Number of particles = 460 A = 1 Angstrom (basic length-scale) H0(1,1) = 19.5711 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 78.3956 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.63413 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 0.0313637 0.011832 1 235 63.546 1.92018 -3.16982 63.546000 Cu 0.122344 0.00627483 0.5 237 63.546 9.10822 -3.02699 63.546000 Cu 0.0642826 0.0344634 0.5 241 63.546 0.0923324 -3.27527 63.546000 Cu 0.152247 0.026414 0 243 63.546 0.200676 -3.24559 63.546000 Cu 0.23748 0.0184465 0.5 245 63.546 0.681332 -3.19756 63.546000 Cu 0.185514 0.0477608 0.5 246 63.546 0.0379702 -3.28282 63.546000 Cu 0.275045 0.0388947 1 244 63.546 0.0781424 -3.26952 63.546000 Cu 0.327591 0.00820851 0 247 63.546 1.85448 -3.16181 63.546000 Cu 0.44692 0.0192785 1 248 63.546 0.508859 -3.20651 63.546000 Cu 0.362021 0.0279821 0.5 250 63.546 0.463332 -3.2403 63.546000 Cu 0.395807 0.0502745 1 264 63.546 0.0755306 -3.27617 63.546000 Cu 0.480014 0.0422742 0.5 266 63.546 0.00817291 -3.28974 63.546000 Cu 0.622349 0.00626833 0 251 63.546 9.10742 -3.027 63.546000 Cu 0.531363 0.0118292 0.5 252 63.546 1.92084 -3.16982 63.546000 Cu 0.564288 0.0344563 0 268 63.546 0.0922636 -3.27529 63.546000 Cu 0.685532 0.0477504 1 269 63.546 0.0377485 -3.28278 63.546000 Cu 0.652259 0.0264049 0.5 270 63.546 0.200438 -3.24559 63.546000 Cu 0.737489 0.0184386 2.72085e-17 272 63.546 0.680815 -3.19753 63.546000 Cu 0.946923 0.0192791 0.5 236 63.546 0.508401 -3.20652 63.546000 Cu 0.980014 0.0422774 1 239 63.546 0.00813923 -3.28971 63.546000 Cu 0.862033 0.0279772 1 273 63.546 0.463764 -3.24037 63.546000 Cu 0.827602 0.00820167 0.5 274 63.546 1.85354 -3.16196 63.546000 Cu 0.775061 0.0388868 0.5 275 63.546 0.0781401 -3.26955 63.546000 Cu 0.895817 0.0502733 0.5 297 63.546 0.0755847 -3.27616 63.546000 Cu 0.0991875 0.0563506 7.56588e-17 240 63.546 0.0256996 -3.28377 63.546000 Cu 0.0137455 0.0645463 0.5 242 63.546 0.0132072 -3.28072 63.546000 Cu 0.0478753 0.0863289 1 256 63.546 0.00964939 -3.28137 63.546000 Cu 0.169128 0.0989794 1.59313e-16 257 63.546 0.00101001 -3.2821 63.546000 Cu 0.134186 0.0777484 0.5 258 63.546 0.0093771 -3.28096 63.546000 Cu 0.221244 0.0688167 0 260 63.546 0.00713374 -3.28039 63.546000 Cu 0.342639 0.0809815 1.19336e-19 261 63.546 0.0236426 -3.28433 63.546000 Cu 0.30929 0.0593444 0.5 262 63.546 0.0522864 -3.28018 63.546000 Cu 0.25613 0.0899522 0.5 263 63.546 0.00884849 -3.28329 63.546000 Cu 0.428518 0.0726893 0.5 267 63.546 0.00424942 -3.28106 63.546000 Cu 0.376142 0.102963 0.5 286 63.546 0.00195932 -3.28241 63.546000 Cu 0.461926 0.0946615 1 288 63.546 0.0040292 -3.28193 63.546000 Cu 0.513753 0.0645389 3.06693e-17 265 63.546 0.0132856 -3.28073 63.546000 Cu 0.599202 0.0563404 0.5 271 63.546 0.0256265 -3.28374 63.546000 Cu 0.547893 0.0863121 0.5 290 63.546 0.00946279 -3.28134 63.546000 Cu 0.634212 0.0777314 6.92147e-18 292 63.546 0.00914196 -3.28092 63.546000 Cu 0.721271 0.0688034 0.5 294 63.546 0.00707125 -3.28036 63.546000 Cu 0.669167 0.0989591 0.5 295 63.546 0.000975268 -3.28211 63.546000 Cu 0.928523 0.0726915 0 238 63.546 0.00417584 -3.28105 63.546000 Cu 0.961922 0.0946735 0.5 254 63.546 0.00406514 -3.28192 63.546000 Cu 0.75616 0.0899392 0 293 63.546 0.00906924 -3.28333 63.546000 Cu 0.809308 0.059337 1 296 63.546 0.0525626 -3.28022 63.546000 Cu 0.842656 0.0809764 0.5 298 63.546 0.02387 -3.28435 63.546000 Cu 0.876157 0.102966 7.63748e-18 321 63.546 0.00194175 -3.28239 63.546000 Cu 0.0824004 0.107793 0.5 259 63.546 0.00333975 -3.28212 63.546000 Cu 0.0304944 0.137895 0.5 278 63.546 0.00126053 -3.28265 63.546000 Cu 0.117021 0.129165 7.93582e-17 280 63.546 0.000316449 -3.28289 63.546000 Cu 0.237914 0.14187 1.33656e-17 281 63.546 0.00161829 -3.28361 63.546000 Cu 0.203678 0.12032 0.5 282 63.546 0.00207434 -3.28354 63.546000 Cu 0.151525 0.150611 0.5 283 63.546 0.000511148 -3.28343 63.546000 Cu 0.290151 0.111499 0 284 63.546 0.00624229 -3.28379 63.546000 Cu 0.410026 0.124808 1 285 63.546 0.00110437 -3.28236 63.546000 Cu 0.324073 0.13326 0.5 287 63.546 0.000819934 -3.28305 63.546000 Cu 0.496053 0.116349 0.5 291 63.546 0.00345653 -3.28219 63.546000 Cu 0.358168 0.154982 0 309 63.546 0.000210321 -3.28272 63.546000 Cu 0.444259 0.146461 0.5 311 63.546 0.00113101 -3.2825 63.546000 Cu 0.582436 0.10777 0 289 63.546 0.00318534 -3.2821 63.546000 Cu 0.530542 0.137863 1 313 63.546 0.00110661 -3.28262 63.546000 Cu 0.651586 0.150581 1.6158e-16 314 63.546 0.000637518 -3.28342 63.546000 Cu 0.617072 0.129136 0.5 315 63.546 0.000292114 -3.28286 63.546000 Cu 0.703728 0.1203 5.57298e-17 317 63.546 0.00221373 -3.28353 63.546000 Cu 0.737962 0.141854 0.5 320 63.546 0.00178192 -3.28361 63.546000 Cu 0.996028 0.116369 0 253 63.546 0.0035453 -3.28219 63.546000 Cu 0.910025 0.124819 0.5 255 63.546 0.00105647 -3.28234 63.546000 Cu 0.944235 0.146489 0 276 63.546 0.00120638 -3.28253 63.546000 Cu 0.824093 0.133259 7.78068e-17 318 63.546 0.000827807 -3.28302 63.546000 Cu 0.790183 0.111491 0.5 319 63.546 0.00634181 -3.28378 63.546000 Cu 0.858164 0.154998 0.5 344 63.546 0.000204077 -3.28273 63.546000 Cu 0.0650373 0.15937 3.49653e-17 277 63.546 0.000140398 -3.28309 63.546000 Cu 0.0131451 0.18958 8.83084e-18 301 63.546 8.71628e-05 -3.28309 63.546000 Cu 0.133941 0.202414 0 302 63.546 0.000173399 -3.28323 63.546000 Cu 0.0995258 0.18087 0.5 303 63.546 9.4162e-05 -3.28328 63.546000 Cu 0.185875 0.172162 5.10757e-17 305 63.546 0.000507199 -3.28335 63.546000 Cu 0.220171 0.193767 0.5 308 63.546 0.000177341 -3.2831 63.546000 Cu 0.306327 0.185181 1 306 63.546 4.89458e-05 -3.28293 63.546000 Cu 0.27207 0.163525 0.5 307 63.546 0.000333518 -3.28314 63.546000 Cu 0.478723 0.168013 1.69457e-17 310 63.546 0.000427602 -3.28284 63.546000 Cu 0.392482 0.176619 0.5 312 63.546 0.000342557 -3.2828 63.546000 Cu 0.34071 0.206798 0.5 332 63.546 8.34206e-05 -3.28292 63.546000 Cu 0.426933 0.19819 0 334 63.546 0.00016655 -3.28295 63.546000 Cu 0.56511 0.15933 0.5 316 63.546 0.000100845 -3.28309 63.546000 Cu 0.513234 0.189532 0.5 336 63.546 4.68079e-05 -3.28308 63.546000 Cu 0.599609 0.180833 0 338 63.546 0.000171115 -3.28327 63.546000 Cu 0.720195 0.193769 0 339 63.546 0.000184615 -3.28309 63.546000 Cu 0.685931 0.172143 0.5 340 63.546 0.000596513 -3.28335 63.546000 Cu 0.634004 0.202392 0.5 341 63.546 0.000259785 -3.28323 63.546000 Cu 0.978665 0.168055 0.5 279 63.546 0.000542457 -3.28285 63.546000 Cu 0.926843 0.198242 0.5 300 63.546 0.000272973 -3.28298 63.546000 Cu 0.772102 0.163525 1.87357e-17 342 63.546 0.000347908 -3.28314 63.546000 Cu 0.892438 0.176655 0 343 63.546 0.000426458 -3.28281 63.546000 Cu 0.806318 0.185203 0.5 345 63.546 3.88011e-05 -3.28292 63.546000 Cu 0.84064 0.206845 5.96678e-18 367 63.546 0.000145698 -3.28295 63.546000 Cu 0.0476075 0.211109 0.5 304 63.546 6.04261e-06 -3.28318 63.546000 Cu 0.0303334 0.262876 0 323 63.546 5.19302e-05 -3.28308 63.546000 Cu 0.0820781 0.232647 2.67312e-17 326 63.546 7.85369e-05 -3.28317 63.546000 Cu 0.202808 0.245584 0 327 63.546 4.9939e-05 -3.28293 63.546000 Cu 0.168352 0.22399 0.5 328 63.546 0.00013348 -3.28312 63.546000 Cu 0.116602 0.254207 0.5 329 63.546 0.000132125 -3.28299 63.546000 Cu 0.254545 0.215382 0 330 63.546 1.96134e-05 -3.28297 63.546000 Cu 0.37515 0.228385 1.43203e-17 331 63.546 9.79117e-05 -3.28297 63.546000 Cu 0.288972 0.236989 0.5 333 63.546 8.55179e-06 -3.28288 63.546000 Cu 0.461411 0.21974 0.5 337 63.546 3.1131e-05 -3.28307 63.546000 Cu 0.323395 0.25859 2.02871e-18 355 63.546 7.1513e-05 -3.28307 63.546000 Cu 0.409607 0.249955 0.5 357 63.546 6.13725e-05 -3.28318 63.546000 Cu 0.495879 0.241289 0 359 63.546 1.07005e-05 -3.2832 63.546000 Cu 0.547701 0.211065 0 335 63.546 3.94482e-05 -3.28318 63.546000 Cu 0.616599 0.254218 1.27689e-17 360 63.546 0.000132953 -3.28298 63.546000 Cu 0.582142 0.232626 0.5 361 63.546 0.000119827 -3.28318 63.546000 Cu 0.530385 0.262854 0.5 362 63.546 6.39441e-05 -3.28309 63.546000 Cu 0.668361 0.223998 0 363 63.546 0.000135775 -3.28312 63.546000 Cu 0.702741 0.245627 0.5 366 63.546 2.16238e-05 -3.28292 63.546000 Cu 0.961295 0.2198 4.46315e-17 299 63.546 0.00010299 -3.28309 63.546000 Cu 0.909463 0.250025 0 322 63.546 0.000179458 -3.2832 63.546000 Cu 0.995768 0.241337 0.5 324 63.546 1.63521e-05 -3.28319 63.546000 Cu 0.788866 0.237051 0 364 63.546 5.47792e-05 -3.2829 63.546000 Cu 0.754508 0.215414 0.5 365 63.546 7.63306e-06 -3.28298 63.546000 Cu 0.875025 0.228453 0.5 368 63.546 0.000228768 -3.283 63.546000 Cu 0.823252 0.25867 0.5 390 63.546 0.000199138 -3.28311 63.546000 Cu 0.0996404 0.306 2.36285e-17 348 63.546 0.000405933 -3.28285 63.546000 Cu 0.0649643 0.284409 0.5 349 63.546 0.000355744 -3.28293 63.546000 Cu 0.013502 0.314615 0.5 350 63.546 0.000577253 -3.28287 63.546000 Cu 0.15112 0.275785 0 351 63.546 0.00021548 -3.28291 63.546000 Cu 0.237251 0.26719 0.5 353 63.546 4.15775e-05 -3.283 63.546000 Cu 0.185666 0.297427 0.5 354 63.546 3.94219e-05 -3.28299 63.546000 Cu 0.271726 0.288837 0 352 63.546 0.000133083 -3.28319 63.546000 Cu 0.444121 0.271528 0 356 63.546 3.24638e-05 -3.28319 63.546000 Cu 0.357879 0.280201 0.5 358 63.546 0.000189384 -3.28324 63.546000 Cu 0.306262 0.310472 0.5 378 63.546 0.000437246 -3.28342 63.546000 Cu 0.392471 0.301775 7.75682e-18 380 63.546 0.000126705 -3.2833 63.546000 Cu 0.478711 0.293075 0.5 382 63.546 0.00012368 -3.28309 63.546000 Cu 0.513479 0.314636 1 381 63.546 0.000480405 -3.28295 63.546000 Cu 0.564929 0.28442 0 384 63.546 0.000330282 -3.28293 63.546000 Cu 0.685553 0.297493 3.81874e-17 385 63.546 4.90346e-05 -3.28295 63.546000 Cu 0.651051 0.275829 0.5 386 63.546 0.000150747 -3.28287 63.546000 Cu 0.599562 0.306039 0.5 387 63.546 0.00036813 -3.28285 63.546000 Cu 0.737139 0.267263 0 388 63.546 3.49674e-05 -3.28299 63.546000 Cu 0.944025 0.271582 0.5 325 63.546 9.72356e-05 -3.28321 63.546000 Cu 0.978706 0.293094 0 347 63.546 9.86282e-05 -3.28306 63.546000 Cu 0.857757 0.28028 8.93824e-17 389 63.546 0.000414325 -3.28329 63.546000 Cu 0.771598 0.288923 0.5 391 63.546 0.000358957 -3.2832 63.546000 Cu 0.806137 0.310545 1.3294e-16 412 63.546 0.000865519 -3.28339 63.546000 Cu 0.892402 0.301823 0.5 413 63.546 0.000183936 -3.28325 63.546000 Cu 0.0482794 0.336184 4.96436e-17 372 63.546 0.00122659 -3.28257 63.546000 Cu 0.16872 0.349406 2.56572e-17 373 63.546 0.000845965 -3.28304 63.546000 Cu 0.134234 0.327657 0.5 374 63.546 0.000199839 -3.28281 63.546000 Cu 0.0829686 0.357877 0.5 375 63.546 0.000861187 -3.28237 63.546000 Cu 0.220203 0.319106 0 376 63.546 0.000261631 -3.28322 63.546000 Cu 0.340965 0.332059 0 377 63.546 0.000505663 -3.28346 63.546000 Cu 0.25473 0.340787 0.5 379 63.546 0.00147423 -3.28365 63.546000 Cu 0.42727 0.323317 0.5 383 63.546 0.000120601 -3.28315 63.546000 Cu 0.289349 0.362348 2.80439e-17 400 63.546 0.00182003 -3.28366 63.546000 Cu 0.375852 0.35353 0.5 402 63.546 0.00032925 -3.28292 63.546000 Cu 0.462199 0.344822 2.26738e-18 404 63.546 0.00115035 -3.28265 63.546000 Cu 0.497096 0.366386 0.5 407 63.546 0.00292177 -3.28214 63.546000 Cu 0.582956 0.357939 1 405 63.546 0.000634322 -3.28237 63.546000 Cu 0.548309 0.336234 0.5 406 63.546 0.00109598 -3.2826 63.546000 Cu 0.634206 0.327725 1.00003e-16 408 63.546 0.000113455 -3.28278 63.546000 Cu 0.720102 0.319188 0.5 410 63.546 0.000582747 -3.28318 63.546000 Cu 0.668754 0.349483 0.5 411 63.546 0.00115338 -3.28302 63.546000 Cu 0.927245 0.323315 0 346 63.546 0.000169686 -3.28304 63.546000 Cu 0.997194 0.366353 1 369 63.546 0.00312859 -3.2821 63.546000 Cu 0.96222 0.344793 0.5 370 63.546 0.00134714 -3.28262 63.546000 Cu 0.754739 0.340859 1.34253e-16 409 63.546 0.00206892 -3.2836 63.546000 Cu 0.840926 0.332092 0.5 414 63.546 0.000547033 -3.28341 63.546000 Cu 0.789488 0.362387 0.5 435 63.546 0.00165434 -3.28365 63.546000 Cu 0.875967 0.353532 3.42493e-17 437 63.546 0.000373825 -3.28294 63.546000 Cu 0.065837 0.410074 0 393 63.546 0.00392147 -3.28158 63.546000 Cu 0.0318107 0.388077 0.5 394 63.546 0.00325743 -3.28194 63.546000 Cu 0.117374 0.379745 0 396 63.546 0.00191566 -3.28245 63.546000 Cu 0.237775 0.392755 6.32479e-17 397 63.546 0.00820864 -3.28364 63.546000 Cu 0.203115 0.371174 0.5 398 63.546 0.0056047 -3.28384 63.546000 Cu 0.151543 0.401743 0.5 399 63.546 0.0226257 -3.2844 63.546000 Cu 0.410929 0.374939 1 401 63.546 0.00328424 -3.28209 63.546000 Cu 0.324436 0.383727 0.5 403 63.546 0.00126579 -3.28225 63.546000 Cu 0.273303 0.413914 0.5 423 63.546 0.00766291 -3.28069 63.546000 Cu 0.359993 0.404998 0 425 63.546 0.0104239 -3.28087 63.546000 Cu 0.480787 0.418294 2.41058e-17 426 63.546 0.0102108 -3.28034 63.546000 Cu 0.44598 0.396446 0.5 427 63.546 0.00885768 -3.28123 63.546000 Cu 0.531714 0.388116 1 429 63.546 0.00272863 -3.28188 63.546000 Cu 0.651567 0.401762 0 430 63.546 0.022672 -3.28454 63.546000 Cu 0.617329 0.379794 0.5 431 63.546 0.00210865 -3.28253 63.546000 Cu 0.565787 0.410094 0.5 432 63.546 0.00425782 -3.28153 63.546000 Cu 0.703188 0.371229 4.89276e-17 433 63.546 0.00601128 -3.28391 63.546000 Cu 0.737851 0.392776 0.5 436 63.546 0.00812357 -3.28359 63.546000 Cu 0.911077 0.374927 0.5 371 63.546 0.00354446 -3.28202 63.546000 Cu 0.946079 0.396418 0 392 63.546 0.00977148 -3.28123 63.546000 Cu 0.980882 0.418284 0.5 395 63.546 0.00986612 -3.28041 63.546000 Cu 0.824573 0.383739 0 434 63.546 0.0011449 -3.28216 63.546000 Cu 0.773363 0.413903 0 455 63.546 0.00802997 -3.2804 63.546000 Cu 0.860097 0.404986 0.5 457 63.546 0.0109262 -3.28078 63.546000 Cu 0.0154058 0.440589 0 417 63.546 0.00471953 -3.29043 63.546000 Cu 0.13419 0.454782 1 418 63.546 0.444597 -3.2419 63.546000 Cu 0.0994462 0.432449 0.5 419 63.546 0.0665351 -3.27716 63.546000 Cu 0.0498981 0.463427 0.5 420 63.546 0.478541 -3.20602 63.546000 Cu 0.185669 0.423384 1.68263e-17 421 63.546 0.0481668 -3.28212 63.546000 Cu 0.220595 0.443883 0.5 424 63.546 0.0823873 -3.274 63.546000 Cu 0.309839 0.435026 9.83326e-17 422 63.546 0.0427353 -3.28152 63.546000 Cu 0.395724 0.426486 0.5 428 63.546 0.0235368 -3.28335 63.546000 Cu 0.258906 0.464237 2.25544e-17 443 63.546 0.840284 -3.17721 63.546000 Cu 0.343902 0.456485 0.5 445 63.546 0.240244 -3.23995 63.546000 Cu 0.431508 0.448471 7.32721e-17 447 63.546 0.0918056 -3.27344 63.546000 Cu 0.464979 0.471194 0.5 450 63.546 2.07917 -3.16515 63.546000 Cu 0.549943 0.463458 5.40591e-17 448 63.546 0.488788 -3.20565 63.546000 Cu 0.515389 0.4406 0.5 449 63.546 0.00507051 -3.29011 63.546000 Cu 0.599318 0.432456 7.60168e-17 451 63.546 0.0699448 -3.27711 63.546000 Cu 0.720581 0.443847 1 452 63.546 0.0859736 -3.27394 63.546000 Cu 0.685627 0.423385 0.5 453 63.546 0.0499583 -3.28208 63.546000 Cu 0.634139 0.454777 0.5 454 63.546 0.453794 -3.24148 63.546000 Cu 0.84399 0.456468 1.14562e-17 18 63.546 0.245948 -3.23942 63.546000 Cu 0.759031 0.464163 0.5 229 63.546 0.883045 -3.17531 63.546000 Cu 0.965011 0.471203 1.5084e-16 415 63.546 2.05621 -3.16648 63.546000 Cu 0.931491 0.44846 0.5 416 63.546 0.0871554 -3.27324 63.546000 Cu 0.895829 0.426461 4.37962e-17 456 63.546 0.0247864 -3.28346 63.546000 Cu 0.809901 0.434983 0.5 458 63.546 0.0455985 -3.28106 63.546000 Cu 0.0521969 0.519156 0.5 3 63.546 0.509101 -3.20535 63.546000 Cu 0.171441 0.508047 0.5 20 63.546 1.87271 -3.16297 63.546000 Cu 0.0839763 0.491237 5.1553e-17 440 63.546 10.3538 -3.22509 63.546000 Cu 0.21101 0.491371 0 441 63.546 10.7651 -2.85919 63.546000 Cu 0.16939 0.474739 0.5 442 63.546 1.95965 -3.1719 63.546000 Cu 0.376851 0.506151 1 4 63.546 9.10966 -3.02725 63.546000 Cu 0.467917 0.511692 0.5 6 63.546 1.92824 -3.16951 63.546000 Cu 0.261607 0.51833 1 21 63.546 0.683514 -3.19732 63.546000 Cu 0.346927 0.526286 0.5 23 63.546 0.201846 -3.24615 63.546000 Cu 0.373961 0.476618 5.17917e-17 444 63.546 9.17797 -3.02977 63.546000 Cu 0.296353 0.491652 0.5 446 63.546 8.50555 -3.23848 63.546000 Cu 0.492388 0.491291 1 459 63.546 9.55304 -3.04316 63.546000 Cu 0.552449 0.519108 2.27931e-17 5 63.546 0.506029 -3.2069 63.546000 Cu 0.671814 0.508011 1.37713e-16 7 63.546 1.82902 -3.16362 63.546000 Cu 0.71127 0.491317 0.5 222 63.546 10.6648 -2.85986 63.546000 Cu 0.669645 0.474708 5.1553e-17 233 63.546 1.96356 -3.1697 63.546000 Cu 0.584045 0.491285 0.5 460 63.546 10.3698 -3.22567 63.546000 Cu 0.87409 0.476632 0.5 1 63.546 9.18633 -3.03062 63.546000 Cu 0.877112 0.506156 0.5 2 63.546 9.11914 -3.02732 63.546000 Cu 0.761847 0.518293 0.5 9 63.546 0.666542 -3.19929 63.546000 Cu 0.847009 0.526278 5.48944e-17 11 63.546 0.198437 -3.24736 63.546000 Cu 0.796677 0.491714 1.21603e-16 232 63.546 8.45159 -3.23852 63.546000 Cu 0.967788 0.511615 1.51556e-16 438 63.546 1.90638 -3.16945 63.546000 Cu 0.992672 0.491284 0.5 439 63.546 9.65444 -3.0422 63.546000 Cu 0.0189164 0.542135 1.33656e-17 15 63.546 0.00703628 -3.28966 63.546000 Cu 0.0703193 0.572572 1.32463e-17 16 63.546 0.00428791 -3.2811 63.546000 Cu 0.137061 0.527875 5.13143e-18 19 63.546 0.459007 -3.24007 63.546000 Cu 0.223939 0.538746 0.5 24 63.546 0.0759231 -3.26953 63.546000 Cu 0.103137 0.550152 0.5 41 63.546 0.0748253 -3.27643 63.546000 Cu 0.189674 0.559215 2.27931e-17 42 63.546 0.0518292 -3.28062 63.546000 Cu 0.313522 0.547637 1 22 63.546 0.0381172 -3.28251 63.546000 Cu 0.434948 0.534314 1 25 63.546 0.0940523 -3.27509 63.546000 Cu 0.485397 0.564408 1 26 63.546 0.0139708 -3.28078 63.546000 Cu 0.399976 0.5562 0.5 28 63.546 0.0262333 -3.28375 63.546000 Cu 0.277783 0.568656 0.5 44 63.546 0.00672572 -3.28032 63.546000 Cu 0.364829 0.5776 1 46 63.546 0.00942592 -3.28099 63.546000 Cu 0.724057 0.538718 0 8 63.546 0.0775392 -3.26943 63.546000 Cu 0.637221 0.527789 0.5 10 63.546 0.467316 -3.24099 63.546000 Cu 0.519229 0.54212 0.5 27 63.546 0.00816996 -3.2896 63.546000 Cu 0.603348 0.550113 0 29 63.546 0.0755545 -3.2759 63.546000 Cu 0.689744 0.559172 0.5 31 63.546 0.055867 -3.28041 63.546000 Cu 0.570539 0.572567 0.5 32 63.546 0.0042853 -3.28101 63.546000 Cu 0.899743 0.556224 9.41558e-17 12 63.546 0.0261637 -3.28367 63.546000 Cu 0.934928 0.534308 0.5 13 63.546 0.0969436 -3.27419 63.546000 Cu 0.813583 0.54763 0.5 14 63.546 0.0406979 -3.28261 63.546000 Cu 0.985136 0.564433 0.5 17 63.546 0.0140709 -3.2808 63.546000 Cu 0.777646 0.568672 8.03129e-17 33 63.546 0.00703635 -3.28041 63.546000 Cu 0.864613 0.57763 0.5 35 63.546 0.00948631 -3.28093 63.546000 Cu 0.00281409 0.616238 3.4846e-17 38 63.546 0.00307181 -3.28214 63.546000 Cu 0.0370055 0.594558 0.5 39 63.546 0.00463685 -3.28189 63.546000 Cu 0.242804 0.589792 3.58007e-17 43 63.546 0.00981388 -3.28342 63.546000 Cu 0.156214 0.580853 0.5 45 63.546 0.0237386 -3.28444 63.546000 Cu 0.122816 0.602848 0 64 63.546 0.00179127 -3.28245 63.546000 Cu 0.208798 0.611354 0.5 66 63.546 0.00653177 -3.28376 63.546000 Cu 0.088908 0.624694 0.5 67 63.546 0.00102361 -3.28243 63.546000 Cu 0.416604 0.607666 4.63022e-17 47 63.546 0.0037872 -3.282 63.546000 Cu 0.451129 0.586197 0.5 48 63.546 0.00987373 -3.28142 63.546000 Cu 0.329826 0.598823 0.5 49 63.546 0.000883117 -3.28208 63.546000 Cu 0.295286 0.620154 0 68 63.546 0.00278787 -3.28355 63.546000 Cu 0.381965 0.629023 0.5 70 63.546 0.000427829 -3.28282 63.546000 Cu 0.656269 0.580856 1 30 63.546 0.023661 -3.28417 63.546000 Cu 0.742639 0.589829 0.5 36 63.546 0.0102294 -3.28331 63.546000 Cu 0.537057 0.594554 1 50 63.546 0.00410837 -3.28193 63.546000 Cu 0.589005 0.624753 1 51 63.546 0.00175237 -3.28251 63.546000 Cu 0.622775 0.602884 0.5 52 63.546 0.00149778 -3.28232 63.546000 Cu 0.502966 0.616252 0.5 53 63.546 0.00353215 -3.28212 63.546000 Cu 0.708745 0.611411 0 54 63.546 0.00606793 -3.2836 63.546000 Cu 0.829612 0.59885 2.20771e-17 34 63.546 0.00110574 -3.28202 63.546000 Cu 0.950993 0.586225 8.59217e-18 37 63.546 0.0107535 -3.28144 63.546000 Cu 0.916394 0.607679 0.5 40 63.546 0.00349346 -3.28206 63.546000 Cu 0.795176 0.620204 0.5 56 63.546 0.00278869 -3.28346 63.546000 Cu 0.881875 0.629037 3.63974e-17 58 63.546 0.000339953 -3.28285 63.546000 Cu 0.0548653 0.646351 9.54685e-19 62 63.546 0.000939149 -3.28259 63.546000 Cu 0.0207224 0.667938 0.5 63 63.546 0.000741077 -3.2828 63.546000 Cu 0.174982 0.633131 0 65 63.546 0.000719767 -3.28299 63.546000 Cu 0.107008 0.676536 1.43203e-18 88 63.546 0.000627006 -3.28269 63.546000 Cu 0.141002 0.654863 0.5 89 63.546 8.95066e-05 -3.28264 63.546000 Cu 0.227127 0.66338 4.9763e-17 90 63.546 0.000602334 -3.28292 63.546000 Cu 0.347513 0.650472 0 69 63.546 0.000590061 -3.28325 63.546000 Cu 0.261151 0.64172 0.5 71 63.546 0.00190694 -3.2835 63.546000 Cu 0.468467 0.637757 0 72 63.546 0.000795539 -3.28254 63.546000 Cu 0.434042 0.659228 0.5 75 63.546 0.000152991 -3.28291 63.546000 Cu 0.313391 0.672011 0.5 92 63.546 0.000773745 -3.2831 63.546000 Cu 0.399864 0.680724 0 94 63.546 0.000173231 -3.28308 63.546000 Cu 0.674978 0.633216 0.5 57 63.546 0.000452085 -3.283 63.546000 Cu 0.520591 0.667925 4.89276e-18 73 63.546 0.000264431 -3.28276 63.546000 Cu 0.554829 0.646392 0.5 74 63.546 0.00113278 -3.28259 63.546000 Cu 0.641053 0.654957 2.38671e-17 76 63.546 0.000500987 -3.28272 63.546000 Cu 0.727263 0.663494 0.5 78 63.546 0.000105676 -3.28297 63.546000 Cu 0.607018 0.676577 0.5 79 63.546 0.00048471 -3.28274 63.546000 Cu 0.761121 0.641797 6.26512e-17 55 63.546 0.00164696 -3.28353 63.546000 Cu 0.934199 0.659255 0 59 63.546 0.000115083 -3.28303 63.546000 Cu 0.968467 0.63777 0.5 60 63.546 0.00119906 -3.28267 63.546000 Cu 0.847577 0.650502 0.5 61 63.546 0.000814388 -3.28336 63.546000 Cu 0.813519 0.672083 0 80 63.546 0.000686535 -3.28316 63.546000 Cu 0.899917 0.680757 0.5 82 63.546 0.000365382 -3.28318 63.546000 Cu 0.0384603 0.719688 1.36043e-17 85 63.546 3.28614e-05 -3.28313 63.546000 Cu 0.072799 0.69812 0.5 86 63.546 0.00025618 -3.28284 63.546000 Cu 0.193199 0.685071 0.5 93 63.546 7.34873e-05 -3.2828 63.546000 Cu 0.159108 0.706724 1.42009e-17 111 63.546 0.000241835 -3.28287 63.546000 Cu 0.245306 0.715302 0.5 113 63.546 7.68546e-05 -3.28299 63.546000 Cu 0.124784 0.728342 0.5 114 63.546 0.000104203 -3.28305 63.546000 Cu 0.279401 0.693637 1 91 63.546 0.000331885 -3.28308 63.546000 Cu 0.452119 0.710979 0 95 63.546 0.000104131 -3.28316 63.546000 Cu 0.486401 0.689436 0.5 96 63.546 7.01432e-05 -3.28299 63.546000 Cu 0.365711 0.702289 0.5 97 63.546 0.000282836 -3.28326 63.546000 Cu 0.331513 0.723911 0 115 63.546 0.000141064 -3.28316 63.546000 Cu 0.417783 0.732556 0.5 117 63.546 0.000148209 -3.28312 63.546000 Cu 0.693316 0.685171 0 77 63.546 0.000228702 -3.28281 63.546000 Cu 0.572832 0.698136 0 98 63.546 0.000195304 -3.28295 63.546000 Cu 0.624816 0.728383 0 99 63.546 0.000161121 -3.28302 63.546000 Cu 0.659146 0.706794 0.5 100 63.546 0.000287773 -3.28293 63.546000 Cu 0.538488 0.719685 0.5 101 63.546 1.93003e-05 -3.28306 63.546000 Cu 0.745369 0.715402 0 102 63.546 7.74966e-05 -3.28295 63.546000 Cu 0.865746 0.702352 1 81 63.546 0.000257723 -3.28325 63.546000 Cu 0.779515 0.693739 0.5 83 63.546 8.72175e-05 -3.28298 63.546000 Cu 0.98639 0.689458 1.12176e-17 84 63.546 5.5801e-05 -3.28297 63.546000 Cu 0.952108 0.711014 0.5 87 63.546 0.000107036 -3.28323 63.546000 Cu 0.831588 0.723997 0.5 104 63.546 5.71719e-05 -3.28312 63.546000 Cu 0.917865 0.732625 0 106 63.546 8.02848e-05 -3.28321 63.546000 Cu 0.00414681 0.741284 0.5 108 63.546 1.65983e-05 -3.28323 63.546000 Cu 0.0560535 0.771561 0.5 110 63.546 7.04079e-05 -3.28322 63.546000 Cu 0.211005 0.736953 2.76859e-17 112 63.546 2.25063e-05 -3.28295 63.546000 Cu 0.0904389 0.749955 0 134 63.546 5.97477e-05 -3.2832 63.546000 Cu 0.142294 0.780234 0 135 63.546 0.000199847 -3.28322 63.546000 Cu 0.176659 0.758596 0.5 136 63.546 7.0624e-05 -3.28306 63.546000 Cu 0.228458 0.788868 0.5 140 63.546 0.00016743 -3.28314 63.546000 Cu 0.383381 0.754157 0 116 63.546 0.000126574 -3.28297 63.546000 Cu 0.297185 0.745549 0.5 118 63.546 3.24233e-05 -3.28299 63.546000 Cu 0.469613 0.762803 0.5 122 63.546 0.000145436 -3.28307 63.546000 Cu 0.262806 0.767197 0 137 63.546 1.76292e-05 -3.28296 63.546000 Cu 0.348939 0.775778 0.5 139 63.546 0.000135045 -3.28281 63.546000 Cu 0.435086 0.78438 0 141 63.546 0.000360314 -3.28286 63.546000 Cu 0.711084 0.737033 0.5 105 63.546 0.000154134 -3.28291 63.546000 Cu 0.504086 0.741234 0 119 63.546 6.1786e-05 -3.2831 63.546000 Cu 0.555926 0.77151 2.50605e-17 120 63.546 1.82156e-05 -3.28325 63.546000 Cu 0.59041 0.749945 0.5 121 63.546 4.1413e-05 -3.28318 63.546000 Cu 0.676712 0.758637 2.12417e-17 123 63.546 0.000175903 -3.2831 63.546000 Cu 0.728494 0.788918 2.73279e-17 124 63.546 0.000291022 -3.28319 63.546000 Cu 0.642243 0.780237 0.5 126 63.546 0.000197284 -3.28331 63.546000 Cu 0.797293 0.74564 0 103 63.546 1.46924e-05 -3.28293 63.546000 Cu 0.969754 0.762886 0 107 63.546 5.22287e-05 -3.28309 63.546000 Cu 0.883519 0.754248 0.5 109 63.546 5.60027e-05 -3.28297 63.546000 Cu 0.762918 0.767272 0.5 125 63.546 5.35808e-05 -3.28297 63.546000 Cu 0.849097 0.775868 0 127 63.546 6.10469e-05 -3.28283 63.546000 Cu 0.935261 0.784473 0.5 129 63.546 0.000184944 -3.28288 63.546000 Cu 0.0215341 0.793133 0 131 63.546 7.14189e-05 -3.28304 63.546000 Cu 0.0731443 0.823374 6.37252e-17 132 63.546 0.000169782 -3.28308 63.546000 Cu 0.107814 0.801835 0.5 157 63.546 0.000196176 -3.28324 63.546000 Cu 0.194066 0.810536 9.14111e-17 158 63.546 0.000686753 -3.28338 63.546000 Cu 0.245706 0.840877 0 159 63.546 0.00198768 -3.28362 63.546000 Cu 0.159476 0.832133 0.5 161 63.546 0.00069488 -3.28345 63.546000 Cu 0.314516 0.797443 7.005e-17 138 63.546 6.39478e-05 -3.28287 63.546000 Cu 0.486706 0.814606 0 142 63.546 0.000762172 -3.28286 63.546000 Cu 0.400557 0.805996 0.5 144 63.546 0.000523294 -3.28278 63.546000 Cu 0.280132 0.819162 0.5 160 63.546 0.00037991 -3.28314 63.546000 Cu 0.366078 0.827699 3.73521e-17 162 63.546 0.000189276 -3.28273 63.546000 Cu 0.452006 0.836216 0.5 164 63.546 0.00132726 -3.28256 63.546000 Cu 0.521364 0.793058 0.5 143 63.546 0.00015299 -3.28303 63.546000 Cu 0.607689 0.8018 0 145 63.546 9.27777e-05 -3.28325 63.546000 Cu 0.659389 0.832112 0 146 63.546 0.000524867 -3.28343 63.546000 Cu 0.69402 0.810548 0.5 147 63.546 0.000688185 -3.28336 63.546000 Cu 0.572999 0.823317 0.5 148 63.546 0.000236829 -3.28309 63.546000 Cu 0.745672 0.840886 0.5 152 63.546 0.00186903 -3.28361 63.546000 Cu 0.900707 0.806084 0 128 63.546 0.000309322 -3.2828 63.546000 Cu 0.814621 0.797519 0.5 130 63.546 4.79145e-05 -3.28292 63.546000 Cu 0.986865 0.814688 0.5 133 63.546 0.00047566 -3.28286 63.546000 Cu 0.780151 0.819208 4.34382e-17 149 63.546 0.000470865 -3.28313 63.546000 Cu 0.866159 0.827764 0.5 151 63.546 0.000146404 -3.28271 63.546000 Cu 0.952114 0.836286 0 153 63.546 0.00102385 -3.28251 63.546000 Cu 0.00327042 0.866442 3.06693e-17 154 63.546 0.00326954 -3.28207 63.546000 Cu 0.0382454 0.844885 0.5 155 63.546 0.00111622 -3.28258 63.546000 Cu 0.124558 0.853614 9.14111e-17 180 63.546 0.000399944 -3.28292 63.546000 Cu 0.175839 0.883839 1 181 63.546 0.00120982 -3.28226 63.546000 Cu 0.211025 0.862465 0.5 182 63.546 0.00239829 -3.28367 63.546000 Cu 0.0893675 0.875017 0.5 183 63.546 0.00368779 -3.28208 63.546000 Cu 0.417395 0.857937 1 163 63.546 0.000935685 -3.28235 63.546000 Cu 0.331658 0.849486 0.5 165 63.546 0.000929236 -3.28293 63.546000 Cu 0.297216 0.87129 0 184 63.546 0.00644068 -3.28376 63.546000 Cu 0.38293 0.879841 0.5 186 63.546 0.00191831 -3.28236 63.546000 Cu 0.262465 0.892876 0.5 187 63.546 0.00889988 -3.2837 63.546000 Cu 0.468427 0.888162 4.98823e-17 188 63.546 0.00317154 -3.28185 63.546000 Cu 0.538123 0.844826 8.86664e-17 166 63.546 0.00146732 -3.28266 63.546000 Cu 0.589291 0.874982 0 167 63.546 0.00401074 -3.28217 63.546000 Cu 0.624464 0.853578 0.5 168 63.546 0.000414772 -3.28297 63.546000 Cu 0.50319 0.866397 0.5 169 63.546 0.0036083 -3.28214 63.546000 Cu 0.710965 0.862453 0 170 63.546 0.00214715 -3.28368 63.546000 Cu 0.675777 0.883819 0.5 173 63.546 0.00121557 -3.28228 63.546000 Cu 0.831682 0.849518 1.55136e-16 150 63.546 0.00101464 -3.28294 63.546000 Cu 0.91745 0.857981 0.5 156 63.546 0.000897873 -3.28232 63.546000 Cu 0.762433 0.892872 1.46783e-16 171 63.546 0.00867857 -3.28369 63.546000 Cu 0.797201 0.871299 0.5 172 63.546 0.00635156 -3.2838 63.546000 Cu 0.882945 0.879863 0 174 63.546 0.00199064 -3.28242 63.546000 Cu 0.968469 0.88819 0.5 176 63.546 0.00309052 -3.28185 63.546000 Cu 0.0541167 0.896532 7.99549e-18 178 63.546 0.00964101 -3.28124 63.546000 Cu 0.0191183 0.918393 0.5 179 63.546 0.010952 -3.28023 63.546000 Cu 0.104091 0.926582 9.80939e-17 204 63.546 0.0256807 -3.28318 63.546000 Cu 0.140084 0.905105 0.5 205 63.546 0.0105526 -3.28088 63.546000 Cu 0.226718 0.914048 4.79729e-17 206 63.546 0.00748513 -3.28072 63.546000 Cu 0.18992 0.935137 0.5 209 63.546 0.0449278 -3.28114 63.546000 Cu 0.348605 0.901862 1 185 63.546 0.0230704 -3.28434 63.546000 Cu 0.43418 0.910184 0.5 191 63.546 0.00392928 -3.28144 63.546000 Cu 0.279165 0.944019 1.06805e-16 207 63.546 0.0823708 -3.27392 63.546000 Cu 0.314254 0.923537 0.5 208 63.546 0.0515271 -3.2824 63.546000 Cu 0.400434 0.932588 0 210 63.546 0.0688 -3.277 63.546000 Cu 0.484286 0.940725 0.5 212 63.546 0.00469404 -3.28991 63.546000 Cu 0.519093 0.918375 6.88567e-17 189 63.546 0.0110953 -3.28024 63.546000 Cu 0.554067 0.896504 0.5 190 63.546 0.00998461 -3.28131 63.546000 Cu 0.640036 0.905085 9.22465e-17 192 63.546 0.0109394 -3.28095 63.546000 Cu 0.689896 0.935125 1.0239e-16 193 63.546 0.0452889 -3.28122 63.546000 Cu 0.726686 0.914036 0.5 194 63.546 0.00749083 -3.28073 63.546000 Cu 0.60406 0.926566 0.5 195 63.546 0.026105 -3.28326 63.546000 Cu 0.934193 0.910199 5.79971e-17 175 63.546 0.00400531 -3.28147 63.546000 Cu 0.848596 0.901869 0.5 177 63.546 0.0230303 -3.28438 63.546000 Cu 0.814239 0.923534 7.18401e-17 196 63.546 0.0511087 -3.28235 63.546000 Cu 0.900435 0.932592 0.5 198 63.546 0.0687582 -3.27705 63.546000 Cu 0.779148 0.944012 0.5 199 63.546 0.0823326 -3.27389 63.546000 Cu 0.984296 0.940731 3.413e-17 200 63.546 0.004796 -3.28995 63.546000 Cu 0.0346047 0.97133 5.70424e-17 201 63.546 2.08615 -3.16536 63.546000 Cu 0.0681403 0.948582 0.5 202 63.546 0.0937526 -3.27303 63.546000 Cu 0.00697162 0.991435 0.5 223 63.546 9.58164 -3.04298 63.546000 Cu 0.155716 0.956598 8.06709e-17 224 63.546 0.239271 -3.24053 63.546000 Cu 0.202997 0.991744 1.38429e-17 225 63.546 8.52824 -3.2388 63.546000 Cu 0.240699 0.964354 0.5 226 63.546 0.842782 -3.17745 63.546000 Cu 0.12554 0.976741 0.5 227 63.546 9.17679 -3.03053 63.546000 Cu 0.4155 0.991422 0.5 249 63.546 10.362 -3.22488 63.546000 Cu 0.449662 0.963586 9.73779e-17 211 63.546 0.485703 -3.20533 63.546000 Cu 0.365496 0.954937 0.5 213 63.546 0.451815 -3.2417 63.546000 Cu 0.33012 0.974898 1.51556e-16 228 63.546 1.96373 -3.17166 63.546000 Cu 0.288348 0.991504 0.5 230 63.546 10.7305 -2.8592 63.546000 Cu 0.568123 0.948572 8.4609e-17 214 63.546 0.0939925 -3.27304 63.546000 Cu 0.625533 0.976734 4.35575e-17 215 63.546 9.17774 -3.03054 63.546000 Cu 0.655697 0.956588 0.5 216 63.546 0.239359 -3.24053 63.546000 Cu 0.534599 0.971324 0.5 217 63.546 2.08633 -3.16535 63.546000 Cu 0.740686 0.964347 7.57781e-17 218 63.546 0.84348 -3.17752 63.546000 Cu 0.702998 0.991738 0.5 221 63.546 8.52739 -3.2388 63.546000 Cu 0.50697 0.991432 2.98339e-17 231 63.546 9.5816 -3.04301 63.546000 Cu 0.915499 0.991422 1 234 63.546 10.3617 -3.22501 63.546000 Cu 0.865491 0.954936 2.50605e-18 197 63.546 0.451728 -3.24169 63.546000 Cu 0.949664 0.963588 0.5 203 63.546 0.485926 -3.20535 63.546000 Cu 0.788348 0.991497 1.61461e-16 219 63.546 10.7281 -2.85917 63.546000 Cu 0.830113 0.974894 0.5 220 63.546 1.96395 -3.1715