Number of particles = 396 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.1954 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 72.789 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.62395 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 0.13125 0.0206659 1 232 63.546 0.456658 -3.25191 63.546000 Cu 0.0656807 0.00244962 0.5 233 63.546 0.489628 -3.27281 63.546000 Cu 0.0504238 0.0382545 0.5 234 63.546 0.0368234 -3.27273 63.546000 Cu 0.213046 0.00247508 0.5 235 63.546 4.7778 -3.23962 63.546000 Cu 0.109977 0.0572301 1.64906e-16 253 63.546 0.125702 -3.27328 63.546000 Cu 0.247491 0.0636189 1.62992e-16 254 63.546 0.04216 -3.26445 63.546000 Cu 0.190331 0.0410902 0.5 255 63.546 0.414792 -3.25135 63.546000 Cu 0.267341 0.0275562 5.16978e-17 257 63.546 5.80352 -3.10395 63.546000 Cu 0.325989 0.0509034 0.5 260 63.546 0.366568 -3.25895 63.546000 Cu 0.422259 0.00248303 6.29469e-17 203 63.546 3.79052 -3.2069 63.546000 Cu 0.565681 0.00244962 6.62976e-17 204 63.546 0.489628 -3.27281 63.546000 Cu 0.489432 0.0200407 0.5 205 63.546 0.210397 -3.27797 63.546000 Cu 0.468617 0.0550293 0.5 207 63.546 0.0325556 -3.27741 63.546000 Cu 0.550424 0.0382545 5.86387e-17 209 63.546 0.0368234 -3.27273 63.546000 Cu 0.63125 0.0206659 0.5 211 63.546 0.456658 -3.25191 63.546000 Cu 0.609977 0.0572301 0.5 212 63.546 0.125702 -3.27328 63.546000 Cu 0.40833 0.0366587 8.28122e-17 258 63.546 0.374699 -3.27437 63.546000 Cu 0.347132 0.0182541 0.5 259 63.546 7.347 -3.00182 63.546000 Cu 0.989432 0.0200407 1.07943e-16 231 63.546 0.210397 -3.27797 63.546000 Cu 0.690331 0.0410902 3.32685e-17 210 63.546 0.414792 -3.25135 63.546000 Cu 0.713046 0.00247508 0 213 63.546 4.7778 -3.23962 63.546000 Cu 0.847132 0.0182541 5.98354e-18 214 63.546 7.347 -3.00182 63.546000 Cu 0.767341 0.0275562 0.5 215 63.546 5.80352 -3.10395 63.546000 Cu 0.922259 0.00248303 0.5 216 63.546 3.79052 -3.2069 63.546000 Cu 0.747491 0.0636189 0.5 225 63.546 0.04216 -3.26445 63.546000 Cu 0.825989 0.0509034 0 227 63.546 0.366568 -3.25895 63.546000 Cu 0.968617 0.0550293 2.28332e-16 228 63.546 0.0325556 -3.27741 63.546000 Cu 0.90833 0.0366587 0.5 229 63.546 0.374699 -3.27437 63.546000 Cu 0.0894048 0.0932673 1.24697e-16 250 63.546 0.0502457 -3.28155 63.546000 Cu 0.0292238 0.0738523 0.5 251 63.546 0.0112333 -3.27909 63.546000 Cu 0.00901852 0.109245 0.5 252 63.546 0.00485235 -3.28141 63.546000 Cu 0.169125 0.0776968 0.5 256 63.546 0.109553 -3.27967 63.546000 Cu 0.0692363 0.128915 1 277 63.546 0.0170822 -3.28375 63.546000 Cu 0.148876 0.113617 0.5 279 63.546 0.0303416 -3.28292 63.546000 Cu 0.228078 0.0991261 0 281 63.546 0.0097628 -3.27831 63.546000 Cu 0.307381 0.085207 0.5 283 63.546 0.0676757 -3.27651 63.546000 Cu 0.28809 0.119946 0.5 284 63.546 0.0158152 -3.28023 63.546000 Cu 0.529224 0.0738523 0 206 63.546 0.0112333 -3.27909 63.546000 Cu 0.44859 0.0900238 0.5 208 63.546 0.0208987 -3.27858 63.546000 Cu 0.428726 0.124932 0.5 218 63.546 0.00846152 -3.28112 63.546000 Cu 0.509019 0.109245 7.18025e-17 219 63.546 0.00485235 -3.28141 63.546000 Cu 0.648876 0.113617 8.40089e-17 220 63.546 0.0303416 -3.28292 63.546000 Cu 0.589405 0.0932673 0.5 221 63.546 0.0502457 -3.28155 63.546000 Cu 0.569236 0.128915 0.5 222 63.546 0.0170822 -3.28375 63.546000 Cu 0.368091 0.105352 0 282 63.546 0.0387385 -3.27995 63.546000 Cu 0.38779 0.0708668 3.06357e-17 285 63.546 0.128746 -3.27857 63.546000 Cu 0.669125 0.0776968 1 223 63.546 0.109553 -3.27967 63.546000 Cu 0.807381 0.085207 1.60359e-17 224 63.546 0.0676757 -3.27651 63.546000 Cu 0.728078 0.0991261 0.5 226 63.546 0.0097628 -3.27831 63.546000 Cu 0.88779 0.0708668 0.5 230 63.546 0.128746 -3.27857 63.546000 Cu 0.78809 0.119946 0 245 63.546 0.0158152 -3.28023 63.546000 Cu 0.928726 0.124932 0 246 63.546 0.00846152 -3.28112 63.546000 Cu 0.868091 0.105352 0.5 247 63.546 0.0387385 -3.27995 63.546000 Cu 0.94859 0.0900238 5.16978e-17 249 63.546 0.0208987 -3.27858 63.546000 Cu 0.049756 0.16434 1.45041e-16 274 63.546 0.00514969 -3.28387 63.546000 Cu 0.208593 0.134393 2.93672e-16 278 63.546 0.00287235 -3.28159 63.546000 Cu 0.129257 0.14916 0.5 280 63.546 0.00813571 -3.28359 63.546000 Cu 0.110052 0.184495 0.5 303 63.546 0.00253456 -3.28346 63.546000 Cu 0.189475 0.169593 5.26552e-18 305 63.546 0.000776804 -3.2825 63.546000 Cu 0.268946 0.154858 0.5 307 63.546 0.00382961 -3.28162 63.546000 Cu 0.249952 0.189868 0.5 308 63.546 0.00078554 -3.28229 63.546000 Cu 0.32961 0.174982 7.22812e-17 306 63.546 0.00320518 -3.28208 63.546000 Cu 0.0304342 0.199639 5.02617e-18 301 63.546 0.00127296 -3.2836 63.546000 Cu 0.489273 0.14449 1.88362e-16 217 63.546 0.00179022 -3.28284 63.546000 Cu 0.469999 0.179697 2.40299e-16 237 63.546 0.000470929 -3.28315 63.546000 Cu 0.610052 0.184495 0 238 63.546 0.00253456 -3.28346 63.546000 Cu 0.549756 0.16434 0.5 239 63.546 0.00514969 -3.28387 63.546000 Cu 0.629257 0.14916 7.5632e-17 241 63.546 0.00813571 -3.28359 63.546000 Cu 0.348633 0.140089 1.53897e-16 309 63.546 0.0120638 -3.28122 63.546000 Cu 0.40939 0.159904 0.5 310 63.546 0.00322694 -3.28224 63.546000 Cu 0.390224 0.194941 0.5 334 63.546 0.00117064 -3.2827 63.546000 Cu 0.530434 0.199639 0.5 240 63.546 0.00127296 -3.2836 63.546000 Cu 0.989273 0.14449 0.5 275 63.546 0.00179022 -3.28284 63.546000 Cu 0.768946 0.154858 1.48871e-16 242 63.546 0.00382961 -3.28162 63.546000 Cu 0.708593 0.134393 0.5 243 63.546 0.00287235 -3.28159 63.546000 Cu 0.689475 0.169593 0.5 244 63.546 0.000776804 -3.2825 63.546000 Cu 0.848633 0.140089 0.5 248 63.546 0.0120638 -3.28122 63.546000 Cu 0.749952 0.189868 1.93627e-16 269 63.546 0.00078554 -3.28229 63.546000 Cu 0.890224 0.194941 1 270 63.546 0.00117064 -3.2827 63.546000 Cu 0.82961 0.174982 0.5 271 63.546 0.00320518 -3.28208 63.546000 Cu 0.90939 0.159904 2.8721e-18 273 63.546 0.00322694 -3.28224 63.546000 Cu 0.969999 0.179697 0.5 276 63.546 0.000470929 -3.28315 63.546000 Cu 0.0109984 0.234882 1 298 63.546 0.000139567 -3.28345 63.546000 Cu 0.170381 0.204742 1 302 63.546 0.000367645 -3.28281 63.546000 Cu 0.0907408 0.219738 0.5 304 63.546 0.000790005 -3.28338 63.546000 Cu 0.0712024 0.25494 0.5 327 63.546 0.000248598 -3.28326 63.546000 Cu 0.150994 0.239871 1 329 63.546 0.000324898 -3.28295 63.546000 Cu 0.291118 0.245032 1 330 63.546 0.00016937 -3.28258 63.546000 Cu 0.230762 0.224917 0.5 331 63.546 0.000104911 -3.28252 63.546000 Cu 0.211322 0.259972 0.5 332 63.546 0.000126373 -3.28261 63.546000 Cu 0.310452 0.209992 1 333 63.546 0.00103028 -3.28247 63.546000 Cu 0.450728 0.21487 1 236 63.546 0.000222347 -3.28322 63.546000 Cu 0.431223 0.25005 3.03964e-17 261 63.546 0.000218101 -3.28328 63.546000 Cu 0.571202 0.25494 3.32685e-17 262 63.546 0.000248598 -3.28326 63.546000 Cu 0.510998 0.234882 0.5 263 63.546 0.000139567 -3.28345 63.546000 Cu 0.590741 0.219738 2.39342e-19 265 63.546 0.000790005 -3.28338 63.546000 Cu 0.650994 0.239871 0.5 268 63.546 0.000324898 -3.28295 63.546000 Cu 0.3709 0.230024 0.5 335 63.546 0.000576984 -3.28286 63.546000 Cu 0.351428 0.265127 0.5 359 63.546 0.000397279 -3.2829 63.546000 Cu 0.730762 0.224917 1 266 63.546 0.000104911 -3.28252 63.546000 Cu 0.670381 0.204742 0.5 267 63.546 0.000367645 -3.28281 63.546000 Cu 0.810452 0.209992 0.5 272 63.546 0.00103028 -3.28247 63.546000 Cu 0.711322 0.259972 1 293 63.546 0.000126373 -3.28261 63.546000 Cu 0.851428 0.265127 1 294 63.546 0.000397279 -3.2829 63.546000 Cu 0.791118 0.245032 0.5 295 63.546 0.00016937 -3.28258 63.546000 Cu 0.8709 0.230024 1 297 63.546 0.000576984 -3.28286 63.546000 Cu 0.950728 0.21487 0.5 299 63.546 0.000222347 -3.28322 63.546000 Cu 0.931223 0.25005 0.5 300 63.546 0.000218101 -3.28328 63.546000 Cu 0.131483 0.274965 1 326 63.546 0.000638135 -3.28288 63.546000 Cu 0.0515172 0.29011 0.5 328 63.546 0.000221787 -3.28323 63.546000 Cu 0.0314318 0.325273 0.5 351 63.546 0.000501053 -3.28296 63.546000 Cu 0.111665 0.310029 0 353 63.546 0.00144314 -3.28261 63.546000 Cu 0.251751 0.315107 1 354 63.546 0.000827186 -3.28226 63.546000 Cu 0.191705 0.295002 0.5 355 63.546 0.00092519 -3.28246 63.546000 Cu 0.171662 0.329977 0.5 356 63.546 0.00335931 -3.28194 63.546000 Cu 0.271623 0.280076 1 357 63.546 0.000176505 -3.28255 63.546000 Cu 0.331683 0.300243 0.5 360 63.546 0.000433372 -3.28289 63.546000 Cu 0.491391 0.270109 0.5 264 63.546 0.00016384 -3.28346 63.546000 Cu 0.531432 0.325273 1.64188e-16 286 63.546 0.000501053 -3.28296 63.546000 Cu 0.471521 0.305341 0.5 287 63.546 0.00139605 -3.28359 63.546000 Cu 0.551517 0.29011 0 289 63.546 0.000221787 -3.28323 63.546000 Cu 0.631483 0.274965 0.5 291 63.546 0.000638135 -3.28288 63.546000 Cu 0.611665 0.310029 0.5 292 63.546 0.00144314 -3.28261 63.546000 Cu 0.411546 0.285245 1 358 63.546 0.000755966 -3.28337 63.546000 Cu 0.391521 0.320474 1.089e-16 383 63.546 0.00249377 -3.28353 63.546000 Cu 0.991391 0.270109 1 325 63.546 0.00016384 -3.28346 63.546000 Cu 0.691705 0.295002 1 290 63.546 0.00092519 -3.28246 63.546000 Cu 0.771623 0.280076 0.5 296 63.546 0.000176505 -3.28255 63.546000 Cu 0.671662 0.329977 7.18025e-19 317 63.546 0.00335931 -3.28194 63.546000 Cu 0.751751 0.315107 0.5 319 63.546 0.000827186 -3.28226 63.546000 Cu 0.831683 0.300243 1 321 63.546 0.000433372 -3.28289 63.546000 Cu 0.971521 0.305341 1 322 63.546 0.00139605 -3.28359 63.546000 Cu 0.911546 0.285245 0.5 323 63.546 0.000755966 -3.28337 63.546000 Cu 0.891521 0.320474 0.5 324 63.546 0.00249377 -3.28353 63.546000 Cu 0.0913454 0.345047 6.62976e-17 350 63.546 0.00329836 -3.28201 63.546000 Cu 0.0110119 0.360456 0.5 352 63.546 0.00191483 -3.28255 63.546000 Cu 0.071299 0.380008 4.35602e-17 375 63.546 0.00846377 -3.28114 63.546000 Cu 0.211936 0.384986 0 376 63.546 0.0158593 -3.28029 63.546000 Cu 0.151546 0.364847 0.5 377 63.546 0.0122823 -3.28124 63.546000 Cu 0.231605 0.350088 2.89603e-17 379 63.546 0.00383864 -3.28169 63.546000 Cu 0.311551 0.335368 0.5 381 63.546 0.000752092 -3.28267 63.546000 Cu 0.291503 0.370541 0.5 382 63.546 0.00272614 -3.2817 63.546000 Cu 0.132007 0.399582 0.5 378 63.546 0.0391909 -3.28013 63.546000 Cu 0.351171 0.391315 3.25505e-17 202 63.546 0.0297749 -3.28285 63.546000 Cu 0.451155 0.34062 0.5 288 63.546 0.00525946 -3.28363 63.546000 Cu 0.491035 0.395702 2.71653e-16 311 63.546 0.00503097 -3.28161 63.546000 Cu 0.430797 0.376027 0.5 312 63.546 0.0175673 -3.28373 63.546000 Cu 0.511012 0.360456 5.7442e-17 313 63.546 0.00191483 -3.28255 63.546000 Cu 0.651546 0.364847 2.63276e-17 314 63.546 0.0122823 -3.28124 63.546000 Cu 0.591345 0.345047 0.5 315 63.546 0.00329836 -3.28201 63.546000 Cu 0.571299 0.380008 0.5 316 63.546 0.00846377 -3.28114 63.546000 Cu 0.371171 0.355786 1.29244e-17 380 63.546 0.00812149 -3.28364 63.546000 Cu 0.632007 0.399582 1 341 63.546 0.0391909 -3.28013 63.546000 Cu 0.991035 0.395702 0.5 373 63.546 0.00503097 -3.28161 63.546000 Cu 0.811551 0.335368 1 318 63.546 0.000752092 -3.28267 63.546000 Cu 0.731605 0.350088 0.5 320 63.546 0.00383864 -3.28169 63.546000 Cu 0.711936 0.384986 0.5 343 63.546 0.0158593 -3.28029 63.546000 Cu 0.791503 0.370541 8.01794e-17 345 63.546 0.00272614 -3.2817 63.546000 Cu 0.930797 0.376027 1.0914e-16 346 63.546 0.0175673 -3.28373 63.546000 Cu 0.871171 0.355786 0.5 347 63.546 0.00812149 -3.28364 63.546000 Cu 0.851171 0.391315 0.5 348 63.546 0.0297749 -3.28285 63.546000 Cu 0.951155 0.34062 0 349 63.546 0.00525946 -3.28363 63.546000 Cu 0.310285 0.463858 5.36125e-17 15 63.546 0.413023 -3.2511 63.546000 Cu 0.0516916 0.414928 1.2733e-16 372 63.546 0.0203647 -3.27885 63.546000 Cu 0.0319994 0.449929 2.08227e-17 389 63.546 0.0332443 -3.27737 63.546000 Cu 0.174594 0.454045 1 390 63.546 0.366171 -3.25944 63.546000 Cu 0.112733 0.434084 0.5 391 63.546 0.128023 -3.27859 63.546000 Cu 0.193015 0.419732 4.14061e-17 393 63.546 0.0680403 -3.27646 63.546000 Cu 0.27215 0.405804 0.5 395 63.546 0.00977732 -3.27805 63.546000 Cu 0.253078 0.441318 0.5 396 63.546 0.0420576 -3.26449 63.546000 Cu 0.331363 0.427245 0 394 63.546 0.10882 -3.27957 63.546000 Cu 0.390652 0.447735 0.5 5 63.546 0.128444 -3.27332 63.546000 Cu 0.41086 0.411681 0.5 198 63.546 0.0510705 -3.28176 63.546000 Cu 0.471294 0.431099 1 337 63.546 0.0117014 -3.27933 63.546000 Cu 0.612733 0.434084 0 338 63.546 0.128023 -3.27859 63.546000 Cu 0.551692 0.414928 0.5 339 63.546 0.0203647 -3.27885 63.546000 Cu 0.531999 0.449929 0.5 340 63.546 0.0332443 -3.27737 63.546000 Cu 0.77215 0.405804 0 342 63.546 0.00977732 -3.27805 63.546000 Cu 0.693015 0.419732 0.5 344 63.546 0.0680403 -3.27646 63.546000 Cu 0.674594 0.454045 0.5 365 63.546 0.366171 -3.25944 63.546000 Cu 0.753078 0.441318 1 367 63.546 0.0420576 -3.26449 63.546000 Cu 0.890652 0.447735 1 368 63.546 0.128444 -3.27332 63.546000 Cu 0.831363 0.427245 0.5 369 63.546 0.10882 -3.27957 63.546000 Cu 0.810285 0.463858 0.5 370 63.546 0.413023 -3.2511 63.546000 Cu 0.91086 0.411681 0 371 63.546 0.0510705 -3.28176 63.546000 Cu 0.971294 0.431099 0.5 374 63.546 0.0117014 -3.27933 63.546000 Cu 0.152998 0.518222 5.98354e-18 3 63.546 7.36266 -3.00192 63.546000 Cu 0.0778671 0.502462 0.5 4 63.546 3.80874 -3.20692 63.546000 Cu 0.232742 0.527545 0.5 8 63.546 5.79149 -3.10405 63.546000 Cu 0.233155 0.477362 0.5 16 63.546 5.83225 -3.10451 63.546000 Cu 0.0106685 0.520053 1.20868e-16 17 63.546 0.209038 -3.2783 63.546000 Cu 0.287062 0.502477 5.69633e-17 194 63.546 4.7852 -3.23973 63.546000 Cu 0.153318 0.486702 1.19671e-17 195 63.546 7.33483 -3.00307 63.546000 Cu 0.0109835 0.48492 2.51309e-17 386 63.546 0.202256 -3.27733 63.546000 Cu 0.0921981 0.468296 0.5 392 63.546 0.370673 -3.2741 63.546000 Cu 0.450135 0.46671 8.7599e-17 336 63.546 0.0351362 -3.27241 63.546000 Cu 0.369152 0.484304 0.5 1 63.546 0.457955 -3.25131 63.546000 Cu 0.510668 0.520053 0.5 2 63.546 0.209038 -3.2783 63.546000 Cu 0.368864 0.520701 0.5 7 63.546 0.45008 -3.25195 63.546000 Cu 0.577867 0.502462 1.56529e-16 32 63.546 3.80874 -3.20692 63.546000 Cu 0.652998 0.518222 0.5 34 63.546 7.36266 -3.00192 63.546000 Cu 0.434446 0.502498 0 361 63.546 0.488113 -3.27274 63.546000 Cu 0.510983 0.48492 0.5 362 63.546 0.202256 -3.27733 63.546000 Cu 0.592198 0.468296 1 363 63.546 0.370673 -3.2741 63.546000 Cu 0.653318 0.486702 0.5 366 63.546 7.33483 -3.00307 63.546000 Cu 0.950135 0.46671 0.5 387 63.546 0.0351362 -3.27241 63.546000 Cu 0.868864 0.520701 1 14 63.546 0.45008 -3.25195 63.546000 Cu 0.732742 0.527545 7.13238e-17 35 63.546 5.79149 -3.10405 63.546000 Cu 0.733155 0.477362 0 364 63.546 5.83225 -3.10451 63.546000 Cu 0.787062 0.502477 0.5 384 63.546 4.7852 -3.23973 63.546000 Cu 0.869152 0.484304 2.01047e-17 385 63.546 0.457955 -3.25131 63.546000 Cu 0.934446 0.502498 0.5 388 63.546 0.488113 -3.27274 63.546000 Cu 0.309731 0.541098 2.15407e-17 6 63.546 0.412541 -3.25146 63.546000 Cu 0.0313839 0.555027 1.18235e-16 18 63.546 0.0331168 -3.27764 63.546000 Cu 0.0917361 0.536642 0.5 19 63.546 0.369904 -3.27451 63.546000 Cu 0.173998 0.550868 1.65624e-16 21 63.546 0.358671 -3.25874 63.546000 Cu 0.192524 0.585166 1.34749e-16 22 63.546 0.0649948 -3.27653 63.546000 Cu 0.252454 0.563605 0.5 23 63.546 0.0420534 -3.26464 63.546000 Cu 0.112085 0.570828 0.5 24 63.546 0.123546 -3.27845 63.546000 Cu 0.330791 0.5777 1.84772e-16 25 63.546 0.108296 -3.27983 63.546000 Cu 0.271839 0.599101 0.5 28 63.546 0.00973648 -3.27846 63.546000 Cu 0.051295 0.590003 1.80703e-16 43 63.546 0.0203056 -3.2786 63.546000 Cu 0.449647 0.538277 5.07404e-17 9 63.546 0.0356538 -3.27309 63.546000 Cu 0.470711 0.573872 1.8525e-16 10 63.546 0.0105805 -3.2793 63.546000 Cu 0.531384 0.555027 0.5 11 63.546 0.0331168 -3.27764 63.546000 Cu 0.390017 0.557252 0.5 12 63.546 0.122105 -3.27356 63.546000 Cu 0.551295 0.590003 0.5 13 63.546 0.0203056 -3.2786 63.546000 Cu 0.41054 0.593286 0.5 27 63.546 0.0472544 -3.28155 63.546000 Cu 0.591736 0.536642 2.32161e-16 33 63.546 0.369904 -3.27451 63.546000 Cu 0.612085 0.570828 1.12969e-16 58 63.546 0.123546 -3.27845 63.546000 Cu 0.673998 0.550868 0.5 38 63.546 0.358671 -3.25874 63.546000 Cu 0.949647 0.538277 0.5 20 63.546 0.0356538 -3.27309 63.546000 Cu 0.752454 0.563605 2.01526e-16 36 63.546 0.0420534 -3.26464 63.546000 Cu 0.809731 0.541098 0.5 37 63.546 0.412541 -3.25146 63.546000 Cu 0.890017 0.557252 2.06791e-16 39 63.546 0.122105 -3.27356 63.546000 Cu 0.91054 0.593286 1 40 63.546 0.0472544 -3.28155 63.546000 Cu 0.970711 0.573872 0.5 41 63.546 0.0105805 -3.2793 63.546000 Cu 0.830791 0.5777 0.5 42 63.546 0.108296 -3.27983 63.546000 Cu 0.692524 0.585166 0.5 60 63.546 0.0649948 -3.27653 63.546000 Cu 0.771839 0.599101 8.83171e-17 61 63.546 0.00973648 -3.27846 63.546000 Cu 0.0712975 0.624908 1 44 63.546 0.00817653 -3.28121 63.546000 Cu 0.131867 0.605308 0.5 45 63.546 0.0366836 -3.27999 63.546000 Cu 0.211875 0.6199 1.16799e-16 47 63.546 0.0142507 -3.28034 63.546000 Cu 0.231348 0.654828 1.77113e-16 48 63.546 0.00361616 -3.28176 63.546000 Cu 0.291471 0.634362 0.5 49 63.546 0.00261117 -3.28177 63.546000 Cu 0.15147 0.640053 0.5 50 63.546 0.0113278 -3.28137 63.546000 Cu 0.0108887 0.644487 0.5 67 63.546 0.00164576 -3.28272 63.546000 Cu 0.0909957 0.659872 2.02962e-16 69 63.546 0.00275813 -3.2822 63.546000 Cu 0.351113 0.613615 3.26223e-16 26 63.546 0.0290865 -3.28303 63.546000 Cu 0.490954 0.609245 2.66387e-16 29 63.546 0.00446996 -3.28148 63.546000 Cu 0.510889 0.644487 1.59402e-16 30 63.546 0.00164576 -3.28272 63.546000 Cu 0.430803 0.628923 0.5 31 63.546 0.0154616 -3.2837 63.546000 Cu 0.370992 0.649146 2.69259e-16 51 63.546 0.00798271 -3.28364 63.546000 Cu 0.450753 0.664343 0.5 53 63.546 0.00407028 -3.28369 63.546000 Cu 0.631867 0.605308 1.4911e-16 59 63.546 0.0366836 -3.27999 63.546000 Cu 0.571297 0.624908 0.5 82 63.546 0.00817653 -3.28121 63.546000 Cu 0.65147 0.640053 2.13253e-16 83 63.546 0.0113278 -3.28137 63.546000 Cu 0.590996 0.659872 0.5 86 63.546 0.00275813 -3.2822 63.546000 Cu 0.990954 0.609245 0.5 46 63.546 0.00446996 -3.28148 63.546000 Cu 0.791471 0.634362 3.18324e-16 62 63.546 0.00261117 -3.28177 63.546000 Cu 0.851113 0.613615 0.5 63 63.546 0.0290865 -3.28303 63.546000 Cu 0.711875 0.6199 0.5 64 63.546 0.0142507 -3.28034 63.546000 Cu 0.930803 0.628923 2.77636e-17 65 63.546 0.0154616 -3.2837 63.546000 Cu 0.950753 0.664343 1.73523e-16 66 63.546 0.00407028 -3.28369 63.546000 Cu 0.870992 0.649146 0.5 68 63.546 0.00798271 -3.28364 63.546000 Cu 0.731348 0.654828 0.5 85 63.546 0.00361616 -3.28176 63.546000 Cu 0.311052 0.669548 0.5 54 63.546 0.000858593 -3.28262 63.546000 Cu 0.110723 0.694904 6.94091e-18 70 63.546 0.000984008 -3.28265 63.546000 Cu 0.171062 0.674957 0.5 71 63.546 0.00341351 -3.28208 63.546000 Cu 0.0307213 0.679682 0.5 72 63.546 0.000446834 -3.28305 63.546000 Cu 0.250916 0.689833 1 73 63.546 0.000823756 -3.28232 63.546000 Cu 0.270437 0.724885 1 74 63.546 0.000110798 -3.28258 63.546000 Cu 0.330695 0.704704 0.5 75 63.546 0.000450195 -3.28293 63.546000 Cu 0.19064 0.709949 0.5 76 63.546 0.0008136 -3.28243 63.546000 Cu 0.0504868 0.714859 0.5 93 63.546 0.000164948 -3.28325 63.546000 Cu 0.130317 0.729992 1.74719e-16 95 63.546 0.000492839 -3.28284 63.546000 Cu 0.390765 0.684471 1.33313e-16 52 63.546 0.00252942 -3.2835 63.546000 Cu 0.530721 0.679682 1.12251e-16 55 63.546 0.000446834 -3.28305 63.546000 Cu 0.550487 0.714859 1.84772e-16 56 63.546 0.000164948 -3.28325 63.546000 Cu 0.470589 0.699634 0.5 57 63.546 0.000899222 -3.28355 63.546000 Cu 0.410407 0.719718 1.40254e-16 77 63.546 0.000739886 -3.28341 63.546000 Cu 0.610723 0.694904 0.5 108 63.546 0.000984008 -3.28265 63.546000 Cu 0.630317 0.729992 0.5 112 63.546 0.000492839 -3.28284 63.546000 Cu 0.671062 0.674957 1.58923e-16 84 63.546 0.00341351 -3.28208 63.546000 Cu 0.811052 0.669548 1.68018e-16 87 63.546 0.000858593 -3.28262 63.546000 Cu 0.830695 0.704704 5.86387e-17 88 63.546 0.000450195 -3.28293 63.546000 Cu 0.890765 0.684471 0.5 89 63.546 0.00252942 -3.2835 63.546000 Cu 0.750916 0.689833 0.5 90 63.546 0.000823756 -3.28232 63.546000 Cu 0.970589 0.699634 4.11668e-17 91 63.546 0.000899222 -3.28355 63.546000 Cu 0.910407 0.719718 0.5 94 63.546 0.000739886 -3.28341 63.546000 Cu 0.69064 0.709949 1.7448e-16 109 63.546 0.0008136 -3.28243 63.546000 Cu 0.770437 0.724885 0.5 111 63.546 0.000110798 -3.28258 63.546000 Cu 0.149772 0.765107 2.2522e-16 96 63.546 0.000391185 -3.28291 63.546000 Cu 0.210058 0.74499 0.5 97 63.546 8.27513e-05 -3.28261 63.546000 Cu 0.0699822 0.75003 0.5 98 63.546 0.000207922 -3.28328 63.546000 Cu 0.289858 0.759947 1.91234e-16 99 63.546 0.000126934 -3.28262 63.546000 Cu 0.309287 0.794983 0 100 63.546 0.000975655 -3.2825 63.546000 Cu 0.229459 0.780049 0.5 102 63.546 0.000174325 -3.28253 63.546000 Cu 0.00974392 0.770076 1.00284e-16 117 63.546 6.31233e-05 -3.28342 63.546000 Cu 0.0894923 0.785221 0.5 119 63.546 0.000722233 -3.28335 63.546000 Cu 0.429946 0.754921 0 78 63.546 0.000186249 -3.28324 63.546000 Cu 0.490197 0.734868 0.5 79 63.546 9.06557e-05 -3.28345 63.546000 Cu 0.350192 0.739849 0.5 80 63.546 0.000293579 -3.28296 63.546000 Cu 0.509744 0.770076 0.5 81 63.546 6.31233e-05 -3.28342 63.546000 Cu 0.369631 0.774955 0.5 101 63.546 0.000439129 -3.28286 63.546000 Cu 0.449492 0.790093 4.78683e-17 103 63.546 0.000156016 -3.28322 63.546000 Cu 0.569982 0.75003 1 132 63.546 0.000207922 -3.28328 63.546000 Cu 0.589492 0.785221 1 133 63.546 0.000722233 -3.28335 63.546000 Cu 0.649772 0.765107 0.5 134 63.546 0.000391185 -3.28291 63.546000 Cu 0.990197 0.734868 0 92 63.546 9.06557e-05 -3.28345 63.546000 Cu 0.710058 0.74499 7.20418e-17 110 63.546 8.27513e-05 -3.28261 63.546000 Cu 0.850192 0.739849 0 113 63.546 0.000293579 -3.28296 63.546000 Cu 0.869631 0.774955 1 114 63.546 0.000439129 -3.28286 63.546000 Cu 0.929946 0.754921 0.5 115 63.546 0.000186249 -3.28324 63.546000 Cu 0.789858 0.759947 0.5 116 63.546 0.000126934 -3.28262 63.546000 Cu 0.949492 0.790093 0.5 120 63.546 0.000156016 -3.28322 63.546000 Cu 0.729459 0.780049 0 135 63.546 0.000174325 -3.28253 63.546000 Cu 0.809287 0.794983 0.5 137 63.546 0.000975655 -3.2825 63.546000 Cu 0.169268 0.800234 1.9626e-16 121 63.546 0.000435993 -3.28293 63.546000 Cu 0.0293729 0.805309 1.44802e-16 118 63.546 0.0009388 -3.28358 63.546000 Cu 0.188911 0.835383 2.16126e-16 122 63.546 0.000824394 -3.28261 63.546000 Cu 0.249039 0.815103 0.5 123 63.546 0.000814382 -3.28233 63.546000 Cu 0.109188 0.820473 0.5 124 63.546 0.00262064 -3.28354 63.546000 Cu 0.328914 0.829978 7.49139e-17 125 63.546 0.0034831 -3.28207 63.546000 Cu 0.268687 0.850104 0.5 128 63.546 0.00367912 -3.28174 63.546000 Cu 0.049227 0.84061 4.59536e-17 143 63.546 0.00452416 -3.28368 63.546000 Cu 0.129075 0.855792 0.5 145 63.546 0.00791296 -3.28361 63.546000 Cu 0.469233 0.825264 1 104 63.546 0.00050118 -3.2831 63.546000 Cu 0.529373 0.805309 0.5 105 63.546 0.0009388 -3.28358 63.546000 Cu 0.389214 0.810034 0.5 106 63.546 0.00100155 -3.28263 63.546000 Cu 0.549227 0.84061 0.5 107 63.546 0.00452416 -3.28368 63.546000 Cu 0.348655 0.864874 0 126 63.546 0.011597 -3.28126 63.546000 Cu 0.40899 0.845064 0.5 127 63.546 0.00289239 -3.28214 63.546000 Cu 0.48921 0.860462 0 129 63.546 0.0017969 -3.28267 63.546000 Cu 0.609188 0.820473 1 158 63.546 0.00262064 -3.28354 63.546000 Cu 0.629075 0.855792 1 159 63.546 0.00791296 -3.28361 63.546000 Cu 0.669268 0.800234 0.5 138 63.546 0.000435993 -3.28293 63.546000 Cu 0.749039 0.815103 0 136 63.546 0.000814382 -3.28233 63.546000 Cu 0.889214 0.810034 0 139 63.546 0.00100155 -3.28263 63.546000 Cu 0.90899 0.845064 2.01047e-16 140 63.546 0.00289239 -3.28214 63.546000 Cu 0.969233 0.825264 0.5 141 63.546 0.00050118 -3.2831 63.546000 Cu 0.828914 0.829978 0.5 142 63.546 0.0034831 -3.28207 63.546000 Cu 0.98921 0.860462 0.5 146 63.546 0.0017969 -3.28267 63.546000 Cu 0.688911 0.835383 0.5 160 63.546 0.000824394 -3.28261 63.546000 Cu 0.768687 0.850104 0 161 63.546 0.00367912 -3.28174 63.546000 Cu 0.848655 0.864874 0.5 163 63.546 0.011597 -3.28126 63.546000 Cu 0.0692936 0.876025 1.25894e-16 144 63.546 0.016298 -3.28378 63.546000 Cu 0.208664 0.870561 1.69933e-16 147 63.546 0.0024782 -3.28169 63.546000 Cu 0.227961 0.905818 1.7807e-16 148 63.546 0.00961288 -3.27829 63.546000 Cu 0.288195 0.885013 0.5 149 63.546 0.0149622 -3.2803 63.546000 Cu 0.1489 0.891306 0.5 150 63.546 0.0279591 -3.28296 63.546000 Cu 0.307131 0.919772 0.5 154 63.546 0.065123 -3.27652 63.546000 Cu 0.00899873 0.895712 0.5 167 63.546 0.00469565 -3.28168 63.546000 Cu 0.0892225 0.911662 1.9267e-16 169 63.546 0.048116 -3.2818 63.546000 Cu 0.168787 0.927231 0.5 171 63.546 0.105415 -3.27978 63.546000 Cu 0.0288741 0.931094 0.5 172 63.546 0.0111835 -3.27947 63.546000 Cu 0.508999 0.895712 2.39342e-19 130 63.546 0.00469565 -3.28168 63.546000 Cu 0.428788 0.88003 0.5 131 63.546 0.00809308 -3.28119 63.546000 Cu 0.368072 0.899621 1.59402e-16 151 63.546 0.0373097 -3.28012 63.546000 Cu 0.44841 0.914951 0.5 153 63.546 0.0196837 -3.27882 63.546000 Cu 0.528874 0.931094 1 155 63.546 0.0111835 -3.27947 63.546000 Cu 0.569294 0.876025 0.5 180 63.546 0.016298 -3.28378 63.546000 Cu 0.6489 0.891306 3.51832e-17 181 63.546 0.0279591 -3.28296 63.546000 Cu 0.589222 0.911662 0.5 184 63.546 0.048116 -3.2818 63.546000 Cu 0.668787 0.927231 1.07464e-16 182 63.546 0.105415 -3.27978 63.546000 Cu 0.788195 0.885013 0 162 63.546 0.0149622 -3.2803 63.546000 Cu 0.708664 0.870561 0.5 164 63.546 0.0024782 -3.28169 63.546000 Cu 0.928788 0.88003 4.42782e-17 165 63.546 0.00809308 -3.28119 63.546000 Cu 0.94841 0.914951 3.26941e-16 166 63.546 0.0196837 -3.27882 63.546000 Cu 0.868072 0.899621 0.5 168 63.546 0.0373097 -3.28012 63.546000 Cu 0.727961 0.905818 0.5 183 63.546 0.00961288 -3.27829 63.546000 Cu 0.807131 0.919772 1.819e-17 185 63.546 0.065123 -3.27652 63.546000 Cu 0.10952 0.947697 1.52939e-16 170 63.546 0.121969 -3.27355 63.546000 Cu 0.247101 0.941337 1 173 63.546 0.0423664 -3.26489 63.546000 Cu 0.266989 0.977388 0 174 63.546 5.80691 -3.10477 63.546000 Cu 0.325589 0.954078 0.5 175 63.546 0.359622 -3.25927 63.546000 Cu 0.189883 0.963836 0.5 176 63.546 0.408369 -3.25119 63.546000 Cu 0.0500203 0.96668 0.5 191 63.546 0.0347673 -3.27291 63.546000 Cu 0.130976 0.984248 7.15632e-17 193 63.546 0.447944 -3.2511 63.546000 Cu 0.387452 0.934121 1 152 63.546 0.124424 -3.27848 63.546000 Cu 0.55002 0.96668 4.9065e-17 156 63.546 0.0347673 -3.27291 63.546000 Cu 0.468145 0.949942 0.5 157 63.546 0.0322554 -3.27754 63.546000 Cu 0.407897 0.968317 0 177 63.546 0.365249 -3.27416 63.546000 Cu 0.489133 0.984906 0.5 178 63.546 0.201613 -3.27759 63.546000 Cu 0.346799 0.986735 0.5 179 63.546 7.35679 -3.00304 63.546000 Cu 0.60952 0.947697 0.5 196 63.546 0.121969 -3.27355 63.546000 Cu 0.630976 0.984248 0.5 200 63.546 0.447944 -3.2511 63.546000 Cu 0.825589 0.954078 0 186 63.546 0.359622 -3.25927 63.546000 Cu 0.887452 0.934121 0.5 187 63.546 0.124424 -3.27848 63.546000 Cu 0.747101 0.941337 0.5 188 63.546 0.0423664 -3.26489 63.546000 Cu 0.968145 0.949942 2.92475e-16 189 63.546 0.0322554 -3.27754 63.546000 Cu 0.989133 0.984906 2.1804e-16 190 63.546 0.201613 -3.27759 63.546000 Cu 0.907897 0.968317 0.5 192 63.546 0.365249 -3.27416 63.546000 Cu 0.689883 0.963836 2.39342e-19 197 63.546 0.408369 -3.25119 63.546000 Cu 0.766989 0.977388 0.5 199 63.546 5.80691 -3.10477 63.546000 Cu 0.846799 0.986735 1.28048e-16 201 63.546 7.35679 -3.00304