Number of particles = 398 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.022 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 72.3072 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.62343 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 0.0990529 0.044645 0 210 63.546 0.0708971 -3.54378 63.546000 Cu 0.0400505 0.0242621 0.5 211 63.546 0.0902455 -3.53672 63.546000 Cu 0.119782 0.00827523 1 213 63.546 0.314565 -3.52831 63.546000 Cu 0.177261 0.0300976 0.5 215 63.546 0.0935066 -3.52514 63.546000 Cu 0.237398 0.0519059 1.25193e-16 227 63.546 0.0806427 -3.52184 63.546000 Cu 0.256226 0.0180328 5.98439e-17 214 63.546 0.523378 -3.47302 63.546000 Cu 0.33811 0.00376253 0.5 216 63.546 0.491786 -3.50066 63.546000 Cu 0.317834 0.0375941 0.5 229 63.546 0.131906 -3.52315 63.546000 Cu 0.399246 0.0218863 1 231 63.546 0.0271725 -3.53248 63.546000 Cu 0.480245 0.00522845 0.5 233 63.546 0.0529182 -3.52623 63.546000 Cu 0.45967 0.0406024 0.5 234 63.546 0.0157418 -3.53809 63.546000 Cu 0.54005 0.0242621 4.78751e-19 232 63.546 0.0902455 -3.53672 63.546000 Cu 0.619782 0.00827523 0.5 235 63.546 0.314565 -3.52831 63.546000 Cu 0.599053 0.044645 0.5 255 63.546 0.0708971 -3.54378 63.546000 Cu 0.677261 0.0300976 0 257 63.546 0.0935066 -3.52514 63.546000 Cu 0.737398 0.0519059 0.5 260 63.546 0.0806427 -3.52184 63.546000 Cu 0.756226 0.0180328 0.5 259 63.546 0.523378 -3.47302 63.546000 Cu 0.83811 0.00376253 3.35126e-17 203 63.546 0.491786 -3.50066 63.546000 Cu 0.980245 0.00522845 0 204 63.546 0.0529182 -3.52623 63.546000 Cu 0.899246 0.0218863 0.5 205 63.546 0.0271725 -3.53248 63.546000 Cu 0.95967 0.0406024 0 209 63.546 0.0157418 -3.53809 63.546000 Cu 0.817834 0.0375941 1 258 63.546 0.131906 -3.52315 63.546000 Cu 0.0195424 0.0600961 0.5 212 63.546 0.030384 -3.54276 63.546000 Cu 0.0792965 0.0803377 2.39376e-19 223 63.546 0.0182417 -3.54303 63.546000 Cu 0.218521 0.0864538 6.34345e-17 224 63.546 0.01561 -3.53367 63.546000 Cu 0.158253 0.0656484 0.5 225 63.546 0.0143256 -3.53823 63.546000 Cu 0.139227 0.100873 0.5 226 63.546 0.00305911 -3.53951 63.546000 Cu 0.378976 0.0565748 5.4817e-17 228 63.546 0.0128809 -3.53591 63.546000 Cu 0.298452 0.071892 0.5 230 63.546 0.0377641 -3.5316 63.546000 Cu 0.27938 0.106497 0.5 247 63.546 0.00996788 -3.53585 63.546000 Cu 0.359377 0.091362 4.06939e-18 249 63.546 0.00479496 -3.53773 63.546000 Cu 0.499789 0.0955613 1.31896e-16 250 63.546 0.00915529 -3.54257 63.546000 Cu 0.439542 0.0758218 0.5 251 63.546 0.00553533 -3.54051 63.546000 Cu 0.420082 0.110958 0.5 252 63.546 0.00166721 -3.54086 63.546000 Cu 0.519542 0.0600961 4.3327e-17 253 63.546 0.030384 -3.54276 63.546000 Cu 0.658253 0.0656484 0 254 63.546 0.0143256 -3.53823 63.546000 Cu 0.579297 0.0803377 0.5 256 63.546 0.0182417 -3.54303 63.546000 Cu 0.639227 0.100873 1 281 63.546 0.00305911 -3.53951 63.546000 Cu 0.718521 0.0864538 0.5 283 63.546 0.01561 -3.53367 63.546000 Cu 0.878976 0.0565748 0.5 207 63.546 0.0128809 -3.53591 63.546000 Cu 0.939542 0.0758218 3.30338e-17 206 63.546 0.00553533 -3.54051 63.546000 Cu 0.859377 0.091362 0.5 208 63.546 0.00479496 -3.53773 63.546000 Cu 0.920082 0.110958 5.98439e-18 219 63.546 0.00166721 -3.54086 63.546000 Cu 0.999789 0.0955613 0.5 221 63.546 0.00915529 -3.54257 63.546000 Cu 0.77938 0.106497 6.08014e-17 282 63.546 0.00996788 -3.53585 63.546000 Cu 0.798452 0.071892 0 285 63.546 0.0377641 -3.5316 63.546000 Cu 0.0600809 0.115702 2.39376e-19 220 63.546 0.00484707 -3.54184 63.546000 Cu 0.0413844 0.150918 3.71032e-17 241 63.546 0.00114432 -3.54107 63.546000 Cu 0.181345 0.156188 5.26626e-17 242 63.546 0.000823198 -3.53883 63.546000 Cu 0.12057 0.13599 0.5 243 63.546 0.000703345 -3.53996 63.546000 Cu 0.199781 0.121253 6.70252e-18 245 63.546 0.00339667 -3.53732 63.546000 Cu 0.260799 0.141302 0.5 248 63.546 0.00234537 -3.53814 63.546000 Cu 0.340385 0.126249 7.18127e-19 246 63.546 0.00161532 -3.53897 63.546000 Cu 0.321776 0.161195 1 273 63.546 0.000552507 -3.53945 63.546000 Cu 0.462035 0.165987 1 274 63.546 0.000793406 -3.5409 63.546000 Cu 0.401325 0.146044 0.5 275 63.546 0.000487008 -3.54057 63.546000 Cu 0.480734 0.130829 6.17589e-17 277 63.546 0.00252952 -3.54169 63.546000 Cu 0.62057 0.13599 0 278 63.546 0.000703345 -3.53996 63.546000 Cu 0.560081 0.115702 0.5 279 63.546 0.00484707 -3.54184 63.546000 Cu 0.541384 0.150918 0.5 280 63.546 0.00114432 -3.54107 63.546000 Cu 0.699781 0.121253 0.5 284 63.546 0.00339667 -3.53732 63.546000 Cu 0.681345 0.156188 0.5 307 63.546 0.000823198 -3.53883 63.546000 Cu 0.760799 0.141302 0 309 63.546 0.00234537 -3.53814 63.546000 Cu 0.901325 0.146044 1 217 63.546 0.000487008 -3.54057 63.546000 Cu 0.840385 0.126249 0.5 218 63.546 0.00161532 -3.53897 63.546000 Cu 0.980734 0.130829 0.5 222 63.546 0.00252952 -3.54169 63.546000 Cu 0.962035 0.165987 0.5 239 63.546 0.000793406 -3.5409 63.546000 Cu 0.821776 0.161195 0.5 310 63.546 0.000552507 -3.53945 63.546000 Cu 0.0224582 0.186044 1 238 63.546 0.000293525 -3.54058 63.546000 Cu 0.101992 0.171067 0.5 244 63.546 0.000352964 -3.54007 63.546000 Cu 0.082773 0.20611 0.5 267 63.546 0.000106094 -3.5401 63.546000 Cu 0.1625 0.191149 4.78751e-19 269 63.546 0.000244043 -3.53922 63.546000 Cu 0.242184 0.17621 0.5 271 63.546 0.000630259 -3.53874 63.546000 Cu 0.222938 0.211138 0.5 272 63.546 1.29445e-05 -3.53912 63.546000 Cu 0.00305431 0.22113 1 265 63.546 2.05315e-05 -3.54047 63.546000 Cu 0.302738 0.19616 4.78751e-19 270 63.546 0.000183414 -3.53945 63.546000 Cu 0.382501 0.181105 0.5 276 63.546 0.000394442 -3.54024 63.546000 Cu 0.363099 0.216147 0.5 299 63.546 8.4449e-05 -3.54005 63.546000 Cu 0.442839 0.201091 0 301 63.546 0.000130173 -3.54045 63.546000 Cu 0.503054 0.22113 0.5 304 63.546 2.05315e-05 -3.54047 63.546000 Cu 0.582773 0.20611 2.17114e-16 302 63.546 0.000106094 -3.5401 63.546000 Cu 0.522458 0.186044 0.5 303 63.546 0.000293525 -3.54058 63.546000 Cu 0.601992 0.171067 1 305 63.546 0.000352964 -3.54007 63.546000 Cu 0.742184 0.17621 0 306 63.546 0.000630259 -3.53874 63.546000 Cu 0.6625 0.191149 0.5 308 63.546 0.000244043 -3.53922 63.546000 Cu 0.722938 0.211138 0 333 63.546 1.29445e-05 -3.53912 63.546000 Cu 0.863099 0.216147 0 236 63.546 8.4449e-05 -3.54005 63.546000 Cu 0.882501 0.181105 1.22321e-16 237 63.546 0.000394442 -3.54024 63.546000 Cu 0.942839 0.201091 0.5 240 63.546 0.000130173 -3.54045 63.546000 Cu 0.802738 0.19616 0.5 334 63.546 0.000183414 -3.53945 63.546000 Cu 0.143146 0.226118 3.66245e-17 266 63.546 4.64549e-05 -3.53953 63.546000 Cu 0.0633474 0.241144 0.5 268 63.546 0.000172857 -3.54003 63.546000 Cu 0.0442287 0.276163 0.5 291 63.546 0.000205028 -3.54015 63.546000 Cu 0.123868 0.261081 1 293 63.546 0.000290645 -3.5394 63.546000 Cu 0.203558 0.246092 0.5 295 63.546 0.000201079 -3.5391 63.546000 Cu 0.264105 0.266108 1.40035e-16 294 63.546 0.000248317 -3.53919 63.546000 Cu 0.283343 0.231137 2.39376e-19 297 63.546 5.40882e-05 -3.53941 63.546000 Cu 0.423354 0.236167 1 298 63.546 6.1373e-05 -3.5405 63.546000 Cu 0.343645 0.251172 0.5 300 63.546 0.000220515 -3.5401 63.546000 Cu 0.404163 0.271255 4.78751e-19 325 63.546 0.000444023 -3.54096 63.546000 Cu 0.483689 0.256204 0.5 327 63.546 0.00028703 -3.54062 63.546000 Cu 0.544229 0.276163 0 326 63.546 0.000205028 -3.54015 63.546000 Cu 0.563347 0.241144 0 329 63.546 0.000172857 -3.54003 63.546000 Cu 0.703558 0.246092 1 330 63.546 0.000201079 -3.5391 63.546000 Cu 0.643146 0.226118 0.5 331 63.546 4.64549e-05 -3.53953 63.546000 Cu 0.623868 0.261081 0.5 332 63.546 0.000290645 -3.5394 63.546000 Cu 0.764105 0.266108 0.5 359 63.546 0.000248317 -3.53919 63.546000 Cu 0.843645 0.251172 8.83296e-17 261 63.546 0.000220515 -3.5401 63.546000 Cu 0.983689 0.256204 1 262 63.546 0.00028703 -3.54062 63.546000 Cu 0.923354 0.236167 0.5 263 63.546 6.1373e-05 -3.5405 63.546000 Cu 0.904163 0.271255 0.5 264 63.546 0.000444023 -3.54096 63.546000 Cu 0.783343 0.231137 0.5 335 63.546 5.40882e-05 -3.53941 63.546000 Cu 0.104997 0.296038 1 290 63.546 0.000669424 -3.53932 63.546000 Cu 0.0253539 0.311197 0.5 292 63.546 0.000425261 -3.54044 63.546000 Cu 0.184585 0.281025 0.5 296 63.546 0.000794939 -3.5388 63.546000 Cu 0.0861103 0.330952 3.71032e-17 317 63.546 0.00216464 -3.53869 63.546000 Cu 0.165846 0.315918 0.5 319 63.546 0.00296241 -3.53793 63.546000 Cu 0.245343 0.301065 0 321 63.546 0.000829562 -3.53871 63.546000 Cu 0.385279 0.306379 1 322 63.546 0.00181869 -3.54123 63.546000 Cu 0.324702 0.286214 0.5 323 63.546 0.000251036 -3.54014 63.546000 Cu 0.306017 0.321277 0.5 324 63.546 0.000906462 -3.54 63.546000 Cu 0.464712 0.291297 0.5 328 63.546 0.000893976 -3.54105 63.546000 Cu 0.445758 0.326437 0.5 351 63.546 0.00315929 -3.54167 63.546000 Cu 0.525354 0.311197 1 353 63.546 0.000425261 -3.54044 63.546000 Cu 0.665846 0.315918 0 354 63.546 0.00296241 -3.53793 63.546000 Cu 0.604997 0.296038 0.5 355 63.546 0.000669424 -3.53932 63.546000 Cu 0.58611 0.330952 0.5 356 63.546 0.00216464 -3.53869 63.546000 Cu 0.684585 0.281025 1.21842e-16 357 63.546 0.000794939 -3.5388 63.546000 Cu 0.745343 0.301065 0.5 360 63.546 0.000829562 -3.53871 63.546000 Cu 0.945758 0.326437 1 286 63.546 0.00315929 -3.54167 63.546000 Cu 0.885279 0.306379 0.5 287 63.546 0.00181869 -3.54123 63.546000 Cu 0.964712 0.291297 6.46314e-18 289 63.546 0.000893976 -3.54105 63.546000 Cu 0.824702 0.286214 1 358 63.546 0.000251036 -3.54014 63.546000 Cu 0.806017 0.321277 1 383 63.546 0.000906462 -3.54 63.546000 Cu 0.066893 0.365799 1.915e-18 314 63.546 0.005786 -3.53768 63.546000 Cu 0.226656 0.335974 1 318 63.546 0.00357199 -3.53732 63.546000 Cu 0.146933 0.350683 0.5 320 63.546 0.0114718 -3.53569 63.546000 Cu 0.127851 0.385254 0.5 343 63.546 0.0410617 -3.5314 63.546000 Cu 0.207798 0.37074 2.39376e-19 345 63.546 0.0164016 -3.53351 63.546000 Cu 0.00625446 0.346249 0.5 315 63.546 0.00143724 -3.5407 63.546000 Cu 0.346977 0.376911 6.36739e-17 346 63.546 0.0211242 -3.54319 63.546000 Cu 0.287086 0.356375 0.5 347 63.546 0.00338778 -3.53956 63.546000 Cu 0.366293 0.341577 6.65464e-17 349 63.546 0.00639966 -3.54185 63.546000 Cu 0.426441 0.36168 0.5 352 63.546 0.0104431 -3.54251 63.546000 Cu 0.486759 0.381348 7.18127e-19 375 63.546 0.00485066 -3.54042 63.546000 Cu 0.506254 0.346249 1 350 63.546 0.00143724 -3.5407 63.546000 Cu 0.627851 0.385254 1 376 63.546 0.0410617 -3.5314 63.546000 Cu 0.566893 0.365799 0.5 377 63.546 0.005786 -3.53768 63.546000 Cu 0.646933 0.350683 1 379 63.546 0.0114718 -3.53569 63.546000 Cu 0.726656 0.335974 0.5 381 63.546 0.00357199 -3.53732 63.546000 Cu 0.707798 0.37074 0.5 382 63.546 0.0164016 -3.53351 63.546000 Cu 0.866293 0.341577 0.5 288 63.546 0.00639966 -3.54185 63.546000 Cu 0.846977 0.376911 0.5 312 63.546 0.0211242 -3.54319 63.546000 Cu 0.926441 0.36168 0 313 63.546 0.0104431 -3.54251 63.546000 Cu 0.986759 0.381348 0.5 316 63.546 0.00485066 -3.54042 63.546000 Cu 0.787086 0.356375 1 380 63.546 0.00338778 -3.53956 63.546000 Cu 0.0276232 0.435199 1 338 63.546 0.0288745 -3.53332 63.546000 Cu 0.0474103 0.400555 7.18127e-19 341 63.546 0.0140288 -3.53574 63.546000 Cu 0.18906 0.405244 7.18127e-19 342 63.546 0.08468 -3.52034 63.546000 Cu 0.108724 0.419507 0.5 344 63.546 0.1388 -3.52255 63.546000 Cu 0.17065 0.439048 1.55594e-17 367 63.546 0.55785 -3.46688 63.546000 Cu 0.249481 0.427116 0.5 369 63.546 0.105957 -3.52423 63.546000 Cu 0.268078 0.391581 0.5 348 63.546 0.0161709 -3.53809 63.546000 Cu 0.327387 0.412563 4.78751e-19 371 63.546 0.0767948 -3.54413 63.546000 Cu 0.466907 0.416521 4.50026e-17 372 63.546 0.0145883 -3.53819 63.546000 Cu 0.406818 0.397101 0.5 373 63.546 0.0315431 -3.54292 63.546000 Cu 0.386762 0.43289 0.5 374 63.546 0.0908547 -3.53732 63.546000 Cu 0.54741 0.400555 0.5 378 63.546 0.0140288 -3.53574 63.546000 Cu 0.527623 0.435199 0.5 391 63.546 0.0288745 -3.53332 63.546000 Cu 0.608724 0.419507 0 393 63.546 0.1388 -3.52255 63.546000 Cu 0.749481 0.427116 1 394 63.546 0.105957 -3.52423 63.546000 Cu 0.68906 0.405244 0.5 395 63.546 0.08468 -3.52034 63.546000 Cu 0.67065 0.439048 0.5 396 63.546 0.55785 -3.46688 63.546000 Cu 0.768078 0.391581 1.21842e-16 397 63.546 0.0161709 -3.53809 63.546000 Cu 0.906818 0.397101 1 311 63.546 0.0315431 -3.54292 63.546000 Cu 0.886762 0.43289 5.98439e-18 337 63.546 0.0908547 -3.53732 63.546000 Cu 0.966907 0.416521 0.5 339 63.546 0.0145883 -3.53819 63.546000 Cu 0.827387 0.412563 0.5 398 63.546 0.0767948 -3.54413 63.546000 Cu 0.150479 0.471387 2.19029e-16 364 63.546 7.32953 -3.25702 63.546000 Cu 0.0891779 0.453309 0.5 365 63.546 0.517355 -3.50045 63.546000 Cu 0.0789368 0.487363 0.5 366 63.546 3.15406 -3.47734 63.546000 Cu 0.232294 0.46378 0.5 370 63.546 5.30295 -3.43363 63.546000 Cu 0.00957639 0.469975 2.43924e-16 363 63.546 0.181173 -3.53466 63.546000 Cu 0.307218 0.448908 7.63608e-17 368 63.546 0.331185 -3.52996 63.546000 Cu 0.287102 0.487413 1.01974e-16 385 63.546 4.37541 -3.54755 63.546000 Cu 0.435115 0.487401 1.93894e-16 386 63.546 0.329631 -3.53169 63.546000 Cu 0.368116 0.469315 0.5 387 63.546 0.350137 -3.50813 63.546000 Cu 0.446991 0.451864 1 389 63.546 0.0548693 -3.52758 63.546000 Cu 0.509576 0.469975 0.5 392 63.546 0.181173 -3.53466 63.546000 Cu 0.732294 0.46378 1.38838e-17 16 63.546 5.30295 -3.43363 63.546000 Cu 0.650479 0.471387 0.5 34 63.546 7.32953 -3.25702 63.546000 Cu 0.578937 0.487363 0 202 63.546 3.15406 -3.47734 63.546000 Cu 0.589178 0.453309 0 390 63.546 0.517355 -3.50045 63.546000 Cu 0.787102 0.487413 0.5 3 63.546 4.37541 -3.54755 63.546000 Cu 0.807218 0.448908 0.5 5 63.546 0.331185 -3.52996 63.546000 Cu 0.868116 0.469315 4.78751e-19 336 63.546 0.350137 -3.50813 63.546000 Cu 0.946991 0.451864 0.5 340 63.546 0.0548693 -3.52758 63.546000 Cu 0.935115 0.487401 0.5 362 63.546 0.329631 -3.53169 63.546000 Cu 0.233658 0.511164 0.5 384 63.546 5.31279 -3.43726 63.546000 Cu 0.0107189 0.504775 1.22082e-16 1 63.546 0.172036 -3.53324 63.546000 Cu 0.0911615 0.521361 0.5 2 63.546 0.479447 -3.49918 63.546000 Cu 0.0305261 0.539486 1.19688e-18 9 63.546 0.0277083 -3.5314 63.546000 Cu 0.112362 0.555127 0.5 11 63.546 0.126063 -3.52263 63.546000 Cu 0.151943 0.503202 1.61339e-16 32 63.546 7.32385 -3.26523 63.546000 Cu 0.173314 0.535572 1.2256e-16 33 63.546 0.496635 -3.47451 63.546000 Cu 0.449097 0.522899 2.55893e-16 14 63.546 0.0525344 -3.52563 63.546000 Cu 0.309568 0.525907 0 35 63.546 0.314121 -3.5299 63.546000 Cu 0.389798 0.541901 0.5 37 63.546 0.0855844 -3.53659 63.546000 Cu 0.252698 0.547672 0.5 38 63.546 0.0906763 -3.5281 63.546000 Cu 0.369279 0.505522 0.5 388 63.546 0.345262 -3.50669 63.546000 Cu 0.733658 0.511164 1.19688e-18 195 63.546 5.31279 -3.43726 63.546000 Cu 0.651943 0.503202 0.5 4 63.546 7.32385 -3.26523 63.546000 Cu 0.510719 0.504775 0.5 15 63.546 0.172036 -3.53324 63.546000 Cu 0.591162 0.521361 1 17 63.546 0.479447 -3.49918 63.546000 Cu 0.612362 0.555127 1.59903e-16 18 63.546 0.126063 -3.52263 63.546000 Cu 0.673314 0.535572 0.5 19 63.546 0.496635 -3.47451 63.546000 Cu 0.530526 0.539486 0.5 20 63.546 0.0277083 -3.5314 63.546000 Cu 0.889798 0.541901 1.14422e-16 6 63.546 0.0855844 -3.53659 63.546000 Cu 0.949097 0.522899 0.5 7 63.546 0.0525344 -3.52563 63.546000 Cu 0.809568 0.525907 0.5 8 63.546 0.314121 -3.5299 63.546000 Cu 0.752698 0.547672 7.18127e-17 21 63.546 0.0906763 -3.5281 63.546000 Cu 0.869279 0.505522 1.3022e-16 361 63.546 0.345262 -3.50669 63.546000 Cu 0.0521306 0.574105 1 10 63.546 0.0131356 -3.53483 63.546000 Cu 0.133427 0.589354 0.5 13 63.546 0.0362395 -3.5313 63.546000 Cu 0.0736387 0.608811 1 29 63.546 0.00504667 -3.5369 63.546000 Cu 0.193457 0.569404 2.44163e-16 58 63.546 0.0764742 -3.52309 63.546000 Cu 0.214164 0.603872 0 59 63.546 0.0140659 -3.53449 63.546000 Cu 0.331466 0.562204 0 36 63.546 0.0698224 -3.54417 63.546000 Cu 0.470758 0.558191 1 39 63.546 0.0140289 -3.53707 63.546000 Cu 0.411705 0.577622 0.5 42 63.546 0.0294175 -3.54217 63.546000 Cu 0.273262 0.583119 0.5 60 63.546 0.0145847 -3.53929 63.546000 Cu 0.353087 0.597799 0 61 63.546 0.0176622 -3.54336 63.546000 Cu 0.492608 0.593314 6.67858e-17 40 63.546 0.00486767 -3.53946 63.546000 Cu 0.693457 0.569404 0.5 24 63.546 0.0764742 -3.52309 63.546000 Cu 0.552131 0.574105 0.5 41 63.546 0.0131356 -3.53483 63.546000 Cu 0.633427 0.589354 1.23518e-16 43 63.546 0.0362395 -3.5313 63.546000 Cu 0.714164 0.603872 0.5 45 63.546 0.0140659 -3.53449 63.546000 Cu 0.573639 0.608811 0.5 46 63.546 0.00504667 -3.5369 63.546000 Cu 0.992608 0.593314 0.5 27 63.546 0.00486767 -3.53946 63.546000 Cu 0.970758 0.558191 0.5 12 63.546 0.0140289 -3.53707 63.546000 Cu 0.773262 0.583119 1.20406e-16 22 63.546 0.0145847 -3.53929 63.546000 Cu 0.831466 0.562204 0.5 23 63.546 0.0698224 -3.54417 63.546000 Cu 0.911705 0.577622 1 25 63.546 0.0294175 -3.54217 63.546000 Cu 0.853087 0.597799 0.5 28 63.546 0.0176622 -3.54336 63.546000 Cu 0.0948208 0.643611 2.84857e-17 30 63.546 0.00158206 -3.53852 63.546000 Cu 0.014123 0.628359 0.5 31 63.546 0.00159027 -3.5401 63.546000 Cu 0.0352252 0.663371 0.5 53 63.546 0.000464539 -3.54013 63.546000 Cu 0.154539 0.623894 0.5 82 63.546 0.00989558 -3.5359 63.546000 Cu 0.175429 0.658636 0.5 86 63.546 0.00255599 -3.53795 63.546000 Cu 0.235086 0.638612 1.915e-18 83 63.546 0.00308265 -3.53793 63.546000 Cu 0.374493 0.633083 1 62 63.546 0.00468721 -3.54188 63.546000 Cu 0.433461 0.612994 0.5 63 63.546 0.00892087 -3.54202 63.546000 Cu 0.294364 0.618264 0.5 64 63.546 0.00314811 -3.54037 63.546000 Cu 0.454786 0.648187 0.5 68 63.546 0.00231687 -3.54127 63.546000 Cu 0.315289 0.653314 0.5 85 63.546 0.000779271 -3.54033 63.546000 Cu 0.654539 0.623894 1 44 63.546 0.00989558 -3.5359 63.546000 Cu 0.514123 0.628359 0 65 63.546 0.00159027 -3.5401 63.546000 Cu 0.535225 0.663371 2.46557e-17 66 63.546 0.000464539 -3.54013 63.546000 Cu 0.594821 0.643611 0.5 67 63.546 0.00158206 -3.53852 63.546000 Cu 0.675429 0.658636 2.34588e-17 69 63.546 0.00255599 -3.53795 63.546000 Cu 0.735086 0.638612 0.5 50 63.546 0.00308265 -3.53793 63.546000 Cu 0.933461 0.612994 1 26 63.546 0.00892087 -3.54202 63.546000 Cu 0.794364 0.618264 2.75282e-17 47 63.546 0.00314811 -3.54037 63.546000 Cu 0.815289 0.653314 6.22377e-18 48 63.546 0.000779271 -3.54033 63.546000 Cu 0.874493 0.633083 0.5 49 63.546 0.00468721 -3.54188 63.546000 Cu 0.954786 0.648187 7.18127e-19 51 63.546 0.00231687 -3.54127 63.546000 Cu 0.115758 0.678491 5.55351e-17 55 63.546 0.000546047 -3.53914 63.546000 Cu 0.136261 0.713415 1.15618e-16 56 63.546 0.000151777 -3.53932 63.546000 Cu 0.0560455 0.698379 0.5 57 63.546 0.000209666 -3.54007 63.546000 Cu 0.196143 0.693481 0.5 108 63.546 0.000494129 -3.5387 63.546000 Cu 0.255853 0.67348 1.21363e-16 84 63.546 0.00076997 -3.53886 63.546000 Cu 0.395503 0.668224 1 87 63.546 0.00118502 -3.54103 63.546000 Cu 0.416264 0.703308 1.22082e-16 88 63.546 0.000282134 -3.54092 63.546000 Cu 0.475795 0.683278 0.5 89 63.546 0.000674051 -3.54074 63.546000 Cu 0.336094 0.688342 0.5 90 63.546 0.000303258 -3.54032 63.546000 Cu 0.276375 0.708398 6.60677e-17 109 63.546 0.000170974 -3.53947 63.546000 Cu 0.49639 0.718353 0.5 94 63.546 0.000111575 -3.54065 63.546000 Cu 0.696143 0.693481 1.57509e-16 70 63.546 0.000494129 -3.5387 63.546000 Cu 0.615758 0.678491 0.5 72 63.546 0.000546047 -3.53914 63.546000 Cu 0.556046 0.698379 3.63851e-17 91 63.546 0.000209666 -3.54007 63.546000 Cu 0.636261 0.713415 0.5 93 63.546 0.000151777 -3.53932 63.546000 Cu 0.99639 0.718353 0 77 63.546 0.000111575 -3.54065 63.546000 Cu 0.975795 0.683278 1 52 63.546 0.000674051 -3.54074 63.546000 Cu 0.895503 0.668224 0.5 54 63.546 0.00118502 -3.54103 63.546000 Cu 0.755853 0.67348 0.5 71 63.546 0.00076997 -3.53886 63.546000 Cu 0.836094 0.688342 2.39376e-19 73 63.546 0.000303258 -3.54032 63.546000 Cu 0.916264 0.703308 0.5 75 63.546 0.000282134 -3.54092 63.546000 Cu 0.776375 0.708398 0.5 76 63.546 0.000170974 -3.53947 63.546000 Cu 0.0166668 0.75343 1 78 63.546 0.000134021 -3.54087 63.546000 Cu 0.0764867 0.733392 0.5 79 63.546 0.000141703 -3.54008 63.546000 Cu 0.096631 0.768414 0.5 81 63.546 0.00023907 -3.54041 63.546000 Cu 0.216521 0.728377 0.5 112 63.546 3.39067e-05 -3.53905 63.546000 Cu 0.156566 0.748357 1 132 63.546 0.000138825 -3.53931 63.546000 Cu 0.236662 0.763285 0.5 134 63.546 0.000390152 -3.53871 63.546000 Cu 0.296677 0.743348 1.47934e-16 110 63.546 0.000103836 -3.53939 63.546000 Cu 0.356564 0.723367 0.5 111 63.546 0.000159196 -3.54038 63.546000 Cu 0.436655 0.738391 2.39376e-19 113 63.546 7.49873e-05 -3.54077 63.546000 Cu 0.456809 0.773469 1.29263e-17 114 63.546 0.000481552 -3.54098 63.546000 Cu 0.376798 0.758381 0.5 116 63.546 0.000184109 -3.54007 63.546000 Cu 0.576487 0.733392 1.22321e-16 92 63.546 0.000141703 -3.54008 63.546000 Cu 0.716521 0.728377 1 95 63.546 3.39067e-05 -3.53905 63.546000 Cu 0.656566 0.748357 0.5 98 63.546 0.000138825 -3.53931 63.546000 Cu 0.516667 0.75343 0.5 115 63.546 0.000134021 -3.54087 63.546000 Cu 0.596631 0.768414 7.30096e-17 117 63.546 0.00023907 -3.54041 63.546000 Cu 0.736662 0.763285 0 96 63.546 0.000390152 -3.53871 63.546000 Cu 0.856564 0.723367 1 74 63.546 0.000159196 -3.54038 63.546000 Cu 0.936655 0.738391 0.5 80 63.546 7.49873e-05 -3.54077 63.546000 Cu 0.796677 0.743348 0.5 97 63.546 0.000103836 -3.53939 63.546000 Cu 0.876798 0.758381 2.01076e-17 99 63.546 0.000184109 -3.54007 63.546000 Cu 0.956809 0.773469 0.5 101 63.546 0.000481552 -3.54098 63.546000 Cu 0.0367375 0.788545 3.7582e-17 103 63.546 0.00126273 -3.54142 63.546000 Cu 0.0571385 0.823721 3.78213e-17 104 63.546 0.00488915 -3.5418 63.546000 Cu 0.116629 0.803452 0.5 105 63.546 0.000915898 -3.54015 63.546000 Cu 0.176596 0.783287 0 133 63.546 0.000669434 -3.53879 63.546000 Cu 0.196614 0.818161 1.4171e-16 158 63.546 0.00365134 -3.53766 63.546000 Cu 0.316786 0.778279 1.21603e-16 135 63.546 0.000425189 -3.53916 63.546000 Cu 0.336932 0.813189 9.86228e-17 136 63.546 0.00153471 -3.53877 63.546000 Cu 0.396905 0.793401 0.5 137 63.546 0.000518668 -3.54045 63.546000 Cu 0.256587 0.798142 0.5 138 63.546 0.00258863 -3.53791 63.546000 Cu 0.477042 0.808612 1 139 63.546 0.00261738 -3.54149 63.546000 Cu 0.417448 0.828465 0.5 142 63.546 0.00164061 -3.54027 63.546000 Cu 0.276966 0.832924 0.5 160 63.546 0.00943108 -3.53609 63.546000 Cu 0.616629 0.803452 2.39376e-19 118 63.546 0.000915898 -3.54015 63.546000 Cu 0.676596 0.783287 0.5 119 63.546 0.000669434 -3.53879 63.546000 Cu 0.536738 0.788545 0.5 120 63.546 0.00126273 -3.54142 63.546000 Cu 0.696614 0.818161 0.5 124 63.546 0.00365134 -3.53766 63.546000 Cu 0.557139 0.823721 0.5 141 63.546 0.00488915 -3.5418 63.546000 Cu 0.896905 0.793401 8.78509e-17 100 63.546 0.000518668 -3.54045 63.546000 Cu 0.816786 0.778279 0.5 102 63.546 0.000425189 -3.53916 63.546000 Cu 0.977042 0.808612 0.5 106 63.546 0.00261738 -3.54149 63.546000 Cu 0.756587 0.798142 1 121 63.546 0.00258863 -3.53791 63.546000 Cu 0.836932 0.813189 0.5 123 63.546 0.00153471 -3.53877 63.546000 Cu 0.917448 0.828465 1 125 63.546 0.00164061 -3.54027 63.546000 Cu 0.776966 0.832924 1 122 63.546 0.00943108 -3.53609 63.546000 Cu 0.137073 0.838532 0.5 107 63.546 0.00263399 -3.54017 63.546000 Cu 0.0779612 0.859044 4.78751e-19 129 63.546 0.0177393 -3.54303 63.546000 Cu 0.0190373 0.879242 0.5 131 63.546 0.0283433 -3.54187 63.546000 Cu 0.216971 0.852952 1 159 63.546 0.015189 -3.53482 63.546000 Cu 0.157585 0.873739 0.5 180 63.546 0.0139346 -3.53934 63.546000 Cu 0.237265 0.887503 3.32732e-17 181 63.546 0.0763953 -3.52296 63.546000 Cu 0.357614 0.848038 1 161 63.546 0.00459451 -3.53734 63.546000 Cu 0.378599 0.882792 2.10651e-17 162 63.546 0.0127092 -3.53499 63.546000 Cu 0.43839 0.863548 0.5 163 63.546 0.00478631 -3.53957 63.546000 Cu 0.297514 0.867522 0.5 164 63.546 0.0350674 -3.53166 63.546000 Cu 0.497874 0.843842 6.84614e-17 140 63.546 0.00924444 -3.542 63.546000 Cu 0.637073 0.838532 2.39376e-19 143 63.546 0.00263399 -3.54017 63.546000 Cu 0.657585 0.873739 0 144 63.546 0.0139346 -3.53934 63.546000 Cu 0.716971 0.852952 0.5 145 63.546 0.015189 -3.53482 63.546000 Cu 0.577961 0.859044 0.5 146 63.546 0.0177393 -3.54303 63.546000 Cu 0.519037 0.879242 1 165 63.546 0.0283433 -3.54187 63.546000 Cu 0.737265 0.887503 0.5 150 63.546 0.0763953 -3.52296 63.546000 Cu 0.997874 0.843842 0.5 127 63.546 0.00924444 -3.542 63.546000 Cu 0.93839 0.863548 1 126 63.546 0.00478631 -3.53957 63.546000 Cu 0.857614 0.848038 0.5 128 63.546 0.00459451 -3.53734 63.546000 Cu 0.797514 0.867522 1.22321e-16 147 63.546 0.0350674 -3.53166 63.546000 Cu 0.878599 0.882792 0.5 149 63.546 0.0127092 -3.53499 63.546000 Cu 0.0991642 0.894691 0 130 63.546 0.0687545 -3.54392 63.546000 Cu 0.0405202 0.915032 0.5 153 63.546 0.0852551 -3.53632 63.546000 Cu 0.1204 0.931063 1 155 63.546 0.315864 -3.52873 63.546000 Cu 0.1777 0.909292 0.5 184 63.546 0.0975033 -3.52603 63.546000 Cu 0.459799 0.898713 0.5 168 63.546 0.0142608 -3.53746 63.546000 Cu 0.256749 0.921373 2.27407e-17 182 63.546 0.51813 -3.47233 63.546000 Cu 0.318123 0.901793 0.5 183 63.546 0.127992 -3.52295 63.546000 Cu 0.399695 0.917468 0 185 63.546 0.027745 -3.53281 63.546000 Cu 0.480761 0.934062 0.5 187 63.546 0.0562195 -3.52681 63.546000 Cu 0.338646 0.935625 0.5 188 63.546 0.493836 -3.50107 63.546000 Cu 0.54052 0.915032 1.26869e-16 166 63.546 0.0852551 -3.53632 63.546000 Cu 0.599164 0.894691 0.5 167 63.546 0.0687545 -3.54392 63.546000 Cu 0.6777 0.909292 0 169 63.546 0.0975033 -3.52603 63.546000 Cu 0.6204 0.931063 0.5 172 63.546 0.315864 -3.52873 63.546000 Cu 0.818123 0.901793 0 148 63.546 0.127992 -3.52295 63.546000 Cu 0.959799 0.898713 1 151 63.546 0.0142608 -3.53746 63.546000 Cu 0.980761 0.934062 0 152 63.546 0.0562195 -3.52681 63.546000 Cu 0.899695 0.917468 0.5 154 63.546 0.027745 -3.53281 63.546000 Cu 0.756749 0.921373 0.5 171 63.546 0.51813 -3.47233 63.546000 Cu 0.838646 0.935625 2.39376e-19 173 63.546 0.493836 -3.50107 63.546000 Cu 0.141445 0.969684 0 156 63.546 4.3895 -3.54428 63.546000 Cu 0.0599792 0.9515 0.5 157 63.546 0.345946 -3.50642 63.546000 Cu 0.0596602 0.987783 0.5 178 63.546 0.354266 -3.50639 63.546000 Cu 0.195727 0.945964 0.5 196 63.546 5.31215 -3.43441 63.546000 Cu 0.195313 0.993502 0.5 200 63.546 5.3516 -3.43434 63.546000 Cu 0.418549 0.952245 2.39376e-19 186 63.546 0.180459 -3.53456 63.546000 Cu 0.277539 0.953784 1 197 63.546 7.38427 -3.26137 63.546000 Cu 0.277104 0.985599 1 198 63.546 7.32939 -3.26385 63.546000 Cu 0.349627 0.969696 0.5 199 63.546 3.22032 -3.47717 63.546000 Cu 0.418197 0.987098 1 201 63.546 0.170622 -3.53372 63.546000 Cu 0.493474 0.969642 0.5 192 63.546 0.334483 -3.53131 63.546000 Cu 0.695727 0.945964 0 170 63.546 5.31215 -3.43441 63.546000 Cu 0.559979 0.9515 6.70252e-18 189 63.546 0.345946 -3.50642 63.546000 Cu 0.55966 0.987783 1 190 63.546 0.354266 -3.50639 63.546000 Cu 0.641445 0.969684 0.5 191 63.546 4.3895 -3.54428 63.546000 Cu 0.695313 0.993502 1 193 63.546 5.3516 -3.43434 63.546000 Cu 0.993474 0.969642 1 177 63.546 0.334483 -3.53131 63.546000 Cu 0.849627 0.969696 0 174 63.546 3.22032 -3.47717 63.546000 Cu 0.918549 0.952245 0.5 175 63.546 0.180459 -3.53456 63.546000 Cu 0.777539 0.953784 0.5 176 63.546 7.38427 -3.26137 63.546000 Cu 0.918197 0.987098 0.5 179 63.546 0.170622 -3.53372 63.546000 Cu 0.777104 0.985599 0.5 194 63.546 7.32939 -3.26385