Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.4062 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 73.5384 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61672 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 0.0991861 0.0146372 1.21799e-16 211 63.546 6.79122 -3.23464 63.546000 Cu 0.117456 0.0354535 0.5 221 63.546 3.69637 -3.44642 63.546000 Cu 0.215702 0.030587 2.45516e-17 223 63.546 9.20097 -3.28893 63.546000 Cu 0.00323243 0.0146084 0.5 212 63.546 1.08457 -3.51115 63.546000 Cu 0.0117008 0.0389078 2.14639e-17 219 63.546 0.585134 -3.50448 63.546000 Cu 0.235353 0.052587 0.5 226 63.546 0.686461 -3.4594 63.546000 Cu 0.330374 0.0457355 2.45516e-17 224 63.546 0.749818 -3.42922 63.546000 Cu 0.301484 0.0146999 0.5 225 63.546 8.12302 -3.47502 63.546000 Cu 0.402173 0.0145771 2.45516e-17 227 63.546 2.12129 -3.52413 63.546000 Cu 0.416973 0.0406682 0.5 230 63.546 0.499966 -3.477 63.546000 Cu 0.511678 0.0389023 4.47864e-17 228 63.546 0.586834 -3.50454 63.546000 Cu 0.503218 0.0146028 0.5 229 63.546 1.0855 -3.51126 63.546000 Cu 0.599184 0.0146333 1.20959e-16 231 63.546 6.79217 -3.23479 63.546000 Cu 0.715719 0.0305818 2.45516e-17 232 63.546 9.20084 -3.28883 63.546000 Cu 0.617464 0.0354486 0.5 234 63.546 3.69649 -3.44635 63.546000 Cu 0.735362 0.0525789 0.5 254 63.546 0.685831 -3.45931 63.546000 Cu 0.902206 0.0145819 2.45516e-17 209 63.546 2.11816 -3.52424 63.546000 Cu 0.801521 0.0146972 0.5 210 63.546 8.11758 -3.47526 63.546000 Cu 0.83039 0.0457305 2.45516e-17 215 63.546 0.749892 -3.42935 63.546000 Cu 0.917005 0.0406706 0.5 217 63.546 0.498444 -3.47706 63.546000 Cu 0.132581 0.0580266 2.99775e-20 220 63.546 0.0688937 -3.52483 63.546000 Cu 0.0335206 0.0623074 0.5 222 63.546 0.12378 -3.54256 63.546000 Cu 0.0552785 0.0862885 8.99325e-20 240 63.546 0.00907807 -3.53846 63.546000 Cu 0.152902 0.0810939 0.5 242 63.546 0.0272269 -3.54701 63.546000 Cu 0.172151 0.105061 2.45516e-17 241 63.546 0.00830959 -3.54465 63.546000 Cu 0.251063 0.0760057 1.1991e-19 244 63.546 0.051265 -3.54374 63.546000 Cu 0.268332 0.100255 0.5 247 63.546 0.00584542 -3.54349 63.546000 Cu 0.363974 0.0958629 2.45516e-17 245 63.546 0.0099603 -3.53457 63.546000 Cu 0.347008 0.0712509 0.5 246 63.546 0.0715544 -3.5172 63.546000 Cu 0.438964 0.0669667 2.45516e-17 248 63.546 0.0958798 -3.50783 63.546000 Cu 0.459601 0.0912738 0.5 251 63.546 0.0181918 -3.53185 63.546000 Cu 0.55529 0.0862826 2.08643e-17 249 63.546 0.00899969 -3.53845 63.546000 Cu 0.533518 0.0623028 0.5 250 63.546 0.124015 -3.54257 63.546000 Cu 0.632573 0.0580184 2.45516e-17 252 63.546 0.0694161 -3.52475 63.546000 Cu 0.652915 0.0810836 0.5 255 63.546 0.0272781 -3.54702 63.546000 Cu 0.672193 0.105048 3.22258e-17 274 63.546 0.0084645 -3.54465 63.546000 Cu 0.751073 0.0759941 5.35099e-17 253 63.546 0.0515958 -3.54377 63.546000 Cu 0.76837 0.100244 0.5 275 63.546 0.00595918 -3.54349 63.546000 Cu 0.938964 0.0669648 2.49113e-17 216 63.546 0.0954915 -3.50776 63.546000 Cu 0.84702 0.0712431 0.5 218 63.546 0.0712619 -3.51716 63.546000 Cu 0.863991 0.0958568 1 236 63.546 0.00981139 -3.53454 63.546000 Cu 0.959602 0.0912738 0.5 238 63.546 0.0180206 -3.53182 63.546000 Cu 0.0757392 0.110186 0.5 243 63.546 0.00188185 -3.54071 63.546000 Cu 0.0949699 0.13422 2.45516e-17 262 63.546 0.00160637 -3.54099 63.546000 Cu 0.20982 0.153559 2.88384e-17 263 63.546 0.000149646 -3.53939 63.546000 Cu 0.19101 0.129321 0.5 264 63.546 0.00127108 -3.54065 63.546000 Cu 0.286715 0.124609 3.02773e-17 266 63.546 0.00119472 -3.53936 63.546000 Cu 0.401913 0.144035 3.79515e-17 267 63.546 0.00074629 -3.53987 63.546000 Cu 0.382741 0.12 0.5 268 63.546 0.00312544 -3.53855 63.546000 Cu 0.305748 0.148816 0.5 269 63.546 0.000620337 -3.53912 63.546000 Cu 0.479175 0.115236 2.45516e-17 270 63.546 0.00265903 -3.53828 63.546000 Cu 0.498471 0.139155 0.5 273 63.546 0.000310658 -3.54061 63.546000 Cu 0.595019 0.134202 5.9955e-20 271 63.546 0.00178345 -3.54095 63.546000 Cu 0.575772 0.110176 0.5 272 63.546 0.00191608 -3.54068 63.546000 Cu 0.69107 0.129307 0.5 276 63.546 0.00139018 -3.54064 63.546000 Cu 0.709848 0.15355 1 295 63.546 0.000141193 -3.53939 63.546000 Cu 0.786764 0.124602 2.45516e-17 235 63.546 0.00108189 -3.53936 63.546000 Cu 0.979169 0.115242 6.18136e-17 237 63.546 0.00264853 -3.53832 63.546000 Cu 0.882768 0.120001 0.5 239 63.546 0.00302612 -3.53857 63.546000 Cu 0.805763 0.148817 0.5 257 63.546 0.000601556 -3.53913 63.546000 Cu 0.901917 0.144046 2.45516e-17 258 63.546 0.000748223 -3.53992 63.546000 Cu 0.998445 0.139173 0.5 260 63.546 0.000288632 -3.54066 63.546000 Cu 0.113764 0.158345 0.5 265 63.546 0.000402247 -3.54052 63.546000 Cu 0.0364805 0.187331 0.5 281 63.546 0.000107014 -3.54065 63.546000 Cu 0.132606 0.182504 5.9955e-20 283 63.546 8.9232e-05 -3.54015 63.546000 Cu 0.247784 0.201841 5.9955e-20 284 63.546 0.00016543 -3.53981 63.546000 Cu 0.228686 0.177721 0.5 285 63.546 0.000151732 -3.53962 63.546000 Cu 0.151698 0.206648 0.5 286 63.546 6.48443e-05 -3.53989 63.546000 Cu 0.0174935 0.163211 8.23482e-17 259 63.546 0.000267078 -3.54111 63.546000 Cu 0.324856 0.172933 0 287 63.546 0.000223621 -3.53978 63.546000 Cu 0.440291 0.19217 5.38696e-17 288 63.546 5.6231e-05 -3.54058 63.546000 Cu 0.421168 0.168085 0.5 289 63.546 6.48667e-05 -3.54067 63.546000 Cu 0.343988 0.197013 0.5 290 63.546 9.02321e-05 -3.54012 63.546000 Cu 0.517537 0.16319 5.9955e-20 291 63.546 0.000357863 -3.54113 63.546000 Cu 0.632621 0.182497 6.19635e-17 292 63.546 0.000114275 -3.54017 63.546000 Cu 0.613796 0.158327 0.5 293 63.546 0.000477423 -3.54055 63.546000 Cu 0.536544 0.187318 0.5 294 63.546 0.000124426 -3.54069 63.546000 Cu 0.728659 0.17772 0.5 296 63.546 0.000181782 -3.53961 63.546000 Cu 0.651732 0.206651 0.5 315 63.546 5.76985e-05 -3.53987 63.546000 Cu 0.747755 0.201853 1.21799e-16 317 63.546 0.000206853 -3.5398 63.546000 Cu 0.824804 0.172943 2.45516e-17 256 63.546 0.000267345 -3.53975 63.546000 Cu 0.921112 0.168104 0.5 261 63.546 7.57098e-05 -3.54064 63.546000 Cu 0.843911 0.197029 0.5 278 63.546 0.000155679 -3.54011 63.546000 Cu 0.940197 0.192187 2.45516e-17 279 63.546 7.17837e-05 -3.54053 63.546000 Cu 0.0555675 0.211455 3.13865e-17 280 63.546 6.93914e-05 -3.54018 63.546000 Cu 0.0942893 0.259702 5.9955e-20 302 63.546 8.6033e-06 -3.54021 63.546000 Cu 0.074871 0.235575 0.5 303 63.546 1.94147e-05 -3.54015 63.546000 Cu 0.170965 0.230759 5.30602e-18 305 63.546 4.58285e-05 -3.54006 63.546000 Cu 0.190382 0.254872 0.5 308 63.546 1.82951e-05 -3.54041 63.546000 Cu 0.267136 0.225931 0.5 307 63.546 1.95296e-05 -3.54019 63.546000 Cu 0.286544 0.250038 1.79865e-19 306 63.546 6.63172e-06 -3.54048 63.546000 Cu 0.363304 0.221097 1 309 63.546 3.34947e-05 -3.54033 63.546000 Cu 0.478851 0.240377 9.89258e-19 310 63.546 2.21732e-05 -3.54022 63.546000 Cu 0.459477 0.216265 0.5 311 63.546 7.85874e-05 -3.54033 63.546000 Cu 0.38272 0.245203 0.5 312 63.546 1.07965e-05 -3.54034 63.546000 Cu 0.555634 0.211448 5.39595e-19 313 63.546 5.72596e-05 -3.54016 63.546000 Cu 0.670989 0.230768 2.99775e-19 314 63.546 3.22584e-05 -3.54 63.546000 Cu 0.574912 0.23557 0.5 316 63.546 1.28814e-05 -3.54003 63.546000 Cu 0.594286 0.259695 5.39595e-19 335 63.546 3.04947e-06 -3.5401 63.546000 Cu 0.690362 0.254884 0.5 337 63.546 2.11574e-05 -3.5403 63.546000 Cu 0.767134 0.225952 0.5 318 63.546 1.61674e-05 -3.54013 63.546000 Cu 0.863262 0.22112 1 277 63.546 2.26742e-05 -3.54031 63.546000 Cu 0.959413 0.21628 0.5 282 63.546 8.31941e-05 -3.54036 63.546000 Cu 0.78652 0.250058 1.21829e-16 297 63.546 1.74656e-06 -3.54045 63.546000 Cu 0.882695 0.245227 0.5 299 63.546 1.1611e-05 -3.54032 63.546000 Cu 0.978806 0.240399 8.3937e-18 301 63.546 7.12246e-06 -3.54027 63.546000 Cu 0.133182 0.307923 2.97377e-17 324 63.546 4.03683e-05 -3.54022 63.546000 Cu 0.113696 0.283819 0.5 325 63.546 2.78078e-05 -3.54018 63.546000 Cu 0.0370896 0.312765 0.5 326 63.546 2.11568e-05 -3.54029 63.546000 Cu 0.209869 0.278989 1.79865e-19 327 63.546 2.14624e-05 -3.5403 63.546000 Cu 0.229385 0.303077 0.5 330 63.546 2.35235e-05 -3.54023 63.546000 Cu 0.01757 0.288637 1.39096e-17 323 63.546 2.53945e-05 -3.54019 63.546000 Cu 0.325554 0.29825 1.16613e-17 328 63.546 6.43359e-05 -3.54009 63.546000 Cu 0.30602 0.274143 0.5 329 63.546 1.27058e-05 -3.54017 63.546000 Cu 0.402129 0.269311 1.13015e-17 331 63.546 3.45944e-05 -3.54003 63.546000 Cu 0.498211 0.264503 0.5 333 63.546 5.26278e-06 -3.54007 63.546000 Cu 0.421584 0.293439 0.5 334 63.546 1.3324e-05 -3.54013 63.546000 Cu 0.517608 0.288629 1.1991e-19 332 63.546 3.18761e-05 -3.54019 63.546000 Cu 0.70979 0.279001 2.45516e-17 336 63.546 2.04712e-05 -3.54025 63.546000 Cu 0.613675 0.283822 0.5 338 63.546 3.38011e-05 -3.54017 63.546000 Cu 0.537149 0.312772 0.5 354 63.546 1.93478e-05 -3.5403 63.546000 Cu 0.633172 0.307945 1.49888e-19 356 63.546 2.54194e-05 -3.5402 63.546000 Cu 0.729274 0.303107 0.5 358 63.546 1.85809e-05 -3.54028 63.546000 Cu 0.902062 0.269336 8.90332e-18 298 63.546 1.30264e-05 -3.54009 63.546000 Cu 0.805922 0.274168 0.5 300 63.546 1.18197e-05 -3.54023 63.546000 Cu 0.998171 0.264521 0.5 304 63.546 2.80366e-06 -3.54012 63.546000 Cu 0.825419 0.298277 1.21769e-16 319 63.546 2.32499e-05 -3.54014 63.546000 Cu 0.921462 0.293459 0.5 321 63.546 2.59939e-05 -3.54015 63.546000 Cu 0.0566538 0.336878 2.45516e-17 344 63.546 2.37566e-05 -3.54039 63.546000 Cu 0.172413 0.356126 5.9955e-20 345 63.546 0.000139322 -3.53972 63.546000 Cu 0.152803 0.332026 0.5 346 63.546 1.02957e-05 -3.54019 63.546000 Cu 0.0762406 0.36097 0.5 347 63.546 6.8604e-05 -3.54043 63.546000 Cu 0.248919 0.327184 9.53884e-17 348 63.546 7.76354e-05 -3.54019 63.546000 Cu 0.268477 0.351323 0.5 351 63.546 8.76757e-05 -3.53973 63.546000 Cu 0.364481 0.346525 1.31152e-16 349 63.546 2.24549e-05 -3.54014 63.546000 Cu 0.345004 0.322379 0.5 350 63.546 1.93303e-05 -3.54006 63.546000 Cu 0.441095 0.317584 2.99775e-20 352 63.546 1.75058e-05 -3.54024 63.546000 Cu 0.460507 0.341723 0.5 355 63.546 5.37146e-05 -3.54053 63.546000 Cu 0.48001 0.365864 2.45516e-17 374 63.546 0.000200723 -3.54111 63.546000 Cu 0.556672 0.336902 1.22128e-16 353 63.546 2.94664e-05 -3.54042 63.546000 Cu 0.74883 0.327229 6.55908e-17 357 63.546 1.6336e-05 -3.54019 63.546000 Cu 0.652768 0.332067 0.5 359 63.546 5.9986e-06 -3.54019 63.546000 Cu 0.576181 0.361013 0.5 376 63.546 8.53737e-05 -3.54047 63.546000 Cu 0.67234 0.356179 2.95278e-17 378 63.546 6.11191e-05 -3.53973 63.546000 Cu 0.768408 0.351365 0.5 379 63.546 4.1136e-05 -3.53967 63.546000 Cu 0.940995 0.317589 9.20609e-17 320 63.546 9.56826e-06 -3.54029 63.546000 Cu 0.844885 0.322405 0.5 322 63.546 1.38567e-05 -3.54012 63.546000 Cu 0.864407 0.346548 3.32451e-17 340 63.546 1.71167e-05 -3.54018 63.546000 Cu 0.980045 0.365852 3.72021e-17 341 63.546 0.000200612 -3.54111 63.546000 Cu 0.960462 0.341722 0.5 342 63.546 7.20903e-05 -3.54062 63.546000 Cu 0.0960644 0.385039 2.99775e-20 366 63.546 0.000593786 -3.54002 63.546000 Cu 0.211747 0.404468 5.28204e-17 367 63.546 0.0015634 -3.53929 63.546000 Cu 0.192119 0.380248 0.5 368 63.546 0.000610879 -3.53919 63.546000 Cu 0.11579 0.409098 0.5 369 63.546 0.00297093 -3.53865 63.546000 Cu 0.019404 0.413869 0 363 63.546 0.0020728 -3.53827 63.546000 Cu 0.287969 0.375492 5.9955e-20 370 63.546 0.000176154 -3.53955 63.546000 Cu 0.403221 0.394864 1.22248e-16 371 63.546 0.0012962 -3.54116 63.546000 Cu 0.383895 0.370704 0.5 372 63.546 0.000220552 -3.54074 63.546000 Cu 0.307321 0.399751 0.5 373 63.546 0.00103255 -3.54069 63.546000 Cu 0.499559 0.389941 0.5 377 63.546 0.000322219 -3.54084 63.546000 Cu 0.422853 0.418926 0.5 393 63.546 0.00187523 -3.54044 63.546000 Cu 0.519305 0.413903 5.9955e-20 395 63.546 0.0018243 -3.53824 63.546000 Cu 0.59596 0.385083 2.3982e-19 375 63.546 0.000408845 -3.53999 63.546000 Cu 0.692043 0.380295 0.5 380 63.546 0.000453873 -3.53921 63.546000 Cu 0.615694 0.409136 0.5 397 63.546 0.00259486 -3.53865 63.546000 Cu 0.711685 0.404495 3.29753e-19 399 63.546 0.0015162 -3.5393 63.546000 Cu 0.787925 0.375519 1.11336e-16 339 63.546 0.000156709 -3.53951 63.546000 Cu 0.883888 0.370714 0.5 343 63.546 0.000245385 -3.5407 63.546000 Cu 0.807317 0.399764 0.5 361 63.546 0.00104275 -3.54069 63.546000 Cu 0.903246 0.394857 1.1991e-19 362 63.546 0.00128962 -3.54116 63.546000 Cu 0.999646 0.389911 0.5 364 63.546 0.00026022 -3.54088 63.546000 Cu 0.922921 0.418906 0.5 365 63.546 0.00178581 -3.54048 63.546000 Cu 0.0603707 0.462165 2.09843e-19 384 63.546 0.0923445 -3.5076 63.546000 Cu 0.0393892 0.437851 0.5 385 63.546 0.0166372 -3.53179 63.546000 Cu 0.134914 0.433237 2.45516e-17 387 63.546 0.0100718 -3.53456 63.546000 Cu 0.248148 0.453094 1.22008e-16 388 63.546 0.0483361 -3.54447 63.546000 Cu 0.230521 0.428827 0.5 389 63.546 0.00539455 -3.54335 63.546000 Cu 0.152297 0.457865 0.5 390 63.546 0.0694731 -3.51799 63.546000 Cu 0.326597 0.424025 1.85861e-17 391 63.546 0.00781017 -3.54431 63.546000 Cu 0.443687 0.442839 2.45516e-17 392 63.546 0.00848711 -3.53807 63.546000 Cu 0.346172 0.448007 0.5 394 63.546 0.0252118 -3.54716 63.546000 Cu 0.366846 0.471136 2.45516e-17 407 63.546 0.0690572 -3.52607 63.546000 Cu 0.46571 0.466874 0.5 409 63.546 0.117431 -3.5422 63.546000 Cu 0.748135 0.453092 1 8 63.546 0.0495075 -3.54442 63.546000 Cu 0.652244 0.457871 0.5 207 63.546 0.0694787 -3.51827 63.546000 Cu 0.63485 0.433258 5.9955e-20 396 63.546 0.00999269 -3.53461 63.546000 Cu 0.539261 0.437884 0.5 398 63.546 0.0158702 -3.53182 63.546000 Cu 0.730489 0.428837 0.5 400 63.546 0.00544483 -3.54339 63.546000 Cu 0.560267 0.462183 3.62428e-17 411 63.546 0.0917039 -3.50785 63.546000 Cu 0.826611 0.42402 1 360 63.546 0.00782075 -3.54438 63.546000 Cu 0.866956 0.471091 3.78016e-17 381 63.546 0.0714425 -3.52572 63.546000 Cu 0.846219 0.447988 0.5 382 63.546 0.0256291 -3.54707 63.546000 Cu 0.943783 0.442805 1.22518e-16 383 63.546 0.00900182 -3.53801 63.546000 Cu 0.96583 0.46684 0.5 386 63.546 0.119266 -3.54223 63.546000 Cu 0.0981945 0.514529 3.58231e-17 3 63.546 2.13906 -3.5232 63.546000 Cu 0.198902 0.514389 0.5 5 63.546 8.15121 -3.47258 63.546000 Cu 0.0828341 0.488445 0.5 404 63.546 0.494771 -3.47583 63.546000 Cu 0.169433 0.483358 1.1991e-19 405 63.546 0.737899 -3.43053 63.546000 Cu 0.28417 0.498613 1 6 63.546 9.20626 -3.29186 63.546000 Cu 0.26431 0.476562 0.5 406 63.546 0.671428 -3.46272 63.546000 Cu 0.401039 0.514603 2.99775e-20 9 63.546 6.77314 -3.23647 63.546000 Cu 0.488047 0.490277 2.1374e-17 408 63.546 0.576258 -3.50268 63.546000 Cu 0.382234 0.493785 0.5 410 63.546 3.74031 -3.44838 63.546000 Cu 0.497124 0.514581 0.5 11 63.546 1.09035 -3.51127 63.546000 Cu 0.598188 0.514534 2.45516e-17 13 63.546 2.14255 -3.52316 63.546000 Cu 0.698891 0.514195 0.5 15 63.546 8.16432 -3.47266 63.546000 Cu 0.582709 0.488445 0.5 203 63.546 0.478564 -3.47686 63.546000 Cu 0.669411 0.483366 2.45516e-17 412 63.546 0.718437 -3.43291 63.546000 Cu 0.997118 0.514559 0.5 4 63.546 1.08642 -3.51126 63.546000 Cu 0.764286 0.476534 0.5 2 63.546 0.6599 -3.46287 63.546000 Cu 0.90105 0.514564 4.85935e-17 1 63.546 6.77435 -3.23654 63.546000 Cu 0.784276 0.498545 3.92705e-17 401 63.546 9.17656 -3.29138 63.546000 Cu 0.882322 0.49374 0.5 402 63.546 3.73474 -3.44862 63.546000 Cu 0.988117 0.490257 1 403 63.546 0.575963 -3.50286 63.546000 Cu 0.0610081 0.566951 2.69798e-19 22 63.546 0.095476 -3.50743 63.546000 Cu 0.0832114 0.540639 0.5 23 63.546 0.517599 -3.47491 63.546000 Cu 0.169774 0.545744 4.5266e-17 25 63.546 0.782662 -3.42574 63.546000 Cu 0.153028 0.571243 0.5 26 63.546 0.0703785 -3.51738 63.546000 Cu 0.24893 0.575992 4.32575e-17 27 63.546 0.0507924 -3.54371 63.546000 Cu 0.284272 0.530505 1.1991e-19 7 63.546 9.25475 -3.29034 63.546000 Cu 0.382719 0.535443 0.5 12 63.546 3.72182 -3.44632 63.546000 Cu 0.264793 0.552546 0.5 28 63.546 0.708176 -3.45871 63.546000 Cu 0.367475 0.558001 0 29 63.546 0.0680986 -3.52508 63.546000 Cu 0.466615 0.562298 0.5 31 63.546 0.12668 -3.54222 63.546000 Cu 0.488564 0.538903 3.07569e-17 10 63.546 0.595253 -3.50405 63.546000 Cu 0.669776 0.545735 8.99325e-20 14 63.546 0.803409 -3.42359 63.546000 Cu 0.583232 0.540649 0.5 16 63.546 0.52682 -3.47385 63.546000 Cu 0.561076 0.566975 3.04571e-17 33 63.546 0.0966781 -3.50735 63.546000 Cu 0.65307 0.571245 0.5 35 63.546 0.0699832 -3.51719 63.546000 Cu 0.748943 0.575973 0 37 63.546 0.0504937 -3.54379 63.546000 Cu 0.988531 0.538874 5.29403e-17 21 63.546 0.595717 -3.504 63.546000 Cu 0.784145 0.530444 2.45516e-17 17 63.546 9.27539 -3.29086 63.546000 Cu 0.867399 0.557954 1.28903e-17 18 63.546 0.0674197 -3.52525 63.546000 Cu 0.882624 0.535398 0.5 19 63.546 3.73078 -3.44604 63.546000 Cu 0.764768 0.552508 0.5 20 63.546 0.722905 -3.45811 63.546000 Cu 0.966532 0.562262 0.5 24 63.546 0.125775 -3.54225 63.546000 Cu 0.0207241 0.615232 5.39595e-19 42 63.546 0.00270854 -3.53833 63.546000 Cu 0.0403358 0.591264 0.5 43 63.546 0.0184589 -3.53203 63.546000 Cu 0.135974 0.595863 1.71471e-17 45 63.546 0.00996291 -3.53459 63.546000 Cu 0.117173 0.620009 0.5 46 63.546 0.00360291 -3.53857 63.546000 Cu 0.213152 0.624609 2.99775e-20 47 63.546 0.001205 -3.5393 63.546000 Cu 0.231567 0.600242 0.5 48 63.546 0.00597657 -3.54322 63.546000 Cu 0.444733 0.586292 5.9955e-20 30 63.546 0.00917901 -3.53861 63.546000 Cu 0.347086 0.58108 0.5 32 63.546 0.0264439 -3.54705 63.546000 Cu 0.327746 0.605036 0 49 63.546 0.00915638 -3.54449 63.546000 Cu 0.424198 0.610172 0.5 51 63.546 0.00192277 -3.54051 63.546000 Cu 0.308836 0.629302 0.5 52 63.546 0.00149144 -3.5408 63.546000 Cu 0.636052 0.595874 5.9955e-20 34 63.546 0.0101705 -3.53449 63.546000 Cu 0.540444 0.591291 0.5 36 63.546 0.0191665 -3.53196 63.546000 Cu 0.520822 0.615249 1.04891e-16 53 63.546 0.00272036 -3.5383 63.546000 Cu 0.617267 0.620027 0.5 55 63.546 0.00396796 -3.53858 63.546000 Cu 0.713211 0.624621 2.99775e-20 57 63.546 0.00130549 -3.53926 63.546000 Cu 0.731603 0.60024 0.5 40 63.546 0.00591262 -3.54311 63.546000 Cu 0.827711 0.605022 3.81014e-17 38 63.546 0.00933571 -3.54444 63.546000 Cu 0.847038 0.581049 0.5 39 63.546 0.0266609 -3.54718 63.546000 Cu 0.94466 0.586259 4.4007e-17 41 63.546 0.0089746 -3.53873 63.546000 Cu 0.924127 0.610152 0.5 44 63.546 0.00201458 -3.54055 63.546000 Cu 0.808837 0.6293 0.5 59 63.546 0.00154199 -3.54072 63.546000 Cu 0.00134576 0.63915 0.5 63 63.546 0.00037109 -3.54078 63.546000 Cu 0.0979133 0.644047 1.1991e-19 65 63.546 0.00084472 -3.53994 63.546000 Cu 0.17489 0.672946 6.89782e-17 66 63.546 0.000247095 -3.53965 63.546000 Cu 0.194058 0.648829 0.5 67 63.546 0.000732772 -3.53907 63.546000 Cu 0.0785969 0.668099 0.5 68 63.546 0.000106913 -3.54065 63.546000 Cu 0.404872 0.634193 2.45516e-17 50 63.546 0.00202041 -3.54111 63.546000 Cu 0.289972 0.653559 2.99775e-20 69 63.546 0.000183032 -3.53947 63.546000 Cu 0.367158 0.682496 2.3982e-19 70 63.546 8.27335e-05 -3.54003 63.546000 Cu 0.386012 0.658331 0.5 71 63.546 0.00049481 -3.54061 63.546000 Cu 0.271071 0.677723 0.5 72 63.546 0.000108322 -3.53952 63.546000 Cu 0.482269 0.663201 1.26265e-16 73 63.546 0.000388645 -3.54119 63.546000 Cu 0.59798 0.644064 8.99325e-20 54 63.546 0.000898277 -3.53994 63.546000 Cu 0.501416 0.639163 0.5 56 63.546 0.000346735 -3.5408 63.546000 Cu 0.69413 0.64885 0.5 60 63.546 0.000939028 -3.53904 63.546000 Cu 0.578652 0.668111 0.5 75 63.546 0.000101067 -3.54061 63.546000 Cu 0.674943 0.672963 6.37921e-17 77 63.546 0.000284291 -3.53961 63.546000 Cu 0.982221 0.663195 1.49888e-19 62 63.546 0.000428014 -3.54123 63.546000 Cu 0.789997 0.653573 3.94204e-17 58 63.546 0.000207297 -3.53942 63.546000 Cu 0.904834 0.634184 2.99775e-20 61 63.546 0.00209477 -3.54107 63.546000 Cu 0.885995 0.658333 0.5 64 63.546 0.000521765 -3.54062 63.546000 Cu 0.7711 0.677744 0.5 79 63.546 0.000162256 -3.53952 63.546000 Cu 0.867171 0.682511 5.9955e-20 81 63.546 7.0413e-05 -3.54007 63.546000 Cu 0.0595176 0.692183 8.99325e-20 85 63.546 4.37861e-05 -3.5405 63.546000 Cu 0.13667 0.721121 6.25631e-17 86 63.546 7.06581e-05 -3.54036 63.546000 Cu 0.155833 0.697027 0.5 87 63.546 5.5276e-05 -3.54008 63.546000 Cu 0.0404559 0.716282 0.5 88 63.546 7.74215e-05 -3.54031 63.546000 Cu 0.232833 0.725959 0.5 92 63.546 3.86439e-05 -3.54021 63.546000 Cu 0.463275 0.687324 0.5 76 63.546 0.000135254 -3.54059 63.546000 Cu 0.25207 0.701851 2.3982e-19 89 63.546 0.000170789 -3.53977 63.546000 Cu 0.32897 0.730783 0 90 63.546 3.873e-05 -3.54005 63.546000 Cu 0.34813 0.706653 0.5 91 63.546 3.65717e-05 -3.5398 63.546000 Cu 0.444232 0.711458 2.63502e-17 93 63.546 4.33399e-05 -3.5401 63.546000 Cu 0.425074 0.73559 0.5 96 63.546 2.51683e-05 -3.54011 63.546000 Cu 0.559538 0.69219 1 74 63.546 4.29754e-05 -3.54048 63.546000 Cu 0.655842 0.697042 0.5 80 63.546 6.21944e-05 -3.54009 63.546000 Cu 0.540404 0.716284 0.5 95 63.546 6.13422e-05 -3.54031 63.546000 Cu 0.636628 0.721129 2.45516e-17 97 63.546 3.71867e-05 -3.54034 63.546000 Cu 0.732815 0.725967 0.5 99 63.546 2.68599e-05 -3.54014 63.546000 Cu 0.752073 0.701871 4.50562e-17 78 63.546 0.000184766 -3.53976 63.546000 Cu 0.944266 0.711466 2.00849e-17 82 63.546 3.82224e-05 -3.54007 63.546000 Cu 0.963256 0.687326 0.5 83 63.546 0.000143245 -3.54061 63.546000 Cu 0.84815 0.70667 0.5 84 63.546 6.2069e-05 -3.53976 63.546000 Cu 0.828993 0.730788 2.74594e-17 101 63.546 4.38548e-05 -3.53999 63.546000 Cu 0.925135 0.735592 0.5 103 63.546 5.41359e-05 -3.54005 63.546000 Cu 0.0212353 0.740406 1.72371e-17 105 63.546 4.36657e-05 -3.54033 63.546000 Cu 0.0980147 0.769378 1.12446e-16 106 63.546 1.11259e-05 -3.5401 63.546000 Cu 0.117357 0.745246 0.5 107 63.546 7.48918e-06 -3.5404 63.546000 Cu 0.00191998 0.764553 0.5 108 63.546 1.07592e-05 -3.54025 63.546000 Cu 0.194157 0.774209 0.5 109 63.546 1.29608e-05 -3.54016 63.546000 Cu 0.213491 0.750087 9.65875e-17 110 63.546 5.4136e-06 -3.54048 63.546000 Cu 0.290314 0.779043 5.9955e-20 111 63.546 2.4473e-05 -3.54018 63.546000 Cu 0.309677 0.754916 0.5 112 63.546 2.38105e-05 -3.54036 63.546000 Cu 0.405782 0.759732 2.99775e-20 113 63.546 7.9087e-06 -3.5402 63.546000 Cu 0.386429 0.78387 0.5 116 63.546 1.89632e-05 -3.54011 63.546000 Cu 0.482526 0.788688 2.45516e-17 114 63.546 1.29538e-05 -3.54018 63.546000 Cu 0.521172 0.740405 3.77717e-18 94 63.546 3.66441e-05 -3.54034 63.546000 Cu 0.713493 0.750085 1.22158e-16 98 63.546 3.85592e-06 -3.5405 63.546000 Cu 0.617316 0.745244 0.5 100 63.546 1.00926e-05 -3.5404 63.546000 Cu 0.501901 0.764551 0.5 115 63.546 1.41451e-05 -3.54022 63.546000 Cu 0.598011 0.76937 1.21949e-16 117 63.546 2.19019e-05 -3.54009 63.546000 Cu 0.694167 0.774202 0.5 119 63.546 2.58224e-05 -3.54016 63.546000 Cu 0.982513 0.788691 2.45516e-17 125 63.546 3.49412e-06 -3.54018 63.546000 Cu 0.905811 0.759728 2.99775e-20 102 63.546 1.36988e-05 -3.54023 63.546000 Cu 0.809702 0.754912 0.5 104 63.546 3.21043e-05 -3.54038 63.546000 Cu 0.790323 0.779038 5.10517e-17 121 63.546 3.14642e-05 -3.54019 63.546000 Cu 0.886423 0.783869 0.5 123 63.546 1.56757e-05 -3.54012 63.546000 Cu 0.0591661 0.817657 2.99775e-20 126 63.546 8.34623e-06 -3.54034 63.546000 Cu 0.078623 0.793509 0.5 127 63.546 1.21648e-05 -3.54014 63.546000 Cu 0.174715 0.798328 1 129 63.546 2.24208e-05 -3.54013 63.546000 Cu 0.155249 0.82247 0.5 130 63.546 2.06734e-05 -3.54001 63.546000 Cu 0.0397921 0.841816 0.5 147 63.546 0.00012573 -3.54061 63.546000 Cu 0.251332 0.827291 1 131 63.546 2.77378e-05 -3.54017 63.546000 Cu 0.270858 0.803157 0.5 132 63.546 2.26205e-05 -3.54031 63.546000 Cu 0.367011 0.808003 0 133 63.546 4.01744e-05 -3.54029 63.546000 Cu 0.443593 0.836982 2.45516e-17 134 63.546 5.55959e-05 -3.5405 63.546000 Cu 0.463069 0.812839 0.5 135 63.546 1.85361e-05 -3.54043 63.546000 Cu 0.347451 0.832132 0.5 136 63.546 8.37263e-06 -3.54022 63.546000 Cu 0.674702 0.798319 1 118 63.546 3.80272e-05 -3.54015 63.546000 Cu 0.578629 0.793502 0.5 120 63.546 2.8467e-05 -3.54016 63.546000 Cu 0.559148 0.817658 2.45516e-17 137 63.546 1.18446e-05 -3.54038 63.546000 Cu 0.655218 0.822468 0.5 139 63.546 2.44211e-05 -3.54003 63.546000 Cu 0.53978 0.841823 0.5 140 63.546 0.000117414 -3.54062 63.546000 Cu 0.866993 0.807999 5.9955e-20 122 63.546 3.32913e-05 -3.54026 63.546000 Cu 0.770835 0.803151 0.5 124 63.546 2.12631e-05 -3.54032 63.546000 Cu 0.963062 0.812836 0.5 128 63.546 1.85888e-05 -3.5404 63.546000 Cu 0.751298 0.827285 1 141 63.546 4.14098e-05 -3.54016 63.546000 Cu 0.847434 0.832123 0.5 143 63.546 9.41403e-06 -3.54019 63.546000 Cu 0.943595 0.836973 1 145 63.546 4.64041e-05 -3.54047 63.546000 Cu 0.0202758 0.865955 2.45516e-17 146 63.546 0.000231718 -3.54113 63.546000 Cu 0.135806 0.846628 1 149 63.546 2.29894e-05 -3.54015 63.546000 Cu 0.116437 0.870824 0.5 150 63.546 0.000361641 -3.54081 63.546000 Cu 0.212375 0.875615 2.45516e-17 151 63.546 0.000152897 -3.53955 63.546000 Cu 0.000727758 0.890028 0.5 167 63.546 0.000297694 -3.54088 63.546000 Cu 0.231805 0.851431 0.5 152 63.546 0.000116983 -3.53968 63.546000 Cu 0.327885 0.856241 9.62278e-18 153 63.546 0.00012321 -3.53967 63.546000 Cu 0.404325 0.885157 2.45516e-17 154 63.546 0.000561372 -3.53997 63.546000 Cu 0.424077 0.861086 0.5 155 63.546 7.23957e-05 -3.54045 63.546000 Cu 0.308229 0.880362 0.5 156 63.546 0.00069664 -3.53916 63.546000 Cu 0.635798 0.846629 1.1991e-19 138 63.546 2.38592e-05 -3.54014 63.546000 Cu 0.520296 0.865966 2.45516e-17 157 63.546 0.000269134 -3.54115 63.546000 Cu 0.616458 0.870829 0.5 159 63.546 0.000382941 -3.54085 63.546000 Cu 0.500754 0.890037 0.5 160 63.546 0.000321089 -3.54084 63.546000 Cu 0.712393 0.875615 2.00849e-18 161 63.546 0.000156137 -3.53959 63.546000 Cu 0.731802 0.851426 0.5 144 63.546 0.000130333 -3.53967 63.546000 Cu 0.827882 0.85623 1 142 63.546 0.00014978 -3.53967 63.546000 Cu 0.924065 0.861073 0.5 148 63.546 6.61018e-05 -3.54044 63.546000 Cu 0.808231 0.880357 0.5 163 63.546 0.00070575 -3.53921 63.546000 Cu 0.904312 0.885149 1 165 63.546 0.000587415 -3.54003 63.546000 Cu 0.0971264 0.894976 2.45516e-17 169 63.546 0.00137113 -3.54119 63.546000 Cu 0.173875 0.924141 1 170 63.546 0.00817289 -3.54436 63.546000 Cu 0.193088 0.899876 0.5 171 63.546 0.00128016 -3.54057 63.546000 Cu 0.0775463 0.919027 0.5 172 63.546 0.00199971 -3.54066 63.546000 Cu 0.0567191 0.942928 5.9955e-20 189 63.546 0.00841817 -3.53838 63.546000 Cu 0.288685 0.904581 5.9955e-20 173 63.546 0.00148466 -3.53915 63.546000 Cu 0.365531 0.933336 2.45516e-17 174 63.546 0.0102333 -3.53437 63.546000 Cu 0.384643 0.909204 0.5 175 63.546 0.00317652 -3.53858 63.546000 Cu 0.269937 0.928943 0.5 176 63.546 0.00555433 -3.54328 63.546000 Cu 0.46108 0.937955 0.5 180 63.546 0.016769 -3.53194 63.546000 Cu 0.481031 0.913984 2.45516e-17 177 63.546 0.00206081 -3.53831 63.546000 Cu 0.597155 0.894985 2.45516e-17 158 63.546 0.0014628 -3.54117 63.546000 Cu 0.69311 0.899881 0.5 164 63.546 0.00133079 -3.54055 63.546000 Cu 0.556732 0.942932 2.45516e-17 178 63.546 0.00839974 -3.5384 63.546000 Cu 0.577574 0.919034 0.5 179 63.546 0.0020587 -3.54064 63.546000 Cu 0.673903 0.924148 2.45516e-17 181 63.546 0.00831837 -3.54435 63.546000 Cu 0.981012 0.91398 1 166 63.546 0.00204925 -3.53832 63.546000 Cu 0.788693 0.904583 1 162 63.546 0.00147825 -3.53912 63.546000 Cu 0.884641 0.909202 0.5 168 63.546 0.00315446 -3.53857 63.546000 Cu 0.769958 0.928947 0.5 183 63.546 0.0055854 -3.54326 63.546000 Cu 0.865533 0.933337 2.44616e-17 185 63.546 0.0102699 -3.53433 63.546000 Cu 0.961075 0.937953 0.5 187 63.546 0.0168525 -3.53188 63.546000 Cu 0.118266 0.99385 0.5 214 63.546 3.76247 -3.44813 63.546000 Cu 0.216439 0.998722 2.09843e-19 213 63.546 9.26637 -3.29183 63.546000 Cu 0.154264 0.948123 0.5 191 63.546 0.0261997 -3.54724 63.546000 Cu 0.133576 0.971229 3.5973e-19 190 63.546 0.0704993 -3.52581 63.546000 Cu 0.0346598 0.966951 0.5 192 63.546 0.120034 -3.54233 63.546000 Cu 0.0122638 0.990314 2.25731e-17 206 63.546 0.588212 -3.50193 63.546000 Cu 0.236228 0.976675 0.5 196 63.546 0.69695 -3.46121 63.546000 Cu 0.252309 0.95321 5.63577e-18 193 63.546 0.0494833 -3.5445 63.546000 Cu 0.33104 0.983448 2.09843e-19 194 63.546 0.766998 -3.42765 63.546000 Cu 0.348149 0.957953 0.5 195 63.546 0.0690175 -3.51761 63.546000 Cu 0.440099 0.962233 2.45516e-17 197 63.546 0.0960537 -3.50737 63.546000 Cu 0.417577 0.988501 0.5 200 63.546 0.506799 -3.47458 63.546000 Cu 0.618281 0.993848 0.5 233 63.546 3.76432 -3.44798 63.546000 Cu 0.71645 0.998721 2.45516e-17 208 63.546 9.26533 -3.29164 63.546000 Cu 0.654282 0.948131 0.5 184 63.546 0.0264437 -3.54728 63.546000 Cu 0.512262 0.990311 8.99325e-20 198 63.546 0.588088 -3.50184 63.546000 Cu 0.534665 0.966954 0.5 199 63.546 0.120104 -3.54226 63.546000 Cu 0.633576 0.971233 7.34149e-17 201 63.546 0.0709275 -3.52566 63.546000 Cu 0.73625 0.976679 0.5 202 63.546 0.696936 -3.46111 63.546000 Cu 0.752326 0.953217 1 182 63.546 0.0498697 -3.54454 63.546000 Cu 0.940102 0.962233 1 186 63.546 0.0962252 -3.50732 63.546000 Cu 0.84817 0.957958 0.5 188 63.546 0.0692034 -3.51759 63.546000 Cu 0.831063 0.983454 2.45516e-17 204 63.546 0.766479 -3.42778 63.546000 Cu 0.917601 0.988508 0.5 205 63.546 0.505756 -3.47457