Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.4069 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 73.5374 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61688 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 0.0806827 0.0456886 0 225 63.546 0.739409 -3.43088 63.546000 Cu 0.0515884 0.0147483 0.5 226 63.546 8.11913 -3.47479 63.546000 Cu 0.15232 0.0145628 0 228 63.546 2.10228 -3.52394 63.546000 Cu 0.167346 0.0406616 0.5 231 63.546 0.485148 -3.47667 63.546000 Cu 0.261967 0.0388732 1 229 63.546 0.584854 -3.50385 63.546000 Cu 0.253256 0.0145569 0.5 230 63.546 1.08559 -3.51105 63.546000 Cu 0.349236 0.0145587 1 232 63.546 6.77044 -3.23486 63.546000 Cu 0.465891 0.0305505 2.79378e-17 233 63.546 9.19749 -3.28941 63.546000 Cu 0.36776 0.0353768 0.5 235 63.546 3.71146 -3.44747 63.546000 Cu 0.4857 0.0525268 0.5 255 63.546 0.673925 -3.46015 63.546000 Cu 0.65232 0.0145628 0 210 63.546 2.10228 -3.52394 63.546000 Cu 0.551588 0.0147483 0.5 211 63.546 8.11913 -3.47479 63.546000 Cu 0.580683 0.0456886 1 216 63.546 0.739409 -3.43088 63.546000 Cu 0.667346 0.0406616 0.5 218 63.546 0.485148 -3.47667 63.546000 Cu 0.753256 0.0145569 0.5 213 63.546 1.08559 -3.51105 63.546000 Cu 0.761967 0.0388732 5.99523e-20 220 63.546 0.584854 -3.50385 63.546000 Cu 0.849236 0.0145587 3.67208e-17 212 63.546 6.77044 -3.23486 63.546000 Cu 0.86776 0.0353768 0.5 222 63.546 3.71146 -3.44747 63.546000 Cu 0.965891 0.0305505 1 224 63.546 9.19749 -3.28941 63.546000 Cu 0.9857 0.0525268 0.5 227 63.546 0.673925 -3.46015 63.546000 Cu 0.114606 0.0958137 8.12054e-17 246 63.546 0.00994329 -3.5342 63.546000 Cu 0.0975299 0.0711997 0.5 247 63.546 0.0706163 -3.51733 63.546000 Cu 0.189442 0.0669304 6.96346e-17 249 63.546 0.0947237 -3.50738 63.546000 Cu 0.210199 0.0912369 0.5 252 63.546 0.0187464 -3.53169 63.546000 Cu 0.00162481 0.0759403 5.99523e-20 245 63.546 0.0523834 -3.54394 63.546000 Cu 0.019034 0.100197 0.5 248 63.546 0.00621346 -3.54313 63.546000 Cu 0.305914 0.0862543 3.59714e-19 250 63.546 0.00875769 -3.53817 63.546000 Cu 0.283973 0.0622684 0.5 251 63.546 0.121997 -3.54233 63.546000 Cu 0.382938 0.057971 5.09595e-19 253 63.546 0.0705645 -3.52477 63.546000 Cu 0.403482 0.081044 0.5 256 63.546 0.0267928 -3.54684 63.546000 Cu 0.326547 0.110127 0.5 273 63.546 0.0020687 -3.54041 63.546000 Cu 0.422966 0.104999 0 275 63.546 0.00896819 -3.54422 63.546000 Cu 0.501625 0.0759403 2.90769e-18 254 63.546 0.0523834 -3.54394 63.546000 Cu 0.519034 0.100197 0.5 276 63.546 0.00621346 -3.54313 63.546000 Cu 0.689442 0.0669304 3.59714e-19 217 63.546 0.0947237 -3.50738 63.546000 Cu 0.59753 0.0711997 0.5 219 63.546 0.0706163 -3.51733 63.546000 Cu 0.614606 0.0958137 2.21224e-17 237 63.546 0.00994329 -3.5342 63.546000 Cu 0.710199 0.0912369 0.5 239 63.546 0.0187464 -3.53169 63.546000 Cu 0.882938 0.057971 8.81299e-18 221 63.546 0.0705645 -3.52477 63.546000 Cu 0.783973 0.0622684 0.5 223 63.546 0.121997 -3.54233 63.546000 Cu 0.805914 0.0862543 5.99523e-20 241 63.546 0.00875769 -3.53817 63.546000 Cu 0.922966 0.104999 8.99285e-20 242 63.546 0.00896819 -3.54422 63.546000 Cu 0.903482 0.081044 0.5 243 63.546 0.0267928 -3.54684 63.546000 Cu 0.826547 0.110127 0.5 244 63.546 0.0020687 -3.54041 63.546000 Cu 0.0375984 0.12457 1 267 63.546 0.00116621 -3.53905 63.546000 Cu 0.152932 0.144012 5.09595e-19 268 63.546 0.000877666 -3.53968 63.546000 Cu 0.133533 0.119961 0.5 269 63.546 0.00337966 -3.53836 63.546000 Cu 0.0568148 0.148787 0.5 270 63.546 0.000767067 -3.53893 63.546000 Cu 0.229912 0.115189 0 271 63.546 0.00250324 -3.53808 63.546000 Cu 0.249405 0.139113 0.5 274 63.546 0.000257613 -3.54059 63.546000 Cu 0.268747 0.163147 1 292 63.546 0.000491076 -3.54075 63.546000 Cu 0.345909 0.134143 3.10253e-17 272 63.546 0.00186323 -3.541 63.546000 Cu 0.441965 0.129258 0.5 277 63.546 0.0015073 -3.54047 63.546000 Cu 0.364942 0.15829 0.5 294 63.546 0.000545234 -3.54046 63.546000 Cu 0.460914 0.153516 3.8969e-19 296 63.546 0.000116548 -3.53935 63.546000 Cu 0.537598 0.12457 1.66667e-17 236 63.546 0.00116621 -3.53905 63.546000 Cu 0.729912 0.115189 1.19905e-19 238 63.546 0.00250324 -3.53808 63.546000 Cu 0.633533 0.119961 0.5 240 63.546 0.00337966 -3.53836 63.546000 Cu 0.556815 0.148787 0.5 258 63.546 0.000767067 -3.53893 63.546000 Cu 0.652932 0.144012 1 259 63.546 0.000877666 -3.53968 63.546000 Cu 0.749405 0.139113 0.5 261 63.546 0.000257613 -3.54059 63.546000 Cu 0.768747 0.163147 7.7938e-19 260 63.546 0.000491076 -3.54075 63.546000 Cu 0.845909 0.134143 3.83995e-17 263 63.546 0.00186323 -3.541 63.546000 Cu 0.960914 0.153516 3.59714e-19 264 63.546 0.000116548 -3.53935 63.546000 Cu 0.941965 0.129258 0.5 265 63.546 0.0015073 -3.54047 63.546000 Cu 0.864942 0.15829 0.5 266 63.546 0.000545234 -3.54046 63.546000 Cu 0.0760714 0.172906 5.99523e-20 288 63.546 0.000359178 -3.53954 63.546000 Cu 0.191714 0.192107 4.79618e-19 289 63.546 0.000179785 -3.54027 63.546000 Cu 0.172381 0.16805 0.5 290 63.546 5.2262e-05 -3.54017 63.546000 Cu 0.0954049 0.196985 0.5 291 63.546 5.00619e-05 -3.54006 63.546000 Cu 0.114831 0.221077 1 310 63.546 5.05047e-05 -3.54016 63.546000 Cu 0.21099 0.216227 0.5 312 63.546 0.00015118 -3.54014 63.546000 Cu 0.383968 0.182478 5.09595e-19 293 63.546 2.66117e-05 -3.5398 63.546000 Cu 0.287919 0.187267 0.5 295 63.546 0.00024821 -3.54021 63.546000 Cu 0.479948 0.177704 0.5 297 63.546 0.000248219 -3.53942 63.546000 Cu 0.307058 0.211426 5.99523e-19 314 63.546 4.29295e-05 -3.53988 63.546000 Cu 0.403117 0.206647 0.5 316 63.546 0.000102197 -3.53971 63.546000 Cu 0.499194 0.20184 2.93167e-17 318 63.546 0.000213784 -3.53974 63.546000 Cu 0.576071 0.172906 3.59714e-19 257 63.546 0.000359178 -3.53954 63.546000 Cu 0.672381 0.16805 0.5 262 63.546 5.2262e-05 -3.54017 63.546000 Cu 0.614831 0.221077 9.98206e-18 278 63.546 5.05047e-05 -3.54016 63.546000 Cu 0.595405 0.196985 0.5 279 63.546 5.00619e-05 -3.54006 63.546000 Cu 0.691714 0.192107 2.41908e-17 280 63.546 0.000179785 -3.54027 63.546000 Cu 0.71099 0.216227 0.5 283 63.546 0.00015118 -3.54014 63.546000 Cu 0.807058 0.211426 6.40291e-17 281 63.546 4.29295e-05 -3.53988 63.546000 Cu 0.787919 0.187267 0.5 282 63.546 0.00024821 -3.54021 63.546000 Cu 0.883968 0.182478 4.79618e-19 284 63.546 2.66117e-05 -3.5398 63.546000 Cu 0.999194 0.20184 5.39571e-19 285 63.546 0.000213784 -3.53974 63.546000 Cu 0.979948 0.177704 0.5 286 63.546 0.000248219 -3.53942 63.546000 Cu 0.903117 0.206647 0.5 287 63.546 0.000102197 -3.53971 63.546000 Cu 0.0380682 0.250048 3.71704e-17 307 63.546 2.50354e-05 -3.54026 63.546000 Cu 0.230311 0.24038 8.71407e-17 311 63.546 4.72724e-05 -3.53993 63.546000 Cu 0.13424 0.2452 0.5 313 63.546 8.13729e-05 -3.5401 63.546000 Cu 0.0574945 0.274178 0.5 330 63.546 3.85951e-05 -3.5403 63.546000 Cu 0.153644 0.269346 3.5162e-17 332 63.546 6.26149e-05 -3.54005 63.546000 Cu 0.249699 0.264552 0.5 334 63.546 2.44394e-06 -3.53988 63.546000 Cu 0.018621 0.225944 0.5 308 63.546 2.02668e-05 -3.54001 63.546000 Cu 0.422422 0.230789 1 315 63.546 0.000143937 -3.53987 63.546000 Cu 0.326356 0.235587 0.5 317 63.546 2.51168e-05 -3.53981 63.546000 Cu 0.345721 0.259753 6.89452e-19 336 63.546 9.36952e-05 -3.53999 63.546000 Cu 0.441858 0.254909 0.5 338 63.546 3.70761e-05 -3.5402 63.546000 Cu 0.518621 0.225944 0.5 319 63.546 2.02668e-05 -3.54001 63.546000 Cu 0.538068 0.250048 1.22572e-16 298 63.546 2.50354e-05 -3.54026 63.546000 Cu 0.653644 0.269346 8.99285e-20 299 63.546 6.26149e-05 -3.54005 63.546000 Cu 0.63424 0.2452 0.5 300 63.546 8.13729e-05 -3.5401 63.546000 Cu 0.557495 0.274178 0.5 301 63.546 3.85951e-05 -3.5403 63.546000 Cu 0.730311 0.24038 1 302 63.546 4.72724e-05 -3.53993 63.546000 Cu 0.749699 0.264552 0.5 305 63.546 2.44394e-06 -3.53988 63.546000 Cu 0.845721 0.259753 3.62711e-17 303 63.546 9.36952e-05 -3.53999 63.546000 Cu 0.826356 0.235587 0.5 304 63.546 2.51168e-05 -3.53981 63.546000 Cu 0.922422 0.230789 4.80518e-17 306 63.546 0.000143937 -3.53987 63.546000 Cu 0.941858 0.254909 0.5 309 63.546 3.70761e-05 -3.5402 63.546000 Cu 0.0769625 0.298315 1.23802e-17 329 63.546 8.90223e-05 -3.53987 63.546000 Cu 0.173011 0.293507 0.5 335 63.546 1.48414e-05 -3.53985 63.546000 Cu 0.0963329 0.322458 0.5 351 63.546 6.45734e-05 -3.53967 63.546000 Cu 0.192362 0.317672 0 353 63.546 1.78166e-05 -3.53985 63.546000 Cu 0.000233797 0.327259 1.19905e-19 349 63.546 0.000163736 -3.5397 63.546000 Cu 0.269066 0.288719 1.19905e-19 333 63.546 4.55124e-05 -3.53995 63.546000 Cu 0.461322 0.279041 6.89452e-19 337 63.546 6.02798e-06 -3.54038 63.546000 Cu 0.365177 0.283902 0.5 339 63.546 8.79626e-05 -3.5402 63.546000 Cu 0.288428 0.312869 0.5 355 63.546 0.000119734 -3.54001 63.546000 Cu 0.384602 0.308025 0 357 63.546 5.51597e-05 -3.54012 63.546000 Cu 0.480825 0.30316 0.5 359 63.546 4.55328e-05 -3.54002 63.546000 Cu 0.404014 0.332113 0.5 360 63.546 2.37157e-05 -3.54001 63.546000 Cu 0.500234 0.327259 1.21643e-16 358 63.546 0.000163736 -3.5397 63.546000 Cu 0.576963 0.298315 0 320 63.546 8.90223e-05 -3.53987 63.546000 Cu 0.692362 0.317672 3.69606e-17 321 63.546 1.78166e-05 -3.53985 63.546000 Cu 0.673011 0.293507 0.5 322 63.546 1.48414e-05 -3.53985 63.546000 Cu 0.596333 0.322458 0.5 323 63.546 6.45734e-05 -3.53967 63.546000 Cu 0.769066 0.288719 2.09833e-19 324 63.546 4.55124e-05 -3.53995 63.546000 Cu 0.884602 0.308025 4.80818e-17 325 63.546 5.51597e-05 -3.54012 63.546000 Cu 0.865177 0.283902 0.5 326 63.546 8.79626e-05 -3.5402 63.546000 Cu 0.788428 0.312869 0.5 327 63.546 0.000119734 -3.54001 63.546000 Cu 0.961322 0.279041 7.58097e-17 328 63.546 6.02798e-06 -3.54038 63.546000 Cu 0.980825 0.30316 0.5 331 63.546 4.55328e-05 -3.54002 63.546000 Cu 0.904014 0.332113 0.5 347 63.546 2.37157e-05 -3.54001 63.546000 Cu 0.115578 0.346615 2.99762e-20 350 63.546 1.1842e-05 -3.53985 63.546000 Cu 0.211669 0.34183 0.5 356 63.546 0.000148308 -3.54019 63.546000 Cu 0.0388529 0.375571 1.22303e-16 371 63.546 0.00010626 -3.53918 63.546000 Cu 0.134771 0.370787 0.5 373 63.546 0.000305067 -3.54035 63.546000 Cu 0.230962 0.365956 1 375 63.546 0.000346367 -3.54076 63.546000 Cu 0.0195528 0.351391 0.5 352 63.546 0.000168652 -3.53945 63.546000 Cu 0.307816 0.336993 0 354 63.546 0.00012294 -3.54022 63.546000 Cu 0.346845 0.385121 1.49881e-19 376 63.546 0.000600443 -3.53968 63.546000 Cu 0.327269 0.361084 0.5 377 63.546 6.67169e-05 -3.54034 63.546000 Cu 0.42352 0.356205 0 379 63.546 0.000267481 -3.53968 63.546000 Cu 0.442978 0.380327 0.5 381 63.546 0.000680098 -3.53882 63.546000 Cu 0.519553 0.351391 0.5 380 63.546 0.000168652 -3.53945 63.546000 Cu 0.538853 0.375571 2.03238e-17 340 63.546 0.00010626 -3.53918 63.546000 Cu 0.615578 0.346615 0 341 63.546 1.1842e-05 -3.53985 63.546000 Cu 0.730962 0.365956 5.77341e-17 342 63.546 0.000346367 -3.54076 63.546000 Cu 0.711669 0.34183 0.5 343 63.546 0.000148308 -3.54019 63.546000 Cu 0.634771 0.370787 0.5 344 63.546 0.000305067 -3.54035 63.546000 Cu 0.807816 0.336993 5.62652e-17 345 63.546 0.00012294 -3.54022 63.546000 Cu 0.92352 0.356205 5.88732e-17 346 63.546 0.000267481 -3.53968 63.546000 Cu 0.827269 0.361084 0.5 348 63.546 6.67169e-05 -3.54034 63.546000 Cu 0.846845 0.385121 0 367 63.546 0.000600443 -3.53968 63.546000 Cu 0.942978 0.380327 0.5 369 63.546 0.000680098 -3.53882 63.546000 Cu 0.153976 0.394951 3.59714e-19 372 63.546 0.00149307 -3.54093 63.546000 Cu 0.0579951 0.399819 0.5 374 63.546 0.000935345 -3.54041 63.546000 Cu 0.0771166 0.424104 5.59355e-17 392 63.546 0.00812425 -3.54432 63.546000 Cu 0.194251 0.442916 1 393 63.546 0.00848648 -3.53816 63.546000 Cu 0.173445 0.419011 0.5 394 63.546 0.00227535 -3.54045 63.546000 Cu 0.250351 0.390016 0.5 378 63.546 0.000355681 -3.54063 63.546000 Cu 0.270034 0.413961 5.75542e-18 396 63.546 0.00198497 -3.53827 63.546000 Cu 0.385484 0.433319 1 397 63.546 0.00960973 -3.53456 63.546000 Cu 0.366395 0.409167 0.5 398 63.546 0.00306781 -3.53852 63.546000 Cu 0.289867 0.437941 0.5 399 63.546 0.016423 -3.53188 63.546000 Cu 0.462333 0.404526 1.67866e-18 400 63.546 0.00116288 -3.539 63.546000 Cu 0.481066 0.42889 0.5 401 63.546 0.00490178 -3.54325 63.546000 Cu 0.577117 0.424104 5.42269e-17 361 63.546 0.00812425 -3.54432 63.546000 Cu 0.557995 0.399819 0.5 362 63.546 0.000935345 -3.54041 63.546000 Cu 0.653976 0.394951 0 363 63.546 0.00149307 -3.54093 63.546000 Cu 0.673445 0.419011 0.5 366 63.546 0.00227535 -3.54045 63.546000 Cu 0.694251 0.442916 1 384 63.546 0.00848648 -3.53816 63.546000 Cu 0.770034 0.413961 1.628e-16 364 63.546 0.00198497 -3.53827 63.546000 Cu 0.750351 0.390016 0.5 365 63.546 0.000355681 -3.54063 63.546000 Cu 0.962333 0.404526 1.22063e-16 368 63.546 0.00116288 -3.539 63.546000 Cu 0.866395 0.409167 0.5 370 63.546 0.00306781 -3.53852 63.546000 Cu 0.789867 0.437941 0.5 386 63.546 0.016423 -3.53188 63.546000 Cu 0.885484 0.433319 2.42807e-17 388 63.546 0.00960973 -3.53456 63.546000 Cu 0.981066 0.42889 0.5 390 63.546 0.00490178 -3.54325 63.546000 Cu 0.0966873 0.448093 0.5 395 63.546 0.0264942 -3.54696 63.546000 Cu 0.117225 0.471205 6.59475e-19 409 63.546 0.0707378 -3.52533 63.546000 Cu 0.238255 0.490327 1 410 63.546 0.581643 -3.50327 63.546000 Cu 0.216166 0.46694 0.5 411 63.546 0.120682 -3.54229 63.546000 Cu 0.132374 0.493818 0.5 412 63.546 3.73321 -3.44699 63.546000 Cu 0.0145252 0.476622 0.5 408 63.546 0.683477 -3.46044 63.546000 Cu 0.0341949 0.498666 7.19428e-19 407 63.546 9.22117 -3.29031 63.546000 Cu 0.498643 0.453178 1.49881e-19 3 63.546 0.0498804 -3.5438 63.546000 Cu 0.333 0.488514 0.5 7 63.546 0.502714 -3.47623 63.546000 Cu 0.402757 0.457922 0.5 9 63.546 0.0684993 -3.51728 63.546000 Cu 0.419557 0.483433 5.64151e-17 204 63.546 0.747983 -3.42868 63.546000 Cu 0.31076 0.462242 1.49881e-19 208 63.546 0.0937636 -3.50782 63.546000 Cu 0.514525 0.476622 0.5 1 63.546 0.683477 -3.46044 63.546000 Cu 0.617225 0.471205 1 382 63.546 0.0707378 -3.52533 63.546000 Cu 0.596687 0.448093 0.5 383 63.546 0.0264942 -3.54696 63.546000 Cu 0.716166 0.46694 0.5 387 63.546 0.120682 -3.54229 63.546000 Cu 0.632374 0.493818 0.5 403 63.546 3.73321 -3.44699 63.546000 Cu 0.738255 0.490327 2.99762e-20 404 63.546 0.581643 -3.50327 63.546000 Cu 0.534195 0.498666 3.11152e-17 402 63.546 9.22117 -3.29031 63.546000 Cu 0.81076 0.462242 0 385 63.546 0.0937636 -3.50782 63.546000 Cu 0.998643 0.453178 6.13612e-17 389 63.546 0.0498804 -3.5438 63.546000 Cu 0.902757 0.457922 0.5 391 63.546 0.0684993 -3.51728 63.546000 Cu 0.833 0.488514 0.5 405 63.546 0.502714 -3.47623 63.546000 Cu 0.919557 0.483433 0 406 63.546 0.747983 -3.42868 63.546000 Cu 0.151028 0.514622 8.99285e-19 2 63.546 6.77852 -3.23523 63.546000 Cu 0.0341389 0.530531 1 18 63.546 9.24009 -3.28994 63.546000 Cu 0.132406 0.535436 0.5 20 63.546 3.73665 -3.44673 63.546000 Cu 0.0145231 0.552558 0.5 21 63.546 0.69781 -3.4591 63.546000 Cu 0.247018 0.514619 0.5 5 63.546 1.08365 -3.5113 63.546000 Cu 0.238298 0.538935 0 22 63.546 0.589885 -3.50357 63.546000 Cu 0.347962 0.514598 0 4 63.546 2.10166 -3.52363 63.546000 Cu 0.448665 0.514534 0.5 6 63.546 8.10455 -3.47382 63.546000 Cu 0.332927 0.540709 0.5 24 63.546 0.49981 -3.47507 63.546000 Cu 0.419517 0.545746 0 26 63.546 0.77243 -3.42763 63.546000 Cu 0.534139 0.530531 1 8 63.546 9.24009 -3.28994 63.546000 Cu 0.651028 0.514622 1 10 63.546 6.77852 -3.23523 63.546000 Cu 0.632406 0.535436 0.5 13 63.546 3.73665 -3.44673 63.546000 Cu 0.514523 0.552558 0.5 29 63.546 0.69781 -3.4591 63.546000 Cu 0.738298 0.538935 0 11 63.546 0.589885 -3.50357 63.546000 Cu 0.747018 0.514619 0.5 12 63.546 1.08365 -3.5113 63.546000 Cu 0.847962 0.514598 1 14 63.546 2.10166 -3.52363 63.546000 Cu 0.919517 0.545746 1 15 63.546 0.77243 -3.42763 63.546000 Cu 0.948665 0.514534 0.5 16 63.546 8.10455 -3.47382 63.546000 Cu 0.832927 0.540709 0.5 17 63.546 0.49981 -3.47507 63.546000 Cu 0.117278 0.558002 2.97963e-17 19 63.546 0.0692055 -3.52487 63.546000 Cu 0.21631 0.562323 0.5 25 63.546 0.122907 -3.54252 63.546000 Cu 0.0774565 0.605029 0 39 63.546 0.00934925 -3.54421 63.546000 Cu 0.0968528 0.581082 0.5 40 63.546 0.0264151 -3.54682 63.546000 Cu 0.194448 0.586304 0 42 63.546 0.00870237 -3.53837 63.546000 Cu 0.173923 0.610164 0.5 45 63.546 0.00180322 -3.54038 63.546000 Cu 0.310864 0.566996 1 23 63.546 0.0970254 -3.50723 63.546000 Cu 0.40279 0.57125 0.5 27 63.546 0.0709014 -3.51681 63.546000 Cu 0.290209 0.591293 0.5 44 63.546 0.0191151 -3.53165 63.546000 Cu 0.385823 0.595859 0 46 63.546 0.00997426 -3.53411 63.546000 Cu 0.498717 0.575978 3.34834e-17 28 63.546 0.0521935 -3.54361 63.546000 Cu 0.481366 0.600235 0.5 49 63.546 0.00634607 -3.54309 63.546000 Cu 0.617278 0.558002 1 30 63.546 0.0692055 -3.52487 63.546000 Cu 0.694448 0.586304 3.36932e-17 31 63.546 0.00870237 -3.53837 63.546000 Cu 0.71631 0.562323 0.5 32 63.546 0.122907 -3.54252 63.546000 Cu 0.596853 0.581082 0.5 33 63.546 0.0264151 -3.54682 63.546000 Cu 0.577456 0.605029 1.22602e-17 50 63.546 0.00934925 -3.54421 63.546000 Cu 0.673923 0.610164 0.5 52 63.546 0.00180322 -3.54038 63.546000 Cu 0.998717 0.575978 6.84056e-17 38 63.546 0.0521935 -3.54361 63.546000 Cu 0.981366 0.600235 0.5 41 63.546 0.00634607 -3.54309 63.546000 Cu 0.810864 0.566996 0 34 63.546 0.0970254 -3.50723 63.546000 Cu 0.885823 0.595859 0 35 63.546 0.00997426 -3.53411 63.546000 Cu 0.90279 0.57125 0.5 36 63.546 0.0709014 -3.51681 63.546000 Cu 0.790209 0.591293 0.5 37 63.546 0.0191151 -3.53165 63.546000 Cu 0.0395189 0.653533 9.89213e-19 59 63.546 0.00012751 -3.53939 63.546000 Cu 0.0585024 0.629282 0.5 60 63.546 0.00164955 -3.54047 63.546000 Cu 0.154539 0.63417 2.72783e-17 62 63.546 0.00194966 -3.54096 63.546000 Cu 0.135465 0.658304 0.5 65 63.546 0.000629386 -3.54045 63.546000 Cu 0.231638 0.663163 1 63 63.546 0.000624638 -3.54082 63.546000 Cu 0.270563 0.615236 2.84773e-18 43 63.546 0.00259374 -3.53816 63.546000 Cu 0.366929 0.620012 0.5 47 63.546 0.00371717 -3.53837 63.546000 Cu 0.462858 0.624607 1.72962e-17 48 63.546 0.00122106 -3.53899 63.546000 Cu 0.251045 0.639153 0.5 64 63.546 0.000235165 -3.54057 63.546000 Cu 0.347547 0.644054 1.79857e-19 66 63.546 0.00111037 -3.53963 63.546000 Cu 0.443653 0.648817 0.5 68 63.546 0.000826482 -3.53885 63.546000 Cu 0.654539 0.63417 2.7698e-17 51 63.546 0.00194966 -3.54096 63.546000 Cu 0.558502 0.629282 0.5 53 63.546 0.00164955 -3.54047 63.546000 Cu 0.539519 0.653533 0 70 63.546 0.00012751 -3.53939 63.546000 Cu 0.635465 0.658304 0.5 72 63.546 0.000629386 -3.54045 63.546000 Cu 0.731638 0.663163 0 74 63.546 0.000624638 -3.54082 63.546000 Cu 0.770563 0.615236 0 54 63.546 0.00259374 -3.53816 63.546000 Cu 0.847547 0.644054 0 55 63.546 0.00111037 -3.53963 63.546000 Cu 0.866929 0.620012 0.5 56 63.546 0.00371717 -3.53837 63.546000 Cu 0.751045 0.639153 0.5 57 63.546 0.000235165 -3.54057 63.546000 Cu 0.962858 0.624607 0 58 63.546 0.00122106 -3.53899 63.546000 Cu 0.943653 0.648817 0.5 61 63.546 0.000826482 -3.53885 63.546000 Cu 0.00118471 0.701847 2.99762e-20 79 63.546 0.000193163 -3.5396 63.546000 Cu 0.0204061 0.677722 0.5 80 63.546 0.000223064 -3.53947 63.546000 Cu 0.116403 0.682485 0 82 63.546 3.12327e-05 -3.53988 63.546000 Cu 0.193334 0.711425 0 83 63.546 3.48698e-05 -3.53993 63.546000 Cu 0.212452 0.687278 0.5 84 63.546 0.000267484 -3.54037 63.546000 Cu 0.0972644 0.706643 0.5 85 63.546 6.54559e-05 -3.53962 63.546000 Cu 0.424328 0.672936 0 67 63.546 0.000444886 -3.53947 63.546000 Cu 0.328041 0.668074 0.5 69 63.546 7.84616e-05 -3.54028 63.546000 Cu 0.308669 0.692128 0 86 63.546 0.000154285 -3.54034 63.546000 Cu 0.385611 0.721084 1.22003e-16 87 63.546 4.44903e-05 -3.54015 63.546000 Cu 0.404957 0.697002 0.5 88 63.546 2.83267e-05 -3.5399 63.546000 Cu 0.289444 0.716236 0.5 89 63.546 0.000110112 -3.54015 63.546000 Cu 0.616403 0.682485 8.61814e-17 71 63.546 3.12327e-05 -3.53988 63.546000 Cu 0.520406 0.677722 0.5 73 63.546 0.000223064 -3.53947 63.546000 Cu 0.712452 0.687278 0.5 77 63.546 0.000267484 -3.54037 63.546000 Cu 0.501185 0.701847 0 90 63.546 0.000193163 -3.5396 63.546000 Cu 0.597264 0.706643 0.5 92 63.546 6.54559e-05 -3.53962 63.546000 Cu 0.693334 0.711425 1 94 63.546 3.48698e-05 -3.53993 63.546000 Cu 0.808669 0.692128 3.8969e-19 75 63.546 0.000154285 -3.54034 63.546000 Cu 0.828041 0.668074 0.5 76 63.546 7.84616e-05 -3.54028 63.546000 Cu 0.924328 0.672936 0 78 63.546 0.000444886 -3.53947 63.546000 Cu 0.904957 0.697002 0.5 81 63.546 2.83267e-05 -3.5399 63.546000 Cu 0.789444 0.716236 0.5 96 63.546 0.000110112 -3.54015 63.546000 Cu 0.885611 0.721084 4.79618e-19 98 63.546 4.44903e-05 -3.54015 63.546000 Cu 0.0780235 0.730772 1.49881e-19 102 63.546 0.000111795 -3.53977 63.546000 Cu 0.154734 0.759721 0 103 63.546 5.36528e-05 -3.53994 63.546000 Cu 0.174118 0.735575 0.5 104 63.546 5.18859e-05 -3.53982 63.546000 Cu 0.0586071 0.754882 0.5 105 63.546 2.59676e-05 -3.54009 63.546000 Cu 0.270174 0.740377 1 106 63.546 4.15859e-05 -3.53999 63.546000 Cu 0.346866 0.769338 0 107 63.546 2.31104e-05 -3.54008 63.546000 Cu 0.366277 0.745202 0.5 108 63.546 4.02136e-05 -3.54014 63.546000 Cu 0.250784 0.76453 0.5 109 63.546 3.36126e-06 -3.54001 63.546000 Cu 0.442985 0.774164 0.5 110 63.546 2.4943e-05 -3.54018 63.546000 Cu 0.46243 0.750038 1.06925e-16 111 63.546 2.37011e-05 -3.54017 63.546000 Cu 0.481836 0.725939 0.5 93 63.546 2.45133e-05 -3.53991 63.546000 Cu 0.578023 0.730772 6.82257e-17 91 63.546 0.000111795 -3.53977 63.546000 Cu 0.674118 0.735575 0.5 97 63.546 5.18859e-05 -3.53982 63.546000 Cu 0.558607 0.754882 0.5 113 63.546 2.59676e-05 -3.54009 63.546000 Cu 0.654734 0.759721 0 114 63.546 5.36528e-05 -3.53994 63.546000 Cu 0.981836 0.725939 0.5 100 63.546 2.45133e-05 -3.53991 63.546000 Cu 0.770174 0.740377 1.22632e-16 95 63.546 4.15859e-05 -3.53999 63.546000 Cu 0.96243 0.750038 1 99 63.546 2.37011e-05 -3.54017 63.546000 Cu 0.866277 0.745202 0.5 101 63.546 4.02136e-05 -3.54014 63.546000 Cu 0.750784 0.76453 0.5 116 63.546 3.36126e-06 -3.54001 63.546000 Cu 0.846866 0.769338 0 118 63.546 2.31104e-05 -3.54008 63.546000 Cu 0.942985 0.774164 0.5 120 63.546 2.4943e-05 -3.54018 63.546000 Cu 0.0391294 0.779007 1 122 63.546 7.12441e-06 -3.5403 63.546000 Cu 0.115773 0.807982 0 123 63.546 2.79744e-05 -3.54014 63.546000 Cu 0.135245 0.783856 0.5 124 63.546 2.66277e-05 -3.54013 63.546000 Cu 0.0195857 0.803129 0.5 125 63.546 2.4415e-05 -3.5401 63.546000 Cu 0.211927 0.812821 0.5 129 63.546 4.63146e-05 -3.54013 63.546000 Cu 9.83902e-05 0.827239 1 142 63.546 0.000139668 -3.53974 63.546000 Cu 0.096299 0.832078 0.5 144 63.546 2.95976e-05 -3.54006 63.546000 Cu 0.231348 0.788684 4.2716e-17 126 63.546 2.40843e-05 -3.54001 63.546000 Cu 0.308003 0.817639 0 127 63.546 1.87855e-05 -3.53985 63.546000 Cu 0.327422 0.79349 0.5 128 63.546 5.33814e-06 -3.53979 63.546000 Cu 0.423448 0.798295 4.0228e-17 130 63.546 6.43066e-05 -3.53984 63.546000 Cu 0.404004 0.82244 0.5 131 63.546 7.2894e-05 -3.53965 63.546000 Cu 0.539129 0.779007 5.99523e-20 112 63.546 7.12441e-06 -3.5403 63.546000 Cu 0.635245 0.783856 0.5 117 63.546 2.66277e-05 -3.54013 63.546000 Cu 0.500098 0.827239 4.48743e-17 132 63.546 0.000139668 -3.53974 63.546000 Cu 0.519586 0.803129 0.5 133 63.546 2.4415e-05 -3.5401 63.546000 Cu 0.615773 0.807982 0 134 63.546 2.79744e-05 -3.54014 63.546000 Cu 0.711927 0.812821 0.5 136 63.546 4.63146e-05 -3.54013 63.546000 Cu 0.596299 0.832078 0.5 137 63.546 2.95976e-05 -3.54006 63.546000 Cu 0.731348 0.788684 9.58637e-17 115 63.546 2.40843e-05 -3.54001 63.546000 Cu 0.923448 0.798295 0 119 63.546 6.43066e-05 -3.53984 63.546000 Cu 0.827422 0.79349 0.5 121 63.546 5.33814e-06 -3.53979 63.546000 Cu 0.808003 0.817639 0 138 63.546 1.87855e-05 -3.53985 63.546000 Cu 0.904004 0.82244 0.5 140 63.546 7.2894e-05 -3.53965 63.546000 Cu 0.0768012 0.85618 0 143 63.546 0.000263755 -3.5396 63.546000 Cu 0.192517 0.836955 0 146 63.546 0.000103651 -3.54034 63.546000 Cu 0.173031 0.861048 0.5 149 63.546 5.55475e-05 -3.5403 63.546000 Cu 0.0573231 0.880305 0.5 164 63.546 0.000797815 -3.53872 63.546000 Cu 0.153467 0.885094 0 166 63.546 0.000695574 -3.53973 63.546000 Cu 0.269336 0.865931 1 147 63.546 0.000313232 -3.54085 63.546000 Cu 0.288652 0.841801 0.5 148 63.546 0.000142694 -3.54031 63.546000 Cu 0.384741 0.8466 2.59294e-17 150 63.546 2.38742e-05 -3.53989 63.546000 Cu 0.365554 0.87078 0.5 151 63.546 0.000377143 -3.54049 63.546000 Cu 0.461473 0.875563 0 152 63.546 0.000130522 -3.53912 63.546000 Cu 0.480757 0.851375 0.5 153 63.546 0.000155902 -3.53936 63.546000 Cu 0.692517 0.836955 0 135 63.546 0.000103651 -3.54034 63.546000 Cu 0.576801 0.85618 0 154 63.546 0.000263755 -3.5396 63.546000 Cu 0.653467 0.885094 2.91368e-17 155 63.546 0.000695574 -3.53973 63.546000 Cu 0.673031 0.861048 0.5 156 63.546 5.55475e-05 -3.5403 63.546000 Cu 0.557323 0.880305 0.5 157 63.546 0.000797815 -3.53872 63.546000 Cu 0.980757 0.851375 0.5 145 63.546 0.000155902 -3.53936 63.546000 Cu 0.884741 0.8466 1 139 63.546 2.38742e-05 -3.53989 63.546000 Cu 0.788652 0.841801 0.5 141 63.546 0.000142694 -3.54031 63.546000 Cu 0.769336 0.865931 1.30097e-17 158 63.546 0.000313232 -3.54085 63.546000 Cu 0.865554 0.87078 0.5 160 63.546 0.000377143 -3.54049 63.546000 Cu 0.961473 0.875563 0 162 63.546 0.000130522 -3.53912 63.546000 Cu 0.038008 0.904517 0 163 63.546 0.00122883 -3.53896 63.546000 Cu 0.133946 0.90914 0.5 169 63.546 0.00344796 -3.53861 63.546000 Cu 0.0193246 0.928893 0.5 184 63.546 0.00529436 -3.54309 63.546000 Cu 0.114892 0.933298 4.25362e-17 186 63.546 0.00983077 -3.5344 63.546000 Cu 0.210524 0.937908 0.5 188 63.546 0.0172465 -3.5318 63.546000 Cu 0.230346 0.913936 1 167 63.546 0.00218108 -3.53829 63.546000 Cu 0.249982 0.889995 0.5 168 63.546 0.000376041 -3.54064 63.546000 Cu 0.346364 0.894947 8.50124e-17 170 63.546 0.00157533 -3.54098 63.546000 Cu 0.423281 0.924116 1 171 63.546 0.00893833 -3.54434 63.546000 Cu 0.442373 0.899823 0.5 172 63.546 0.00117634 -3.54046 63.546000 Cu 0.326937 0.919003 0.5 173 63.546 0.00234903 -3.54046 63.546000 Cu 0.306157 0.942903 0 190 63.546 0.00853931 -3.53826 63.546000 Cu 0.538008 0.904517 1 174 63.546 0.00122883 -3.53896 63.546000 Cu 0.614892 0.933298 0 175 63.546 0.00983077 -3.5344 63.546000 Cu 0.633946 0.90914 0.5 176 63.546 0.00344796 -3.53861 63.546000 Cu 0.519325 0.928893 0.5 177 63.546 0.00529436 -3.54309 63.546000 Cu 0.710524 0.937908 0.5 181 63.546 0.0172465 -3.5318 63.546000 Cu 0.749982 0.889995 0.5 161 63.546 0.000376041 -3.54064 63.546000 Cu 0.730346 0.913936 1 178 63.546 0.00218108 -3.53829 63.546000 Cu 0.846364 0.894947 3.27939e-17 159 63.546 0.00157533 -3.54098 63.546000 Cu 0.942373 0.899823 0.5 165 63.546 0.00117634 -3.54046 63.546000 Cu 0.806157 0.942903 1.7566e-17 179 63.546 0.00853931 -3.53826 63.546000 Cu 0.826937 0.919003 0.5 180 63.546 0.00234903 -3.54046 63.546000 Cu 0.923281 0.924116 1 182 63.546 0.00893833 -3.54434 63.546000 Cu 0.0018118 0.953176 1 183 63.546 0.0501636 -3.54388 63.546000 Cu 0.18963 0.9622 3.20745e-18 187 63.546 0.0961863 -3.50732 63.546000 Cu 0.0976574 0.9579 0.5 189 63.546 0.0689334 -3.51704 63.546000 Cu 0.0808046 0.98341 1.77759e-17 205 63.546 0.774859 -3.42587 63.546000 Cu 0.167349 0.988489 0.5 206 63.546 0.517041 -3.47477 63.546000 Cu 0.368011 0.993778 0.5 234 63.546 3.74447 -3.44618 63.546000 Cu 0.466321 0.998671 3.71405e-17 209 63.546 9.27767 -3.29062 63.546000 Cu 0.383245 0.9712 6.37893e-17 191 63.546 0.0687069 -3.52518 63.546000 Cu 0.403734 0.948098 0.5 192 63.546 0.026941 -3.54704 63.546000 Cu 0.284206 0.966902 0.5 193 63.546 0.12287 -3.54217 63.546000 Cu 0.262047 0.990268 3.74702e-17 207 63.546 0.592078 -3.50238 63.546000 Cu 0.485925 0.976635 0.5 197 63.546 0.706964 -3.45921 63.546000 Cu 0.501812 0.953176 0 194 63.546 0.0501636 -3.54388 63.546000 Cu 0.580805 0.98341 5.00602e-18 195 63.546 0.774859 -3.42587 63.546000 Cu 0.597657 0.9579 0.5 196 63.546 0.0689334 -3.51704 63.546000 Cu 0.68963 0.9622 0 198 63.546 0.0961863 -3.50732 63.546000 Cu 0.667349 0.988489 0.5 201 63.546 0.517041 -3.47477 63.546000 Cu 0.966321 0.998671 0 214 63.546 9.27767 -3.29062 63.546000 Cu 0.868011 0.993778 0.5 215 63.546 3.74447 -3.44618 63.546000 Cu 0.985925 0.976635 0.5 203 63.546 0.706964 -3.45921 63.546000 Cu 0.903734 0.948098 0.5 185 63.546 0.026941 -3.54704 63.546000 Cu 0.762047 0.990268 1 199 63.546 0.592078 -3.50238 63.546000 Cu 0.784206 0.966902 0.5 200 63.546 0.12287 -3.54217 63.546000 Cu 0.883245 0.9712 5.39571e-19 202 63.546 0.0687069 -3.52518