Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.2686 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 73.0536 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.59212 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 0.0808014 0.0460036 1 225 63.546 0.667853 -3.41781 63.546000 Cu 0.0526605 0.0154594 0.5 226 63.546 8.21313 -3.40444 63.546000 Cu 0.15196 0.0144724 1 228 63.546 2.25195 -3.49475 63.546000 Cu 0.167303 0.0407044 0.5 231 63.546 0.468451 -3.46027 63.546000 Cu 0.261881 0.0389211 1 229 63.546 0.565888 -3.48907 63.546000 Cu 0.253081 0.0144925 0.5 230 63.546 1.1002 -3.49555 63.546000 Cu 0.349608 0.0145175 7.24145e-16 232 63.546 6.65526 -3.23244 63.546000 Cu 0.466133 0.0306885 5.80716e-17 233 63.546 8.91373 -3.28082 63.546000 Cu 0.367073 0.0355208 0.5 235 63.546 3.5837 -3.42812 63.546000 Cu 0.382708 0.0581604 3.67264e-16 253 63.546 0.0631486 -3.51238 63.546000 Cu 0.485184 0.0528708 0.5 255 63.546 0.597221 -3.4501 63.546000 Cu 0.65196 0.0144724 1.20731e-19 210 63.546 2.25195 -3.49475 63.546000 Cu 0.552661 0.0154594 0.5 211 63.546 8.21313 -3.40444 63.546000 Cu 0.580801 0.0460036 1 216 63.546 0.667853 -3.41781 63.546000 Cu 0.667303 0.0407044 0.5 218 63.546 0.468451 -3.46027 63.546000 Cu 0.753081 0.0144925 0.5 213 63.546 1.1002 -3.49555 63.546000 Cu 0.761881 0.0389211 6.1428e-16 220 63.546 0.565888 -3.48907 63.546000 Cu 0.849608 0.0145175 1 212 63.546 6.65526 -3.23244 63.546000 Cu 0.882708 0.0581604 0 221 63.546 0.0631486 -3.51238 63.546000 Cu 0.867073 0.0355208 0.5 222 63.546 3.5837 -3.42812 63.546000 Cu 0.966133 0.0306885 1 224 63.546 8.91373 -3.28082 63.546000 Cu 0.985184 0.0528708 0.5 227 63.546 0.597221 -3.4501 63.546000 Cu 0.114538 0.0960557 1 246 63.546 0.00900977 -3.51631 63.546000 Cu 0.0974997 0.0714766 0.5 247 63.546 0.07642 -3.50104 63.546000 Cu 0.189479 0.0671295 1 249 63.546 0.0927445 -3.49099 63.546000 Cu 0.210171 0.0914834 0.5 252 63.546 0.0193255 -3.51278 63.546000 Cu 0.22975 0.115416 1 271 63.546 0.00226781 -3.51957 63.546000 Cu 0.00134862 0.0762274 1.22421e-16 245 63.546 0.0473504 -3.52507 63.546000 Cu 0.018816 0.100432 0.5 248 63.546 0.00707103 -3.52457 63.546000 Cu 0.305754 0.0864837 0 250 63.546 0.0078377 -3.51995 63.546000 Cu 0.283787 0.0624832 0.5 251 63.546 0.119362 -3.519 63.546000 Cu 0.403084 0.0813274 0.5 256 63.546 0.0234649 -3.52639 63.546000 Cu 0.326375 0.110383 0.5 273 63.546 0.00185034 -3.52124 63.546000 Cu 0.422733 0.105261 0 275 63.546 0.00756301 -3.52491 63.546000 Cu 0.501349 0.0762274 0 254 63.546 0.0473504 -3.52507 63.546000 Cu 0.518816 0.100432 0.5 276 63.546 0.00707103 -3.52457 63.546000 Cu 0.689479 0.0671295 6.65228e-17 217 63.546 0.0927445 -3.49099 63.546000 Cu 0.5975 0.0714766 0.5 219 63.546 0.07642 -3.50104 63.546000 Cu 0.614538 0.0960557 1 237 63.546 0.00900977 -3.51631 63.546000 Cu 0.72975 0.115416 1 238 63.546 0.00226781 -3.51957 63.546000 Cu 0.710171 0.0914834 0.5 239 63.546 0.0193255 -3.51278 63.546000 Cu 0.783787 0.0624832 0.5 223 63.546 0.119362 -3.519 63.546000 Cu 0.805754 0.0864837 1 241 63.546 0.0078377 -3.51995 63.546000 Cu 0.922733 0.105261 2.65488e-16 242 63.546 0.00756301 -3.52491 63.546000 Cu 0.903084 0.0813274 0.5 243 63.546 0.0234649 -3.52639 63.546000 Cu 0.826375 0.110383 0.5 244 63.546 0.00185034 -3.52124 63.546000 Cu 0.0374504 0.124778 1.21335e-16 267 63.546 0.00105585 -3.52055 63.546000 Cu 0.152802 0.144206 1 268 63.546 0.000731648 -3.5212 63.546000 Cu 0.13334 0.120178 0.5 269 63.546 0.00342768 -3.51969 63.546000 Cu 0.0566676 0.148974 0.5 270 63.546 0.000728532 -3.52034 63.546000 Cu 0.249224 0.139329 0.5 274 63.546 0.000242714 -3.52199 63.546000 Cu 0.0760535 0.173073 1 288 63.546 0.000282263 -3.52103 63.546000 Cu 0.172315 0.168237 0.5 290 63.546 5.90831e-05 -3.52162 63.546000 Cu 0.26865 0.163352 1 292 63.546 0.00027569 -3.5221 63.546000 Cu 0.345717 0.134377 1 272 63.546 0.00135919 -3.52216 63.546000 Cu 0.441801 0.129478 0.5 277 63.546 0.00152771 -3.52171 63.546000 Cu 0.36486 0.158484 0.5 294 63.546 0.000488425 -3.52185 63.546000 Cu 0.4608 0.153695 1 296 63.546 0.000147907 -3.52074 63.546000 Cu 0.53745 0.124778 1 236 63.546 0.00105585 -3.52055 63.546000 Cu 0.63334 0.120178 0.5 240 63.546 0.00342768 -3.51969 63.546000 Cu 0.576054 0.173073 0 257 63.546 0.000282263 -3.52103 63.546000 Cu 0.556668 0.148974 0.5 258 63.546 0.000728532 -3.52034 63.546000 Cu 0.652802 0.144206 1 259 63.546 0.000731648 -3.5212 63.546000 Cu 0.749224 0.139329 0.5 261 63.546 0.000242714 -3.52199 63.546000 Cu 0.672315 0.168237 0.5 262 63.546 5.90831e-05 -3.52162 63.546000 Cu 0.76865 0.163352 2.45808e-16 260 63.546 0.00027569 -3.5221 63.546000 Cu 0.845717 0.134377 1.76509e-16 263 63.546 0.00135919 -3.52216 63.546000 Cu 0.9608 0.153695 1 264 63.546 0.000147907 -3.52074 63.546000 Cu 0.941801 0.129478 0.5 265 63.546 0.00152771 -3.52171 63.546000 Cu 0.86486 0.158484 0.5 266 63.546 0.000488425 -3.52185 63.546000 Cu 0.191751 0.192284 6.54362e-17 289 63.546 8.75248e-05 -3.52166 63.546000 Cu 0.0954922 0.197142 0.5 291 63.546 3.19781e-05 -3.52143 63.546000 Cu 0.114932 0.221213 1 310 63.546 2.74701e-05 -3.52165 63.546000 Cu 0.211115 0.216377 0.5 312 63.546 7.04397e-05 -3.52162 63.546000 Cu 0.0187694 0.226061 0.5 308 63.546 1.58616e-05 -3.52146 63.546000 Cu 0.383985 0.182633 1 293 63.546 3.86714e-05 -3.52135 63.546000 Cu 0.287928 0.187438 0.5 295 63.546 0.000194746 -3.52168 63.546000 Cu 0.479979 0.177857 0.5 297 63.546 0.000141916 -3.5209 63.546000 Cu 0.307207 0.211574 1 314 63.546 1.96982e-05 -3.52143 63.546000 Cu 0.42265 0.23089 2.47982e-16 315 63.546 3.93427e-05 -3.52125 63.546000 Cu 0.403226 0.206778 0.5 316 63.546 7.75164e-05 -3.52122 63.546000 Cu 0.499286 0.201971 1 318 63.546 0.000143608 -3.52117 63.546000 Cu 0.518769 0.226061 0.5 319 63.546 1.58616e-05 -3.52146 63.546000 Cu 0.614932 0.221213 0 278 63.546 2.74701e-05 -3.52165 63.546000 Cu 0.595492 0.197142 0.5 279 63.546 3.19781e-05 -3.52143 63.546000 Cu 0.691751 0.192284 2.26612e-16 280 63.546 8.75248e-05 -3.52166 63.546000 Cu 0.711115 0.216377 0.5 283 63.546 7.04397e-05 -3.52162 63.546000 Cu 0.807207 0.211574 1.4693e-16 281 63.546 1.96982e-05 -3.52143 63.546000 Cu 0.787928 0.187438 0.5 282 63.546 0.000194746 -3.52168 63.546000 Cu 0.883985 0.182633 1 284 63.546 3.86714e-05 -3.52135 63.546000 Cu 0.999286 0.201971 6.13193e-16 285 63.546 0.000143608 -3.52117 63.546000 Cu 0.979979 0.177857 0.5 286 63.546 0.000141916 -3.5209 63.546000 Cu 0.903226 0.206778 0.5 287 63.546 7.75164e-05 -3.52122 63.546000 Cu 0.92265 0.23089 1 306 63.546 3.93427e-05 -3.52125 63.546000 Cu 0.0382618 0.250149 8.65642e-17 307 63.546 8.62577e-06 -3.52166 63.546000 Cu 0.230498 0.24049 1 311 63.546 2.09918e-05 -3.52135 63.546000 Cu 0.134428 0.245311 0.5 313 63.546 3.21808e-05 -3.52159 63.546000 Cu 0.0576824 0.274226 0.5 330 63.546 2.26122e-05 -3.52152 63.546000 Cu 0.153872 0.269407 1.21938e-16 332 63.546 6.83544e-05 -3.52138 63.546000 Cu 0.249964 0.264609 0.5 334 63.546 3.88046e-05 -3.52131 63.546000 Cu 0.173173 0.293508 0.5 335 63.546 2.77207e-05 -3.5213 63.546000 Cu 0.269276 0.288721 1 333 63.546 3.90798e-05 -3.52144 63.546000 Cu 0.326559 0.235691 0.5 317 63.546 1.17358e-05 -3.5212 63.546000 Cu 0.345988 0.259803 1 336 63.546 1.55186e-05 -3.52138 63.546000 Cu 0.461502 0.279075 1 337 63.546 2.79864e-05 -3.52157 63.546000 Cu 0.442081 0.254982 0.5 338 63.546 2.17561e-05 -3.52153 63.546000 Cu 0.365396 0.283915 0.5 339 63.546 9.42463e-05 -3.52156 63.546000 Cu 0.538262 0.250149 1.22059e-16 298 63.546 8.62577e-06 -3.52166 63.546000 Cu 0.653872 0.269407 1 299 63.546 6.83544e-05 -3.52138 63.546000 Cu 0.634428 0.245311 0.5 300 63.546 3.21808e-05 -3.52159 63.546000 Cu 0.557682 0.274226 0.5 301 63.546 2.26122e-05 -3.52152 63.546000 Cu 0.730498 0.24049 1.47292e-17 302 63.546 2.09918e-05 -3.52135 63.546000 Cu 0.749964 0.264609 0.5 305 63.546 3.88046e-05 -3.52131 63.546000 Cu 0.673173 0.293508 0.5 322 63.546 2.77207e-05 -3.5213 63.546000 Cu 0.769276 0.288721 1 324 63.546 3.90798e-05 -3.52144 63.546000 Cu 0.845988 0.259803 0 303 63.546 1.55186e-05 -3.52138 63.546000 Cu 0.826559 0.235691 0.5 304 63.546 1.17358e-05 -3.5212 63.546000 Cu 0.942081 0.254982 0.5 309 63.546 2.17561e-05 -3.52153 63.546000 Cu 0.865396 0.283915 0.5 326 63.546 9.42463e-05 -3.52156 63.546000 Cu 0.961502 0.279075 3.93583e-17 328 63.546 2.79864e-05 -3.52157 63.546000 Cu 0.0770805 0.298303 1 329 63.546 0.000112949 -3.52127 63.546000 Cu 0.11538 0.346499 1 350 63.546 1.77253e-05 -3.52121 63.546000 Cu 0.0963037 0.322397 0.5 351 63.546 6.1106e-05 -3.52116 63.546000 Cu 0.192375 0.317616 0 353 63.546 1.72344e-05 -3.52134 63.546000 Cu 0.211498 0.341721 0.5 356 63.546 0.000142089 -3.52154 63.546000 Cu 0.000191464 0.327185 7.24386e-19 349 63.546 0.000194045 -3.52116 63.546000 Cu 0.0192914 0.35126 0.5 352 63.546 0.000146344 -3.52094 63.546000 Cu 0.30768 0.336894 3.03156e-16 354 63.546 0.000108339 -3.52154 63.546000 Cu 0.288471 0.312822 0.5 355 63.546 0.000106193 -3.52147 63.546000 Cu 0.38469 0.307994 1.22904e-16 357 63.546 8.46138e-05 -3.52147 63.546000 Cu 0.480921 0.303138 0.5 359 63.546 6.01201e-05 -3.52131 63.546000 Cu 0.403932 0.332027 0.5 360 63.546 1.62929e-05 -3.52139 63.546000 Cu 0.500191 0.327185 5.16729e-17 358 63.546 0.000194045 -3.52116 63.546000 Cu 0.519291 0.35126 0.5 380 63.546 0.000146344 -3.52094 63.546000 Cu 0.577081 0.298303 1.20127e-16 320 63.546 0.000112949 -3.52127 63.546000 Cu 0.692375 0.317616 1.17592e-16 321 63.546 1.72344e-05 -3.52134 63.546000 Cu 0.596304 0.322397 0.5 323 63.546 6.1106e-05 -3.52116 63.546000 Cu 0.61538 0.346499 1 341 63.546 1.77253e-05 -3.52121 63.546000 Cu 0.711498 0.341721 0.5 343 63.546 0.000142089 -3.52154 63.546000 Cu 0.88469 0.307994 1 325 63.546 8.46138e-05 -3.52147 63.546000 Cu 0.788471 0.312822 0.5 327 63.546 0.000106193 -3.52147 63.546000 Cu 0.980921 0.303138 0.5 331 63.546 6.01201e-05 -3.52131 63.546000 Cu 0.80768 0.336894 5.1528e-16 345 63.546 0.000108339 -3.52154 63.546000 Cu 0.903932 0.332027 0.5 347 63.546 1.62929e-05 -3.52139 63.546000 Cu 0.0383555 0.375375 1 371 63.546 0.000113385 -3.52062 63.546000 Cu 0.153294 0.394707 1 372 63.546 0.00118163 -3.52191 63.546000 Cu 0.134332 0.370608 0.5 373 63.546 0.000265942 -3.52154 63.546000 Cu 0.0572709 0.399561 0.5 374 63.546 0.000748826 -3.52146 63.546000 Cu 0.230573 0.365792 0 375 63.546 0.000269505 -3.52194 63.546000 Cu 0.249699 0.3898 0.5 378 63.546 0.000255251 -3.52194 63.546000 Cu 0.346184 0.384929 1 376 63.546 0.000384214 -3.52128 63.546000 Cu 0.326903 0.360931 0.5 377 63.546 3.85672e-05 -3.5216 63.546000 Cu 0.423169 0.356064 1.21576e-16 379 63.546 0.000202324 -3.52118 63.546000 Cu 0.442372 0.380133 0.5 381 63.546 0.000504607 -3.52046 63.546000 Cu 0.365509 0.408923 0.5 398 63.546 0.00227927 -3.52012 63.546000 Cu 0.461571 0.404263 1.44877e-18 400 63.546 0.00115663 -3.52059 63.546000 Cu 0.538355 0.375375 1 340 63.546 0.000113385 -3.52062 63.546000 Cu 0.730573 0.365792 8.94617e-17 342 63.546 0.000269505 -3.52194 63.546000 Cu 0.634332 0.370608 0.5 344 63.546 0.000265942 -3.52154 63.546000 Cu 0.557271 0.399561 0.5 362 63.546 0.000748826 -3.52146 63.546000 Cu 0.653294 0.394707 1 363 63.546 0.00118163 -3.52191 63.546000 Cu 0.749699 0.3898 0.5 365 63.546 0.000255251 -3.52194 63.546000 Cu 0.923169 0.356064 1 346 63.546 0.000202324 -3.52118 63.546000 Cu 0.826903 0.360931 0.5 348 63.546 3.85672e-05 -3.5216 63.546000 Cu 0.846184 0.384929 1.22301e-16 367 63.546 0.000384214 -3.52128 63.546000 Cu 0.961571 0.404263 2.40738e-16 368 63.546 0.00115663 -3.52059 63.546000 Cu 0.942372 0.380133 0.5 369 63.546 0.000504607 -3.52046 63.546000 Cu 0.865509 0.408923 0.5 370 63.546 0.00227927 -3.52012 63.546000 Cu 0.0762593 0.423796 1.81097e-18 392 63.546 0.00611891 -3.52461 63.546000 Cu 0.192981 0.442679 2.77561e-16 393 63.546 0.00565254 -3.52073 63.546000 Cu 0.172489 0.418733 0.5 394 63.546 0.00215942 -3.52122 63.546000 Cu 0.0958489 0.447793 0.5 395 63.546 0.0214804 -3.52701 63.546000 Cu 0.214989 0.466698 0.5 411 63.546 0.113174 -3.51933 63.546000 Cu 0.26904 0.413714 2.70075e-16 396 63.546 0.00154647 -3.51999 63.546000 Cu 0.497835 0.452791 2.44239e-16 3 63.546 0.0360268 -3.525 63.546000 Cu 0.401782 0.457476 0.5 9 63.546 0.0705181 -3.50101 63.546000 Cu 0.309509 0.461877 1 208 63.546 0.0962706 -3.49071 63.546000 Cu 0.384491 0.432982 9.36994e-16 397 63.546 0.00917251 -3.51673 63.546000 Cu 0.288603 0.437624 0.5 399 63.546 0.0164711 -3.5134 63.546000 Cu 0.480252 0.428565 0.5 401 63.546 0.00414091 -3.52421 63.546000 Cu 0.576259 0.423796 1 361 63.546 0.00611891 -3.52461 63.546000 Cu 0.672489 0.418733 0.5 366 63.546 0.00215942 -3.52122 63.546000 Cu 0.595849 0.447793 0.5 383 63.546 0.0214804 -3.52701 63.546000 Cu 0.692981 0.442679 4.92824e-16 384 63.546 0.00565254 -3.52073 63.546000 Cu 0.714989 0.466698 0.5 387 63.546 0.113174 -3.51933 63.546000 Cu 0.76904 0.413714 8.72885e-17 364 63.546 0.00154647 -3.51999 63.546000 Cu 0.809509 0.461877 0 385 63.546 0.0962706 -3.49071 63.546000 Cu 0.788603 0.437624 0.5 386 63.546 0.0164711 -3.5134 63.546000 Cu 0.884491 0.432982 2.52811e-16 388 63.546 0.00917251 -3.51673 63.546000 Cu 0.997835 0.452791 2.47619e-16 389 63.546 0.0360268 -3.525 63.546000 Cu 0.980252 0.428565 0.5 390 63.546 0.00414091 -3.52421 63.546000 Cu 0.901782 0.457476 0.5 391 63.546 0.0705181 -3.50101 63.546000 Cu 0.15074 0.514559 6.71748e-16 2 63.546 6.66127 -3.23237 63.546000 Cu 0.0320408 0.498719 2.84684e-16 407 63.546 9.24311 -3.28769 63.546000 Cu 0.115938 0.47109 1.29424e-16 409 63.546 0.0560449 -3.51432 63.546000 Cu 0.237643 0.490112 2.75991e-16 410 63.546 0.58392 -3.48411 63.546000 Cu 0.131631 0.49371 0.5 412 63.546 3.74943 -3.42466 63.546000 Cu 0.247249 0.514517 0.5 5 63.546 1.10359 -3.49552 63.546000 Cu 0.0140462 0.476281 0.5 408 63.546 0.766016 -3.44473 63.546000 Cu 0.348388 0.514441 1.2061e-16 4 63.546 2.25595 -3.49445 63.546000 Cu 0.447725 0.515417 0.5 6 63.546 8.23247 -3.40366 63.546000 Cu 0.332409 0.488269 0.5 7 63.546 0.581724 -3.45093 63.546000 Cu 0.418689 0.482801 1.22663e-16 204 63.546 0.912237 -3.39596 63.546000 Cu 0.514046 0.476281 0.5 1 63.546 0.766016 -3.44473 63.546000 Cu 0.65074 0.514559 6.02931e-16 10 63.546 6.66127 -3.23237 63.546000 Cu 0.615938 0.47109 6.64021e-17 382 63.546 0.0560449 -3.51432 63.546000 Cu 0.532041 0.498719 3.69196e-16 402 63.546 9.24311 -3.28769 63.546000 Cu 0.631631 0.49371 0.5 403 63.546 3.74943 -3.42466 63.546000 Cu 0.737643 0.490112 1.23508e-16 404 63.546 0.58392 -3.48411 63.546000 Cu 0.747249 0.514517 0.5 12 63.546 1.10359 -3.49552 63.546000 Cu 0.848388 0.514441 1 14 63.546 2.25595 -3.49445 63.546000 Cu 0.947725 0.515417 0.5 16 63.546 8.23247 -3.40366 63.546000 Cu 0.832409 0.488269 0.5 405 63.546 0.581724 -3.45093 63.546000 Cu 0.918689 0.482801 4.1785e-16 406 63.546 0.912237 -3.39596 63.546000 Cu 0.0342385 0.530746 6.13917e-16 18 63.546 8.93808 -3.28076 63.546000 Cu 0.117882 0.5582 1.61055e-16 19 63.546 0.0653689 -3.51214 63.546000 Cu 0.133388 0.535587 0.5 20 63.546 3.57668 -3.42778 63.546000 Cu 0.0153485 0.552905 0.5 21 63.546 0.603658 -3.44869 63.546000 Cu 0.216832 0.562518 0.5 25 63.546 0.122966 -3.51895 63.546000 Cu 0.0975658 0.581371 0.5 40 63.546 0.0232327 -3.52652 63.546000 Cu 0.194875 0.586533 0 42 63.546 0.00810294 -3.51991 63.546000 Cu 0.238571 0.538951 2.19731e-16 22 63.546 0.567652 -3.48943 63.546000 Cu 0.311068 0.567165 1 23 63.546 0.0940468 -3.49069 63.546000 Cu 0.333198 0.540701 0.5 24 63.546 0.479362 -3.45993 63.546000 Cu 0.419667 0.546028 2.18523e-17 26 63.546 0.678712 -3.41601 63.546000 Cu 0.403033 0.571503 0.5 27 63.546 0.0781529 -3.50095 63.546000 Cu 0.49925 0.57626 2.32045e-16 28 63.546 0.0477895 -3.52511 63.546000 Cu 0.534238 0.530746 2.45567e-16 8 63.546 8.93808 -3.28076 63.546000 Cu 0.633388 0.535587 0.5 13 63.546 3.57668 -3.42778 63.546000 Cu 0.515349 0.552905 0.5 29 63.546 0.603658 -3.44869 63.546000 Cu 0.617882 0.5582 1 30 63.546 0.0653689 -3.51214 63.546000 Cu 0.694875 0.586533 7.28008e-17 31 63.546 0.00810294 -3.51991 63.546000 Cu 0.716832 0.562518 0.5 32 63.546 0.122966 -3.51895 63.546000 Cu 0.597566 0.581371 0.5 33 63.546 0.0232327 -3.52652 63.546000 Cu 0.738571 0.538951 4.33787e-16 11 63.546 0.567652 -3.48943 63.546000 Cu 0.99925 0.57626 2.32045e-16 38 63.546 0.0477895 -3.52511 63.546000 Cu 0.919667 0.546028 3.9467e-16 15 63.546 0.678712 -3.41601 63.546000 Cu 0.833198 0.540701 0.5 17 63.546 0.479362 -3.45993 63.546000 Cu 0.811068 0.567165 1.81097e-18 34 63.546 0.0940468 -3.49069 63.546000 Cu 0.903033 0.571503 0.5 36 63.546 0.0781529 -3.50095 63.546000 Cu 0.0778971 0.605289 1.25077e-16 39 63.546 0.00780638 -3.5249 63.546000 Cu 0.174281 0.610419 0.5 45 63.546 0.0014024 -3.52114 63.546000 Cu 0.058736 0.629492 0.5 60 63.546 0.00170236 -3.52182 63.546000 Cu 0.154788 0.6344 1 62 63.546 0.00131815 -3.52228 63.546000 Cu 0.270844 0.615452 1 43 63.546 0.0023244 -3.51962 63.546000 Cu 0.290457 0.591523 0.5 44 63.546 0.0195145 -3.51259 63.546000 Cu 0.386103 0.596083 1 46 63.546 0.00916815 -3.51631 63.546000 Cu 0.367217 0.620211 0.5 47 63.546 0.0034135 -3.51977 63.546000 Cu 0.463089 0.624804 1 48 63.546 0.00107609 -3.52053 63.546000 Cu 0.25126 0.639367 0.5 64 63.546 0.000220078 -3.5221 63.546000 Cu 0.347683 0.644238 1 66 63.546 0.000929989 -3.5212 63.546000 Cu 0.481809 0.600462 0.5 49 63.546 0.00748432 -3.52458 63.546000 Cu 0.577897 0.605289 1.44877e-18 50 63.546 0.00780638 -3.5249 63.546000 Cu 0.654788 0.6344 1 51 63.546 0.00131815 -3.52228 63.546000 Cu 0.674281 0.610419 0.5 52 63.546 0.0014024 -3.52114 63.546000 Cu 0.558736 0.629492 0.5 53 63.546 0.00170236 -3.52182 63.546000 Cu 0.981809 0.600462 0.5 41 63.546 0.00748432 -3.52458 63.546000 Cu 0.886103 0.596083 9.65848e-19 35 63.546 0.00916815 -3.51631 63.546000 Cu 0.790457 0.591523 0.5 37 63.546 0.0195145 -3.51259 63.546000 Cu 0.770844 0.615452 1 54 63.546 0.0023244 -3.51962 63.546000 Cu 0.847683 0.644238 1.23508e-16 55 63.546 0.000929989 -3.5212 63.546000 Cu 0.867217 0.620211 0.5 56 63.546 0.0034135 -3.51977 63.546000 Cu 0.75126 0.639367 0.5 57 63.546 0.000220078 -3.5221 63.546000 Cu 0.963089 0.624804 2.46291e-16 58 63.546 0.00107609 -3.52053 63.546000 Cu 0.039534 0.653702 3.01707e-16 59 63.546 0.000175716 -3.52078 63.546000 Cu 0.135455 0.658494 0.5 65 63.546 0.000607148 -3.52195 63.546000 Cu 0.0010338 0.701955 1 79 63.546 0.000200205 -3.52112 63.546000 Cu 0.0202617 0.677856 0.5 80 63.546 0.000145324 -3.52085 63.546000 Cu 0.116266 0.682623 1 82 63.546 5.52816e-05 -3.5214 63.546000 Cu 0.212339 0.687422 0.5 84 63.546 0.000261278 -3.5217 63.546000 Cu 0.231675 0.66336 0 63 63.546 0.000349743 -3.52209 63.546000 Cu 0.424268 0.673081 4.82924e-19 67 63.546 0.000404222 -3.52086 63.546000 Cu 0.443744 0.648989 0.5 68 63.546 0.000691134 -3.52021 63.546000 Cu 0.328038 0.668244 0.5 69 63.546 7.97342e-05 -3.52154 63.546000 Cu 0.308523 0.692265 6.03655e-19 86 63.546 0.000155558 -3.52161 63.546000 Cu 0.404786 0.697124 0.5 88 63.546 3.43949e-05 -3.52135 63.546000 Cu 0.539534 0.653702 1 70 63.546 0.000175716 -3.52078 63.546000 Cu 0.616266 0.682623 6.53155e-17 71 63.546 5.52816e-05 -3.5214 63.546000 Cu 0.635455 0.658494 0.5 72 63.546 0.000607148 -3.52195 63.546000 Cu 0.520262 0.677856 0.5 73 63.546 0.000145324 -3.52085 63.546000 Cu 0.712339 0.687422 0.5 77 63.546 0.000261278 -3.5217 63.546000 Cu 0.501034 0.701955 1.24474e-16 90 63.546 0.000200205 -3.52112 63.546000 Cu 0.731675 0.66336 1 74 63.546 0.000349743 -3.52209 63.546000 Cu 0.943744 0.648989 0.5 61 63.546 0.000691134 -3.52021 63.546000 Cu 0.808523 0.692265 1 75 63.546 0.000155558 -3.52161 63.546000 Cu 0.828038 0.668244 0.5 76 63.546 7.97342e-05 -3.52154 63.546000 Cu 0.924268 0.673081 0 78 63.546 0.000404222 -3.52086 63.546000 Cu 0.904786 0.697124 0.5 81 63.546 3.43949e-05 -3.52135 63.546000 Cu 0.193119 0.711538 1.24594e-16 83 63.546 1.70488e-05 -3.52146 63.546000 Cu 0.0970985 0.70675 0.5 85 63.546 7.69167e-05 -3.52117 63.546000 Cu 0.0777513 0.730841 1.32804e-18 102 63.546 6.13826e-05 -3.5212 63.546000 Cu 0.154457 0.759738 2.46774e-16 103 63.546 2.6164e-05 -3.52137 63.546000 Cu 0.173864 0.735645 0.5 104 63.546 4.37083e-05 -3.5213 63.546000 Cu 0.0583118 0.754911 0.5 105 63.546 1.51967e-05 -3.52137 63.546000 Cu 0.385402 0.721171 4.94997e-18 87 63.546 3.63619e-05 -3.52158 63.546000 Cu 0.289228 0.716342 0.5 89 63.546 7.17916e-05 -3.52155 63.546000 Cu 0.269913 0.740436 7.24386e-19 106 63.546 1.72827e-05 -3.52134 63.546000 Cu 0.366001 0.745244 0.5 108 63.546 5.12992e-05 -3.52147 63.546000 Cu 0.250558 0.764546 0.5 109 63.546 1.2841e-05 -3.52134 63.546000 Cu 0.462146 0.750074 6.78508e-17 111 63.546 1.69681e-05 -3.52147 63.546000 Cu 0.481621 0.726016 0.5 93 63.546 3.40338e-05 -3.52136 63.546000 Cu 0.577751 0.730841 0 91 63.546 6.13826e-05 -3.5212 63.546000 Cu 0.597099 0.70675 0.5 92 63.546 7.69167e-05 -3.52117 63.546000 Cu 0.693119 0.711538 0 94 63.546 1.70488e-05 -3.52146 63.546000 Cu 0.673864 0.735645 0.5 97 63.546 4.37083e-05 -3.5213 63.546000 Cu 0.558312 0.754911 0.5 113 63.546 1.51967e-05 -3.52137 63.546000 Cu 0.654457 0.759738 1.22301e-16 114 63.546 2.6164e-05 -3.52137 63.546000 Cu 0.981621 0.726016 0.5 100 63.546 3.40338e-05 -3.52136 63.546000 Cu 0.769913 0.740436 7.98032e-17 95 63.546 1.72827e-05 -3.52134 63.546000 Cu 0.789228 0.716342 0.5 96 63.546 7.17916e-05 -3.52155 63.546000 Cu 0.885402 0.721171 1 98 63.546 3.63619e-05 -3.52158 63.546000 Cu 0.962146 0.750074 1 99 63.546 1.69681e-05 -3.52147 63.546000 Cu 0.866001 0.745244 0.5 101 63.546 5.12992e-05 -3.52147 63.546000 Cu 0.750558 0.764546 0.5 116 63.546 1.2841e-05 -3.52134 63.546000 Cu 0.0389452 0.778982 1 122 63.546 6.75291e-06 -3.52151 63.546000 Cu 0.115712 0.807912 1 123 63.546 6.23938e-05 -3.52168 63.546000 Cu 0.135074 0.783824 0.5 124 63.546 2.21953e-05 -3.52159 63.546000 Cu 0.0195234 0.803054 0.5 125 63.546 5.21484e-05 -3.52148 63.546000 Cu 0.211946 0.812748 0.5 129 63.546 7.69788e-05 -3.52177 63.546000 Cu 0.231229 0.788648 9.65848e-19 126 63.546 2.63755e-05 -3.52153 63.546000 Cu 0.346624 0.769336 6.5557e-17 107 63.546 3.73398e-05 -3.52132 63.546000 Cu 0.44277 0.774141 0.5 110 63.546 5.59766e-05 -3.52144 63.546000 Cu 0.308053 0.817558 1 127 63.546 4.48863e-05 -3.52138 63.546000 Cu 0.327345 0.793448 0.5 128 63.546 8.72022e-06 -3.52124 63.546000 Cu 0.423388 0.798229 9.41702e-18 130 63.546 9.31757e-05 -3.52134 63.546000 Cu 0.404092 0.822345 0.5 131 63.546 8.47579e-05 -3.52121 63.546000 Cu 0.538945 0.778982 1 112 63.546 6.75291e-06 -3.52151 63.546000 Cu 0.635074 0.783824 0.5 117 63.546 2.21953e-05 -3.52159 63.546000 Cu 0.519523 0.803054 0.5 133 63.546 5.21484e-05 -3.52148 63.546000 Cu 0.615712 0.807912 3.0388e-16 134 63.546 6.23938e-05 -3.52168 63.546000 Cu 0.711946 0.812748 0.5 136 63.546 7.69788e-05 -3.52177 63.546000 Cu 0.731229 0.788648 3.98412e-17 115 63.546 2.63755e-05 -3.52153 63.546000 Cu 0.846624 0.769336 3.62193e-19 118 63.546 3.73398e-05 -3.52132 63.546000 Cu 0.923388 0.798229 2.75267e-17 119 63.546 9.31757e-05 -3.52134 63.546000 Cu 0.94277 0.774141 0.5 120 63.546 5.59766e-05 -3.52144 63.546000 Cu 0.827345 0.793448 0.5 121 63.546 8.72022e-06 -3.52124 63.546000 Cu 0.808053 0.817558 0 138 63.546 4.48863e-05 -3.52138 63.546000 Cu 0.904092 0.822345 0.5 140 63.546 8.47579e-05 -3.52121 63.546000 Cu 0.000212096 0.827125 1.22301e-16 142 63.546 0.000168318 -3.5211 63.546000 Cu 0.0771453 0.856004 1.29182e-16 143 63.546 0.000318248 -3.52103 63.546000 Cu 0.0964097 0.831957 0.5 144 63.546 6.10922e-05 -3.52134 63.546000 Cu 0.192727 0.836836 5.84459e-16 146 63.546 0.000149667 -3.52173 63.546000 Cu 0.173409 0.86087 0.5 149 63.546 4.45306e-05 -3.52171 63.546000 Cu 0.0578245 0.880089 0.5 164 63.546 0.000750283 -3.52037 63.546000 Cu 0.269802 0.865754 1 147 63.546 0.000376359 -3.52204 63.546000 Cu 0.288914 0.841682 0.5 148 63.546 0.00024551 -3.52158 63.546000 Cu 0.384996 0.846466 1 150 63.546 4.22587e-05 -3.52116 63.546000 Cu 0.366022 0.870592 0.5 151 63.546 0.000463654 -3.52156 63.546000 Cu 0.461943 0.87535 1.23387e-16 152 63.546 0.000149122 -3.5205 63.546000 Cu 0.481051 0.851213 0.5 153 63.546 0.000178408 -3.52076 63.546000 Cu 0.500212 0.827125 1 132 63.546 0.000168318 -3.5211 63.546000 Cu 0.692727 0.836836 1 135 63.546 0.000149667 -3.52173 63.546000 Cu 0.59641 0.831957 0.5 137 63.546 6.10922e-05 -3.52134 63.546000 Cu 0.577145 0.856004 1 154 63.546 0.000318248 -3.52103 63.546000 Cu 0.673409 0.86087 0.5 156 63.546 4.45306e-05 -3.52171 63.546000 Cu 0.557825 0.880089 0.5 157 63.546 0.000750283 -3.52037 63.546000 Cu 0.981051 0.851213 0.5 145 63.546 0.000178408 -3.52076 63.546000 Cu 0.884996 0.846466 1 139 63.546 4.22587e-05 -3.52116 63.546000 Cu 0.788914 0.841682 0.5 141 63.546 0.00024551 -3.52158 63.546000 Cu 0.769802 0.865754 1 158 63.546 0.000376359 -3.52204 63.546000 Cu 0.866022 0.870592 0.5 160 63.546 0.000463654 -3.52156 63.546000 Cu 0.961943 0.87535 1 162 63.546 0.000149122 -3.5205 63.546000 Cu 0.0385974 0.90425 1.26164e-16 163 63.546 0.00136094 -3.5205 63.546000 Cu 0.154014 0.884876 1 166 63.546 0.000624296 -3.52143 63.546000 Cu 0.134636 0.908877 0.5 169 63.546 0.00301088 -3.52013 63.546000 Cu 0.0199654 0.92858 0.5 184 63.546 0.00494592 -3.5242 63.546000 Cu 0.115696 0.932958 0 186 63.546 0.00975312 -3.51671 63.546000 Cu 0.211545 0.937575 0.5 188 63.546 0.0184612 -3.51325 63.546000 Cu 0.231142 0.913665 1.20731e-19 167 63.546 0.00204433 -3.51999 63.546000 Cu 0.250561 0.889759 0.5 168 63.546 0.00027793 -3.52208 63.546000 Cu 0.347017 0.8947 3.69316e-16 170 63.546 0.00164207 -3.52198 63.546000 Cu 0.423943 0.92382 1 171 63.546 0.00753797 -3.52468 63.546000 Cu 0.442998 0.899569 0.5 172 63.546 0.0011504 -3.52142 63.546000 Cu 0.327695 0.918718 0.5 173 63.546 0.00197876 -3.5213 63.546000 Cu 0.654014 0.884876 0 155 63.546 0.000624296 -3.52143 63.546000 Cu 0.538597 0.90425 1.22059e-16 174 63.546 0.00136094 -3.5205 63.546000 Cu 0.615696 0.932958 1 175 63.546 0.00975312 -3.51671 63.546000 Cu 0.634636 0.908877 0.5 176 63.546 0.00301088 -3.52013 63.546000 Cu 0.519965 0.92858 0.5 177 63.546 0.00494592 -3.5242 63.546000 Cu 0.711545 0.937575 0.5 181 63.546 0.0184612 -3.51325 63.546000 Cu 0.731142 0.913665 1 178 63.546 0.00204433 -3.51999 63.546000 Cu 0.847017 0.8947 4.82924e-19 159 63.546 0.00164207 -3.52198 63.546000 Cu 0.750561 0.889759 0.5 161 63.546 0.00027793 -3.52208 63.546000 Cu 0.942998 0.899569 0.5 165 63.546 0.0011504 -3.52142 63.546000 Cu 0.827695 0.918718 0.5 180 63.546 0.00197876 -3.5213 63.546000 Cu 0.923943 0.92382 1 182 63.546 0.00753797 -3.52468 63.546000 Cu 0.00246611 0.952814 1 183 63.546 0.039139 -3.52483 63.546000 Cu 0.190666 0.961855 2.2456e-17 187 63.546 0.098241 -3.48976 63.546000 Cu 0.0984827 0.957485 0.5 189 63.546 0.0719467 -3.50076 63.546000 Cu 0.0816425 0.982822 1.21938e-16 205 63.546 0.922269 -3.39557 63.546000 Cu 0.167831 0.988284 0.5 206 63.546 0.588264 -3.44996 63.546000 Cu 0.368432 0.993639 0.5 234 63.546 3.7273 -3.42453 63.546000 Cu 0.468171 0.998698 9.65848e-19 209 63.546 9.24926 -3.28619 63.546000 Cu 0.307155 0.942658 2.45688e-16 190 63.546 0.00629053 -3.52077 63.546000 Cu 0.384264 0.971063 4.91375e-16 191 63.546 0.0551098 -3.51372 63.546000 Cu 0.404397 0.947798 0.5 192 63.546 0.0223049 -3.52695 63.546000 Cu 0.285121 0.966642 0.5 193 63.546 0.117368 -3.51889 63.546000 Cu 0.262519 0.990056 3.86098e-16 207 63.546 0.596823 -3.48473 63.546000 Cu 0.486216 0.976276 0.5 197 63.546 0.772589 -3.44406 63.546000 Cu 0.502466 0.952814 1.23991e-16 194 63.546 0.039139 -3.52483 63.546000 Cu 0.581643 0.982822 3.62193e-19 195 63.546 0.922269 -3.39557 63.546000 Cu 0.598483 0.957485 0.5 196 63.546 0.0719467 -3.50076 63.546000 Cu 0.690666 0.961855 2.45929e-16 198 63.546 0.098241 -3.48976 63.546000 Cu 0.667831 0.988284 0.5 201 63.546 0.588264 -3.44996 63.546000 Cu 0.968171 0.998698 1 214 63.546 9.24926 -3.28619 63.546000 Cu 0.868432 0.993639 0.5 215 63.546 3.7273 -3.42453 63.546000 Cu 0.986216 0.976276 0.5 203 63.546 0.772589 -3.44406 63.546000 Cu 0.807155 0.942658 1 179 63.546 0.00629053 -3.52077 63.546000 Cu 0.904397 0.947798 0.5 185 63.546 0.0223049 -3.52695 63.546000 Cu 0.762519 0.990056 3.62193e-19 199 63.546 0.596823 -3.48473 63.546000 Cu 0.785121 0.966642 0.5 200 63.546 0.117368 -3.51889 63.546000 Cu 0.884264 0.971063 1 202 63.546 0.0551098 -3.51372