Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.384 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 73.7391 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61288 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 0.150158 0.00461484 7.26227e-18 214 63.546 2.31691 -3.56283 63.546000 Cu 0.0500896 0.00449968 0.5 215 63.546 8.20953 -3.54126 63.546000 Cu 0.079821 0.0358732 2.83889e-17 222 63.546 0.73273 -3.43811 63.546000 Cu 0.189129 0.0571006 0 223 63.546 0.0953818 -3.50197 63.546000 Cu 0.166256 0.0308138 0.5 224 63.546 0.520653 -3.48332 63.546000 Cu 0.348124 0.00458193 1.66672e-16 216 63.546 6.91674 -3.24697 63.546000 Cu 0.251497 0.00459992 0.5 217 63.546 1.21534 -3.49425 63.546000 Cu 0.261199 0.0289397 0 226 63.546 0.596511 -3.48131 63.546000 Cu 0.383233 0.0479067 1 227 63.546 0.0568121 -3.51973 63.546000 Cu 0.367519 0.0252934 0.5 228 63.546 3.68325 -3.4201 63.546000 Cu 0.283956 0.0523465 0.5 229 63.546 0.118416 -3.52688 63.546000 Cu 0.465807 0.0204882 7.61038e-17 230 63.546 9.27812 -3.34005 63.546000 Cu 0.485765 0.042609 0.5 233 63.546 0.737534 -3.46358 63.546000 Cu 0.579821 0.0358732 1 231 63.546 0.73273 -3.43811 63.546000 Cu 0.55009 0.00449968 0.5 232 63.546 8.20953 -3.54126 63.546000 Cu 0.650158 0.00461484 0 234 63.546 2.31691 -3.56283 63.546000 Cu 0.666256 0.0308138 0.5 237 63.546 0.520653 -3.48332 63.546000 Cu 0.689129 0.0571006 4.02726e-17 255 63.546 0.0953818 -3.50197 63.546000 Cu 0.848124 0.00458193 1.00483e-15 211 63.546 6.91674 -3.24697 63.546000 Cu 0.965807 0.0204882 0 212 63.546 9.27812 -3.34005 63.546000 Cu 0.867519 0.0252934 0.5 213 63.546 3.68325 -3.4201 63.546000 Cu 0.883233 0.0479067 2.2501e-16 218 63.546 0.0568121 -3.51973 63.546000 Cu 0.985765 0.042609 0.5 220 63.546 0.737534 -3.46358 63.546000 Cu 0.761199 0.0289397 2.61322e-16 235 63.546 0.596511 -3.48131 63.546000 Cu 0.751497 0.00459992 0.5 236 63.546 1.21534 -3.49425 63.546000 Cu 0.783956 0.0523465 0.5 257 63.546 0.118416 -3.52688 63.546000 Cu 0.00169818 0.0661817 1.38943e-16 219 63.546 0.0487758 -3.53451 63.546000 Cu 0.09738 0.0616202 0.5 225 63.546 0.0796967 -3.50266 63.546000 Cu 0.038026 0.114867 8.9728e-17 240 63.546 0.00216195 -3.5388 63.546000 Cu 0.0191383 0.0905193 0.5 241 63.546 0.00470595 -3.54467 63.546000 Cu 0.115001 0.0862027 6.17593e-17 243 63.546 0.0154587 -3.52821 63.546000 Cu 0.230715 0.105427 7.12422e-17 244 63.546 0.00246731 -3.53435 63.546000 Cu 0.210666 0.0815001 0.5 245 63.546 0.0203213 -3.52388 63.546000 Cu 0.134133 0.110253 0.5 246 63.546 0.00341835 -3.53468 63.546000 Cu 0.306156 0.076314 1 247 63.546 0.00783386 -3.54224 63.546000 Cu 0.423172 0.0952017 0 248 63.546 0.00970926 -3.54897 63.546000 Cu 0.40356 0.0711863 0.5 249 63.546 0.0262961 -3.54711 63.546000 Cu 0.327074 0.10032 0.5 250 63.546 0.00272297 -3.54071 63.546000 Cu 0.501698 0.0661817 1.50047e-16 251 63.546 0.0487758 -3.53451 63.546000 Cu 0.615001 0.0862027 2.10066e-17 252 63.546 0.0154587 -3.52821 63.546000 Cu 0.59738 0.0616202 0.5 253 63.546 0.0796967 -3.50266 63.546000 Cu 0.519138 0.0905193 0.5 254 63.546 0.00470595 -3.54467 63.546000 Cu 0.710666 0.0815001 0.5 258 63.546 0.0203213 -3.52388 63.546000 Cu 0.538026 0.114867 1 273 63.546 0.00216195 -3.5388 63.546000 Cu 0.634133 0.110253 0.5 275 63.546 0.00341835 -3.53468 63.546000 Cu 0.730715 0.105427 1 277 63.546 0.00246731 -3.53435 63.546000 Cu 0.90356 0.0711863 0.5 221 63.546 0.0262961 -3.54711 63.546000 Cu 0.923172 0.0952017 0 239 63.546 0.00970926 -3.54897 63.546000 Cu 0.806156 0.076314 1.70753e-16 256 63.546 0.00783386 -3.54224 63.546000 Cu 0.827074 0.10032 0.5 278 63.546 0.00272297 -3.54071 63.546000 Cu 0.0773091 0.163165 1.20578e-16 262 63.546 0.00011006 -3.53938 63.546000 Cu 0.0576341 0.139045 0.5 263 63.546 0.000654239 -3.53817 63.546000 Cu 0.153852 0.134254 2.30472e-17 265 63.546 0.00045097 -3.53948 63.546000 Cu 0.173443 0.158316 0.5 268 63.546 8.50696e-05 -3.54086 63.546000 Cu 0.269675 0.153446 1.5905e-17 266 63.546 0.000199625 -3.54167 63.546000 Cu 0.250313 0.129376 0.5 267 63.546 0.000556713 -3.5406 63.546000 Cu 0.346629 0.124423 0 269 63.546 0.00166368 -3.54112 63.546000 Cu 0.461766 0.143801 1 270 63.546 0.000233251 -3.5387 63.546000 Cu 0.442396 0.119536 0.5 271 63.546 0.00108262 -3.5412 63.546000 Cu 0.365824 0.148598 0.5 272 63.546 0.000245663 -3.54056 63.546000 Cu 0.385118 0.172753 3.5111e-17 290 63.546 3.77108e-05 -3.53993 63.546000 Cu 0.481181 0.16797 0.5 292 63.546 0.000104501 -3.53902 63.546000 Cu 0.653852 0.134254 1 274 63.546 0.00045097 -3.53948 63.546000 Cu 0.557634 0.139045 0.5 276 63.546 0.000654239 -3.53817 63.546000 Cu 0.577309 0.163165 1 294 63.546 0.00011006 -3.53938 63.546000 Cu 0.673443 0.158316 0.5 296 63.546 8.50696e-05 -3.54086 63.546000 Cu 0.846629 0.124423 1 238 63.546 0.00166368 -3.54112 63.546000 Cu 0.942396 0.119536 0.5 242 63.546 0.00108262 -3.5412 63.546000 Cu 0.885118 0.172753 1 259 63.546 3.77108e-05 -3.53993 63.546000 Cu 0.865824 0.148598 0.5 260 63.546 0.000245663 -3.54056 63.546000 Cu 0.961766 0.143801 9.9331e-17 261 63.546 0.000233251 -3.5387 63.546000 Cu 0.981181 0.16797 0.5 264 63.546 0.000104501 -3.53902 63.546000 Cu 0.750313 0.129376 0.5 279 63.546 0.000556713 -3.5406 63.546000 Cu 0.769675 0.153446 1 298 63.546 0.000199625 -3.54167 63.546000 Cu 0.000620375 0.192088 6.416e-17 282 63.546 2.01606e-05 -3.53976 63.546000 Cu 0.116209 0.211372 6.66808e-17 283 63.546 2.69429e-05 -3.54009 63.546000 Cu 0.0967913 0.187268 0.5 284 63.546 1.68721e-05 -3.53998 63.546000 Cu 0.0200564 0.216199 0.5 285 63.546 2.15984e-05 -3.54008 63.546000 Cu 0.192928 0.182432 0 286 63.546 2.38934e-05 -3.54044 63.546000 Cu 0.212364 0.206537 0.5 289 63.546 5.74759e-05 -3.53995 63.546000 Cu 0.231621 0.230658 8.48065e-17 308 63.546 6.4689e-06 -3.5398 63.546000 Cu 0.308431 0.201715 0 287 63.546 1.3917e-05 -3.53986 63.546000 Cu 0.289031 0.177583 0.5 288 63.546 3.29335e-05 -3.54069 63.546000 Cu 0.404502 0.196897 0.5 293 63.546 1.43864e-05 -3.53979 63.546000 Cu 0.327774 0.225832 0.5 310 63.546 2.1672e-05 -3.53988 63.546000 Cu 0.423899 0.221015 1 312 63.546 1.4953e-05 -3.53995 63.546000 Cu 0.50062 0.192088 3.45108e-17 291 63.546 2.01606e-05 -3.53976 63.546000 Cu 0.692928 0.182432 1 295 63.546 2.38934e-05 -3.54044 63.546000 Cu 0.596791 0.187268 0.5 297 63.546 1.68721e-05 -3.53998 63.546000 Cu 0.520056 0.216199 0.5 314 63.546 2.15984e-05 -3.54008 63.546000 Cu 0.616209 0.211372 0 316 63.546 2.69429e-05 -3.54009 63.546000 Cu 0.731621 0.230658 0 317 63.546 6.4689e-06 -3.5398 63.546000 Cu 0.712364 0.206537 0.5 318 63.546 5.74759e-05 -3.53995 63.546000 Cu 0.923899 0.221015 0 280 63.546 1.4953e-05 -3.53995 63.546000 Cu 0.904502 0.196897 0.5 281 63.546 1.43864e-05 -3.53979 63.546000 Cu 0.789031 0.177583 0.5 299 63.546 3.29335e-05 -3.54069 63.546000 Cu 0.808431 0.201715 1.38643e-17 320 63.546 1.3917e-05 -3.53986 63.546000 Cu 0.827774 0.225832 0.5 321 63.546 2.1672e-05 -3.53988 63.546000 Cu 0.0393641 0.24031 0 304 63.546 1.71925e-05 -3.53972 63.546000 Cu 0.154732 0.259587 1 305 63.546 5.30959e-06 -3.53953 63.546000 Cu 0.135507 0.235481 0.5 306 63.546 1.0835e-05 -3.53973 63.546000 Cu 0.0586156 0.264403 0.5 307 63.546 9.69326e-06 -3.53931 63.546000 Cu 0.0778142 0.288502 1 326 63.546 3.14257e-05 -3.53961 63.546000 Cu 0.173936 0.283702 0.5 328 63.546 8.29277e-06 -3.53998 63.546000 Cu 0.347012 0.249946 1 309 63.546 6.02098e-06 -3.54009 63.546000 Cu 0.250856 0.254766 0.5 311 63.546 3.53703e-06 -3.53993 63.546000 Cu 0.443215 0.245129 0.5 315 63.546 1.87197e-05 -3.53989 63.546000 Cu 0.270099 0.278886 0 330 63.546 1.86869e-05 -3.54033 63.546000 Cu 0.36627 0.274049 0.5 332 63.546 7.12253e-06 -3.54015 63.546000 Cu 0.462455 0.269219 0 334 63.546 8.01628e-06 -3.53962 63.546000 Cu 0.481688 0.293316 0.5 337 63.546 3.18938e-05 -3.53967 63.546000 Cu 0.539364 0.24031 1 313 63.546 1.71925e-05 -3.53972 63.546000 Cu 0.635507 0.235481 0.5 319 63.546 1.0835e-05 -3.53973 63.546000 Cu 0.577814 0.288502 5.78581e-17 335 63.546 3.14257e-05 -3.53961 63.546000 Cu 0.558616 0.264403 0.5 336 63.546 9.69326e-06 -3.53931 63.546000 Cu 0.654732 0.259587 7.74242e-18 338 63.546 5.30959e-06 -3.53953 63.546000 Cu 0.673936 0.283702 0.5 341 63.546 8.29277e-06 -3.53998 63.546000 Cu 0.847012 0.249946 1 300 63.546 6.02098e-06 -3.54009 63.546000 Cu 0.962455 0.269219 1 301 63.546 8.01628e-06 -3.53962 63.546000 Cu 0.943215 0.245129 0.5 302 63.546 1.87197e-05 -3.53989 63.546000 Cu 0.86627 0.274049 0.5 303 63.546 7.12253e-06 -3.54015 63.546000 Cu 0.981688 0.293316 0.5 324 63.546 3.18938e-05 -3.53967 63.546000 Cu 0.770099 0.278886 8.34261e-18 339 63.546 1.86869e-05 -3.54033 63.546000 Cu 0.750856 0.254766 0.5 340 63.546 3.53703e-06 -3.53993 63.546000 Cu 0.000869759 0.317427 2.00463e-17 323 63.546 3.05207e-05 -3.53939 63.546000 Cu 0.193098 0.307831 1 327 63.546 4.30186e-05 -3.54015 63.546000 Cu 0.0969809 0.312636 0.5 329 63.546 9.15944e-06 -3.53959 63.546000 Cu 0.0200778 0.34154 0.5 345 63.546 8.63481e-05 -3.53863 63.546000 Cu 0.116156 0.336762 6.00187e-19 347 63.546 3.21494e-05 -3.53955 63.546000 Cu 0.212292 0.331951 0.5 349 63.546 6.92752e-05 -3.54058 63.546000 Cu 0.385528 0.298148 0 331 63.546 2.57275e-05 -3.54013 63.546000 Cu 0.28928 0.302998 0.5 333 63.546 2.40474e-05 -3.54043 63.546000 Cu 0.308493 0.327096 1.53648e-17 351 63.546 8.47023e-06 -3.54057 63.546000 Cu 0.423955 0.346341 3.06696e-17 352 63.546 0.000119524 -3.5391 63.546000 Cu 0.404687 0.322244 0.5 353 63.546 3.83097e-05 -3.53986 63.546000 Cu 0.327758 0.351186 0.5 354 63.546 6.56008e-05 -3.5408 63.546000 Cu 0.50087 0.317427 1 355 63.546 3.05207e-05 -3.53939 63.546000 Cu 0.616156 0.336762 8.12654e-17 356 63.546 3.21494e-05 -3.53955 63.546000 Cu 0.596981 0.312636 0.5 357 63.546 9.15944e-06 -3.53959 63.546000 Cu 0.520078 0.34154 0.5 358 63.546 8.63481e-05 -3.53863 63.546000 Cu 0.693098 0.307831 1 359 63.546 4.30186e-05 -3.54015 63.546000 Cu 0.712292 0.331951 0.5 362 63.546 6.92752e-05 -3.54058 63.546000 Cu 0.885528 0.298148 1 322 63.546 2.57275e-05 -3.54013 63.546000 Cu 0.904687 0.322244 0.5 325 63.546 3.83097e-05 -3.53986 63.546000 Cu 0.923955 0.346341 1 343 63.546 0.000119524 -3.5391 63.546000 Cu 0.808493 0.327096 1 360 63.546 8.47023e-06 -3.54057 63.546000 Cu 0.78928 0.302998 0.5 361 63.546 2.40474e-05 -3.54043 63.546000 Cu 0.827758 0.351186 0.5 382 63.546 6.56008e-05 -3.5408 63.546000 Cu 0.0393176 0.365696 0 344 63.546 0.000227985 -3.53864 63.546000 Cu 0.231462 0.356064 0 348 63.546 0.000198843 -3.54153 63.546000 Cu 0.135299 0.360914 0.5 350 63.546 0.000273455 -3.54035 63.546000 Cu 0.0584058 0.389953 0.5 367 63.546 0.00101016 -3.54142 63.546000 Cu 0.154274 0.385075 0 369 63.546 0.00161819 -3.54117 63.546000 Cu 0.17358 0.409181 0.5 372 63.546 0.00293833 -3.54092 63.546000 Cu 0.270029 0.404067 1 370 63.546 0.00248142 -3.53431 63.546000 Cu 0.250646 0.380128 0.5 371 63.546 0.000508646 -3.54055 63.546000 Cu 0.34715 0.37524 1 373 63.546 0.000482364 -3.53944 63.546000 Cu 0.46274 0.394629 1 374 63.546 0.00200374 -3.53896 63.546000 Cu 0.44339 0.370438 0.5 375 63.546 0.000764975 -3.53813 63.546000 Cu 0.366616 0.399236 0.5 376 63.546 0.00361224 -3.53458 63.546000 Cu 0.539318 0.365696 1 377 63.546 0.000227985 -3.53864 63.546000 Cu 0.654274 0.385075 1 378 63.546 0.00161819 -3.54117 63.546000 Cu 0.635299 0.360914 0.5 379 63.546 0.000273455 -3.54035 63.546000 Cu 0.558406 0.389953 0.5 380 63.546 0.00101016 -3.54142 63.546000 Cu 0.731462 0.356064 1 381 63.546 0.000198843 -3.54153 63.546000 Cu 0.67358 0.409181 0.5 400 63.546 0.00293833 -3.54092 63.546000 Cu 0.84715 0.37524 1 342 63.546 0.000482364 -3.53944 63.546000 Cu 0.94339 0.370438 0.5 346 63.546 0.000764975 -3.53813 63.546000 Cu 0.866616 0.399236 0.5 364 63.546 0.00361224 -3.53458 63.546000 Cu 0.96274 0.394629 4.37537e-17 365 63.546 0.00200374 -3.53896 63.546000 Cu 0.750646 0.380128 0.5 383 63.546 0.000508646 -3.54055 63.546000 Cu 0.770029 0.404067 1 402 63.546 0.00248142 -3.53431 63.546000 Cu 0.077401 0.414287 1 366 63.546 0.00947464 -3.54904 63.546000 Cu 0.117048 0.461576 1.53048e-16 387 63.546 0.0550601 -3.51981 63.546000 Cu 0.0968766 0.438297 0.5 388 63.546 0.0256469 -3.547 63.546000 Cu 0.0145667 0.466873 0.5 389 63.546 0.740043 -3.46371 63.546000 Cu 0.194312 0.433185 1 390 63.546 0.00796695 -3.5424 63.546000 Cu 0.216418 0.457148 0.5 393 63.546 0.119302 -3.52697 63.546000 Cu 0.311232 0.452398 3.5351e-17 391 63.546 0.0966476 -3.50179 63.546000 Cu 0.289867 0.427997 0.5 392 63.546 0.020698 -3.52378 63.546000 Cu 0.385497 0.423293 1 394 63.546 0.015233 -3.52797 63.546000 Cu 0.481391 0.418973 0.5 396 63.546 0.00454714 -3.54466 63.546000 Cu 0.402968 0.447883 0.5 397 63.546 0.0807835 -3.50228 63.546000 Cu 0.498676 0.443305 1 395 63.546 0.0486959 -3.53414 63.546000 Cu 0.716418 0.457148 0.5 12 63.546 0.119302 -3.52697 63.546000 Cu 0.617048 0.461576 6.60206e-19 205 63.546 0.0550601 -3.51981 63.546000 Cu 0.514567 0.466873 0.5 210 63.546 0.740043 -3.46371 63.546000 Cu 0.577401 0.414287 0 398 63.546 0.00947464 -3.54904 63.546000 Cu 0.694312 0.433185 0 399 63.546 0.00796695 -3.5424 63.546000 Cu 0.596877 0.438297 0.5 401 63.546 0.0256469 -3.547 63.546000 Cu 0.998676 0.443305 8.37261e-17 386 63.546 0.0486959 -3.53414 63.546000 Cu 0.811232 0.452398 0 5 63.546 0.0966476 -3.50179 63.546000 Cu 0.885497 0.423293 1 363 63.546 0.015233 -3.52797 63.546000 Cu 0.981391 0.418973 0.5 368 63.546 0.00454714 -3.54466 63.546000 Cu 0.902968 0.447883 0.5 385 63.546 0.0807835 -3.50228 63.546000 Cu 0.789867 0.427997 0.5 403 63.546 0.020698 -3.52378 63.546000 Cu 0.0346073 0.520857 4.12929e-17 4 63.546 9.24053 -3.33819 63.546000 Cu 0.13279 0.525641 0.5 6 63.546 3.65586 -3.42057 63.546000 Cu 0.151907 0.504891 8.84136e-16 7 63.546 6.90405 -3.24644 63.546000 Cu 0.238905 0.529237 5.65377e-17 8 63.546 0.58435 -3.48217 63.546000 Cu 0.248549 0.504904 0.5 9 63.546 1.21114 -3.49441 63.546000 Cu 0.0343875 0.489036 1.23038e-17 406 63.546 9.26959 -3.33979 63.546000 Cu 0.132755 0.484177 0.5 407 63.546 3.67226 -3.41908 63.546000 Cu 0.239047 0.48057 7.14223e-18 408 63.546 0.598172 -3.48198 63.546000 Cu 0.450015 0.505056 0.5 209 63.546 8.21595 -3.54066 63.546000 Cu 0.349938 0.504917 1 409 63.546 2.32462 -3.56273 63.546000 Cu 0.33407 0.478706 0.5 410 63.546 0.532529 -3.48334 63.546000 Cu 0.42038 0.473622 5.07158e-17 411 63.546 0.743375 -3.43769 63.546000 Cu 0.651907 0.504891 7.65599e-16 1 63.546 6.90405 -3.24644 63.546000 Cu 0.748549 0.504904 0.5 3 63.546 1.21114 -3.49441 63.546000 Cu 0.632755 0.484177 0.5 10 63.546 3.67226 -3.41908 63.546000 Cu 0.534607 0.520857 0 14 63.546 9.24053 -3.33819 63.546000 Cu 0.63279 0.525641 0.5 16 63.546 3.65586 -3.42057 63.546000 Cu 0.738905 0.529237 2.04784e-16 18 63.546 0.58435 -3.48217 63.546000 Cu 0.739047 0.48057 6.31397e-17 203 63.546 0.598172 -3.48198 63.546000 Cu 0.534387 0.489036 7.6944e-17 412 63.546 9.26959 -3.33979 63.546000 Cu 0.83407 0.478706 0.5 2 63.546 0.532529 -3.48334 63.546000 Cu 0.92038 0.473622 1 384 63.546 0.743375 -3.43769 63.546000 Cu 0.849938 0.504917 3.66715e-17 404 63.546 2.32462 -3.56273 63.546000 Cu 0.950015 0.505056 0.5 405 63.546 8.21595 -3.54066 63.546000 Cu 0.014489 0.54296 0.5 24 63.546 0.715563 -3.46437 63.546000 Cu 0.117001 0.548265 2.14987e-16 26 63.546 0.055552 -3.5196 63.546000 Cu 0.0967037 0.571521 0.5 27 63.546 0.0251313 -3.54705 63.546000 Cu 0.19414 0.576626 1.75855e-17 28 63.546 0.00790362 -3.54212 63.546000 Cu 0.216274 0.552669 0.5 29 63.546 0.116959 -3.5271 63.546000 Cu 0.420325 0.536166 6.94417e-17 11 63.546 0.710391 -3.44082 63.546000 Cu 0.333893 0.531116 0.5 13 63.546 0.506873 -3.48443 63.546000 Cu 0.31108 0.5574 1.58449e-17 30 63.546 0.0951859 -3.50249 63.546000 Cu 0.385299 0.586478 5.16161e-17 31 63.546 0.0148492 -3.52797 63.546000 Cu 0.402785 0.561913 0.5 32 63.546 0.0816527 -3.50309 63.546000 Cu 0.289675 0.581791 0.5 33 63.546 0.0209038 -3.52363 63.546000 Cu 0.4985 0.566507 0 34 63.546 0.0492625 -3.53505 63.546000 Cu 0.617001 0.548265 2.50818e-16 15 63.546 0.055552 -3.5196 63.546000 Cu 0.514489 0.54296 0.5 17 63.546 0.715563 -3.46437 63.546000 Cu 0.716274 0.552669 0.5 21 63.546 0.116959 -3.5271 63.546000 Cu 0.596704 0.571521 0.5 36 63.546 0.0251313 -3.54705 63.546000 Cu 0.69414 0.576626 2.40855e-16 38 63.546 0.00790362 -3.54212 63.546000 Cu 0.81108 0.5574 2.10666e-17 19 63.546 0.0951859 -3.50249 63.546000 Cu 0.833893 0.531116 0.5 20 63.546 0.506873 -3.48443 63.546000 Cu 0.920325 0.536166 1.55268e-16 22 63.546 0.710391 -3.44082 63.546000 Cu 0.9985 0.566507 0 23 63.546 0.0492625 -3.53505 63.546000 Cu 0.902785 0.561913 0.5 25 63.546 0.0816527 -3.50309 63.546000 Cu 0.789675 0.581791 0.5 40 63.546 0.0209038 -3.52363 63.546000 Cu 0.885299 0.586478 5.47971e-17 42 63.546 0.0148492 -3.52797 63.546000 Cu 0.0772316 0.595503 9.18287e-18 46 63.546 0.00918332 -3.54897 63.546000 Cu 0.058207 0.619802 0.5 47 63.546 0.000870957 -3.54106 63.546000 Cu 0.154061 0.624668 0 48 63.546 0.00165582 -3.54076 63.546000 Cu 0.173389 0.600604 0.5 49 63.546 0.00281196 -3.54055 63.546000 Cu 0.0391556 0.644015 1 66 63.546 0.000216226 -3.53858 63.546000 Cu 0.250466 0.629598 0.5 53 63.546 0.000450067 -3.54017 63.546000 Cu 0.481205 0.590816 0.5 37 63.546 0.00429045 -3.54486 63.546000 Cu 0.269798 0.605695 1 50 63.546 0.00260639 -3.53403 63.546000 Cu 0.346966 0.634477 7.55636e-17 51 63.546 0.000482085 -3.53918 63.546000 Cu 0.366411 0.61051 0.5 52 63.546 0.0033239 -3.53453 63.546000 Cu 0.46257 0.615119 1.39844e-17 54 63.546 0.00206214 -3.53886 63.546000 Cu 0.443198 0.639262 0.5 57 63.546 0.000670858 -3.53814 63.546000 Cu 0.577232 0.595503 3.54111e-17 35 63.546 0.00918332 -3.54897 63.546000 Cu 0.673389 0.600604 0.5 41 63.546 0.00281196 -3.54055 63.546000 Cu 0.539156 0.644015 9.9211e-17 55 63.546 0.000216226 -3.53858 63.546000 Cu 0.558207 0.619802 0.5 56 63.546 0.000870957 -3.54106 63.546000 Cu 0.654061 0.624668 1.11635e-16 58 63.546 0.00165582 -3.54076 63.546000 Cu 0.750466 0.629598 0.5 60 63.546 0.000450067 -3.54017 63.546000 Cu 0.769798 0.605695 8.28859e-17 39 63.546 0.00260639 -3.53403 63.546000 Cu 0.96257 0.615119 1.54848e-17 43 63.546 0.00206214 -3.53886 63.546000 Cu 0.981205 0.590816 0.5 44 63.546 0.00429045 -3.54486 63.546000 Cu 0.866411 0.61051 0.5 45 63.546 0.0033239 -3.53453 63.546000 Cu 0.846966 0.634477 3.91922e-17 62 63.546 0.000482085 -3.53918 63.546000 Cu 0.943198 0.639262 0.5 64 63.546 0.000670858 -3.53814 63.546000 Cu 0.116012 0.672924 2.45477e-17 67 63.546 0.000102282 -3.53993 63.546000 Cu 0.135103 0.648793 0.5 68 63.546 0.000230121 -3.54016 63.546000 Cu 0.0199348 0.668139 0.5 69 63.546 0.000200609 -3.53907 63.546000 Cu 0.231254 0.653622 1 70 63.546 0.000320208 -3.54124 63.546000 Cu 0.212048 0.677719 0.5 73 63.546 8.80976e-05 -3.54061 63.546000 Cu 0.0966255 0.697034 0.5 88 63.546 9.70581e-05 -3.53996 63.546000 Cu 0.192692 0.70183 5.86983e-17 90 63.546 3.52323e-05 -3.54 63.546000 Cu 0.000497039 0.692211 4.02126e-18 86 63.546 4.50473e-05 -3.53987 63.546000 Cu 0.308154 0.682542 9.09284e-17 71 63.546 7.51791e-05 -3.54051 63.546000 Cu 0.327543 0.65848 0.5 72 63.546 8.11245e-05 -3.5406 63.546000 Cu 0.423781 0.663333 2.72485e-17 74 63.546 0.00012714 -3.53926 63.546000 Cu 0.404336 0.687378 0.5 77 63.546 1.7888e-05 -3.54001 63.546000 Cu 0.500497 0.692211 1 75 63.546 4.50473e-05 -3.53987 63.546000 Cu 0.731254 0.653622 5.20363e-17 59 63.546 0.000320208 -3.54124 63.546000 Cu 0.635103 0.648793 0.5 61 63.546 0.000230121 -3.54016 63.546000 Cu 0.519935 0.668139 0.5 76 63.546 0.000200609 -3.53907 63.546000 Cu 0.616012 0.672924 7.0402e-17 78 63.546 0.000102282 -3.53993 63.546000 Cu 0.692692 0.70183 7.20825e-17 79 63.546 3.52323e-05 -3.54 63.546000 Cu 0.712048 0.677719 0.5 80 63.546 8.80976e-05 -3.54061 63.546000 Cu 0.596626 0.697034 0.5 81 63.546 9.70581e-05 -3.53996 63.546000 Cu 0.923781 0.663333 8.82876e-17 63 63.546 0.00012714 -3.53926 63.546000 Cu 0.827543 0.65848 0.5 65 63.546 8.11245e-05 -3.5406 63.546000 Cu 0.808154 0.682542 7.25026e-17 82 63.546 7.51791e-05 -3.54051 63.546000 Cu 0.904336 0.687378 0.5 84 63.546 1.7888e-05 -3.54001 63.546000 Cu 0.0770928 0.721105 1.19797e-16 87 63.546 1.43103e-05 -3.54001 63.546000 Cu 0.173194 0.725917 0.5 93 63.546 1.32571e-05 -3.53982 63.546000 Cu 0.0575999 0.745173 0.5 108 63.546 1.90797e-05 -3.53991 63.546000 Cu 0.153701 0.749999 7.95849e-17 111 63.546 4.15651e-05 -3.53991 63.546000 Cu 0.249774 0.754795 0.5 113 63.546 4.90983e-06 -3.53979 63.546000 Cu 0.269262 0.730715 5.26965e-17 91 63.546 4.88607e-06 -3.5398 63.546000 Cu 0.288741 0.70662 0.5 92 63.546 3.45099e-05 -3.5401 63.546000 Cu 0.384813 0.711439 6.398e-17 94 63.546 3.08425e-05 -3.54026 63.546000 Cu 0.461483 0.740338 2.12466e-17 95 63.546 1.11591e-05 -3.5399 63.546000 Cu 0.480952 0.716278 0.5 96 63.546 8.66583e-06 -3.54024 63.546000 Cu 0.365347 0.735514 0.5 97 63.546 2.29105e-05 -3.5399 63.546000 Cu 0.345863 0.759581 1 114 63.546 2.85636e-05 -3.53965 63.546000 Cu 0.441945 0.764387 0.5 116 63.546 3.96502e-05 -3.53957 63.546000 Cu 0.577093 0.721105 8.48065e-17 98 63.546 1.43103e-05 -3.54001 63.546000 Cu 0.653701 0.749999 1.57129e-16 99 63.546 4.15651e-05 -3.53991 63.546000 Cu 0.673194 0.725917 0.5 100 63.546 1.32571e-05 -3.53982 63.546000 Cu 0.5576 0.745173 0.5 101 63.546 1.90797e-05 -3.53991 63.546000 Cu 0.749774 0.754795 0.5 105 63.546 4.90983e-06 -3.53979 63.546000 Cu 0.884813 0.711439 2.10066e-17 83 63.546 3.08425e-05 -3.54026 63.546000 Cu 0.788741 0.70662 0.5 85 63.546 3.45099e-05 -3.5401 63.546000 Cu 0.980952 0.716278 0.5 89 63.546 8.66583e-06 -3.54024 63.546000 Cu 0.769262 0.730715 1.99502e-16 102 63.546 4.88607e-06 -3.5398 63.546000 Cu 0.845863 0.759581 0 103 63.546 2.85636e-05 -3.53965 63.546000 Cu 0.865347 0.735514 0.5 104 63.546 2.29105e-05 -3.5399 63.546000 Cu 0.961483 0.740338 0 106 63.546 1.11591e-05 -3.5399 63.546000 Cu 0.941945 0.764387 0.5 109 63.546 3.96502e-05 -3.53957 63.546000 Cu 0.03806 0.769221 3.42107e-17 107 63.546 3.3034e-06 -3.53976 63.546000 Cu 0.134203 0.77406 0.5 110 63.546 3.11426e-05 -3.54009 63.546000 Cu 0.230332 0.778879 1 112 63.546 4.42881e-05 -3.54019 63.546000 Cu 0.018533 0.793262 0.5 128 63.546 0.000116219 -3.54 63.546000 Cu 0.1147 0.79811 4.39337e-17 130 63.546 3.58052e-05 -3.54034 63.546000 Cu 0.095339 0.82216 0.5 131 63.546 4.30762e-05 -3.54009 63.546000 Cu 0.210866 0.802958 0.5 133 63.546 9.9102e-05 -3.54041 63.546000 Cu 0.422427 0.78845 0 115 63.546 0.000112437 -3.53984 63.546000 Cu 0.326384 0.783667 0.5 117 63.546 1.30319e-05 -3.54 63.546000 Cu 0.306999 0.807768 1.05993e-16 134 63.546 7.37856e-05 -3.54001 63.546000 Cu 0.403086 0.812547 0.5 136 63.546 2.56024e-05 -3.53952 63.546000 Cu 0.499171 0.817332 7.3703e-17 138 63.546 8.90893e-05 -3.53957 63.546000 Cu 0.53806 0.769221 0 118 63.546 3.3034e-06 -3.53976 63.546000 Cu 0.6147 0.79811 0 119 63.546 3.58052e-05 -3.54034 63.546000 Cu 0.634203 0.77406 0.5 120 63.546 3.11426e-05 -3.54009 63.546000 Cu 0.518533 0.793262 0.5 121 63.546 0.000116219 -3.54 63.546000 Cu 0.730332 0.778879 0 122 63.546 4.42881e-05 -3.54019 63.546000 Cu 0.710866 0.802958 0.5 125 63.546 9.9102e-05 -3.54041 63.546000 Cu 0.595339 0.82216 0.5 140 63.546 4.30762e-05 -3.54009 63.546000 Cu 0.806999 0.807768 1.50647e-17 123 63.546 7.37856e-05 -3.54001 63.546000 Cu 0.826384 0.783667 0.5 124 63.546 1.30319e-05 -3.54 63.546000 Cu 0.922427 0.78845 4.33936e-17 126 63.546 0.000112437 -3.53984 63.546000 Cu 0.999171 0.817332 2.04664e-17 127 63.546 8.90893e-05 -3.53957 63.546000 Cu 0.903086 0.812547 0.5 129 63.546 2.56024e-05 -3.53952 63.546000 Cu 0.191562 0.827018 0 132 63.546 6.16041e-05 -3.54058 63.546000 Cu 0.0760524 0.846205 1.53648e-16 150 63.546 0.000140949 -3.53907 63.546000 Cu 0.0566976 0.870254 0.5 151 63.546 0.000822503 -3.53807 63.546000 Cu 0.152925 0.875055 0 152 63.546 0.000476563 -3.53937 63.546000 Cu 0.172337 0.851052 0.5 153 63.546 6.15792e-05 -3.54075 63.546000 Cu 0.249455 0.879937 0.5 157 63.546 0.000524872 -3.54043 63.546000 Cu 0.38386 0.836631 1.58449e-16 135 63.546 4.70253e-05 -3.53923 63.546000 Cu 0.287768 0.831848 0.5 137 63.546 0.000105882 -3.54033 63.546000 Cu 0.479915 0.841408 0.5 141 63.546 0.000116243 -3.53841 63.546000 Cu 0.268659 0.855923 6.81813e-17 154 63.546 0.000330649 -3.54137 63.546000 Cu 0.364812 0.860755 0.5 156 63.546 0.000305789 -3.54007 63.546000 Cu 0.460756 0.865513 0 158 63.546 0.000269486 -3.53838 63.546000 Cu 0.576052 0.846205 1 139 63.546 0.000140949 -3.53907 63.546000 Cu 0.691562 0.827018 0 142 63.546 6.16041e-05 -3.54058 63.546000 Cu 0.672337 0.851052 0.5 145 63.546 6.15792e-05 -3.54075 63.546000 Cu 0.556698 0.870254 0.5 160 63.546 0.000822503 -3.53807 63.546000 Cu 0.652925 0.875055 1 162 63.546 0.000476563 -3.53937 63.546000 Cu 0.749455 0.879937 0.5 164 63.546 0.000524872 -3.54043 63.546000 Cu 0.768659 0.855923 5.49171e-17 143 63.546 0.000330649 -3.54137 63.546000 Cu 0.787768 0.831848 0.5 144 63.546 0.000105882 -3.54033 63.546000 Cu 0.88386 0.836631 1 146 63.546 4.70253e-05 -3.53923 63.546000 Cu 0.960756 0.865513 1.2922e-16 147 63.546 0.000269486 -3.53838 63.546000 Cu 0.979915 0.841408 0.5 148 63.546 0.000116243 -3.53841 63.546000 Cu 0.864812 0.860755 0.5 149 63.546 0.000305789 -3.54007 63.546000 Cu 0.0373262 0.894406 0 170 63.546 0.00195086 -3.53891 63.546000 Cu 0.114504 0.923038 1.21838e-17 171 63.546 0.0152275 -3.5278 63.546000 Cu 0.133433 0.899012 0.5 172 63.546 0.00351265 -3.53446 63.546000 Cu 0.0186316 0.918712 0.5 173 63.546 0.00458442 -3.54475 63.546000 Cu 0.230008 0.903827 1.49627e-16 174 63.546 0.00263859 -3.53419 63.546000 Cu 0.210079 0.927733 0.5 177 63.546 0.0204554 -3.52352 63.546000 Cu 0.345868 0.884873 1.22078e-16 155 63.546 0.00197846 -3.54107 63.546000 Cu 0.441714 0.889736 0.5 161 63.546 0.00097611 -3.54132 63.546000 Cu 0.305644 0.932891 0 175 63.546 0.00806421 -3.54214 63.546000 Cu 0.326449 0.908927 0.5 176 63.546 0.00272853 -3.54091 63.546000 Cu 0.422642 0.914028 8.38462e-17 178 63.546 0.00957441 -3.54913 63.546000 Cu 0.403094 0.937997 0.5 181 63.546 0.0255753 -3.54699 63.546000 Cu 0.537326 0.894406 1 159 63.546 0.00195086 -3.53891 63.546000 Cu 0.730008 0.903827 1 163 63.546 0.00263859 -3.53419 63.546000 Cu 0.633433 0.899012 0.5 165 63.546 0.00351265 -3.53446 63.546000 Cu 0.518632 0.918712 0.5 180 63.546 0.00458442 -3.54475 63.546000 Cu 0.614504 0.923038 9.9391e-17 182 63.546 0.0152275 -3.5278 63.546000 Cu 0.710079 0.927733 0.5 184 63.546 0.0204554 -3.52352 63.546000 Cu 0.845868 0.884873 0 166 63.546 0.00197846 -3.54107 63.546000 Cu 0.922642 0.914028 0 167 63.546 0.00957441 -3.54913 63.546000 Cu 0.941714 0.889736 0.5 168 63.546 0.00097611 -3.54132 63.546000 Cu 0.826449 0.908927 0.5 169 63.546 0.00272853 -3.54091 63.546000 Cu 0.805644 0.932891 0 186 63.546 0.00806421 -3.54214 63.546000 Cu 0.903094 0.937997 0.5 188 63.546 0.0255753 -3.54699 63.546000 Cu 0.0795277 0.97336 1 191 63.546 0.710969 -3.44024 63.546000 Cu 0.0970078 0.94761 0.5 192 63.546 0.0806506 -3.50288 63.546000 Cu 0.188736 0.95212 0 194 63.546 0.0955079 -3.50228 63.546000 Cu 0.165989 0.978413 0.5 197 63.546 0.51247 -3.48499 63.546000 Cu 0.00133644 0.943014 0 190 63.546 0.05051 -3.53478 63.546000 Cu 0.260981 0.980264 0 195 63.546 0.588407 -3.48204 63.546000 Cu 0.283467 0.956831 0.5 196 63.546 0.119912 -3.52675 63.546000 Cu 0.382822 0.961234 5.63576e-17 198 63.546 0.0560223 -3.51942 63.546000 Cu 0.465392 0.988645 1.23639e-16 199 63.546 9.24233 -3.3379 63.546000 Cu 0.485371 0.966553 0.5 200 63.546 0.718967 -3.46343 63.546000 Cu 0.367071 0.983841 0.5 201 63.546 3.64109 -3.41986 63.546000 Cu 0.501336 0.943014 1.25799e-16 179 63.546 0.05051 -3.53478 63.546000 Cu 0.688736 0.95212 1.09294e-16 183 63.546 0.0955079 -3.50228 63.546000 Cu 0.597008 0.94761 0.5 185 63.546 0.0806506 -3.50288 63.546000 Cu 0.579528 0.97336 9.30891e-17 202 63.546 0.710969 -3.44024 63.546000 Cu 0.665989 0.978413 0.5 204 63.546 0.51247 -3.48499 63.546000 Cu 0.882822 0.961234 1.75135e-16 187 63.546 0.0560223 -3.51942 63.546000 Cu 0.783467 0.956831 0.5 189 63.546 0.119912 -3.52675 63.546000 Cu 0.985371 0.966553 0.5 193 63.546 0.718967 -3.46343 63.546000 Cu 0.760981 0.980264 9.32691e-17 206 63.546 0.588407 -3.48204 63.546000 Cu 0.867071 0.983841 0.5 207 63.546 3.64109 -3.41986 63.546000 Cu 0.965392 0.988645 0 208 63.546 9.24233 -3.3379