Number of particles = 396 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.1825 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 72.7879 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.62297 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 0.0283859 0.0434904 2.51855e-16 209 63.546 0.0126114 -3.41926 63.546000 Cu 0.0496011 0.00794249 3.9119e-16 212 63.546 0.0387391 -3.41165 63.546000 Cu 0.189615 0.0108627 3.54321e-17 213 63.546 0.387056 -3.39406 63.546000 Cu 0.109005 0.0269014 0.5 214 63.546 0.123646 -3.41351 63.546000 Cu 0.168268 0.0473761 1.20182e-16 226 63.546 0.104261 -3.42059 63.546000 Cu 0.246625 0.0332507 0.5 228 63.546 0.0451539 -3.4037 63.546000 Cu 0.306436 0.0548617 1.34067e-16 227 63.546 0.0676301 -3.41408 63.546000 Cu 0.324899 0.0206372 2.418e-16 230 63.546 0.394336 -3.38995 63.546000 Cu 0.467672 0.0247086 5.74575e-18 231 63.546 0.0289954 -3.4172 63.546000 Cu 0.407488 0.00642515 0.5 232 63.546 0.389534 -3.40687 63.546000 Cu 0.386907 0.040559 0.5 233 63.546 0.132196 -3.41715 63.546000 Cu 0.549646 0.00804596 0.5 234 63.546 0.0376825 -3.41227 63.546000 Cu 0.528369 0.0435644 0.5 254 63.546 0.0111873 -3.41961 63.546000 Cu 0.609046 0.0270352 1 256 63.546 0.11574 -3.41409 63.546000 Cu 0.746757 0.0333527 2.87287e-18 257 63.546 0.0423942 -3.4045 63.546000 Cu 0.689659 0.011019 0.5 258 63.546 0.374294 -3.3936 63.546000 Cu 0.668365 0.0474768 0.5 259 63.546 0.101161 -3.42118 63.546000 Cu 0.907504 0.00643569 3.54321e-17 203 63.546 0.389353 -3.40723 63.546000 Cu 0.825022 0.0206984 0.5 204 63.546 0.387942 -3.3912 63.546000 Cu 0.806559 0.0549256 0.5 206 63.546 0.0686737 -3.41423 63.546000 Cu 0.886988 0.0405875 3.54321e-17 208 63.546 0.134338 -3.41693 63.546000 Cu 0.96772 0.0246787 0.5 210 63.546 0.029185 -3.41679 63.546000 Cu 0.148319 0.0833163 1.71894e-16 223 63.546 0.0281416 -3.42249 63.546000 Cu 0.0886058 0.0629443 0.5 224 63.546 0.048212 -3.42131 63.546000 Cu 0.0687708 0.098628 0.5 225 63.546 0.0161619 -3.42333 63.546000 Cu 0.227332 0.0687741 0.5 229 63.546 0.0103081 -3.41793 63.546000 Cu 0.208149 0.104079 0.5 246 63.546 0.0026594 -3.4213 63.546000 Cu 0.00842976 0.0789178 1.43165e-16 222 63.546 0.00517095 -3.42124 63.546000 Cu 0.287575 0.0896155 0 248 63.546 0.014501 -3.41946 63.546000 Cu 0.428224 0.0946362 1.40771e-16 249 63.546 0.0084891 -3.42065 63.546000 Cu 0.367457 0.0750375 0.5 250 63.546 0.0398757 -3.41915 63.546000 Cu 0.348144 0.109799 0.5 251 63.546 0.0124364 -3.42068 63.546000 Cu 0.447835 0.059705 3.54321e-17 252 63.546 0.0197337 -3.41821 63.546000 Cu 0.508413 0.0789434 0.5 255 63.546 0.00475678 -3.42131 63.546000 Cu 0.588675 0.0630131 1.58487e-16 253 63.546 0.0469552 -3.42168 63.546000 Cu 0.568739 0.0986427 3.54321e-17 280 63.546 0.0166962 -3.42346 63.546000 Cu 0.708161 0.104138 1.86737e-17 281 63.546 0.00228999 -3.42133 63.546000 Cu 0.648386 0.0833702 0.5 282 63.546 0.0276618 -3.42273 63.546000 Cu 0.727442 0.0688541 4.06991e-17 284 63.546 0.00934105 -3.4181 63.546000 Cu 0.867534 0.0750624 0 205 63.546 0.0396505 -3.41897 63.546000 Cu 0.787654 0.0896751 0.5 207 63.546 0.0155616 -3.41952 63.546000 Cu 0.947887 0.0596881 0.5 211 63.546 0.0196415 -3.41798 63.546000 Cu 0.848198 0.109828 1.70457e-16 218 63.546 0.0119976 -3.42078 63.546000 Cu 0.928295 0.0946382 0.5 220 63.546 0.00807509 -3.42065 63.546000 Cu 0.10884 0.154252 1.13957e-16 241 63.546 0.00284389 -3.423 63.546000 Cu 0.0490291 0.134107 0.5 242 63.546 0.00451412 -3.42332 63.546000 Cu 0.12875 0.118886 1.20182e-16 244 63.546 0.00808755 -3.42319 63.546000 Cu 0.188665 0.139315 0.5 247 63.546 0.00106036 -3.42221 63.546000 Cu 0.248558 0.159602 0 272 63.546 0.00112098 -3.4217 63.546000 Cu 0.268373 0.124576 0 245 63.546 0.00401306 -3.42119 63.546000 Cu 0.388636 0.164648 7.08642e-17 273 63.546 0.000998418 -3.42202 63.546000 Cu 0.328579 0.144705 0.5 274 63.546 0.00343925 -3.42143 63.546000 Cu 0.408707 0.129616 3.54321e-17 276 63.546 0.00304969 -3.42171 63.546000 Cu 0.488791 0.114208 0.5 278 63.546 0.00195493 -3.42239 63.546000 Cu 0.468905 0.149425 0.5 279 63.546 0.000886245 -3.42263 63.546000 Cu 0.548971 0.134078 3.54321e-17 277 63.546 0.00516754 -3.4234 63.546000 Cu 0.628714 0.118901 0.5 283 63.546 0.00810398 -3.42321 63.546000 Cu 0.608783 0.154249 0.5 306 63.546 0.00273257 -3.42311 63.546000 Cu 0.688652 0.139348 3.54321e-17 308 63.546 0.000942665 -3.42221 63.546000 Cu 0.748531 0.159646 0.5 309 63.546 0.00118744 -3.4218 63.546000 Cu 0.828622 0.144761 0 216 63.546 0.00374662 -3.42163 63.546000 Cu 0.768362 0.124624 0.5 217 63.546 0.0042164 -3.42123 63.546000 Cu 0.988829 0.114223 9.91142e-17 219 63.546 0.00190942 -3.42252 63.546000 Cu 0.908753 0.129652 0.5 221 63.546 0.00301821 -3.42196 63.546000 Cu 0.888662 0.164716 0.5 238 63.546 0.00126807 -3.4221 63.546000 Cu 0.968968 0.149479 6.8949e-17 240 63.546 0.000896125 -3.42267 63.546000 Cu 0.0286721 0.169438 0.5 243 63.546 0.000859598 -3.42287 63.546000 Cu 0.0882175 0.189512 3.54321e-17 268 63.546 0.000717561 -3.42289 63.546000 Cu 0.228081 0.194649 1 269 63.546 0.00013784 -3.42201 63.546000 Cu 0.168419 0.174485 0.5 270 63.546 0.000436037 -3.4224 63.546000 Cu 0.14794 0.209626 0.5 271 63.546 0.00040242 -3.42259 63.546000 Cu 0.00802003 0.204678 0.5 266 63.546 9.50461e-05 -3.42292 63.546000 Cu 0.308285 0.179691 0.5 275 63.546 0.000607792 -3.42183 63.546000 Cu 0.287959 0.214739 0.5 298 63.546 7.4456e-05 -3.42216 63.546000 Cu 0.368095 0.199732 1.06296e-16 300 63.546 0.000347939 -3.42241 63.546000 Cu 0.44834 0.184604 0.5 302 63.546 0.000173358 -3.42266 63.546000 Cu 0.427936 0.219788 0.5 303 63.546 0.000170509 -3.4228 63.546000 Cu 0.508052 0.204645 6.94278e-17 301 63.546 8.21604e-05 -3.42292 63.546000 Cu 0.52864 0.169394 1.0486e-16 304 63.546 0.00109991 -3.42301 63.546000 Cu 0.66835 0.174507 0 305 63.546 0.000393659 -3.42243 63.546000 Cu 0.588193 0.189509 0.5 307 63.546 0.000641775 -3.42287 63.546000 Cu 0.647895 0.209643 3.54321e-17 332 63.546 0.000356862 -3.42247 63.546000 Cu 0.72803 0.194692 0.5 333 63.546 0.000161045 -3.42202 63.546000 Cu 0.787877 0.214793 1 235 63.546 0.000106025 -3.42214 63.546000 Cu 0.808269 0.179752 3.54321e-17 236 63.546 0.000743026 -3.42187 63.546000 Cu 0.94834 0.18467 1 237 63.546 0.000202835 -3.42255 63.546000 Cu 0.868025 0.199796 0.5 239 63.546 0.000514502 -3.42234 63.546000 Cu 0.927868 0.219844 1 264 63.546 0.000267306 -3.42278 63.546000 Cu 0.0677801 0.224739 0 265 63.546 0.000191176 -3.42292 63.546000 Cu 0.0477164 0.259935 3.54321e-17 292 63.546 0.000162408 -3.42275 63.546000 Cu 0.187888 0.264767 1 293 63.546 0.00141384 -3.42203 63.546000 Cu 0.127773 0.24476 0.5 294 63.546 0.000463493 -3.42241 63.546000 Cu 0.207825 0.229716 3.54321e-17 296 63.546 0.000262272 -3.42216 63.546000 Cu 0.3478 0.234859 3.54321e-17 297 63.546 0.000314085 -3.42251 63.546000 Cu 0.267906 0.249824 0.5 299 63.546 0.00023157 -3.42204 63.546000 Cu 0.327867 0.270024 7.61312e-17 324 63.546 0.000390003 -3.42246 63.546000 Cu 0.467676 0.275148 3.54321e-17 325 63.546 0.0012869 -3.42314 63.546000 Cu 0.407779 0.255011 0.5 326 63.546 0.000589089 -3.42294 63.546000 Cu 0.487702 0.23988 3.54321e-17 328 63.546 0.000202327 -3.42294 63.546000 Cu 0.627692 0.244778 2.44194e-17 329 63.546 0.000470493 -3.42243 63.546000 Cu 0.567799 0.224727 0.5 330 63.546 0.000154329 -3.42277 63.546000 Cu 0.547692 0.259927 0.5 331 63.546 0.000189354 -3.42274 63.546000 Cu 0.707766 0.229759 0.5 334 63.546 0.0001603 -3.42222 63.546000 Cu 0.687818 0.264819 0.5 358 63.546 0.000941536 -3.42205 63.546000 Cu 0.767778 0.249875 0 260 63.546 0.000128897 -3.42215 63.546000 Cu 0.907721 0.255046 4.78812e-19 261 63.546 0.000613792 -3.42298 63.546000 Cu 0.847745 0.234916 0.5 262 63.546 0.000331982 -3.42254 63.546000 Cu 0.827793 0.270059 0.5 263 63.546 0.000393365 -3.42239 63.546000 Cu 0.987701 0.239915 0.5 267 63.546 0.000229323 -3.423 63.546000 Cu 0.967626 0.275161 0.5 290 63.546 0.00138987 -3.42317 63.546000 Cu 0.0278144 0.295115 3.54321e-17 289 63.546 0.000566804 -3.42264 63.546000 Cu 0.107789 0.27986 0.5 295 63.546 0.00102732 -3.42207 63.546000 Cu 0.0881901 0.314916 0.5 318 63.546 0.00279418 -3.42169 63.546000 Cu 0.168144 0.299782 1 320 63.546 0.00448005 -3.4217 63.546000 Cu 0.248046 0.284903 0.5 322 63.546 0.00112156 -3.42193 63.546000 Cu 0.228588 0.31994 0.5 323 63.546 0.00425322 -3.42125 63.546000 Cu 0.00823255 0.330342 3.54321e-17 316 63.546 0.00184959 -3.42243 63.546000 Cu 0.308224 0.305213 3.54321e-17 321 63.546 0.000855719 -3.42217 63.546000 Cu 0.387848 0.290299 0.5 327 63.546 0.00258683 -3.42309 63.546000 Cu 0.368203 0.325668 0.5 350 63.546 0.00848674 -3.42312 63.546000 Cu 0.447918 0.310472 1 352 63.546 0.00475713 -3.42338 63.546000 Cu 0.508148 0.330345 0.5 355 63.546 0.00188845 -3.42237 63.546000 Cu 0.588223 0.314944 3.54321e-17 353 63.546 0.00252574 -3.42172 63.546000 Cu 0.527859 0.295118 0.5 354 63.546 0.000514061 -3.42273 63.546000 Cu 0.607823 0.279889 5.55422e-17 356 63.546 0.00088289 -3.42217 63.546000 Cu 0.748035 0.284943 3.54321e-17 357 63.546 0.000877901 -3.4217 63.546000 Cu 0.668209 0.29983 0.5 359 63.546 0.00349038 -3.42159 63.546000 Cu 0.728602 0.319966 1 382 63.546 0.00397548 -3.42123 63.546000 Cu 0.868235 0.32567 4.78812e-19 285 63.546 0.00827534 -3.42318 63.546000 Cu 0.808211 0.305221 0.5 286 63.546 0.00079956 -3.42199 63.546000 Cu 0.887796 0.290308 2.87287e-18 288 63.546 0.00246151 -3.42298 63.546000 Cu 0.947863 0.310473 0.5 291 63.546 0.00506813 -3.42346 63.546000 Cu 0.14885 0.334725 1 317 63.546 0.0128353 -3.42072 63.546000 Cu 0.0688813 0.34991 0.5 319 63.546 0.00830872 -3.42068 63.546000 Cu 0.0494894 0.384857 0.5 342 63.546 0.0198015 -3.41817 63.546000 Cu 0.129738 0.369503 3.54321e-17 344 63.546 0.0395334 -3.41914 63.546000 Cu 0.209526 0.354894 0.5 346 63.546 0.0157224 -3.41933 63.546000 Cu 0.269833 0.375728 1 345 63.546 0.00906338 -3.4177 63.546000 Cu 0.288845 0.340442 1.46995e-16 348 63.546 0.0024797 -3.42102 63.546000 Cu 0.428264 0.345923 3.54321e-17 349 63.546 0.0161368 -3.42348 63.546000 Cu 0.348784 0.361226 0.5 351 63.546 0.0289917 -3.4225 63.546000 Cu 0.408649 0.381598 3.54321e-17 374 63.546 0.0490976 -3.42172 63.546000 Cu 0.488706 0.365646 0.5 376 63.546 0.00522083 -3.42145 63.546000 Cu 0.549475 0.384877 3.54321e-17 375 63.546 0.0191105 -3.41819 63.546000 Cu 0.568759 0.349933 1 378 63.546 0.00798259 -3.42075 63.546000 Cu 0.709472 0.354897 3.0644e-17 379 63.546 0.0155706 -3.41944 63.546000 Cu 0.648752 0.334756 0.5 380 63.546 0.0115633 -3.42072 63.546000 Cu 0.62968 0.36952 0.5 381 63.546 0.0378443 -3.41905 63.546000 Cu 0.788869 0.340436 0.5 287 63.546 0.00236348 -3.42121 63.546000 Cu 0.769837 0.375704 0.5 311 63.546 0.00899289 -3.41781 63.546000 Cu 0.848782 0.361199 3.54321e-17 312 63.546 0.0275965 -3.42264 63.546000 Cu 0.988782 0.36563 0 313 63.546 0.0050826 -3.42141 63.546000 Cu 0.928356 0.345918 0.5 314 63.546 0.0164706 -3.4236 63.546000 Cu 0.908686 0.381573 0.5 315 63.546 0.048664 -3.42192 63.546000 Cu 0.110777 0.403975 1.14915e-17 341 63.546 0.134769 -3.41721 63.546000 Cu 0.0303164 0.419849 0.5 343 63.546 0.0296649 -3.41741 63.546000 Cu 0.190938 0.389658 0.5 347 63.546 0.0685017 -3.4138 63.546000 Cu 0.0909174 0.43812 3.54321e-17 366 63.546 0.398568 -3.40782 63.546000 Cu 0.173133 0.423903 0.5 368 63.546 0.387935 -3.38884 63.546000 Cu 0.251167 0.411265 1 370 63.546 0.0434679 -3.40315 63.546000 Cu 0.388954 0.417617 3.54321e-17 371 63.546 0.12261 -3.41456 63.546000 Cu 0.329239 0.397135 0.5 372 63.546 0.101809 -3.42075 63.546000 Cu 0.308685 0.433624 0.5 373 63.546 0.375129 -3.39426 63.546000 Cu 0.469254 0.401043 0.5 377 63.546 0.0120363 -3.41981 63.546000 Cu 0.448867 0.436588 0.5 389 63.546 0.0379633 -3.41283 63.546000 Cu 0.530375 0.419865 9.57625e-19 391 63.546 0.0294725 -3.41752 63.546000 Cu 0.673155 0.423882 3.54321e-17 392 63.546 0.384151 -3.38965 63.546000 Cu 0.610734 0.403994 0.5 393 63.546 0.129668 -3.417 63.546000 Cu 0.591045 0.43814 0.5 394 63.546 0.385458 -3.40804 63.546000 Cu 0.690884 0.389644 1 395 63.546 0.0682353 -3.41395 63.546000 Cu 0.751158 0.411219 0.5 396 63.546 0.0421411 -3.40355 63.546000 Cu 0.829229 0.397088 3.54321e-17 310 63.546 0.0980699 -3.42095 63.546000 Cu 0.808748 0.433565 3.54321e-17 336 63.546 0.368001 -3.3935 63.546000 Cu 0.948779 0.436575 0 337 63.546 0.0396435 -3.41264 63.546000 Cu 0.88893 0.417576 0.5 338 63.546 0.120931 -3.41472 63.546000 Cu 0.969256 0.401031 8.61862e-18 340 63.546 0.0124027 -3.41983 63.546000 Cu 0.0780949 0.472253 0 363 63.546 3.67706 -3.34808 63.546000 Cu 0.231978 0.447416 4.78812e-17 367 63.546 5.67484 -3.25402 63.546000 Cu 0.152447 0.456462 0.5 369 63.546 7.33888 -3.13992 63.546000 Cu 0.153596 0.488018 0.5 383 63.546 7.32864 -3.14501 63.546000 Cu 0.233375 0.497176 8.52286e-17 384 63.546 5.74058 -3.25554 63.546000 Cu 0.0100556 0.454748 0.5 364 63.546 0.217363 -3.41594 63.546000 Cu 0.0111929 0.489788 0.5 365 63.546 0.193258 -3.41408 63.546000 Cu 0.369132 0.490441 8.13981e-18 385 63.546 0.448694 -3.38888 63.546000 Cu 0.286866 0.472233 0.5 386 63.546 4.72083 -3.39053 63.546000 Cu 0.368262 0.454076 9.57625e-19 387 63.546 0.438899 -3.39239 63.546000 Cu 0.434261 0.472295 0.5 390 63.546 0.483448 -3.41237 63.546000 Cu 0.51116 0.489789 1.20182e-16 201 63.546 0.19785 -3.41403 63.546000 Cu 0.510237 0.45476 1 388 63.546 0.209851 -3.41599 63.546000 Cu 0.733304 0.497173 0.5 3 63.546 5.73707 -3.25549 63.546000 Cu 0.732094 0.447326 0.5 31 63.546 5.7264 -3.25345 63.546000 Cu 0.652673 0.45647 1 192 63.546 7.33116 -3.14171 63.546000 Cu 0.57818 0.472275 0.5 194 63.546 3.70679 -3.34793 63.546000 Cu 0.653509 0.488047 3.54321e-17 199 63.546 7.32316 -3.14475 63.546000 Cu 0.786864 0.472223 0 335 63.546 4.73419 -3.38944 63.546000 Cu 0.86816 0.454053 0.5 339 63.546 0.448473 -3.39216 63.546000 Cu 0.869114 0.490419 0.5 361 63.546 0.451383 -3.38911 63.546000 Cu 0.934199 0.472285 2.10677e-17 362 63.546 0.483863 -3.41237 63.546000 Cu 0.0925893 0.506377 2.418e-16 1 63.546 0.382931 -3.40716 63.546000 Cu 0.175196 0.520613 0.5 2 63.546 0.383995 -3.39199 63.546000 Cu 0.0325607 0.524653 0.5 6 63.546 0.0300247 -3.41675 63.546000 Cu 0.113445 0.54052 1.20182e-16 8 63.546 0.131323 -3.41692 63.546000 Cu 0.194071 0.55485 0.5 10 63.546 0.0692014 -3.41464 63.546000 Cu 0.450452 0.507963 0.5 15 63.546 0.0374513 -3.4115 63.546000 Cu 0.253593 0.533259 1 32 63.546 0.04192 -3.40487 63.546000 Cu 0.310524 0.510899 0.5 33 63.546 0.382325 -3.39296 63.546000 Cu 0.391244 0.526929 3.54321e-17 34 63.546 0.119976 -3.41328 63.546000 Cu 0.472154 0.543493 0.5 36 63.546 0.011883 -3.4192 63.546000 Cu 0.332225 0.547368 0.5 37 63.546 0.105481 -3.42108 63.546000 Cu 0.532592 0.524666 3.54321e-17 13 63.546 0.0295151 -3.41659 63.546000 Cu 0.592531 0.506407 0.5 14 63.546 0.39061 -3.40692 63.546000 Cu 0.675234 0.520623 1 16 63.546 0.385736 -3.39194 63.546000 Cu 0.694138 0.554851 0 17 63.546 0.0694704 -3.41442 63.546000 Cu 0.613534 0.540547 0.5 19 63.546 0.13623 -3.4168 63.546000 Cu 0.950456 0.507945 4.5966e-17 4 63.546 0.0371202 -3.4113 63.546000 Cu 0.972101 0.543483 1 5 63.546 0.0114761 -3.41901 63.546000 Cu 0.891282 0.5269 0.5 7 63.546 0.122714 -3.41324 63.546000 Cu 0.753686 0.533249 0.5 18 63.546 0.042924 -3.40472 63.546000 Cu 0.832206 0.547353 1 20 63.546 0.106208 -3.42093 63.546000 Cu 0.810513 0.510889 1.28801e-16 360 63.546 0.382578 -3.3932 63.546000 Cu 0.13341 0.574983 3.54321e-17 9 63.546 0.0388135 -3.41906 63.546000 Cu 0.0527682 0.559649 0.5 11 63.546 0.0201193 -3.4179 63.546000 Cu 0.213528 0.589584 0.5 12 63.546 0.0153071 -3.4196 63.546000 Cu 0.0728928 0.594576 0.5 26 63.546 0.00860216 -3.42067 63.546000 Cu 0.15318 0.609742 3.54321e-17 28 63.546 0.0119161 -3.42074 63.546000 Cu 0.412114 0.56294 1.80033e-16 35 63.546 0.0462745 -3.42124 63.546000 Cu 0.273447 0.568754 0 57 63.546 0.0100247 -3.41826 63.546000 Cu 0.293179 0.604044 3.54321e-17 58 63.546 0.00275611 -3.42138 63.546000 Cu 0.352704 0.58328 0.5 59 63.546 0.028664 -3.42261 63.546000 Cu 0.432508 0.598579 1.29279e-17 60 63.546 0.0166408 -3.42321 63.546000 Cu 0.492626 0.578887 0.5 41 63.546 0.00468265 -3.42111 63.546000 Cu 0.552877 0.559643 2.82499e-17 38 63.546 0.0187853 -3.41782 63.546000 Cu 0.572925 0.594589 0 39 63.546 0.0082344 -3.42054 63.546000 Cu 0.633473 0.575011 0.5 40 63.546 0.040925 -3.41892 63.546000 Cu 0.713465 0.5896 3.54321e-17 42 63.546 0.0155387 -3.41939 63.546000 Cu 0.653084 0.60977 0.5 45 63.546 0.0124527 -3.42065 63.546000 Cu 0.992471 0.57887 3.54321e-17 24 63.546 0.00488791 -3.42101 63.546000 Cu 0.852551 0.583279 4.78812e-19 21 63.546 0.0285171 -3.42259 63.546000 Cu 0.912015 0.562913 0.5 22 63.546 0.0490301 -3.42127 63.546000 Cu 0.773368 0.56876 0.5 23 63.546 0.00974681 -3.41808 63.546000 Cu 0.932399 0.598558 0.5 27 63.546 0.0175147 -3.42332 63.546000 Cu 0.793045 0.604051 0.5 44 63.546 0.00251852 -3.42137 63.546000 Cu 0.0125614 0.614149 1 25 63.546 0.00188512 -3.42224 63.546000 Cu 0.172688 0.644677 3.54321e-17 29 63.546 0.00333171 -3.42156 63.546000 Cu 0.0927563 0.629569 0.5 30 63.546 0.00299531 -3.42163 63.546000 Cu 0.0323756 0.649383 1.20661e-16 50 63.546 0.000560758 -3.42264 63.546000 Cu 0.112289 0.66465 0.5 52 63.546 0.00106454 -3.42219 63.546000 Cu 0.233079 0.624531 0.5 81 63.546 0.00380601 -3.42112 63.546000 Cu 0.452337 0.634059 3.54321e-17 61 63.546 0.00449793 -3.42334 63.546000 Cu 0.37267 0.618847 0.5 63 63.546 0.00773914 -3.4231 63.546000 Cu 0.312686 0.639284 3.54321e-17 82 63.546 0.000841042 -3.42212 63.546000 Cu 0.392315 0.654241 0.5 84 63.546 0.00201777 -3.42304 63.546000 Cu 0.25254 0.659588 0.5 85 63.546 0.000894645 -3.4219 63.546000 Cu 0.733043 0.624546 1 43 63.546 0.00415502 -3.42116 63.546000 Cu 0.512526 0.614173 0.5 62 63.546 0.00190272 -3.42235 63.546000 Cu 0.592683 0.62959 4.78812e-19 64 63.546 0.00293298 -3.42172 63.546000 Cu 0.612345 0.664647 1 65 63.546 0.000977452 -3.42219 63.546000 Cu 0.672672 0.644681 0.5 66 63.546 0.00333838 -3.42154 63.546000 Cu 0.532302 0.649409 0.5 67 63.546 0.000595531 -3.42278 63.546000 Cu 0.87266 0.618827 1 46 63.546 0.00811908 -3.42328 63.546000 Cu 0.892421 0.654203 1 47 63.546 0.00226654 -3.42308 63.546000 Cu 0.952486 0.634018 0.5 48 63.546 0.00498302 -3.42335 63.546000 Cu 0.812741 0.639266 0.5 49 63.546 0.000925882 -3.42223 63.546000 Cu 0.75259 0.659569 3.54321e-17 68 63.546 0.000915141 -3.42183 63.546000 Cu 0.0518953 0.68461 1.58008e-17 51 63.546 0.000199336 -3.42277 63.546000 Cu 0.192137 0.679716 1.59923e-16 54 63.546 0.000787348 -3.42196 63.546000 Cu 0.211437 0.714797 1 55 63.546 0.000142428 -3.42211 63.546000 Cu 0.13172 0.699759 0.5 56 63.546 0.00039053 -3.42236 63.546000 Cu 0.0712772 0.719835 3.54321e-17 76 63.546 0.000300047 -3.42282 63.546000 Cu 0.33225 0.674502 1 83 63.546 0.000364009 -3.42242 63.546000 Cu 0.472167 0.669398 1.06296e-16 86 63.546 0.000975993 -3.42318 63.546000 Cu 0.411966 0.68952 0.5 89 63.546 0.000631049 -3.42289 63.546000 Cu 0.271902 0.694671 0.5 107 63.546 0.000100033 -3.42216 63.546000 Cu 0.351613 0.709668 3.73474e-17 108 63.546 0.000274731 -3.42247 63.546000 Cu 0.491672 0.704677 7.85252e-17 87 63.546 9.41099e-05 -3.42293 63.546000 Cu 0.692189 0.679703 0.5 71 63.546 0.0008341 -3.42188 63.546000 Cu 0.552002 0.684622 0.5 88 63.546 0.000217506 -3.42278 63.546000 Cu 0.631759 0.699759 1 90 63.546 0.000390378 -3.4223 63.546000 Cu 0.711412 0.714784 0.5 92 63.546 8.24944e-05 -3.42215 63.546000 Cu 0.571291 0.719844 0.5 93 63.546 0.000262316 -3.42278 63.546000 Cu 0.991625 0.704654 0.5 74 63.546 0.000122633 -3.42304 63.546000 Cu 0.972131 0.669368 0.5 53 63.546 0.00105783 -3.4231 63.546000 Cu 0.771906 0.694645 1 69 63.546 0.000113682 -3.42206 63.546000 Cu 0.832255 0.674458 0.5 70 63.546 0.000444854 -3.42228 63.546000 Cu 0.911862 0.68949 1 72 63.546 0.00063385 -3.42292 63.546000 Cu 0.851554 0.709646 0.5 75 63.546 0.000250288 -3.42246 63.546000 Cu 0.0902519 0.75508 3.54321e-17 77 63.546 0.000682037 -3.42291 63.546000 Cu 0.150871 0.734912 0.5 78 63.546 0.000232847 -3.42241 63.546000 Cu 0.0107805 0.739926 0.5 79 63.546 0.000223404 -3.42302 63.546000 Cu 0.169664 0.7701 0.5 80 63.546 0.000397802 -3.42248 63.546000 Cu 0.0296664 0.775219 0.5 100 63.546 0.00143244 -3.4232 63.546000 Cu 0.230355 0.749905 3.54321e-17 131 63.546 0.0001297 -3.42204 63.546000 Cu 0.37061 0.744822 4.78812e-19 109 63.546 0.000408706 -3.4225 63.546000 Cu 0.431216 0.724746 0.5 110 63.546 0.00029526 -3.4228 63.546000 Cu 0.291021 0.729784 0.5 111 63.546 9.63624e-05 -3.4221 63.546000 Cu 0.450216 0.759986 0.5 115 63.546 0.00014843 -3.42284 63.546000 Cu 0.309916 0.764871 0.5 133 63.546 0.000849047 -3.42199 63.546000 Cu 0.650889 0.734913 1 91 63.546 0.000247832 -3.4225 63.546000 Cu 0.730433 0.749889 0.5 97 63.546 0.000196896 -3.42205 63.546000 Cu 0.510805 0.739945 0 112 63.546 0.000232363 -3.42308 63.546000 Cu 0.529721 0.775234 3.78262e-17 113 63.546 0.00127327 -3.42314 63.546000 Cu 0.590333 0.755088 0.5 114 63.546 0.000724123 -3.42294 63.546000 Cu 0.669689 0.770104 2.63347e-17 116 63.546 0.000399717 -3.42243 63.546000 Cu 0.931208 0.724724 9.57625e-19 73 63.546 0.000345962 -3.42281 63.546000 Cu 0.791067 0.729754 3.54321e-17 94 63.546 0.000211787 -3.42207 63.546000 Cu 0.809854 0.764847 0 95 63.546 0.00098562 -3.42188 63.546000 Cu 0.870615 0.744791 0.5 96 63.546 0.000515249 -3.42235 63.546000 Cu 0.950173 0.75996 1 98 63.546 0.000184536 -3.42283 63.546000 Cu 0.109214 0.790375 1.48432e-17 102 63.546 0.00259734 -3.42309 63.546000 Cu 0.128521 0.825743 0 103 63.546 0.00842242 -3.42326 63.546000 Cu 0.188652 0.805293 0.5 104 63.546 0.000813494 -3.42213 63.546000 Cu 0.0488811 0.810545 0.5 105 63.546 0.00523641 -3.42329 63.546000 Cu 0.249183 0.784987 0 132 63.546 0.00118297 -3.42178 63.546000 Cu 0.389518 0.779961 1.2114e-16 134 63.546 0.000847781 -3.42218 63.546000 Cu 0.408617 0.815038 3.54321e-17 135 63.546 0.00284715 -3.4218 63.546000 Cu 0.469188 0.795224 0.5 136 63.546 0.000711302 -3.42272 63.546000 Cu 0.328739 0.799912 0.5 137 63.546 0.00358731 -3.42151 63.546000 Cu 0.268198 0.820041 3.54321e-17 157 63.546 0.00438422 -3.42118 63.546000 Cu 0.488669 0.830482 0.5 141 63.546 0.00203676 -3.42239 63.546000 Cu 0.688572 0.805319 1 117 63.546 0.00110484 -3.42207 63.546000 Cu 0.609183 0.790403 0.5 119 63.546 0.00282553 -3.42296 63.546000 Cu 0.548936 0.810599 3.54321e-17 138 63.546 0.00540107 -3.42325 63.546000 Cu 0.628579 0.825793 0.5 140 63.546 0.00854878 -3.42311 63.546000 Cu 0.749075 0.784988 0.5 118 63.546 0.00121865 -3.42171 63.546000 Cu 0.98854 0.830396 1.92483e-16 124 63.546 0.00165546 -3.42228 63.546000 Cu 0.969116 0.795182 1.8147e-16 99 63.546 0.000626358 -3.42272 63.546000 Cu 0.889403 0.77992 0.5 101 63.546 0.00117962 -3.42225 63.546000 Cu 0.828603 0.799879 1.81949e-17 120 63.546 0.00422737 -3.42153 63.546000 Cu 0.908523 0.814972 0.5 122 63.546 0.0034511 -3.42173 63.546000 Cu 0.768157 0.820042 0.5 123 63.546 0.00422413 -3.42108 63.546000 Cu 0.208 0.840531 0.5 106 63.546 0.0024815 -3.42125 63.546000 Cu 0.0083842 0.865662 3.54321e-17 125 63.546 0.00466967 -3.42101 63.546000 Cu 0.0685678 0.845975 0.5 126 63.546 0.0159707 -3.42338 63.546000 Cu 0.148338 0.86129 3.54321e-17 128 63.546 0.0289688 -3.42264 63.546000 Cu 0.0887708 0.881623 0.5 130 63.546 0.0466528 -3.42135 63.546000 Cu 0.227473 0.87584 0.5 179 63.546 0.0099086 -3.41816 63.546000 Cu 0.287438 0.854997 8.6665e-17 158 63.546 0.0165272 -3.41944 63.546000 Cu 0.348003 0.834853 0.5 159 63.546 0.0121603 -3.42073 63.546000 Cu 0.42815 0.850049 1.2114e-16 160 63.546 0.00790819 -3.42061 63.546000 Cu 0.447983 0.884992 3.54321e-17 161 63.546 0.0188641 -3.41775 63.546000 Cu 0.367508 0.869608 0.5 163 63.546 0.0412689 -3.41907 63.546000 Cu 0.568644 0.846058 0 139 63.546 0.0167217 -3.4233 63.546000 Cu 0.707994 0.84057 8.04405e-17 142 63.546 0.00265245 -3.42102 63.546000 Cu 0.727463 0.875871 3.54321e-17 143 63.546 0.0098746 -3.41805 63.546000 Cu 0.648294 0.861354 0.5 145 63.546 0.029299 -3.4225 63.546000 Cu 0.508402 0.865774 0.5 162 63.546 0.00542782 -3.42113 63.546000 Cu 0.588756 0.881719 9.57625e-19 164 63.546 0.0483794 -3.42146 63.546000 Cu 0.847889 0.834809 6.65549e-17 121 63.546 0.0130059 -3.42063 63.546000 Cu 0.92805 0.849961 0.5 127 63.546 0.00912171 -3.42056 63.546000 Cu 0.787394 0.854995 0.5 144 63.546 0.0161009 -3.41937 63.546000 Cu 0.867508 0.869555 2.42279e-16 146 63.546 0.0419226 -3.41911 63.546000 Cu 0.947993 0.884881 0.5 148 63.546 0.0215414 -3.41793 63.546000 Cu 0.168521 0.897216 1.7333e-16 129 63.546 0.106189 -3.42101 63.546000 Cu 0.0285301 0.901047 1.79076e-16 150 63.546 0.0108584 -3.41945 63.546000 Cu 0.0497762 0.936568 2.13072e-16 151 63.546 0.037642 -3.41198 63.546000 Cu 0.109198 0.917621 0.5 152 63.546 0.115726 -3.41358 63.546000 Cu 0.189797 0.933709 2.20254e-16 154 63.546 0.387684 -3.39425 63.546000 Cu 0.246871 0.911375 0.5 183 63.546 0.0452176 -3.4039 63.546000 Cu 0.30667 0.889754 3.54321e-17 180 63.546 0.0700529 -3.41426 63.546000 Cu 0.325102 0.923997 2.64783e-16 181 63.546 0.391733 -3.39033 63.546000 Cu 0.387057 0.904082 0.5 182 63.546 0.136849 -3.41701 63.546000 Cu 0.467768 0.919971 3.54321e-17 184 63.546 0.0296309 -3.41665 63.546000 Cu 0.407601 0.938222 0.5 187 63.546 0.394676 -3.4071 63.546000 Cu 0.60912 0.917732 3.54321e-17 165 63.546 0.122881 -3.41377 63.546000 Cu 0.668472 0.897273 0.5 166 63.546 0.105828 -3.421 63.546000 Cu 0.528487 0.901168 0.5 167 63.546 0.0124884 -3.41944 63.546000 Cu 0.689758 0.933759 0.5 171 63.546 0.389844 -3.39359 63.546000 Cu 0.549749 0.936674 0.5 186 63.546 0.0389233 -3.4115 63.546000 Cu 0.746834 0.911384 3.44745e-17 168 63.546 0.0449291 -3.40375 63.546000 Cu 0.887069 0.904018 0 147 63.546 0.137918 -3.41723 63.546000 Cu 0.806659 0.889747 0.5 149 63.546 0.0679665 -3.41398 63.546000 Cu 0.967833 0.919871 0.5 153 63.546 0.0307085 -3.41701 63.546000 Cu 0.825123 0.923967 0.5 170 63.546 0.388266 -3.39048 63.546000 Cu 0.90764 0.938167 5.84151e-17 172 63.546 0.393339 -3.40793 63.546000 Cu 0.212473 0.972296 3.35169e-18 155 63.546 4.6939 -3.39392 63.546000 Cu 0.130706 0.954083 0.5 156 63.546 0.437735 -3.39062 63.546000 Cu 0.065053 0.972252 6.60761e-17 176 63.546 0.479109 -3.41275 63.546000 Cu 0.130566 0.99043 0.5 177 63.546 0.443894 -3.39087 63.546000 Cu 0.266604 0.997118 0.5 215 63.546 5.67905 -3.25562 63.546000 Cu 0.266744 0.947509 0.5 195 63.546 5.65388 -3.25577 63.546000 Cu 0.346426 0.956571 3.54321e-17 196 63.546 7.34332 -3.14134 63.546000 Cu 0.346355 0.988088 0 197 63.546 7.32637 -3.14094 63.546000 Cu 0.421354 0.97233 0.5 198 63.546 3.68476 -3.34792 63.546000 Cu 0.488826 0.954821 1.22576e-16 185 63.546 0.212156 -3.41478 63.546000 Cu 0.488764 0.989848 1 200 63.546 0.209238 -3.41497 63.546000 Cu 0.630776 0.954207 0 188 63.546 0.455356 -3.3905 63.546000 Cu 0.630706 0.990575 0 189 63.546 0.44121 -3.39057 63.546000 Cu 0.712546 0.972379 0.5 190 63.546 4.72555 -3.39112 63.546000 Cu 0.565212 0.972366 0.5 191 63.546 0.48862 -3.41268 63.546000 Cu 0.766613 0.997256 7.661e-18 202 63.546 5.72476 -3.25553 63.546000 Cu 0.988741 0.954742 0.5 174 63.546 0.209779 -3.41551 63.546000 Cu 0.988627 0.989799 0.5 178 63.546 0.20434 -3.41483 63.546000 Cu 0.766717 0.947473 3.87838e-17 169 63.546 5.69904 -3.2544 63.546000 Cu 0.921209 0.972299 2.41321e-16 173 63.546 3.69891 -3.34802 63.546000 Cu 0.846385 0.956555 0.5 175 63.546 7.33867 -3.14244 63.546000 Cu 0.846287 0.988107 0.5 193 63.546 7.33341 -3.14329