Number of particles = 398 A = 1 Angstrom (basic length-scale) H0(1,1) = 17.9225 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 71.8629 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60356 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 0.100972 0.0451152 1.20348e-18 210 63.546 0.0510637 -3.51298 63.546000 Cu 0.0416521 0.0246299 0.5 211 63.546 0.0847395 -3.50711 63.546000 Cu 0.120862 0.00887825 6.25087e-16 213 63.546 0.262099 -3.48677 63.546000 Cu 0.179116 0.0306195 0.5 215 63.546 0.0664857 -3.49422 63.546000 Cu 0.258317 0.0182898 3.00148e-16 214 63.546 0.437819 -3.44582 63.546000 Cu 0.339996 0.00382609 0.5 216 63.546 0.391513 -3.4725 63.546000 Cu 0.31997 0.037718 0.5 229 63.546 0.102799 -3.49635 63.546000 Cu 0.401072 0.0220047 7.94297e-18 231 63.546 0.0211408 -3.50377 63.546000 Cu 0.541652 0.0246299 1 232 63.546 0.0847395 -3.50711 63.546000 Cu 0.481727 0.00540387 0.5 233 63.546 0.0599894 -3.49684 63.546000 Cu 0.461583 0.0408378 0.5 234 63.546 0.0160691 -3.51023 63.546000 Cu 0.600972 0.0451152 0.5 255 63.546 0.0510637 -3.51298 63.546000 Cu 0.620862 0.00887825 0.5 235 63.546 0.262099 -3.48677 63.546000 Cu 0.679116 0.0306195 7.94297e-18 257 63.546 0.0664857 -3.49422 63.546000 Cu 0.758317 0.0182898 0.5 259 63.546 0.437819 -3.44582 63.546000 Cu 0.839996 0.00382609 9.62784e-19 203 63.546 0.391513 -3.4725 63.546000 Cu 0.981727 0.00540387 7.07646e-16 204 63.546 0.0599894 -3.49684 63.546000 Cu 0.901072 0.0220047 0.5 205 63.546 0.0211408 -3.50377 63.546000 Cu 0.961583 0.0408378 1 209 63.546 0.0160691 -3.51023 63.546000 Cu 0.81997 0.037718 7.94297e-18 258 63.546 0.102799 -3.49635 63.546000 Cu 0.0216494 0.0604318 0.5 212 63.546 0.0248842 -3.51369 63.546000 Cu 0.0816642 0.0806632 7.94297e-18 223 63.546 0.0133334 -3.51354 63.546000 Cu 0.160573 0.0659963 0.5 225 63.546 0.00988049 -3.50855 63.546000 Cu 0.0023332 0.0958287 0.5 221 63.546 0.00689367 -3.5137 63.546000 Cu 0.221122 0.0866446 7.49527e-16 224 63.546 0.0122438 -3.50595 63.546000 Cu 0.239649 0.0521342 4.41677e-16 227 63.546 0.0671983 -3.49413 63.546000 Cu 0.381161 0.0567265 7.3677e-16 228 63.546 0.00942077 -3.50833 63.546000 Cu 0.300879 0.0720194 0.5 230 63.546 0.0275415 -3.50462 63.546000 Cu 0.361949 0.0915271 6.61433e-16 249 63.546 0.00345699 -3.51021 63.546000 Cu 0.502333 0.0958287 9.29327e-16 250 63.546 0.00689367 -3.5137 63.546000 Cu 0.441873 0.0760471 0.5 251 63.546 0.00485578 -3.51241 63.546000 Cu 0.521649 0.0604318 2.01703e-16 253 63.546 0.0248842 -3.51369 63.546000 Cu 0.581664 0.0806632 0.5 256 63.546 0.0133334 -3.51354 63.546000 Cu 0.660573 0.0659963 1.14812e-16 254 63.546 0.00988049 -3.50855 63.546000 Cu 0.739649 0.0521342 0.5 260 63.546 0.0671983 -3.49413 63.546000 Cu 0.721122 0.0866446 0.5 283 63.546 0.0122438 -3.50595 63.546000 Cu 0.800879 0.0720194 6.16663e-16 285 63.546 0.0275415 -3.50462 63.546000 Cu 0.941873 0.0760471 1 206 63.546 0.00485578 -3.51241 63.546000 Cu 0.881161 0.0567265 0.5 207 63.546 0.00942077 -3.50833 63.546000 Cu 0.861949 0.0915271 0.5 208 63.546 0.00345699 -3.51021 63.546000 Cu 0.0627035 0.115939 5.54804e-16 220 63.546 0.00347286 -3.51293 63.546000 Cu 0.141962 0.101118 0.5 226 63.546 0.0020056 -3.51093 63.546000 Cu 0.122977 0.136162 0.5 243 63.546 0.000613985 -3.51153 63.546000 Cu 0.202529 0.121416 4.07258e-16 245 63.546 0.00257435 -3.50964 63.546000 Cu 0.34299 0.126389 3.53342e-16 246 63.546 0.00130855 -3.51067 63.546000 Cu 0.28215 0.106638 0.5 247 63.546 0.00721573 -3.50842 63.546000 Cu 0.263136 0.141426 0.5 248 63.546 0.00214646 -3.51016 63.546000 Cu 0.403401 0.146181 0.5 275 63.546 0.000463838 -3.5118 63.546000 Cu 0.422749 0.111154 0.5 252 63.546 0.00129114 -3.51231 63.546000 Cu 0.483223 0.131013 1.10215e-15 277 63.546 0.0022805 -3.51273 63.546000 Cu 0.562704 0.115939 0.5 279 63.546 0.00347286 -3.51293 63.546000 Cu 0.622977 0.136162 6.09202e-16 278 63.546 0.000613985 -3.51153 63.546000 Cu 0.641962 0.101118 1.37871e-15 281 63.546 0.0020056 -3.51093 63.546000 Cu 0.78215 0.106638 7.33401e-16 282 63.546 0.00721573 -3.50842 63.546000 Cu 0.702529 0.121416 0.5 284 63.546 0.00257435 -3.50964 63.546000 Cu 0.763136 0.141426 7.30512e-16 309 63.546 0.00214646 -3.51016 63.546000 Cu 0.903401 0.146181 1.16738e-15 217 63.546 0.000463838 -3.5118 63.546000 Cu 0.84299 0.126389 0.5 218 63.546 0.00130855 -3.51067 63.546000 Cu 0.922749 0.111154 7.94297e-18 219 63.546 0.00129114 -3.51231 63.546000 Cu 0.983223 0.131013 0.5 222 63.546 0.0022805 -3.51273 63.546000 Cu 0.0234839 0.186111 8.5086e-16 238 63.546 0.000152855 -3.51223 63.546000 Cu 0.0433354 0.151063 8.64821e-16 241 63.546 0.000956725 -3.51215 63.546000 Cu 0.183165 0.156298 1 242 63.546 0.000688423 -3.51075 63.546000 Cu 0.103335 0.171148 0.5 244 63.546 0.000216055 -3.51157 63.546000 Cu 0.163425 0.191201 7.94297e-18 269 63.546 0.00018062 -3.51095 63.546000 Cu 0.303503 0.196188 7.94297e-18 270 63.546 6.72272e-05 -3.51105 63.546000 Cu 0.243389 0.176282 0.5 271 63.546 0.000487136 -3.51068 63.546000 Cu 0.323426 0.161281 1.44418e-18 273 63.546 0.000328697 -3.51098 63.546000 Cu 0.383561 0.181166 0.5 276 63.546 0.000155088 -3.51176 63.546000 Cu 0.463533 0.166092 1 274 63.546 0.000556715 -3.51221 63.546000 Cu 0.543335 0.151063 0.5 280 63.546 0.000956725 -3.51215 63.546000 Cu 0.523484 0.186111 0.5 303 63.546 0.000152855 -3.51223 63.546000 Cu 0.603335 0.171148 3.69228e-16 305 63.546 0.000216055 -3.51157 63.546000 Cu 0.743389 0.176282 1 306 63.546 0.000487136 -3.51068 63.546000 Cu 0.683165 0.156298 0.5 307 63.546 0.000688423 -3.51075 63.546000 Cu 0.663425 0.191201 0.5 308 63.546 0.00018062 -3.51095 63.546000 Cu 0.803503 0.196188 0.5 334 63.546 6.72272e-05 -3.51105 63.546000 Cu 0.883561 0.181166 9.78188e-16 237 63.546 0.000155088 -3.51176 63.546000 Cu 0.963533 0.166092 0.5 239 63.546 0.000556715 -3.51221 63.546000 Cu 0.823426 0.161281 0.5 310 63.546 0.000328697 -3.51098 63.546000 Cu 0.1436 0.226106 2.20718e-16 266 63.546 6.48692e-05 -3.5112 63.546000 Cu 0.0834844 0.20614 0.5 267 63.546 7.97458e-05 -3.5117 63.546000 Cu 0.0637577 0.241104 0.5 268 63.546 7.066e-05 -3.51171 63.546000 Cu 0.00358747 0.221122 1.17748e-15 265 63.546 4.21618e-05 -3.51202 63.546000 Cu 0.20386 0.246055 0.5 295 63.546 5.51789e-05 -3.51105 63.546000 Cu 0.223491 0.211151 0.5 272 63.546 7.43992e-05 -3.5108 63.546000 Cu 0.283744 0.231095 4.33734e-16 297 63.546 4.50236e-05 -3.51134 63.546000 Cu 0.363614 0.216122 0.5 299 63.546 7.89481e-05 -3.51156 63.546000 Cu 0.423758 0.23611 1 298 63.546 3.18805e-05 -3.51201 63.546000 Cu 0.443541 0.201127 1 301 63.546 7.82103e-05 -3.512 63.546000 Cu 0.583484 0.20614 1 302 63.546 7.97458e-05 -3.5117 63.546000 Cu 0.503587 0.221122 0.5 304 63.546 4.21618e-05 -3.51202 63.546000 Cu 0.563758 0.241104 4.57322e-18 329 63.546 7.066e-05 -3.51171 63.546000 Cu 0.70386 0.246055 1 330 63.546 5.51789e-05 -3.51105 63.546000 Cu 0.6436 0.226106 0.5 331 63.546 6.48692e-05 -3.5112 63.546000 Cu 0.723491 0.211151 6.49879e-18 333 63.546 7.43992e-05 -3.5108 63.546000 Cu 0.783744 0.231095 0.5 335 63.546 4.50236e-05 -3.51134 63.546000 Cu 0.863614 0.216122 5.92353e-16 236 63.546 7.89481e-05 -3.51156 63.546000 Cu 0.943541 0.201127 0.5 240 63.546 7.82103e-05 -3.512 63.546000 Cu 0.923758 0.23611 0.5 263 63.546 3.18805e-05 -3.51201 63.546000 Cu 0.104549 0.295927 8.58563e-16 290 63.546 0.000291939 -3.51107 63.546000 Cu 0.0441821 0.276065 0.5 291 63.546 0.000150404 -3.51177 63.546000 Cu 0.124032 0.261027 7.94297e-18 293 63.546 0.000100055 -3.51117 63.546000 Cu 0.184417 0.280927 0.5 296 63.546 0.000468755 -3.51073 63.546000 Cu 0.264211 0.266009 1 294 63.546 0.000167882 -3.51099 63.546000 Cu 0.343968 0.251081 0.5 300 63.546 5.92072e-05 -3.51167 63.546000 Cu 0.324501 0.286041 0.5 323 63.546 0.000110374 -3.51159 63.546000 Cu 0.404179 0.271115 3.30957e-16 325 63.546 0.000188505 -3.5121 63.546000 Cu 0.544182 0.276065 4.81392e-19 326 63.546 0.000150404 -3.51177 63.546000 Cu 0.48397 0.256124 0.5 327 63.546 0.000167641 -3.51212 63.546000 Cu 0.464406 0.29113 0.5 328 63.546 0.000660925 -3.51224 63.546000 Cu 0.604549 0.295927 0.5 355 63.546 0.000291939 -3.51107 63.546000 Cu 0.624032 0.261027 0.5 332 63.546 0.000100055 -3.51117 63.546000 Cu 0.684417 0.280927 7.94297e-18 357 63.546 0.000468755 -3.51073 63.546000 Cu 0.764211 0.266009 0.5 359 63.546 0.000167882 -3.51099 63.546000 Cu 0.843968 0.251081 1 261 63.546 5.92072e-05 -3.51167 63.546000 Cu 0.98397 0.256124 1.34549e-16 262 63.546 0.000167641 -3.51212 63.546000 Cu 0.904179 0.271115 0.5 264 63.546 0.000188505 -3.5121 63.546000 Cu 0.964406 0.29113 7.94297e-18 289 63.546 0.000660925 -3.51224 63.546000 Cu 0.824501 0.286041 5.29531e-18 358 63.546 0.000110374 -3.51159 63.546000 Cu 0.0247023 0.311026 0.5 292 63.546 0.000389056 -3.5119 63.546000 Cu 0.0851049 0.330787 1 317 63.546 0.00114085 -3.51064 63.546000 Cu 0.16503 0.315766 0.5 319 63.546 0.00185005 -3.50992 63.546000 Cu 0.00508345 0.346026 0.5 315 63.546 0.00160608 -3.51213 63.546000 Cu 0.22549 0.335742 2.43825e-16 318 63.546 0.00263577 -3.50942 63.546000 Cu 0.244803 0.3009 7.94297e-18 321 63.546 0.000607998 -3.51074 63.546000 Cu 0.38474 0.306136 1.19385e-16 322 63.546 0.00086365 -3.51228 63.546000 Cu 0.305177 0.321013 0.5 324 63.546 0.000506401 -3.51162 63.546000 Cu 0.365239 0.341223 1.01285e-15 349 63.546 0.00333006 -3.513 63.546000 Cu 0.505083 0.346026 1.18663e-16 350 63.546 0.00160608 -3.51213 63.546000 Cu 0.444894 0.326169 0.5 351 63.546 0.00207696 -3.51275 63.546000 Cu 0.524702 0.311026 5.72375e-16 353 63.546 0.000389056 -3.5119 63.546000 Cu 0.585105 0.330787 0.5 356 63.546 0.00114085 -3.51064 63.546000 Cu 0.66503 0.315766 1 354 63.546 0.00185005 -3.50992 63.546000 Cu 0.744803 0.3009 0.5 360 63.546 0.000607998 -3.51074 63.546000 Cu 0.72549 0.335742 0.5 381 63.546 0.00263577 -3.50942 63.546000 Cu 0.805177 0.321013 1 383 63.546 0.000506401 -3.51162 63.546000 Cu 0.944894 0.326169 5.97648e-16 286 63.546 0.00207696 -3.51275 63.546000 Cu 0.88474 0.306136 0.5 287 63.546 0.00086365 -3.51228 63.546000 Cu 0.865239 0.341223 0.5 288 63.546 0.00333006 -3.513 63.546000 Cu 0.0655189 0.365607 4.89576e-16 314 63.546 0.00334611 -3.50982 63.546000 Cu 0.14565 0.350501 0.5 320 63.546 0.00777461 -3.50807 63.546000 Cu 0.126386 0.385069 0.5 343 63.546 0.0289842 -3.50431 63.546000 Cu 0.206307 0.37046 3.36974e-18 345 63.546 0.0132769 -3.50597 63.546000 Cu 0.345696 0.376462 1 346 63.546 0.0136371 -3.51366 63.546000 Cu 0.285763 0.356021 0.5 347 63.546 0.00211367 -3.51117 63.546000 Cu 0.2667 0.391116 0.5 348 63.546 0.0105933 -3.50885 63.546000 Cu 0.405542 0.396678 0.5 373 63.546 0.0252708 -3.51372 63.546000 Cu 0.425239 0.361325 0.5 352 63.546 0.00750902 -3.51345 63.546000 Cu 0.485402 0.381067 1 375 63.546 0.00492065 -3.51221 63.546000 Cu 0.565519 0.365607 0.5 377 63.546 0.00334611 -3.50982 63.546000 Cu 0.626386 0.385069 1.40085e-16 376 63.546 0.0289842 -3.50431 63.546000 Cu 0.64565 0.350501 3.91372e-16 379 63.546 0.00777461 -3.50807 63.546000 Cu 0.785763 0.356021 7.94297e-18 380 63.546 0.00211367 -3.51117 63.546000 Cu 0.706307 0.37046 0.5 382 63.546 0.0132769 -3.50597 63.546000 Cu 0.7667 0.391116 1 397 63.546 0.0105933 -3.50885 63.546000 Cu 0.905542 0.396678 3.10979e-16 311 63.546 0.0252708 -3.51372 63.546000 Cu 0.845696 0.376462 0.5 312 63.546 0.0136371 -3.51366 63.546000 Cu 0.925239 0.361325 1.42179e-15 313 63.546 0.00750902 -3.51345 63.546000 Cu 0.985402 0.381067 0.5 316 63.546 0.00492065 -3.51221 63.546000 Cu 0.0262643 0.435054 7.94297e-18 338 63.546 0.0215032 -3.50403 63.546000 Cu 0.0460247 0.400372 1 341 63.546 0.00915448 -3.50814 63.546000 Cu 0.187499 0.404933 1 342 63.546 0.0708745 -3.4935 63.546000 Cu 0.107211 0.419343 0.5 344 63.546 0.106042 -3.49559 63.546000 Cu 0.169002 0.438733 1.06123e-15 367 63.546 0.462539 -3.44279 63.546000 Cu 0.306527 0.448226 2.60914e-16 368 63.546 0.268893 -3.48706 63.546000 Cu 0.248118 0.426487 0.5 369 63.546 0.0715309 -3.49366 63.546000 Cu 0.326216 0.411985 1 371 63.546 0.0518601 -3.51328 63.546000 Cu 0.385624 0.432471 0.5 374 63.546 0.0870569 -3.50755 63.546000 Cu 0.46556 0.416259 7.94297e-18 372 63.546 0.0172039 -3.51029 63.546000 Cu 0.546025 0.400372 0.5 378 63.546 0.00915448 -3.50814 63.546000 Cu 0.526264 0.435054 0.5 391 63.546 0.0215032 -3.50403 63.546000 Cu 0.607211 0.419343 7.94297e-18 393 63.546 0.106042 -3.49559 63.546000 Cu 0.748118 0.426487 1.14595e-15 394 63.546 0.0715309 -3.49366 63.546000 Cu 0.687499 0.404933 0.5 395 63.546 0.0708745 -3.4935 63.546000 Cu 0.669002 0.438733 0.5 396 63.546 0.462539 -3.44279 63.546000 Cu 0.806527 0.448226 0.5 5 63.546 0.268893 -3.48706 63.546000 Cu 0.885624 0.432471 4.50342e-16 337 63.546 0.0870569 -3.50755 63.546000 Cu 0.96556 0.416259 0.5 339 63.546 0.0172039 -3.51029 63.546000 Cu 0.826216 0.411985 0.5 398 63.546 0.0518601 -3.51328 63.546000 Cu 0.148736 0.471247 7.94297e-18 364 63.546 7.25355 -3.22733 63.546000 Cu 0.0875471 0.45321 0.5 365 63.546 0.405399 -3.47224 63.546000 Cu 0.0769409 0.487335 0.5 366 63.546 3.42704 -3.43701 63.546000 Cu 0.00810628 0.469896 7.35808e-16 363 63.546 0.184607 -3.50349 63.546000 Cu 0.230935 0.462685 0.5 370 63.546 5.59158 -3.3827 63.546000 Cu 0.2853 0.487364 9.21143e-16 385 63.546 4.68808 -3.46875 63.546000 Cu 0.366552 0.469107 0.5 387 63.546 0.428321 -3.47581 63.546000 Cu 0.576941 0.487335 6.05591e-16 202 63.546 3.42704 -3.43701 63.546000 Cu 0.433754 0.487362 1 386 63.546 0.358386 -3.49983 63.546000 Cu 0.445751 0.451664 1 389 63.546 0.0616585 -3.49767 63.546000 Cu 0.587547 0.45321 1.22081e-15 390 63.546 0.405399 -3.47224 63.546000 Cu 0.508106 0.469896 0.5 392 63.546 0.184607 -3.50349 63.546000 Cu 0.7853 0.487364 0.5 3 63.546 4.68808 -3.46875 63.546000 Cu 0.730935 0.462685 1.21744e-15 16 63.546 5.59158 -3.3827 63.546000 Cu 0.648736 0.471247 0.5 34 63.546 7.25355 -3.22733 63.546000 Cu 0.866552 0.469107 1 336 63.546 0.428321 -3.47581 63.546000 Cu 0.945751 0.451664 0.5 340 63.546 0.0616585 -3.49767 63.546000 Cu 0.933754 0.487362 0.5 362 63.546 0.358386 -3.49983 63.546000 Cu 0.00977755 0.504804 9.8228e-16 1 63.546 0.168144 -3.50057 63.546000 Cu 0.0903937 0.521419 0.5 2 63.546 0.377945 -3.47061 63.546000 Cu 0.0302948 0.539592 8.65783e-16 9 63.546 0.0221522 -3.50096 63.546000 Cu 0.150733 0.503276 1 32 63.546 7.25364 -3.23661 63.546000 Cu 0.172828 0.5358 1 33 63.546 0.403343 -3.45135 63.546000 Cu 0.232967 0.512171 0.5 384 63.546 5.65311 -3.38924 63.546000 Cu 0.309846 0.526495 1 35 63.546 0.26021 -3.48808 63.546000 Cu 0.252598 0.548184 0.5 38 63.546 0.0597501 -3.4979 63.546000 Cu 0.368289 0.50563 0.5 388 63.546 0.41992 -3.47276 63.546000 Cu 0.389846 0.542207 0.5 37 63.546 0.085018 -3.50597 63.546000 Cu 0.448822 0.523033 1 14 63.546 0.0556405 -3.49415 63.546000 Cu 0.509778 0.504804 0.5 15 63.546 0.168144 -3.50057 63.546000 Cu 0.530295 0.539592 0.5 20 63.546 0.0221522 -3.50096 63.546000 Cu 0.590394 0.521419 1.20829e-16 17 63.546 0.377945 -3.47061 63.546000 Cu 0.732967 0.512171 9.14404e-16 195 63.546 5.65311 -3.38924 63.546000 Cu 0.650733 0.503276 0.5 4 63.546 7.25364 -3.23661 63.546000 Cu 0.672828 0.5358 0.5 19 63.546 0.403343 -3.45135 63.546000 Cu 0.752598 0.548184 7.22088e-17 21 63.546 0.0597501 -3.4979 63.546000 Cu 0.889846 0.542207 7.33882e-16 6 63.546 0.085018 -3.50597 63.546000 Cu 0.948822 0.523033 0.5 7 63.546 0.0556405 -3.49415 63.546000 Cu 0.809846 0.526495 0.5 8 63.546 0.26021 -3.48808 63.546000 Cu 0.868289 0.50563 7.94297e-18 361 63.546 0.41992 -3.47276 63.546000 Cu 0.0522034 0.574228 1.2444e-16 10 63.546 0.00950043 -3.5067 63.546000 Cu 0.112235 0.555242 0.5 11 63.546 0.10001 -3.49541 63.546000 Cu 0.133376 0.589472 0.5 13 63.546 0.0259896 -3.50422 63.546000 Cu 0.193387 0.569624 7.94297e-18 58 63.546 0.0643455 -3.4964 63.546000 Cu 0.33169 0.562636 2.46473e-16 36 63.546 0.0510663 -3.51384 63.546000 Cu 0.273317 0.583485 0.5 60 63.546 0.00938126 -3.51025 63.546000 Cu 0.353196 0.598125 1.21551e-16 61 63.546 0.0128443 -3.51384 63.546000 Cu 0.470864 0.558379 7.94297e-18 39 63.546 0.0156379 -3.50828 63.546000 Cu 0.492674 0.593519 2.88835e-16 40 63.546 0.00452494 -3.51117 63.546000 Cu 0.552203 0.574228 0.5 41 63.546 0.00950043 -3.5067 63.546000 Cu 0.411932 0.577934 0.5 42 63.546 0.0246773 -3.51308 63.546000 Cu 0.612235 0.555242 3.83429e-16 18 63.546 0.10001 -3.49541 63.546000 Cu 0.773317 0.583485 5.70931e-16 22 63.546 0.00938126 -3.51025 63.546000 Cu 0.693387 0.569624 0.5 24 63.546 0.0643455 -3.4964 63.546000 Cu 0.633376 0.589472 2.09405e-17 43 63.546 0.0259896 -3.50422 63.546000 Cu 0.992674 0.593519 0.5 27 63.546 0.00452494 -3.51117 63.546000 Cu 0.970864 0.558379 0.5 12 63.546 0.0156379 -3.50828 63.546000 Cu 0.83169 0.562636 0.5 23 63.546 0.0510663 -3.51384 63.546000 Cu 0.911932 0.577934 1.58378e-16 25 63.546 0.0246773 -3.51308 63.546000 Cu 0.853196 0.598125 0.5 28 63.546 0.0128443 -3.51384 63.546000 Cu 0.0735591 0.608957 1.24681e-16 29 63.546 0.00345396 -3.50925 63.546000 Cu 0.0945425 0.643739 1 30 63.546 0.000970634 -3.51035 63.546000 Cu 0.013949 0.628549 0.5 31 63.546 0.00138288 -3.51169 63.546000 Cu 0.154312 0.624029 0.5 82 63.546 0.00686799 -3.50827 63.546000 Cu 0.214034 0.604075 1 59 63.546 0.0114434 -3.50702 63.546000 Cu 0.374297 0.633331 3.81503e-16 62 63.546 0.00328564 -3.51299 63.546000 Cu 0.294225 0.618534 0.5 64 63.546 0.0020179 -3.51162 63.546000 Cu 0.234759 0.638782 5.36752e-16 83 63.546 0.00240725 -3.5098 63.546000 Cu 0.573559 0.608957 0.5 46 63.546 0.00345396 -3.50925 63.546000 Cu 0.433467 0.613247 0.5 63 63.546 0.00728151 -3.51311 63.546000 Cu 0.513949 0.628549 3.01111e-16 65 63.546 0.00138288 -3.51169 63.546000 Cu 0.454516 0.64839 0.5 68 63.546 0.00173642 -3.51277 63.546000 Cu 0.594543 0.643739 0.5 67 63.546 0.000970634 -3.51035 63.546000 Cu 0.654312 0.624029 1 44 63.546 0.00686799 -3.50827 63.546000 Cu 0.714034 0.604075 0.5 45 63.546 0.0114434 -3.50702 63.546000 Cu 0.734759 0.638782 0.5 50 63.546 0.00240725 -3.5098 63.546000 Cu 0.794225 0.618534 2.50083e-16 47 63.546 0.0020179 -3.51162 63.546000 Cu 0.933467 0.613247 7.94297e-18 26 63.546 0.00728151 -3.51311 63.546000 Cu 0.874297 0.633331 0.5 49 63.546 0.00328564 -3.51299 63.546000 Cu 0.954516 0.64839 2.48398e-16 51 63.546 0.00173642 -3.51277 63.546000 Cu 0.0348294 0.663522 0.5 53 63.546 0.000384794 -3.51181 63.546000 Cu 0.115111 0.678595 7.94297e-18 55 63.546 0.000257285 -3.51094 63.546000 Cu 0.0553475 0.69846 0.5 57 63.546 0.00018145 -3.51165 63.546000 Cu 0.174977 0.658753 0.5 86 63.546 0.00164475 -3.51005 63.546000 Cu 0.195453 0.693556 0.5 108 63.546 0.000253152 -3.51063 63.546000 Cu 0.255258 0.673609 1 84 63.546 0.000547074 -3.51068 63.546000 Cu 0.314928 0.653515 0.5 85 63.546 0.000561238 -3.51174 63.546000 Cu 0.335364 0.688466 0.5 90 63.546 0.000183901 -3.51171 63.546000 Cu 0.395013 0.668413 1.18663e-16 87 63.546 0.000706047 -3.51254 63.546000 Cu 0.534829 0.663522 7.94297e-18 66 63.546 0.000384794 -3.51181 63.546000 Cu 0.475134 0.683439 0.5 89 63.546 0.000284077 -3.51227 63.546000 Cu 0.555348 0.69846 7.28827e-16 91 63.546 0.00018145 -3.51165 63.546000 Cu 0.674977 0.658753 1.44418e-18 69 63.546 0.00164475 -3.51005 63.546000 Cu 0.695453 0.693556 7.94297e-18 70 63.546 0.000253152 -3.51063 63.546000 Cu 0.755258 0.673609 0.5 71 63.546 0.000547074 -3.51068 63.546000 Cu 0.615111 0.678595 0.5 72 63.546 0.000257285 -3.51094 63.546000 Cu 0.814928 0.653515 1 48 63.546 0.000561238 -3.51174 63.546000 Cu 0.975134 0.683439 1 52 63.546 0.000284077 -3.51227 63.546000 Cu 0.895013 0.668413 0.5 54 63.546 0.000706047 -3.51254 63.546000 Cu 0.835364 0.688466 1 73 63.546 0.000183901 -3.51171 63.546000 Cu 0.135617 0.713462 1.25884e-16 56 63.546 6.09529e-05 -3.5111 63.546000 Cu 0.0758974 0.733405 0.5 79 63.546 9.84562e-05 -3.5117 63.546000 Cu 0.156066 0.748351 1 132 63.546 0.000140885 -3.51105 63.546000 Cu 0.275653 0.708479 1 109 63.546 0.000102648 -3.51103 63.546000 Cu 0.296104 0.743361 2.45751e-16 110 63.546 5.14479e-05 -3.51104 63.546000 Cu 0.35586 0.72343 0.5 111 63.546 6.81749e-05 -3.51168 63.546000 Cu 0.215876 0.728413 0.5 112 63.546 2.0593e-06 -3.51076 63.546000 Cu 0.415523 0.703437 1.83362e-15 88 63.546 3.90834e-05 -3.51221 63.546000 Cu 0.575897 0.733405 7.94297e-18 92 63.546 9.84562e-05 -3.5117 63.546000 Cu 0.495718 0.718428 0.5 94 63.546 1.64706e-05 -3.51207 63.546000 Cu 0.436064 0.738417 1 113 63.546 5.82573e-05 -3.51209 63.546000 Cu 0.775653 0.708479 0.5 76 63.546 0.000102648 -3.51103 63.546000 Cu 0.635617 0.713462 0.5 93 63.546 6.09529e-05 -3.5111 63.546000 Cu 0.715876 0.728413 1 95 63.546 2.0593e-06 -3.51076 63.546000 Cu 0.656066 0.748351 0.5 98 63.546 0.000140885 -3.51105 63.546000 Cu 0.796104 0.743361 0.5 97 63.546 5.14479e-05 -3.51104 63.546000 Cu 0.995718 0.718428 1.22514e-16 77 63.546 1.64706e-05 -3.51207 63.546000 Cu 0.85586 0.72343 2.88835e-18 74 63.546 6.81749e-05 -3.51168 63.546000 Cu 0.915523 0.703437 0.5 75 63.546 3.90834e-05 -3.51221 63.546000 Cu 0.936064 0.738417 0.5 80 63.546 5.82573e-05 -3.51209 63.546000 Cu 0.016235 0.753429 2.19274e-16 78 63.546 0.000199152 -3.51212 63.546000 Cu 0.0962931 0.768369 0.5 81 63.546 0.000167615 -3.51161 63.546000 Cu 0.0365009 0.788449 4.26032e-16 103 63.546 0.000852248 -3.51245 63.546000 Cu 0.176324 0.783228 1 133 63.546 0.000632252 -3.51073 63.546000 Cu 0.376366 0.758366 0.5 116 63.546 0.000138137 -3.51162 63.546000 Cu 0.236298 0.763276 0.5 134 63.546 0.000266679 -3.51067 63.546000 Cu 0.316517 0.778242 1 135 63.546 0.000398798 -3.51104 63.546000 Cu 0.25638 0.798103 0.5 138 63.546 0.00153293 -3.50999 63.546000 Cu 0.396653 0.793331 0.5 137 63.546 0.000380234 -3.512 63.546000 Cu 0.456527 0.773419 4.90298e-16 114 63.546 0.000457571 -3.5122 63.546000 Cu 0.516235 0.753429 0.5 115 63.546 0.000199152 -3.51212 63.546000 Cu 0.536501 0.788449 0.5 120 63.546 0.000852248 -3.51245 63.546000 Cu 0.596293 0.768369 1 117 63.546 0.000167615 -3.51161 63.546000 Cu 0.736298 0.763276 1 96 63.546 0.000266679 -3.51067 63.546000 Cu 0.676324 0.783228 0.5 119 63.546 0.000632252 -3.51073 63.546000 Cu 0.75638 0.798103 2.47435e-16 121 63.546 0.00153293 -3.50999 63.546000 Cu 0.876366 0.758366 1.79318e-16 99 63.546 0.000138137 -3.51162 63.546000 Cu 0.896653 0.793331 1.23477e-16 100 63.546 0.000380234 -3.512 63.546000 Cu 0.956527 0.773419 0.5 101 63.546 0.000457571 -3.5122 63.546000 Cu 0.816517 0.778242 0.5 102 63.546 0.000398798 -3.51104 63.546000 Cu 0.0566335 0.82356 7.94297e-18 104 63.546 0.00346891 -3.51303 63.546000 Cu 0.116375 0.803341 0.5 105 63.546 0.000488038 -3.51174 63.546000 Cu 0.136432 0.838355 0.5 107 63.546 0.00181515 -3.51143 63.546000 Cu 0.196305 0.818073 1 158 63.546 0.00271121 -3.50964 63.546000 Cu 0.33662 0.813118 7.45917e-16 136 63.546 0.00116161 -3.51066 63.546000 Cu 0.276441 0.832845 0.5 160 63.546 0.00750625 -3.50841 63.546000 Cu 0.356894 0.847966 1 161 63.546 0.00317783 -3.50961 63.546000 Cu 0.476681 0.808495 1 139 63.546 0.00203522 -3.51281 63.546000 Cu 0.497033 0.843669 6.17144e-16 140 63.546 0.00744005 -3.5132 63.546000 Cu 0.556633 0.82356 0.5 141 63.546 0.00346891 -3.51303 63.546000 Cu 0.416901 0.828353 0.5 142 63.546 0.00141115 -3.512 63.546000 Cu 0.616375 0.803341 1 118 63.546 0.000488038 -3.51174 63.546000 Cu 0.776441 0.832845 1.23718e-16 122 63.546 0.00750625 -3.50841 63.546000 Cu 0.696305 0.818073 0.5 124 63.546 0.00271121 -3.50964 63.546000 Cu 0.636432 0.838355 7.37733e-16 143 63.546 0.00181515 -3.51143 63.546000 Cu 0.997033 0.843669 0.5 127 63.546 0.00744005 -3.5132 63.546000 Cu 0.976681 0.808495 0.5 106 63.546 0.00203522 -3.51281 63.546000 Cu 0.83662 0.813118 0.5 123 63.546 0.00116161 -3.51066 63.546000 Cu 0.916901 0.828353 1.19626e-16 125 63.546 0.00141115 -3.512 63.546000 Cu 0.856894 0.847966 0.5 128 63.546 0.00317783 -3.50961 63.546000 Cu 0.0769712 0.85879 7.94297e-18 129 63.546 0.0125871 -3.51354 63.546000 Cu 0.0976667 0.894319 1.22755e-16 130 63.546 0.0493675 -3.51349 63.546000 Cu 0.0177863 0.879024 0.5 131 63.546 0.0255518 -3.51329 63.546000 Cu 0.156468 0.873443 0.5 180 63.546 0.00945094 -3.5097 63.546000 Cu 0.216255 0.852822 1.27569e-17 159 63.546 0.0120808 -3.5069 63.546000 Cu 0.377381 0.88273 1 162 63.546 0.00924613 -3.50744 63.546000 Cu 0.296599 0.86744 0.5 164 63.546 0.0275718 -3.50464 63.546000 Cu 0.236126 0.887324 1 181 63.546 0.0650421 -3.49616 63.546000 Cu 0.576971 0.85879 0.5 146 63.546 0.0125871 -3.51354 63.546000 Cu 0.437413 0.863424 0.5 163 63.546 0.00505214 -3.51161 63.546000 Cu 0.517786 0.879024 1 165 63.546 0.0255518 -3.51329 63.546000 Cu 0.458433 0.898617 0.5 168 63.546 0.0167285 -3.50914 63.546000 Cu 0.597667 0.894319 0.5 167 63.546 0.0493675 -3.51349 63.546000 Cu 0.656468 0.873443 1 144 63.546 0.00945094 -3.5097 63.546000 Cu 0.716255 0.852822 0.5 145 63.546 0.0120808 -3.5069 63.546000 Cu 0.736126 0.887324 0.5 150 63.546 0.0650421 -3.49616 63.546000 Cu 0.796599 0.86744 1 147 63.546 0.0275718 -3.50464 63.546000 Cu 0.937413 0.863424 8.58803e-16 126 63.546 0.00505214 -3.51161 63.546000 Cu 0.877381 0.88273 0.5 149 63.546 0.00924613 -3.50744 63.546000 Cu 0.958433 0.898617 6.92482e-16 151 63.546 0.0167285 -3.50914 63.546000 Cu 0.0391517 0.914806 0.5 153 63.546 0.0867158 -3.50623 63.546000 Cu 0.118928 0.930527 2.40696e-18 155 63.546 0.260755 -3.48723 63.546000 Cu 0.176441 0.908807 0.5 184 63.546 0.0623077 -3.4965 63.546000 Cu 0.195554 0.944894 0.5 196 63.546 5.64265 -3.3871 63.546000 Cu 0.255988 0.921181 2.45751e-16 182 63.546 0.416838 -3.44961 63.546000 Cu 0.316938 0.901736 0.5 183 63.546 0.101506 -3.49596 63.546000 Cu 0.33827 0.935584 0.5 188 63.546 0.385325 -3.47068 63.546000 Cu 0.398579 0.917418 7.94297e-18 185 63.546 0.0212967 -3.5018 63.546000 Cu 0.539152 0.914806 1.8885e-15 166 63.546 0.0867158 -3.50623 63.546000 Cu 0.479932 0.933999 0.5 187 63.546 0.0569032 -3.49456 63.546000 Cu 0.676441 0.908807 5.23273e-16 169 63.546 0.0623077 -3.4965 63.546000 Cu 0.695554 0.944894 1.18422e-16 170 63.546 5.64265 -3.3871 63.546000 Cu 0.755988 0.921181 0.5 171 63.546 0.416838 -3.44961 63.546000 Cu 0.618928 0.930527 0.5 172 63.546 0.260755 -3.48723 63.546000 Cu 0.816938 0.901736 1.56452e-17 148 63.546 0.101506 -3.49596 63.546000 Cu 0.979932 0.933999 7.94297e-18 152 63.546 0.0569032 -3.49456 63.546000 Cu 0.898579 0.917418 0.5 154 63.546 0.0212967 -3.5018 63.546000 Cu 0.83827 0.935584 4.57322e-18 173 63.546 0.385325 -3.47068 63.546000 Cu 0.0602151 0.951408 0.5 157 63.546 0.422304 -3.47281 63.546000 Cu 0.142788 0.969711 1 156 63.546 4.68974 -3.46709 63.546000 Cu 0.0612434 0.987962 0.5 178 63.546 0.430788 -3.47496 63.546000 Cu 0.196803 0.99446 0.5 200 63.546 5.6331 -3.38372 63.546000 Cu 0.277814 0.953701 1 197 63.546 7.2526 -3.23526 63.546000 Cu 0.278928 0.98576 1.26606e-16 198 63.546 7.26103 -3.23098 63.546000 Cu 0.351247 0.969687 0.5 199 63.546 3.47275 -3.43755 63.546000 Cu 0.560215 0.951408 1 189 63.546 0.422304 -3.47281 63.546000 Cu 0.41874 0.952227 7.32679e-16 186 63.546 0.174 -3.50098 63.546000 Cu 0.561243 0.987962 3.70912e-16 190 63.546 0.430788 -3.47496 63.546000 Cu 0.494414 0.969688 0.5 192 63.546 0.360562 -3.49977 63.546000 Cu 0.419708 0.987163 1 201 63.546 0.181174 -3.50297 63.546000 Cu 0.777814 0.953701 0.5 176 63.546 7.2526 -3.23526 63.546000 Cu 0.642788 0.969711 0.5 191 63.546 4.68974 -3.46709 63.546000 Cu 0.696803 0.99446 1.25643e-16 193 63.546 5.6331 -3.38372 63.546000 Cu 0.778928 0.98576 0.5 194 63.546 7.26103 -3.23098 63.546000 Cu 0.994414 0.969688 1 177 63.546 0.360562 -3.49977 63.546000 Cu 0.851247 0.969687 2.53212e-16 174 63.546 3.47275 -3.43755 63.546000 Cu 0.91874 0.952227 0.5 175 63.546 0.174 -3.50098 63.546000 Cu 0.919708 0.987163 0.5 179 63.546 0.181174 -3.50297