Number of particles = 400 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.1969 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 73.2785 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.63183 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 0.124571 0.0429566 2.13984e-16 208 63.546 0.450278 -3.25693 63.546000 Cu 0.0652689 0.0229778 0.5 209 63.546 0.396443 -3.25123 63.546000 Cu 0.147163 0.00494765 7.6423e-18 211 63.546 4.49325 -3.26088 63.546000 Cu 0.201831 0.0292535 0.5 213 63.546 5.47286 -3.10832 63.546000 Cu 0.000103557 0.00494813 1 202 63.546 0.490481 -3.27464 63.546000 Cu 0.281559 0.0204859 1 212 63.546 7.35969 -2.99205 63.546000 Cu 0.356818 0.00495614 0.5 214 63.546 3.63998 -3.20847 63.546000 Cu 0.259832 0.0528022 1 225 63.546 0.40113 -3.25366 63.546000 Cu 0.342344 0.0387869 0.5 227 63.546 0.413635 -3.27247 63.546000 Cu 0.423667 0.0223547 1.095e-16 229 63.546 0.210015 -3.27688 63.546000 Cu 0.484436 0.0404219 0.5 232 63.546 0.033568 -3.27315 63.546000 Cu 0.500104 0.00494813 0.5 231 63.546 0.490481 -3.27464 63.546000 Cu 0.565269 0.0229778 6.96166e-17 230 63.546 0.396443 -3.25123 63.546000 Cu 0.647163 0.00494765 0.5 233 63.546 4.49325 -3.26088 63.546000 Cu 0.624571 0.0429566 0.5 253 63.546 0.450278 -3.25693 63.546000 Cu 0.701831 0.0292535 1.19411e-19 255 63.546 5.47286 -3.10832 63.546000 Cu 0.856818 0.00495614 1.02693e-17 201 63.546 3.63998 -3.20847 63.546000 Cu 0.923667 0.0223547 0.5 203 63.546 0.210015 -3.27688 63.546000 Cu 0.984436 0.0404219 1.29919e-16 207 63.546 0.033568 -3.27315 63.546000 Cu 0.842344 0.0387869 1 256 63.546 0.413635 -3.27247 63.546000 Cu 0.781559 0.0204859 0.5 257 63.546 7.35969 -2.99205 63.546000 Cu 0.759832 0.0528022 0.5 258 63.546 0.40113 -3.25366 63.546000 Cu 0.0438347 0.0592017 0.5 210 63.546 0.10824 -3.27223 63.546000 Cu 0.0229336 0.0949225 0.5 219 63.546 0.0418579 -3.28123 63.546000 Cu 0.102834 0.0793696 2.90288e-16 221 63.546 0.115908 -3.27978 63.546000 Cu 0.24091 0.0867933 1.4795e-16 222 63.546 0.0683812 -3.27574 63.546000 Cu 0.18135 0.0652967 0.5 223 63.546 0.0532466 -3.26306 63.546000 Cu 0.161495 0.100577 0.5 224 63.546 0.011626 -3.2789 63.546000 Cu 0.402371 0.0569717 0 226 63.546 0.0334378 -3.27671 63.546000 Cu 0.32146 0.0726307 0.5 228 63.546 0.132131 -3.27773 63.546000 Cu 0.301375 0.106766 0.5 245 63.546 0.0365235 -3.27946 63.546000 Cu 0.382085 0.0916234 0 247 63.546 0.0197565 -3.27817 63.546000 Cu 0.462896 0.0756802 0.5 249 63.546 0.00982778 -3.27961 63.546000 Cu 0.442291 0.110705 0.5 250 63.546 0.00440658 -3.28147 63.546000 Cu 0.522934 0.0949225 0 248 63.546 0.0418579 -3.28123 63.546000 Cu 0.543835 0.0592017 1.20844e-16 251 63.546 0.10824 -3.27223 63.546000 Cu 0.68135 0.0652967 3.88086e-17 252 63.546 0.0532466 -3.26306 63.546000 Cu 0.602834 0.0793696 0.5 254 63.546 0.115908 -3.27978 63.546000 Cu 0.661495 0.100577 1.22277e-16 279 63.546 0.011626 -3.2789 63.546000 Cu 0.74091 0.0867933 0.5 281 63.546 0.0683812 -3.27574 63.546000 Cu 0.902371 0.0569717 0.5 205 63.546 0.0334378 -3.27671 63.546000 Cu 0.962896 0.0756802 1 204 63.546 0.00982778 -3.27961 63.546000 Cu 0.882085 0.0916234 0.5 206 63.546 0.0197565 -3.27817 63.546000 Cu 0.942291 0.110705 0 217 63.546 0.00440658 -3.28147 63.546000 Cu 0.801375 0.106766 9.82752e-17 280 63.546 0.0365235 -3.27946 63.546000 Cu 0.82146 0.0726307 0 283 63.546 0.132131 -3.27773 63.546000 Cu 0.0820934 0.115026 2.45867e-16 218 63.546 0.028038 -3.28352 63.546000 Cu 0.0613577 0.150243 2.1697e-16 239 63.546 0.00641767 -3.28395 63.546000 Cu 0.2008 0.1558 1.2574e-16 240 63.546 0.00313445 -3.28192 63.546000 Cu 0.141244 0.135541 0.5 241 63.546 0.00300399 -3.28223 63.546000 Cu 0.221126 0.121209 7.61842e-17 243 63.546 0.0138906 -3.28019 63.546000 Cu 0.00205597 0.130227 0.5 220 63.546 0.0128902 -3.28369 63.546000 Cu 0.361629 0.126195 8.87224e-17 244 63.546 0.00791072 -3.28086 63.546000 Cu 0.281077 0.141163 0.5 246 63.546 0.0101436 -3.28108 63.546000 Cu 0.340998 0.160805 3.37097e-16 271 63.546 0.00238586 -3.28194 63.546000 Cu 0.481164 0.165288 1.02216e-16 272 63.546 0.0033329 -3.28368 63.546000 Cu 0.421589 0.1456 0.5 273 63.546 0.00171563 -3.28254 63.546000 Cu 0.502056 0.130227 3.39127e-16 275 63.546 0.0128902 -3.28369 63.546000 Cu 0.641244 0.135541 1.53324e-16 276 63.546 0.00300399 -3.28223 63.546000 Cu 0.582093 0.115026 0.5 277 63.546 0.028038 -3.28352 63.546000 Cu 0.561358 0.150243 0.5 278 63.546 0.00641767 -3.28395 63.546000 Cu 0.721126 0.121209 0.5 282 63.546 0.0138906 -3.28019 63.546000 Cu 0.7008 0.1558 0.5 305 63.546 0.00313445 -3.28192 63.546000 Cu 0.921589 0.1456 1.11172e-16 215 63.546 0.00171563 -3.28254 63.546000 Cu 0.861629 0.126195 0.5 216 63.546 0.00791072 -3.28086 63.546000 Cu 0.981164 0.165288 0.5 237 63.546 0.0033329 -3.28368 63.546000 Cu 0.781077 0.141163 1.55712e-16 307 63.546 0.0101436 -3.28108 63.546000 Cu 0.840998 0.160805 0.5 308 63.546 0.00238586 -3.28194 63.546000 Cu 0.0405759 0.185226 1.4389e-16 236 63.546 0.00160298 -3.28365 63.546000 Cu 0.120662 0.17042 0.5 242 63.546 0.000786629 -3.28297 63.546000 Cu 0.0199611 0.220118 8.29906e-17 263 63.546 0.000307134 -3.28356 63.546000 Cu 0.100061 0.205253 0.5 265 63.546 0.000218989 -3.28327 63.546000 Cu 0.18023 0.190478 2.4336e-16 267 63.546 0.000787163 -3.28258 63.546000 Cu 0.239957 0.210373 0.5 270 63.546 0.000674085 -3.28252 63.546000 Cu 0.320298 0.195461 3.80324e-16 268 63.546 0.000508282 -3.28242 63.546000 Cu 0.26053 0.175724 0.5 269 63.546 0.00270843 -3.28199 63.546000 Cu 0.400761 0.180426 0.5 274 63.546 0.000548265 -3.28289 63.546000 Cu 0.380082 0.215209 0.5 297 63.546 0.000195673 -3.28307 63.546000 Cu 0.460313 0.200208 1.6825e-16 299 63.546 0.000771453 -3.28349 63.546000 Cu 0.600061 0.205253 0 300 63.546 0.000218989 -3.28327 63.546000 Cu 0.540576 0.185226 0.5 301 63.546 0.00160298 -3.28365 63.546000 Cu 0.519961 0.220118 0.5 302 63.546 0.000307134 -3.28356 63.546000 Cu 0.620662 0.17042 2.66286e-16 303 63.546 0.000786629 -3.28297 63.546000 Cu 0.68023 0.190478 0.5 306 63.546 0.000787163 -3.28258 63.546000 Cu 0.739957 0.210373 1.78519e-16 331 63.546 0.000674085 -3.28252 63.546000 Cu 0.880082 0.215209 3.69219e-16 234 63.546 0.000195673 -3.28307 63.546000 Cu 0.900761 0.180426 2.16492e-16 235 63.546 0.000548265 -3.28289 63.546000 Cu 0.960313 0.200208 0.5 238 63.546 0.000771453 -3.28349 63.546000 Cu 0.76053 0.175724 3.6898e-17 304 63.546 0.00270843 -3.28199 63.546000 Cu 0.820298 0.195461 0.5 332 63.546 0.000508282 -3.28242 63.546000 Cu 0.159774 0.225217 1.86042e-16 264 63.546 0.000331377 -3.28291 63.546000 Cu 0.0796855 0.240081 0.5 266 63.546 8.74633e-05 -3.28333 63.546000 Cu 0.059227 0.274892 0.5 289 63.546 0.000242607 -3.28333 63.546000 Cu 0.139421 0.25997 1.89386e-16 291 63.546 0.000158088 -3.28297 63.546000 Cu 0.219662 0.245062 0.5 293 63.546 4.75336e-05 -3.28266 63.546000 Cu 0.279487 0.264872 1.53443e-16 292 63.546 7.9553e-05 -3.28267 63.546000 Cu 0.299842 0.230166 2.53032e-16 295 63.546 7.46229e-05 -3.28269 63.546000 Cu 0.439845 0.235054 1.86998e-16 296 63.546 0.000181361 -3.28341 63.546000 Cu 0.359671 0.249982 0.5 298 63.546 0.000101816 -3.28298 63.546000 Cu 0.419449 0.269867 4.78838e-17 323 63.546 0.000101094 -3.2833 63.546000 Cu 0.49956 0.254971 0.5 325 63.546 4.82048e-06 -3.28344 63.546000 Cu 0.559227 0.274892 1.18814e-16 324 63.546 0.000242607 -3.28333 63.546000 Cu 0.579686 0.240081 4.38238e-17 327 63.546 8.74633e-05 -3.28333 63.546000 Cu 0.719662 0.245062 3.09274e-17 328 63.546 4.75336e-05 -3.28266 63.546000 Cu 0.659774 0.225217 0.5 329 63.546 0.000331377 -3.28291 63.546000 Cu 0.639421 0.25997 0.5 330 63.546 0.000158088 -3.28297 63.546000 Cu 0.859671 0.249982 1.62399e-17 259 63.546 0.000101816 -3.28298 63.546000 Cu 0.99956 0.254971 1.55951e-16 260 63.546 4.82048e-06 -3.28344 63.546000 Cu 0.939845 0.235054 0.5 261 63.546 0.000181361 -3.28341 63.546000 Cu 0.919449 0.269867 0.5 262 63.546 0.000101094 -3.2833 63.546000 Cu 0.799842 0.230166 0.5 333 63.546 7.46229e-05 -3.28269 63.546000 Cu 0.779487 0.264872 0.5 357 63.546 7.9553e-05 -3.28267 63.546000 Cu 0.118983 0.294718 9.7917e-17 288 63.546 0.000184286 -3.28298 63.546000 Cu 0.0387047 0.309736 0.5 290 63.546 0.000972167 -3.2835 63.546000 Cu 0.199236 0.279772 0.5 294 63.546 6.30829e-05 -3.28264 63.546000 Cu 0.0984208 0.329493 1.55115e-16 315 63.546 0.000517504 -3.28291 63.546000 Cu 0.178783 0.314453 0.5 317 63.546 0.000683867 -3.28241 63.546000 Cu 0.259097 0.299562 3.8928e-17 319 63.546 0.000599431 -3.28244 63.546000 Cu 0.399002 0.304684 1 320 63.546 0.000220053 -3.28323 63.546000 Cu 0.339262 0.284729 0.5 321 63.546 0.000233141 -3.28288 63.546000 Cu 0.318877 0.319451 0.5 322 63.546 0.000810748 -3.28257 63.546000 Cu 0.479082 0.289822 0.5 326 63.546 0.000296234 -3.28355 63.546000 Cu 0.458555 0.324714 0.5 349 63.546 0.00175557 -3.28368 63.546000 Cu 0.538705 0.309736 1.08186e-16 351 63.546 0.000972167 -3.2835 63.546000 Cu 0.678783 0.314453 1.71952e-16 352 63.546 0.000683867 -3.28241 63.546000 Cu 0.618983 0.294718 0.5 353 63.546 0.000184286 -3.28298 63.546000 Cu 0.598421 0.329493 0.5 354 63.546 0.000517504 -3.28291 63.546000 Cu 0.699236 0.279772 1.48786e-16 355 63.546 6.30829e-05 -3.28264 63.546000 Cu 0.759097 0.299562 0.5 358 63.546 0.000599431 -3.28244 63.546000 Cu 0.958555 0.324714 1 284 63.546 0.00175557 -3.28368 63.546000 Cu 0.899002 0.304684 0.5 285 63.546 0.000220053 -3.28323 63.546000 Cu 0.979082 0.289822 0 287 63.546 0.000296234 -3.28355 63.546000 Cu 0.839262 0.284729 1.04365e-16 356 63.546 0.000233141 -3.28288 63.546000 Cu 0.818877 0.319451 4.57344e-17 381 63.546 0.000810748 -3.28257 63.546000 Cu 0.0781415 0.364312 1 312 63.546 0.00137761 -3.28279 63.546000 Cu 0.0181529 0.344646 0.5 313 63.546 0.00365839 -3.28383 63.546000 Cu 0.238685 0.334201 8.52594e-17 316 63.546 0.00281041 -3.28202 63.546000 Cu 0.158413 0.349111 0.5 318 63.546 0.00269073 -3.28206 63.546000 Cu 0.138283 0.383726 0.5 341 63.546 0.0079981 -3.28086 63.546000 Cu 0.218661 0.36876 9.07523e-18 343 63.546 0.0103897 -3.28109 63.546000 Cu 0.358547 0.374399 0 344 63.546 0.00307092 -3.2822 63.546000 Cu 0.298675 0.354137 0.5 345 63.546 0.00295399 -3.28186 63.546000 Cu 0.37855 0.339521 3.30768e-17 347 63.546 0.000837796 -3.28305 63.546000 Cu 0.438219 0.359702 0.5 350 63.546 0.00696639 -3.28408 63.546000 Cu 0.497813 0.379702 1.19411e-17 373 63.546 0.0129172 -3.28375 63.546000 Cu 0.27874 0.38873 0.5 346 63.546 0.013118 -3.28011 63.546000 Cu 0.518153 0.344646 2.67481e-17 348 63.546 0.00365839 -3.28383 63.546000 Cu 0.638283 0.383726 0 374 63.546 0.0079981 -3.28086 63.546000 Cu 0.578141 0.364312 0.5 375 63.546 0.00137761 -3.28279 63.546000 Cu 0.658413 0.349111 7.85724e-17 377 63.546 0.00269073 -3.28206 63.546000 Cu 0.738685 0.334201 0.5 379 63.546 0.00281041 -3.28202 63.546000 Cu 0.718661 0.36876 0.5 380 63.546 0.0103897 -3.28109 63.546000 Cu 0.87855 0.339521 0.5 286 63.546 0.000837796 -3.28305 63.546000 Cu 0.858547 0.374399 0.5 310 63.546 0.00307092 -3.2822 63.546000 Cu 0.938219 0.359702 1 311 63.546 0.00696639 -3.28408 63.546000 Cu 0.997813 0.379702 0.5 314 63.546 0.0129172 -3.28375 63.546000 Cu 0.798675 0.354137 6.34072e-17 378 63.546 0.00295399 -3.28186 63.546000 Cu 0.77874 0.38873 1.02096e-16 395 63.546 0.013118 -3.28011 63.546000 Cu 0.0368518 0.434207 6.79448e-17 336 63.546 0.00935494 -3.27951 63.546000 Cu 0.0576415 0.399195 1 339 63.546 0.00403232 -3.28137 63.546000 Cu 0.198482 0.403151 1 340 63.546 0.0367647 -3.27931 63.546000 Cu 0.117705 0.418281 0.5 342 63.546 0.0201452 -3.27801 63.546000 Cu 0.178213 0.437276 7.54677e-17 365 63.546 0.131918 -3.27765 63.546000 Cu 0.258861 0.42313 0.5 367 63.546 0.0673632 -3.27573 63.546000 Cu 0.338332 0.409356 1 369 63.546 0.0119239 -3.27907 63.546000 Cu 0.476942 0.414987 1 370 63.546 0.0412071 -3.28113 63.546000 Cu 0.417818 0.394898 0.5 371 63.546 0.0279771 -3.28365 63.546000 Cu 0.396894 0.430544 0.5 372 63.546 0.116677 -3.28012 63.546000 Cu 0.557641 0.399195 0.5 376 63.546 0.00403232 -3.28137 63.546000 Cu 0.536852 0.434207 0.5 389 63.546 0.00935494 -3.27951 63.546000 Cu 0.617705 0.418281 0 391 63.546 0.0201452 -3.27801 63.546000 Cu 0.698482 0.403151 0.5 393 63.546 0.0367647 -3.27931 63.546000 Cu 0.678213 0.437276 0.5 394 63.546 0.131918 -3.27765 63.546000 Cu 0.917818 0.394898 1 309 63.546 0.0279771 -3.28365 63.546000 Cu 0.896894 0.430544 0 335 63.546 0.116677 -3.28012 63.546000 Cu 0.976942 0.414987 0.5 337 63.546 0.0412071 -3.28113 63.546000 Cu 0.758861 0.42313 3.58233e-19 392 63.546 0.0673632 -3.27573 63.546000 Cu 0.838332 0.409356 0.5 396 63.546 0.0119239 -3.27907 63.546000 Cu 0.0151835 0.469438 1 361 63.546 0.0351001 -3.27331 63.546000 Cu 0.15727 0.471106 0 362 63.546 0.415725 -3.27256 63.546000 Cu 0.0972864 0.452914 0.5 363 63.546 0.0337396 -3.27674 63.546000 Cu 0.0760455 0.487533 0.5 364 63.546 0.219438 -3.27777 63.546000 Cu 0.239813 0.457114 0.5 368 63.546 0.39668 -3.25314 63.546000 Cu 0.218116 0.48941 0.5 382 63.546 7.38135 -2.99032 63.546000 Cu 0.318261 0.444623 0 366 63.546 0.052992 -3.26321 63.546000 Cu 0.297797 0.480662 0 383 63.546 5.44701 -3.10888 63.546000 Cu 0.43445 0.486874 0 384 63.546 0.396259 -3.25215 63.546000 Cu 0.375052 0.466935 0.5 385 63.546 0.45042 -3.25766 63.546000 Cu 0.455815 0.450685 3.10469e-17 387 63.546 0.10671 -3.27217 63.546000 Cu 0.597286 0.452914 1 388 63.546 0.0337396 -3.27674 63.546000 Cu 0.515184 0.469438 0.5 390 63.546 0.0351001 -3.27331 63.546000 Cu 0.576045 0.487533 6.5676e-18 397 63.546 0.219438 -3.27777 63.546000 Cu 0.718116 0.48941 3.2241e-18 398 63.546 7.38135 -2.99032 63.546000 Cu 0.65727 0.471106 0.5 399 63.546 0.415725 -3.27256 63.546000 Cu 0.739813 0.457114 1 400 63.546 0.39668 -3.25314 63.546000 Cu 0.797797 0.480662 0.5 5 63.546 5.44701 -3.10888 63.546000 Cu 0.818261 0.444623 0.5 16 63.546 0.052992 -3.26321 63.546000 Cu 0.875052 0.466935 2.94945e-17 334 63.546 0.45042 -3.25766 63.546000 Cu 0.955815 0.450685 0.5 338 63.546 0.10671 -3.27217 63.546000 Cu 0.93445 0.486874 0.5 360 63.546 0.396259 -3.25215 63.546000 Cu 0.0763422 0.522331 0.5 2 63.546 0.210202 -3.27684 63.546000 Cu 0.0155664 0.540409 1.69564e-16 9 63.546 0.0343312 -3.27318 63.546000 Cu 0.143147 0.504945 1 32 63.546 3.6519 -3.20827 63.546000 Cu 0.157651 0.538765 9.80364e-17 33 63.546 0.416379 -3.27226 63.546000 Cu 0.218429 0.52046 0.5 34 63.546 7.357 -2.99107 63.546000 Cu 0.240224 0.552765 0.5 38 63.546 0.402363 -3.25336 63.546000 Cu 0.434745 0.522934 2.50047e-16 14 63.546 0.397246 -3.25104 63.546000 Cu 0.298149 0.529204 1.41024e-16 35 63.546 5.46232 -3.10843 63.546000 Cu 0.375477 0.54292 0.5 37 63.546 0.450958 -3.25686 63.546000 Cu 0.352826 0.504905 0.5 386 63.546 4.48861 -3.2615 63.546000 Cu 0.499887 0.504916 0.5 15 63.546 0.491829 -3.27465 63.546000 Cu 0.718429 0.52046 1.54637e-16 3 63.546 7.357 -2.99107 63.546000 Cu 0.643147 0.504945 0.5 4 63.546 3.6519 -3.20827 63.546000 Cu 0.576342 0.522331 1.83535e-16 17 63.546 0.210202 -3.27684 63.546000 Cu 0.657651 0.538765 0.5 19 63.546 0.416379 -3.27226 63.546000 Cu 0.515566 0.540409 0.5 20 63.546 0.0343312 -3.27318 63.546000 Cu 0.740224 0.552765 3.60382e-16 21 63.546 0.402363 -3.25336 63.546000 Cu 0.999887 0.504916 1.25143e-16 1 63.546 0.491829 -3.27465 63.546000 Cu 0.875477 0.54292 2.31657e-16 6 63.546 0.450958 -3.25686 63.546000 Cu 0.934745 0.522934 0.5 7 63.546 0.397246 -3.25104 63.546000 Cu 0.798149 0.529204 0.5 8 63.546 5.46232 -3.10843 63.546000 Cu 0.852826 0.504905 1.20605e-16 359 63.546 4.48861 -3.2615 63.546000 Cu 0.0976509 0.55694 0.5 11 63.546 0.0332163 -3.27665 63.546000 Cu 0.0371684 0.575654 0 10 63.546 0.00964394 -3.27961 63.546000 Cu 0.118011 0.591593 0.5 13 63.546 0.0200319 -3.27815 63.546000 Cu 0.0578606 0.61069 2.0061e-16 29 63.546 0.00407936 -3.28151 63.546000 Cu 0.178566 0.572597 2.34404e-16 58 63.546 0.13247 -3.27761 63.546000 Cu 0.198732 0.606727 1.67175e-16 59 63.546 0.0361698 -3.27939 63.546000 Cu 0.318669 0.565256 2.3118e-16 36 63.546 0.0539873 -3.26296 63.546000 Cu 0.456171 0.55918 2.07417e-16 39 63.546 0.107267 -3.27195 63.546000 Cu 0.4772 0.594899 1.4795e-16 40 63.546 0.0408748 -3.28119 63.546000 Cu 0.397222 0.579343 0.5 42 63.546 0.114678 -3.27982 63.546000 Cu 0.25917 0.586746 0.5 60 63.546 0.0668659 -3.27571 63.546000 Cu 0.338616 0.600534 1 61 63.546 0.0118584 -3.279 63.546000 Cu 0.597651 0.55694 3.20738e-16 18 63.546 0.0332163 -3.27665 63.546000 Cu 0.678566 0.572597 0.5 24 63.546 0.13247 -3.27761 63.546000 Cu 0.537168 0.575654 0.5 41 63.546 0.00964394 -3.27961 63.546000 Cu 0.618011 0.591593 1.79236e-16 43 63.546 0.0200319 -3.27815 63.546000 Cu 0.698732 0.606727 0.5 45 63.546 0.0361698 -3.27939 63.546000 Cu 0.557861 0.61069 0.5 46 63.546 0.00407936 -3.28151 63.546000 Cu 0.956171 0.55918 0.5 12 63.546 0.107267 -3.27195 63.546000 Cu 0.75917 0.586746 3.1417e-16 22 63.546 0.0668659 -3.27571 63.546000 Cu 0.818669 0.565256 0.5 23 63.546 0.0539873 -3.26296 63.546000 Cu 0.897222 0.579343 1.75295e-16 25 63.546 0.114678 -3.27982 63.546000 Cu 0.9772 0.594899 0.5 27 63.546 0.0408748 -3.28119 63.546000 Cu 0.838616 0.600534 0.5 28 63.546 0.0118584 -3.279 63.546000 Cu 0.078537 0.645568 4.39432e-17 30 63.546 0.00153747 -3.28252 63.546000 Cu 0.0188735 0.665246 0.5 53 63.546 0.00339393 -3.28372 63.546000 Cu 0.138508 0.626158 0.5 82 63.546 0.00781372 -3.2808 63.546000 Cu 0.219006 0.641125 2.17328e-17 83 63.546 0.0100704 -3.28112 63.546000 Cu 0.159053 0.660761 0.5 86 63.546 0.0021361 -3.28194 63.546000 Cu 0.358813 0.635508 1 62 63.546 0.00264087 -3.28229 63.546000 Cu 0.41802 0.614996 0.5 63 63.546 0.0275938 -3.28357 63.546000 Cu 0.278956 0.621154 0.5 64 63.546 0.0128457 -3.28025 63.546000 Cu 0.43871 0.650197 0.5 68 63.546 0.00684998 -3.284 63.546000 Cu 0.299244 0.65577 0.5 85 63.546 0.00328377 -3.28195 63.546000 Cu 0.49805 0.630192 4.72867e-17 65 63.546 0.0129777 -3.28368 63.546000 Cu 0.638508 0.626158 0 44 63.546 0.00781372 -3.2808 63.546000 Cu 0.719006 0.641125 0.5 50 63.546 0.0100704 -3.28112 63.546000 Cu 0.518873 0.665246 1 66 63.546 0.00339393 -3.28372 63.546000 Cu 0.578537 0.645568 0.5 67 63.546 0.00153747 -3.28252 63.546000 Cu 0.659053 0.660761 1 69 63.546 0.0021361 -3.28194 63.546000 Cu 0.99805 0.630192 0.5 31 63.546 0.0129777 -3.28368 63.546000 Cu 0.91802 0.614996 3.10588e-16 26 63.546 0.0275938 -3.28357 63.546000 Cu 0.778956 0.621154 9.25435e-17 47 63.546 0.0128457 -3.28025 63.546000 Cu 0.799244 0.65577 1 48 63.546 0.00328377 -3.28195 63.546000 Cu 0.858813 0.635508 0.5 49 63.546 0.00264087 -3.28229 63.546000 Cu 0.93871 0.650197 1 51 63.546 0.00684998 -3.284 63.546000 Cu 0.0992444 0.680383 5.44514e-17 55 63.546 0.000474207 -3.28291 63.546000 Cu 0.119746 0.715175 1 56 63.546 0.000257954 -3.28308 63.546000 Cu 0.0395556 0.70016 0.5 57 63.546 0.000968044 -3.28351 63.546000 Cu 0.179627 0.695439 0.5 108 63.546 0.000683682 -3.28244 63.546000 Cu 0.23946 0.675697 1 84 63.546 0.00293944 -3.28202 63.546000 Cu 0.3793 0.670382 1 87 63.546 0.0007719 -3.28304 63.546000 Cu 0.399818 0.705217 1.05082e-17 88 63.546 0.000311963 -3.2832 63.546000 Cu 0.459394 0.685189 0.5 89 63.546 0.00160026 -3.28371 63.546000 Cu 0.319693 0.690454 0.5 90 63.546 0.000897558 -3.28253 63.546000 Cu 0.479815 0.720081 0.5 94 63.546 0.000311526 -3.28357 63.546000 Cu 0.259862 0.710341 4.39432e-17 109 63.546 0.000642923 -3.28245 63.546000 Cu 0.679627 0.695439 1.00305e-17 70 63.546 0.000683682 -3.28244 63.546000 Cu 0.599244 0.680383 0.5 72 63.546 0.000474207 -3.28291 63.546000 Cu 0.539556 0.70016 1 91 63.546 0.000968044 -3.28351 63.546000 Cu 0.619746 0.715175 0.5 93 63.546 0.000257954 -3.28308 63.546000 Cu 0.73946 0.675697 0.5 71 63.546 0.00293944 -3.28202 63.546000 Cu 0.959394 0.685189 1 52 63.546 0.00160026 -3.28371 63.546000 Cu 0.8793 0.670382 0.5 54 63.546 0.0007719 -3.28304 63.546000 Cu 0.819693 0.690454 0 73 63.546 0.000897558 -3.28253 63.546000 Cu 0.899818 0.705217 0.5 75 63.546 0.000311963 -3.2832 63.546000 Cu 0.759862 0.710341 0.5 76 63.546 0.000642923 -3.28245 63.546000 Cu 0.979815 0.720081 9.81558e-17 77 63.546 0.000311526 -3.28357 63.546000 Cu 0.0598135 0.735019 0.5 79 63.546 0.000237445 -3.28349 63.546000 Cu 0.0798849 0.769859 0.5 81 63.546 0.000127187 -3.2833 63.546000 Cu 0.199884 0.730146 0.5 112 63.546 0.000154718 -3.28272 63.546000 Cu 0.139792 0.749954 2.33448e-16 132 63.546 0.000226691 -3.28307 63.546000 Cu 0.219892 0.76485 0.5 134 63.546 0.000112254 -3.28271 63.546000 Cu 0.279958 0.745034 0 110 63.546 6.86629e-05 -3.28266 63.546000 Cu 0.339981 0.725177 0.5 111 63.546 0.000293419 -3.28281 63.546000 Cu 0.419935 0.740035 6.59149e-17 113 63.546 9.55555e-05 -3.28333 63.546000 Cu 0.440086 0.774874 1 114 63.546 0.000220149 -3.28338 63.546000 Cu 0.360008 0.759929 0.5 116 63.546 0.000143204 -3.28304 63.546000 Cu 0.499923 0.75496 0.5 115 63.546 3.37818e-05 -3.2835 63.546000 Cu 0.559814 0.735019 1 92 63.546 0.000237445 -3.28349 63.546000 Cu 0.699884 0.730146 1 95 63.546 0.000154718 -3.28272 63.546000 Cu 0.719892 0.76485 1 96 63.546 0.000112254 -3.28271 63.546000 Cu 0.639792 0.749954 0.5 98 63.546 0.000226691 -3.28307 63.546000 Cu 0.579885 0.769859 0 117 63.546 0.000127187 -3.2833 63.546000 Cu 0.999923 0.75496 0 78 63.546 3.37818e-05 -3.2835 63.546000 Cu 0.839981 0.725177 1 74 63.546 0.000293419 -3.28281 63.546000 Cu 0.919935 0.740035 0.5 80 63.546 9.55555e-05 -3.28333 63.546000 Cu 0.779958 0.745034 0.5 97 63.546 6.86629e-05 -3.28266 63.546000 Cu 0.860008 0.759929 0 99 63.546 0.000143204 -3.28304 63.546000 Cu 0.940086 0.774874 0.5 101 63.546 0.000220149 -3.28338 63.546000 Cu 0.0201619 0.789816 2.37389e-16 103 63.546 0.000351974 -3.28351 63.546000 Cu 0.0407445 0.824705 0 104 63.546 0.00169121 -3.28372 63.546000 Cu 0.100254 0.804684 0.5 105 63.546 0.000278829 -3.2832 63.546000 Cu 0.159986 0.784718 8.19159e-17 133 63.546 0.000270683 -3.28288 63.546000 Cu 0.180393 0.819436 1.04723e-16 158 63.546 0.000848816 -3.28253 63.546000 Cu 0.240127 0.79954 0.5 138 63.546 0.000793144 -3.28239 63.546000 Cu 0.300049 0.779746 3.54651e-17 135 63.546 0.000146026 -3.28269 63.546000 Cu 0.320443 0.814435 1.095e-16 136 63.546 0.000779028 -3.28243 63.546000 Cu 0.38029 0.794709 0.5 137 63.546 0.00024512 -3.28302 63.546000 Cu 0.460506 0.80973 1.92371e-16 139 63.546 0.00097747 -3.28348 63.546000 Cu 0.400873 0.829492 0.5 142 63.546 0.00050323 -3.28292 63.546000 Cu 0.600254 0.804684 1.38517e-17 118 63.546 0.000278829 -3.2832 63.546000 Cu 0.659986 0.784718 0.5 119 63.546 0.000270683 -3.28288 63.546000 Cu 0.520162 0.789816 0.5 120 63.546 0.000351974 -3.28351 63.546000 Cu 0.740127 0.79954 0 121 63.546 0.000793144 -3.28239 63.546000 Cu 0.680393 0.819436 0.5 124 63.546 0.000848816 -3.28253 63.546000 Cu 0.540745 0.824705 0.5 141 63.546 0.00169121 -3.28372 63.546000 Cu 0.88029 0.794709 1 100 63.546 0.00024512 -3.28302 63.546000 Cu 0.800049 0.779746 0.5 102 63.546 0.000146026 -3.28269 63.546000 Cu 0.960506 0.80973 0.5 106 63.546 0.00097747 -3.28348 63.546000 Cu 0.820443 0.814435 0.5 123 63.546 0.000779028 -3.28243 63.546000 Cu 0.900873 0.829492 3.27186e-17 125 63.546 0.00050323 -3.28292 63.546000 Cu 0.120781 0.839522 0.5 107 63.546 0.000892988 -3.28306 63.546000 Cu 0.0613346 0.8597 5.44514e-17 129 63.546 0.00716696 -3.28402 63.546000 Cu 0.00185039 0.879689 0.5 131 63.546 0.0125359 -3.28362 63.546000 Cu 0.200805 0.854123 7.11689e-17 159 63.546 0.00311241 -3.28186 63.546000 Cu 0.141095 0.874396 0.5 180 63.546 0.003027 -3.28224 63.546000 Cu 0.220944 0.888732 4.94361e-17 181 63.546 0.0129384 -3.28025 63.546000 Cu 0.481222 0.844645 1.3995e-16 140 63.546 0.00362589 -3.28378 63.546000 Cu 0.260621 0.834189 0.5 160 63.546 0.00290956 -3.28199 63.546000 Cu 0.340955 0.849102 9.97082e-17 161 63.546 0.0027165 -3.28199 63.546000 Cu 0.361395 0.883714 3.78533e-17 162 63.546 0.00804578 -3.28086 63.546000 Cu 0.421462 0.86431 0.5 163 63.546 0.00143901 -3.28265 63.546000 Cu 0.280925 0.868746 0.5 164 63.546 0.010821 -3.28113 63.546000 Cu 0.620781 0.839522 1.7231e-16 143 63.546 0.000892988 -3.28306 63.546000 Cu 0.641095 0.874396 1.50219e-16 144 63.546 0.003027 -3.28224 63.546000 Cu 0.700805 0.854123 0.5 145 63.546 0.00311241 -3.28186 63.546000 Cu 0.561335 0.8597 0.5 146 63.546 0.00716696 -3.28402 63.546000 Cu 0.50185 0.879689 2.23537e-16 165 63.546 0.0125359 -3.28362 63.546000 Cu 0.720944 0.888732 0.5 150 63.546 0.0129384 -3.28025 63.546000 Cu 0.760621 0.834189 9.60064e-17 122 63.546 0.00290956 -3.28199 63.546000 Cu 0.921462 0.86431 0 126 63.546 0.00143901 -3.28265 63.546000 Cu 0.981222 0.844645 0.5 127 63.546 0.00362589 -3.28378 63.546000 Cu 0.840955 0.849102 0.5 128 63.546 0.0027165 -3.28199 63.546000 Cu 0.780925 0.868746 3.16678e-16 147 63.546 0.010821 -3.28113 63.546000 Cu 0.861395 0.883714 0.5 149 63.546 0.00804578 -3.28086 63.546000 Cu 0.0819486 0.894901 1 130 63.546 0.0287306 -3.28362 63.546000 Cu 0.0229031 0.914978 0.5 153 63.546 0.0403211 -3.28103 63.546000 Cu 0.103057 0.930536 1 155 63.546 0.115437 -3.28001 63.546000 Cu 0.161488 0.909361 0.5 184 63.546 0.0119705 -3.27914 63.546000 Cu 0.241045 0.923131 9.76782e-17 182 63.546 0.0669139 -3.27581 63.546000 Cu 0.442137 0.899181 0.5 168 63.546 0.0039636 -3.28133 63.546000 Cu 0.30132 0.903144 0.5 183 63.546 0.0369829 -3.27943 63.546000 Cu 0.382124 0.918276 1.87714e-16 185 63.546 0.0202233 -3.27804 63.546000 Cu 0.463099 0.934211 0.5 187 63.546 0.00921367 -3.2795 63.546000 Cu 0.32173 0.937283 0.5 188 63.546 0.131726 -3.27773 63.546000 Cu 0.522903 0.914978 8.17965e-17 166 63.546 0.0403211 -3.28103 63.546000 Cu 0.581949 0.894901 0.5 167 63.546 0.0287306 -3.28362 63.546000 Cu 0.661488 0.909361 1.26814e-16 169 63.546 0.0119705 -3.27914 63.546000 Cu 0.603057 0.930536 0.5 172 63.546 0.115437 -3.28001 63.546000 Cu 0.741045 0.923131 0.5 171 63.546 0.0669139 -3.27581 63.546000 Cu 0.80132 0.903144 8.514e-17 148 63.546 0.0369829 -3.27943 63.546000 Cu 0.942137 0.899181 9.00359e-17 151 63.546 0.0039636 -3.28133 63.546000 Cu 0.963099 0.934211 0 152 63.546 0.00921367 -3.2795 63.546000 Cu 0.882124 0.918276 0.5 154 63.546 0.0202233 -3.27804 63.546000 Cu 0.82173 0.937283 1.43293e-17 173 63.546 0.131726 -3.27773 63.546000 Cu 0.124936 0.966943 0 156 63.546 0.450027 -3.25719 63.546000 Cu 0.0441465 0.950678 0.5 157 63.546 0.104775 -3.27196 63.546000 Cu 0.0655373 0.986899 0.5 178 63.546 0.397275 -3.25178 63.546000 Cu 0.181673 0.944634 0.5 195 63.546 0.0541055 -3.26313 63.546000 Cu 0.202163 0.980687 0.5 199 63.546 5.44749 -3.10817 63.546000 Cu 0.40271 0.952925 1.27889e-16 186 63.546 0.0332344 -3.2767 63.546000 Cu 0.484828 0.96945 0.5 192 63.546 0.0362092 -3.27327 63.546000 Cu 0.260155 0.957119 1.35412e-16 196 63.546 0.399285 -3.25312 63.546000 Cu 0.281845 0.989416 8.64535e-17 197 63.546 7.37768 -2.9907 63.546000 Cu 0.342724 0.971115 0.5 198 63.546 0.418134 -3.27259 63.546000 Cu 0.423958 0.98755 9.48123e-17 200 63.546 0.220145 -3.27776 63.546000 Cu 0.681673 0.944634 1.39711e-17 170 63.546 0.0541055 -3.26313 63.546000 Cu 0.544146 0.950678 6.0422e-17 189 63.546 0.104775 -3.27196 63.546000 Cu 0.565537 0.986899 2.17089e-16 190 63.546 0.397275 -3.25178 63.546000 Cu 0.624936 0.966943 0.5 191 63.546 0.450027 -3.25719 63.546000 Cu 0.702163 0.980687 3.0211e-17 193 63.546 5.44749 -3.10817 63.546000 Cu 0.842724 0.971115 1 174 63.546 0.418134 -3.27259 63.546000 Cu 0.90271 0.952925 0.5 175 63.546 0.0332344 -3.2767 63.546000 Cu 0.760155 0.957119 0.5 176 63.546 0.399285 -3.25312 63.546000 Cu 0.984828 0.96945 5.93473e-17 177 63.546 0.0362092 -3.27327 63.546000 Cu 0.923958 0.98755 0.5 179 63.546 0.220145 -3.27776 63.546000 Cu 0.781845 0.989416 0.5 194 63.546 7.37768 -2.9907