Number of particles = 404 A = 1 Angstrom (basic length-scale) H0(1,1) = 14.8736 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 89.4374 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60831 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 0.103471 0.0226025 0.5 219 63.546 0.547839 -3.4429 63.546000 Cu 0.212269 0.0185315 2.40379e-19 221 63.546 0.668974 -3.47635 63.546000 Cu 0.247085 0.0384578 0.5 224 63.546 0.0399722 -3.53266 63.546000 Cu 0.364533 0.0337331 5.93736e-17 222 63.546 0.0684311 -3.53786 63.546000 Cu 0.33798 0.014674 0.5 223 63.546 2.95148 -3.4646 63.546000 Cu 0.458877 0.0104921 5.93736e-17 225 63.546 9.07438 -3.30341 63.546000 Cu 0.488129 0.0285856 0.5 228 63.546 0.496617 -3.47947 63.546000 Cu 0.712269 0.0185315 0.5 209 63.546 0.668974 -3.47635 63.546000 Cu 0.603471 0.0226025 7.24743e-17 226 63.546 0.547839 -3.4429 63.546000 Cu 0.747085 0.0384578 9.05027e-17 213 63.546 0.0399722 -3.53266 63.546000 Cu 0.988129 0.0285856 0 217 63.546 0.496617 -3.47947 63.546000 Cu 0.83798 0.014674 3.99991e-16 208 63.546 2.95148 -3.4646 63.546000 Cu 0.958877 0.0104921 0.5 211 63.546 9.07438 -3.30341 63.546000 Cu 0.864533 0.0337331 0.5 215 63.546 0.0684311 -3.53786 63.546000 Cu 0.131643 0.0433793 5.93736e-17 218 63.546 0.0379151 -3.52129 63.546000 Cu 0.0145934 0.0479408 0.5 220 63.546 0.0251598 -3.54527 63.546000 Cu 0.043305 0.0678534 1 235 63.546 0.00135086 -3.5404 63.546000 Cu 0.160736 0.0630999 0.5 237 63.546 0.00398668 -3.53669 63.546000 Cu 0.278308 0.0582039 5.93736e-17 239 63.546 0.00430936 -3.53644 63.546000 Cu 0.426241 0.0727052 5.93736e-17 240 63.546 0.00273343 -3.54139 63.546000 Cu 0.396396 0.0530046 0.5 241 63.546 0.0113537 -3.5448 63.546000 Cu 0.308612 0.0777496 0.5 242 63.546 0.00085417 -3.54031 63.546000 Cu 0.514593 0.0479408 5.93736e-17 243 63.546 0.0251598 -3.54527 63.546000 Cu 0.660736 0.0630999 5.93736e-17 244 63.546 0.00398668 -3.53669 63.546000 Cu 0.631643 0.0433793 0.5 245 63.546 0.0379151 -3.52129 63.546000 Cu 0.543305 0.0678534 0.5 246 63.546 0.00135086 -3.5404 63.546000 Cu 0.896396 0.0530046 6.99503e-17 214 63.546 0.0113537 -3.5448 63.546000 Cu 0.778308 0.0582039 0.5 216 63.546 0.00430936 -3.53644 63.546000 Cu 0.808612 0.0777496 6.05755e-17 231 63.546 0.00085417 -3.54031 63.546000 Cu 0.926241 0.0727052 0.5 233 63.546 0.00273343 -3.54139 63.546000 Cu 0.190605 0.0827347 0 236 63.546 0.000608344 -3.53965 63.546000 Cu 0.0729979 0.0876303 0.5 238 63.546 0.00067252 -3.53892 63.546000 Cu 0.103036 0.107335 6.35803e-17 253 63.546 0.000148577 -3.53962 63.546000 Cu 0.220632 0.102382 0.5 255 63.546 7.71333e-05 -3.54048 63.546000 Cu 0.33826 0.0974142 2.40379e-19 257 63.546 0.000352972 -3.54083 63.546000 Cu 0.455738 0.0925017 0.5 259 63.546 0.000204893 -3.53967 63.546000 Cu 0.367996 0.117139 0.5 260 63.546 4.08861e-05 -3.54012 63.546000 Cu 0.485506 0.112238 5.93736e-17 258 63.546 5.55769e-05 -3.53959 63.546000 Cu 0.720632 0.102382 5.15613e-17 229 63.546 7.71333e-05 -3.54048 63.546000 Cu 0.690605 0.0827347 0.5 230 63.546 0.000608344 -3.53965 63.546000 Cu 0.572998 0.0876303 1.15983e-16 261 63.546 0.00067252 -3.53892 63.546000 Cu 0.603036 0.107335 0.5 262 63.546 0.000148577 -3.53962 63.546000 Cu 0.985506 0.112238 0.5 251 63.546 5.55769e-05 -3.53959 63.546000 Cu 0.955738 0.0925017 5.5768e-17 232 63.546 0.000204893 -3.53967 63.546000 Cu 0.83826 0.0974142 0.5 234 63.546 0.000352972 -3.54083 63.546000 Cu 0.867996 0.117139 1.48915e-16 249 63.546 4.08861e-05 -3.54012 63.546000 Cu 0.0153221 0.13194 1.21391e-16 250 63.546 2.97552e-05 -3.53974 63.546000 Cu 0.132871 0.127015 0.5 256 63.546 2.05835e-05 -3.53994 63.546000 Cu 0.0450455 0.151634 0.5 269 63.546 3.14538e-05 -3.53987 63.546000 Cu 0.162585 0.146699 5.28834e-18 271 63.546 7.96205e-06 -3.53999 63.546000 Cu 0.250512 0.122077 1.29444e-16 254 63.546 6.54015e-05 -3.54027 63.546000 Cu 0.280218 0.14177 0.5 273 63.546 3.14259e-05 -3.54 63.546000 Cu 0.397778 0.136856 2.2836e-17 275 63.546 2.64482e-05 -3.53982 63.546000 Cu 0.42741 0.156555 0.5 278 63.546 8.30021e-06 -3.53989 63.546000 Cu 0.545045 0.151634 0 276 63.546 3.14538e-05 -3.53987 63.546000 Cu 0.515322 0.13194 0.5 277 63.546 2.97552e-05 -3.53974 63.546000 Cu 0.632871 0.127015 5.66093e-17 279 63.546 2.05835e-05 -3.53994 63.546000 Cu 0.662585 0.146699 0.5 280 63.546 7.96205e-06 -3.53999 63.546000 Cu 0.780218 0.14177 5.93736e-17 247 63.546 3.14259e-05 -3.54 63.546000 Cu 0.750512 0.122077 0.5 248 63.546 6.54015e-05 -3.54027 63.546000 Cu 0.897778 0.136856 0.5 252 63.546 2.64482e-05 -3.53982 63.546000 Cu 0.92741 0.156555 1.79563e-16 267 63.546 8.30021e-06 -3.53989 63.546000 Cu 0.0746289 0.171319 1.2019e-19 268 63.546 3.75374e-06 -3.53998 63.546000 Cu 0.192249 0.166393 0.5 274 63.546 3.70241e-06 -3.53998 63.546000 Cu 0.104278 0.191004 0.5 287 63.546 5.19745e-06 -3.54003 63.546000 Cu 0.221906 0.186081 0 289 63.546 7.06613e-06 -3.53998 63.546000 Cu 0.30984 0.161468 6.00948e-18 272 63.546 4.96505e-06 -3.53987 63.546000 Cu 0.339433 0.181165 0.5 291 63.546 1.50884e-05 -3.53984 63.546000 Cu 0.457007 0.176247 4.73547e-17 293 63.546 2.5259e-05 -3.53993 63.546000 Cu 0.486713 0.19593 0.5 296 63.546 1.50793e-06 -3.53984 63.546000 Cu 0.692249 0.166393 5.93736e-17 263 63.546 3.70241e-06 -3.53998 63.546000 Cu 0.721906 0.186081 0.5 266 63.546 7.06613e-06 -3.53998 63.546000 Cu 0.604278 0.191004 5.93736e-17 294 63.546 5.19745e-06 -3.54003 63.546000 Cu 0.574629 0.171319 0.5 295 63.546 3.75374e-06 -3.53998 63.546000 Cu 0.839433 0.181165 4.59124e-17 264 63.546 1.50884e-05 -3.53984 63.546000 Cu 0.80984 0.161468 0.5 265 63.546 4.96505e-06 -3.53987 63.546000 Cu 0.957007 0.176247 0.5 270 63.546 2.5259e-05 -3.53993 63.546000 Cu 0.986713 0.19593 2.04322e-18 285 63.546 1.50793e-06 -3.53984 63.546000 Cu 0.133962 0.210691 1.59011e-16 286 63.546 4.56484e-06 -3.54007 63.546000 Cu 0.0163926 0.215612 0.5 288 63.546 1.68901e-05 -3.54002 63.546000 Cu 0.0459364 0.2353 3.39295e-16 303 63.546 2.28508e-05 -3.54003 63.546000 Cu 0.163566 0.230378 0.5 305 63.546 2.24896e-05 -3.54001 63.546000 Cu 0.36917 0.200852 5.93736e-17 290 63.546 1.59403e-05 -3.53997 63.546000 Cu 0.251517 0.20577 0.5 292 63.546 8.58229e-06 -3.54011 63.546000 Cu 0.281209 0.225456 1.18867e-16 307 63.546 2.69904e-05 -3.54 63.546000 Cu 0.398804 0.220534 0.5 309 63.546 1.65266e-05 -3.53995 63.546000 Cu 0.516393 0.215612 6.44216e-17 311 63.546 1.68901e-05 -3.54002 63.546000 Cu 0.663566 0.230378 7.42772e-17 312 63.546 2.24896e-05 -3.54001 63.546000 Cu 0.633962 0.210691 0.5 313 63.546 4.56484e-06 -3.54007 63.546000 Cu 0.545936 0.2353 0.5 314 63.546 2.28508e-05 -3.54003 63.546000 Cu 0.751517 0.20577 4.59124e-17 281 63.546 8.58229e-06 -3.54011 63.546000 Cu 0.898804 0.220534 1.2019e-19 282 63.546 1.65266e-05 -3.53995 63.546000 Cu 0.86917 0.200852 0.5 283 63.546 1.59403e-05 -3.53997 63.546000 Cu 0.781209 0.225456 0.5 284 63.546 2.69904e-05 -3.54 63.546000 Cu 0.193088 0.250044 1.81486e-16 304 63.546 3.19034e-05 -3.53968 63.546000 Cu 0.0754418 0.254965 0.5 306 63.546 3.57255e-05 -3.53977 63.546000 Cu 0.104772 0.274625 2.23192e-16 321 63.546 3.03623e-05 -3.53998 63.546000 Cu 0.222456 0.269708 0.5 323 63.546 3.52207e-05 -3.5398 63.546000 Cu 0.42833 0.240216 1.77881e-17 308 63.546 1.84402e-05 -3.54001 63.546000 Cu 0.310733 0.245131 0.5 310 63.546 4.03968e-05 -3.53984 63.546000 Cu 0.340046 0.264809 3.60569e-17 325 63.546 1.24003e-05 -3.53979 63.546000 Cu 0.457742 0.259895 0.5 327 63.546 3.08485e-05 -3.53993 63.546000 Cu 0.487045 0.279557 1.37377e-16 326 63.546 1.35686e-05 -3.53986 63.546000 Cu 0.722456 0.269708 1.36896e-16 297 63.546 3.52207e-05 -3.5398 63.546000 Cu 0.693088 0.250044 0.5 298 63.546 3.19034e-05 -3.53968 63.546000 Cu 0.575442 0.254965 4.06241e-17 329 63.546 3.57255e-05 -3.53977 63.546000 Cu 0.604772 0.274625 0.5 330 63.546 3.03623e-05 -3.53998 63.546000 Cu 0.987045 0.279557 0.5 319 63.546 1.35686e-05 -3.53986 63.546000 Cu 0.810733 0.245131 7.89645e-17 299 63.546 4.03968e-05 -3.53984 63.546000 Cu 0.957742 0.259895 7.1032e-17 300 63.546 3.08485e-05 -3.53993 63.546000 Cu 0.92833 0.240216 0.5 301 63.546 1.84402e-05 -3.54001 63.546000 Cu 0.840046 0.264809 0.5 302 63.546 1.24003e-05 -3.53979 63.546000 Cu 0.016433 0.299228 1.2019e-19 318 63.546 1.14003e-05 -3.54005 63.546000 Cu 0.134097 0.294308 0.5 324 63.546 8.35317e-06 -3.54005 63.546000 Cu 0.0458285 0.318917 0.5 337 63.546 6.73716e-06 -3.53995 63.546000 Cu 0.163496 0.313992 5.93736e-17 339 63.546 6.8506e-06 -3.53989 63.546000 Cu 0.251746 0.289398 2.40379e-19 322 63.546 1.16951e-05 -3.53988 63.546000 Cu 0.369399 0.284482 0.5 328 63.546 1.14998e-05 -3.53977 63.546000 Cu 0.281135 0.309073 0.5 341 63.546 1.3505e-05 -3.53983 63.546000 Cu 0.398785 0.304156 5.93736e-17 343 63.546 4.87444e-06 -3.53988 63.546000 Cu 0.545828 0.318917 3.60569e-19 344 63.546 6.73716e-06 -3.53995 63.546000 Cu 0.516433 0.299228 0.5 345 63.546 1.14003e-05 -3.54005 63.546000 Cu 0.634097 0.294308 2.40379e-19 347 63.546 8.35317e-06 -3.54005 63.546000 Cu 0.663496 0.313992 0.5 348 63.546 6.8506e-06 -3.53989 63.546000 Cu 0.781135 0.309073 5.93736e-17 315 63.546 1.3505e-05 -3.53983 63.546000 Cu 0.751746 0.289398 0.5 316 63.546 1.16951e-05 -3.53988 63.546000 Cu 0.869399 0.284482 2.39778e-16 317 63.546 1.14998e-05 -3.53977 63.546000 Cu 0.898785 0.304156 0.5 320 63.546 4.87444e-06 -3.53988 63.546000 Cu 0.0752979 0.338598 1.28242e-16 336 63.546 3.75528e-05 -3.53977 63.546000 Cu 0.19289 0.33369 0.5 342 63.546 1.0573e-05 -3.53991 63.546000 Cu 0.104796 0.358301 0.5 355 63.546 3.65711e-05 -3.53973 63.546000 Cu 0.222293 0.353394 1.40982e-16 357 63.546 4.51195e-05 -3.53996 63.546000 Cu 0.310529 0.328769 6.4662e-17 340 63.546 6.5754e-06 -3.54024 63.546000 Cu 0.42818 0.323839 0.5 346 63.546 1.12149e-05 -3.54011 63.546000 Cu 0.339952 0.348473 0.5 359 63.546 5.78262e-05 -3.54019 63.546000 Cu 0.457637 0.343533 1.88097e-16 361 63.546 1.17563e-05 -3.53998 63.546000 Cu 0.69289 0.33369 5.93736e-17 331 63.546 1.0573e-05 -3.53991 63.546000 Cu 0.722293 0.353394 0.5 334 63.546 4.51195e-05 -3.53996 63.546000 Cu 0.604796 0.358301 9.55507e-17 362 63.546 3.65711e-05 -3.53973 63.546000 Cu 0.575298 0.338598 0.5 363 63.546 3.75528e-05 -3.53977 63.546000 Cu 0.839952 0.348473 1.85092e-17 332 63.546 5.78262e-05 -3.54019 63.546000 Cu 0.810529 0.328769 0.5 333 63.546 6.5754e-06 -3.54024 63.546000 Cu 0.92818 0.323839 5.93736e-17 335 63.546 1.12149e-05 -3.54011 63.546000 Cu 0.957637 0.343533 0.5 338 63.546 1.17563e-05 -3.53998 63.546000 Cu 0.134153 0.378019 6.52629e-17 354 63.546 5.53732e-05 -3.54007 63.546000 Cu 0.0166138 0.382917 0.5 356 63.546 7.48108e-05 -3.53961 63.546000 Cu 0.163453 0.397746 0.5 373 63.546 0.000536875 -3.54069 63.546000 Cu 0.36949 0.368142 2.51196e-17 358 63.546 1.9102e-05 -3.54 63.546000 Cu 0.251737 0.373097 0.5 360 63.546 0.000132012 -3.54024 63.546000 Cu 0.28124 0.392766 4.435e-17 375 63.546 5.94158e-05 -3.54039 63.546000 Cu 0.399041 0.387813 0.5 377 63.546 0.000271542 -3.5396 63.546000 Cu 0.487174 0.363206 0.5 364 63.546 0.00010673 -3.53974 63.546000 Cu 0.516614 0.382917 5.61285e-17 379 63.546 7.48108e-05 -3.53961 63.546000 Cu 0.663453 0.397746 5.93736e-17 380 63.546 0.000536875 -3.54069 63.546000 Cu 0.634153 0.378019 0.5 381 63.546 5.53732e-05 -3.54007 63.546000 Cu 0.987174 0.363206 7.96857e-17 353 63.546 0.00010673 -3.53974 63.546000 Cu 0.751737 0.373097 1.88698e-17 349 63.546 0.000132012 -3.54024 63.546000 Cu 0.899041 0.387813 0 350 63.546 0.000271542 -3.5396 63.546000 Cu 0.86949 0.368142 0.5 351 63.546 1.9102e-05 -3.54 63.546000 Cu 0.78124 0.392766 0.5 352 63.546 5.94158e-05 -3.54039 63.546000 Cu 0.0458936 0.40266 5.93736e-17 371 63.546 0.000218387 -3.53963 63.546000 Cu 0.192764 0.417393 5.93736e-17 372 63.546 0.00069334 -3.54015 63.546000 Cu 0.0749753 0.422438 0.5 374 63.546 0.00288741 -3.54135 63.546000 Cu 0.222695 0.43693 0.5 391 63.546 0.00450129 -3.53647 63.546000 Cu 0.428517 0.407512 6.74263e-17 376 63.546 0.00064038 -3.53896 63.546000 Cu 0.310851 0.412398 0.5 378 63.546 0.000838481 -3.53968 63.546000 Cu 0.340315 0.432038 1.08892e-16 393 63.546 0.00404915 -3.53664 63.546000 Cu 0.457782 0.427296 0.5 395 63.546 0.00122196 -3.54049 63.546000 Cu 0.722695 0.43693 6.15371e-17 365 63.546 0.00450129 -3.53647 63.546000 Cu 0.692764 0.417393 0.5 366 63.546 0.00069334 -3.54015 63.546000 Cu 0.545894 0.40266 0.5 382 63.546 0.000218387 -3.53963 63.546000 Cu 0.574975 0.422438 1.56246e-18 397 63.546 0.00288741 -3.54135 63.546000 Cu 0.810851 0.412398 1.8365e-16 367 63.546 0.000838481 -3.53968 63.546000 Cu 0.957782 0.427296 6.99503e-17 368 63.546 0.00122196 -3.54049 63.546000 Cu 0.928517 0.407512 0.5 369 63.546 0.00064038 -3.53896 63.546000 Cu 0.840315 0.432038 0.5 370 63.546 0.00404915 -3.53664 63.546000 Cu 0.0123193 0.466531 0 386 63.546 0.52004 -3.47722 63.546000 Cu 0.104482 0.442115 1.98072e-16 389 63.546 0.0106539 -3.54494 63.546000 Cu 0.136064 0.461383 0.5 392 63.546 0.069717 -3.53798 63.546000 Cu 0.396931 0.472536 1.68265e-18 200 63.546 0.576745 -3.43943 63.546000 Cu 0.288238 0.476595 0.5 205 63.546 0.700539 -3.47624 63.546000 Cu 0.25359 0.456674 5.93736e-17 390 63.546 0.0414845 -3.53265 63.546000 Cu 0.369048 0.451755 0.5 396 63.546 0.0388862 -3.52073 63.546000 Cu 0.486154 0.447197 7.11522e-17 394 63.546 0.0262799 -3.54504 63.546000 Cu 0.636064 0.461383 1 2 63.546 0.069717 -3.53798 63.546000 Cu 0.512319 0.466531 0.5 8 63.546 0.52004 -3.47722 63.546000 Cu 0.604482 0.442115 0.5 398 63.546 0.0106539 -3.54494 63.546000 Cu 0.986154 0.447197 0.5 387 63.546 0.0262799 -3.54504 63.546000 Cu 0.788238 0.476595 5.93736e-17 383 63.546 0.700539 -3.47624 63.546000 Cu 0.75359 0.456674 0.5 384 63.546 0.0414845 -3.53265 63.546000 Cu 0.869048 0.451755 1.38218e-16 385 63.546 0.0388862 -3.52073 63.546000 Cu 0.896931 0.472536 0.5 388 63.546 0.576745 -3.43943 63.546000 Cu 0.162643 0.514965 3.57564e-16 3 63.546 2.9146 -3.46445 63.546000 Cu 0.0417744 0.510789 0.5 4 63.546 9.02739 -3.30158 63.546000 Cu 0.188741 0.497675 0.5 204 63.546 7.93501 -3.25813 63.546000 Cu 0.0412922 0.484633 0.5 402 63.546 9.11199 -3.30163 63.546000 Cu 0.162282 0.480404 3.31723e-16 403 63.546 2.95256 -3.46372 63.546000 Cu 0.288353 0.518756 0.5 5 63.546 0.660741 -3.47874 63.546000 Cu 0.435199 0.497868 0.5 6 63.546 8.32537 -3.4766 63.546000 Cu 0.311632 0.497674 4.33884e-17 404 63.546 3.75622 -3.52187 63.546000 Cu 0.662282 0.480404 0.5 1 63.546 2.95256 -3.46372 63.546000 Cu 0.541774 0.510789 1 9 63.546 9.02739 -3.30158 63.546000 Cu 0.662643 0.514965 0.5 11 63.546 2.9146 -3.46445 63.546000 Cu 0.541292 0.484633 5.93736e-17 198 63.546 9.11199 -3.30163 63.546000 Cu 0.688741 0.497675 1 399 63.546 7.93501 -3.25813 63.546000 Cu 0.788353 0.518756 5.93736e-17 13 63.546 0.660741 -3.47874 63.546000 Cu 0.811632 0.497674 0.5 400 63.546 3.75622 -3.52187 63.546000 Cu 0.935199 0.497868 1.87496e-17 401 63.546 8.32537 -3.4766 63.546000 Cu 0.012527 0.528857 1.88698e-17 17 63.546 0.483658 -3.47954 63.546000 Cu 0.104432 0.553235 4.71143e-17 18 63.546 0.0115872 -3.54504 63.546000 Cu 0.136277 0.533988 0.5 19 63.546 0.0712514 -3.53744 63.546000 Cu 0.222551 0.55843 0.5 22 63.546 0.00468967 -3.53628 63.546000 Cu 0.253777 0.538695 5.80516e-17 21 63.546 0.042223 -3.53239 63.546000 Cu 0.397044 0.522829 0 7 63.546 0.529854 -3.4453 63.546000 Cu 0.369077 0.543595 0.5 24 63.546 0.0372507 -3.52118 63.546000 Cu 0.486151 0.548169 0 25 63.546 0.0264171 -3.54548 63.546000 Cu 0.636277 0.533988 5.93736e-17 10 63.546 0.0712514 -3.53744 63.546000 Cu 0.512527 0.528857 0.5 12 63.546 0.483658 -3.47954 63.546000 Cu 0.604432 0.553235 0.5 27 63.546 0.0115872 -3.54504 63.546000 Cu 0.722551 0.55843 5.93736e-17 29 63.546 0.00468967 -3.53628 63.546000 Cu 0.753777 0.538695 0.5 16 63.546 0.042223 -3.53239 63.546000 Cu 0.869077 0.543595 5.93736e-17 14 63.546 0.0372507 -3.52118 63.546000 Cu 0.897044 0.522829 0.5 15 63.546 0.529854 -3.4453 63.546000 Cu 0.986151 0.548169 0.5 20 63.546 0.0264171 -3.54548 63.546000 Cu 0.0452312 0.592686 5.93736e-17 34 63.546 0.000197846 -3.53976 63.546000 Cu 0.0746314 0.572911 0.5 35 63.546 0.00288266 -3.54159 63.546000 Cu 0.19229 0.577958 1.2019e-19 37 63.546 0.000818511 -3.5403 63.546000 Cu 0.162702 0.597599 0.5 39 63.546 0.000502533 -3.54083 63.546000 Cu 0.340058 0.56332 5.93736e-17 23 63.546 0.00413866 -3.53663 63.546000 Cu 0.457479 0.568066 0.5 28 63.546 0.00114238 -3.5408 63.546000 Cu 0.310276 0.582944 0.5 40 63.546 0.000671277 -3.53966 63.546000 Cu 0.427906 0.587829 5.93736e-17 41 63.546 0.000587674 -3.53911 63.546000 Cu 0.574631 0.572911 5.93736e-17 26 63.546 0.00288266 -3.54159 63.546000 Cu 0.69229 0.577958 0.5 32 63.546 0.000818511 -3.5403 63.546000 Cu 0.545231 0.592686 0.5 43 63.546 0.000197846 -3.53976 63.546000 Cu 0.662702 0.597599 2.37855e-16 45 63.546 0.000502533 -3.54083 63.546000 Cu 0.810276 0.582944 5.709e-17 30 63.546 0.000671277 -3.53966 63.546000 Cu 0.840058 0.56332 0.5 31 63.546 0.00413866 -3.53663 63.546000 Cu 0.957479 0.568066 5.93736e-17 33 63.546 0.00114238 -3.5408 63.546000 Cu 0.927906 0.587829 0.5 36 63.546 0.000587674 -3.53911 63.546000 Cu 0.0157845 0.612411 0.5 51 63.546 0.000152522 -3.53952 63.546000 Cu 0.133337 0.617296 1 53 63.546 6.43741e-05 -3.54 63.546000 Cu 0.104057 0.636986 0.5 56 63.546 4.25512e-05 -3.53967 63.546000 Cu 0.250954 0.622213 0.5 55 63.546 0.000115171 -3.54007 63.546000 Cu 0.280473 0.602566 2.40379e-19 38 63.546 8.09373e-05 -3.54044 63.546000 Cu 0.398181 0.607508 0.5 44 63.546 0.000211642 -3.53957 63.546000 Cu 0.368687 0.627152 0 57 63.546 1.54928e-05 -3.53969 63.546000 Cu 0.486392 0.632075 0.5 59 63.546 3.50666e-05 -3.53956 63.546000 Cu 0.515785 0.612411 6.55033e-17 42 63.546 0.000152522 -3.53952 63.546000 Cu 0.633337 0.617296 0.5 48 63.546 6.43741e-05 -3.54 63.546000 Cu 0.604057 0.636986 1.40381e-16 61 63.546 4.25512e-05 -3.53967 63.546000 Cu 0.750954 0.622213 2.57085e-16 46 63.546 0.000115171 -3.54007 63.546000 Cu 0.780473 0.602566 0.5 47 63.546 8.09373e-05 -3.54044 63.546000 Cu 0.898181 0.607508 1.50237e-17 49 63.546 0.000211642 -3.53957 63.546000 Cu 0.986392 0.632075 5.93736e-17 50 63.546 3.50666e-05 -3.53956 63.546000 Cu 0.868687 0.627152 0.5 52 63.546 1.54928e-05 -3.53969 63.546000 Cu 0.221658 0.641884 2.40379e-19 54 63.546 3.19979e-05 -3.53992 63.546000 Cu 0.0746231 0.656651 5.93736e-17 69 63.546 7.67767e-05 -3.53988 63.546000 Cu 0.192226 0.661567 0.5 71 63.546 7.90471e-05 -3.5401 63.546000 Cu 0.0449587 0.676318 0.5 72 63.546 4.62109e-05 -3.54002 63.546000 Cu 0.456957 0.65173 3.36531e-18 58 63.546 3.40794e-05 -3.53983 63.546000 Cu 0.339327 0.646797 0.5 60 63.546 8.68749e-05 -3.53993 63.546000 Cu 0.309829 0.666481 1 74 63.546 8.28315e-05 -3.54014 63.546000 Cu 0.427346 0.67139 0.5 76 63.546 4.83421e-05 -3.54006 63.546000 Cu 0.692226 0.661567 5.93736e-17 62 63.546 7.90471e-05 -3.5401 63.546000 Cu 0.721658 0.641884 0.5 63 63.546 3.19979e-05 -3.53992 63.546000 Cu 0.574623 0.656651 0.5 64 63.546 7.67767e-05 -3.53988 63.546000 Cu 0.544959 0.676318 5.93736e-17 77 63.546 4.62109e-05 -3.54002 63.546000 Cu 0.839327 0.646797 5.37247e-17 65 63.546 8.68749e-05 -3.53993 63.546000 Cu 0.927346 0.67139 2.40379e-19 66 63.546 4.83421e-05 -3.54006 63.546000 Cu 0.956957 0.65173 0.5 67 63.546 3.40794e-05 -3.53983 63.546000 Cu 0.809829 0.666481 0.5 68 63.546 8.28315e-05 -3.54014 63.546000 Cu 0.162492 0.681245 2.40379e-19 70 63.546 3.18074e-05 -3.53988 63.546000 Cu 0.0151035 0.69599 6.15371e-17 85 63.546 9.60566e-06 -3.53992 63.546000 Cu 0.132621 0.700899 0.5 87 63.546 2.64805e-05 -3.53992 63.546000 Cu 0.250187 0.705831 4.98787e-17 89 63.546 7.16408e-06 -3.53994 63.546000 Cu 0.28004 0.68616 0.5 73 63.546 2.0866e-05 -3.54011 63.546000 Cu 0.397631 0.691075 2.40379e-19 75 63.546 3.63975e-05 -3.5402 63.546000 Cu 0.36769 0.710757 0.5 92 63.546 3.68418e-05 -3.54005 63.546000 Cu 0.485294 0.715663 5.93736e-17 93 63.546 2.21685e-05 -3.54014 63.546000 Cu 0.632621 0.700899 5.93736e-17 78 63.546 2.64805e-05 -3.53992 63.546000 Cu 0.662492 0.681245 0.5 79 63.546 3.18074e-05 -3.53988 63.546000 Cu 0.515103 0.69599 0.5 80 63.546 9.60566e-06 -3.53992 63.546000 Cu 0.750187 0.705831 0.5 84 63.546 7.16408e-06 -3.53994 63.546000 Cu 0.78004 0.68616 2.57206e-17 81 63.546 2.0866e-05 -3.54011 63.546000 Cu 0.86769 0.710757 2.70427e-17 82 63.546 3.68418e-05 -3.54005 63.546000 Cu 0.897631 0.691075 0.5 83 63.546 3.63975e-05 -3.5402 63.546000 Cu 0.985294 0.715663 0.5 88 63.546 2.21685e-05 -3.54014 63.546000 Cu 0.102767 0.720578 2.10332e-17 86 63.546 8.61789e-06 -3.54006 63.546000 Cu 0.220298 0.725491 0.5 90 63.546 9.32332e-06 -3.5399 63.546000 Cu 0.0431023 0.759899 0 102 63.546 1.27768e-05 -3.53988 63.546000 Cu 0.072925 0.740245 0.5 103 63.546 1.27176e-05 -3.53996 63.546000 Cu 0.190498 0.745151 4.68739e-17 105 63.546 6.75168e-06 -3.54013 63.546000 Cu 0.337806 0.730408 0 91 63.546 2.65079e-05 -3.53988 63.546000 Cu 0.455391 0.735341 0.5 96 63.546 6.01829e-05 -3.53992 63.546000 Cu 0.308047 0.750071 0.5 108 63.546 1.55721e-05 -3.53986 63.546000 Cu 0.425541 0.754977 5.93736e-17 109 63.546 2.35273e-05 -3.53975 63.546000 Cu 0.572925 0.740245 5.93736e-17 94 63.546 1.27176e-05 -3.53996 63.546000 Cu 0.602767 0.720578 0.5 95 63.546 8.61789e-06 -3.54006 63.546000 Cu 0.720298 0.725491 5.93736e-17 97 63.546 9.32332e-06 -3.5399 63.546000 Cu 0.690498 0.745151 0.5 100 63.546 6.75168e-06 -3.54013 63.546000 Cu 0.543102 0.759899 0.5 111 63.546 1.27768e-05 -3.53988 63.546000 Cu 0.808047 0.750071 1.65621e-16 98 63.546 1.55721e-05 -3.53986 63.546000 Cu 0.837806 0.730408 0.5 99 63.546 2.65079e-05 -3.53988 63.546000 Cu 0.955391 0.735341 5.55276e-17 101 63.546 6.01829e-05 -3.53992 63.546000 Cu 0.925541 0.754977 0.5 104 63.546 2.35273e-05 -3.53975 63.546000 Cu 0.160692 0.76482 0.5 107 63.546 3.74102e-05 -3.5399 63.546000 Cu 0.0134011 0.779546 0.5 119 63.546 8.73629e-06 -3.5399 63.546000 Cu 0.13089 0.784453 1 121 63.546 5.5668e-05 -3.5398 63.546000 Cu 0.248497 0.789377 0.5 123 63.546 2.85074e-05 -3.53991 63.546000 Cu 0.278226 0.769718 1.51439e-17 106 63.546 1.52803e-05 -3.53998 63.546000 Cu 0.395808 0.774633 0.5 112 63.546 3.37258e-06 -3.54015 63.546000 Cu 0.366077 0.794288 5.93736e-17 125 63.546 2.90001e-05 -3.53994 63.546000 Cu 0.483671 0.799197 0.5 127 63.546 3.42039e-05 -3.54004 63.546000 Cu 0.513401 0.779546 2.04322e-17 110 63.546 8.73629e-06 -3.5399 63.546000 Cu 0.660692 0.76482 7.21137e-19 113 63.546 3.74102e-05 -3.5399 63.546000 Cu 0.748497 0.789377 1.59492e-16 114 63.546 2.85074e-05 -3.53991 63.546000 Cu 0.63089 0.784453 0.5 116 63.546 5.5668e-05 -3.5398 63.546000 Cu 0.778226 0.769718 0.5 115 63.546 1.52803e-05 -3.53998 63.546000 Cu 0.895808 0.774633 5.93736e-17 117 63.546 3.37258e-06 -3.54015 63.546000 Cu 0.983671 0.799197 1.69467e-17 118 63.546 3.42039e-05 -3.54004 63.546000 Cu 0.866077 0.794288 0.5 120 63.546 2.90001e-05 -3.53994 63.546000 Cu 0.218906 0.809017 7.72819e-17 122 63.546 1.67185e-05 -3.53982 63.546000 Cu 0.1013 0.80411 0.5 124 63.546 1.34519e-05 -3.53997 63.546000 Cu 0.0717626 0.823758 5.93736e-17 137 63.546 1.0946e-05 -3.53995 63.546000 Cu 0.189392 0.828678 0.5 139 63.546 3.26212e-06 -3.54018 63.546000 Cu 0.454158 0.818853 1.29805e-16 126 63.546 9.1545e-06 -3.53985 63.546000 Cu 0.336484 0.813933 0.5 128 63.546 2.59211e-05 -3.53988 63.546000 Cu 0.307026 0.833595 2.19947e-17 142 63.546 9.11499e-06 -3.53999 63.546000 Cu 0.424641 0.838494 0.5 144 63.546 2.52833e-05 -3.53983 63.546000 Cu 0.6013 0.80411 5.49266e-17 129 63.546 1.34519e-05 -3.53997 63.546000 Cu 0.689392 0.828678 2.45187e-17 130 63.546 3.26212e-06 -3.54018 63.546000 Cu 0.718906 0.809017 0.5 131 63.546 1.67185e-05 -3.53982 63.546000 Cu 0.571763 0.823758 0.5 132 63.546 1.0946e-05 -3.53995 63.546000 Cu 0.836484 0.813933 1.55645e-16 133 63.546 2.59211e-05 -3.53988 63.546000 Cu 0.924641 0.838494 2.24754e-17 134 63.546 2.52833e-05 -3.53983 63.546000 Cu 0.954158 0.818853 0.5 135 63.546 9.1545e-06 -3.53985 63.546000 Cu 0.807026 0.833595 0.5 136 63.546 9.11499e-06 -3.53999 63.546000 Cu 0.159919 0.848341 5.93736e-17 138 63.546 3.10719e-05 -3.54013 63.546000 Cu 0.0422299 0.843415 0.5 140 63.546 8.46893e-06 -3.54001 63.546000 Cu 0.0127133 0.863063 3.71386e-17 153 63.546 3.02731e-05 -3.53969 63.546000 Cu 0.130373 0.867976 0.5 155 63.546 2.17317e-05 -3.5399 63.546000 Cu 0.248087 0.872918 2.23553e-17 157 63.546 0.000104663 -3.54022 63.546000 Cu 0.27753 0.853251 0.5 141 63.546 1.43385e-05 -3.53998 63.546000 Cu 0.395079 0.858162 1.00719e-16 143 63.546 2.55226e-05 -3.53982 63.546000 Cu 0.365684 0.877832 0.5 160 63.546 4.95698e-05 -3.53999 63.546000 Cu 0.54223 0.843415 1.5192e-16 145 63.546 8.46893e-06 -3.54001 63.546000 Cu 0.630373 0.867976 0 146 63.546 2.17317e-05 -3.5399 63.546000 Cu 0.659919 0.848341 0.5 147 63.546 3.10719e-05 -3.54013 63.546000 Cu 0.512713 0.863063 0.5 148 63.546 3.02731e-05 -3.53969 63.546000 Cu 0.748087 0.872918 0.5 152 63.546 0.000104663 -3.54022 63.546000 Cu 0.77753 0.853251 6.38207e-17 149 63.546 1.43385e-05 -3.53998 63.546000 Cu 0.865684 0.877832 1.6514e-16 150 63.546 4.95698e-05 -3.53999 63.546000 Cu 0.895079 0.858162 0.5 151 63.546 2.55226e-05 -3.53982 63.546000 Cu 0.100778 0.887619 1.15382e-16 154 63.546 0.000137724 -3.53952 63.546000 Cu 0.21848 0.892548 0.5 158 63.546 5.34054e-05 -3.54037 63.546000 Cu 0.0711139 0.907279 0.5 171 63.546 0.000620252 -3.53908 63.546000 Cu 0.188775 0.91216 0 173 63.546 0.000677489 -3.53962 63.546000 Cu 0.336267 0.897515 2.40379e-19 159 63.546 0.000436499 -3.54078 63.546000 Cu 0.483208 0.882719 5.93736e-17 161 63.546 8.88551e-05 -3.53948 63.546000 Cu 0.45374 0.902426 0.5 164 63.546 0.000195026 -3.53975 63.546000 Cu 0.306761 0.917141 0.5 176 63.546 0.000656444 -3.54021 63.546000 Cu 0.571114 0.907279 5.93736e-17 162 63.546 0.000620252 -3.53908 63.546000 Cu 0.600778 0.887619 0.5 163 63.546 0.000137724 -3.53952 63.546000 Cu 0.71848 0.892548 2.30764e-17 165 63.546 5.34054e-05 -3.54037 63.546000 Cu 0.688775 0.91216 0.5 168 63.546 0.000677489 -3.53962 63.546000 Cu 0.983208 0.882719 0.5 156 63.546 8.88551e-05 -3.53948 63.546000 Cu 0.806761 0.917141 0 166 63.546 0.000656444 -3.54021 63.546000 Cu 0.836267 0.897515 0.5 167 63.546 0.000436499 -3.54078 63.546000 Cu 0.95374 0.902426 5.93736e-17 169 63.546 0.000195026 -3.53975 63.546000 Cu 0.0416812 0.927037 5.93736e-17 170 63.546 0.00123721 -3.54067 63.546000 Cu 0.159097 0.931777 0.5 175 63.546 0.0041689 -3.53653 63.546000 Cu 0.0132294 0.946917 0.5 187 63.546 0.0260807 -3.54539 63.546000 Cu 0.130325 0.951497 1.37016e-17 189 63.546 0.0378227 -3.52103 63.546000 Cu 0.245704 0.956393 0.5 191 63.546 0.04235 -3.53241 63.546000 Cu 0.276696 0.936662 2.40379e-19 174 63.546 0.00451098 -3.53624 63.546000 Cu 0.424488 0.922184 3.96626e-18 177 63.546 0.00277839 -3.54154 63.546000 Cu 0.394855 0.94184 0.5 180 63.546 0.0105438 -3.54503 63.546000 Cu 0.513229 0.946917 1 178 63.546 0.0260807 -3.54539 63.546000 Cu 0.541681 0.927037 0.5 179 63.546 0.00123721 -3.54067 63.546000 Cu 0.659097 0.931777 1 181 63.546 0.0041689 -3.53653 63.546000 Cu 0.745704 0.956393 7.22339e-17 182 63.546 0.04235 -3.53241 63.546000 Cu 0.630325 0.951497 0.5 184 63.546 0.0378227 -3.52103 63.546000 Cu 0.924488 0.922184 0.5 172 63.546 0.00277839 -3.54154 63.546000 Cu 0.776696 0.936662 0.5 183 63.546 0.00451098 -3.53624 63.546000 Cu 0.894855 0.94184 4.33884e-17 185 63.546 0.0105438 -3.54503 63.546000 Cu 0.064774 0.997457 0 210 63.546 8.333 -3.47545 63.546000 Cu 0.188347 0.997415 0.5 212 63.546 3.76391 -3.52156 63.546000 Cu 0.211246 0.976349 8.16087e-17 190 63.546 0.68508 -3.47856 63.546000 Cu 0.102533 0.972277 0.5 192 63.546 0.557199 -3.44154 63.546000 Cu 0.363255 0.961096 5.93736e-17 193 63.546 0.0713487 -3.53767 63.546000 Cu 0.458126 0.984315 5.93736e-17 194 63.546 9.08139 -3.30079 63.546000 Cu 0.487041 0.966247 0.5 195 63.546 0.504517 -3.47727 63.546000 Cu 0.33701 0.980102 0.5 196 63.546 2.90438 -3.4637 63.546000 Cu 0.311219 0.997415 1 206 63.546 7.9364 -3.2584 63.546000 Cu 0.688347 0.997415 5.93736e-17 207 63.546 3.76391 -3.52156 63.546000 Cu 0.564774 0.997457 0.5 227 63.546 8.333 -3.47545 63.546000 Cu 0.602533 0.972277 5.93736e-17 197 63.546 0.557199 -3.44154 63.546000 Cu 0.711246 0.976349 0.5 199 63.546 0.68508 -3.47856 63.546000 Cu 0.987041 0.966247 1.23795e-17 186 63.546 0.504517 -3.47727 63.546000 Cu 0.863255 0.961096 0.5 188 63.546 0.0713487 -3.53767 63.546000 Cu 0.83701 0.980102 1.10695e-16 201 63.546 2.90438 -3.4637 63.546000 Cu 0.958126 0.984315 0.5 202 63.546 9.08139 -3.30079 63.546000 Cu 0.811219 0.997415 0.5 203 63.546 7.9364 -3.2584