Number of particles = 408 A = 1 Angstrom (basic length-scale) H0(1,1) = 14.8118 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 89.5092 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.59244 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 0.126956 0.0146593 0.5 209 63.546 7.81923 -3.21876 63.546000 Cu 0.151042 0.0320309 1.25208e-15 215 63.546 2.85853 -3.42432 63.546000 Cu 0.00437903 0.0145861 6.4043e-16 206 63.546 3.67625 -3.48699 63.546000 Cu 0.026255 0.0356137 0.5 213 63.546 0.55258 -3.45102 63.546000 Cu 0.271912 0.0279463 0.5 217 63.546 8.75768 -3.26213 63.546000 Cu 0.275817 0.00172818 0.5 210 63.546 9.27807 -3.2702 63.546000 Cu 0.380706 0.0156848 1 219 63.546 8.62011 -3.39886 63.546000 Cu 0.417093 0.0397077 0.5 222 63.546 0.447091 -3.41971 63.546000 Cu 0.526255 0.0356137 8.30444e-16 220 63.546 0.55258 -3.45102 63.546000 Cu 0.504379 0.0145861 0.5 221 63.546 3.67625 -3.48699 63.546000 Cu 0.626956 0.0146593 2.69843e-15 223 63.546 7.81923 -3.21876 63.546000 Cu 0.651042 0.0320309 0.5 226 63.546 2.85853 -3.42432 63.546000 Cu 0.771912 0.0279463 9.0342e-16 224 63.546 8.75768 -3.26213 63.546000 Cu 0.775817 0.00172818 7.2553e-17 205 63.546 9.27807 -3.2702 63.546000 Cu 0.880706 0.0156848 0.5 207 63.546 8.62011 -3.39886 63.546000 Cu 0.917093 0.0397077 4.32195e-16 211 63.546 0.447091 -3.41971 63.546000 Cu 0.059376 0.055507 2.58629e-16 212 63.546 0.0424295 -3.50217 63.546000 Cu 0.176958 0.050933 0.5 218 63.546 0.0722783 -3.50609 63.546000 Cu 0.0897305 0.0750873 0.5 231 63.546 0.00585361 -3.50726 63.546000 Cu 0.208 0.0699711 3.45412e-17 233 63.546 0.00976938 -3.51522 63.546000 Cu 0.300871 0.0458485 3.22422e-16 216 63.546 0.411801 -3.44755 63.546000 Cu 0.326843 0.064906 0.5 235 63.546 0.029276 -3.51436 63.546000 Cu 0.444134 0.0603298 1.11716e-15 237 63.546 0.036638 -3.49453 63.546000 Cu 0.472121 0.0798999 0.5 240 63.546 0.00431878 -3.50812 63.546000 Cu 0.589731 0.0750873 1.00072e-15 238 63.546 0.00585361 -3.50726 63.546000 Cu 0.559376 0.055507 0.5 239 63.546 0.0424295 -3.50217 63.546000 Cu 0.676958 0.050933 1.02889e-15 241 63.546 0.0722783 -3.50609 63.546000 Cu 0.708 0.0699711 0.5 244 63.546 0.00976938 -3.51522 63.546000 Cu 0.944134 0.0603298 0.5 214 63.546 0.036638 -3.49453 63.546000 Cu 0.972121 0.0798999 1 229 63.546 0.00431878 -3.50812 63.546000 Cu 0.826843 0.064906 8.38902e-16 242 63.546 0.029276 -3.51436 63.546000 Cu 0.800871 0.0458485 0.5 243 63.546 0.411801 -3.44755 63.546000 Cu 0.119282 0.0944119 9.56861e-17 230 63.546 0.000618279 -3.51138 63.546000 Cu 0.237191 0.0893985 0.5 236 63.546 0.00301869 -3.51308 63.546000 Cu 0.148249 0.113835 0.5 249 63.546 0.000370477 -3.51236 63.546000 Cu 0.00112175 0.0993409 0.5 232 63.546 0.00106869 -3.51091 63.546000 Cu 0.0303026 0.11875 1.16043e-16 247 63.546 0.000114651 -3.51181 63.546000 Cu 0.265894 0.108953 1.16171e-16 251 63.546 0.000293222 -3.51156 63.546000 Cu 0.354591 0.0845717 2.82388e-16 234 63.546 0.00158057 -3.51277 63.546000 Cu 0.383413 0.104144 0.5 253 63.546 0.000486272 -3.5107 63.546000 Cu 0.501122 0.0993409 1 255 63.546 0.00106869 -3.51091 63.546000 Cu 0.530303 0.11875 0.5 258 63.546 0.000114651 -3.51181 63.546000 Cu 0.648249 0.113835 1 256 63.546 0.000370477 -3.51236 63.546000 Cu 0.619282 0.0944119 0.5 257 63.546 0.000618279 -3.51138 63.546000 Cu 0.737191 0.0893985 9.30054e-16 259 63.546 0.00301869 -3.51308 63.546000 Cu 0.765894 0.108953 0.5 260 63.546 0.000293222 -3.51156 63.546000 Cu 0.883413 0.104144 1.49263e-16 227 63.546 0.000486272 -3.5107 63.546000 Cu 0.854591 0.0845717 0.5 228 63.546 0.00158057 -3.51277 63.546000 Cu 0.177213 0.133315 1 248 63.546 8.329e-05 -3.51183 63.546000 Cu 0.0594672 0.1382 0.5 250 63.546 2.14957e-05 -3.51193 63.546000 Cu 0.0886545 0.15766 1 265 63.546 1.27396e-05 -3.51169 63.546000 Cu 0.206341 0.152787 0.5 267 63.546 3.77015e-05 -3.51148 63.546000 Cu 0.412522 0.123628 1 252 63.546 0.00016548 -3.51095 63.546000 Cu 0.294873 0.128468 0.5 254 63.546 5.32005e-05 -3.51118 63.546000 Cu 0.324038 0.147947 1 269 63.546 1.63372e-05 -3.51142 63.546000 Cu 0.441743 0.143083 0.5 271 63.546 2.28923e-05 -3.51161 63.546000 Cu 0.559467 0.1382 1.87132e-16 273 63.546 2.14957e-05 -3.51193 63.546000 Cu 0.706341 0.152787 5.87517e-16 274 63.546 3.77015e-05 -3.51148 63.546000 Cu 0.677213 0.133315 0.5 275 63.546 8.329e-05 -3.51183 63.546000 Cu 0.588654 0.15766 0.5 276 63.546 1.27396e-05 -3.51169 63.546000 Cu 0.941743 0.143083 9.30665e-16 245 63.546 2.28923e-05 -3.51161 63.546000 Cu 0.912522 0.123628 0.5 246 63.546 0.00016548 -3.51095 63.546000 Cu 0.794873 0.128468 1 277 63.546 5.32005e-05 -3.51118 63.546000 Cu 0.824038 0.147947 0.5 278 63.546 1.63372e-05 -3.51142 63.546000 Cu 0.235534 0.172261 1.15771e-16 266 63.546 1.52979e-05 -3.51141 63.546000 Cu 0.117857 0.177124 0.5 268 63.546 3.4012e-05 -3.51155 63.546000 Cu 0.146983 0.196585 1 283 63.546 2.86707e-05 -3.51159 63.546000 Cu 9.73892e-05 0.182005 1 262 63.546 2.34313e-06 -3.51161 63.546000 Cu 0.264649 0.191737 0.5 285 63.546 5.6329e-06 -3.51145 63.546000 Cu 0.470952 0.162556 1 270 63.546 5.45549e-05 -3.51178 63.546000 Cu 0.353192 0.167417 0.5 272 63.546 2.63851e-05 -3.51156 63.546000 Cu 0.38232 0.18688 1 287 63.546 3.53864e-05 -3.51155 63.546000 Cu 0.500097 0.182005 0.5 289 63.546 2.34313e-06 -3.51161 63.546000 Cu 0.617857 0.177124 1 291 63.546 3.4012e-05 -3.51155 63.546000 Cu 0.735534 0.172261 0.5 293 63.546 1.52979e-05 -3.51141 63.546000 Cu 0.646983 0.196585 0.5 294 63.546 2.86707e-05 -3.51159 63.546000 Cu 0.764649 0.191737 1 292 63.546 5.6329e-06 -3.51145 63.546000 Cu 0.853192 0.167417 1 261 63.546 2.63851e-05 -3.51156 63.546000 Cu 0.970952 0.162556 0.5 263 63.546 5.45549e-05 -3.51178 63.546000 Cu 0.88232 0.18688 0.5 264 63.546 3.53864e-05 -3.51155 63.546000 Cu 0.0584011 0.22092 1 280 63.546 2.94847e-05 -3.51165 63.546000 Cu 0.176071 0.216055 0.5 286 63.546 8.25004e-06 -3.51172 63.546000 Cu 0.205155 0.235525 4.89492e-16 301 63.546 3.0346e-05 -3.51151 63.546000 Cu 0.0292271 0.201455 0.5 281 63.546 1.83442e-05 -3.51168 63.546000 Cu 0.293807 0.211204 5.95447e-16 284 63.546 2.07455e-05 -3.51165 63.546000 Cu 0.411529 0.206341 0.5 290 63.546 2.03458e-05 -3.51163 63.546000 Cu 0.322892 0.23066 0.5 303 63.546 1.50555e-05 -3.51152 63.546000 Cu 0.440701 0.225791 2.10748e-16 305 63.546 5.31438e-05 -3.51157 63.546000 Cu 0.529227 0.201455 1 288 63.546 1.83442e-05 -3.51168 63.546000 Cu 0.558401 0.22092 0.5 307 63.546 2.94847e-05 -3.51165 63.546000 Cu 0.676071 0.216055 4.81781e-16 309 63.546 8.25004e-06 -3.51172 63.546000 Cu 0.705155 0.235525 0.5 312 63.546 3.0346e-05 -3.51151 63.546000 Cu 0.911529 0.206341 1 279 63.546 2.03458e-05 -3.51163 63.546000 Cu 0.940701 0.225791 0.5 282 63.546 5.31438e-05 -3.51157 63.546000 Cu 0.822892 0.23066 3.65195e-16 310 63.546 1.50555e-05 -3.51152 63.546000 Cu 0.793807 0.211204 0.5 311 63.546 2.07455e-05 -3.51165 63.546000 Cu 0.116288 0.259831 0 298 63.546 9.60917e-06 -3.51143 63.546000 Cu 0.0874078 0.240384 0.5 299 63.546 2.54351e-05 -3.51152 63.546000 Cu 0.23415 0.254972 0.5 304 63.546 2.50297e-05 -3.51138 63.546000 Cu 0.145239 0.279276 0.5 317 63.546 1.699e-05 -3.51149 63.546000 Cu 0.262999 0.27442 3.76459e-16 319 63.546 7.29991e-06 -3.51158 63.546000 Cu 0.351902 0.250107 2.80917e-16 302 63.546 1.771e-05 -3.51148 63.546000 Cu 0.469657 0.24524 0.5 308 63.546 1.59384e-05 -3.51156 63.546000 Cu 0.380782 0.269569 0.5 321 63.546 1.55589e-05 -3.51159 63.546000 Cu 0.498523 0.264699 2.52608e-16 323 63.546 1.01598e-05 -3.51149 63.546000 Cu 0.587408 0.240384 1.40172e-16 306 63.546 2.54351e-05 -3.51152 63.546000 Cu 0.645239 0.279276 2.77884e-16 324 63.546 1.699e-05 -3.51149 63.546000 Cu 0.616288 0.259831 0.5 325 63.546 9.60917e-06 -3.51143 63.546000 Cu 0.73415 0.254972 1 327 63.546 2.50297e-05 -3.51138 63.546000 Cu 0.762999 0.27442 0.5 328 63.546 7.29991e-06 -3.51158 63.546000 Cu 0.880782 0.269569 1 295 63.546 1.55589e-05 -3.51159 63.546000 Cu 0.851902 0.250107 0.5 296 63.546 1.771e-05 -3.51148 63.546000 Cu 0.969657 0.24524 1 297 63.546 1.59384e-05 -3.51156 63.546000 Cu 0.998523 0.264699 0.5 300 63.546 1.01598e-05 -3.51149 63.546000 Cu 0.174132 0.298737 1.68254e-18 316 63.546 6.44746e-06 -3.51163 63.546000 Cu 0.0563865 0.303588 0.5 318 63.546 1.94939e-05 -3.5116 63.546000 Cu 0.203111 0.318198 0.5 335 63.546 2.3599e-05 -3.51156 63.546000 Cu 0.0274586 0.284143 1 315 63.546 4.06074e-06 -3.51145 63.546000 Cu 0.409646 0.289015 1 320 63.546 1.36434e-05 -3.51152 63.546000 Cu 0.291875 0.293884 0.5 322 63.546 3.08588e-05 -3.51162 63.546000 Cu 0.320871 0.313335 1 337 63.546 1.63521e-05 -3.51148 63.546000 Cu 0.438602 0.308456 0.5 339 63.546 6.79557e-06 -3.51153 63.546000 Cu 0.527459 0.284143 0.5 326 63.546 4.06074e-06 -3.51145 63.546000 Cu 0.556386 0.303588 1 341 63.546 1.94939e-05 -3.5116 63.546000 Cu 0.703111 0.318198 3.67066e-16 342 63.546 2.3599e-05 -3.51156 63.546000 Cu 0.674132 0.298737 0.5 343 63.546 6.44746e-06 -3.51163 63.546000 Cu 0.938602 0.308456 5.03857e-17 313 63.546 6.79557e-06 -3.51153 63.546000 Cu 0.909646 0.289015 0.5 314 63.546 1.36434e-05 -3.51152 63.546000 Cu 0.791875 0.293884 6.83256e-16 345 63.546 3.08588e-05 -3.51162 63.546000 Cu 0.820871 0.313335 0.5 346 63.546 1.63521e-05 -3.51148 63.546000 Cu 0.0853324 0.323042 2.70867e-18 333 63.546 7.51891e-06 -3.51162 63.546000 Cu 0.232052 0.337643 1 334 63.546 1.22391e-05 -3.51143 63.546000 Cu 0.114318 0.342499 0.5 336 63.546 2.42153e-05 -3.51152 63.546000 Cu 0.260914 0.35709 0.5 353 63.546 8.21906e-06 -3.51144 63.546000 Cu 0.467598 0.327901 5.27021e-17 338 63.546 1.66109e-05 -3.51166 63.546000 Cu 0.349818 0.332773 0.5 340 63.546 6.1376e-06 -3.51158 63.546000 Cu 0.378717 0.352221 1 355 63.546 3.33828e-06 -3.51162 63.546000 Cu 0.496537 0.347357 0.5 357 63.546 2.44494e-05 -3.51163 63.546000 Cu 0.585332 0.323042 0.5 344 63.546 7.51891e-06 -3.51162 63.546000 Cu 0.614318 0.342499 5.5917e-16 359 63.546 2.42153e-05 -3.51152 63.546000 Cu 0.732052 0.337643 0.5 361 63.546 1.22391e-05 -3.51143 63.546000 Cu 0.760914 0.35709 1.18457e-18 360 63.546 8.21906e-06 -3.51144 63.546000 Cu 0.849818 0.332773 1 329 63.546 6.1376e-06 -3.51158 63.546000 Cu 0.996537 0.347357 1.22086e-16 330 63.546 2.44494e-05 -3.51163 63.546000 Cu 0.967598 0.327901 0.5 331 63.546 1.66109e-05 -3.51166 63.546000 Cu 0.878717 0.352221 0.5 332 63.546 3.33828e-06 -3.51162 63.546000 Cu 0.0541755 0.386242 4.46704e-16 348 63.546 2.96165e-05 -3.51146 63.546000 Cu 0.143167 0.361949 1.44991e-15 351 63.546 1.41854e-05 -3.51138 63.546000 Cu 0.171965 0.381386 0.5 354 63.546 1.93458e-05 -3.51129 63.546000 Cu 0.0253097 0.3668 0.5 349 63.546 2.33697e-05 -3.51144 63.546000 Cu 0.289779 0.376537 1 352 63.546 9.71236e-06 -3.51141 63.546000 Cu 0.407573 0.371671 0.5 358 63.546 3.99862e-06 -3.51147 63.546000 Cu 0.318608 0.395989 0.5 371 63.546 4.16998e-05 -3.51161 63.546000 Cu 0.436408 0.391118 4.17135e-16 373 63.546 1.25108e-05 -3.51168 63.546000 Cu 0.52531 0.3668 1 356 63.546 2.33697e-05 -3.51144 63.546000 Cu 0.643167 0.361949 0.5 362 63.546 1.41854e-05 -3.51138 63.546000 Cu 0.554176 0.386242 0.5 375 63.546 2.96165e-05 -3.51146 63.546000 Cu 0.671965 0.381386 1 377 63.546 1.93458e-05 -3.51129 63.546000 Cu 0.907573 0.371671 1 347 63.546 3.99862e-06 -3.51147 63.546000 Cu 0.936408 0.391118 0.5 350 63.546 1.25108e-05 -3.51168 63.546000 Cu 0.818608 0.395989 1 378 63.546 4.16998e-05 -3.51161 63.546000 Cu 0.789779 0.376537 0.5 379 63.546 9.71236e-06 -3.51141 63.546000 Cu 0.112319 0.425135 1.34302e-18 366 63.546 0.000509488 -3.51076 63.546000 Cu 0.0831593 0.405684 0.5 367 63.546 9.65816e-05 -3.51111 63.546000 Cu 0.200904 0.400836 1 369 63.546 5.55081e-05 -3.51112 63.546000 Cu 0.229846 0.420324 0.5 372 63.546 0.000197999 -3.51141 63.546000 Cu 0.347502 0.415462 3.81583e-16 370 63.546 0.000262112 -3.51219 63.546000 Cu 0.465288 0.410562 0.5 376 63.546 0.000143635 -3.51182 63.546000 Cu 0.376514 0.434903 0.5 389 63.546 0.000848313 -3.51182 63.546000 Cu 0.494601 0.429973 1 391 63.546 0.000545627 -3.51135 63.546000 Cu 0.258784 0.439876 1 387 63.546 0.00205367 -3.51281 63.546000 Cu 0.583159 0.405684 1 374 63.546 9.65816e-05 -3.51111 63.546000 Cu 0.700904 0.400836 0.5 380 63.546 5.55081e-05 -3.51112 63.546000 Cu 0.612319 0.425135 0.5 393 63.546 0.000509488 -3.51076 63.546000 Cu 0.729846 0.420324 1 395 63.546 0.000197999 -3.51141 63.546000 Cu 0.876514 0.434903 2.11261e-19 363 63.546 0.000848313 -3.51182 63.546000 Cu 0.847502 0.415462 0.5 364 63.546 0.000262112 -3.51219 63.546000 Cu 0.965288 0.410562 1 365 63.546 0.000143635 -3.51182 63.546000 Cu 0.994601 0.429973 0.5 368 63.546 0.000545627 -3.51135 63.546000 Cu 0.758784 0.439876 0.5 396 63.546 0.00205367 -3.51281 63.546000 Cu 0.16999 0.464344 0 384 63.546 0.0191726 -3.51403 63.546000 Cu 0.141561 0.444685 0.5 385 63.546 0.00100641 -3.51214 63.546000 Cu 0.0527975 0.468886 0.5 386 63.546 0.0356644 -3.49342 63.546000 Cu 0.0239674 0.449387 1.96171e-19 383 63.546 0.00345722 -3.50865 63.546000 Cu 0.406291 0.454254 1 388 63.546 0.00299099 -3.50836 63.546000 Cu 0.288265 0.45936 0.5 390 63.546 0.00814595 -3.51524 63.546000 Cu 0.436981 0.473765 0.5 403 63.546 0.0343747 -3.50276 63.546000 Cu 0.3195 0.478514 1 401 63.546 0.0536436 -3.50716 63.546000 Cu 0.523967 0.449387 0.5 394 63.546 0.00345722 -3.50865 63.546000 Cu 0.641561 0.444685 1 392 63.546 0.00100641 -3.51214 63.546000 Cu 0.552797 0.468886 1 405 63.546 0.0356644 -3.49342 63.546000 Cu 0.66999 0.464344 0.5 407 63.546 0.0191726 -3.51403 63.546000 Cu 0.788265 0.45936 2.15003e-16 8 63.546 0.00814595 -3.51524 63.546000 Cu 0.936981 0.473765 6.2792e-16 381 63.546 0.0343747 -3.50276 63.546000 Cu 0.906291 0.454254 0.5 382 63.546 0.00299099 -3.50836 63.546000 Cu 0.8195 0.478514 0.5 1 63.546 0.0536436 -3.50716 63.546000 Cu 0.119643 0.515661 0.5 5 63.546 8.63139 -3.3984 63.546000 Cu 0.224914 0.501691 1 6 63.546 9.26772 -3.26892 63.546000 Cu 0.0805769 0.4894 6.29784e-17 399 63.546 0.750084 -3.39044 63.546000 Cu 0.196525 0.483537 0.5 400 63.546 0.619248 -3.43925 63.546000 Cu 0.373368 0.51465 1 9 63.546 7.81642 -3.21886 63.546000 Cu 0.471657 0.493525 1 402 63.546 0.765628 -3.43095 63.546000 Cu 0.34639 0.49742 0.5 404 63.546 2.99416 -3.42206 63.546000 Cu 0.496023 0.51458 0.5 11 63.546 3.69278 -3.48681 63.546000 Cu 0.724914 0.501691 0.5 2 63.546 9.26772 -3.26892 63.546000 Cu 0.619643 0.515661 4.24401e-16 13 63.546 8.63139 -3.3984 63.546000 Cu 0.696525 0.483537 1 406 63.546 0.619248 -3.43925 63.546000 Cu 0.580577 0.4894 0.5 408 63.546 0.750084 -3.39044 63.546000 Cu 0.996023 0.51458 4.35099e-16 3 63.546 3.69278 -3.48681 63.546000 Cu 0.873368 0.51465 0.5 4 63.546 7.81642 -3.21886 63.546000 Cu 0.84639 0.49742 1.09518e-15 397 63.546 2.99416 -3.42206 63.546000 Cu 0.971657 0.493525 0.5 398 63.546 0.765628 -3.43095 63.546000 Cu 0.0828835 0.539711 5.69499e-16 21 63.546 0.445095 -3.42006 63.546000 Cu 0.199007 0.54582 0.5 24 63.546 0.411416 -3.44882 63.546000 Cu 0.228164 0.527896 1 7 63.546 8.74801 -3.26321 63.546000 Cu 0.348872 0.531987 0.5 12 63.546 2.87871 -3.42406 63.546000 Cu 0.322834 0.550902 1 25 63.546 0.0703468 -3.50631 63.546000 Cu 0.440421 0.555481 0.5 27 63.546 0.0416183 -3.50227 63.546000 Cu 0.473764 0.535611 1.03404e-15 10 63.546 0.555466 -3.4497 63.546000 Cu 0.699007 0.54582 4.4057e-16 14 63.546 0.411416 -3.44882 63.546000 Cu 0.582883 0.539711 0.5 16 63.546 0.445095 -3.42006 63.546000 Cu 0.728164 0.527896 0.5 15 63.546 8.74801 -3.26321 63.546000 Cu 0.973764 0.535611 0.5 19 63.546 0.555466 -3.4497 63.546000 Cu 0.848872 0.531987 2.01145e-15 17 63.546 2.87871 -3.42406 63.546000 Cu 0.940421 0.555481 3.8657e-16 18 63.546 0.0416183 -3.50227 63.546000 Cu 0.822834 0.550902 0.5 20 63.546 0.0703468 -3.50631 63.546000 Cu 0.0556383 0.560319 0.5 22 63.546 0.0372908 -3.49457 63.546000 Cu 0.172936 0.564883 1 23 63.546 0.0283916 -3.51443 63.546000 Cu 0.0275099 0.579871 6.57172e-16 37 63.546 0.00413963 -3.50822 63.546000 Cu 0.145061 0.584553 0.5 40 63.546 0.00150572 -3.51272 63.546000 Cu 0.409878 0.575057 1 26 63.546 0.00565263 -3.50727 63.546000 Cu 0.291648 0.569942 0.5 28 63.546 0.00983201 -3.51515 63.546000 Cu 0.26239 0.589374 1 41 63.546 0.00294776 -3.51303 63.546000 Cu 0.38027 0.594379 0.5 43 63.546 0.000626807 -3.51141 63.546000 Cu 0.498407 0.599306 4.58406e-16 45 63.546 0.000887533 -3.51099 63.546000 Cu 0.555638 0.560319 1 29 63.546 0.0372908 -3.49457 63.546000 Cu 0.645061 0.584553 1.10233e-15 30 63.546 0.00150572 -3.51272 63.546000 Cu 0.672936 0.564883 0.5 31 63.546 0.0283916 -3.51443 63.546000 Cu 0.52751 0.579871 0.5 32 63.546 0.00413963 -3.50822 63.546000 Cu 0.998407 0.599306 0.5 39 63.546 0.000887533 -3.51099 63.546000 Cu 0.791648 0.569942 9.16495e-16 33 63.546 0.00983201 -3.51515 63.546000 Cu 0.88027 0.594379 4.84331e-16 34 63.546 0.000626807 -3.51141 63.546000 Cu 0.909878 0.575057 0.5 35 63.546 0.00565263 -3.50727 63.546000 Cu 0.76239 0.589374 0.5 36 63.546 0.00294776 -3.51303 63.546000 Cu 0.116112 0.604122 6.14241e-17 38 63.546 0.000499264 -3.51074 63.546000 Cu 0.0869452 0.623603 0.5 55 63.546 0.000136912 -3.511 63.546000 Cu 0.204605 0.628452 1 57 63.546 5.26011e-05 -3.51119 63.546000 Cu 0.233611 0.608934 0.5 44 63.546 0.000224232 -3.51154 63.546000 Cu 0.351222 0.613807 8.4561e-16 42 63.546 0.000408011 -3.51238 63.546000 Cu 0.322268 0.633299 0.5 59 63.546 5.26332e-05 -3.51182 63.546000 Cu 0.440006 0.638176 6.01271e-16 61 63.546 2.40881e-05 -3.5119 63.546000 Cu 0.469157 0.618718 0.5 48 63.546 8.03967e-05 -3.51184 63.546000 Cu 0.586945 0.623603 1 46 63.546 0.000136912 -3.511 63.546000 Cu 0.616112 0.604122 0.5 47 63.546 0.000499264 -3.51074 63.546000 Cu 0.704605 0.628452 0.5 52 63.546 5.26011e-05 -3.51119 63.546000 Cu 0.733611 0.608934 1.4079e-17 49 63.546 0.000224232 -3.51154 63.546000 Cu 0.969157 0.618718 6.30833e-16 53 63.546 8.03967e-05 -3.51184 63.546000 Cu 0.822268 0.633299 6.49597e-16 50 63.546 5.26332e-05 -3.51182 63.546000 Cu 0.851222 0.613807 0.5 51 63.546 0.000408011 -3.51238 63.546000 Cu 0.940006 0.638176 0.5 56 63.546 2.40881e-05 -3.5119 63.546000 Cu 0.0577499 0.643058 3.59121e-16 54 63.546 1.20436e-05 -3.51158 63.546000 Cu 0.1755 0.647932 0.5 60 63.546 2.52405e-05 -3.51138 63.546000 Cu 0.0286278 0.662533 0.5 71 63.546 1.02761e-05 -3.51172 63.546000 Cu 0.146392 0.667402 1 74 63.546 7.94836e-06 -3.51155 63.546000 Cu 0.293196 0.652782 2.44278e-16 58 63.546 9.49315e-06 -3.51145 63.546000 Cu 0.410904 0.657649 0.5 64 63.546 7.84566e-06 -3.51166 63.546000 Cu 0.264108 0.672259 0.5 76 63.546 1.91968e-06 -3.51143 63.546000 Cu 0.381824 0.677125 1.18729e-16 77 63.546 5.78679e-06 -3.51151 63.546000 Cu 0.528628 0.662533 3.15624e-16 62 63.546 1.02761e-05 -3.51172 63.546000 Cu 0.55775 0.643058 0.5 63 63.546 1.20436e-05 -3.51158 63.546000 Cu 0.6755 0.647932 6.25053e-16 65 63.546 2.52405e-05 -3.51138 63.546000 Cu 0.646392 0.667402 0.5 68 63.546 7.94836e-06 -3.51155 63.546000 Cu 0.764108 0.672259 0 66 63.546 1.91968e-06 -3.51143 63.546000 Cu 0.793196 0.652782 0.5 67 63.546 9.49315e-06 -3.51145 63.546000 Cu 0.910904 0.657649 5.68594e-17 69 63.546 7.84566e-06 -3.51166 63.546000 Cu 0.881824 0.677125 0.5 72 63.546 5.78679e-06 -3.51151 63.546000 Cu 0.11731 0.686874 0.5 73 63.546 1.04599e-05 -3.51163 63.546000 Cu 0.0881878 0.706349 6.62831e-17 89 63.546 1.4611e-05 -3.51167 63.546000 Cu 0.205882 0.711214 0.5 92 63.546 1.8823e-05 -3.51173 63.546000 Cu 0.235026 0.691736 0 75 63.546 2.88098e-06 -3.51153 63.546000 Cu 0.352727 0.696594 0.5 80 63.546 1.30788e-05 -3.51157 63.546000 Cu 0.323619 0.716071 0 93 63.546 1.50643e-05 -3.51173 63.546000 Cu 0.470474 0.701467 1 78 63.546 6.5984e-06 -3.51164 63.546000 Cu 0.49955 0.682001 0.5 79 63.546 1.2263e-06 -3.51161 63.546000 Cu 0.61731 0.686874 6.84863e-17 81 63.546 1.04599e-05 -3.51163 63.546000 Cu 0.705882 0.711214 1 82 63.546 1.8823e-05 -3.51173 63.546000 Cu 0.588188 0.706349 0.5 84 63.546 1.4611e-05 -3.51167 63.546000 Cu 0.735026 0.691736 0.5 83 63.546 2.88098e-06 -3.51153 63.546000 Cu 0.99955 0.682001 1.8631e-16 70 63.546 1.2263e-06 -3.51161 63.546000 Cu 0.970474 0.701467 0.5 87 63.546 6.5984e-06 -3.51164 63.546000 Cu 0.852727 0.696594 2.60847e-16 85 63.546 1.30788e-05 -3.51157 63.546000 Cu 0.823619 0.716071 0.5 88 63.546 1.50643e-05 -3.51173 63.546000 Cu 0.0590411 0.725811 0.5 90 63.546 7.11298e-05 -3.51157 63.546000 Cu 0.176851 0.730687 1 91 63.546 4.74847e-05 -3.51154 63.546000 Cu 0.0301472 0.745268 3.7197e-18 105 63.546 4.56467e-05 -3.51154 63.546000 Cu 0.147978 0.750137 0.5 108 63.546 1.95283e-05 -3.51142 63.546000 Cu 0.412368 0.740408 1 94 63.546 5.05744e-05 -3.51153 63.546000 Cu 0.441321 0.720935 0.5 95 63.546 4.4526e-05 -3.51161 63.546000 Cu 0.294618 0.735548 0.5 96 63.546 3.76348e-05 -3.51153 63.546000 Cu 0.265744 0.755008 1 109 63.546 4.18867e-05 -3.51137 63.546000 Cu 0.383632 0.759867 0.5 111 63.546 7.05484e-06 -3.51147 63.546000 Cu 0.559041 0.725811 2.95954e-16 97 63.546 7.11298e-05 -3.51157 63.546000 Cu 0.647978 0.750137 1 98 63.546 1.95283e-05 -3.51142 63.546000 Cu 0.676851 0.730687 0.5 99 63.546 4.74847e-05 -3.51154 63.546000 Cu 0.530147 0.745268 0.5 100 63.546 4.56467e-05 -3.51154 63.546000 Cu 0.941321 0.720935 1 86 63.546 4.4526e-05 -3.51161 63.546000 Cu 0.794618 0.735548 3.6604e-16 101 63.546 3.76348e-05 -3.51153 63.546000 Cu 0.883632 0.759867 1 102 63.546 7.05484e-06 -3.51147 63.546000 Cu 0.912368 0.740408 0.5 103 63.546 5.05744e-05 -3.51153 63.546000 Cu 0.765744 0.755008 0.5 104 63.546 4.18867e-05 -3.51137 63.546000 Cu 0.119237 0.769601 3.63535e-16 106 63.546 1.61239e-05 -3.51155 63.546000 Cu 0.00144878 0.76473 0.5 107 63.546 5.2011e-06 -3.51156 63.546000 Cu 0.0905535 0.789049 0.5 123 63.546 1.34056e-05 -3.51143 63.546000 Cu 0.20835 0.793911 1 125 63.546 1.10289e-05 -3.51145 63.546000 Cu 0.237043 0.774456 0.5 112 63.546 5.70474e-06 -3.5115 63.546000 Cu 0.354885 0.779315 5.97454e-16 110 63.546 3.22003e-06 -3.51147 63.546000 Cu 0.326163 0.798763 0.5 127 63.546 3.62399e-06 -3.51148 63.546000 Cu 0.472693 0.784183 0.5 116 63.546 1.10548e-05 -3.51144 63.546000 Cu 0.501449 0.76473 2.30033e-16 113 63.546 5.2011e-06 -3.51156 63.546000 Cu 0.590554 0.789049 3.43126e-16 114 63.546 1.34056e-05 -3.51143 63.546000 Cu 0.619237 0.769601 0.5 115 63.546 1.61239e-05 -3.51155 63.546000 Cu 0.70835 0.793911 0.5 120 63.546 1.10289e-05 -3.51145 63.546000 Cu 0.737043 0.774456 4.05364e-16 117 63.546 5.70474e-06 -3.5115 63.546000 Cu 0.972693 0.784183 1 121 63.546 1.10548e-05 -3.51144 63.546000 Cu 0.826163 0.798763 0 118 63.546 3.62399e-06 -3.51148 63.546000 Cu 0.854885 0.779315 0.5 119 63.546 3.22003e-06 -3.51147 63.546000 Cu 0.0618467 0.808484 1 122 63.546 1.19981e-05 -3.51142 63.546000 Cu 0.179617 0.813352 0.5 128 63.546 5.89803e-06 -3.51132 63.546000 Cu 0.0330539 0.82792 0.5 139 63.546 3.67584e-06 -3.51158 63.546000 Cu 0.15089 0.832786 1 142 63.546 8.60203e-06 -3.51151 63.546000 Cu 0.297396 0.81821 1 126 63.546 1.00488e-05 -3.51143 63.546000 Cu 0.443987 0.803618 1 129 63.546 8.49683e-06 -3.51147 63.546000 Cu 0.415236 0.823056 0.5 132 63.546 1.23684e-05 -3.51155 63.546000 Cu 0.268688 0.837648 0.5 144 63.546 6.96663e-06 -3.51142 63.546000 Cu 0.533054 0.82792 1.90625e-16 130 63.546 3.67584e-06 -3.51158 63.546000 Cu 0.561847 0.808484 0.5 131 63.546 1.19981e-05 -3.51142 63.546000 Cu 0.679617 0.813352 1.01534e-16 133 63.546 5.89803e-06 -3.51132 63.546000 Cu 0.65089 0.832786 0.5 136 63.546 8.60203e-06 -3.51151 63.546000 Cu 0.943987 0.803618 0.5 124 63.546 8.49683e-06 -3.51147 63.546000 Cu 0.768688 0.837648 1 134 63.546 6.96663e-06 -3.51142 63.546000 Cu 0.797396 0.81821 0.5 135 63.546 1.00488e-05 -3.51143 63.546000 Cu 0.915236 0.823056 3.04782e-16 137 63.546 1.23684e-05 -3.51155 63.546000 Cu 0.00424793 0.84736 1 138 63.546 1.06005e-05 -3.51155 63.546000 Cu 0.122085 0.852228 0.5 141 63.546 1.28014e-06 -3.51154 63.546000 Cu 0.0932753 0.87167 2.16656e-16 157 63.546 7.9273e-06 -3.51143 63.546000 Cu 0.211107 0.876534 0.5 160 63.546 1.01413e-05 -3.51141 63.546000 Cu 0.239916 0.857093 3.61407e-18 143 63.546 8.19199e-06 -3.51145 63.546000 Cu 0.386434 0.842502 8.89333e-17 145 63.546 9.17428e-06 -3.51149 63.546000 Cu 0.357716 0.861948 0.5 148 63.546 3.45459e-06 -3.51138 63.546000 Cu 0.475536 0.866801 1 146 63.546 2.44233e-05 -3.51139 63.546000 Cu 0.504248 0.84736 0.5 147 63.546 1.06005e-05 -3.51155 63.546000 Cu 0.622085 0.852228 3.43978e-16 149 63.546 1.28014e-06 -3.51154 63.546000 Cu 0.711107 0.876534 1 150 63.546 1.01413e-05 -3.51141 63.546000 Cu 0.593275 0.87167 0.5 152 63.546 7.9273e-06 -3.51143 63.546000 Cu 0.739916 0.857093 0.5 151 63.546 8.19199e-06 -3.51145 63.546000 Cu 0.975536 0.866801 0.5 155 63.546 2.44233e-05 -3.51139 63.546000 Cu 0.886434 0.842502 0.5 140 63.546 9.17428e-06 -3.51149 63.546000 Cu 0.857716 0.861948 4.37612e-19 153 63.546 3.45459e-06 -3.51138 63.546000 Cu 0.064479 0.89112 0.5 158 63.546 2.16116e-05 -3.51173 63.546000 Cu 0.182264 0.895989 3.21418e-18 159 63.546 4.88163e-05 -3.5117 63.546000 Cu 0.0355905 0.910576 1 173 63.546 0.000168346 -3.51187 63.546000 Cu 0.153336 0.915479 0.5 176 63.546 0.000248052 -3.51226 63.546000 Cu 0.328946 0.881388 1 161 63.546 4.02511e-05 -3.51133 63.546000 Cu 0.41774 0.905698 2.04817e-16 162 63.546 8.8611e-05 -3.5112 63.546000 Cu 0.446716 0.886249 0.5 163 63.546 3.00458e-05 -3.51146 63.546000 Cu 0.299982 0.900844 0.5 164 63.546 5.72413e-05 -3.51123 63.546000 Cu 0.564479 0.89112 5.46276e-16 165 63.546 2.16116e-05 -3.51173 63.546000 Cu 0.653336 0.915479 1 166 63.546 0.000248052 -3.51226 63.546000 Cu 0.682264 0.895989 0.5 167 63.546 4.88163e-05 -3.5117 63.546000 Cu 0.535591 0.910576 0.5 168 63.546 0.000168346 -3.51187 63.546000 Cu 0.946716 0.886249 1 154 63.546 3.00458e-05 -3.51146 63.546000 Cu 0.828946 0.881388 0.5 156 63.546 4.02511e-05 -3.51133 63.546000 Cu 0.799982 0.900844 1 169 63.546 5.72413e-05 -3.51123 63.546000 Cu 0.91774 0.905698 0.5 171 63.546 8.8611e-05 -3.5112 63.546000 Cu 0.124304 0.934928 1 174 63.546 0.000821782 -3.51188 63.546000 Cu 0.00624015 0.929998 0.5 175 63.546 0.000468666 -3.51135 63.546000 Cu 0.0945247 0.954284 0.5 191 63.546 0.00275573 -3.50841 63.546000 Cu 0.242046 0.939897 0.5 180 63.546 0.00201688 -3.51281 63.546000 Cu 0.212541 0.959386 1 193 63.546 0.00810563 -3.51523 63.546000 Cu 0.271005 0.920336 1.44495e-16 177 63.546 0.000180008 -3.51148 63.546000 Cu 0.359248 0.944701 1 178 63.546 0.00098377 -3.51197 63.546000 Cu 0.388538 0.925157 0.5 179 63.546 0.000452614 -3.51075 63.546000 Cu 0.476814 0.949413 0.5 184 63.546 0.00328449 -3.50861 63.546000 Cu 0.50624 0.929998 2.38144e-16 181 63.546 0.000468666 -3.51135 63.546000 Cu 0.594525 0.954284 6.46315e-16 182 63.546 0.00275573 -3.50841 63.546000 Cu 0.624304 0.934928 0.5 183 63.546 0.000821782 -3.51188 63.546000 Cu 0.742046 0.939897 3.53839e-16 185 63.546 0.00201688 -3.51281 63.546000 Cu 0.712541 0.959386 0.5 188 63.546 0.00810563 -3.51523 63.546000 Cu 0.976814 0.949413 1 189 63.546 0.00328449 -3.50861 63.546000 Cu 0.888538 0.925157 3.88147e-16 170 63.546 0.000452614 -3.51075 63.546000 Cu 0.771005 0.920336 0.5 172 63.546 0.000180008 -3.51148 63.546000 Cu 0.859248 0.944701 0.5 187 63.546 0.00098377 -3.51197 63.546000 Cu 0.154301 0.997459 9.69235e-16 208 63.546 3.01993 -3.42178 63.546000 Cu 0.063796 0.973786 3.03989e-16 190 63.546 0.0337209 -3.50298 63.546000 Cu 0.18127 0.978549 0.5 196 63.546 0.0531371 -3.50734 63.546000 Cu 0.0290131 0.993544 0.5 204 63.546 0.763932 -3.42977 63.546000 Cu 0.304219 0.983571 0 194 63.546 0.619603 -3.43959 63.546000 Cu 0.330752 0.964366 0.5 195 63.546 0.0187877 -3.51402 63.546000 Cu 0.447902 0.9689 4.01517e-16 197 63.546 0.0358554 -3.49348 63.546000 Cu 0.420061 0.989408 0.5 200 63.546 0.751639 -3.39026 63.546000 Cu 0.654301 0.997459 0.5 225 63.546 3.01993 -3.42178 63.546000 Cu 0.529013 0.993544 3.00089e-16 198 63.546 0.763932 -3.42977 63.546000 Cu 0.563796 0.973786 0.5 199 63.546 0.0337209 -3.50298 63.546000 Cu 0.68127 0.978549 2.79219e-16 201 63.546 0.0531371 -3.50734 63.546000 Cu 0.830752 0.964366 1 186 63.546 0.0187877 -3.51402 63.546000 Cu 0.947902 0.9689 0.5 192 63.546 0.0358554 -3.49348 63.546000 Cu 0.804219 0.983571 0.5 202 63.546 0.619603 -3.43959 63.546000 Cu 0.920061 0.989408 1.03569e-15 203 63.546 0.751639 -3.39026