Number of particles = 455 A = 1 Angstrom (basic length-scale) H0(1,1) = 21.0424 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 84.3906 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.88999 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 0.116843 0.0145248 0 235 63.546 10.7061 -5.46571 63.546000 Cu 0.0284729 0.0205257 0.5 236 63.546 2.01746 -5.60296 63.546000 Cu 0.152536 0.0334325 0.5 241 63.546 0.188466 -5.701 63.546000 Cu 0.205532 3.39422e-05 0.5 237 63.546 11.1721 -5.51522 63.546000 Cu 0.23781 0.0238816 1 243 63.546 6.60795 -5.56472 63.546000 Cu 0.321112 0.0165257 0.5 245 63.546 12.5149 -5.56958 63.546000 Cu 0.35852 0.0370237 1 244 63.546 0.0754423 -5.75766 63.546000 Cu 0.404368 0.00520872 1 247 63.546 8.84814 -5.23381 63.546000 Cu 0.442079 0.0281621 0.5 250 63.546 0.169137 -5.75168 63.546000 Cu 0.528485 0.0205212 0 248 63.546 2.01575 -5.60292 63.546000 Cu 0.616871 0.0145238 0.5 252 63.546 10.7058 -5.46518 63.546000 Cu 0.65257 0.0334209 9.81081e-17 268 63.546 0.188919 -5.70092 63.546000 Cu 0.705563 3.40873e-05 2.67568e-17 251 63.546 11.1703 -5.51591 63.546000 Cu 0.737846 0.0238723 0.5 270 63.546 6.60592 -5.56487 63.546000 Cu 0.821143 0.0165213 0 272 63.546 12.5127 -5.56966 63.546000 Cu 0.942095 0.0281652 0 273 63.546 0.168671 -5.75158 63.546000 Cu 0.904382 0.0052052 0.5 274 63.546 8.84498 -5.23403 63.546000 Cu 0.858549 0.0370209 0.5 275 63.546 0.075797 -5.75765 63.546000 Cu 0.013022 0.0726418 0 238 63.546 0.0289001 -5.76504 63.546000 Cu 0.062762 0.0429173 1 239 63.546 0.210978 -5.74196 63.546000 Cu 0.0999839 0.0636551 0.5 242 63.546 0.0186677 -5.76744 63.546000 Cu 0.186443 0.0547994 1 240 63.546 0.0178338 -5.76647 63.546000 Cu 0.271954 0.0462689 0.5 246 63.546 0.027758 -5.7642 63.546000 Cu 0.220949 0.076612 0.5 258 63.546 0.00176857 -5.76967 63.546000 Cu 0.307262 0.0676969 0 260 63.546 0.00566468 -5.76833 63.546000 Cu 0.392953 0.0590726 0.5 262 63.546 0.00840324 -5.76782 63.546000 Cu 0.477901 0.0503487 0 264 63.546 0.0314357 -5.76271 63.546000 Cu 0.60003 0.0636275 9.63243e-17 265 63.546 0.0186932 -5.76741 63.546000 Cu 0.562773 0.0429043 0.5 266 63.546 0.211437 -5.74163 63.546000 Cu 0.513042 0.0726152 0.5 267 63.546 0.0288828 -5.76495 63.546000 Cu 0.771997 0.0462582 6.33243e-17 269 63.546 0.0275698 -5.76414 63.546000 Cu 0.686495 0.0547784 0.5 271 63.546 0.0184115 -5.7665 63.546000 Cu 0.721024 0.0765874 1 292 63.546 0.00171748 -5.76968 63.546000 Cu 0.807315 0.0676881 0.5 294 63.546 0.00589521 -5.76835 63.546000 Cu 0.89298 0.0590771 7.93784e-17 296 63.546 0.00846476 -5.76776 63.546000 Cu 0.977905 0.0503612 0.5 297 63.546 0.0311193 -5.76264 63.546000 Cu 0.0837899 0.115735 0 253 63.546 0.000113619 -5.76951 63.546000 Cu 0.0487482 0.094069 0.5 254 63.546 0.00146612 -5.76953 63.546000 Cu 0.134889 0.0852742 0 256 63.546 0.00153191 -5.76934 63.546000 Cu 0.255966 0.0982285 3.12162e-17 257 63.546 0.000747557 -5.76923 63.546000 Cu 0.169838 0.107001 0.5 259 63.546 8.69448e-05 -5.76963 63.546000 Cu 0.290835 0.119994 0.5 282 63.546 0.000148191 -5.76942 63.546000 Cu 0.427652 0.0809448 1 261 63.546 0.00223435 -5.76838 63.546000 Cu 0.341877 0.0895516 0.5 263 63.546 0.00100395 -5.76916 63.546000 Cu 0.376747 0.111335 1 284 63.546 0.00036869 -5.76925 63.546000 Cu 0.462563 0.102816 0.5 286 63.546 0.00421871 -5.76923 63.546000 Cu 0.54882 0.0940206 4.05811e-17 288 63.546 0.00140236 -5.76956 63.546000 Cu 0.634972 0.0852338 0.5 290 63.546 0.00178743 -5.76938 63.546000 Cu 0.583922 0.115665 0.5 291 63.546 0.00023082 -5.76957 63.546000 Cu 0.669964 0.106953 1.03905e-16 289 63.546 0.000124911 -5.76965 63.546000 Cu 0.75606 0.098207 0.5 295 63.546 0.000922337 -5.76924 63.546000 Cu 0.79093 0.119989 1 317 63.546 0.000195565 -5.76935 63.546000 Cu 0.841928 0.0895544 1 293 63.546 0.00103891 -5.76909 63.546000 Cu 0.92766 0.0809646 0.5 298 63.546 0.00210936 -5.76828 63.546000 Cu 0.876772 0.111362 0.5 319 63.546 0.000285771 -5.76914 63.546000 Cu 0.962531 0.10286 1.78378e-16 321 63.546 0.00432157 -5.76921 63.546000 Cu 0.0326868 0.146165 0 276 63.546 2.37139e-05 -5.76951 63.546000 Cu 0.153665 0.159149 2.14054e-17 277 63.546 2.29889e-05 -5.76949 63.546000 Cu 0.118746 0.137437 0.5 278 63.546 9.43532e-06 -5.76953 63.546000 Cu 0.204807 0.128697 3.25541e-17 280 63.546 8.60945e-05 -5.76945 63.546000 Cu 0.325712 0.141737 7.26892e-17 281 63.546 6.90962e-05 -5.76947 63.546000 Cu 0.239723 0.150424 0.5 283 63.546 4.88374e-05 -5.76948 63.546000 Cu 0.411693 0.133098 0.5 287 63.546 0.000535766 -5.76959 63.546000 Cu 0.446794 0.154754 6.02027e-17 309 63.546 4.34431e-05 -5.76963 63.546000 Cu 0.497837 0.124386 1.11932e-16 285 63.546 0.000239588 -5.76963 63.546000 Cu 0.532881 0.146054 0.5 311 63.546 5.74088e-05 -5.7696 63.546000 Cu 0.618945 0.137354 4.59324e-17 313 63.546 7.9591e-05 -5.76957 63.546000 Cu 0.653909 0.15907 0.5 316 63.546 0.000156362 -5.76948 63.546000 Cu 0.739882 0.150405 3.07703e-17 314 63.546 0.0001177 -5.76938 63.546000 Cu 0.704966 0.128653 0.5 315 63.546 0.000217755 -5.76945 63.546000 Cu 0.825769 0.141769 0.5 320 63.546 2.2011e-05 -5.76932 63.546000 Cu 0.997734 0.124463 0.5 255 63.546 0.000323989 -5.76957 63.546000 Cu 0.911657 0.133163 5.39595e-17 318 63.546 0.00059686 -5.76949 63.546000 Cu 0.946656 0.154869 0.5 344 63.546 0.000110595 -5.76949 63.546000 Cu 0.0675851 0.167885 0.5 279 63.546 3.29266e-05 -5.76948 63.546000 Cu 0.0162676 0.198339 0.5 300 63.546 5.99746e-05 -5.76943 63.546000 Cu 0.102384 0.189599 0 301 63.546 1.45907e-05 -5.76948 63.546000 Cu 0.188493 0.180866 0.5 303 63.546 1.75729e-05 -5.7695 63.546000 Cu 0.274586 0.172151 0 305 63.546 3.53774e-05 -5.76956 63.546000 Cu 0.309476 0.193848 0.5 308 63.546 1.76902e-05 -5.76962 63.546000 Cu 0.395628 0.185145 0 306 63.546 9.54586e-06 -5.76963 63.546000 Cu 0.360675 0.163457 0.5 307 63.546 6.20051e-05 -5.76963 63.546000 Cu 0.481763 0.176443 0.5 312 63.546 4.28752e-05 -5.76962 63.546000 Cu 0.567871 0.167754 1.30216e-16 310 63.546 9.82567e-05 -5.76957 63.546000 Cu 0.516653 0.198149 7.58108e-17 334 63.546 0.000101835 -5.76956 63.546000 Cu 0.602726 0.189477 0.5 336 63.546 0.000138544 -5.76949 63.546000 Cu 0.688729 0.180827 1 338 63.546 6.17434e-05 -5.76939 63.546000 Cu 0.809446 0.193965 8.56216e-17 339 63.546 4.13428e-05 -5.76938 63.546000 Cu 0.774686 0.172187 0.5 340 63.546 1.053e-05 -5.76938 63.546000 Cu 0.860642 0.163546 9.63243e-17 342 63.546 0.00010429 -5.76946 63.546000 Cu 0.981497 0.176606 1 343 63.546 5.27152e-05 -5.76947 63.546000 Cu 0.895451 0.185305 0.5 345 63.546 9.24678e-05 -5.76941 63.546000 Cu 0.0509837 0.22005 1 299 63.546 4.34418e-05 -5.76944 63.546000 Cu 0.137144 0.211306 0.5 304 63.546 2.78171e-05 -5.76951 63.546000 Cu 0.223322 0.202566 0 302 63.546 2.33688e-05 -5.76958 63.546000 Cu 0.171928 0.232986 0 326 63.546 2.17107e-05 -5.76958 63.546000 Cu 0.258145 0.224248 0.5 328 63.546 1.7009e-05 -5.76963 63.546000 Cu 0.344353 0.215529 9.76622e-17 330 63.546 2.69119e-05 -5.76965 63.546000 Cu 0.465326 0.228536 0 331 63.546 0.000134013 -5.76956 63.546000 Cu 0.430531 0.206827 0.5 332 63.546 8.55298e-05 -5.76961 63.546000 Cu 0.379176 0.237212 0.5 333 63.546 0.00011123 -5.76961 63.546000 Cu 0.637459 0.211241 0 335 63.546 5.60221e-05 -5.7694 63.546000 Cu 0.551429 0.219877 0.5 337 63.546 0.000147685 -5.76947 63.546000 Cu 0.723465 0.202604 0.5 341 63.546 2.36152e-05 -5.76937 63.546000 Cu 0.672107 0.233023 0.5 361 63.546 2.67217e-05 -5.76935 63.546000 Cu 0.758104 0.224396 0 363 63.546 3.05394e-05 -5.76932 63.546000 Cu 0.878731 0.237509 1 364 63.546 0.00011687 -5.76932 63.546000 Cu 0.844122 0.215743 0.5 365 63.546 9.07838e-05 -5.76936 63.546000 Cu 0.930181 0.207052 1 367 63.546 8.01977e-05 -5.76939 63.546000 Cu 0.964831 0.228795 0.5 368 63.546 0.000103847 -5.76939 63.546000 Cu 0.120455 0.263413 1 323 63.546 3.51871e-05 -5.76958 63.546000 Cu 0.0856934 0.24175 0.5 324 63.546 5.72829e-05 -5.76951 63.546000 Cu 0.0341945 0.272199 0.5 325 63.546 0.000119574 -5.76951 63.546000 Cu 0.292972 0.245913 1 327 63.546 6.99325e-05 -5.76965 63.546000 Cu 0.206723 0.254649 0.5 329 63.546 2.89524e-05 -5.76964 63.546000 Cu 0.241551 0.276296 1 351 63.546 0.000132496 -5.76966 63.546000 Cu 0.32776 0.267591 0.5 353 63.546 0.000156209 -5.76962 63.546000 Cu 0.413924 0.258917 1 355 63.546 0.000167871 -5.76956 63.546000 Cu 0.534655 0.272042 6.15406e-17 356 63.546 7.227e-05 -5.76942 63.546000 Cu 0.500026 0.250275 0.5 357 63.546 0.00011015 -5.76947 63.546000 Cu 0.58608 0.241649 8.47297e-18 359 63.546 5.22272e-05 -5.76941 63.546000 Cu 0.620672 0.263437 0.5 362 63.546 2.63012e-05 -5.76933 63.546000 Cu 0.706664 0.254828 1 360 63.546 2.43757e-05 -5.7693 63.546000 Cu 0.792677 0.246187 0.5 366 63.546 7.79279e-05 -5.76931 63.546000 Cu 0.741208 0.276632 0.5 386 63.546 8.71756e-05 -5.76926 63.546000 Cu 0.827226 0.267976 0 388 63.546 0.000215739 -5.76926 63.546000 Cu 0.999484 0.250514 6.33243e-17 322 63.546 0.00012468 -5.7694 63.546000 Cu 0.913321 0.259263 0.5 390 63.546 0.000204086 -5.76934 63.546000 Cu 0.0689952 0.293836 1 347 63.546 7.08393e-05 -5.76962 63.546000 Cu 0.15529 0.285045 0.5 349 63.546 6.93784e-05 -5.76967 63.546000 Cu 0.10395 0.315432 0.5 350 63.546 0.000128666 -5.7697 63.546000 Cu 0.190201 0.30667 5.39595e-17 348 63.546 0.000252087 -5.76969 63.546000 Cu 0.276384 0.297958 0.5 354 63.546 0.00026417 -5.76964 63.546000 Cu 0.311262 0.319659 0 376 63.546 0.000177254 -5.76953 63.546000 Cu 0.362521 0.28929 1.22189e-16 352 63.546 0.000200026 -5.76955 63.546000 Cu 0.448599 0.28066 0.5 358 63.546 0.000102048 -5.76948 63.546000 Cu 0.397274 0.311028 0.5 378 63.546 0.000145163 -5.76948 63.546000 Cu 0.483284 0.302416 1.02568e-17 380 63.546 0.000161817 -5.76941 63.546000 Cu 0.603892 0.315653 1.74365e-16 381 63.546 6.81292e-05 -5.7692 63.546000 Cu 0.569266 0.293833 0.5 382 63.546 6.61195e-05 -5.76933 63.546000 Cu 0.655228 0.285248 7.58108e-18 384 63.546 2.41525e-05 -5.76928 63.546000 Cu 0.775748 0.298443 1 385 63.546 0.000379447 -5.7692 63.546000 Cu 0.689797 0.307071 0.5 387 63.546 0.000110364 -5.76918 63.546000 Cu 0.947964 0.280985 1 389 63.546 0.000297336 -5.7694 63.546000 Cu 0.861813 0.289738 0.5 391 63.546 0.000395022 -5.7693 63.546000 Cu 0.896474 0.311454 0 412 63.546 0.000554848 -5.76937 63.546000 Cu 0.982716 0.302645 0.5 413 63.546 0.000223399 -5.76952 63.546000 Cu 0.0176268 0.324248 0 346 63.546 8.08755e-05 -5.76965 63.546000 Cu 0.0526685 0.34581 0.5 370 63.546 0.000272882 -5.76972 63.546000 Cu 0.139018 0.337021 1 372 63.546 0.000548098 -5.76974 63.546000 Cu 0.260151 0.350009 1.815e-16 373 63.546 0.000118465 -5.76956 63.546000 Cu 0.2252 0.328318 0.5 374 63.546 0.000340073 -5.76963 63.546000 Cu 0.174082 0.358658 0.5 375 63.546 0.000409118 -5.7696 63.546000 Cu 0.43214 0.332782 1 377 63.546 0.000242152 -5.76937 63.546000 Cu 0.346181 0.341384 0.5 379 63.546 0.000137064 -5.76948 63.546000 Cu 0.466981 0.354572 0.5 402 63.546 0.000352312 -5.76918 63.546000 Cu 0.51803 0.324214 0.5 383 63.546 0.000159905 -5.76925 63.546000 Cu 0.552778 0.346053 2.22973e-18 404 63.546 0.000224015 -5.76905 63.546000 Cu 0.638541 0.33751 0.5 406 63.546 0.000179521 -5.76896 63.546000 Cu 0.810331 0.320219 0.5 410 63.546 0.000740912 -5.76918 63.546000 Cu 0.673044 0.359443 1.16392e-16 405 63.546 0.00139149 -5.7684 63.546000 Cu 0.724339 0.328919 5.44054e-17 408 63.546 0.000650536 -5.76898 63.546000 Cu 0.758886 0.350748 0.5 411 63.546 0.00170901 -5.7688 63.546000 Cu 0.844984 0.341947 0 409 63.546 0.00115822 -5.76919 63.546000 Cu 0.931269 0.333093 0.5 414 63.546 0.000382718 -5.7695 63.546000 Cu 0.966263 0.354665 2.31892e-17 437 63.546 0.000249189 -5.76962 63.546000 Cu 0.0879398 0.367324 0 369 63.546 0.00192725 -5.76966 63.546000 Cu 0.00145678 0.376165 0.5 371 63.546 0.000836217 -5.76963 63.546000 Cu 0.0370438 0.397548 2.18068e-16 392 63.546 0.00862682 -5.76907 63.546000 Cu 0.123072 0.388984 0.5 394 63.546 0.000804645 -5.76946 63.546000 Cu 0.209084 0.380332 2.89865e-17 396 63.546 0.000143347 -5.76952 63.546000 Cu 0.330164 0.393426 4.90541e-18 397 63.546 0.00108075 -5.76924 63.546000 Cu 0.295094 0.371713 0.5 398 63.546 0.000155379 -5.76949 63.546000 Cu 0.381095 0.363106 2.4973e-17 400 63.546 0.00052843 -5.76937 63.546000 Cu 0.415942 0.384896 0.5 403 63.546 0.000673184 -5.76903 63.546000 Cu 0.501715 0.376414 1 401 63.546 0.000948623 -5.76892 63.546000 Cu 0.587428 0.367941 0.5 407 63.546 0.000880919 -5.76857 63.546000 Cu 0.536512 0.398315 0.5 427 63.546 0.00756453 -5.76694 63.546000 Cu 0.621726 0.390034 0 429 63.546 0.00420254 -5.7668 63.546000 Cu 0.707409 0.381361 0.5 431 63.546 0.00472714 -5.76789 63.546000 Cu 0.793499 0.372513 1 433 63.546 0.00289876 -5.76865 63.546000 Cu 0.82837 0.394091 0.5 436 63.546 0.00141353 -5.76916 63.546000 Cu 0.914927 0.385101 8.91892e-18 434 63.546 0.000689076 -5.76941 63.546000 Cu 0.879846 0.363575 0.5 435 63.546 0.000795784 -5.76939 63.546000 Cu 0.158173 0.410681 0 393 63.546 0.00049901 -5.76943 63.546000 Cu 0.0721101 0.41928 0.5 395 63.546 0.0029121 -5.76901 63.546000 Cu 0.244084 0.402069 0.5 399 63.546 0.000576381 -5.76937 63.546000 Cu 0.192863 0.432461 0.5 419 63.546 0.00458792 -5.76891 63.546000 Cu 0.27939 0.423664 4.9946e-17 421 63.546 0.00576393 -5.76906 63.546000 Cu 0.400555 0.437123 1 422 63.546 0.0325193 -5.76718 63.546000 Cu 0.365307 0.415282 0.5 423 63.546 0.00106364 -5.76871 63.546000 Cu 0.450938 0.406762 1.03459e-16 425 63.546 0.00418078 -5.76862 63.546000 Cu 0.486447 0.428566 0.5 428 63.546 0.0686978 -5.75657 63.546000 Cu 0.570576 0.420767 1 426 63.546 0.0163627 -5.76036 63.546000 Cu 0.655749 0.41212 0.5 432 63.546 0.016166 -5.76513 63.546000 Cu 0.741759 0.403178 0 430 63.546 0.00870947 -5.76666 63.546000 Cu 0.689608 0.434105 1 451 63.546 0.0376013 -5.76002 63.546000 Cu 0.776559 0.424601 0.5 453 63.546 0.0045716 -5.76834 63.546000 Cu 0.898622 0.436836 0.5 231 63.546 0.0217743 -5.76515 63.546000 Cu 0.950228 0.406504 0.5 232 63.546 0.00272779 -5.76906 63.546000 Cu 0.986334 0.427644 0 233 63.546 0.0438326 -5.76344 63.546000 Cu 0.863355 0.415569 1.91311e-16 455 63.546 0.00232521 -5.76884 63.546000 Cu 0.106887 0.441007 1 417 63.546 0.00742303 -5.76886 63.546000 Cu 0.0575923 0.471782 6.55541e-17 415 63.546 0.150374 -5.75046 63.546000 Cu 0.0214652 0.449747 0.5 416 63.546 0.0332254 -5.76338 63.546000 Cu 0.140967 0.462935 0.5 420 63.546 0.0901714 -5.75671 63.546000 Cu 0.228153 0.453814 1 418 63.546 0.0302676 -5.76346 63.546000 Cu 0.313807 0.44545 0.5 424 63.546 0.0121721 -5.76519 63.546000 Cu 0.261464 0.476067 0.5 442 63.546 6.52788 -5.55722 63.546000 Cu 0.347555 0.466713 1 443 63.546 0.300479 -5.67678 63.546000 Cu 0.438107 0.458344 0.5 445 63.546 0.5802 -5.68924 63.546000 Cu 0.603953 0.443163 0.5 449 63.546 0.0645474 -5.75487 63.546000 Cu 0.520101 0.451909 0 447 63.546 0.0942888 -5.73312 63.546000 Cu 0.63688 0.465474 1 448 63.546 0.288665 -5.69785 63.546000 Cu 0.552916 0.475155 0.5 450 63.546 4.45227 -5.53158 63.546000 Cu 0.760308 0.477193 1 219 63.546 2.7804 -5.5673 63.546000 Cu 0.811467 0.446055 0 452 63.546 0.0176168 -5.76433 63.546000 Cu 0.725361 0.455201 0.5 454 63.546 0.0418654 -5.761 63.546000 Cu 0.971398 0.479529 0.5 2 63.546 2.09496 -5.59999 63.546000 Cu 0.936518 0.457214 1 4 63.546 0.265139 -5.73495 63.546000 Cu 0.846265 0.466959 0.5 18 63.546 0.182146 -5.70459 63.546000 Cu 0.0010356 0.500813 0 438 63.546 12.3826 -5.54362 63.546000 Cu 0.0958504 0.494811 0.5 439 63.546 8.77515 -5.23834 63.546000 Cu 0.1649 0.51449 0 21 63.546 13.1411 -5.42351 63.546000 Cu 0.17839 0.483375 6.6e-17 440 63.546 10.743 -5.5746 63.546000 Cu 0.293077 0.499807 1 441 63.546 10.9554 -5.55185 63.546000 Cu 0.468704 0.483095 1 444 63.546 9.44879 -5.36911 63.546000 Cu 0.375871 0.514464 0.5 6 63.546 12.771 -5.32554 63.546000 Cu 0.380079 0.48544 0.5 446 63.546 12.896 -5.29531 63.546000 Cu 0.466031 0.516887 1 5 63.546 9.72518 -5.35489 63.546000 Cu 0.588518 0.499964 4.95e-17 230 63.546 11.7435 -5.40487 63.546000 Cu 0.797272 0.500111 0.5 7 63.546 10.9354 -5.56475 63.546000 Cu 0.67378 0.515171 0.5 9 63.546 10.5264 -5.49624 63.546000 Cu 0.675394 0.484929 0.5 223 63.546 10.6415 -5.49132 63.546000 Cu 0.880513 0.515044 3.61216e-17 1 63.546 10.1759 -5.48805 63.546000 Cu 0.883481 0.485579 1 20 63.546 10.3577 -5.47658 63.546000 Cu 0.0521519 0.529696 1 19 63.546 2.75943 -5.51154 63.546000 Cu 0.136924 0.536937 0.5 24 63.546 1.1295 -5.62226 63.546000 Cu 0.0180421 0.551002 0.5 41 63.546 0.0392862 -5.76328 63.546000 Cu 0.104308 0.559331 7.58108e-17 42 63.546 0.0244807 -5.76516 63.546000 Cu 0.223041 0.544782 8.20541e-17 22 63.546 0.0885418 -5.76082 63.546000 Cu 0.253598 0.522411 0.5 23 63.546 6.55514 -5.5267 63.546000 Cu 0.309296 0.553787 0.5 28 63.546 0.0426529 -5.75765 63.546000 Cu 0.342286 0.532794 0 25 63.546 0.369086 -5.66231 63.546000 Cu 0.434408 0.541388 0.5 27 63.546 0.622542 -5.68524 63.546000 Cu 0.63391 0.534591 1.02568e-17 8 63.546 0.30754 -5.70066 63.546000 Cu 0.550651 0.524695 0.5 10 63.546 4.45764 -5.52115 63.546000 Cu 0.516739 0.547921 1 29 63.546 0.0950922 -5.73583 63.546000 Cu 0.600618 0.556817 0.5 31 63.546 0.067299 -5.75386 63.546000 Cu 0.757698 0.523092 1.25311e-16 11 63.546 2.9472 -5.55427 63.546000 Cu 0.807761 0.554422 4.45946e-17 12 63.546 0.0233447 -5.7626 63.546000 Cu 0.721826 0.545068 0.5 14 63.546 0.0445227 -5.75936 63.546000 Cu 0.965828 0.521641 0.5 3 63.546 4.28543 -5.45499 63.546000 Cu 0.84267 0.533587 0.5 13 63.546 0.206723 -5.7034 63.546000 Cu 0.932146 0.543585 1 15 63.546 0.237526 -5.7375 63.546000 Cu 0.156125 0.589333 0 43 63.546 0.00729951 -5.76747 63.546000 Cu 0.0699785 0.581101 0.5 45 63.546 0.0145614 -5.7684 63.546000 Cu 0.189756 0.566987 0.5 44 63.546 0.020262 -5.76601 63.546000 Cu 0.275562 0.575542 1.23081e-16 46 63.546 0.00585307 -5.76763 63.546000 Cu 0.241551 0.597538 0.5 49 63.546 0.00193913 -5.76765 63.546000 Cu 0.3966 0.562392 0 26 63.546 0.0399909 -5.76781 63.546000 Cu 0.482911 0.571177 0.5 32 63.546 0.0732734 -5.75796 63.546000 Cu 0.361721 0.584131 0.5 48 63.546 0.003788 -5.769 63.546000 Cu 0.447536 0.59287 0 50 63.546 0.00371276 -5.76901 63.546000 Cu 0.567097 0.579153 1 30 63.546 0.0172969 -5.76042 63.546000 Cu 0.652606 0.587959 0.5 36 63.546 0.0163689 -5.76437 63.546000 Cu 0.686124 0.566099 1 33 63.546 0.0377444 -5.75768 63.546000 Cu 0.739061 0.597038 1 34 63.546 0.00798026 -5.76539 63.546000 Cu 0.773411 0.575739 0.5 35 63.546 0.00571087 -5.76642 63.546000 Cu 0.983802 0.572896 1 16 63.546 0.0533244 -5.76199 63.546000 Cu 0.895209 0.563791 0.5 17 63.546 0.0238261 -5.76139 63.546000 Cu 0.860734 0.584863 5.44054e-17 37 63.546 0.00234666 -5.76726 63.546000 Cu 0.948124 0.5939 0.5 39 63.546 0.00480388 -5.76822 63.546000 Cu 0.0352329 0.602786 5.57433e-17 64 63.546 0.0139495 -5.76834 63.546000 Cu 0.0867639 0.632883 5.7973e-17 65 63.546 0.00438478 -5.76945 63.546000 Cu 0.121512 0.611173 0.5 66 63.546 0.00457239 -5.769 63.546000 Cu 8.76867e-05 0.624147 0.5 67 63.546 0.00228163 -5.76942 63.546000 Cu 0.327264 0.606047 2.76487e-17 47 63.546 0.00133415 -5.76845 63.546000 Cu 0.207412 0.619585 1 68 63.546 0.00169353 -5.76871 63.546000 Cu 0.29304 0.627996 0.5 70 63.546 0.00051843 -5.76859 63.546000 Cu 0.413067 0.614691 0.5 53 63.546 0.000497572 -5.76888 63.546000 Cu 0.378923 0.636561 3.56757e-18 72 63.546 0.000171124 -5.7689 63.546000 Cu 0.499133 0.623311 0 51 63.546 0.000234098 -5.7691 63.546000 Cu 0.533442 0.601478 0.5 52 63.546 0.00639791 -5.76803 63.546000 Cu 0.619013 0.609911 1.29324e-17 54 63.546 0.0043729 -5.76685 63.546000 Cu 0.585129 0.631912 0.5 57 63.546 0.000546506 -5.76887 63.546000 Cu 0.826146 0.606184 0.5 40 63.546 0.00134043 -5.76834 63.546000 Cu 0.705082 0.61871 0.5 56 63.546 0.0047581 -5.76754 63.546000 Cu 0.791629 0.627648 8.82973e-17 58 63.546 0.0028907 -5.76817 63.546000 Cu 0.913148 0.615233 1 38 63.546 0.000642354 -5.76901 63.546000 Cu 0.878395 0.636657 0.5 60 63.546 0.000704744 -5.76901 63.546000 Cu 0.0169521 0.675961 1 88 63.546 0.000224484 -5.76961 63.546000 Cu 0.0517891 0.654415 0.5 89 63.546 0.00100086 -5.7697 63.546000 Cu 0.138208 0.663139 1 90 63.546 0.00201299 -5.76963 63.546000 Cu 0.258831 0.649916 0 69 63.546 0.000546082 -5.76915 63.546000 Cu 0.17286 0.641406 0.5 71 63.546 0.00168308 -5.76933 63.546000 Cu 0.224334 0.671716 0.5 92 63.546 0.000824378 -5.76941 63.546000 Cu 0.430599 0.666974 4.50405e-17 73 63.546 7.54308e-05 -5.7691 63.546000 Cu 0.464882 0.645139 0.5 74 63.546 5.61569e-05 -5.76906 63.546000 Cu 0.344692 0.658422 0.5 75 63.546 6.90406e-05 -5.76898 63.546000 Cu 0.550924 0.65375 6.02027e-17 76 63.546 3.32596e-05 -5.76915 63.546000 Cu 0.63699 0.662386 0.5 78 63.546 0.00018705 -5.76907 63.546000 Cu 0.516586 0.675571 0.5 79 63.546 7.00952e-05 -5.76915 63.546000 Cu 0.671156 0.640533 5.97568e-17 55 63.546 0.00135031 -5.76836 63.546000 Cu 0.757393 0.649315 0.5 61 63.546 0.00175959 -5.76859 63.546000 Cu 0.72314 0.671071 3.47838e-17 80 63.546 0.000650098 -5.76895 63.546000 Cu 0.809398 0.679848 0.5 82 63.546 0.00069447 -5.76905 63.546000 Cu 0.843851 0.658202 3.56757e-17 59 63.546 0.000923971 -5.76893 63.546000 Cu 0.965174 0.645603 8.69595e-17 62 63.546 0.000477238 -5.76945 63.546000 Cu 0.930405 0.667096 0.5 63 63.546 0.000254263 -5.76934 63.546000 Cu 0.103388 0.684737 0.5 93 63.546 0.000552262 -5.76966 63.546000 Cu 0.0687235 0.706325 4.37027e-17 111 63.546 0.000117261 -5.7696 63.546000 Cu 0.155155 0.715076 0.5 113 63.546 0.000274693 -5.76962 63.546000 Cu 0.189737 0.693435 1.65e-17 91 63.546 0.000838255 -5.76963 63.546000 Cu 0.310328 0.680271 1 94 63.546 0.000257595 -5.76927 63.546000 Cu 0.27595 0.702052 0.5 97 63.546 0.000499545 -5.76947 63.546000 Cu 0.362053 0.710641 6.68919e-18 95 63.546 0.000187828 -5.76932 63.546000 Cu 0.396319 0.688822 0.5 96 63.546 4.32347e-05 -5.76916 63.546000 Cu 0.482337 0.697399 1 98 63.546 2.92824e-05 -5.76915 63.546000 Cu 0.448116 0.719232 0.5 101 63.546 4.2109e-05 -5.7692 63.546000 Cu 0.602681 0.68419 6.95676e-17 77 63.546 0.000105188 -5.7692 63.546000 Cu 0.568405 0.706007 0.5 100 63.546 6.30659e-05 -5.76915 63.546000 Cu 0.654492 0.714644 1 102 63.546 0.000148123 -5.76916 63.546000 Cu 0.77499 0.701565 1.98892e-16 81 63.546 0.000404933 -5.76914 63.546000 Cu 0.688813 0.692858 0.5 83 63.546 0.000176747 -5.76916 63.546000 Cu 0.895777 0.688676 0 84 63.546 0.000394006 -5.76927 63.546000 Cu 0.947706 0.719135 1 85 63.546 0.000163518 -5.76932 63.546000 Cu 0.982232 0.697519 0.5 86 63.546 0.000133572 -5.76943 63.546000 Cu 0.861294 0.710334 0.5 87 63.546 0.000347473 -5.7692 63.546000 Cu 0.12057 0.736707 1 112 63.546 6.72625e-05 -5.76955 63.546000 Cu 0.0341617 0.727939 0.5 114 63.546 4.97806e-05 -5.76944 63.546000 Cu 0.0860834 0.758362 0.5 136 63.546 5.40854e-05 -5.76942 63.546000 Cu 0.241471 0.723764 1.1327e-16 115 63.546 0.000333508 -5.76959 63.546000 Cu 0.293267 0.754126 0 116 63.546 0.000157603 -5.76955 63.546000 Cu 0.327691 0.732413 0.5 117 63.546 0.000290443 -5.76947 63.546000 Cu 0.206942 0.74544 0.5 118 63.546 0.000130745 -5.76958 63.546000 Cu 0.413855 0.741032 0 119 63.546 0.000162671 -5.76933 63.546000 Cu 0.534173 0.727828 0 99 63.546 2.71844e-05 -5.76913 63.546000 Cu 0.620285 0.736448 0.5 105 63.546 7.37847e-05 -5.76915 63.546000 Cu 0.500007 0.749645 0.5 121 63.546 5.62841e-05 -5.76922 63.546000 Cu 0.586153 0.758262 4.95e-17 123 63.546 6.69176e-06 -5.76914 63.546000 Cu 0.706456 0.745097 1 103 63.546 0.000146977 -5.76916 63.546000 Cu 0.740678 0.723322 0.5 104 63.546 0.000212908 -5.76918 63.546000 Cu 0.826946 0.732044 7.35811e-17 106 63.546 0.000233473 -5.76918 63.546000 Cu 0.792695 0.753784 0.5 109 63.546 0.000179202 -5.76918 63.546000 Cu 0.999678 0.749586 8.51757e-17 134 63.546 7.97613e-05 -5.76931 63.546000 Cu 0.913297 0.740807 0.5 108 63.546 0.000148214 -5.76922 63.546000 Cu 0.0517298 0.780029 1 135 63.546 3.86679e-05 -5.76925 63.546000 Cu 0.138118 0.788773 0.5 140 63.546 4.80299e-05 -5.76939 63.546000 Cu 0.172471 0.767099 1 137 63.546 4.89654e-05 -5.7695 63.546000 Cu 0.224485 0.797482 6.24324e-18 138 63.546 3.47022e-05 -5.76948 63.546000 Cu 0.258852 0.775807 0.5 139 63.546 3.75485e-05 -5.76956 63.546000 Cu 0.465822 0.771433 1.24865e-17 120 63.546 0.000170808 -5.76932 63.546000 Cu 0.379566 0.762788 0.5 122 63.546 0.000194369 -5.76946 63.546000 Cu 0.345225 0.78449 1 141 63.546 5.75867e-05 -5.76953 63.546000 Cu 0.431573 0.793169 0.5 143 63.546 0.000164802 -5.76944 63.546000 Cu 0.638212 0.788698 1.03014e-16 124 63.546 4.28916e-06 -5.76915 63.546000 Cu 0.552034 0.780068 0.5 126 63.546 7.66032e-05 -5.76919 63.546000 Cu 0.672312 0.766891 0.5 125 63.546 5.77266e-05 -5.76914 63.546000 Cu 0.758511 0.775545 0 127 63.546 0.000152738 -5.76919 63.546000 Cu 0.724383 0.797326 0.5 130 63.546 6.63228e-05 -5.76918 63.546000 Cu 0.878995 0.762512 1.54297e-16 107 63.546 0.000127923 -5.76918 63.546000 Cu 0.965351 0.771269 0.5 110 63.546 5.15223e-05 -5.76919 63.546000 Cu 0.844783 0.784233 0.5 129 63.546 0.000168504 -5.76921 63.546000 Cu 0.931122 0.792963 7.09054e-17 131 63.546 5.28057e-05 -5.76919 63.546000 Cu 0.0175104 0.801718 0.5 157 63.546 5.28772e-06 -5.76915 63.546000 Cu 0.103878 0.810467 0 158 63.546 6.17894e-05 -5.76918 63.546000 Cu 0.0697455 0.832167 0.5 161 63.546 0.000112738 -5.76904 63.546000 Cu 0.310849 0.806161 0.5 144 63.546 1.80668e-05 -5.76956 63.546000 Cu 0.190208 0.819172 0.5 160 63.546 8.07268e-05 -5.76934 63.546000 Cu 0.276537 0.827846 4.32568e-17 162 63.546 0.000105258 -5.76948 63.546000 Cu 0.397251 0.814851 1 142 63.546 3.21083e-05 -5.76952 63.546000 Cu 0.483667 0.823553 0.5 148 63.546 0.000201737 -5.76939 63.546000 Cu 0.362898 0.836497 0.5 164 63.546 0.00023026 -5.76959 63.546000 Cu 0.517885 0.801841 0 145 63.546 0.000238194 -5.76929 63.546000 Cu 0.570027 0.832255 1 146 63.546 0.000444308 -5.76919 63.546000 Cu 0.604119 0.810497 0.5 147 63.546 0.000160743 -5.76914 63.546000 Cu 0.810599 0.805966 1.87297e-17 128 63.546 0.00024792 -5.76928 63.546000 Cu 0.69029 0.819117 1.22635e-16 149 63.546 1.29641e-05 -5.76916 63.546000 Cu 0.776467 0.827729 0.5 151 63.546 0.000163387 -5.76926 63.546000 Cu 0.983327 0.823401 5.08378e-17 132 63.546 2.15712e-05 -5.76916 63.546000 Cu 0.896919 0.814659 0.5 133 63.546 0.000172055 -5.76927 63.546000 Cu 0.862714 0.836353 0 153 63.546 0.000559818 -5.76941 63.546000 Cu 0.156096 0.840905 8.60676e-17 159 63.546 0.00021869 -5.76902 63.546000 Cu 0.0355986 0.85384 4.41487e-17 180 63.546 0.000163168 -5.76904 63.546000 Cu 0.122056 0.862633 0.5 182 63.546 0.000658521 -5.76879 63.546000 Cu 0.00136535 0.87545 0.5 183 63.546 0.000747407 -5.76917 63.546000 Cu 0.328623 0.858189 3.56757e-17 163 63.546 0.000492045 -5.76948 63.546000 Cu 0.242348 0.849565 0.5 165 63.546 0.000208521 -5.76929 63.546000 Cu 0.208375 0.871375 0 184 63.546 0.000935442 -5.76877 63.546000 Cu 0.294509 0.879945 0.5 186 63.546 0.000617188 -5.76917 63.546000 Cu 0.449372 0.845201 1 166 63.546 0.000100068 -5.76949 63.546000 Cu 0.414944 0.866793 0.5 169 63.546 0.00139732 -5.76961 63.546000 Cu 0.656274 0.840922 0.5 152 63.546 0.000337974 -5.76901 63.546000 Cu 0.501544 0.875541 7.93784e-17 167 63.546 0.00064781 -5.7693 63.546000 Cu 0.535847 0.853944 0.5 168 63.546 0.000462914 -5.76925 63.546000 Cu 0.622254 0.862688 5.7973e-18 170 63.546 0.00106225 -5.76894 63.546000 Cu 0.742404 0.84952 1 150 63.546 0.000102278 -5.76914 63.546000 Cu 0.828565 0.858103 0.5 156 63.546 0.000579629 -5.76932 63.546000 Cu 0.70849 0.871378 0.5 172 63.546 0.00103974 -5.76875 63.546000 Cu 0.794536 0.879908 1 174 63.546 0.000490128 -5.76903 63.546000 Cu 0.914806 0.866693 9.58784e-17 154 63.546 0.00184178 -5.76953 63.546000 Cu 0.949125 0.845063 0.5 155 63.546 0.000244012 -5.76931 63.546000 Cu 0.087975 0.884307 1 181 63.546 0.00140928 -5.7687 63.546000 Cu 0.0536934 0.90583 0.5 205 63.546 0.00348969 -5.76834 63.546000 Cu 0.140593 0.914815 0 206 63.546 0.00811195 -5.7673 63.546000 Cu 0.260691 0.901869 4.05811e-17 185 63.546 0.00303134 -5.76753 63.546000 Cu 0.174509 0.89316 0.5 187 63.546 0.00313337 -5.76813 63.546000 Cu 0.380638 0.888498 0 188 63.546 0.00192996 -5.76936 63.546000 Cu 0.43246 0.9187 7.67027e-17 189 63.546 0.00975835 -5.76881 63.546000 Cu 0.466882 0.896984 0.5 190 63.546 0.0079964 -5.76911 63.546000 Cu 0.34645 0.910292 0.5 191 63.546 0.00494947 -5.76828 63.546000 Cu 0.588144 0.884371 0.5 173 63.546 0.00191309 -5.76889 63.546000 Cu 0.553811 0.905885 0 192 63.546 0.00353161 -5.76843 63.546000 Cu 0.640696 0.914851 0.5 194 63.546 0.00885507 -5.7675 63.546000 Cu 0.674634 0.893188 1 171 63.546 0.00361543 -5.76827 63.546000 Cu 0.760755 0.901864 0.5 177 63.546 0.00307122 -5.76748 63.546000 Cu 0.846457 0.910264 8.69595e-17 175 63.546 0.00470485 -5.76815 63.546000 Cu 0.880587 0.888437 0.5 176 63.546 0.00202949 -5.76926 63.546000 Cu 0.966784 0.89692 9.72162e-17 178 63.546 0.00857577 -5.76916 63.546000 Cu 0.93242 0.91866 0.5 179 63.546 0.00993814 -5.76877 63.546000 Cu 0.0184009 0.926968 1 204 63.546 0.0426356 -5.76454 63.546000 Cu 0.10653 0.936173 0.5 209 63.546 0.0257235 -5.76175 63.546000 Cu 0.0700107 0.956463 6.55541e-17 224 63.546 0.224461 -5.73832 63.546000 Cu 0.193808 0.945479 1 207 63.546 0.0532275 -5.75563 63.546000 Cu 0.227238 0.923767 0.5 208 63.546 0.0117408 -5.76566 63.546000 Cu 0.31301 0.932566 1 210 63.546 0.0198586 -5.76525 63.546000 Cu 0.279691 0.954765 0.5 213 63.546 0.0728195 -5.75684 63.546000 Cu 0.398165 0.940454 0.5 212 63.546 0.0216305 -5.76542 63.546000 Cu 0.483909 0.948983 5.7973e-18 214 63.546 0.0430207 -5.76438 63.546000 Cu 0.606602 0.936204 1.05243e-16 193 63.546 0.0259625 -5.76182 63.546000 Cu 0.51846 0.927006 0.5 195 63.546 0.0421492 -5.76432 63.546000 Cu 0.570042 0.956483 0.5 216 63.546 0.224412 -5.73783 63.546000 Cu 0.727308 0.923779 0 196 63.546 0.0122319 -5.7658 63.546000 Cu 0.779727 0.954767 3.52297e-17 197 63.546 0.0729989 -5.75689 63.546000 Cu 0.813041 0.932558 0.5 198 63.546 0.0197341 -5.76516 63.546000 Cu 0.693866 0.945496 0.5 199 63.546 0.0543555 -5.75586 63.546000 Cu 0.898165 0.940435 1.11487e-17 200 63.546 0.0215204 -5.76536 63.546000 Cu 0.983886 0.948959 0.5 202 63.546 0.0429054 -5.76446 63.546000 Cu 8.47983e-05 0.999137 0 234 63.546 14.175 -5.53578 63.546000 Cu 0.122268 0.984946 1 225 63.546 10.0368 -5.49281 63.546000 Cu 0.16057 0.966562 0.5 226 63.546 0.262592 -5.69486 63.546000 Cu 0.036358 0.978362 0.5 227 63.546 4.46997 -5.45537 63.546000 Cu 0.247127 0.977326 1 228 63.546 6.65274 -5.52599 63.546000 Cu 0.335451 0.985356 0.5 229 63.546 13.2208 -5.41251 63.546000 Cu 0.364548 0.962919 1.82838e-17 211 63.546 1.10669 -5.61843 63.546000 Cu 0.449286 0.970249 0.5 217 63.546 2.81864 -5.50663 63.546000 Cu 0.5001 0.999141 0.5 249 63.546 12.3365 -5.53576 63.546000 Cu 0.536388 0.978376 2.65784e-16 215 63.546 4.46823 -5.45526 63.546000 Cu 0.660615 0.966574 3.69243e-16 218 63.546 0.26317 -5.69497 63.546000 Cu 0.622305 0.984951 0.5 221 63.546 10.038 -5.49234 63.546000 Cu 0.747165 0.97733 0.5 220 63.546 6.65297 -5.52617 63.546000 Cu 0.835477 0.985353 0 222 63.546 13.2192 -5.41258 63.546000 Cu 0.949287 0.970237 3.56757e-17 201 63.546 2.81741 -5.5069 63.546000 Cu 0.864564 0.962911 0.5 203 63.546 1.10711 -5.61832