.000464434 -1.5523 63.546000 Cu 0.859133 0.159157 1 278 63.546 6.3227e-05 -1.55193 63.546000 Cu 0.91061 0.128846 2.15354e-16 281 63.546 0.000157383 -1.5518 63.546000 Cu 0.996532 0.120317 0.5 283 63.546 0.000997941 -1.55115 63.546000 Cu 0.94515 0.150565 0.5 284 63.546 0.000306233 -1.55173 63.546000 Cu 0.100866 0.185147 1 307 63.546 4.20066e-05 -1.5522 63.546000 Cu 0.0660951 0.163549 0.5 308 63.546 6.37862e-05 -1.55198 63.546000 Cu 0.014695 0.193826 0.5 309 63.546 1.70408e-05 -1.55202 63.546000 Cu 0.273126 0.167785 1 311 63.546 0.000122468 -1.55222 63.546000 Cu 0.187036 0.176458 0.5 313 63.546 0.000125277 -1.55229 63.546000 Cu 0.221669 0.198118 1 335 63.546 2.9628e-05 -1.5522 63.546000 Cu 0.307741 0.189475 0.5 337 63.546 3.4833e-05 -1.55203 63.546000 Cu 0.393784 0.180843 1 339 63.546 9.54755e-05 -1.55183 63.546000 Cu 0.479885 0.172213 0.5 341 63.546 0.000161028 -1.55183 63.546000 Cu 0.514695 0.193826 1 340 63.546 1.70408e-05 -1.55202 63.546000 Cu 0.566095 0.163549 9.19958e-17 343 63.546 6.37862e-05 -1.55198 63.546000 Cu 0.600866 0.185147 0.5 346 63.546 4.20066e-05 -1.5522 63.546000 Cu 0.773126 0.167785 0.5 280 63.546 0.000122468 -1.55222 63.546000 Cu 0.721669 0.198118 0.5 301 63.546 2.9628e-05 -1.5522 63.546000 Cu 0.807741 0.189475 1.6386e-16 302 63.546 3.4833e-05 -1.55203 63.546000 Cu 0.687036 0.176458 4.71329e-17 344 63.546 0.000125277 -1.55229 63.546000 Cu 0.893784 0.180843 0.5 304 63.546 9.54755e-05 -1.55183 63.546000 Cu 0.979885 0.172213 4.71329e-17 306 63.546 0.000161028 -1.55183 63.546000 Cu 0.049458 0.215454 5.18701e-16 331 63.546 9.7962e-06 -1.55218 63.546000 Cu 0.135572 0.206782 0.5 333 63.546 1.89417e-05 -1.55225 63.546000 Cu 0.084153 0.237096 0.5 334 63.546 1.62991e-05 -1.55216 63.546000 Cu 0.170279 0.228434 1 332 63.546 1.09765e-05 -1.55216 63.546000 Cu 0.256404 0.219781 0.5 338 63.546 6.69485e-06 -1.5521 63.546000 Cu 0.342489 0.211135 1 336 63.546 9.98266e-06 -1.55198 63.546000 Cu 0.428579 0.202492 0.5 342 63.546 3.25912e-05 -1.55194 63.546000 Cu 0.37724 0.232781 0.5 362 63.546 3.47426e-05 -1.55207 63.546000 Cu 0.463346 0.224122 1 364 63.546 1.70799e-05 -1.55208 63.546000 Cu 0.584153 0.237096 1 365 63.546 1.62991e-05 -1.55216 63.546000 Cu 0.549458 0.215454 0.5 366 63.546 9.7962e-06 -1.55218 63.546000 Cu 0.635572 0.206782 1 368 63.546 1.89417e-05 -1.55225 63.546000 Cu 0.670279 0.228434 0.5 369 63.546 1.09765e-05 -1.55216 63.546000 Cu 0.756404 0.219781 1.47313e-16 300 63.546 6.69485e-06 -1.5521 63.546000 Cu 0.928579 0.202492 2.45282e-16 303 63.546 3.25912e-05 -1.55194 63.546000 Cu 0.842489 0.211135 0.5 305 63.546 9.98266e-06 -1.55198 63.546000 Cu 0.87724 0.232781 1 327 63.546 3.47426e-05 -1.55207 63.546000 Cu 0.963346 0.224122 0.5 329 63.546 1.70799e-05 -1.55208 63.546000 Cu 0.0326068 0.267378 0.5 354 63.546 3.421e-05 -1.55196 63.546000 Cu 0.118814 0.258723 5.7808e-16 356 63.546 5.35005e-05 -1.55198 63.546000 Cu 0.239524 0.271714 1 357 63.546 3.50913e-05 -1.55198 63.546000 Cu 0.204996 0.250076 0.5 358 63.546 6.68662e-05 -1.55204 63.546000 Cu 0.291129 0.241431 5.97376e-20 360 63.546 4.76176e-05 -1.55207 63.546000 Cu 0.325703 0.26307 0.5 363 63.546 5.41952e-05 -1.55204 63.546000 Cu 0.411874 0.254416 1.0233e-16 361 63.546 5.19983e-05 -1.55209 63.546000 Cu 0.49801 0.245755 0.5 367 63.546 2.31697e-05 -1.55214 63.546000 Cu 0.446366 0.276033 0.5 387 63.546 1.5126e-05 -1.55197 63.546000 Cu 0.532607 0.267378 1 389 63.546 3.421e-05 -1.55196 63.546000 Cu 0.618814 0.258723 0.5 391 63.546 5.35005e-05 -1.55198 63.546000 Cu 0.704996 0.250076 3.44447e-16 323 63.546 6.68662e-05 -1.55204 63.546000 Cu 0.825703 0.26307 5.1894e-16 324 63.546 5.41952e-05 -1.55204 63.546000 Cu 0.791129 0.241431 0.5 325 63.546 4.76176e-05 -1.55207 63.546000 Cu 0.739524 0.271714 0.5 326 63.546 3.50913e-05 -1.55198 63.546000 Cu 0.99801 0.245755 1.55318e-16 328 63.546 2.31697e-05 -1.55214 63.546000 Cu 0.911874 0.254416 0.5 330 63.546 5.19983e-05 -1.55209 63.546000 Cu 0.946366 0.276033 4.18163e-19 352 63.546 1.5126e-05 -1.55197 63.546000 Cu 0.0671069 0.288982 4.71329e-17 353 63.546 4.28782e-05 -1.55181 63.546000 Cu 0.15332 0.28035 0.5 359 63.546 2.46046e-05 -1.55189 63.546000 Cu 0.0155031 0.319222 1 377 63.546 0.000164282 -1.55182 63.546000 Cu 0.101615 0.310607 0.5 379 63.546 7.4814e-05 -1.55189 63.546000 Cu 0.187747 0.301995 7.96899e-17 381 63.546 3.97569e-05 -1.55203 63.546000 Cu 0.308428 0.314976 1 382 63.546 8.55134e-05 -1.55231 63.546000 Cu 0.273901 0.293355 0.5 383 63.546 7.53832e-05 -1.55211 63.546000 Cu 0.360134 0.284692 1 385 63.546 2.63929e-05 -1.55206 63.546000 Cu 0.480869 0.297627 1.23059e-17 386 63.546 4.55938e-05 -1.55191 63.546000 Cu 0.394633 0.306296 0.5 388 63.546 5.19239e-05 -1.55211 63.546000 Cu 0.65332 0.28035 1 390 63.546 2.46046e-05 -1.55189 63.546000 Cu 0.567107 0.288982 0.5 392 63.546 4.28782e-05 -1.55181 63.546000 Cu 0.515503 0.319222 0.5 411 63.546 0.000164282 -1.55182 63.546000 Cu 0.601615 0.310607 6.02692e-16 413 63.546 7.4814e-05 -1.55189 63.546000 Cu 0.773901 0.293355 1 348 63.546 7.53832e-05 -1.55211 63.546000 Cu 0.808428 0.314976 0.5 351 63.546 8.55134e-05 -1.55231 63.546000 Cu 0.687747 0.301995 0.5 414 63.546 3.97569e-05 -1.55203 63.546000 Cu 0.894633 0.306296 5.97376e-17 349 63.546 5.19239e-05 -1.55211 63.546000 Cu 0.860134 0.284692 0.5 350 63.546 2.63929e-05 -1.55206 63.546000 Cu 0.980869 0.297627 0.5 355 63.546 4.55938e-05 -1.55191 63.546000 Cu 0.136196 0.332273 3.5741e-16 378 63.546 5.48061e-05 -1.55194 63.546000 Cu 0.0501541 0.34086 0.5 380 63.546 0.000169818 -1.55166 63.546000 Cu 0.170774 0.35397 0.5 403 63.546 0.000382877 -1.5522 63.546000 Cu 0.222243 0.323647 0.5 384 63.546 0.0001593 -1.5522 63.546000 Cu 0.256824 0.345285 7.59981e-16 405 63.546 0.000339219 -1.55245 63.546000 Cu 0.377778 0.358116 8.54247e-18 406 63.546 0.000341361 -1.55197 63.546000 Cu 0.343034 0.336569 0.5 407 63.546 9.51046e-05 -1.55233 63.546000 Cu 0.429305 0.327871 1 409 63.546 9.69066e-05 -1.55203 63.546000 Cu 0.464068 0.349451 0.5 412 63.546 0.000493263 -1.55169 63.546000 Cu 0.550154 0.34086 1 410 63.546 0.000169818 -1.55166 63.546000 Cu 0.636196 0.332273 0.5 415 63.546 5.48061e-05 -1.55194 63.546000 Cu 0.670774 0.35397 1 438 63.546 0.000382877 -1.5522 63.546000 Cu 0.722243 0.323647 4.71329e-17 347 63.546 0.0001593 -1.5522 63.546000 Cu 0.756824 0.345285 0.5 371 63.546 0.000339219 -1.55245 63.546000 Cu 0.843034 0.336569 1 373 63.546 9.51046e-05 -1.55233 63.546000 Cu 0.964068 0.349451 1.33394e-16 374 63.546 0.000493263 -1.55169 63.546000 Cu 0.929305 0.327871 0.5 375 63.546 9.69066e-05 -1.55203 63.546000 Cu 0.877778 0.358116 0.5 376 63.546 0.000341361 -1.55197 63.546000 Cu 0.033629 0.39283 9.6058e-17 398 63.546 0.00110108 -1.55094 63.546000 Cu 0.0848232 0.362558 1 401 63.546 0.00018842 -1.55173 63.546000 Cu 0.119348 0.384339 0.5 404 63.546 0.00123143 -1.55225 63.546000 Cu 0.20531 0.375663 5.68343e-16 402 63.546 0.00150001 -1.55295 63.546000 Cu 0.291537 0.366884 0.5 408 63.546 0.000458254 -1.5526 63.546000 Cu 0.24001 0.397263 0.5 428 63.546 0.0028122 -1.55362 63.546000 Cu 0.326474 0.388374 2.74494e-16 430 63.546 0.000875705 -1.5516 63.546000 Cu 0.41281 0.379643 0.5 432 63.546 0.00185351 -1.55125 63.546000 Cu 0.498836 0.371084 1 434 63.546 0.000834785 -1.55116 63.546000 Cu 0.619348 0.384339 2.47313e-17 435 63.546 0.00123143 -1.55225 63.546000 Cu 0.584823 0.362558 0.5 436 63.546 0.00018842 -1.55173 63.546000 Cu 0.533629 0.39283 0.5 437 63.546 0.00110108 -1.55094 63.546000 Cu 0.791537 0.366884 5.96181e-16 370 63.546 0.000458254 -1.5526 63.546000 Cu 0.70531 0.375663 0.5 372 63.546 0.00150001 -1.55295 63.546000 Cu 0.74001 0.397263 9.7432e-17 393 63.546 0.0028122 -1.55362 63.546000 Cu 0.826474 0.388374 0.5 395 63.546 0.000875705 -1.5516 63.546000 Cu 0.91281 0.379643 1 397 63.546 0.00185351 -1.55125 63.546000 Cu 0.998836 0.371084 0.5 399 63.546 0.000834785 -1.55116 63.546000 Cu 0.101948 0.436879 1 423 63.546 0.0344129 -1.55189 63.546000 Cu 0.0680724 0.414797 0.5 424 63.546 0.00510048 -1.55027 63.546000 Cu 0.153693 0.406135 3.02392e-16 426 63.546 0.00694297 -1.55377 63.546000 Cu 0.275162 0.418599 4.71329e-17 427 63.546 0.00506571 -1.55124 63.546000 Cu 0.188014 0.427732 0.5 429 63.546 0.0188941 -1.55466 63.546000 Cu 0.311237 0.439587 0.5 450 63.546 0.0493821 -1.55259 63.546000 Cu 0.447836 0.401279 2.75151e-16 431 63.546 0.00312105 -1.5499 63.546000 Cu 0.361916 0.409769 0.5 433 63.546 0.0076427 -1.55011 63.546000 Cu 0.397344 0.431461 4.71329e-17 452 63.546 0.0125032 -1.54806 63.546000 Cu 0.482844 0.423047 0.5 454 63.546 0.00908016 -1.5483 63.546000 Cu 0.568072 0.414797 1.62606e-16 456 63.546 0.00510048 -1.55027 63.546000 Cu 0.653693 0.406135 0.5 458 63.546 0.00694297 -1.55377 63.546000 Cu 0.601948 0.436879 0.5 459 63.546 0.0344129 -1.55189 63.546000 Cu 0.775162 0.418599 0.5 396 63.546 0.00506571 -1.55124 63.546000 Cu 0.811237 0.439587 7.61654e-17 418 63.546 0.0493821 -1.55259 63.546000 Cu 0.688014 0.427732 1.73e-16 457 63.546 0.0188941 -1.55466 63.546000 Cu 0.861916 0.409769 1.50001e-16 394 63.546 0.0076427 -1.55011 63.546000 Cu 0.947836 0.401279 0.5 400 63.546 0.00312105 -1.5499 63.546000 Cu 0.897344 0.431461 0.5 420 63.546 0.0125032 -1.54806 63.546000 Cu 0.982844 0.423047 3.55916e-16 422 63.546 0.00908016 -1.5483 63.546000 Cu 0.0174927 0.445437 0.5 425 63.546 0.0148429 -1.54288 63.546000 Cu 0.0525878 0.468162 6.02155e-16 444 63.546 0.394321 -1.52329 63.546000 Cu 0.136196 0.458885 0.5 446 63.546 0.255607 -1.52958 63.546000 Cu 0.170829 0.479281 6.53117e-15 445 63.546 1.86326 -1.49894 63.546000 Cu 0.222694 0.448773 2.66071e-16 448 63.546 0.0432551 -1.53854 63.546000 Cu 0.261492 0.468826 0.5 451 63.546 0.850766 -1.48622 63.546000 Cu 0.46607 0.475912 2.24852e-16 224 63.546 1.94106 -1.48283 63.546000 Cu 0.344975 0.461363 5.46061e-16 449 63.546 0.266424 -1.53105 63.546000 Cu 0.433197 0.453075 0.5 455 63.546 0.10309 -1.5501 63.546000 Cu 0.636196 0.458885 6.3041e-16 4 63.546 0.255607 -1.52958 63.546000 Cu 0.552588 0.468162 0.5 19 63.546 0.394321 -1.52329 63.546000 Cu 0.517493 0.445437 1 453 63.546 0.0148429 -1.54288 63.546000 Cu 0.670829 0.479281 0.5 2 63.546 1.86326 -1.49894 63.546000 Cu 0.761492 0.468826 9.81488e-17 416 63.546 0.850766 -1.48622 63.546000 Cu 0.722694 0.448773 0.5 417 63.546 0.0432551 -1.53854 63.546000 Cu 0.933197 0.453075 7.08726e-16 419 63.546 0.10309 -1.5501 63.546000 Cu 0.844975 0.461363 0.5 421 63.546 0.266424 -1.53105 63.546000 Cu 0.96607 0.475912 0.5 443 63.546 1.94106 -1.48283 63.546000 Cu 0.0861633 0.494384 0.5 447 63.546 9.32895 -1.33567 63.546000 Cu 0.171711 0.512533 6.18803e-15 1 63.546 2.46999 -1.48 63.546000 Cu 0.3005 0.495927 2.64524e-15 232 63.546 8.46004 -1.3805 63.546000 Cu 0.214073 0.495922 0.5 460 63.546 11.2528 -1.09813 63.546000 Cu 0.494504 0.495794 0.5 6 63.546 9.52631 -1.2647 63.546000 Cu 0.379349 0.510645 0.5 21 63.546 9.31036 -1.33288 63.546000 Cu 0.46831 0.51573 1 22 63.546 1.98277 -1.47106 63.546000 Cu 0.377371 0.480951 0.5 226 63.546 9.32684 -1.3275 63.546000 Cu 0.586163 0.494384 1 222 63.546 9.32895 -1.33567 63.546000 Cu 0.671711 0.512533 0.5 7 63.546 2.46999 -1.48 63.546000 Cu 0.714073 0.495922 4.43731e-16 439 63.546 11.2528 -1.09813 63.546000 Cu 0.8005 0.495927 0.5 440 63.546 8.46004 -1.3805 63.546000 Cu 0.879349 0.510645 1 8 63.546 9.31036 -1.33288 63.546000 Cu 0.96831 0.51573 0.5 10 63.546 1.98277 -1.47106 63.546000 Cu 0.877371 0.480951 6.17089e-17 441 63.546 9.32684 -1.3275 63.546000 Cu 0.994504 0.495794 5.93732e-16 442 63.546 9.52631 -1.2647 63.546000 Cu 0.0548325 0.523285 4.74495e-16 12 63.546 0.787406 -1.48461 63.546000 Cu 0.104918 0.554706 1.82857e-16 13 63.546 0.0450303 -1.552 63.546000 Cu 0.139433 0.533246 0.5 14 63.546 0.466735 -1.50088 63.546000 Cu 0.0204346 0.546123 0.5 15 63.546 0.0217966 -1.54281 63.546000 Cu 0.263667 0.522761 0.5 3 63.546 0.78138 -1.49075 63.546000 Cu 0.225609 0.542846 4.917e-16 16 63.546 0.037446 -1.53768 63.546000 Cu 0.31445 0.552001 0.5 42 63.546 0.0478072 -1.55395 63.546000 Cu 0.347494 0.530254 4.86025e-16 20 63.546 0.239976 -1.53086 63.546000 Cu 0.436059 0.538464 0.5 25 63.546 0.104378 -1.55112 63.546000 Cu 0.520435 0.546123 8.85311e-17 23 63.546 0.0217966 -1.54281 63.546000 Cu 0.554832 0.523285 0.5 24 63.546 0.787406 -1.48461 63.546000 Cu 0.639433 0.533246 1 26 63.546 0.466735 -1.50088 63.546000 Cu 0.604918 0.554706 0.5 29 63.546 0.0450303 -1.552 63.546000 Cu 0.763667 0.522761 2.59082e-16 5 63.546 0.78138 -1.49075 63.546000 Cu 0.725609 0.542846 0.5 28 63.546 0.037446 -1.53768 63.546000 Cu 0.81445 0.552001 7.8764e-16 30 63.546 0.0478072 -1.55395 63.546000 Cu 0.936059 0.538464 2.81842e-16 9 63.546 0.104378 -1.55112 63.546000 Cu 0.847494 0.530254 0.5 11 63.546 0.239976 -1.53086 63.546000 Cu 0.0376873 0.598717 4.71329e-17 35 63.546 0.000805341 -1.55104 63.546000 Cu 0.0717059 0.57678 0.5 36 63.546 0.00620357 -1.55104 63.546000 Cu 0.157561 0.585453 5.96181e-16 38 63.546 0.00742184 -1.55351 63.546000 Cu 0.278895 0.573011 2.3895e-17 17 63.546 0.00468556 -1.55108 63.546000 Cu 0.191606 0.563961 0.5 18 63.546 0.0110892 -1.55438 63.546000 Cu 0.244122 0.594338 0.5 40 63.546 0.0020052 -1.5533 63.546000 Cu 0.400648 0.560124 8.07054e-17 43 63.546 0.0123846 -1.54847 63.546000 Cu 0.451819 0.590288 2.6171e-16 44 63.546 0.00311609 -1.54998 63.546000 Cu 0.486321 0.568503 0.5 45 63.546 0.00817219 -1.54828 63.546000 Cu 0.365812 0.58181 0.5 46 63.546 0.00775422 -1.55025 63.546000 Cu 0.571706 0.57678 1 47 63.546 0.00620357 -1.55104 63.546000 Cu 0.657561 0.585453 0.5 49 63.546 0.00742184 -1.55351 63.546000 Cu 0.537687 0.598717 0.5 50 63.546 0.000805341 -1.55104 63.546000 Cu 0.691606 0.563961 1 27 63.546 0.0110892 -1.55438 63.546000 Cu 0.778895 0.573011 0.5 33 63.546 0.00468556 -1.55108 63.546000 Cu 0.744122 0.594338 1 51 63.546 0.0020052 -1.5533 63.546000 Cu 0.865812 0.58181 3.62965e-16 31 63.546 0.00775422 -1.55025 63.546000 Cu 0.900648 0.560124 0.5 32 63.546 0.0123846 -1.54847 63.546000 Cu 0.986321 0.568503 4.71329e-17 34 63.546 0.00817219 -1.54828 63.546000 Cu 0.951819 0.590288 0.5 37 63.546 0.00311609 -1.54998 63.546000 Cu 0.123559 0.607204 0.5 41 63.546 0.00159159 -1.55239 63.546000 Cu 0.00329672 0.620465 0.5 57 63.546 0.000923417 -1.55115 63.546000 Cu 0.0892669 0.62898 1 59 63.546 0.000168945 -1.55173 63.546000 Cu 0.209635 0.615886 1 39 63.546 0.00171481 -1.55281 63.546000 Cu 0.175288 0.637559 0.5 61 63.546 0.000556162 -1.55227 63.546000 Cu 0.296008 0.624673 0.5 68 63.546 0.000351875 -1.55248 63.546000 Cu 0.33071 0.603205 1 65 63.546 0.000855133 -1.55152 63.546000 Cu 0.38241 0.633434 1 66 63.546 0.00032801 -1.55184 63.546000 Cu 0.417163 0.611916 0.5 67 63.546 0.00195193 -1.55124 63.546000 Cu 0.623559 0.607204 1 48 63.546 0.00159159 -1.55239 63.546000 Cu 0.503297 0.620465 1 69 63.546 0.000923417 -1.55115 63.546000 Cu 0.589267 0.62898 0.5 71 63.546 0.000168945 -1.55173 63.546000 Cu 0.796008 0.624673 1.04839e-16 52 63.546 0.000351875 -1.55248 63.546000 Cu 0.709635 0.615886 0.5 54 63.546 0.00171481 -1.55281 63.546000 Cu 0.675288 0.637559 1 73 63.546 0.000556162 -1.55227 63.546000 Cu 0.83071 0.603205 0.5 53 63.546 0.000855133 -1.55152 63.546000 Cu 0.917163 0.611916 1 55 63.546 0.00195193 -1.55124 63.546000 Cu 0.88241 0.633434 0.5 58 63.546 0.00032801 -1.55184 63.546000 Cu 0.140821 0.659261 1.51733e-16 60 63.546 0.000162475 -1.55196 63.546000 Cu 0.0547823 0.650685 0.5 62 63.546 0.000310934 -1.55167 63.546000 Cu 0.0200154 0.672324 5.48092e-16 81 63.546 0.000169063 -1.55193 63.546000 Cu 0.261458 0.64624 3.99047e-16 63 63.546 0.000499903 -1.55245 63.546000 Cu 0.226795 0.667883 0.5 64 63.546 0.000243982 -1.55226 63.546000 Cu 0.312876 0.676567 1.18161e-16 89 63.546 0.000114874 -1.55232 63.546000 Cu 0.468661 0.642098 0.5 72 63.546 0.000561106 -1.55157 63.546000 Cu 0.347663 0.654976 0.5 90 63.546 9.69413e-05 -1.5523 63.546000 Cu 0.433875 0.663681 3.42475e-16 91 63.546 0.000151934 -1.55205 63.546000 Cu 0.554782 0.650685 1.17564e-16 70 63.546 0.000310934 -1.55167 63.546000 Cu 0.640821 0.659261 0.5 76 63.546 0.000162475 -1.55196 63.546000 Cu 0.520015 0.672324 0.5 93 63.546 0.000169063 -1.55193 63.546000 Cu 0.726795 0.667883 1 74 63.546 0.000243982 -1.55226 63.546000 Cu 0.761458 0.64624 0.5 75 63.546 0.000499903 -1.55245 63.546000 Cu 0.812876 0.676567 0.5 80 63.546 0.000114874 -1.55232 63.546000 Cu 0.968661 0.642098 1.04123e-16 56 63.546 0.000561106 -1.55157 63.546000 Cu 0.847663 0.654976 1 77 63.546 9.69413e-05 -1.5523 63.546000 Cu 0.933875 0.663681 0.5 79 63.546 0.000151934 -1.55205 63.546000 Cu 0.0711782 0.702586 1 82 63.546 6.86546e-05 -1.55204 63.546000 Cu 0.106071 0.680939 0.5 83 63.546 7.61648e-05 -1.55196 63.546000 Cu 0.157228 0.711215 0.5 88 63.546 2.87569e-05 -1.55205 63.546000 Cu 0.192046 0.689555 1 85 63.546 2.36272e-05 -1.55209 63.546000 Cu 0.243212 0.719839 7.49109e-17 86 63.546 2.56702e-05 -1.55209 63.546000 Cu 0.278049 0.698188 0.5 87 63.546 8.98682e-05 -1.55221 63.546000 Cu 0.485141 0.693942 8.36923e-17 92 63.546 0.000101868 -1.55211 63.546000 Cu 0.398991 0.685258 0.5 94 63.546 1.37946e-05 -1.55224 63.546000 Cu 0.364091 0.706852 1 112 63.546 6.91991e-05 -1.55219 63.546000 Cu 0.450199 0.715532 0.5 114 63.546 1.18128e-05 -1.55208 63.546000 Cu 0.606071 0.680939 1 95 63.546 7.61648e-05 -1.55196 63.546000 Cu 0.657228 0.711215 1 96 63.546 2.87569e-05 -1.55205 63.546000 Cu 0.571178 0.702586 0.5 98 63.546 6.86546e-05 -1.55204 63.546000 Cu 0.692046 0.689555 0.5 97 63.546 2.36272e-05 -1.55209 63.546000 Cu 0.778049 0.698188 3.12368e-16 99 63.546 8.98682e-05 -1.55221 63.546000 Cu 0.743212 0.719839 0.5 102 63.546 2.56702e-05 -1.55209 63.546000 Cu 0.898991 0.685258 1 78 63.546 1.37946e-05 -1.55224 63.546000 Cu 0.985141 0.693942 0.5 84 63.546 0.000101868 -1.55211 63.546000 Cu 0.864091 0.706852 0.5 101 63.546 6.91991e-05 -1.55219 63.546000 Cu 0.950199 0.715532 1 103 63.546 1.18128e-05 -1.55208 63.546000 Cu 0.00150031 0.745788 1.18579e-16 104 63.546 2.05918e-05 -1.55209 63.546000 Cu 0.0363202 0.724201 0.5 105 63.546 4.82749e-05 -1.55201 63.546000 Cu 0.122428 0.73285 1 107 63.546 6.61485e-05 -1.55196 63.546000 Cu 0.0875794 0.75445 0.5 110 63.546 1.72164e-05 -1.5521 63.546000 Cu 0.208463 0.741481 0.5 109 63.546 2.0642e-05 -1.55199 63.546000 Cu 0.294505 0.750113 1 135 63.546 7.76923e-06 -1.55213 63.546000 Cu 0.329261 0.728473 0.5 115 63.546 4.72044e-05 -1.5521 63.546000 Cu 0.415327 0.737119 9.26529e-17 113 63.546 8.30002e-05 -1.5521 63.546000 Cu 0.380543 0.758742 0.5 137 63.546 1.99121e-05 -1.55221 63.546000 Cu 0.53632 0.724201 1 116 63.546 4.82749e-05 -1.55201 63.546000 Cu 0.587579 0.75445 1 117 63.546 1.72164e-05 -1.5521 63.546000 Cu 0.622428 0.73285 0.5 118 63.546 6.61485e-05 -1.55196 63.546000 Cu 0.5015 0.745788 0.5 119 63.546 2.05918e-05 -1.55209 63.546000 Cu 0.708463 0.741481 2.51376e-16 120 63.546 2.0642e-05 -1.55199 63.546000 Cu 0.794505 0.750113 0.5 122 63.546 7.76923e-06 -1.55213 63.546000 Cu 0.829261 0.728473 4.71329e-17 100 63.546 4.72044e-05 -1.5521 63.546000 Cu 0.915327 0.737119 0.5 106 63.546 8.30002e-05 -1.5521 63.546000 Cu 0.880543 0.758742 1 124 63.546 1.99121e-05 -1.55221 63.546000 Cu 0.0526785 0.776038 6.61295e-17 128 63.546 0.000127554 -1.55227 63.546000 Cu 0.138817 0.784707 0.5 130 63.546 0.000219797 -1.55227 63.546000 Cu 0.0180178 0.797619 0.5 131 63.546 0.000187556 -1.55197 63.546000 Cu 0.173651 0.763103 1 108 63.546 3.73739e-05 -1.55216 63.546000 Cu 0.259673 0.771741 0.5 111 63.546 4.98076e-05 -1.55218 63.546000 Cu 0.224974 0.793362 1 132 63.546 0.000242863 -1.55214 63.546000 Cu 0.34576 0.780375 1 136 63.546 8.34481e-05 -1.55206 63.546000 Cu 0.4666 0.767381 1.33513e-16 138 63.546 6.04224e-05 -1.55223 63.546000 Cu 0.431815 0.788989 0.5 141 63.546 0.000240718 -1.55193 63.546000 Cu 0.518018 0.797619 1 139 63.546 0.000187556 -1.55197 63.546000 Cu 0.552679 0.776038 0.5 140 63.546 0.000127554 -1.55227 63.546000 Cu 0.638817 0.784707 2.47313e-17 142 63.546 0.000219797 -1.55227 63.546000 Cu 0.759673 0.771741 1.09977e-16 121 63.546 4.98076e-05 -1.55218 63.546000 Cu 0.673651 0.763103 0.5 123 63.546 3.73739e-05 -1.55216 63.546000 Cu 0.724974 0.793362 0.5 144 63.546 0.000242863 -1.55214 63.546000 Cu 0.931815 0.788989 1.12008e-16 125 63.546 0.000240718 -1.55193 63.546000 Cu 0.9666 0.767381 0.5 126 63.546 6.04224e-05 -1.55223 63.546000 Cu 0.84576 0.780375 0.5 127 63.546 8.34481e-05 -1.55206 63.546000 Cu 0.104294 0.806287 3.02272e-16 129 63.546 8.97629e-05 -1.55204 63.546000 Cu 0.0699053 0.827833 0.5 152 63.546 0.000139388 -1.55184 63.546000 Cu 0.156281 0.836541 8.96063e-19 154 63.546 0.000152427 -1.55228 63.546000 Cu 0.276857 0.823631 1 133 63.546 0.000167626 -1.55215 63.546000 Cu 0.19061 0.814976 0.5 134 63.546 0.000183185 -1.55221 63.546000 Cu 0.311144 0.801992 0.5 158 63.546 0.000174381 -1.55189 63.546000 Cu 0.397344 0.810594 2.73479e-16 159 63.546 8.89641e-05 -1.55164 63.546000 Cu 0.483611 0.819193 0.5 161 63.546 0.00013055 -1.55158 63.546000 Cu 0.363026 0.832224 0.5 162 63.546 0.000109854 -1.5518 63.546000 Cu 0.604294 0.806287 0.5 145 63.546 8.97629e-05 -1.55204 63.546000 Cu 0.569905 0.827833 3.57589e-16 163 63.546 0.000139388 -1.55184 63.546000 Cu 0.656281 0.836541 0.5 165 63.546 0.000152427 -1.55228 63.546000 Cu 0.69061 0.814976 2.08962e-16 143 63.546 0.000183185 -1.55221 63.546000 Cu 0.811144 0.801992 1 146 63.546 0.000174381 -1.55189 63.546000 Cu 0.776857 0.823631 0.5 149 63.546 0.000167626 -1.55215 63.546000 Cu 0.863026 0.832224 1 147 63.546 0.000109854 -1.5518 63.546000 Cu 0.897344 0.810594 0.5 148 63.546 8.89641e-05 -1.55164 63.546000 Cu 0.983611 0.819193 0 150 63.546 0.00013055 -1.55158 63.546000 Cu 0.0353602 0.849377 4.70075e-16 151 63.546 0.000644993 -1.55153 63.546000 Cu 0.121777 0.858044 0.5 157 63.546 0.000337848 -1.55188 63.546000 Cu 0.000819943 0.870977 0.5 173 63.546 0.00146579 -1.55105 63.546000 Cu 0.0870074 0.879521 4.37637e-16 175 63.546 0.00261129 -1.55114 63.546000 Cu 0.208268 0.866813 0 155 63.546 0.00072848 -1.55256 63.546000 Cu 0.242661 0.845257 0.5 156 63.546 0.000674998 -1.55248 63.546000 Cu 0.294598 0.875619 0.5 184 63.546 0.00245925 -1.55284 63.546000 Cu 0.328825 0.853923 9.0144e-17 181 63.546 0.000596986 -1.5522 63.546000 Cu 0.449143 0.840788 1 160 63.546 0.000434584 -1.5515 63.546000 Cu 0.414778 0.862484 0.5 183 63.546 0.000296259 -1.55167 63.546000 Cu 0.621777 0.858044 1.19236e-16 164 63.546 0.000337848 -1.55188 63.546000 Cu 0.53536 0.849377 0.5 166 63.546 0.000644993 -1.55153 63.546000 Cu 0.50082 0.870977 1 185 63.546 0.00146579 -1.55105 63.546000 Cu 0.587007 0.879521 0.5 187 63.546 0.00261129 -1.55114 63.546000 Cu 0.742661 0.845257 1 167 63.546 0.000674998 -1.55248 63.546000 Cu 0.794598 0.875619 1 168 63.546 0.00245925 -1.55284 63.546000 Cu 0.708268 0.866813 0.5 170 63.546 0.00072848 -1.55256 63.546000 Cu 0.828825 0.853923 0.5 169 63.546 0.000596986 -1.5522 63.546000 Cu 0.949143 0.840788 0.5 153 63.546 0.000434584 -1.5515 63.546000 Cu 0.914778 0.862484 3.02033e-16 171 63.546 0.000296259 -1.55167 63.546000 Cu 0.138119 0.909613 5.13922e-16 176 63.546 0.00944746 -1.55008 63.546000 Cu 0.0521353 0.901132 0.5 178 63.546 0.00468937 -1.54979 63.546000 Cu 0.173494 0.888264 0.5 177 63.546 0.00110292 -1.55149 63.546000 Cu 0.26012 0.897174 5.97376e-19 179 63.546 0.0033741 -1.5535 63.546000 Cu 0.22502 0.918465 0.5 180 63.546 0.00536807 -1.55113 63.546000 Cu 0.380633 0.88428 4.74436e-16 182 63.546 0.00174626 -1.55225 63.546000 Cu 0.466371 0.892732 0.5 188 63.546 0.00133057 -1.55087 63.546000 Cu 0.346524 0.906068 0.5 206 63.546 0.00876473 -1.5538 63.546000 Cu 0.432157 0.914729 1.58902e-16 207 63.546 0.00663502 -1.55017 63.546000 Cu 0.552135 0.901132 1.03645e-16 186 63.546 0.00468937 -1.54979 63.546000 Cu 0.638119 0.909613 0.5 192 63.546 0.00944746 -1.55008 63.546000 Cu 0.673494 0.888264 1.1607e-16 189 63.546 0.00110292 -1.55149 63.546000 Cu 0.72502 0.918465 1 190 63.546 0.00536807 -1.55113 63.546000 Cu 0.76012 0.897174 0.5 191 63.546 0.0033741 -1.5535 63.546000 Cu 0.966371 0.892732 5.1434e-17 172 63.546 0.00133057 -1.55087 63.546000 Cu 0.880633 0.88428 0.5 174 63.546 0.00174626 -1.55225 63.546000 Cu 0.846524 0.906068 1 193 63.546 0.00876473 -1.5538 63.546000 Cu 0.932157 0.914729 0.5 195 63.546 0.00663502 -1.55017 63.546000 Cu 0.0172644 0.922923 1.61889e-17 197 63.546 0.00985728 -1.54816 63.546000 Cu 0.0669726 0.952937 3.50361e-16 198 63.546 0.104229 -1.54991 63.546000 Cu 0.102743 0.931297 0.5 199 63.546 0.0144594 -1.5481 63.546000 Cu 0.188854 0.939405 6.86385e-17 201 63.546 0.055429 -1.55228 63.546000 Cu 0.277501 0.948617 0.5 203 63.546 0.0451778 -1.53796 63.546000 Cu 0.312251 0.927624 1 205 63.546 0.0203391 -1.55467 63.546000 Cu 0.482744 0.945362 2.37636e-16 208 63.546 0.0167544 -1.54266 63.546000 Cu 0.398321 0.936806 0.5 210 63.546 0.0389482 -1.55187 63.546000 Cu 0.363998 0.958769 1 225 63.546 0.261398 -1.52935 63.546000 Cu 0.517264 0.922923 0.5 209 63.546 0.00985728 -1.54816 63.546000 Cu 0.602743 0.931297 1.44206e-16 211 63.546 0.0144594 -1.5481 63.546000 Cu 0.566973 0.952937 0.5 214 63.546 0.104229 -1.54991 63.546000 Cu 0.812251 0.927624 0.5 196 63.546 0.0203391 -1.55467 63.546000 Cu 0.688854 0.939405 0.5 213 63.546 0.055429 -1.55228 63.546000 Cu 0.777501 0.948617 1 215 63.546 0.0451778 -1.53796 63.546000 Cu 0.898321 0.936806 1 194 63.546 0.0389482 -1.55187 63.546000 Cu 0.982744 0.945362 0.5 200 63.546 0.0167544 -1.54266 63.546000 Cu 0.863998 0.958769 0.5 217 63.546 0.261398 -1.52935 63.546000 Cu 0.15524 0.961174 0.5 204 63.546 0.276411 -1.53089 63.546000 Cu 0.00539805 0.995643 1 220 63.546 9.52004 -1.26354 63.546000 Cu 0.0342367 0.975796 0.5 221 63.546 1.9736 -1.48293 63.546000 Cu 0.122886 0.98077 1 223 63.546 9.33515 -1.32602 63.546000 Cu 0.199284 0.995781 0.5 250 63.546 8.42451 -1.38082 63.546000 Cu 0.238616 0.968598 1 202 63.546 0.891448 -1.48476 63.546000 Cu 0.285694 0.99576 1 234 63.546 11.2031 -1.09873 63.546000 Cu 0.329199 0.979138 0.5 228 63.546 1.87774 -1.49873 63.546000 Cu 0.41368 0.994283 1 252 63.546 9.37448 -1.33645 63.546000 Cu 0.447502 0.968043 0.5 227 63.546 0.402194 -1.52294 63.546000 Cu 0.65524 0.961174 1 212 63.546 0.276411 -1.53089 63.546000 Cu 0.534237 0.975796 1 229 63.546 1.9736 -1.48293 63.546000 Cu 0.622886 0.98077 0.5 230 63.546 9.33515 -1.32602 63.546000 Cu 0.505398 0.995643 0.5 231 63.546 9.52004 -1.26354 63.546000 Cu 0.699284 0.995781 1 235 63.546 8.42451 -1.38082 63.546000 Cu 0.738616 0.968598 0.5 218 63.546 0.891448 -1.48476 63.546000 Cu 0.785694 0.99576 0.5 233 63.546 11.2031 -1.09873 63.546000 Cu 0.829199 0.979138 1 216 63.546 1.87774 -1.49873 63.546000 Cu 0.91368 0.994283 0.5 238 63.546 9.37448 -1.33645 63.546000 Cu 0.947502 0.968043 1 219 63.546 0.402194 -1.52294