Number of particles = 460 A = 1 Angstrom (basic length-scale) H0(1,1) = 19.5271 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 78.3844 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.6381 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 0.0632457 0.0385203 1.53209e-16 245 63.546 0.0924089 -3.39276 63.546000 Cu 0.031282 0.0158301 0.5 246 63.546 1.92686 -3.30706 63.546000 Cu 0.120703 0.0104624 1.20248e-17 248 63.546 9.20191 -3.1576 63.546000 Cu 0.236912 0.0228724 1 249 63.546 0.83061 -3.28849 63.546000 Cu 0.151326 0.0304831 0.5 251 63.546 0.233455 -3.36756 63.546000 Cu 0.0983399 0.0603001 0.5 263 63.546 0.0213944 -3.40736 63.546000 Cu 0.184497 0.0519051 1 265 63.546 0.0484164 -3.40088 63.546000 Cu 0.326486 0.0123194 0.5 253 63.546 1.91225 -3.28866 63.546000 Cu 0.273821 0.0429262 0.5 267 63.546 0.0499106 -3.3917 63.546000 Cu 0.360802 0.0324146 1 269 63.546 0.41368 -3.3667 63.546000 Cu 0.479122 0.0461937 1 270 63.546 0.00701254 -3.40403 63.546000 Cu 0.445285 0.0236198 0.5 271 63.546 0.519968 -3.32964 63.546000 Cu 0.394654 0.0544963 0.5 272 63.546 0.0507105 -3.40363 63.546000 Cu 0.736912 0.0228724 0.5 237 63.546 0.83061 -3.28849 63.546000 Cu 0.531282 0.0158301 1 273 63.546 1.92686 -3.30706 63.546000 Cu 0.651326 0.0304831 1 274 63.546 0.233455 -3.36756 63.546000 Cu 0.620703 0.0104624 0.5 275 63.546 9.20191 -3.1576 63.546000 Cu 0.563246 0.0385203 0.5 276 63.546 0.0924089 -3.39276 63.546000 Cu 0.59834 0.0603001 2.92574e-17 297 63.546 0.0213944 -3.40736 63.546000 Cu 0.684497 0.0519051 0.5 298 63.546 0.0484164 -3.40088 63.546000 Cu 0.826486 0.0123194 1 236 63.546 1.91225 -3.28866 63.546000 Cu 0.773821 0.0429262 1 240 63.546 0.0499106 -3.3917 63.546000 Cu 0.894654 0.0544963 3.87417e-19 241 63.546 0.0507105 -3.40363 63.546000 Cu 0.860802 0.0324146 0.5 242 63.546 0.41368 -3.3667 63.546000 Cu 0.945285 0.0236198 1.04103e-16 244 63.546 0.519968 -3.32964 63.546000 Cu 0.979122 0.0461937 0.5 247 63.546 0.00701254 -3.40403 63.546000 Cu 0.012962 0.0685261 1 261 63.546 0.00965963 -3.40175 63.546000 Cu 0.133485 0.0818044 2.66722e-18 262 63.546 0.0114581 -3.40389 63.546000 Cu 0.0473913 0.090336 0.5 264 63.546 0.0084483 -3.40482 63.546000 Cu 0.220441 0.072865 0.5 268 63.546 0.0064527 -3.4057 63.546000 Cu 0.0822385 0.111879 1 285 63.546 0.00411484 -3.40553 63.546000 Cu 0.168837 0.103071 0.5 287 63.546 0.00131846 -3.40596 63.546000 Cu 0.203755 0.124437 1 286 63.546 0.00188288 -3.40739 63.546000 Cu 0.30807 0.0634558 1 266 63.546 0.0420374 -3.40852 63.546000 Cu 0.255599 0.0940196 4.29884e-18 289 63.546 0.00786922 -3.40787 63.546000 Cu 0.375955 0.107002 1 290 63.546 0.00224854 -3.40635 63.546000 Cu 0.342056 0.0850862 0.5 291 63.546 0.0176499 -3.40895 63.546000 Cu 0.290043 0.115593 0.5 292 63.546 0.00536552 -3.40746 63.546000 Cu 0.427858 0.0766644 1 293 63.546 0.00353772 -3.40541 63.546000 Cu 0.461599 0.0986627 0.5 296 63.546 0.00234405 -3.40505 63.546000 Cu 0.496077 0.120435 1 318 63.546 0.00311076 -3.4055 63.546000 Cu 0.720441 0.072865 1 239 63.546 0.0064527 -3.4057 63.546000 Cu 0.547391 0.090336 1 294 63.546 0.0084483 -3.40482 63.546000 Cu 0.512962 0.0685261 0.5 295 63.546 0.00965963 -3.40175 63.546000 Cu 0.633485 0.0818044 0.5 299 63.546 0.0114581 -3.40389 63.546000 Cu 0.582239 0.111879 0.5 320 63.546 0.00411484 -3.40553 63.546000 Cu 0.668837 0.103071 1 322 63.546 0.00131846 -3.40596 63.546000 Cu 0.703755 0.124437 0.5 256 63.546 0.00188288 -3.40739 63.546000 Cu 0.755599 0.0940196 0.5 255 63.546 0.00786922 -3.40787 63.546000 Cu 0.80807 0.0634558 0.5 243 63.546 0.0420374 -3.40852 63.546000 Cu 0.790043 0.115593 1 254 63.546 0.00536552 -3.40746 63.546000 Cu 0.842056 0.0850862 1 257 63.546 0.0176499 -3.40895 63.546000 Cu 0.961599 0.0986627 1 258 63.546 0.00234405 -3.40505 63.546000 Cu 0.927858 0.0766644 0.5 259 63.546 0.00353772 -3.40541 63.546000 Cu 0.875955 0.107002 0.5 260 63.546 0.00224854 -3.40635 63.546000 Cu 0.996077 0.120435 0.5 283 63.546 0.00311076 -3.4055 63.546000 Cu 0.0308353 0.142021 1 282 63.546 0.00142697 -3.40596 63.546000 Cu 0.117189 0.1333 0.5 288 63.546 0.000489156 -3.40656 63.546000 Cu 0.10056 0.185098 1 307 63.546 8.5663e-05 -3.40687 63.546000 Cu 0.0657166 0.163553 0.5 308 63.546 0.000184007 -3.4067 63.546000 Cu 0.15205 0.154787 1 310 63.546 0.000329287 -3.40716 63.546000 Cu 0.238366 0.146018 0.5 312 63.546 0.00152388 -3.40729 63.546000 Cu 0.186801 0.176368 0.5 313 63.546 0.000546156 -3.40693 63.546000 Cu 0.272904 0.1677 1 311 63.546 0.000511141 -3.40672 63.546000 Cu 0.324365 0.137362 1 314 63.546 0.00101983 -3.40657 63.546000 Cu 0.444761 0.150607 1 315 63.546 0.000885312 -3.40593 63.546000 Cu 0.410187 0.128868 0.5 316 63.546 0.000544091 -3.40582 63.546000 Cu 0.358836 0.159127 0.5 317 63.546 9.95332e-05 -3.40615 63.546000 Cu 0.393468 0.180846 1 339 63.546 0.000223317 -3.40617 63.546000 Cu 0.479478 0.172253 0.5 341 63.546 0.00078991 -3.4063 63.546000 Cu 0.738366 0.146018 1 277 63.546 0.00152388 -3.40729 63.546000 Cu 0.617189 0.1333 1 319 63.546 0.000489156 -3.40656 63.546000 Cu 0.530835 0.142021 0.5 321 63.546 0.00142697 -3.40596 63.546000 Cu 0.565717 0.163553 1 343 63.546 0.000184007 -3.4067 63.546000 Cu 0.686801 0.176368 1 344 63.546 0.000546156 -3.40693 63.546000 Cu 0.65205 0.154787 0.5 345 63.546 0.000329287 -3.40716 63.546000 Cu 0.60056 0.185098 0.5 346 63.546 8.5663e-05 -3.40687 63.546000 Cu 0.858836 0.159127 7.53005e-17 278 63.546 9.95332e-05 -3.40615 63.546000 Cu 0.824365 0.137362 0.5 279 63.546 0.00101983 -3.40657 63.546000 Cu 0.772904 0.1677 0.5 280 63.546 0.000511141 -3.40672 63.546000 Cu 0.910187 0.128868 1 281 63.546 0.000544091 -3.40582 63.546000 Cu 0.944761 0.150607 0.5 284 63.546 0.000885312 -3.40593 63.546000 Cu 0.893468 0.180846 0.5 304 63.546 0.000223317 -3.40617 63.546000 Cu 0.979478 0.172253 1 306 63.546 0.00078991 -3.4063 63.546000 Cu 0.0142961 0.193839 0.5 309 63.546 0.000231698 -3.40666 63.546000 Cu 0.0491582 0.215409 1 331 63.546 9.05548e-06 -3.40679 63.546000 Cu 0.170116 0.228328 1 332 63.546 0.000227296 -3.40672 63.546000 Cu 0.135355 0.206688 0.5 333 63.546 0.000286515 -3.40683 63.546000 Cu 0.0839779 0.236991 0.5 334 63.546 0.000244088 -3.40667 63.546000 Cu 0.221457 0.198025 1 335 63.546 0.000251265 -3.40662 63.546000 Cu 0.342088 0.211115 1 336 63.546 8.60589e-05 -3.40643 63.546000 Cu 0.307458 0.189415 0.5 337 63.546 4.40814e-05 -3.40644 63.546000 Cu 0.256172 0.219708 0.5 338 63.546 7.1274e-05 -3.40649 63.546000 Cu 0.428143 0.202508 0.5 342 63.546 0.000360448 -3.40657 63.546000 Cu 0.290809 0.241401 1 360 63.546 5.25477e-05 -3.40646 63.546000 Cu 0.376835 0.232795 0.5 362 63.546 0.000314963 -3.40648 63.546000 Cu 0.462955 0.224137 1 364 63.546 0.000298116 -3.40671 63.546000 Cu 0.497784 0.245706 0.5 367 63.546 3.17118e-05 -3.40669 63.546000 Cu 0.721457 0.198025 0.5 301 63.546 0.000251265 -3.40662 63.546000 Cu 0.514296 0.193839 1 340 63.546 0.000231698 -3.40666 63.546000 Cu 0.583978 0.236991 1 365 63.546 0.000244088 -3.40667 63.546000 Cu 0.549158 0.215409 0.5 366 63.546 9.05548e-06 -3.40679 63.546000 Cu 0.635355 0.206688 1 368 63.546 0.000286515 -3.40683 63.546000 Cu 0.670116 0.228328 0.5 369 63.546 0.000227296 -3.40672 63.546000 Cu 0.756172 0.219708 1 300 63.546 7.1274e-05 -3.40649 63.546000 Cu 0.807458 0.189415 5.28973e-19 302 63.546 4.40814e-05 -3.40644 63.546000 Cu 0.928143 0.202508 1 303 63.546 0.000360448 -3.40657 63.546000 Cu 0.842088 0.211115 0.5 305 63.546 8.60589e-05 -3.40643 63.546000 Cu 0.790809 0.241401 0.5 325 63.546 5.25477e-05 -3.40646 63.546000 Cu 0.876835 0.232795 2.37442e-17 327 63.546 0.000314963 -3.40648 63.546000 Cu 0.997784 0.245706 1.33786e-16 328 63.546 3.17118e-05 -3.40669 63.546000 Cu 0.962955 0.224137 0.5 329 63.546 0.000298116 -3.40671 63.546000 Cu 0.0671793 0.288881 1.48187e-17 353 63.546 0.000428613 -3.40636 63.546000 Cu 0.0324853 0.267295 0.5 354 63.546 8.94724e-05 -3.40671 63.546000 Cu 0.118673 0.258614 3.97252e-17 356 63.546 0.000284555 -3.40653 63.546000 Cu 0.239304 0.271686 8.86589e-19 357 63.546 3.41544e-05 -3.4065 63.546000 Cu 0.20476 0.25 0.5 358 63.546 4.88501e-05 -3.40652 63.546000 Cu 0.153271 0.280275 0.5 359 63.546 0.000107045 -3.4063 63.546000 Cu 0.101841 0.31052 0.5 379 63.546 0.000384999 -3.40605 63.546000 Cu 0.187823 0.301957 1.48187e-17 381 63.546 4.05875e-05 -3.40618 63.546000 Cu 0.411551 0.254415 1 361 63.546 0.000183232 -3.40657 63.546000 Cu 0.32539 0.26307 0.5 363 63.546 0.000170744 -3.40653 63.546000 Cu 0.273873 0.293364 0.5 383 63.546 0.000236241 -3.40655 63.546000 Cu 0.36002 0.284703 1 385 63.546 0.000192047 -3.40671 63.546000 Cu 0.480958 0.29757 1 386 63.546 7.98713e-05 -3.40662 63.546000 Cu 0.446236 0.276007 0.5 387 63.546 4.23659e-05 -3.40671 63.546000 Cu 0.394677 0.306303 0.5 388 63.546 0.000199017 -3.4069 63.546000 Cu 0.70476 0.25 1.28369e-17 323 63.546 4.88501e-05 -3.40652 63.546000 Cu 0.739304 0.271686 0.5 326 63.546 3.41544e-05 -3.4065 63.546000 Cu 0.532485 0.267295 1 389 63.546 8.94724e-05 -3.40671 63.546000 Cu 0.653271 0.280275 1 390 63.546 0.000107045 -3.4063 63.546000 Cu 0.618673 0.258614 0.5 391 63.546 0.000284555 -3.40653 63.546000 Cu 0.567179 0.288881 0.5 392 63.546 0.000428613 -3.40636 63.546000 Cu 0.601841 0.31052 1 413 63.546 0.000384999 -3.40605 63.546000 Cu 0.687823 0.301957 0.5 414 63.546 4.05875e-05 -3.40618 63.546000 Cu 0.82539 0.26307 1.1846e-18 324 63.546 0.000170744 -3.40653 63.546000 Cu 0.911551 0.254415 0.5 330 63.546 0.000183232 -3.40657 63.546000 Cu 0.773873 0.293364 1 348 63.546 0.000236241 -3.40655 63.546000 Cu 0.894677 0.306303 1 349 63.546 0.000199017 -3.4069 63.546000 Cu 0.86002 0.284703 0.5 350 63.546 0.000192047 -3.40671 63.546000 Cu 0.946236 0.276007 9.79942e-17 352 63.546 4.23659e-05 -3.40671 63.546000 Cu 0.980958 0.29757 0.5 355 63.546 7.98713e-05 -3.40662 63.546000 Cu 0.0157853 0.319133 1 377 63.546 0.000660455 -3.40633 63.546000 Cu 0.136533 0.332221 1.62134e-16 378 63.546 0.000163325 -3.40614 63.546000 Cu 0.0506614 0.340744 0.5 380 63.546 0.00130484 -3.40603 63.546000 Cu 0.2224 0.323664 0.5 384 63.546 0.000436432 -3.4067 63.546000 Cu 0.0855053 0.362482 1 401 63.546 0.000678383 -3.40571 63.546000 Cu 0.171206 0.354007 0.5 403 63.546 0.000913842 -3.40659 63.546000 Cu 0.308425 0.315011 1 382 63.546 0.000599401 -3.40698 63.546000 Cu 0.25713 0.345377 1.06167e-17 405 63.546 0.00169003 -3.40735 63.546000 Cu 0.378352 0.358109 8.8048e-17 406 63.546 0.000339818 -3.4065 63.546000 Cu 0.34326 0.336622 0.5 407 63.546 0.000645785 -3.40714 63.546000 Cu 0.291963 0.366968 0.5 408 63.546 0.00205627 -3.40744 63.546000 Cu 0.429537 0.327846 1 409 63.546 0.000135176 -3.40673 63.546000 Cu 0.464598 0.349363 0.5 412 63.546 0.00128542 -3.40616 63.546000 Cu 0.499738 0.37095 1.48187e-17 434 63.546 0.00308226 -3.40557 63.546000 Cu 0.7224 0.323664 1 347 63.546 0.000436432 -3.4067 63.546000 Cu 0.550661 0.340744 1.48187e-17 410 63.546 0.00130484 -3.40603 63.546000 Cu 0.515785 0.319133 0.5 411 63.546 0.000660455 -3.40633 63.546000 Cu 0.636533 0.332221 0.5 415 63.546 0.000163325 -3.40614 63.546000 Cu 0.585505 0.362482 0.5 436 63.546 0.000678383 -3.40571 63.546000 Cu 0.671206 0.354007 1.35939e-16 438 63.546 0.000913842 -3.40659 63.546000 Cu 0.75713 0.345377 0.5 371 63.546 0.00169003 -3.40735 63.546000 Cu 0.808425 0.315011 0.5 351 63.546 0.000599401 -3.40698 63.546000 Cu 0.791963 0.366968 1 370 63.546 0.00205627 -3.40744 63.546000 Cu 0.84326 0.336622 1 373 63.546 0.000645785 -3.40714 63.546000 Cu 0.964598 0.349363 3.42715e-19 374 63.546 0.00128542 -3.40616 63.546000 Cu 0.929537 0.327846 0.5 375 63.546 0.000135176 -3.40673 63.546000 Cu 0.878352 0.358109 0.5 376 63.546 0.000339818 -3.4065 63.546000 Cu 0.999738 0.37095 0.5 399 63.546 0.00308226 -3.40557 63.546000 Cu 0.0346725 0.392708 5.29719e-18 398 63.546 0.00275383 -3.40507 63.546000 Cu 0.205797 0.37579 4.16026e-17 402 63.546 0.00539651 -3.40752 63.546000 Cu 0.120111 0.38436 0.5 404 63.546 0.0015637 -3.40612 63.546000 Cu 0.102621 0.436894 1.48187e-17 423 63.546 0.0439125 -3.40351 63.546000 Cu 0.0690128 0.414723 0.5 424 63.546 0.00274882 -3.40571 63.546000 Cu 0.154591 0.406314 1.48187e-17 426 63.546 0.0162921 -3.40878 63.546000 Cu 0.240714 0.397406 0.5 428 63.546 0.00852836 -3.40829 63.546000 Cu 0.189013 0.428003 0.5 429 63.546 0.0441112 -3.40968 63.546000 Cu 0.27632 0.418603 1.48187e-17 427 63.546 0.006163 -3.40619 63.546000 Cu 0.327217 0.388351 1.48187e-17 430 63.546 0.00136686 -3.40622 63.546000 Cu 0.449011 0.401064 1 431 63.546 0.00856837 -3.40487 63.546000 Cu 0.413683 0.37954 0.5 432 63.546 0.00331022 -3.40552 63.546000 Cu 0.363043 0.40962 0.5 433 63.546 0.0110543 -3.40373 63.546000 Cu 0.398807 0.431126 1 452 63.546 0.0223574 -3.40697 63.546000 Cu 0.483998 0.422884 0.5 454 63.546 0.00975535 -3.40174 63.546000 Cu 0.705797 0.37579 0.5 372 63.546 0.00539651 -3.40752 63.546000 Cu 0.740714 0.397406 3.18651e-17 393 63.546 0.00852836 -3.40829 63.546000 Cu 0.620111 0.38436 1 435 63.546 0.0015637 -3.40612 63.546000 Cu 0.534672 0.392708 0.5 437 63.546 0.00275383 -3.40507 63.546000 Cu 0.569013 0.414723 1 456 63.546 0.00274882 -3.40571 63.546000 Cu 0.689013 0.428003 1 457 63.546 0.0441112 -3.40968 63.546000 Cu 0.654591 0.406314 0.5 458 63.546 0.0162921 -3.40878 63.546000 Cu 0.602621 0.436894 0.5 459 63.546 0.0439125 -3.40351 63.546000 Cu 0.863043 0.40962 1 394 63.546 0.0110543 -3.40373 63.546000 Cu 0.827217 0.388351 0.5 395 63.546 0.00136686 -3.40622 63.546000 Cu 0.77632 0.418603 0.5 396 63.546 0.006163 -3.40619 63.546000 Cu 0.913683 0.37954 1 397 63.546 0.00331022 -3.40552 63.546000 Cu 0.949011 0.401064 0.5 400 63.546 0.00856837 -3.40487 63.546000 Cu 0.898807 0.431126 0.5 420 63.546 0.0223574 -3.40697 63.546000 Cu 0.983998 0.422884 3.60074e-17 422 63.546 0.00975535 -3.40174 63.546000 Cu 0.0182853 0.445216 0.5 425 63.546 0.0063252 -3.40428 63.546000 Cu 0.0526371 0.467722 1.48187e-17 444 63.546 0.523087 -3.32326 63.546000 Cu 0.17118 0.479329 3.37038e-16 445 63.546 2.15003 -3.29504 63.546000 Cu 0.136793 0.459075 0.5 446 63.546 0.429904 -3.36731 63.546000 Cu 0.0890052 0.495837 0.5 447 63.546 10.2564 -3.37211 63.546000 Cu 0.223519 0.448601 8.73924e-18 448 63.546 0.0495951 -3.39211 63.546000 Cu 0.217466 0.495852 0.5 460 63.546 10.676 -2.98088 63.546000 Cu 0.496501 0.495771 0.5 6 63.546 10.2306 -3.15671 63.546000 Cu 0.466554 0.475681 1 224 63.546 2.08448 -3.30606 63.546000 Cu 0.377246 0.481033 0.5 226 63.546 9.25666 -3.16067 63.546000 Cu 0.303642 0.496089 1.48187e-17 232 63.546 8.21602 -3.37579 63.546000 Cu 0.346528 0.460964 2.28859e-16 449 63.546 0.278811 -3.36442 63.546000 Cu 0.312828 0.439545 0.5 450 63.546 0.0513659 -3.39916 63.546000 Cu 0.260932 0.468521 0.5 451 63.546 1.00761 -3.27293 63.546000 Cu 0.434369 0.452916 0.5 455 63.546 0.0942971 -3.39191 63.546000 Cu 0.67118 0.479329 0.5 2 63.546 2.15003 -3.29504 63.546000 Cu 0.636793 0.459075 1 4 63.546 0.429904 -3.36731 63.546000 Cu 0.552637 0.467722 0.5 19 63.546 0.523087 -3.32326 63.546000 Cu 0.589005 0.495837 4.45306e-17 222 63.546 10.2564 -3.37211 63.546000 Cu 0.723519 0.448601 0.5 417 63.546 0.0495951 -3.39211 63.546000 Cu 0.518285 0.445216 7.01672e-17 453 63.546 0.0063252 -3.40428 63.546000 Cu 0.717466 0.495852 1 439 63.546 10.676 -2.98088 63.546000 Cu 0.760932 0.468521 4.14313e-17 416 63.546 1.00761 -3.27293 63.546000 Cu 0.812828 0.439545 1.48187e-17 418 63.546 0.0513659 -3.39916 63.546000 Cu 0.934369 0.452916 6.20017e-17 419 63.546 0.0942971 -3.39191 63.546000 Cu 0.846528 0.460964 0.5 421 63.546 0.278811 -3.36442 63.546000 Cu 0.803642 0.496089 0.5 440 63.546 8.21602 -3.37579 63.546000 Cu 0.877246 0.481033 1.95631e-16 441 63.546 9.25666 -3.16067 63.546000 Cu 0.996501 0.495771 1 442 63.546 10.2306 -3.15671 63.546000 Cu 0.966554 0.475681 0.5 443 63.546 2.08448 -3.30606 63.546000 Cu 0.173797 0.512579 6.48849e-17 1 63.546 1.9056 -3.28638 63.546000 Cu 0.0549223 0.523811 2.78359e-16 12 63.546 0.528462 -3.32938 63.546000 Cu 0.105534 0.554704 3.03087e-16 13 63.546 0.053349 -3.40386 63.546000 Cu 0.139396 0.532619 0.5 14 63.546 0.423424 -3.36603 63.546000 Cu 0.0210918 0.54641 0.5 15 63.546 0.00723182 -3.4038 63.546000 Cu 0.226451 0.543154 3.6976e-16 16 63.546 0.0498916 -3.39141 63.546000 Cu 0.263394 0.523117 0.5 3 63.546 0.838898 -3.28868 63.546000 Cu 0.348977 0.530729 5.2793e-17 20 63.546 0.23399 -3.36757 63.546000 Cu 0.379406 0.510672 0.5 21 63.546 9.19911 -3.15848 63.546000 Cu 0.468914 0.516042 1 22 63.546 1.91468 -3.30686 63.546000 Cu 0.436998 0.538755 0.5 25 63.546 0.093004 -3.39308 63.546000 Cu 0.315803 0.552147 0.5 42 63.546 0.0500244 -3.40077 63.546000 Cu 0.401971 0.560555 1.48187e-17 43 63.546 0.02359 -3.40732 63.546000 Cu 0.673797 0.512579 0.5 7 63.546 1.9056 -3.28638 63.546000 Cu 0.521092 0.54641 1.50892e-16 23 63.546 0.00723182 -3.4038 63.546000 Cu 0.554922 0.523811 0.5 24 63.546 0.528462 -3.32938 63.546000 Cu 0.639396 0.532619 1.0718e-16 26 63.546 0.423424 -3.36603 63.546000 Cu 0.726451 0.543154 0.5 28 63.546 0.0498916 -3.39141 63.546000 Cu 0.605534 0.554704 0.5 29 63.546 0.053349 -3.40386 63.546000 Cu 0.763394 0.523117 1 5 63.546 0.838898 -3.28868 63.546000 Cu 0.879406 0.510672 1.48187e-17 8 63.546 9.19911 -3.15848 63.546000 Cu 0.936998 0.538755 1.50802e-16 9 63.546 0.093004 -3.39308 63.546000 Cu 0.968914 0.516042 0.5 10 63.546 1.91468 -3.30686 63.546000 Cu 0.848977 0.530729 0.5 11 63.546 0.23399 -3.36757 63.546000 Cu 0.815803 0.552147 5.00066e-17 30 63.546 0.0500244 -3.40077 63.546000 Cu 0.901971 0.560555 0.5 32 63.546 0.02359 -3.40732 63.546000 Cu 0.192206 0.56366 0.5 18 63.546 0.0437057 -3.40845 63.546000 Cu 0.038647 0.598878 1 35 63.546 0.00241042 -3.40486 63.546000 Cu 0.0724218 0.576881 0.5 36 63.546 0.00370104 -3.40546 63.546000 Cu 0.158212 0.585284 1.2194e-16 38 63.546 0.0187431 -3.40896 63.546000 Cu 0.210072 0.615781 5.44247e-17 39 63.546 0.00595519 -3.40773 63.546000 Cu 0.124216 0.607203 0.5 41 63.546 0.00247789 -3.40632 63.546000 Cu 0.00407524 0.620657 0.5 57 63.546 0.00359589 -3.40544 63.546000 Cu 0.244643 0.594217 0.5 40 63.546 0.00845435 -3.40791 63.546000 Cu 0.279827 0.573086 1.42562e-16 17 63.546 0.0063905 -3.40547 63.546000 Cu 0.452889 0.590579 2.75491e-16 44 63.546 0.0094686 -3.40464 63.546000 Cu 0.487298 0.568762 0.5 45 63.546 0.0101016 -3.40163 63.546000 Cu 0.36679 0.582044 0.5 46 63.546 0.0122976 -3.40378 63.546000 Cu 0.331427 0.603285 1.15324e-16 65 63.546 0.00124913 -3.40597 63.546000 Cu 0.418006 0.612107 0.5 67 63.546 0.00492481 -3.40552 63.546000 Cu 0.296325 0.624624 0.5 68 63.546 0.00206335 -3.40764 63.546000 Cu 0.692206 0.56366 4.14305e-16 27 63.546 0.0437057 -3.40845 63.546000 Cu 0.572422 0.576881 3.21363e-16 47 63.546 0.00370104 -3.40546 63.546000 Cu 0.624216 0.607203 1.28168e-16 48 63.546 0.00247789 -3.40632 63.546000 Cu 0.658212 0.585284 0.5 49 63.546 0.0187431 -3.40896 63.546000 Cu 0.538647 0.598878 0.5 50 63.546 0.00241042 -3.40486 63.546000 Cu 0.710072 0.615781 0.5 54 63.546 0.00595519 -3.40773 63.546000 Cu 0.504075 0.620657 2.49601e-16 69 63.546 0.00359589 -3.40544 63.546000 Cu 0.744643 0.594217 1.3839e-16 51 63.546 0.00845435 -3.40791 63.546000 Cu 0.86679 0.582044 1 31 63.546 0.0122976 -3.40378 63.546000 Cu 0.779827 0.573086 0.5 33 63.546 0.0063905 -3.40547 63.546000 Cu 0.987298 0.568762 2.44073e-17 34 63.546 0.0101016 -3.40163 63.546000 Cu 0.952889 0.590579 0.5 37 63.546 0.0094686 -3.40464 63.546000 Cu 0.796325 0.624624 1 52 63.546 0.00206335 -3.40764 63.546000 Cu 0.831427 0.603285 0.5 53 63.546 0.00124913 -3.40597 63.546000 Cu 0.918006 0.612107 1.48187e-17 55 63.546 0.00492481 -3.40552 63.546000 Cu 0.0898255 0.629073 1.49208e-16 59 63.546 0.000494298 -3.40569 63.546000 Cu 0.140887 0.659305 2.61246e-16 60 63.546 0.000100749 -3.40607 63.546000 Cu 0.175508 0.637544 0.5 61 63.546 0.00129646 -3.40665 63.546000 Cu 0.055084 0.650822 0.5 62 63.546 0.00120501 -3.40586 63.546000 Cu 0.226721 0.667847 0.5 64 63.546 0.000864077 -3.40678 63.546000 Cu 0.0201821 0.672451 1.75977e-17 81 63.546 0.00112172 -3.4062 63.546000 Cu 0.106125 0.681019 0.5 83 63.546 0.000378524 -3.40605 63.546000 Cu 0.261478 0.646187 1.37213e-16 63 63.546 0.00186285 -3.40748 63.546000 Cu 0.382817 0.633511 1.59221e-16 66 63.546 0.000563581 -3.40674 63.546000 Cu 0.469109 0.642248 0.5 72 63.546 0.00194796 -3.40612 63.546000 Cu 0.312788 0.67652 2.51844e-16 89 63.546 0.000662974 -3.40708 63.546000 Cu 0.347713 0.65497 0.5 90 63.546 0.000365163 -3.40731 63.546000 Cu 0.43402 0.663759 2.28375e-16 91 63.546 0.000340047 -3.40671 63.546000 Cu 0.398988 0.685259 0.5 94 63.546 6.81873e-05 -3.40692 63.546000 Cu 0.555084 0.650822 1.48187e-17 70 63.546 0.00120501 -3.40586 63.546000 Cu 0.589825 0.629073 0.5 71 63.546 0.000494298 -3.40569 63.546000 Cu 0.675508 0.637544 1 73 63.546 0.00129646 -3.40665 63.546000 Cu 0.726721 0.667847 1 74 63.546 0.000864077 -3.40678 63.546000 Cu 0.640887 0.659305 0.5 76 63.546 0.000100749 -3.40607 63.546000 Cu 0.520182 0.672451 0.5 93 63.546 0.00112172 -3.4062 63.546000 Cu 0.606125 0.681019 1 95 63.546 0.000378524 -3.40605 63.546000 Cu 0.969109 0.642248 2.38828e-16 56 63.546 0.00194796 -3.40612 63.546000 Cu 0.882817 0.633511 0.5 58 63.546 0.000563581 -3.40674 63.546000 Cu 0.761478 0.646187 0.5 75 63.546 0.00186285 -3.40748 63.546000 Cu 0.847713 0.65497 3.7207e-17 77 63.546 0.000365163 -3.40731 63.546000 Cu 0.898988 0.685259 9.79942e-17 78 63.546 6.81873e-05 -3.40692 63.546000 Cu 0.93402 0.663759 0.5 79 63.546 0.000340047 -3.40671 63.546000 Cu 0.812788 0.67652 0.5 80 63.546 0.000662974 -3.40708 63.546000 Cu 0.0713475 0.702652 7.96291e-17 82 63.546 0.000527021 -3.40637 63.546000 Cu 0.192023 0.689548 1.59303e-16 85 63.546 8.42273e-05 -3.40634 63.546000 Cu 0.157307 0.711228 0.5 88 63.546 8.42552e-05 -3.40627 63.546000 Cu 0.00172038 0.745792 7.8899e-18 104 63.546 8.7846e-05 -3.4068 63.546000 Cu 0.0364565 0.724242 0.5 105 63.546 0.000382701 -3.40675 63.546000 Cu 0.122615 0.732875 3.1053e-17 107 63.546 0.000309625 -3.40639 63.546000 Cu 0.208626 0.741445 0.5 109 63.546 1.33053e-05 -3.40621 63.546000 Cu 0.243243 0.719786 1 86 63.546 0.000124081 -3.40644 63.546000 Cu 0.277941 0.698132 0.5 87 63.546 0.000538981 -3.40672 63.546000 Cu 0.485218 0.693995 1.37287e-16 92 63.546 0.000290278 -3.4066 63.546000 Cu 0.364067 0.7068 1 112 63.546 0.000342981 -3.40692 63.546000 Cu 0.41543 0.737064 1 113 63.546 0.000208221 -3.4068 63.546000 Cu 0.450301 0.715524 0.5 114 63.546 1.41553e-05 -3.40686 63.546000 Cu 0.329304 0.728386 0.5 115 63.546 0.000381152 -3.40668 63.546000 Cu 0.657307 0.711228 1 96 63.546 8.42552e-05 -3.40627 63.546000 Cu 0.692023 0.689548 0.5 97 63.546 8.42273e-05 -3.40634 63.546000 Cu 0.571348 0.702652 0.5 98 63.546 0.000527021 -3.40637 63.546000 Cu 0.536457 0.724242 4.45902e-17 116 63.546 0.000382701 -3.40675 63.546000 Cu 0.622615 0.732875 0.5 118 63.546 0.000309625 -3.40639 63.546000 Cu 0.50172 0.745792 0.5 119 63.546 8.7846e-05 -3.4068 63.546000 Cu 0.708626 0.741445 8.27732e-17 120 63.546 1.33053e-05 -3.40621 63.546000 Cu 0.743243 0.719786 0.5 102 63.546 0.000124081 -3.40644 63.546000 Cu 0.985218 0.693995 0.5 84 63.546 0.000290278 -3.4066 63.546000 Cu 0.777941 0.698132 7.15232e-17 99 63.546 0.000538981 -3.40672 63.546000 Cu 0.829304 0.728386 1.63907e-19 100 63.546 0.000381152 -3.40668 63.546000 Cu 0.864067 0.7068 0.5 101 63.546 0.000342981 -3.40692 63.546000 Cu 0.950301 0.715524 1 103 63.546 1.41553e-05 -3.40686 63.546000 Cu 0.91543 0.737064 0.5 106 63.546 0.000208221 -3.4068 63.546000 Cu 0.173959 0.76309 5.44098e-17 108 63.546 0.000131043 -3.40643 63.546000 Cu 0.0879233 0.754473 0.5 110 63.546 0.000341697 -3.40657 63.546000 Cu 0.0531003 0.776047 1 128 63.546 0.000248947 -3.40685 63.546000 Cu 0.104435 0.8063 1.48187e-17 129 63.546 0.000401111 -3.40694 63.546000 Cu 0.13924 0.784721 0.5 130 63.546 0.000416593 -3.40679 63.546000 Cu 0.0181892 0.797565 0.5 131 63.546 2.50784e-05 -3.40678 63.546000 Cu 0.22522 0.79333 3.86695e-16 132 63.546 0.000134541 -3.4066 63.546000 Cu 0.294588 0.750018 1 135 63.546 0.000157377 -3.40643 63.546000 Cu 0.259977 0.771668 0.5 111 63.546 3.67198e-05 -3.40647 63.546000 Cu 0.345966 0.780233 7.63808e-17 136 63.546 0.000330486 -3.40639 63.546000 Cu 0.380724 0.75863 0.5 137 63.546 0.000380604 -3.40654 63.546000 Cu 0.466913 0.767318 1 138 63.546 8.67913e-05 -3.4067 63.546000 Cu 0.431959 0.788856 0.5 141 63.546 0.000558257 -3.40655 63.546000 Cu 0.311136 0.801898 0.5 158 63.546 9.70973e-05 -3.40636 63.546000 Cu 0.397127 0.810455 1 159 63.546 0.000568524 -3.4063 63.546000 Cu 0.587923 0.754473 4.39272e-17 117 63.546 0.000341697 -3.40657 63.546000 Cu 0.673959 0.76309 0.5 123 63.546 0.000131043 -3.40643 63.546000 Cu 0.518189 0.797565 1.80224e-17 139 63.546 2.50784e-05 -3.40678 63.546000 Cu 0.5531 0.776047 0.5 140 63.546 0.000248947 -3.40685 63.546000 Cu 0.63924 0.784721 1.11524e-16 142 63.546 0.000416593 -3.40679 63.546000 Cu 0.72522 0.79333 0.5 144 63.546 0.000134541 -3.4066 63.546000 Cu 0.604435 0.8063 0.5 145 63.546 0.000401111 -3.40694 63.546000 Cu 0.794588 0.750018 0.5 122 63.546 0.000157377 -3.40643 63.546000 Cu 0.759977 0.771668 1.24495e-16 121 63.546 3.67198e-05 -3.40647 63.546000 Cu 0.880724 0.75863 6.10927e-19 124 63.546 0.000380604 -3.40654 63.546000 Cu 0.931959 0.788856 1 125 63.546 0.000558257 -3.40655 63.546000 Cu 0.966913 0.767318 0.5 126 63.546 8.67913e-05 -3.4067 63.546000 Cu 0.845966 0.780233 0.5 127 63.546 0.000330486 -3.40639 63.546000 Cu 0.811136 0.801898 1.53477e-17 146 63.546 9.70973e-05 -3.40636 63.546000 Cu 0.897127 0.810455 0.5 148 63.546 0.000568524 -3.4063 63.546000 Cu 0.190553 0.814999 0.5 134 63.546 0.000859312 -3.40689 63.546000 Cu 0.0344871 0.849276 1 151 63.546 0.00136541 -3.40618 63.546000 Cu 0.0695052 0.82781 0.5 152 63.546 7.63245e-05 -3.4067 63.546000 Cu 0.155844 0.836588 1 154 63.546 0.00116414 -3.40706 63.546000 Cu 0.207363 0.866888 1 155 63.546 0.00279562 -3.40741 63.546000 Cu 0.120845 0.858033 0.5 157 63.546 0.000225904 -3.40657 63.546000 Cu 0.242006 0.845306 0.5 156 63.546 0.00209213 -3.40724 63.546000 Cu 0.276512 0.823588 1 133 63.546 0.000188688 -3.4066 63.546000 Cu 0.448336 0.840658 1 160 63.546 0.00137303 -3.40602 63.546000 Cu 0.483227 0.819079 0.5 161 63.546 0.000704056 -3.40647 63.546000 Cu 0.362429 0.832117 0.5 162 63.546 0.000340752 -3.40621 63.546000 Cu 0.327918 0.853878 1 181 63.546 0.000468333 -3.40655 63.546000 Cu 0.413688 0.862343 0.5 183 63.546 0.00100816 -3.40565 63.546000 Cu 0.499514 0.870823 1 185 63.546 0.00342706 -3.40557 63.546000 Cu 0.690553 0.814999 7.37508e-17 143 63.546 0.000859312 -3.40689 63.546000 Cu 0.569505 0.82781 9.84636e-17 163 63.546 7.63245e-05 -3.4067 63.546000 Cu 0.620845 0.858033 1 164 63.546 0.000225904 -3.40657 63.546000 Cu 0.655844 0.836588 0.5 165 63.546 0.00116414 -3.40706 63.546000 Cu 0.534487 0.849276 0.5 166 63.546 0.00136541 -3.40618 63.546000 Cu 0.707363 0.866888 0.5 170 63.546 0.00279562 -3.40741 63.546000 Cu 0.742006 0.845306 1 167 63.546 0.00209213 -3.40724 63.546000 Cu 0.999514 0.870823 0.5 173 63.546 0.00342706 -3.40557 63.546000 Cu 0.862429 0.832117 1 147 63.546 0.000340752 -3.40621 63.546000 Cu 0.776512 0.823588 0.5 149 63.546 0.000188688 -3.4066 63.546000 Cu 0.983227 0.819079 1 150 63.546 0.000704056 -3.40647 63.546000 Cu 0.948336 0.840658 0.5 153 63.546 0.00137303 -3.40602 63.546000 Cu 0.827918 0.853878 0.5 169 63.546 0.000468333 -3.40655 63.546000 Cu 0.913688 0.862343 1 171 63.546 0.00100816 -3.40565 63.546000 Cu 0.0857459 0.879425 1 175 63.546 0.00311968 -3.40553 63.546000 Cu 0.136778 0.90947 1 176 63.546 0.0105881 -3.40356 63.546000 Cu 0.172322 0.888236 0.5 177 63.546 0.00110526 -3.40597 63.546000 Cu 0.0506875 0.900909 0.5 178 63.546 0.00866335 -3.40493 63.546000 Cu 0.223538 0.918435 0.5 180 63.546 0.00582768 -3.40593 63.546000 Cu 0.0158678 0.922691 4.69371e-19 197 63.546 0.0106209 -3.40194 63.546000 Cu 0.101081 0.930952 0.5 199 63.546 0.0213955 -3.40709 63.546000 Cu 0.2936 0.87566 0.5 184 63.546 0.00527784 -3.40751 63.546000 Cu 0.259053 0.897269 1 179 63.546 0.0100538 -3.40816 63.546000 Cu 0.37939 0.884193 1 182 63.546 0.00117103 -3.4061 63.546000 Cu 0.464894 0.892542 0.5 188 63.546 0.00319573 -3.40512 63.546000 Cu 0.310891 0.927834 1 205 63.546 0.0462492 -3.40984 63.546000 Cu 0.345181 0.906148 0.5 206 63.546 0.016352 -3.40879 63.546000 Cu 0.430835 0.914531 1 207 63.546 0.00243006 -3.40582 63.546000 Cu 0.397258 0.936703 0.5 210 63.546 0.0442853 -3.40379 63.546000 Cu 0.550688 0.900909 1 186 63.546 0.00866335 -3.40493 63.546000 Cu 0.585746 0.879425 0.5 187 63.546 0.00311968 -3.40553 63.546000 Cu 0.672322 0.888236 1 189 63.546 0.00110526 -3.40597 63.546000 Cu 0.723538 0.918435 1 190 63.546 0.00582768 -3.40593 63.546000 Cu 0.636778 0.90947 0.5 192 63.546 0.0105881 -3.40356 63.546000 Cu 0.515868 0.922691 0.5 209 63.546 0.0106209 -3.40194 63.546000 Cu 0.601081 0.930952 1 211 63.546 0.0213955 -3.40709 63.546000 Cu 0.7936 0.87566 1 168 63.546 0.00527784 -3.40751 63.546000 Cu 0.964894 0.892542 4.10513e-18 172 63.546 0.00319573 -3.40512 63.546000 Cu 0.87939 0.884193 0.5 174 63.546 0.00117103 -3.4061 63.546000 Cu 0.759053 0.897269 0.5 191 63.546 0.0100538 -3.40816 63.546000 Cu 0.845181 0.906148 5.80157e-17 193 63.546 0.016352 -3.40879 63.546000 Cu 0.897258 0.936703 1.22387e-16 194 63.546 0.0442853 -3.40379 63.546000 Cu 0.930835 0.914531 0.5 195 63.546 0.00243006 -3.40582 63.546000 Cu 0.810891 0.927834 0.5 196 63.546 0.0462492 -3.40984 63.546000 Cu 0.196393 0.995873 0.5 250 63.546 8.20347 -3.37729 63.546000 Cu 0.065508 0.952723 1 198 63.546 0.0946184 -3.3921 63.546000 Cu 0.187041 0.939361 1 201 63.546 0.0514044 -3.39898 63.546000 Cu 0.153367 0.960787 0.5 204 63.546 0.275374 -3.36436 63.546000 Cu 0.00348257 0.995583 1 220 63.546 10.2331 -3.15662 63.546000 Cu 0.0332439 0.975482 0.5 221 63.546 2.06578 -3.30607 63.546000 Cu 0.122616 0.980838 2.98013e-20 223 63.546 9.25511 -3.16012 63.546000 Cu 0.238887 0.968319 1 202 63.546 1.00421 -3.27239 63.546000 Cu 0.410993 0.995676 1 252 63.546 10.2117 -3.37289 63.546000 Cu 0.276287 0.948406 0.5 203 63.546 0.048504 -3.39205 63.546000 Cu 0.481597 0.945015 6.13386e-17 208 63.546 0.00599384 -3.40439 63.546000 Cu 0.363083 0.958883 1 225 63.546 0.436892 -3.36741 63.546000 Cu 0.447219 0.967536 0.5 227 63.546 0.527511 -3.32307 63.546000 Cu 0.328628 0.97909 0.5 228 63.546 2.13731 -3.29298 63.546000 Cu 0.282612 0.995602 1 234 63.546 10.6585 -2.97896 63.546000 Cu 0.696393 0.995873 3.66929e-17 235 63.546 8.20347 -3.37729 63.546000 Cu 0.653367 0.960787 1 212 63.546 0.275374 -3.36436 63.546000 Cu 0.687041 0.939361 0.5 213 63.546 0.0514044 -3.39898 63.546000 Cu 0.565508 0.952723 0.5 214 63.546 0.0946184 -3.3921 63.546000 Cu 0.533244 0.975482 7.65149e-17 229 63.546 2.06578 -3.30607 63.546000 Cu 0.622616 0.980838 0.5 230 63.546 9.25511 -3.16012 63.546000 Cu 0.503483 0.995583 0.5 231 63.546 10.2331 -3.15662 63.546000 Cu 0.738887 0.968319 0.5 218 63.546 1.00421 -3.27239 63.546000 Cu 0.910993 0.995676 0.5 238 63.546 10.2117 -3.37289 63.546000 Cu 0.981597 0.945015 0.5 200 63.546 0.00599384 -3.40439 63.546000 Cu 0.776287 0.948406 1 215 63.546 0.048504 -3.39205 63.546000 Cu 0.828628 0.97909 1 216 63.546 2.13731 -3.29298 63.546000 Cu 0.863083 0.958883 0.5 217 63.546 0.436892 -3.36741 63.546000 Cu 0.947219 0.967536 1 219 63.546 0.527511 -3.32307 63.546000 Cu 0.782612 0.995602 0.5 233 63.546 10.6585 -2.97896