Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.3997 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 73.5087 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61546 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 0.0806831 0.0456897 2.99879e-20 225 63.546 0.739095 -3.43156 63.546000 Cu 0.0515912 0.0147455 0.5 226 63.546 8.11168 -3.47551 63.546000 Cu 0.152322 0.0145631 1.89524e-17 228 63.546 2.10063 -3.52467 63.546000 Cu 0.167347 0.040662 0.5 231 63.546 0.484925 -3.47739 63.546000 Cu 0.261969 0.0388737 1.89524e-17 229 63.546 0.584467 -3.50457 63.546000 Cu 0.253257 0.014557 0.5 230 63.546 1.0848 -3.51176 63.546000 Cu 0.349236 0.0145585 1 232 63.546 6.76526 -3.23549 63.546000 Cu 0.465895 0.0305497 1.89524e-17 233 63.546 9.19067 -3.29009 63.546000 Cu 0.367761 0.0353769 0.5 235 63.546 3.70838 -3.44821 63.546000 Cu 0.485702 0.0525273 0.5 255 63.546 0.673737 -3.46085 63.546000 Cu 0.652322 0.0145631 1 210 63.546 2.10063 -3.52467 63.546000 Cu 0.551591 0.0147455 0.5 211 63.546 8.11168 -3.47551 63.546000 Cu 0.580683 0.0456897 1.89524e-17 216 63.546 0.739095 -3.43156 63.546000 Cu 0.667347 0.040662 0.5 218 63.546 0.484925 -3.47739 63.546000 Cu 0.753257 0.014557 0.5 213 63.546 1.0848 -3.51176 63.546000 Cu 0.761969 0.0388737 1 220 63.546 0.584467 -3.50457 63.546000 Cu 0.849236 0.0145585 1 212 63.546 6.76526 -3.23549 63.546000 Cu 0.867761 0.0353769 0.5 222 63.546 3.70838 -3.44821 63.546000 Cu 0.965895 0.0305497 8.39663e-19 224 63.546 9.19067 -3.29009 63.546000 Cu 0.985702 0.0525273 0.5 227 63.546 0.673737 -3.46085 63.546000 Cu 0.114605 0.0958136 1.89524e-17 246 63.546 0.00991839 -3.53492 63.546000 Cu 0.0975288 0.0712001 0.5 247 63.546 0.0705007 -3.51806 63.546000 Cu 0.189446 0.0669309 1.89524e-17 249 63.546 0.0946072 -3.50811 63.546000 Cu 0.2102 0.0912373 0.5 252 63.546 0.0187264 -3.53242 63.546000 Cu 0.00162503 0.0759408 1 245 63.546 0.0523255 -3.54465 63.546000 Cu 0.019034 0.100198 0.5 248 63.546 0.00619703 -3.54385 63.546000 Cu 0.305915 0.0862549 4.82506e-17 250 63.546 0.00874895 -3.5389 63.546000 Cu 0.283976 0.0622688 0.5 251 63.546 0.121855 -3.54304 63.546000 Cu 0.38294 0.0579712 4.41123e-17 253 63.546 0.0704917 -3.5255 63.546000 Cu 0.403483 0.0810444 0.5 256 63.546 0.0267662 -3.54757 63.546000 Cu 0.422966 0.105 2.63894e-17 275 63.546 0.00895283 -3.54495 63.546000 Cu 0.501625 0.0759408 1 254 63.546 0.0523255 -3.54465 63.546000 Cu 0.519034 0.100198 0.5 276 63.546 0.00619703 -3.54385 63.546000 Cu 0.689446 0.0669309 1.89524e-17 217 63.546 0.0946072 -3.50811 63.546000 Cu 0.597529 0.0712001 0.5 219 63.546 0.0705007 -3.51806 63.546000 Cu 0.614605 0.0958136 1.89524e-17 237 63.546 0.00991839 -3.53492 63.546000 Cu 0.7102 0.0912373 0.5 239 63.546 0.0187264 -3.53242 63.546000 Cu 0.88294 0.0579712 1 221 63.546 0.0704917 -3.5255 63.546000 Cu 0.783976 0.0622688 0.5 223 63.546 0.121855 -3.54304 63.546000 Cu 0.805915 0.0862549 5.99759e-20 241 63.546 0.00874895 -3.5389 63.546000 Cu 0.903483 0.0810444 0.5 243 63.546 0.0267662 -3.54757 63.546000 Cu 0.922966 0.105 1.22021e-16 242 63.546 0.00895283 -3.54495 63.546000 Cu 0.0375984 0.12457 1.89524e-17 267 63.546 0.00115942 -3.53977 63.546000 Cu 0.152931 0.144013 3.82646e-17 268 63.546 0.000882204 -3.54042 63.546000 Cu 0.133532 0.11996 0.5 269 63.546 0.00337162 -3.53909 63.546000 Cu 0.0568137 0.148787 0.5 270 63.546 0.000767409 -3.53966 63.546000 Cu 0.229911 0.115189 1.89524e-17 271 63.546 0.00250595 -3.53881 63.546000 Cu 0.249405 0.139113 0.5 274 63.546 0.00025857 -3.54132 63.546000 Cu 0.345909 0.134143 1 272 63.546 0.00186864 -3.54173 63.546000 Cu 0.326547 0.110128 0.5 273 63.546 0.00206286 -3.54113 63.546000 Cu 0.441965 0.129259 0.5 277 63.546 0.00150741 -3.5412 63.546000 Cu 0.460912 0.153517 7.40702e-18 296 63.546 0.000116398 -3.54008 63.546000 Cu 0.537598 0.12457 1.89524e-17 236 63.546 0.00115942 -3.53977 63.546000 Cu 0.729911 0.115189 1.89524e-17 238 63.546 0.00250595 -3.53881 63.546000 Cu 0.633532 0.11996 0.5 240 63.546 0.00337162 -3.53909 63.546000 Cu 0.556814 0.148787 0.5 258 63.546 0.000767409 -3.53966 63.546000 Cu 0.652931 0.144013 2.36005e-17 259 63.546 0.000882204 -3.54042 63.546000 Cu 0.749405 0.139113 0.5 261 63.546 0.00025857 -3.54132 63.546000 Cu 0.826547 0.110128 0.5 244 63.546 0.00206286 -3.54113 63.546000 Cu 0.845909 0.134143 3.29867e-19 263 63.546 0.00186864 -3.54173 63.546000 Cu 0.960912 0.153517 1 264 63.546 0.000116398 -3.54008 63.546000 Cu 0.941965 0.129259 0.5 265 63.546 0.00150741 -3.5412 63.546000 Cu 0.0760667 0.172906 1.21991e-16 288 63.546 0.000359925 -3.54026 63.546000 Cu 0.191707 0.192107 1.4994e-19 289 63.546 0.000180903 -3.54099 63.546000 Cu 0.172378 0.16805 0.5 290 63.546 5.26283e-05 -3.54089 63.546000 Cu 0.0953984 0.196985 0.5 291 63.546 5.12785e-05 -3.54078 63.546000 Cu 0.268745 0.163147 6.04257e-17 292 63.546 0.000491675 -3.54148 63.546000 Cu 0.383964 0.182478 1.03009e-16 293 63.546 2.65362e-05 -3.54053 63.546000 Cu 0.36494 0.15829 0.5 294 63.546 0.000546039 -3.54119 63.546000 Cu 0.287914 0.187267 0.5 295 63.546 0.000248875 -3.54094 63.546000 Cu 0.479943 0.177704 0.5 297 63.546 0.000248818 -3.54014 63.546000 Cu 0.403111 0.206647 0.5 316 63.546 0.000103643 -3.54043 63.546000 Cu 0.49919 0.20184 5.84165e-17 318 63.546 0.00021365 -3.54047 63.546000 Cu 0.576067 0.172906 9.86004e-17 257 63.546 0.000359925 -3.54026 63.546000 Cu 0.672378 0.16805 0.5 262 63.546 5.26283e-05 -3.54089 63.546000 Cu 0.595398 0.196985 0.5 279 63.546 5.12785e-05 -3.54078 63.546000 Cu 0.691707 0.192107 5.80867e-17 280 63.546 0.000180903 -3.54099 63.546000 Cu 0.768745 0.163147 6.45341e-17 260 63.546 0.000491675 -3.54148 63.546000 Cu 0.86494 0.15829 0.5 266 63.546 0.000546039 -3.54119 63.546000 Cu 0.787914 0.187267 0.5 282 63.546 0.000248875 -3.54094 63.546000 Cu 0.883964 0.182478 1.21961e-16 284 63.546 2.65362e-05 -3.54053 63.546000 Cu 0.99919 0.20184 1.4994e-19 285 63.546 0.00021365 -3.54047 63.546000 Cu 0.979943 0.177704 0.5 286 63.546 0.000248818 -3.54014 63.546000 Cu 0.903111 0.206647 0.5 287 63.546 0.000103643 -3.54043 63.546000 Cu 0.0380616 0.250047 2.21911e-18 307 63.546 2.54151e-05 -3.54099 63.546000 Cu 0.114825 0.221077 6.29747e-19 310 63.546 5.09511e-05 -3.54088 63.546000 Cu 0.230304 0.24038 1.37855e-16 311 63.546 4.76661e-05 -3.54066 63.546000 Cu 0.210983 0.216226 0.5 312 63.546 0.000151677 -3.54086 63.546000 Cu 0.134234 0.245199 0.5 313 63.546 8.21366e-05 -3.54083 63.546000 Cu 0.0186149 0.225944 0.5 308 63.546 2.02259e-05 -3.54073 63.546000 Cu 0.307051 0.211425 3.51159e-17 314 63.546 4.39127e-05 -3.5406 63.546000 Cu 0.422414 0.230789 1.89524e-17 315 63.546 0.000144964 -3.5406 63.546000 Cu 0.326348 0.235587 0.5 317 63.546 2.57753e-05 -3.54054 63.546000 Cu 0.345715 0.259754 1.21751e-16 336 63.546 9.486e-05 -3.54072 63.546000 Cu 0.441851 0.254909 0.5 338 63.546 3.72949e-05 -3.54093 63.546000 Cu 0.518615 0.225944 0.5 319 63.546 2.02259e-05 -3.54073 63.546000 Cu 0.614825 0.221077 1.03009e-16 278 63.546 5.09511e-05 -3.54088 63.546000 Cu 0.710983 0.216226 0.5 283 63.546 0.000151677 -3.54086 63.546000 Cu 0.538062 0.250047 1.22261e-16 298 63.546 2.54151e-05 -3.54099 63.546000 Cu 0.634234 0.245199 0.5 300 63.546 8.21366e-05 -3.54083 63.546000 Cu 0.730304 0.24038 1.89524e-17 302 63.546 4.76661e-05 -3.54066 63.546000 Cu 0.807051 0.211425 4.24929e-17 281 63.546 4.39127e-05 -3.5406 63.546000 Cu 0.845715 0.259754 1.89524e-17 303 63.546 9.486e-05 -3.54072 63.546000 Cu 0.826348 0.235587 0.5 304 63.546 2.57753e-05 -3.54054 63.546000 Cu 0.922414 0.230789 4.31826e-18 306 63.546 0.000144964 -3.5406 63.546000 Cu 0.941851 0.254909 0.5 309 63.546 3.72949e-05 -3.54093 63.546000 Cu 0.0769575 0.298314 1.22141e-16 329 63.546 9.00496e-05 -3.5406 63.546000 Cu 0.0574886 0.274178 0.5 330 63.546 3.87297e-05 -3.54103 63.546000 Cu 0.153638 0.269346 1.89524e-17 332 63.546 6.31044e-05 -3.54077 63.546000 Cu 0.249693 0.264552 0.5 334 63.546 2.46611e-06 -3.54061 63.546000 Cu 0.173006 0.293506 0.5 335 63.546 1.54106e-05 -3.54057 63.546000 Cu 0.269059 0.288719 7.49399e-17 333 63.546 4.66713e-05 -3.54067 63.546000 Cu 0.461316 0.279041 1.89524e-17 337 63.546 6.18198e-06 -3.5411 63.546000 Cu 0.365171 0.283902 0.5 339 63.546 8.94116e-05 -3.54093 63.546000 Cu 0.288422 0.312869 0.5 355 63.546 0.000121518 -3.54074 63.546000 Cu 0.384597 0.308025 1.2562e-16 357 63.546 5.49785e-05 -3.54084 63.546000 Cu 0.48082 0.30316 0.5 359 63.546 4.57873e-05 -3.54075 63.546000 Cu 0.653638 0.269346 1.89524e-17 299 63.546 6.31044e-05 -3.54077 63.546000 Cu 0.557489 0.274178 0.5 301 63.546 3.87297e-05 -3.54103 63.546000 Cu 0.749693 0.264552 0.5 305 63.546 2.46611e-06 -3.54061 63.546000 Cu 0.576958 0.298314 1.89524e-17 320 63.546 9.00496e-05 -3.5406 63.546000 Cu 0.673006 0.293506 0.5 322 63.546 1.54106e-05 -3.54057 63.546000 Cu 0.769059 0.288719 2.12615e-17 324 63.546 4.66713e-05 -3.54067 63.546000 Cu 0.884597 0.308025 4.83106e-17 325 63.546 5.49785e-05 -3.54084 63.546000 Cu 0.865171 0.283902 0.5 326 63.546 8.94116e-05 -3.54093 63.546000 Cu 0.788422 0.312869 0.5 327 63.546 0.000121518 -3.54074 63.546000 Cu 0.961316 0.279041 2.34806e-17 328 63.546 6.18198e-06 -3.5411 63.546000 Cu 0.98082 0.30316 0.5 331 63.546 4.57873e-05 -3.54075 63.546000 Cu 0.115574 0.346615 1.89524e-17 350 63.546 1.17423e-05 -3.54058 63.546000 Cu 0.096329 0.322457 0.5 351 63.546 6.5934e-05 -3.5404 63.546000 Cu 0.192358 0.317673 8.99638e-20 353 63.546 1.81435e-05 -3.54058 63.546000 Cu 0.211665 0.34183 0.5 356 63.546 0.000150719 -3.54091 63.546000 Cu 0.230958 0.365956 6.08455e-17 375 63.546 0.000346732 -3.54148 63.546000 Cu 0.000229374 0.327259 1.89524e-17 349 63.546 0.000164006 -3.54043 63.546000 Cu 0.019549 0.35139 0.5 352 63.546 0.000169912 -3.54017 63.546000 Cu 0.307812 0.336993 1.14854e-17 354 63.546 0.000122356 -3.54095 63.546000 Cu 0.40401 0.332113 0.5 360 63.546 2.39497e-05 -3.54074 63.546000 Cu 0.327266 0.361084 0.5 377 63.546 6.70786e-05 -3.54107 63.546000 Cu 0.423517 0.356205 9.11334e-17 379 63.546 0.000266529 -3.5404 63.546000 Cu 0.500229 0.327259 5.99759e-20 358 63.546 0.000164006 -3.54043 63.546000 Cu 0.519549 0.35139 0.5 380 63.546 0.000169912 -3.54017 63.546000 Cu 0.692358 0.317673 2.99879e-19 321 63.546 1.81435e-05 -3.54058 63.546000 Cu 0.596329 0.322457 0.5 323 63.546 6.5934e-05 -3.5404 63.546000 Cu 0.615574 0.346615 7.91682e-17 341 63.546 1.17423e-05 -3.54058 63.546000 Cu 0.730958 0.365956 8.1987e-17 342 63.546 0.000346732 -3.54148 63.546000 Cu 0.711665 0.34183 0.5 343 63.546 0.000150719 -3.54091 63.546000 Cu 0.807812 0.336993 2.69892e-19 345 63.546 0.000122356 -3.54095 63.546000 Cu 0.923517 0.356205 1.89524e-17 346 63.546 0.000266529 -3.5404 63.546000 Cu 0.90401 0.332113 0.5 347 63.546 2.39497e-05 -3.54074 63.546000 Cu 0.827266 0.361084 0.5 348 63.546 6.70786e-05 -3.54107 63.546000 Cu 0.0388497 0.375571 2.22511e-17 371 63.546 0.000106046 -3.5399 63.546000 Cu 0.153973 0.394951 1.21991e-16 372 63.546 0.00149156 -3.54166 63.546000 Cu 0.134768 0.370787 0.5 373 63.546 0.000305529 -3.54108 63.546000 Cu 0.0579928 0.399819 0.5 374 63.546 0.000935174 -3.54113 63.546000 Cu 0.173443 0.419011 0.5 394 63.546 0.00227135 -3.54118 63.546000 Cu 0.250347 0.390015 0.5 378 63.546 0.000355827 -3.54135 63.546000 Cu 0.270032 0.413961 2.99879e-20 396 63.546 0.00198516 -3.539 63.546000 Cu 0.346842 0.385121 5.4758e-17 376 63.546 0.000601823 -3.54041 63.546000 Cu 0.442975 0.380327 0.5 381 63.546 0.000680953 -3.53954 63.546000 Cu 0.366393 0.409167 0.5 398 63.546 0.00306927 -3.53925 63.546000 Cu 0.462331 0.404526 1.89524e-17 400 63.546 0.00116194 -3.53973 63.546000 Cu 0.53885 0.375571 7.94381e-17 340 63.546 0.000106046 -3.5399 63.546000 Cu 0.634768 0.370787 0.5 344 63.546 0.000305529 -3.54108 63.546000 Cu 0.557993 0.399819 0.5 362 63.546 0.000935174 -3.54113 63.546000 Cu 0.653973 0.394951 4.7291e-17 363 63.546 0.00149156 -3.54166 63.546000 Cu 0.673443 0.419011 0.5 366 63.546 0.00227135 -3.54118 63.546000 Cu 0.770032 0.413961 1 364 63.546 0.00198516 -3.539 63.546000 Cu 0.750347 0.390015 0.5 365 63.546 0.000355827 -3.54135 63.546000 Cu 0.846842 0.385121 5.35885e-17 367 63.546 0.000601823 -3.54041 63.546000 Cu 0.962331 0.404526 5.57776e-18 368 63.546 0.00116194 -3.53973 63.546000 Cu 0.942975 0.380327 0.5 369 63.546 0.000680953 -3.53954 63.546000 Cu 0.866393 0.409167 0.5 370 63.546 0.00306927 -3.53925 63.546000 Cu 0.0771162 0.424104 1.22051e-16 392 63.546 0.00810232 -3.54505 63.546000 Cu 0.194248 0.442916 2.02719e-17 393 63.546 0.00846893 -3.53888 63.546000 Cu 0.0966858 0.448093 0.5 395 63.546 0.0264949 -3.54767 63.546000 Cu 0.117226 0.471204 3.71251e-17 409 63.546 0.0707403 -3.52606 63.546000 Cu 0.216165 0.46694 0.5 411 63.546 0.120501 -3.54302 63.546000 Cu 0.498643 0.453178 1.89524e-17 3 63.546 0.0498318 -3.54453 63.546000 Cu 0.402756 0.457922 0.5 9 63.546 0.0684446 -3.51801 63.546000 Cu 0.310758 0.462242 1.89524e-17 208 63.546 0.0937 -3.50856 63.546000 Cu 0.385482 0.433319 1.89524e-17 397 63.546 0.00958932 -3.53528 63.546000 Cu 0.289867 0.437941 0.5 399 63.546 0.0164052 -3.5326 63.546000 Cu 0.481065 0.428889 0.5 401 63.546 0.00489856 -3.54398 63.546000 Cu 0.577116 0.424104 6.32446e-17 361 63.546 0.00810232 -3.54505 63.546000 Cu 0.617226 0.471204 1.89524e-17 382 63.546 0.0707403 -3.52606 63.546000 Cu 0.596686 0.448093 0.5 383 63.546 0.0264949 -3.54767 63.546000 Cu 0.694248 0.442916 3.79048e-17 384 63.546 0.00846893 -3.53888 63.546000 Cu 0.716165 0.46694 0.5 387 63.546 0.120501 -3.54302 63.546000 Cu 0.810758 0.462242 1.41543e-17 385 63.546 0.0937 -3.50856 63.546000 Cu 0.789867 0.437941 0.5 386 63.546 0.0164052 -3.5326 63.546000 Cu 0.885482 0.433319 1.26129e-16 388 63.546 0.00958932 -3.53528 63.546000 Cu 0.998643 0.453178 7.98879e-17 389 63.546 0.0498318 -3.54453 63.546000 Cu 0.981065 0.428889 0.5 390 63.546 0.00489856 -3.54398 63.546000 Cu 0.902756 0.457922 0.5 391 63.546 0.0684446 -3.51801 63.546000 Cu 0.151032 0.514622 1 2 63.546 6.77424 -3.23588 63.546000 Cu 0.0341932 0.498665 8.82545e-17 407 63.546 9.2139 -3.29103 63.546000 Cu 0.238252 0.490328 1.89524e-17 410 63.546 0.580769 -3.50397 63.546000 Cu 0.132377 0.493818 0.5 412 63.546 3.72964 -3.44772 63.546000 Cu 0.247015 0.514619 0.5 5 63.546 1.08286 -3.512 63.546000 Cu 0.0145247 0.476621 0.5 408 63.546 0.682766 -3.46116 63.546000 Cu 0.347959 0.514599 1.36745e-17 4 63.546 2.10005 -3.52436 63.546000 Cu 0.448661 0.514532 0.5 6 63.546 8.09767 -3.47454 63.546000 Cu 0.332998 0.488514 0.5 7 63.546 0.502006 -3.47698 63.546000 Cu 0.419558 0.483434 1.4994e-19 204 63.546 0.747009 -3.4294 63.546000 Cu 0.514525 0.476621 0.5 1 63.546 0.682766 -3.46116 63.546000 Cu 0.651032 0.514622 4.19831e-19 10 63.546 6.77424 -3.23588 63.546000 Cu 0.534193 0.498665 1.19952e-19 402 63.546 9.2139 -3.29103 63.546000 Cu 0.632377 0.493818 0.5 403 63.546 3.72964 -3.44772 63.546000 Cu 0.738252 0.490328 1.89524e-17 404 63.546 0.580769 -3.50397 63.546000 Cu 0.747015 0.514619 0.5 12 63.546 1.08286 -3.512 63.546000 Cu 0.847959 0.514599 1 14 63.546 2.10005 -3.52436 63.546000 Cu 0.948661 0.514532 0.5 16 63.546 8.09767 -3.47454 63.546000 Cu 0.832998 0.488514 0.5 405 63.546 0.502006 -3.47698 63.546000 Cu 0.919558 0.483434 1.19952e-19 406 63.546 0.747009 -3.4294 63.546000 Cu 0.0341323 0.530532 2.99879e-20 18 63.546 9.23384 -3.29064 63.546000 Cu 0.117275 0.558003 1.89524e-17 19 63.546 0.0691291 -3.5256 63.546000 Cu 0.132406 0.535436 0.5 20 63.546 3.73342 -3.44747 63.546000 Cu 0.0145221 0.552558 0.5 21 63.546 0.697397 -3.45977 63.546000 Cu 0.216305 0.562324 0.5 25 63.546 0.122693 -3.54324 63.546000 Cu 0.238295 0.538935 6.06356e-17 22 63.546 0.589233 -3.50427 63.546000 Cu 0.31086 0.566997 1.89524e-17 23 63.546 0.0969291 -3.50798 63.546000 Cu 0.332924 0.54071 0.5 24 63.546 0.499286 -3.47581 63.546000 Cu 0.419518 0.545746 7.09215e-17 26 63.546 0.771952 -3.4283 63.546000 Cu 0.402791 0.57125 0.5 27 63.546 0.0707804 -3.51754 63.546000 Cu 0.498718 0.575978 1.34376e-16 28 63.546 0.0521092 -3.54434 63.546000 Cu 0.534132 0.530532 1.89524e-17 8 63.546 9.23384 -3.29064 63.546000 Cu 0.632406 0.535436 0.5 13 63.546 3.73342 -3.44747 63.546000 Cu 0.514522 0.552558 0.5 29 63.546 0.697397 -3.45977 63.546000 Cu 0.617275 0.558003 5.09795e-19 30 63.546 0.0691291 -3.5256 63.546000 Cu 0.716305 0.562324 0.5 32 63.546 0.122693 -3.54324 63.546000 Cu 0.738295 0.538935 1.22081e-16 11 63.546 0.589233 -3.50427 63.546000 Cu 0.998718 0.575978 1.89524e-17 38 63.546 0.0521092 -3.54434 63.546000 Cu 0.919518 0.545746 5.7157e-17 15 63.546 0.771952 -3.4283 63.546000 Cu 0.832924 0.54071 0.5 17 63.546 0.499286 -3.47581 63.546000 Cu 0.81086 0.566997 6.29747e-18 34 63.546 0.0969291 -3.50798 63.546000 Cu 0.902791 0.57125 0.5 36 63.546 0.0707804 -3.51754 63.546000 Cu 0.0774572 0.605029 6.91522e-17 39 63.546 0.00933662 -3.54494 63.546000 Cu 0.0968515 0.581083 0.5 40 63.546 0.0263739 -3.54755 63.546000 Cu 0.194448 0.586304 1.89524e-17 42 63.546 0.00869321 -3.5391 63.546000 Cu 0.173925 0.610165 0.5 45 63.546 0.00179543 -3.54111 63.546000 Cu 0.0585026 0.629282 0.5 60 63.546 0.0016513 -3.54119 63.546000 Cu 0.270566 0.615236 5.2239e-17 43 63.546 0.00260723 -3.53889 63.546000 Cu 0.29021 0.591293 0.5 44 63.546 0.0190815 -3.53237 63.546000 Cu 0.385824 0.595859 1.2535e-17 46 63.546 0.00994098 -3.53482 63.546000 Cu 0.366931 0.620012 0.5 47 63.546 0.00370978 -3.53909 63.546000 Cu 0.462859 0.624606 5.58376e-17 48 63.546 0.00121502 -3.53971 63.546000 Cu 0.481365 0.600235 0.5 49 63.546 0.00633203 -3.54381 63.546000 Cu 0.694448 0.586304 7.01718e-18 31 63.546 0.00869321 -3.5391 63.546000 Cu 0.596851 0.581083 0.5 33 63.546 0.0263739 -3.54755 63.546000 Cu 0.577457 0.605029 1.22981e-16 50 63.546 0.00933662 -3.54494 63.546000 Cu 0.673925 0.610165 0.5 52 63.546 0.00179543 -3.54111 63.546000 Cu 0.558503 0.629282 0.5 53 63.546 0.0016513 -3.54119 63.546000 Cu 0.981365 0.600235 0.5 41 63.546 0.00633203 -3.54381 63.546000 Cu 0.885824 0.595859 5.39483e-17 35 63.546 0.00994098 -3.53482 63.546000 Cu 0.79021 0.591293 0.5 37 63.546 0.0190815 -3.53237 63.546000 Cu 0.770566 0.615236 7.56296e-17 54 63.546 0.00260723 -3.53889 63.546000 Cu 0.866931 0.620012 0.5 56 63.546 0.00370978 -3.53909 63.546000 Cu 0.962859 0.624606 2.43622e-16 58 63.546 0.00121502 -3.53971 63.546000 Cu 0.0395227 0.653533 8.79546e-17 59 63.546 0.000127465 -3.54012 63.546000 Cu 0.15454 0.63417 5.06197e-17 62 63.546 0.00195794 -3.54168 63.546000 Cu 0.135468 0.658304 0.5 65 63.546 0.000632042 -3.54117 63.546000 Cu 0.0204117 0.677722 0.5 80 63.546 0.000224895 -3.5402 63.546000 Cu 0.116407 0.682485 4.79807e-19 82 63.546 3.17958e-05 -3.54061 63.546000 Cu 0.231641 0.663163 2.99879e-20 63 63.546 0.000626255 -3.54156 63.546000 Cu 0.251047 0.639153 0.5 64 63.546 0.000235944 -3.5413 63.546000 Cu 0.34755 0.644054 3.07077e-17 66 63.546 0.00111691 -3.54036 63.546000 Cu 0.424333 0.672936 4.19831e-19 67 63.546 0.000446386 -3.5402 63.546000 Cu 0.443656 0.648817 0.5 68 63.546 0.000827252 -3.53958 63.546000 Cu 0.328044 0.668074 0.5 69 63.546 7.91427e-05 -3.54101 63.546000 Cu 0.65454 0.63417 5.43681e-17 51 63.546 0.00195794 -3.54168 63.546000 Cu 0.539523 0.653533 2.39904e-19 70 63.546 0.000127465 -3.54012 63.546000 Cu 0.616407 0.682485 5.99759e-19 71 63.546 3.17958e-05 -3.54061 63.546000 Cu 0.635468 0.658304 0.5 72 63.546 0.000632042 -3.54117 63.546000 Cu 0.520412 0.677722 0.5 73 63.546 0.000224895 -3.5402 63.546000 Cu 0.731641 0.663163 2.52499e-17 74 63.546 0.000626255 -3.54156 63.546000 Cu 0.84755 0.644054 6.63333e-17 55 63.546 0.00111691 -3.54036 63.546000 Cu 0.751047 0.639153 0.5 57 63.546 0.000235944 -3.5413 63.546000 Cu 0.943656 0.648817 0.5 61 63.546 0.000827252 -3.53958 63.546000 Cu 0.828044 0.668074 0.5 76 63.546 7.91427e-05 -3.54101 63.546000 Cu 0.924333 0.672936 1.21391e-16 78 63.546 0.000446386 -3.5402 63.546000 Cu 0.00118863 0.701848 6.55237e-17 79 63.546 0.00019316 -3.54032 63.546000 Cu 0.193341 0.711424 2.04218e-17 83 63.546 3.54887e-05 -3.54066 63.546000 Cu 0.212456 0.687278 0.5 84 63.546 0.000267524 -3.5411 63.546000 Cu 0.0972694 0.706643 0.5 85 63.546 6.5725e-05 -3.54035 63.546000 Cu 0.0780309 0.730772 9.11034e-17 102 63.546 0.000112857 -3.54049 63.546000 Cu 0.174125 0.735575 0.5 104 63.546 5.30523e-05 -3.54055 63.546000 Cu 0.308675 0.692128 1.86525e-17 86 63.546 0.000153041 -3.54107 63.546000 Cu 0.385617 0.721084 1.22801e-16 87 63.546 4.43671e-05 -3.54087 63.546000 Cu 0.404962 0.697002 0.5 88 63.546 2.82438e-05 -3.54062 63.546000 Cu 0.28945 0.716236 0.5 89 63.546 0.000110979 -3.54087 63.546000 Cu 0.481841 0.725939 0.5 93 63.546 2.37412e-05 -3.54064 63.546000 Cu 0.712456 0.687278 0.5 77 63.546 0.000267524 -3.5411 63.546000 Cu 0.501189 0.701848 4.56417e-17 90 63.546 0.00019316 -3.54032 63.546000 Cu 0.578031 0.730772 4.7381e-17 91 63.546 0.000112857 -3.54049 63.546000 Cu 0.597269 0.706643 0.5 92 63.546 6.5725e-05 -3.54035 63.546000 Cu 0.693341 0.711424 7.19711e-19 94 63.546 3.54887e-05 -3.54066 63.546000 Cu 0.674125 0.735575 0.5 97 63.546 5.30523e-05 -3.54055 63.546000 Cu 0.981841 0.725939 0.5 100 63.546 2.37412e-05 -3.54064 63.546000 Cu 0.808675 0.692128 2.99879e-19 75 63.546 0.000153041 -3.54107 63.546000 Cu 0.904962 0.697002 0.5 81 63.546 2.82438e-05 -3.54062 63.546000 Cu 0.78945 0.716236 0.5 96 63.546 0.000110979 -3.54087 63.546000 Cu 0.885617 0.721084 1.4994e-19 98 63.546 4.43671e-05 -3.54087 63.546000 Cu 0.154741 0.75972 1.22441e-16 103 63.546 5.32414e-05 -3.54066 63.546000 Cu 0.0586156 0.754882 0.5 105 63.546 2.71898e-05 -3.54082 63.546000 Cu 0.0391356 0.779007 7.31706e-18 122 63.546 7.15478e-06 -3.54102 63.546000 Cu 0.135251 0.783856 0.5 124 63.546 2.74489e-05 -3.54086 63.546000 Cu 0.231353 0.788684 2.39904e-19 126 63.546 2.44685e-05 -3.54073 63.546000 Cu 0.270181 0.740376 4.19831e-19 106 63.546 4.23177e-05 -3.54072 63.546000 Cu 0.346872 0.769338 2.492e-17 107 63.546 2.31454e-05 -3.54081 63.546000 Cu 0.366285 0.745202 0.5 108 63.546 4.04292e-05 -3.54088 63.546000 Cu 0.25079 0.76453 0.5 109 63.546 3.24901e-06 -3.54074 63.546000 Cu 0.442992 0.774164 0.5 110 63.546 2.48326e-05 -3.5409 63.546000 Cu 0.462437 0.750037 8.16272e-17 111 63.546 2.42411e-05 -3.5409 63.546000 Cu 0.539136 0.779007 1.4904e-17 112 63.546 7.15478e-06 -3.54102 63.546000 Cu 0.558616 0.754882 0.5 113 63.546 2.71898e-05 -3.54082 63.546000 Cu 0.654741 0.75972 5.99759e-19 114 63.546 5.32414e-05 -3.54066 63.546000 Cu 0.635251 0.783856 0.5 117 63.546 2.74489e-05 -3.54086 63.546000 Cu 0.731353 0.788684 8.87343e-17 115 63.546 2.44685e-05 -3.54073 63.546000 Cu 0.770181 0.740376 5.59575e-17 95 63.546 4.23177e-05 -3.54072 63.546000 Cu 0.962437 0.750037 6.37844e-17 99 63.546 2.42411e-05 -3.5409 63.546000 Cu 0.866285 0.745202 0.5 101 63.546 4.04292e-05 -3.54088 63.546000 Cu 0.75079 0.76453 0.5 116 63.546 3.24901e-06 -3.54074 63.546000 Cu 0.846872 0.769338 7.73689e-17 118 63.546 2.31454e-05 -3.54081 63.546000 Cu 0.942992 0.774164 0.5 120 63.546 2.48326e-05 -3.5409 63.546000 Cu 0.115779 0.807981 0 123 63.546 2.73509e-05 -3.54086 63.546000 Cu 0.0195895 0.803129 0.5 125 63.546 2.5038e-05 -3.54083 63.546000 Cu 0.211932 0.81282 0.5 129 63.546 4.64886e-05 -3.54085 63.546000 Cu 0.000101934 0.827239 1.79928e-19 142 63.546 0.000139923 -3.54047 63.546000 Cu 0.0963026 0.832078 0.5 144 63.546 2.98719e-05 -3.5408 63.546000 Cu 0.192519 0.836955 0 146 63.546 0.000103106 -3.54106 63.546000 Cu 0.308007 0.817638 6.7113e-17 127 63.546 1.87707e-05 -3.54058 63.546000 Cu 0.327426 0.793489 0.5 128 63.546 5.36139e-06 -3.54052 63.546000 Cu 0.423453 0.798295 1.32847e-17 130 63.546 6.42166e-05 -3.54056 63.546000 Cu 0.404007 0.82244 0.5 131 63.546 7.33913e-05 -3.54038 63.546000 Cu 0.288654 0.841801 0.5 148 63.546 0.000143456 -3.54104 63.546000 Cu 0.500102 0.827239 1.89524e-17 132 63.546 0.000139923 -3.54047 63.546000 Cu 0.51959 0.803129 0.5 133 63.546 2.5038e-05 -3.54083 63.546000 Cu 0.615779 0.807981 8.99638e-20 134 63.546 2.73509e-05 -3.54086 63.546000 Cu 0.692519 0.836955 1.08256e-17 135 63.546 0.000103106 -3.54106 63.546000 Cu 0.711932 0.81282 0.5 136 63.546 4.64886e-05 -3.54085 63.546000 Cu 0.596303 0.832078 0.5 137 63.546 2.98719e-05 -3.5408 63.546000 Cu 0.923453 0.798295 8.61554e-17 119 63.546 6.42166e-05 -3.54056 63.546000 Cu 0.827426 0.793489 0.5 121 63.546 5.36139e-06 -3.54052 63.546000 Cu 0.808007 0.817638 1.4994e-19 138 63.546 1.87707e-05 -3.54058 63.546000 Cu 0.904007 0.82244 0.5 140 63.546 7.33913e-05 -3.54038 63.546000 Cu 0.788654 0.841801 0.5 141 63.546 0.000143456 -3.54104 63.546000 Cu 0.0768043 0.85618 6.37244e-17 143 63.546 0.000262138 -3.54032 63.546000 Cu 0.173034 0.861047 0.5 149 63.546 5.58133e-05 -3.54103 63.546000 Cu 0.0573265 0.880304 0.5 164 63.546 0.000795235 -3.53944 63.546000 Cu 0.153469 0.885094 8.99638e-20 166 63.546 0.000697733 -3.54046 63.546000 Cu 0.249985 0.889995 0.5 168 63.546 0.000376027 -3.54137 63.546000 Cu 0.269339 0.86593 2.69892e-19 147 63.546 0.000312894 -3.54158 63.546000 Cu 0.384745 0.846599 1.21511e-16 150 63.546 2.37594e-05 -3.54062 63.546000 Cu 0.365556 0.87078 0.5 151 63.546 0.000376512 -3.54121 63.546000 Cu 0.461476 0.875563 4.93302e-17 152 63.546 0.00013022 -3.53986 63.546000 Cu 0.480761 0.851375 0.5 153 63.546 0.000155212 -3.54009 63.546000 Cu 0.576804 0.85618 4.59115e-17 154 63.546 0.000262138 -3.54032 63.546000 Cu 0.653469 0.885094 1.22171e-16 155 63.546 0.000697733 -3.54046 63.546000 Cu 0.673034 0.861047 0.5 156 63.546 5.58133e-05 -3.54103 63.546000 Cu 0.557327 0.880304 0.5 157 63.546 0.000795235 -3.53944 63.546000 Cu 0.749985 0.889995 0.5 161 63.546 0.000376027 -3.54137 63.546000 Cu 0.980761 0.851375 0.5 145 63.546 0.000155212 -3.54009 63.546000 Cu 0.884745 0.846599 4.79807e-19 139 63.546 2.37594e-05 -3.54062 63.546000 Cu 0.769339 0.86593 0 158 63.546 0.000312894 -3.54158 63.546000 Cu 0.865556 0.87078 0.5 160 63.546 0.000376512 -3.54121 63.546000 Cu 0.961476 0.875563 1 162 63.546 0.00013022 -3.53986 63.546000 Cu 0.0380105 0.904517 1 163 63.546 0.00122476 -3.53969 63.546000 Cu 0.133948 0.909141 0.5 169 63.546 0.00344206 -3.53934 63.546000 Cu 0.0193255 0.928894 0.5 184 63.546 0.00529371 -3.54382 63.546000 Cu 0.114894 0.933298 1 186 63.546 0.00981605 -3.53512 63.546000 Cu 0.210524 0.937908 0.5 188 63.546 0.0172174 -3.53253 63.546000 Cu 0.230349 0.913936 8.99638e-20 167 63.546 0.00217622 -3.53902 63.546000 Cu 0.346365 0.894946 1.25949e-17 170 63.546 0.00156705 -3.5417 63.546000 Cu 0.423282 0.924116 1.21691e-16 171 63.546 0.00891446 -3.54506 63.546000 Cu 0.442375 0.899823 0.5 172 63.546 0.00117568 -3.54119 63.546000 Cu 0.326939 0.919003 0.5 173 63.546 0.00234836 -3.54119 63.546000 Cu 0.30616 0.942903 1 190 63.546 0.00852222 -3.53897 63.546000 Cu 0.53801 0.904517 1.89524e-17 174 63.546 0.00122476 -3.53969 63.546000 Cu 0.614894 0.933298 1.22111e-16 175 63.546 0.00981605 -3.53512 63.546000 Cu 0.633948 0.909141 0.5 176 63.546 0.00344206 -3.53934 63.546000 Cu 0.519326 0.928894 0.5 177 63.546 0.00529371 -3.54382 63.546000 Cu 0.710524 0.937908 0.5 181 63.546 0.0172174 -3.53253 63.546000 Cu 0.730349 0.913936 1.22321e-16 178 63.546 0.00217622 -3.53902 63.546000 Cu 0.846365 0.894946 1.82027e-17 159 63.546 0.00156705 -3.5417 63.546000 Cu 0.942375 0.899823 0.5 165 63.546 0.00117568 -3.54119 63.546000 Cu 0.80616 0.942903 1.21811e-16 179 63.546 0.00852222 -3.53897 63.546000 Cu 0.826939 0.919003 0.5 180 63.546 0.00234836 -3.54119 63.546000 Cu 0.923282 0.924116 4.36025e-17 182 63.546 0.00891446 -3.54506 63.546000 Cu 0.00181181 0.953176 1.89524e-17 183 63.546 0.0501101 -3.5446 63.546000 Cu 0.189631 0.9622 1.89524e-17 187 63.546 0.096141 -3.50805 63.546000 Cu 0.0976588 0.9579 0.5 189 63.546 0.0688967 -3.51775 63.546000 Cu 0.0808063 0.98341 1.89524e-17 205 63.546 0.773901 -3.42664 63.546000 Cu 0.167351 0.988489 0.5 206 63.546 0.516352 -3.4755 63.546000 Cu 0.36801 0.993779 0.5 234 63.546 3.74111 -3.4469 63.546000 Cu 0.466318 0.998672 3.39464e-17 209 63.546 9.26987 -3.29131 63.546000 Cu 0.403735 0.948098 0.5 192 63.546 0.0269394 -3.54775 63.546000 Cu 0.383245 0.9712 3.89843e-19 191 63.546 0.0686772 -3.52592 63.546000 Cu 0.284208 0.966902 0.5 193 63.546 0.122682 -3.54291 63.546000 Cu 0.26205 0.990269 2.66893e-17 207 63.546 0.591321 -3.5031 63.546000 Cu 0.485927 0.976635 0.5 197 63.546 0.70625 -3.45997 63.546000 Cu 0.501812 0.953176 8.99638e-20 194 63.546 0.0501101 -3.5446 63.546000 Cu 0.580806 0.98341 1 195 63.546 0.773901 -3.42664 63.546000 Cu 0.597659 0.9579 0.5 196 63.546 0.0688967 -3.51775 63.546000 Cu 0.689631 0.9622 1.89524e-17 198 63.546 0.096141 -3.50805 63.546000 Cu 0.667351 0.988489 0.5 201 63.546 0.516352 -3.4755 63.546000 Cu 0.966318 0.998672 1 214 63.546 9.26987 -3.29131 63.546000 Cu 0.86801 0.993779 0.5 215 63.546 3.74111 -3.4469 63.546000 Cu 0.903735 0.948098 0.5 185 63.546 0.0269394 -3.54775 63.546000 Cu 0.985927 0.976635 0.5 203 63.546 0.70625 -3.45997 63.546000 Cu 0.76205 0.990269 3.59855e-19 199 63.546 0.591321 -3.5031 63.546000 Cu 0.784208 0.966902 0.5 200 63.546 0.122682 -3.54291 63.546000 Cu 0.883245 0.9712 1 202 63.546 0.0686772 -3.52592