Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.5655 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 74.2304 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.62733 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 0.0992555 0.00491142 5.35626e-17 216 63.546 6.72821 -3.0021 63.546000 Cu 0.00400523 0.00492117 0.5 217 63.546 0.986294 -3.28777 63.546000 Cu 0.0121057 0.0292639 0 226 63.546 0.644757 -3.26267 63.546000 Cu 0.133301 0.0476887 2.39119e-19 227 63.546 0.058883 -3.28285 63.546000 Cu 0.116436 0.0253539 0.5 228 63.546 3.53945 -3.16859 63.546000 Cu 0.0332957 0.0527491 0.5 229 63.546 0.142128 -3.27725 63.546000 Cu 0.216953 0.0205105 2.39119e-19 230 63.546 9.29051 -2.98825 63.546000 Cu 0.331218 0.0352636 7.41267e-18 231 63.546 0.688784 -3.16789 63.546000 Cu 0.307337 0.00487547 0.5 232 63.546 7.07543 -3.11416 63.546000 Cu 0.236486 0.0423267 0.5 233 63.546 0.643414 -3.2084 63.546000 Cu 0.252345 0.0657501 1.17168e-17 251 63.546 0.0934281 -3.28204 63.546000 Cu 0.599256 0.00491142 1 211 63.546 6.72821 -3.0021 63.546000 Cu 0.616436 0.0253539 0.5 213 63.546 3.53945 -3.16859 63.546000 Cu 0.633301 0.0476887 2.39119e-19 218 63.546 0.058883 -3.28285 63.546000 Cu 0.406645 0.00492558 2.39119e-19 234 63.546 1.31703 -3.24825 63.546000 Cu 0.512106 0.0292639 0 235 63.546 0.644757 -3.26267 63.546000 Cu 0.504005 0.00492117 0.5 236 63.546 0.986294 -3.28777 63.546000 Cu 0.416934 0.0310845 0.5 237 63.546 0.54416 -3.21726 63.546000 Cu 0.34737 0.0614337 0.5 253 63.546 0.0737847 -3.27731 63.546000 Cu 0.438614 0.057188 2.51074e-17 255 63.546 0.116885 -3.26624 63.546000 Cu 0.533296 0.0527491 0.5 257 63.546 0.142128 -3.27725 63.546000 Cu 0.716953 0.0205105 2.39119e-19 212 63.546 9.29051 -2.98825 63.546000 Cu 0.906645 0.00492558 5.49973e-17 214 63.546 1.31703 -3.24825 63.546000 Cu 0.807337 0.00487547 0.5 215 63.546 7.07543 -3.11416 63.546000 Cu 0.736486 0.0423267 0.5 220 63.546 0.643414 -3.2084 63.546000 Cu 0.831218 0.0352636 0 222 63.546 0.688784 -3.16789 63.546000 Cu 0.938614 0.057188 1.24342e-17 223 63.546 0.116885 -3.26624 63.546000 Cu 0.916934 0.0310845 0.5 224 63.546 0.54416 -3.21726 63.546000 Cu 0.84737 0.0614337 0.5 225 63.546 0.0737847 -3.27731 63.546000 Cu 0.752345 0.0657501 4.97367e-17 219 63.546 0.0934281 -3.28204 63.546000 Cu 0.0559956 0.0764658 2.39119e-19 247 63.546 0.00832224 -3.27964 63.546000 Cu 0.173437 0.095106 2.19989e-17 248 63.546 0.0184322 -3.28404 63.546000 Cu 0.15394 0.0710129 0.5 249 63.546 0.0386161 -3.28534 63.546000 Cu 0.0770366 0.100291 0.5 250 63.546 0.00660541 -3.28268 63.546000 Cu 0.269138 0.0904455 0.5 254 63.546 0.00744208 -3.28199 63.546000 Cu 0.0964999 0.124374 3.58678e-18 269 63.546 0.0049513 -3.2836 63.546000 Cu 0.192215 0.119533 0.5 271 63.546 0.00211483 -3.28237 63.546000 Cu 0.287526 0.114968 2.39119e-19 273 63.546 0.0045917 -3.28173 63.546000 Cu 0.65394 0.0710129 0.5 221 63.546 0.0386161 -3.28534 63.546000 Cu 0.5965 0.124374 2.39119e-19 238 63.546 0.0049513 -3.2836 63.546000 Cu 0.364512 0.0862917 0 252 63.546 0.0275775 -3.28168 63.546000 Cu 0.555996 0.0764658 1.33906e-17 256 63.546 0.00832224 -3.27964 63.546000 Cu 0.459874 0.0817132 0.5 258 63.546 0.0381125 -3.28133 63.546000 Cu 0.383471 0.110412 0.5 275 63.546 0.00935461 -3.28165 63.546000 Cu 0.48021 0.105545 5.73885e-18 277 63.546 0.00385874 -3.28151 63.546000 Cu 0.577037 0.100291 0.5 278 63.546 0.00660541 -3.28268 63.546000 Cu 0.499978 0.129388 0.5 279 63.546 0.00129948 -3.28349 63.546000 Cu 0.999978 0.129388 0.5 267 63.546 0.00129948 -3.28349 63.546000 Cu 0.673437 0.095106 0 239 63.546 0.0184322 -3.28404 63.546000 Cu 0.787526 0.114968 7.17356e-18 240 63.546 0.0045917 -3.28173 63.546000 Cu 0.769138 0.0904455 0.5 241 63.546 0.00744208 -3.28199 63.546000 Cu 0.692215 0.119533 0.5 242 63.546 0.00211483 -3.28237 63.546000 Cu 0.864512 0.0862917 9.94733e-17 243 63.546 0.0275775 -3.28168 63.546000 Cu 0.98021 0.105545 0 244 63.546 0.00385874 -3.28151 63.546000 Cu 0.959874 0.0817132 0.5 245 63.546 0.0381125 -3.28133 63.546000 Cu 0.883471 0.110412 0.5 246 63.546 0.00935461 -3.28165 63.546000 Cu 0.0193611 0.153415 2.39119e-19 266 63.546 0.0013618 -3.28374 63.546000 Cu 0.211247 0.143899 0 270 63.546 0.000799517 -3.28234 63.546000 Cu 0.115471 0.148596 0.5 272 63.546 0.000787121 -3.28317 63.546000 Cu 0.306977 0.139202 0.5 276 63.546 0.00298023 -3.28221 63.546000 Cu 0.0386315 0.177576 0.5 288 63.546 0.000283918 -3.28327 63.546000 Cu 0.134594 0.172817 2.0086e-17 290 63.546 9.93395e-05 -3.28286 63.546000 Cu 0.249978 0.192166 8.60827e-18 291 63.546 0.000196021 -3.28295 63.546000 Cu 0.230578 0.168084 0.5 292 63.546 0.00079506 -3.2826 63.546000 Cu 0.153839 0.196969 0.5 293 63.546 0.000167865 -3.28283 63.546000 Cu 0.326724 0.163261 3.58678e-18 294 63.546 0.000449008 -3.28273 63.546000 Cu 0.634594 0.172817 4.78237e-18 259 63.546 9.93395e-05 -3.28286 63.546000 Cu 0.615471 0.148596 0.5 260 63.546 0.000787121 -3.28317 63.546000 Cu 0.403225 0.134363 6.62358e-17 274 63.546 0.00121332 -3.2828 63.546000 Cu 0.653839 0.196969 0.5 281 63.546 0.000167865 -3.28283 63.546000 Cu 0.442534 0.182417 0 295 63.546 0.000382296 -3.28338 63.546000 Cu 0.423009 0.158339 0.5 296 63.546 0.000294388 -3.28336 63.546000 Cu 0.34627 0.187301 0.5 297 63.546 8.25832e-05 -3.28319 63.546000 Cu 0.519361 0.153415 2.39119e-19 298 63.546 0.0013618 -3.28374 63.546000 Cu 0.538631 0.177576 0.5 299 63.546 0.000283918 -3.28327 63.546000 Cu 0.711247 0.143899 2.39119e-19 261 63.546 0.000799517 -3.28234 63.546000 Cu 0.826724 0.163261 9.56474e-18 262 63.546 0.000449008 -3.28273 63.546000 Cu 0.806977 0.139202 0.5 263 63.546 0.00298023 -3.28221 63.546000 Cu 0.730578 0.168084 0.5 264 63.546 0.00079506 -3.2826 63.546000 Cu 0.903225 0.134363 0 265 63.546 0.00121332 -3.2828 63.546000 Cu 0.923009 0.158339 0.5 268 63.546 0.000294388 -3.28336 63.546000 Cu 0.749978 0.192166 3.46722e-17 282 63.546 0.000196021 -3.28295 63.546000 Cu 0.84627 0.187301 0.5 284 63.546 8.25832e-05 -3.28319 63.546000 Cu 0.942534 0.182417 1.29124e-17 286 63.546 0.000382296 -3.28338 63.546000 Cu 0.0578237 0.201742 9.80386e-18 287 63.546 2.7582e-05 -3.28294 63.546000 Cu 0.0961573 0.249978 6.93444e-18 309 63.546 2.04239e-05 -3.28296 63.546000 Cu 0.0769922 0.225875 0.5 310 63.546 3.7181e-05 -3.2829 63.546000 Cu 3.4716e-05 0.254779 0.5 311 63.546 1.01994e-07 -3.2829 63.546000 Cu 0.173124 0.221076 2.39119e-19 312 63.546 9.54242e-05 -3.28296 63.546000 Cu 0.288562 0.240314 0 313 63.546 1.07458e-05 -3.28318 63.546000 Cu 0.269341 0.216235 0.5 314 63.546 2.89188e-05 -3.28316 63.546000 Cu 0.192334 0.245159 0.5 315 63.546 2.11092e-05 -3.28308 63.546000 Cu 0.307724 0.2644 0.5 336 63.546 1.90585e-05 -3.2831 63.546000 Cu 0.596157 0.249978 0 300 63.546 2.04239e-05 -3.28296 63.546000 Cu 0.365593 0.211374 0 316 63.546 0.000110133 -3.28326 63.546000 Cu 0.480893 0.230666 2.39119e-19 317 63.546 1.15593e-05 -3.28299 63.546000 Cu 0.461775 0.206537 0.5 318 63.546 0.000138876 -3.28314 63.546000 Cu 0.384765 0.235475 0.5 319 63.546 4.61396e-05 -3.28313 63.546000 Cu 0.557824 0.201742 2.39119e-19 320 63.546 2.7582e-05 -3.28294 63.546000 Cu 0.576992 0.225875 0.5 321 63.546 3.7181e-05 -3.2829 63.546000 Cu 0.403916 0.259579 2.39119e-19 338 63.546 2.6057e-05 -3.28296 63.546000 Cu 0.500035 0.254779 0.5 340 63.546 1.01994e-07 -3.2829 63.546000 Cu 0.673124 0.221076 3.18028e-17 280 63.546 9.54242e-05 -3.28296 63.546000 Cu 0.865593 0.211374 2.39119e-19 283 63.546 0.000110133 -3.28326 63.546000 Cu 0.769341 0.216235 0.5 285 63.546 2.89188e-05 -3.28316 63.546000 Cu 0.961775 0.206537 0.5 289 63.546 0.000138876 -3.28314 63.546000 Cu 0.692334 0.245159 0.5 302 63.546 2.11092e-05 -3.28308 63.546000 Cu 0.788562 0.240314 1.84121e-17 304 63.546 1.07458e-05 -3.28318 63.546000 Cu 0.903916 0.259579 0 305 63.546 2.6057e-05 -3.28296 63.546000 Cu 0.884765 0.235475 0.5 306 63.546 4.61396e-05 -3.28313 63.546000 Cu 0.807724 0.2644 0.5 307 63.546 1.90585e-05 -3.2831 63.546000 Cu 0.980893 0.230666 2.39119e-19 308 63.546 1.15593e-05 -3.28299 63.546000 Cu 0.0191706 0.278892 2.39119e-19 330 63.546 1.28901e-05 -3.28302 63.546000 Cu 0.134467 0.298188 9.0865e-18 331 63.546 0.000127707 -3.28323 63.546000 Cu 0.115296 0.274084 0.5 332 63.546 4.89488e-05 -3.28316 63.546000 Cu 0.038299 0.303025 0.5 333 63.546 0.000137841 -3.28316 63.546000 Cu 0.211501 0.269245 2.39119e-17 334 63.546 1.31871e-05 -3.2832 63.546000 Cu 0.326942 0.288483 9.0865e-18 335 63.546 9.667e-05 -3.28296 63.546000 Cu 0.230729 0.293325 0.5 337 63.546 2.07533e-05 -3.28315 63.546000 Cu 0.0575205 0.327139 2.15207e-18 351 63.546 0.000354254 -3.28335 63.546000 Cu 0.153785 0.322253 0.5 353 63.546 7.21188e-05 -3.28315 63.546000 Cu 0.250062 0.317389 0 355 63.546 0.000206177 -3.28295 63.546000 Cu 0.615296 0.274084 0.5 303 63.546 4.89488e-05 -3.28316 63.546000 Cu 0.634467 0.298188 5.26061e-18 322 63.546 0.000127707 -3.28323 63.546000 Cu 0.653785 0.322253 0.5 325 63.546 7.21188e-05 -3.28315 63.546000 Cu 0.519171 0.278892 2.39119e-19 339 63.546 1.28901e-05 -3.28302 63.546000 Cu 0.423073 0.283682 0.5 341 63.546 4.59102e-05 -3.28292 63.546000 Cu 0.346218 0.312587 0.5 357 63.546 0.000186833 -3.28285 63.546000 Cu 0.442231 0.307819 1.26733e-17 359 63.546 2.62112e-05 -3.28296 63.546000 Cu 0.557521 0.327139 2.2238e-17 360 63.546 0.000354254 -3.28335 63.546000 Cu 0.538299 0.303025 0.5 361 63.546 0.000137841 -3.28316 63.546000 Cu 0.461406 0.331981 0.5 362 63.546 0.000302003 -3.28323 63.546000 Cu 0.711501 0.269245 2.39119e-19 301 63.546 1.31871e-05 -3.2832 63.546000 Cu 0.750062 0.317389 2.77378e-17 323 63.546 0.000206177 -3.28295 63.546000 Cu 0.730729 0.293325 0.5 324 63.546 2.07533e-05 -3.28315 63.546000 Cu 0.826942 0.288483 4.06502e-18 326 63.546 9.667e-05 -3.28296 63.546000 Cu 0.942231 0.307819 3.34766e-17 327 63.546 2.62112e-05 -3.28296 63.546000 Cu 0.923073 0.283682 0.5 328 63.546 4.59102e-05 -3.28292 63.546000 Cu 0.846218 0.312587 0.5 329 63.546 0.000186833 -3.28285 63.546000 Cu 0.961406 0.331981 0.5 349 63.546 0.000302003 -3.28323 63.546000 Cu 0.173324 0.346293 0 352 63.546 0.000443734 -3.28282 63.546000 Cu 0.0769955 0.351212 0.5 354 63.546 0.000287498 -3.28341 63.546000 Cu 0.269459 0.341474 0.5 358 63.546 0.000730062 -3.28262 63.546000 Cu 4.79392e-05 0.380166 0.5 371 63.546 0.00134366 -3.28353 63.546000 Cu 0.0967808 0.375192 0 373 63.546 0.00111211 -3.28281 63.546000 Cu 0.212472 0.394568 2.39119e-19 374 63.546 0.00481345 -3.28168 63.546000 Cu 0.193042 0.370352 0.5 375 63.546 0.00281551 -3.28221 63.546000 Cu 0.116546 0.399128 0.5 376 63.546 0.00958753 -3.28157 63.546000 Cu 0.288795 0.365652 2.39119e-19 377 63.546 0.00080117 -3.28227 63.546000 Cu 0.307793 0.390006 0.5 380 63.546 0.00201695 -3.28236 63.546000 Cu 0.596781 0.375192 2.72595e-17 342 63.546 0.00111211 -3.28281 63.546000 Cu 0.365443 0.336739 2.39119e-19 356 63.546 8.91815e-05 -3.28286 63.546000 Cu 0.616546 0.399128 0.5 364 63.546 0.00958753 -3.28157 63.546000 Cu 0.403509 0.385176 7.65179e-18 378 63.546 0.00501864 -3.28359 63.546000 Cu 0.384539 0.360956 0.5 379 63.546 0.000790727 -3.28317 63.546000 Cu 0.480664 0.356133 6.4562e-18 381 63.546 0.00124105 -3.28378 63.546000 Cu 0.576996 0.351212 0.5 382 63.546 0.000287498 -3.28341 63.546000 Cu 0.500048 0.380166 0.5 383 63.546 0.00134366 -3.28353 63.546000 Cu 0.673324 0.346293 4.78237e-18 343 63.546 0.000443734 -3.28282 63.546000 Cu 0.788795 0.365652 2.39119e-19 344 63.546 0.00080117 -3.28227 63.546000 Cu 0.769459 0.341474 0.5 345 63.546 0.000730062 -3.28262 63.546000 Cu 0.693042 0.370352 0.5 346 63.546 0.00281551 -3.28221 63.546000 Cu 0.865443 0.336739 2.72595e-17 347 63.546 8.91815e-05 -3.28286 63.546000 Cu 0.980664 0.356133 2.19989e-17 348 63.546 0.00124105 -3.28378 63.546000 Cu 0.884539 0.360956 0.5 350 63.546 0.000790727 -3.28317 63.546000 Cu 0.712472 0.394568 4.0411e-17 365 63.546 0.00481345 -3.28168 63.546000 Cu 0.807793 0.390006 0.5 367 63.546 0.00201695 -3.28236 63.546000 Cu 0.903509 0.385176 3.06072e-17 369 63.546 0.00501864 -3.28359 63.546000 Cu 0.0197717 0.403998 1 370 63.546 0.00381808 -3.28142 63.546000 Cu 0.0613445 0.452341 1 391 63.546 0.117245 -3.26623 63.546000 Cu 0.0400949 0.427819 0.5 392 63.546 0.0385219 -3.28135 63.546000 Cu 0.135478 0.42324 1 394 63.546 0.0280817 -3.28172 63.546000 Cu 0.247609 0.443785 1 395 63.546 0.0940371 -3.28218 63.546000 Cu 0.230849 0.419091 0.5 396 63.546 0.00742313 -3.28199 63.546000 Cu 0.152571 0.448095 0.5 397 63.546 0.0744991 -3.2773 63.546000 Cu 0.326523 0.414437 0 398 63.546 0.0189022 -3.2841 63.546000 Cu 0.561345 0.452341 5.73885e-17 5 63.546 0.117245 -3.26623 63.546000 Cu 0.466675 0.456786 0.5 12 63.546 0.142121 -3.27726 63.546000 Cu 0.366677 0.461841 7.72353e-17 205 63.546 0.0586033 -3.28274 63.546000 Cu 0.635478 0.42324 8.82347e-17 363 63.546 0.0280817 -3.28172 63.546000 Cu 0.652571 0.448095 0.5 385 63.546 0.0744991 -3.2773 63.546000 Cu 0.443969 0.433073 2.74986e-17 399 63.546 0.00825645 -3.27964 63.546000 Cu 0.422943 0.409249 0.5 400 63.546 0.00671458 -3.28268 63.546000 Cu 0.346049 0.438532 0.5 401 63.546 0.0393449 -3.2853 63.546000 Cu 0.519772 0.403998 0 402 63.546 0.00381808 -3.28142 63.546000 Cu 0.540095 0.427819 0.5 403 63.546 0.0385219 -3.28135 63.546000 Cu 0.826523 0.414437 1 366 63.546 0.0189022 -3.2841 63.546000 Cu 0.730849 0.419091 0.5 368 63.546 0.00742313 -3.28199 63.546000 Cu 0.922943 0.409249 0.5 372 63.546 0.00671458 -3.28268 63.546000 Cu 0.747609 0.443785 2.72595e-17 386 63.546 0.0940371 -3.28218 63.546000 Cu 0.866677 0.461841 2.39119e-19 387 63.546 0.0586033 -3.28274 63.546000 Cu 0.846049 0.438532 0.5 388 63.546 0.0393449 -3.2853 63.546000 Cu 0.943969 0.433073 3.53895e-17 390 63.546 0.00825645 -3.27964 63.546000 Cu 0.966675 0.456786 0.5 393 63.546 0.142121 -3.27726 63.546000 Cu 0.263486 0.467207 0.5 210 63.546 0.642374 -3.20856 63.546000 Cu 0.283183 0.520277 5.09323e-17 4 63.546 9.29308 -2.98782 63.546000 Cu 0.192635 0.50463 0.5 209 63.546 7.07009 -3.11473 63.546000 Cu 0.0933454 0.504592 1 409 63.546 1.31697 -3.24838 63.546000 Cu 0.0830499 0.478445 0.5 410 63.546 0.543934 -3.2175 63.546000 Cu 0.168762 0.474269 1 411 63.546 0.686666 -3.16833 63.546000 Cu 0.283038 0.489009 2.86942e-18 412 63.546 9.28899 -2.98808 63.546000 Cu 0.0829495 0.53075 0.5 20 63.546 0.538653 -3.2167 63.546000 Cu 0.58305 0.478445 0.5 2 63.546 0.543934 -3.2175 63.546000 Cu 0.383606 0.525077 0.5 6 63.546 3.51733 -3.1698 63.546000 Cu 0.40072 0.504619 4.20849e-17 7 63.546 6.73004 -3.00163 63.546000 Cu 0.487888 0.528952 5.47581e-17 8 63.546 0.64707 -3.2622 63.546000 Cu 0.495989 0.504606 0.5 9 63.546 0.987443 -3.28778 63.546000 Cu 0.383541 0.484179 0.5 10 63.546 3.53602 -3.16884 63.546000 Cu 0.487883 0.480269 1.85078e-16 203 63.546 0.644629 -3.26266 63.546000 Cu 0.593345 0.504592 2.58248e-17 404 63.546 1.31697 -3.24838 63.546000 Cu 0.582949 0.53075 0.5 13 63.546 0.538653 -3.2167 63.546000 Cu 0.763486 0.467207 0.5 389 63.546 0.642374 -3.20856 63.546000 Cu 0.90072 0.504619 1 1 63.546 6.73004 -3.00163 63.546000 Cu 0.995989 0.504606 0.5 3 63.546 0.987443 -3.28778 63.546000 Cu 0.783183 0.520277 1 14 63.546 9.29308 -2.98782 63.546000 Cu 0.883606 0.525077 0.5 16 63.546 3.51733 -3.1698 63.546000 Cu 0.987888 0.528952 1 18 63.546 0.64707 -3.2622 63.546000 Cu 0.668762 0.474269 7.34094e-17 384 63.546 0.686666 -3.16833 63.546000 Cu 0.692635 0.50463 0.5 405 63.546 7.07009 -3.11473 63.546000 Cu 0.783038 0.489009 1 406 63.546 9.28899 -2.98808 63.546000 Cu 0.883541 0.484179 0.5 407 63.546 3.53602 -3.16884 63.546000 Cu 0.987883 0.480269 2.39119e-19 408 63.546 0.644629 -3.26266 63.546000 Cu 0.0611366 0.556904 1 19 63.546 0.11448 -3.26554 63.546000 Cu 0.168696 0.534936 1 22 63.546 0.693227 -3.1693 63.546000 Cu 0.247361 0.565459 2.39119e-19 23 63.546 0.0974725 -3.2822 63.546000 Cu 0.263491 0.542058 0.5 24 63.546 0.634873 -3.20829 63.546000 Cu 0.152309 0.561116 0.5 25 63.546 0.0759531 -3.27708 63.546000 Cu 0.0398489 0.581474 0.5 40 63.546 0.0406601 -3.28148 63.546000 Cu 0.135166 0.585997 2.39119e-19 42 63.546 0.0251364 -3.28168 63.546000 Cu 0.230463 0.590145 0.5 44 63.546 0.00840353 -3.28185 63.546000 Cu 0.326143 0.594835 0 46 63.546 0.0206345 -3.28405 63.546000 Cu 0.366691 0.547463 3.89763e-17 26 63.546 0.0599474 -3.28296 63.546000 Cu 0.345858 0.570766 0.5 27 63.546 0.0370256 -3.28505 63.546000 Cu 0.443816 0.57625 0 28 63.546 0.00938914 -3.2796 63.546000 Cu 0.466546 0.552493 0.5 29 63.546 0.143403 -3.27718 63.546000 Cu 0.561137 0.556904 2.39119e-19 30 63.546 0.11448 -3.26554 63.546000 Cu 0.635166 0.585997 2.31945e-17 31 63.546 0.0251364 -3.28168 63.546000 Cu 0.652309 0.561116 0.5 32 63.546 0.0759531 -3.27708 63.546000 Cu 0.539849 0.581474 0.5 33 63.546 0.0406601 -3.28148 63.546000 Cu 0.668696 0.534936 0 11 63.546 0.693227 -3.1693 63.546000 Cu 0.866691 0.547463 1 15 63.546 0.0599474 -3.28296 63.546000 Cu 0.763491 0.542058 0.5 17 63.546 0.634873 -3.20829 63.546000 Cu 0.966546 0.552493 0.5 21 63.546 0.143403 -3.27718 63.546000 Cu 0.747361 0.565459 1 34 63.546 0.0974725 -3.2822 63.546000 Cu 0.826143 0.594835 2.39119e-19 35 63.546 0.0206345 -3.28405 63.546000 Cu 0.845858 0.570766 0.5 36 63.546 0.0370256 -3.28505 63.546000 Cu 0.730463 0.590145 0.5 37 63.546 0.00840353 -3.28185 63.546000 Cu 0.943816 0.57625 1 38 63.546 0.00938914 -3.2796 63.546000 Cu 0.0195033 0.605325 2.39119e-19 39 63.546 0.00470462 -3.2814 63.546000 Cu 0.212094 0.614708 4.78237e-19 43 63.546 0.00413797 -3.28166 63.546000 Cu 0.116223 0.610178 0.5 45 63.546 0.0105207 -3.28168 63.546000 Cu 0.307378 0.61927 0.5 47 63.546 0.00267043 -3.28231 63.546000 Cu 0.0964993 0.634143 2.39119e-19 62 63.546 0.00140305 -3.28275 63.546000 Cu 0.173175 0.663069 0 63 63.546 0.000531776 -3.2827 63.546000 Cu 0.192779 0.638974 0.5 64 63.546 0.00304687 -3.2822 63.546000 Cu 0.0768546 0.65815 0.5 65 63.546 0.000240466 -3.28336 63.546000 Cu 0.288502 0.64366 3.68243e-17 66 63.546 0.00069473 -3.28228 63.546000 Cu 0.403129 0.624124 2.39119e-19 48 63.546 0.00583055 -3.2835 63.546000 Cu 0.422627 0.600069 0.5 49 63.546 0.00634299 -3.28253 63.546000 Cu 0.519503 0.605325 0 50 63.546 0.00470462 -3.2814 63.546000 Cu 0.596499 0.634143 6.09752e-17 51 63.546 0.00140305 -3.28275 63.546000 Cu 0.616223 0.610178 0.5 52 63.546 0.0105207 -3.28168 63.546000 Cu 0.499707 0.629158 0.5 53 63.546 0.00151163 -3.2834 63.546000 Cu 0.384261 0.648371 0.5 68 63.546 0.000923219 -3.28317 63.546000 Cu 0.480423 0.653208 2.39119e-19 70 63.546 0.00137354 -3.28378 63.546000 Cu 0.576855 0.65815 0.5 72 63.546 0.000240466 -3.28336 63.546000 Cu 0.922627 0.600069 0.5 41 63.546 0.00634299 -3.28253 63.546000 Cu 0.712094 0.614708 3.68243e-17 54 63.546 0.00413797 -3.28166 63.546000 Cu 0.788502 0.64366 4.71064e-17 55 63.546 0.00069473 -3.28228 63.546000 Cu 0.807378 0.61927 0.5 56 63.546 0.00267043 -3.28231 63.546000 Cu 0.692779 0.638974 0.5 57 63.546 0.00304687 -3.2822 63.546000 Cu 0.903129 0.624124 8.60827e-18 58 63.546 0.00583055 -3.2835 63.546000 Cu 0.980423 0.653208 8.84739e-18 59 63.546 0.00137354 -3.28378 63.546000 Cu 0.999707 0.629158 0.5 60 63.546 0.00151163 -3.2834 63.546000 Cu 0.884261 0.648371 0.5 61 63.546 0.000923219 -3.28317 63.546000 Cu 0.673175 0.663069 0 74 63.546 0.000531776 -3.2827 63.546000 Cu 0.269301 0.667884 0.5 69 63.546 0.000774132 -3.28254 63.546000 Cu 0.0574521 0.682245 3.34766e-18 82 63.546 0.000325855 -3.28326 63.546000 Cu 0.134466 0.711238 1.12386e-17 83 63.546 0.000106282 -3.28316 63.546000 Cu 0.153729 0.687135 0.5 84 63.546 5.70822e-05 -3.28305 63.546000 Cu 0.0382723 0.706393 0.5 85 63.546 0.000135076 -3.28307 63.546000 Cu 0.250023 0.691998 2.39119e-19 86 63.546 0.000200758 -3.28283 63.546000 Cu 0.326937 0.720949 0 87 63.546 6.69897e-05 -3.28294 63.546000 Cu 0.230714 0.716101 0.5 89 63.546 2.22108e-05 -3.28308 63.546000 Cu 0.0191764 0.730568 2.39119e-19 102 63.546 1.69645e-05 -3.28299 63.546000 Cu 0.365288 0.672617 7.17356e-18 67 63.546 9.41767e-05 -3.28282 63.546000 Cu 0.557452 0.682245 4.78237e-19 71 63.546 0.000325855 -3.28326 63.546000 Cu 0.461312 0.677389 0.5 73 63.546 0.000313241 -3.28321 63.546000 Cu 0.653729 0.687135 0.5 77 63.546 5.70822e-05 -3.28305 63.546000 Cu 0.346178 0.696799 0.5 88 63.546 0.000151098 -3.28279 63.546000 Cu 0.442214 0.701584 2.39119e-19 90 63.546 1.6946e-05 -3.28289 63.546000 Cu 0.519176 0.730568 2.39119e-19 91 63.546 1.69645e-05 -3.28299 63.546000 Cu 0.538272 0.706393 0.5 92 63.546 0.000135076 -3.28307 63.546000 Cu 0.423074 0.725763 0.5 93 63.546 3.42264e-05 -3.28289 63.546000 Cu 0.634466 0.711238 2.08033e-17 94 63.546 0.000106282 -3.28316 63.546000 Cu 0.750023 0.691998 0 75 63.546 0.000200758 -3.28283 63.546000 Cu 0.769301 0.667884 0.5 76 63.546 0.000774132 -3.28254 63.546000 Cu 0.865288 0.672617 2.39119e-19 78 63.546 9.41767e-05 -3.28282 63.546000 Cu 0.942214 0.701584 2.6303e-17 79 63.546 1.6946e-05 -3.28289 63.546000 Cu 0.961312 0.677389 0.5 80 63.546 0.000313241 -3.28321 63.546000 Cu 0.846178 0.696799 0.5 81 63.546 0.000151098 -3.28279 63.546000 Cu 0.730714 0.716101 0.5 96 63.546 2.22108e-05 -3.28308 63.546000 Cu 0.826937 0.720949 0 98 63.546 6.69897e-05 -3.28294 63.546000 Cu 0.923074 0.725763 0.5 100 63.546 3.42264e-05 -3.28289 63.546000 Cu 0.0960856 0.759559 1.88904e-17 103 63.546 1.93314e-05 -3.283 63.546000 Cu 0.115292 0.73539 0.5 104 63.546 4.03623e-05 -3.28313 63.546000 Cu 0.211471 0.740236 2.39119e-19 106 63.546 1.97418e-05 -3.2832 63.546000 Cu 0.288482 0.769251 2.39119e-19 107 63.546 2.22417e-05 -3.28321 63.546000 Cu 0.307684 0.74509 0.5 108 63.546 1.69011e-05 -3.28312 63.546000 Cu 0.192272 0.764396 0.5 109 63.546 1.34087e-05 -3.28313 63.546000 Cu 0.0768794 0.783722 0.5 124 63.546 4.25087e-05 -3.28291 63.546000 Cu 0.173013 0.788538 7.41267e-18 126 63.546 7.91607e-05 -3.28293 63.546000 Cu 0.269234 0.793389 0.5 128 63.546 2.48422e-05 -3.28307 63.546000 Cu 0.615292 0.73539 0.5 97 63.546 4.03623e-05 -3.28313 63.546000 Cu 0.384667 0.774099 0.5 110 63.546 4.77934e-05 -3.28316 63.546000 Cu 0.403854 0.749923 2.39119e-19 111 63.546 1.52501e-05 -3.283 63.546000 Cu 0.480783 0.778918 2.0086e-17 112 63.546 1.302e-05 -3.28301 63.546000 Cu 0.499972 0.754741 0.5 113 63.546 6.04579e-07 -3.28294 63.546000 Cu 0.596086 0.759559 4.78237e-18 114 63.546 1.93314e-05 -3.283 63.546000 Cu 0.576879 0.783722 0.5 117 63.546 4.25087e-05 -3.28291 63.546000 Cu 0.365505 0.798255 2.39119e-19 130 63.546 0.000137218 -3.28313 63.546000 Cu 0.711471 0.740236 2.39119e-19 95 63.546 1.97418e-05 -3.2832 63.546000 Cu 0.903854 0.749923 2.79769e-17 99 63.546 1.52501e-05 -3.283 63.546000 Cu 0.807684 0.74509 0.5 101 63.546 1.69011e-05 -3.28312 63.546000 Cu 0.999972 0.754741 0.5 105 63.546 6.04579e-07 -3.28294 63.546000 Cu 0.673013 0.788538 2.19989e-17 115 63.546 7.91607e-05 -3.28293 63.546000 Cu 0.692272 0.764396 0.5 116 63.546 1.34087e-05 -3.28313 63.546000 Cu 0.788482 0.769251 2.39119e-18 118 63.546 2.22417e-05 -3.28321 63.546000 Cu 0.865505 0.798255 6.09752e-17 119 63.546 0.000137218 -3.28313 63.546000 Cu 0.884667 0.774099 0.5 120 63.546 4.77934e-05 -3.28316 63.546000 Cu 0.769234 0.793389 0.5 121 63.546 2.48422e-05 -3.28307 63.546000 Cu 0.980783 0.778918 5.16496e-17 122 63.546 1.302e-05 -3.28301 63.546000 Cu 0.0577587 0.807909 4.35196e-17 123 63.546 2.1396e-05 -3.28291 63.546000 Cu 0.249959 0.81749 8.36915e-17 127 63.546 0.000215721 -3.28283 63.546000 Cu 0.153785 0.812689 0.5 129 63.546 0.00017281 -3.28279 63.546000 Cu 0.0195702 0.856284 0 143 63.546 0.00125184 -3.28379 63.546000 Cu 0.0386706 0.832105 0.5 144 63.546 0.000329709 -3.28315 63.546000 Cu 0.134698 0.836876 0 146 63.546 8.65006e-05 -3.28281 63.546000 Cu 0.211485 0.865839 0 147 63.546 0.000686979 -3.28224 63.546000 Cu 0.230693 0.841612 0.5 148 63.546 0.00072541 -3.28255 63.546000 Cu 0.115748 0.861126 0.5 149 63.546 0.000940431 -3.28318 63.546000 Cu 0.326803 0.846424 5.40408e-17 150 63.546 0.000569978 -3.28277 63.546000 Cu 0.346236 0.822353 0.5 131 63.546 4.61731e-05 -3.28299 63.546000 Cu 0.442513 0.827248 4.56716e-17 132 63.546 0.000310827 -3.28321 63.546000 Cu 0.461684 0.803101 0.5 133 63.546 0.000148152 -3.28308 63.546000 Cu 0.557759 0.807909 2.39119e-19 134 63.546 2.1396e-05 -3.28291 63.546000 Cu 0.634698 0.836876 2.89333e-17 135 63.546 8.65006e-05 -3.28281 63.546000 Cu 0.653785 0.812689 0.5 136 63.546 0.00017281 -3.28279 63.546000 Cu 0.538671 0.832105 0.5 137 63.546 0.000329709 -3.28315 63.546000 Cu 0.423169 0.851342 0.5 153 63.546 0.00022981 -3.28339 63.546000 Cu 0.51957 0.856284 2.67813e-17 154 63.546 0.00125184 -3.28379 63.546000 Cu 0.615748 0.861126 0.5 156 63.546 0.000940431 -3.28318 63.546000 Cu 0.961684 0.803101 0.5 125 63.546 0.000148152 -3.28308 63.546000 Cu 0.749959 0.81749 0 138 63.546 0.000215721 -3.28283 63.546000 Cu 0.826803 0.846424 1.3008e-16 139 63.546 0.000569978 -3.28277 63.546000 Cu 0.846236 0.822353 0.5 140 63.546 4.61731e-05 -3.28299 63.546000 Cu 0.730693 0.841612 0.5 141 63.546 0.00072541 -3.28255 63.546000 Cu 0.942513 0.827248 5.06931e-17 142 63.546 0.000310827 -3.28321 63.546000 Cu 0.923169 0.851342 0.5 145 63.546 0.00022981 -3.28339 63.546000 Cu 0.711485 0.865839 3.84981e-17 158 63.546 0.000686979 -3.28224 63.546000 Cu 0.307231 0.870529 0.5 151 63.546 0.00287218 -3.28221 63.546000 Cu 0.0968715 0.885383 3.92154e-17 166 63.546 0.00607446 -3.2835 63.546000 Cu 0.173873 0.914675 8.13003e-17 167 63.546 0.0211416 -3.28407 63.546000 Cu 0.192623 0.890228 0.5 168 63.546 0.00257407 -3.28228 63.546000 Cu 0.0773799 0.909434 0.5 169 63.546 0.00642677 -3.28252 63.546000 Cu 0.287907 0.894788 0 170 63.546 0.00431316 -3.2816 63.546000 Cu 0.269529 0.919362 0.5 173 63.546 0.00855433 -3.2818 63.546000 Cu 0.0562033 0.933256 2.39119e-19 186 63.546 0.00937308 -3.27958 63.546000 Cu 0.000273874 0.880349 0.5 164 63.546 0.00161867 -3.28341 63.546000 Cu 0.403511 0.875361 0 152 63.546 0.00133526 -3.28273 63.546000 Cu 0.596871 0.885383 2.39119e-19 155 63.546 0.00607446 -3.2835 63.546000 Cu 0.500274 0.880349 0.5 157 63.546 0.00161867 -3.28341 63.546000 Cu 0.364817 0.923504 6.21708e-18 171 63.546 0.0255583 -3.28173 63.546000 Cu 0.383744 0.89932 0.5 172 63.546 0.0109115 -3.2816 63.546000 Cu 0.480485 0.904172 1 174 63.546 0.0048605 -3.28135 63.546000 Cu 0.556203 0.933256 2.39119e-19 175 63.546 0.00937308 -3.27958 63.546000 Cu 0.57738 0.909434 0.5 176 63.546 0.00642677 -3.28252 63.546000 Cu 0.460147 0.928027 0.5 177 63.546 0.0411533 -3.28159 63.546000 Cu 0.787907 0.894788 1.64992e-17 159 63.546 0.00431316 -3.2816 63.546000 Cu 0.807231 0.870529 0.5 160 63.546 0.00287218 -3.28221 63.546000 Cu 0.692623 0.890228 0.5 161 63.546 0.00257407 -3.28228 63.546000 Cu 0.903511 0.875361 1.56623e-16 162 63.546 0.00133526 -3.28273 63.546000 Cu 0.980485 0.904172 1.62601e-16 163 63.546 0.0048605 -3.28135 63.546000 Cu 0.883744 0.89932 0.5 165 63.546 0.0109115 -3.2816 63.546000 Cu 0.673873 0.914675 2.39119e-19 178 63.546 0.0211416 -3.28407 63.546000 Cu 0.769529 0.919362 0.5 180 63.546 0.00855433 -3.2818 63.546000 Cu 0.864817 0.923504 0 182 63.546 0.0255583 -3.28173 63.546000 Cu 0.960147 0.928027 0.5 184 63.546 0.0411533 -3.28159 63.546000 Cu 0.133295 0.962039 1.2219e-16 187 63.546 0.0597028 -3.28274 63.546000 Cu 0.154142 0.938749 0.5 188 63.546 0.0377546 -3.28496 63.546000 Cu 0.0334672 0.957011 0.5 189 63.546 0.143586 -3.27726 63.546000 Cu 0.252667 0.944059 2.67813e-17 190 63.546 0.0995221 -3.28216 63.546000 Cu 0.331311 0.974593 0 191 63.546 0.69397 -3.16966 63.546000 Cu 0.236514 0.967461 0.5 193 63.546 0.634326 -3.2084 63.546000 Cu 0.0121119 0.980564 7.53223e-17 206 63.546 0.645443 -3.26241 63.546000 Cu 0.11637 0.984433 0.5 207 63.546 3.51846 -3.1702 63.546000 Cu 0.216768 0.989237 0 208 63.546 9.28912 -2.98811 63.546000 Cu 0.654142 0.938749 0.5 181 63.546 0.0377546 -3.28496 63.546000 Cu 0.347703 0.948393 0.5 192 63.546 0.0764295 -3.27689 63.546000 Cu 0.438851 0.952605 1 194 63.546 0.115714 -3.26554 63.546000 Cu 0.512112 0.980564 1 195 63.546 0.645443 -3.26241 63.546000 Cu 0.533467 0.957011 0.5 196 63.546 0.143586 -3.27726 63.546000 Cu 0.41707 0.978772 0.5 197 63.546 0.535237 -3.2166 63.546000 Cu 0.633295 0.962039 1 198 63.546 0.0597028 -3.28274 63.546000 Cu 0.61637 0.984433 0.5 201 63.546 3.51846 -3.1702 63.546000 Cu 0.752667 0.944059 0 179 63.546 0.0995221 -3.28216 63.546000 Cu 0.938851 0.952605 0 183 63.546 0.115714 -3.26554 63.546000 Cu 0.847703 0.948393 0.5 185 63.546 0.0764295 -3.27689 63.546000 Cu 0.716768 0.989237 1 199 63.546 9.28912 -2.98811 63.546000 Cu 0.736514 0.967461 0.5 200 63.546 0.634326 -3.2084 63.546000 Cu 0.831311 0.974593 1.55427e-17 202 63.546 0.69397 -3.16966 63.546000 Cu 0.91707 0.978772 0.5 204 63.546 0.535237 -3.2166