Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.4573 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 73.841 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60768 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 0.0819044 0.0260227 2.12292e-16 226 63.546 0.852815 -3.43204 63.546000 Cu 0.167609 0.0213819 0.5 228 63.546 0.471384 -3.46901 63.546000 Cu 0.262455 0.0198278 4.80842e-19 230 63.546 0.528076 -3.49844 63.546000 Cu 0.383581 0.0392384 1 231 63.546 0.12991 -3.52318 63.546000 Cu 0.366947 0.0164773 0.5 232 63.546 3.86156 -3.42465 63.546000 Cu 0.466159 0.0113747 1.12757e-16 234 63.546 9.21312 -3.35528 63.546000 Cu 0.485186 0.0328712 0.5 237 63.546 0.566987 -3.46364 63.546000 Cu 0.581904 0.0260227 1 235 63.546 0.852815 -3.43204 63.546000 Cu 0.762455 0.0198278 4.68821e-17 212 63.546 0.528076 -3.49844 63.546000 Cu 0.667609 0.0213819 0.5 213 63.546 0.471384 -3.46901 63.546000 Cu 0.966159 0.0113747 2.13734e-16 214 63.546 9.21312 -3.35528 63.546000 Cu 0.866947 0.0164773 0.5 215 63.546 3.86156 -3.42465 63.546000 Cu 0.883581 0.0392384 1.0843e-16 222 63.546 0.12991 -3.52318 63.546000 Cu 0.985186 0.0328712 0.5 224 63.546 0.566987 -3.46364 63.546000 Cu 0.00186398 0.0568554 7.78964e-17 223 63.546 0.0585091 -3.52954 63.546000 Cu 0.0972268 0.0517135 0.5 229 63.546 0.0692351 -3.53037 63.546000 Cu 0.0195791 0.0810848 0.5 245 63.546 0.0064053 -3.53862 63.546000 Cu 0.11464 0.0766895 1.12036e-16 247 63.546 0.0175989 -3.53836 63.546000 Cu 0.189424 0.0478965 1 227 63.546 0.157905 -3.52417 63.546000 Cu 0.284939 0.0428723 0.5 233 63.546 0.138424 -3.52567 63.546000 Cu 0.210453 0.0719905 0.5 249 63.546 0.017293 -3.53975 63.546000 Cu 0.30617 0.0671554 1 251 63.546 0.0172562 -3.53704 63.546000 Cu 0.404589 0.0619651 0.5 253 63.546 0.0318474 -3.53303 63.546000 Cu 0.501864 0.0568554 1 255 63.546 0.0585091 -3.52954 63.546000 Cu 0.61464 0.0766895 1 256 63.546 0.0175989 -3.53836 63.546000 Cu 0.597227 0.0517135 0.5 257 63.546 0.0692351 -3.53037 63.546000 Cu 0.519579 0.0810848 0.5 258 63.546 0.0064053 -3.53862 63.546000 Cu 0.689424 0.0478965 1 218 63.546 0.157905 -3.52417 63.546000 Cu 0.80617 0.0671554 1 219 63.546 0.0172562 -3.53704 63.546000 Cu 0.784939 0.0428723 0.5 220 63.546 0.138424 -3.52567 63.546000 Cu 0.710453 0.0719905 0.5 221 63.546 0.017293 -3.53975 63.546000 Cu 0.904589 0.0619651 0.5 225 63.546 0.0318474 -3.53303 63.546000 Cu 0.0380113 0.105511 1.06747e-16 244 63.546 0.00228179 -3.53973 63.546000 Cu 0.134092 0.10079 0.5 250 63.546 0.00245914 -3.53998 63.546000 Cu 0.153522 0.12488 1 269 63.546 0.000864275 -3.53992 63.546000 Cu 0.230243 0.0960678 1 248 63.546 0.00451481 -3.53981 63.546000 Cu 0.327036 0.0908834 0.5 254 63.546 0.00544743 -3.53969 63.546000 Cu 0.250064 0.119944 0.5 271 63.546 0.000864686 -3.5398 63.546000 Cu 0.423517 0.0859483 4.06312e-17 252 63.546 0.00715412 -3.53892 63.546000 Cu 0.346345 0.114995 1 273 63.546 0.00192571 -3.53973 63.546000 Cu 0.442429 0.110144 0.5 275 63.546 0.00118868 -3.53966 63.546000 Cu 0.538011 0.105511 1 277 63.546 0.00228179 -3.53973 63.546000 Cu 0.634092 0.10079 0.5 278 63.546 0.00245914 -3.53998 63.546000 Cu 0.653522 0.12488 1.39204e-16 238 63.546 0.000864275 -3.53992 63.546000 Cu 0.730243 0.0960678 1.12036e-16 239 63.546 0.00451481 -3.53981 63.546000 Cu 0.827036 0.0908834 0.5 241 63.546 0.00544743 -3.53969 63.546000 Cu 0.750064 0.119944 0.5 242 63.546 0.000864686 -3.5398 63.546000 Cu 0.846345 0.114995 1.36559e-16 240 63.546 0.00192571 -3.53973 63.546000 Cu 0.923517 0.0859483 0 243 63.546 0.00715412 -3.53892 63.546000 Cu 0.942429 0.110144 0.5 246 63.546 0.00118868 -3.53966 63.546000 Cu 0.0767589 0.153743 8.65516e-17 266 63.546 0.000221125 -3.53998 63.546000 Cu 0.0573628 0.129655 0.5 267 63.546 0.000741226 -3.53999 63.546000 Cu 0.269336 0.144009 1.20932e-16 270 63.546 0.000378917 -3.53986 63.546000 Cu 0.173075 0.14887 0.5 272 63.546 0.000141185 -3.53994 63.546000 Cu 0.461348 0.134416 1 274 63.546 0.000465785 -3.53991 63.546000 Cu 0.365466 0.139147 0.5 276 63.546 0.000457862 -3.53987 63.546000 Cu 0.384565 0.163327 6.34712e-17 294 63.546 8.5368e-05 -3.53995 63.546000 Cu 0.48064 0.158539 0.5 296 63.546 0.000183116 -3.53999 63.546000 Cu 0.557363 0.129655 0.5 279 63.546 0.000741226 -3.53999 63.546000 Cu 0.576759 0.153743 9.80918e-17 298 63.546 0.000221125 -3.53998 63.546000 Cu 0.673075 0.14887 0.5 260 63.546 0.000141185 -3.53994 63.546000 Cu 0.769336 0.144009 1 261 63.546 0.000378917 -3.53986 63.546000 Cu 0.884565 0.163327 3.14952e-17 262 63.546 8.5368e-05 -3.53995 63.546000 Cu 0.865466 0.139147 0.5 263 63.546 0.000457862 -3.53987 63.546000 Cu 0.961348 0.134416 5.84223e-17 265 63.546 0.000465785 -3.53991 63.546000 Cu 0.98064 0.158539 0.5 268 63.546 0.000183116 -3.53999 63.546000 Cu 0.115462 0.201868 1 287 63.546 3.51725e-05 -3.53994 63.546000 Cu 0.0961976 0.177787 0.5 288 63.546 4.46463e-05 -3.53996 63.546000 Cu 0.019269 0.206701 0.5 289 63.546 1.17206e-05 -3.53996 63.546000 Cu 0.192389 0.17294 2.36334e-16 290 63.546 0.000113294 -3.53993 63.546000 Cu 0.307705 0.192239 1.01458e-16 291 63.546 1.12721e-05 -3.53996 63.546000 Cu 0.288536 0.16811 0.5 292 63.546 9.97844e-05 -3.53992 63.546000 Cu 0.211613 0.197044 0.5 293 63.546 2.43664e-05 -3.53994 63.546000 Cu 0.49997 0.18263 1.92337e-17 295 63.546 5.62171e-05 -3.53998 63.546000 Cu 0.403813 0.187435 0.5 297 63.546 3.63822e-05 -3.53998 63.546000 Cu 0.596198 0.177787 0.5 299 63.546 4.46463e-05 -3.53996 63.546000 Cu 0.519269 0.206701 0.5 318 63.546 1.17206e-05 -3.53996 63.546000 Cu 0.615462 0.201868 1 320 63.546 3.51725e-05 -3.53994 63.546000 Cu 0.692389 0.17294 1 259 63.546 0.000113294 -3.53993 63.546000 Cu 0.788536 0.16811 0.5 264 63.546 9.97844e-05 -3.53992 63.546000 Cu 0.711613 0.197044 0.5 281 63.546 2.43664e-05 -3.53994 63.546000 Cu 0.807705 0.192239 1 282 63.546 1.12721e-05 -3.53996 63.546000 Cu 0.99997 0.18263 2.54846e-17 286 63.546 5.62171e-05 -3.53998 63.546000 Cu 0.903813 0.187435 0.5 284 63.546 3.63822e-05 -3.53998 63.546000 Cu 0.0384872 0.23079 0 308 63.546 6.30117e-06 -3.53995 63.546000 Cu 0.134634 0.225969 0.5 310 63.546 2.86042e-06 -3.53995 63.546000 Cu 0.230782 0.221151 3.58227e-17 312 63.546 2.78481e-06 -3.53996 63.546000 Cu 0.326923 0.216345 0.5 314 63.546 1.12498e-05 -3.53997 63.546000 Cu 0.249971 0.245255 0.5 315 63.546 2.57188e-06 -3.53997 63.546000 Cu 0.346137 0.240437 2.95718e-17 313 63.546 1.66649e-06 -3.53997 63.546000 Cu 0.423083 0.21153 1 316 63.546 1.18833e-05 -3.53997 63.546000 Cu 0.442309 0.235617 0.5 319 63.546 3.85e-06 -3.53996 63.546000 Cu 0.538487 0.23079 1 317 63.546 6.30117e-06 -3.53995 63.546000 Cu 0.634634 0.225969 0.5 321 63.546 2.86042e-06 -3.53995 63.546000 Cu 0.730782 0.221151 8.79941e-17 280 63.546 2.78481e-06 -3.53996 63.546000 Cu 0.826923 0.216345 0.5 285 63.546 1.12498e-05 -3.53997 63.546000 Cu 0.749971 0.245255 0.5 302 63.546 2.57188e-06 -3.53997 63.546000 Cu 0.923083 0.21153 1 283 63.546 1.18833e-05 -3.53997 63.546000 Cu 0.846137 0.240437 2.95718e-17 304 63.546 1.66649e-06 -3.53997 63.546000 Cu 0.942309 0.235617 0.5 306 63.546 3.85e-06 -3.53996 63.546000 Cu 0.153831 0.250067 2.23592e-17 309 63.546 2.38782e-06 -3.53996 63.546000 Cu 0.0576544 0.254888 0.5 311 63.546 3.79239e-06 -3.53996 63.546000 Cu 0.0768783 0.278978 1 330 63.546 9.92254e-06 -3.53997 63.546000 Cu 0.173029 0.274166 0.5 332 63.546 5.04884e-06 -3.53997 63.546000 Cu 0.26919 0.26935 1.8825e-16 334 63.546 5.57785e-06 -3.53996 63.546000 Cu 0.384517 0.288636 1.7118e-16 335 63.546 2.35618e-05 -3.53994 63.546000 Cu 0.365328 0.264536 0.5 336 63.546 2.11513e-06 -3.53995 63.546000 Cu 0.461487 0.259713 0 338 63.546 2.74043e-06 -3.53995 63.546000 Cu 0.480699 0.283805 0.5 341 63.546 9.9638e-06 -3.53996 63.546000 Cu 0.653831 0.250067 2.95718e-17 300 63.546 2.38782e-06 -3.53996 63.546000 Cu 0.576878 0.278978 1 339 63.546 9.92254e-06 -3.53997 63.546000 Cu 0.557654 0.254888 0.5 340 63.546 3.79239e-06 -3.53996 63.546000 Cu 0.76919 0.26935 0 301 63.546 5.57785e-06 -3.53996 63.546000 Cu 0.673029 0.274166 0.5 303 63.546 5.04884e-06 -3.53997 63.546000 Cu 0.961487 0.259713 1 305 63.546 2.74043e-06 -3.53995 63.546000 Cu 0.865328 0.264536 0.5 307 63.546 2.11513e-06 -3.53995 63.546000 Cu 0.884517 0.288636 4.80842e-17 326 63.546 2.35618e-05 -3.53994 63.546000 Cu 0.980699 0.283805 0.5 328 63.546 9.9638e-06 -3.53996 63.546000 Cu 0.0961504 0.303072 0.5 333 63.546 3.34751e-05 -3.53998 63.546000 Cu 0.0193366 0.331974 0.5 349 63.546 0.000155002 -3.53999 63.546000 Cu 0.115417 0.327186 3.60632e-18 351 63.546 6.79481e-05 -3.53995 63.546000 Cu 0.192262 0.298267 1 331 63.546 1.4917e-05 -3.53996 63.546000 Cu 0.288361 0.293462 0.5 337 63.546 2.08169e-05 -3.53994 63.546000 Cu 0.211448 0.322397 0.5 353 63.546 8.24746e-05 -3.53992 63.546000 Cu 0.307578 0.317567 1 355 63.546 0.000109285 -3.53993 63.546000 Cu 0.403776 0.312721 0.5 357 63.546 4.15967e-05 -3.53996 63.546000 Cu 0.499998 0.307884 1.11796e-16 359 63.546 3.47537e-05 -3.53998 63.546000 Cu 0.615417 0.327186 1.26461e-16 360 63.546 6.79481e-05 -3.53995 63.546000 Cu 0.59615 0.303072 0.5 361 63.546 3.34751e-05 -3.53998 63.546000 Cu 0.519337 0.331974 0.5 362 63.546 0.000155002 -3.53999 63.546000 Cu 0.692262 0.298267 5.52968e-17 322 63.546 1.4917e-05 -3.53996 63.546000 Cu 0.807578 0.317567 1 323 63.546 0.000109285 -3.53993 63.546000 Cu 0.788361 0.293462 0.5 324 63.546 2.08169e-05 -3.53994 63.546000 Cu 0.711448 0.322397 0.5 325 63.546 8.24746e-05 -3.53992 63.546000 Cu 0.999998 0.307884 1.44974e-16 327 63.546 3.47537e-05 -3.53998 63.546000 Cu 0.903776 0.312721 0.5 329 63.546 4.15967e-05 -3.53996 63.546000 Cu 0.038638 0.356092 1 348 63.546 0.000450593 -3.53991 63.546000 Cu 0.13452 0.351356 0.5 354 63.546 0.000421977 -3.53988 63.546000 Cu 0.230656 0.346498 2.95718e-17 352 63.546 0.000354589 -3.53987 63.546000 Cu 0.326911 0.34164 0.5 358 63.546 0.00014272 -3.53994 63.546000 Cu 0.24993 0.370554 0.5 375 63.546 0.00083368 -3.5398 63.546000 Cu 0.423205 0.336772 1.92337e-17 356 63.546 0.000177802 -3.53997 63.546000 Cu 0.346476 0.365631 9.136e-17 377 63.546 0.00077189 -3.53992 63.546000 Cu 0.442631 0.360859 0.5 379 63.546 0.000665828 -3.53999 63.546000 Cu 0.538638 0.356092 1.32953e-16 381 63.546 0.000450593 -3.53991 63.546000 Cu 0.63452 0.351356 0.5 382 63.546 0.000421977 -3.53988 63.546000 Cu 0.730656 0.346498 1 343 63.546 0.000354589 -3.53987 63.546000 Cu 0.826911 0.34164 0.5 345 63.546 0.00014272 -3.53994 63.546000 Cu 0.74993 0.370554 0.5 346 63.546 0.00083368 -3.5398 63.546000 Cu 0.846476 0.365631 1 344 63.546 0.00077189 -3.53992 63.546000 Cu 0.923205 0.336772 1 347 63.546 0.000177802 -3.53997 63.546000 Cu 0.942631 0.360859 0.5 350 63.546 0.000665828 -3.53999 63.546000 Cu 0.0764852 0.404545 4.49587e-17 370 63.546 0.00704518 -3.53893 63.546000 Cu 0.0575691 0.380355 0.5 371 63.546 0.00119268 -3.53968 63.546000 Cu 0.153648 0.375499 0 373 63.546 0.00179169 -3.53974 63.546000 Cu 0.269755 0.394434 1 374 63.546 0.00435647 -3.53981 63.546000 Cu 0.172966 0.399615 0.5 376 63.546 0.00546032 -3.53969 63.546000 Cu 0.461983 0.384984 1.67814e-16 378 63.546 0.00242041 -3.53973 63.546000 Cu 0.365906 0.389711 0.5 380 63.546 0.00237759 -3.53998 63.546000 Cu 0.385352 0.413801 2.95718e-17 398 63.546 0.0177212 -3.53838 63.546000 Cu 0.480432 0.409409 0.5 400 63.546 0.00640651 -3.53865 63.546000 Cu 0.653648 0.375499 1 342 63.546 0.00179169 -3.53974 63.546000 Cu 0.557569 0.380355 0.5 383 63.546 0.00119268 -3.53968 63.546000 Cu 0.576485 0.404545 1 402 63.546 0.00704518 -3.53893 63.546000 Cu 0.672966 0.399615 0.5 364 63.546 0.00546032 -3.53969 63.546000 Cu 0.769755 0.394434 1 365 63.546 0.00435647 -3.53981 63.546000 Cu 0.885352 0.413801 1 366 63.546 0.0177212 -3.53838 63.546000 Cu 0.865906 0.389711 0.5 367 63.546 0.00237759 -3.53998 63.546000 Cu 0.961983 0.384984 1 369 63.546 0.00242041 -3.53973 63.546000 Cu 0.980432 0.409409 0.5 372 63.546 0.00640651 -3.53865 63.546000 Cu 0.116394 0.451264 0 391 63.546 0.127635 -3.52319 63.546000 Cu 0.0954161 0.428531 0.5 392 63.546 0.0316805 -3.53309 63.546000 Cu 0.0148023 0.457612 0.5 393 63.546 0.564924 -3.46392 63.546000 Cu 0.193824 0.423341 3.31781e-17 394 63.546 0.0171117 -3.53708 63.546000 Cu 0.310542 0.442594 0 395 63.546 0.157718 -3.52419 63.546000 Cu 0.289536 0.418506 0.5 396 63.546 0.0171066 -3.53975 63.546000 Cu 0.215058 0.447624 0.5 397 63.546 0.138978 -3.52569 63.546000 Cu 0.498126 0.433632 1.15162e-16 399 63.546 0.0580543 -3.52958 63.546000 Cu 0.402778 0.438773 0.5 401 63.546 0.0688798 -3.53039 63.546000 Cu 0.616394 0.451264 1.03621e-16 3 63.546 0.127635 -3.52319 63.546000 Cu 0.514802 0.457612 0.5 9 63.546 0.564924 -3.46392 63.546000 Cu 0.595416 0.428531 0.5 403 63.546 0.0316805 -3.53309 63.546000 Cu 0.693824 0.423341 1 363 63.546 0.0171117 -3.53708 63.546000 Cu 0.789536 0.418506 0.5 368 63.546 0.0171066 -3.53975 63.546000 Cu 0.715058 0.447624 0.5 385 63.546 0.138978 -3.52569 63.546000 Cu 0.810542 0.442594 1.35357e-16 386 63.546 0.157718 -3.52419 63.546000 Cu 0.998126 0.433632 1 390 63.546 0.0580543 -3.52958 63.546000 Cu 0.902778 0.438773 0.5 388 63.546 0.0688798 -3.53039 63.546000 Cu 0.0338313 0.479114 1 408 63.546 9.20591 -3.35546 63.546000 Cu 0.133013 0.474017 0.5 410 63.546 3.86056 -3.42508 63.546000 Cu 0.150443 0.495121 2.95718e-17 409 63.546 6.77485 -3.447 63.546000 Cu 0.248356 0.495096 0.5 207 63.546 1.24484 -3.51883 63.546000 Cu 0.332364 0.469111 0.5 208 63.546 0.470728 -3.46927 63.546000 Cu 0.237536 0.470663 1.10594e-17 411 63.546 0.528562 -3.49882 63.546000 Cu 0.446223 0.495048 0.5 7 63.546 7.91223 -3.31083 63.546000 Cu 0.418079 0.464459 0 201 63.546 0.848925 -3.43264 63.546000 Cu 0.347827 0.495066 6.73179e-18 412 63.546 2.15804 -3.48459 63.546000 Cu 0.633013 0.474017 0.5 1 63.546 3.86056 -3.42508 63.546000 Cu 0.533831 0.479114 9.54472e-17 199 63.546 9.20591 -3.35546 63.546000 Cu 0.650443 0.495121 1 404 63.546 6.77485 -3.447 63.546000 Cu 0.737536 0.470663 2.95718e-17 384 63.546 0.528562 -3.49882 63.546000 Cu 0.832364 0.469111 0.5 389 63.546 0.470728 -3.46927 63.546000 Cu 0.748356 0.495096 0.5 405 63.546 1.24484 -3.51883 63.546000 Cu 0.918079 0.464459 2.95718e-17 387 63.546 0.848925 -3.43264 63.546000 Cu 0.847827 0.495066 4.27949e-17 406 63.546 2.15804 -3.48459 63.546000 Cu 0.946223 0.495048 0.5 407 63.546 7.91223 -3.31083 63.546000 Cu 0.0340377 0.511141 2.95718e-17 2 63.546 9.24359 -3.35401 63.546000 Cu 0.133076 0.516198 0.5 5 63.546 3.85036 -3.42475 63.546000 Cu 0.0147297 0.532621 0.5 20 63.546 0.580212 -3.46302 63.546000 Cu 0.116457 0.53897 1.85124e-16 22 63.546 0.131977 -3.52291 63.546000 Cu 0.237572 0.51953 3.48611e-17 4 63.546 0.533307 -3.4981 63.546000 Cu 0.332428 0.521036 0.5 6 63.546 0.481377 -3.4676 63.546000 Cu 0.418011 0.525663 2.71676e-17 8 63.546 0.872135 -3.43087 63.546000 Cu 0.534038 0.511141 1.17806e-17 10 63.546 9.24359 -3.35401 63.546000 Cu 0.616457 0.53897 1 11 63.546 0.131977 -3.52291 63.546000 Cu 0.633076 0.516198 0.5 12 63.546 3.85036 -3.42475 63.546000 Cu 0.51473 0.532621 0.5 13 63.546 0.580212 -3.46302 63.546000 Cu 0.737572 0.51953 1 14 63.546 0.533307 -3.4981 63.546000 Cu 0.832428 0.521036 0.5 16 63.546 0.481377 -3.4676 63.546000 Cu 0.918011 0.525663 1 18 63.546 0.872135 -3.43087 63.546000 Cu 0.0952748 0.561681 0.5 25 63.546 0.0324192 -3.53301 63.546000 Cu 0.193686 0.566903 3.60632e-17 23 63.546 0.0183724 -3.53681 63.546000 Cu 0.215026 0.542591 0.5 24 63.546 0.140962 -3.52519 63.546000 Cu 0.310558 0.547597 2.95718e-17 26 63.546 0.160995 -3.52355 63.546000 Cu 0.28932 0.571719 0.5 27 63.546 0.0180192 -3.5397 63.546000 Cu 0.385129 0.576407 4.27949e-17 28 63.546 0.017392 -3.53824 63.546000 Cu 0.40259 0.551401 0.5 29 63.546 0.0737157 -3.52976 63.546000 Cu 0.497957 0.556576 1 30 63.546 0.0612401 -3.52924 63.546000 Cu 0.480155 0.580813 0.5 33 63.546 0.00636029 -3.53856 63.546000 Cu 0.595275 0.561681 0.5 32 63.546 0.0324192 -3.53301 63.546000 Cu 0.810558 0.547597 2.95718e-17 15 63.546 0.160995 -3.52355 63.546000 Cu 0.715026 0.542591 0.5 17 63.546 0.140962 -3.52519 63.546000 Cu 0.693686 0.566903 1.53869e-17 34 63.546 0.0183724 -3.53681 63.546000 Cu 0.78932 0.571719 0.5 36 63.546 0.0180192 -3.5397 63.546000 Cu 0.997957 0.556576 2.95718e-17 19 63.546 0.0612401 -3.52924 63.546000 Cu 0.90259 0.551401 0.5 21 63.546 0.0737157 -3.52976 63.546000 Cu 0.885129 0.576407 1.5411e-16 38 63.546 0.017392 -3.53824 63.546000 Cu 0.980155 0.580813 0.5 40 63.546 0.00636029 -3.53856 63.546000 Cu 0.076214 0.585667 1 42 63.546 0.0079247 -3.5389 63.546000 Cu 0.153387 0.614745 5.04884e-18 43 63.546 0.00204064 -3.53968 63.546000 Cu 0.0572879 0.609879 0.5 45 63.546 0.00144304 -3.53963 63.546000 Cu 0.1727 0.590641 0.5 44 63.546 0.00507641 -3.53967 63.546000 Cu 0.269537 0.59582 2.95718e-17 46 63.546 0.00486243 -3.53981 63.546000 Cu 0.249689 0.619717 0.5 47 63.546 0.000812231 -3.53979 63.546000 Cu 0.346244 0.624653 1 48 63.546 0.00104275 -3.53993 63.546000 Cu 0.365645 0.600536 0.5 49 63.546 0.0023964 -3.53999 63.546000 Cu 0.46172 0.605249 2.95718e-17 50 63.546 0.00213753 -3.53972 63.546000 Cu 0.576214 0.585667 3.38994e-17 31 63.546 0.0079247 -3.5389 63.546000 Cu 0.557288 0.609879 0.5 52 63.546 0.00144304 -3.53963 63.546000 Cu 0.653387 0.614745 1 54 63.546 0.00204064 -3.53968 63.546000 Cu 0.769537 0.59582 9.20813e-17 35 63.546 0.00486243 -3.53981 63.546000 Cu 0.6727 0.590641 0.5 37 63.546 0.00507641 -3.53967 63.546000 Cu 0.749689 0.619717 0.5 56 63.546 0.000812231 -3.53979 63.546000 Cu 0.96172 0.605249 2.95718e-17 39 63.546 0.00213753 -3.53972 63.546000 Cu 0.865645 0.600536 0.5 41 63.546 0.0023964 -3.53999 63.546000 Cu 0.846244 0.624653 1 58 63.546 0.00104275 -3.53993 63.546000 Cu 0.0384001 0.634167 6.73179e-17 62 63.546 0.000331414 -3.5399 63.546000 Cu 0.115253 0.663119 7.64539e-17 63 63.546 4.87055e-05 -3.53993 63.546000 Cu 0.134267 0.638912 0.5 64 63.546 0.000581021 -3.53982 63.546000 Cu 0.0191767 0.658329 0.5 65 63.546 0.000142325 -3.53998 63.546000 Cu 0.23044 0.643786 1 66 63.546 0.00043691 -3.53983 63.546000 Cu 0.326756 0.648666 0.5 68 63.546 0.000123099 -3.53993 63.546000 Cu 0.442378 0.629415 0.5 53 63.546 0.000651232 -3.53999 63.546000 Cu 0.423086 0.653537 3.51015e-17 70 63.546 0.000280087 -3.53998 63.546000 Cu 0.5384 0.634167 7.02029e-17 51 63.546 0.000331414 -3.5399 63.546000 Cu 0.634267 0.638912 0.5 57 63.546 0.000581021 -3.53982 63.546000 Cu 0.519177 0.658329 0.5 72 63.546 0.000142325 -3.53998 63.546000 Cu 0.615253 0.663119 6.94817e-17 74 63.546 4.87055e-05 -3.53993 63.546000 Cu 0.73044 0.643786 1.8272e-17 55 63.546 0.00043691 -3.53983 63.546000 Cu 0.826756 0.648666 0.5 61 63.546 0.000123099 -3.53993 63.546000 Cu 0.923086 0.653537 1 59 63.546 0.000280087 -3.53998 63.546000 Cu 0.942378 0.629415 0.5 60 63.546 0.000651232 -3.53999 63.546000 Cu 0.0961069 0.687279 0.5 84 63.546 3.71792e-05 -3.53994 63.546000 Cu 0.307482 0.672763 4.23141e-17 67 63.546 0.000133965 -3.53989 63.546000 Cu 0.211307 0.667915 0.5 69 63.546 0.000158005 -3.53987 63.546000 Cu 0.192203 0.692091 1 86 63.546 6.58874e-06 -3.53991 63.546000 Cu 0.288314 0.69691 0.5 88 63.546 3.35961e-05 -3.53989 63.546000 Cu 0.49996 0.682473 1 71 63.546 8.38027e-05 -3.53996 63.546000 Cu 0.403717 0.677626 0.5 73 63.546 2.99983e-05 -3.53994 63.546000 Cu 0.384487 0.701747 7.3088e-17 90 63.546 3.81705e-05 -3.53991 63.546000 Cu 0.480699 0.706593 0.5 92 63.546 9.15955e-06 -3.53993 63.546000 Cu 0.596107 0.687279 0.5 77 63.546 3.71792e-05 -3.53994 63.546000 Cu 0.692203 0.692091 1.07468e-16 75 63.546 6.58874e-06 -3.53991 63.546000 Cu 0.711307 0.667915 0.5 76 63.546 0.000158005 -3.53987 63.546000 Cu 0.807482 0.672763 1 78 63.546 0.000133965 -3.53989 63.546000 Cu 0.788314 0.69691 0.5 81 63.546 3.35961e-05 -3.53989 63.546000 Cu 0.884487 0.701747 2.95718e-17 79 63.546 3.81705e-05 -3.53991 63.546000 Cu 0.903717 0.677626 0.5 80 63.546 2.99983e-05 -3.53994 63.546000 Cu 0.99996 0.682473 2.95718e-17 82 63.546 8.38027e-05 -3.53996 63.546000 Cu 0.980699 0.706593 0.5 85 63.546 9.15955e-06 -3.53993 63.546000 Cu 0.0768936 0.711431 2.95718e-17 83 63.546 1.98982e-05 -3.53994 63.546000 Cu 0.0576915 0.735566 0.5 104 63.546 4.41547e-06 -3.53992 63.546000 Cu 0.153874 0.740398 1.77912e-16 106 63.546 2.82598e-06 -3.53993 63.546000 Cu 0.269196 0.721067 2.25996e-17 87 63.546 3.91852e-06 -3.53992 63.546000 Cu 0.173055 0.716251 0.5 89 63.546 1.07038e-05 -3.53993 63.546000 Cu 0.250035 0.745224 0.5 108 63.546 1.35856e-06 -3.53993 63.546000 Cu 0.461504 0.73073 4.80842e-19 91 63.546 6.78288e-06 -3.53991 63.546000 Cu 0.365346 0.725896 0.5 93 63.546 4.74133e-06 -3.53991 63.546000 Cu 0.576894 0.711431 1 94 63.546 1.98982e-05 -3.53994 63.546000 Cu 0.653874 0.740398 0 95 63.546 2.82598e-06 -3.53993 63.546000 Cu 0.557692 0.735566 0.5 97 63.546 4.41547e-06 -3.53992 63.546000 Cu 0.673055 0.716251 0.5 96 63.546 1.07038e-05 -3.53993 63.546000 Cu 0.769196 0.721067 1.68054e-16 98 63.546 3.91852e-06 -3.53992 63.546000 Cu 0.750035 0.745224 0.5 101 63.546 1.35856e-06 -3.53993 63.546000 Cu 0.865346 0.725896 0.5 100 63.546 4.74133e-06 -3.53991 63.546000 Cu 0.961504 0.73073 2.35613e-17 102 63.546 6.78288e-06 -3.53991 63.546000 Cu 0.0385382 0.759713 9.136e-18 103 63.546 2.63788e-06 -3.53991 63.546000 Cu 0.134704 0.764547 0.5 109 63.546 2.84332e-06 -3.53991 63.546000 Cu 0.0193517 0.783854 0.5 124 63.546 8.60806e-06 -3.53993 63.546000 Cu 0.115546 0.788696 8.31857e-17 126 63.546 2.3743e-05 -3.5399 63.546000 Cu 0.230854 0.769374 1.02419e-16 107 63.546 3.25263e-06 -3.53992 63.546000 Cu 0.327008 0.774198 0.5 110 63.546 3.66084e-06 -3.53994 63.546000 Cu 0.346182 0.750046 1 111 63.546 3.08546e-06 -3.53993 63.546000 Cu 0.423162 0.779018 5.57777e-17 112 63.546 1.30074e-05 -3.53994 63.546000 Cu 0.442361 0.754878 0.5 113 63.546 3.89464e-06 -3.53992 63.546000 Cu 0.538538 0.759713 0 114 63.546 2.63788e-06 -3.53991 63.546000 Cu 0.615546 0.788696 1.13719e-16 115 63.546 2.3743e-05 -3.5399 63.546000 Cu 0.634704 0.764547 0.5 116 63.546 2.84332e-06 -3.53991 63.546000 Cu 0.519352 0.783854 0.5 117 63.546 8.60806e-06 -3.53993 63.546000 Cu 0.730854 0.769374 1.80316e-17 118 63.546 3.25263e-06 -3.53992 63.546000 Cu 0.827008 0.774198 0.5 120 63.546 3.66084e-06 -3.53994 63.546000 Cu 0.846182 0.750046 1 99 63.546 3.08546e-06 -3.53993 63.546000 Cu 0.942361 0.754878 0.5 105 63.546 3.89464e-06 -3.53992 63.546000 Cu 0.923162 0.779018 2.40421e-19 122 63.546 1.30074e-05 -3.53994 63.546000 Cu 0.0963239 0.812823 0.5 129 63.546 3.00825e-05 -3.53994 63.546000 Cu 8.59734e-05 0.80798 0 123 63.546 6.07759e-05 -3.53996 63.546000 Cu 0.192558 0.817681 0 127 63.546 0.000107652 -3.53989 63.546000 Cu 0.211722 0.793534 0.5 128 63.546 2.52618e-05 -3.53989 63.546000 Cu 0.307839 0.798353 2.33208e-17 130 63.546 9.24644e-06 -3.53991 63.546000 Cu 0.288721 0.822531 0.5 131 63.546 0.000126486 -3.53987 63.546000 Cu 0.384774 0.827333 1 132 63.546 4.34767e-05 -3.53992 63.546000 Cu 0.403949 0.803167 0.5 133 63.546 2.92861e-05 -3.53994 63.546000 Cu 0.480856 0.832127 0.5 137 63.546 0.000121039 -3.53997 63.546000 Cu 0.500086 0.80798 2.02675e-16 134 63.546 6.07759e-05 -3.53996 63.546000 Cu 0.596324 0.812823 0.5 136 63.546 3.00825e-05 -3.53994 63.546000 Cu 0.807839 0.798353 1 119 63.546 9.24644e-06 -3.53991 63.546000 Cu 0.711722 0.793534 0.5 121 63.546 2.52618e-05 -3.53989 63.546000 Cu 0.692558 0.817681 2.95718e-17 138 63.546 0.000107652 -3.53989 63.546000 Cu 0.788721 0.822531 0.5 140 63.546 0.000126486 -3.53987 63.546000 Cu 0.903949 0.803167 0.5 125 63.546 2.92861e-05 -3.53994 63.546000 Cu 0.884774 0.827333 5.74606e-17 142 63.546 4.34767e-05 -3.53992 63.546000 Cu 0.980856 0.832127 0.5 144 63.546 0.000121039 -3.53997 63.546000 Cu 0.0769599 0.836919 1 146 63.546 0.000249312 -3.53997 63.546000 Cu 0.153762 0.865811 1 147 63.546 0.000921402 -3.53994 63.546000 Cu 0.057639 0.861051 0.5 149 63.546 0.000576945 -3.53999 63.546000 Cu 0.17328 0.841789 0.5 148 63.546 0.000140888 -3.53993 63.546000 Cu 0.269578 0.846667 1.45214e-16 150 63.546 0.000415996 -3.53983 63.546000 Cu 0.250326 0.870735 0.5 151 63.546 0.000826187 -3.53979 63.546000 Cu 0.36575 0.851536 0.5 153 63.546 0.000506786 -3.53982 63.546000 Cu 0.46162 0.85629 2.95718e-17 154 63.546 0.000314745 -3.5399 63.546000 Cu 0.57696 0.836919 2.06522e-16 135 63.546 0.000249312 -3.53997 63.546000 Cu 0.557639 0.861051 0.5 156 63.546 0.000576945 -3.53999 63.546000 Cu 0.653762 0.865811 5.45756e-17 158 63.546 0.000921402 -3.53994 63.546000 Cu 0.769578 0.846667 2.95718e-17 139 63.546 0.000415996 -3.53983 63.546000 Cu 0.67328 0.841789 0.5 141 63.546 0.000140888 -3.53993 63.546000 Cu 0.750326 0.870735 0.5 160 63.546 0.000826187 -3.53979 63.546000 Cu 0.96162 0.85629 2.95718e-17 143 63.546 0.000314745 -3.5399 63.546000 Cu 0.86575 0.851536 0.5 145 63.546 0.000506786 -3.53982 63.546000 Cu 0.0382854 0.885204 1 166 63.546 0.00226682 -3.53972 63.546000 Cu 0.114871 0.914049 1 167 63.546 0.0176401 -3.53823 63.546000 Cu 0.134351 0.889921 0.5 168 63.546 0.00237464 -3.53998 63.546000 Cu 0.019828 0.909647 0.5 169 63.546 0.00644443 -3.53854 63.546000 Cu 0.230454 0.89464 2.95718e-17 170 63.546 0.0046726 -3.53981 63.546000 Cu 0.327293 0.899816 0.5 172 63.546 0.00508824 -3.53966 63.546000 Cu 0.34662 0.875704 7.02029e-17 152 63.546 0.00192013 -3.53968 63.546000 Cu 0.442713 0.880574 0.5 157 63.546 0.0013862 -3.53963 63.546000 Cu 0.423784 0.904789 9.54472e-17 174 63.546 0.0078982 -3.53888 63.546000 Cu 0.538285 0.885204 0 155 63.546 0.00226682 -3.53972 63.546000 Cu 0.634351 0.889921 0.5 161 63.546 0.00237464 -3.53998 63.546000 Cu 0.519828 0.909647 0.5 176 63.546 0.00644443 -3.53854 63.546000 Cu 0.614871 0.914049 5.24118e-17 178 63.546 0.0176401 -3.53823 63.546000 Cu 0.730454 0.89464 0 159 63.546 0.0046726 -3.53981 63.546000 Cu 0.827293 0.899816 0.5 165 63.546 0.00508824 -3.53966 63.546000 Cu 0.84662 0.875704 2.95718e-17 162 63.546 0.00192013 -3.53968 63.546000 Cu 0.923784 0.904789 8.87154e-17 163 63.546 0.0078982 -3.53888 63.546000 Cu 0.942713 0.880574 0.5 164 63.546 0.0013862 -3.53963 63.546000 Cu 0.0974057 0.939063 0.5 188 63.546 0.0738777 -3.52967 63.546000 Cu 0.00205568 0.933888 1.73103e-16 186 63.546 0.0608896 -3.52925 63.546000 Cu 0.306315 0.923556 2.95718e-17 171 63.546 0.0182581 -3.53689 63.546000 Cu 0.210684 0.918741 0.5 173 63.546 0.0180635 -3.5397 63.546000 Cu 0.189449 0.942864 3.6544e-17 190 63.546 0.162218 -3.52348 63.546000 Cu 0.284954 0.947874 0.5 192 63.546 0.141325 -3.52513 63.546000 Cu 0.404723 0.928782 0.5 177 63.546 0.0321268 -3.53309 63.546000 Cu 0.383561 0.951512 8.91962e-17 194 63.546 0.129373 -3.52307 63.546000 Cu 0.485255 0.957848 0.5 196 63.546 0.57833 -3.4632 63.546000 Cu 0.502056 0.933888 6.77987e-17 175 63.546 0.0608896 -3.52925 63.546000 Cu 0.597406 0.939063 0.5 181 63.546 0.0738777 -3.52967 63.546000 Cu 0.689449 0.942864 2.95718e-17 179 63.546 0.162218 -3.52348 63.546000 Cu 0.710684 0.918741 0.5 180 63.546 0.0180635 -3.5397 63.546000 Cu 0.806315 0.923556 2.95718e-17 182 63.546 0.0182581 -3.53689 63.546000 Cu 0.784954 0.947874 0.5 185 63.546 0.141325 -3.52513 63.546000 Cu 0.883561 0.951512 2.95718e-17 183 63.546 0.129373 -3.52307 63.546000 Cu 0.904723 0.928782 0.5 184 63.546 0.0321268 -3.53309 63.546000 Cu 0.985255 0.957848 0.5 189 63.546 0.57833 -3.4632 63.546000 Cu 0.152171 0.995419 0 216 63.546 2.15477 -3.48448 63.546000 Cu 0.0537576 0.995408 0.5 217 63.546 7.91906 -3.31045 63.546000 Cu 0.0819564 0.964804 8.2224e-17 187 63.546 0.867257 -3.43091 63.546000 Cu 0.262423 0.970949 2.95718e-17 191 63.546 0.532532 -3.49869 63.546000 Cu 0.167555 0.969455 0.5 193 63.546 0.483611 -3.46762 63.546000 Cu 0.251631 0.995384 0.5 209 63.546 1.24355 -3.51888 63.546000 Cu 0.465985 0.97933 2.95718e-17 195 63.546 9.24534 -3.35485 63.546000 Cu 0.366916 0.974279 0.5 197 63.546 3.8516 -3.42544 63.546000 Cu 0.349525 0.995397 2.95718e-17 210 63.546 6.77861 -3.44725 63.546000 Cu 0.652171 0.995419 6.92413e-17 211 63.546 2.15477 -3.48448 63.546000 Cu 0.553758 0.995408 0.5 236 63.546 7.91906 -3.31045 63.546000 Cu 0.581956 0.964804 1.57476e-16 198 63.546 0.867257 -3.43091 63.546000 Cu 0.667555 0.969455 0.5 200 63.546 0.483611 -3.46762 63.546000 Cu 0.762423 0.970949 1 202 63.546 0.532532 -3.49869 63.546000 Cu 0.751631 0.995384 0.5 205 63.546 1.24355 -3.51888 63.546000 Cu 0.849525 0.995397 5.31331e-17 203 63.546 6.77861 -3.44725 63.546000 Cu 0.866916 0.974279 0.5 204 63.546 3.8516 -3.42544 63.546000 Cu 0.965985 0.97933 5.81819e-17 206 63.546 9.24534 -3.35485