Number of particles = 408 A = 1 Angstrom (basic length-scale) H0(1,1) = 14.8595 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 89.7081 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61217 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 0.15417 0.00667158 1.39751e-16 208 63.546 2.87585 -3.40257 63.546000 Cu 0.024159 0.0108165 0.5 209 63.546 0.80954 -3.41592 63.546000 Cu 0.273427 0.00287872 0.5 210 63.546 9.20305 -3.05879 63.546000 Cu 0.0610765 0.030499 6.08709e-17 215 63.546 0.051971 -3.512 63.546000 Cu 0.209933 0.0450018 1.56079e-18 216 63.546 0.0182328 -3.54545 63.546000 Cu 0.177526 0.0259183 0.5 217 63.546 0.125024 -3.50444 63.546000 Cu 0.0918785 0.0502388 0.5 218 63.546 0.00817092 -3.51041 63.546000 Cu 0.303216 0.0207579 1.51997e-16 219 63.546 0.557338 -3.40052 63.546000 Cu 0.445572 0.0356963 1.47675e-17 220 63.546 0.0802983 -3.45871 63.546000 Cu 0.416947 0.0148487 0.5 221 63.546 0.509449 -3.34701 63.546000 Cu 0.328045 0.0400808 0.5 222 63.546 0.0272765 -3.53975 63.546000 Cu 0.121514 0.0695661 1.32067e-18 233 63.546 0.00159223 -3.53366 63.546000 Cu 0.239192 0.0645802 0.5 235 63.546 0.00309227 -3.5375 63.546000 Cu 0.356242 0.0598235 9.18467e-17 237 63.546 0.00226376 -3.52879 63.546000 Cu 0.474159 0.0551096 0.5 239 63.546 0.005157 -3.51554 63.546000 Cu 0.773427 0.00287872 3.60183e-19 205 63.546 9.20305 -3.05879 63.546000 Cu 0.916947 0.0148487 8.0801e-17 206 63.546 0.509449 -3.34701 63.546000 Cu 0.803216 0.0207579 0.5 207 63.546 0.557338 -3.40052 63.546000 Cu 0.828045 0.0400808 3.60183e-19 211 63.546 0.0272765 -3.53975 63.546000 Cu 0.974159 0.0551096 1.23183e-16 212 63.546 0.005157 -3.51554 63.546000 Cu 0.945572 0.0356963 0.5 213 63.546 0.0802983 -3.45871 63.546000 Cu 0.856242 0.0598235 0.5 214 63.546 0.00226376 -3.52879 63.546000 Cu 0.524159 0.0108165 1.80091e-18 223 63.546 0.80954 -3.41592 63.546000 Cu 0.677526 0.0259183 1 224 63.546 0.125024 -3.50444 63.546000 Cu 0.65417 0.00667158 0.5 225 63.546 2.87585 -3.40257 63.546000 Cu 0.561077 0.030499 0.5 226 63.546 0.051971 -3.512 63.546000 Cu 0.591878 0.0502388 5.1266e-17 241 63.546 0.00817092 -3.51041 63.546000 Cu 0.739192 0.0645802 6.80746e-17 242 63.546 0.00309227 -3.5375 63.546000 Cu 0.709933 0.0450018 0.5 243 63.546 0.0182328 -3.54545 63.546000 Cu 0.621514 0.0695661 0.5 244 63.546 0.00159223 -3.53366 63.546000 Cu 0.0324654 0.0939434 1.09976e-16 230 63.546 0.000142196 -3.53614 63.546000 Cu 0.00317105 0.0745315 0.5 231 63.546 0.000797299 -3.53053 63.546000 Cu 0.26795 0.0841922 1 234 63.546 0.000240534 -3.53172 63.546000 Cu 0.150329 0.0890308 0.5 236 63.546 0.00055543 -3.53759 63.546000 Cu 0.385419 0.0793762 0.5 240 63.546 0.000745256 -3.52928 63.546000 Cu 0.0903547 0.132912 1.22342e-16 248 63.546 1.59549e-05 -3.53485 63.546000 Cu 0.0614724 0.113413 0.5 249 63.546 0.000113879 -3.53584 63.546000 Cu 0.179171 0.108549 1.36389e-16 251 63.546 3.1097e-05 -3.5341 63.546000 Cu 0.325812 0.123194 1.84894e-17 252 63.546 5.11389e-05 -3.53316 63.546000 Cu 0.296812 0.103709 0.5 253 63.546 0.0001145 -3.53165 63.546000 Cu 0.208074 0.128049 0.5 254 63.546 1.98805e-05 -3.53337 63.546000 Cu 0.414549 0.0988552 1.32067e-18 255 63.546 0.000199778 -3.53195 63.546000 Cu 0.443643 0.118306 0.5 258 63.546 2.9835e-05 -3.53485 63.546000 Cu 0.354857 0.142668 0.5 271 63.546 1.20835e-05 -3.53484 63.546000 Cu 0.472622 0.137791 2.37721e-17 273 63.546 1.66429e-05 -3.53526 63.546000 Cu 0.796812 0.103709 2.24754e-16 227 63.546 0.0001145 -3.53165 63.546000 Cu 0.76795 0.0841922 0.5 228 63.546 0.000240534 -3.53172 63.546000 Cu 0.885419 0.0793762 8.60837e-17 229 63.546 0.000745256 -3.52928 63.546000 Cu 0.914549 0.0988552 0.5 232 63.546 0.000199778 -3.53195 63.546000 Cu 0.503171 0.0745315 1.22582e-16 238 63.546 0.000797299 -3.53053 63.546000 Cu 0.854857 0.142668 2.44564e-16 245 63.546 1.20835e-05 -3.53484 63.546000 Cu 0.825812 0.123194 0.5 246 63.546 5.11389e-05 -3.53316 63.546000 Cu 0.943643 0.118306 1.7697e-16 247 63.546 2.9835e-05 -3.53485 63.546000 Cu 0.972622 0.137791 0.5 250 63.546 1.66429e-05 -3.53526 63.546000 Cu 0.561472 0.113413 5.28268e-18 256 63.546 0.000113879 -3.53584 63.546000 Cu 0.532465 0.0939434 0.5 257 63.546 0.000142196 -3.53614 63.546000 Cu 0.650329 0.0890308 9.14865e-17 259 63.546 0.00055543 -3.53759 63.546000 Cu 0.679171 0.108549 0.5 260 63.546 3.1097e-05 -3.5341 63.546000 Cu 0.590355 0.132912 0.5 275 63.546 1.59549e-05 -3.53485 63.546000 Cu 0.708074 0.128049 1.23063e-16 277 63.546 1.98805e-05 -3.53337 63.546000 Cu 0.00162129 0.157291 1.68446e-16 265 63.546 4.74897e-06 -3.53492 63.546000 Cu 0.148427 0.17192 1.3711e-16 266 63.546 4.88511e-06 -3.53504 63.546000 Cu 0.119323 0.152416 0.5 267 63.546 1.56158e-05 -3.53447 63.546000 Cu 0.0306862 0.176798 0.5 268 63.546 4.12065e-06 -3.53538 63.546000 Cu 0.23705 0.147542 1.47675e-16 269 63.546 2.41965e-05 -3.53452 63.546000 Cu 0.383879 0.162165 0 270 63.546 9.85319e-06 -3.53542 63.546000 Cu 0.266131 0.167043 0.5 272 63.546 7.34385e-06 -3.53529 63.546000 Cu 0.0597682 0.196314 1.32067e-18 283 63.546 3.25607e-06 -3.536 63.546000 Cu 0.206618 0.210944 2.43844e-16 284 63.546 5.70045e-06 -3.53542 63.546000 Cu 0.1775 0.191432 0.5 285 63.546 3.17117e-06 -3.5354 63.546000 Cu 0.295257 0.186554 5.87098e-17 287 63.546 4.17308e-06 -3.53495 63.546000 Cu 0.442074 0.201196 1.21502e-16 288 63.546 9.56013e-06 -3.53581 63.546000 Cu 0.412947 0.181674 0.5 289 63.546 7.02548e-06 -3.53524 63.546000 Cu 0.324329 0.206063 0.5 290 63.546 1.47879e-05 -3.53517 63.546000 Cu 0.766131 0.167043 1.08055e-18 261 63.546 7.34385e-06 -3.53529 63.546000 Cu 0.912947 0.181674 2.1611e-18 262 63.546 7.02548e-06 -3.53524 63.546000 Cu 0.883879 0.162165 0.5 263 63.546 9.85319e-06 -3.53542 63.546000 Cu 0.795257 0.186554 0.5 264 63.546 4.17308e-06 -3.53495 63.546000 Cu 0.619323 0.152416 6.00305e-19 274 63.546 1.56158e-05 -3.53447 63.546000 Cu 0.501621 0.157291 0.5 276 63.546 4.74897e-06 -3.53492 63.546000 Cu 0.73705 0.147542 0.5 278 63.546 2.41965e-05 -3.53452 63.546000 Cu 0.824329 0.206063 1.42032e-16 279 63.546 1.47879e-05 -3.53517 63.546000 Cu 0.942074 0.201196 0.5 281 63.546 9.56013e-06 -3.53581 63.546000 Cu 0.530686 0.176798 1.3771e-16 291 63.546 4.12065e-06 -3.53538 63.546000 Cu 0.6775 0.191432 1.28105e-16 292 63.546 3.17117e-06 -3.5354 63.546000 Cu 0.648427 0.17192 0.5 293 63.546 4.88511e-06 -3.53504 63.546000 Cu 0.559768 0.196314 0.5 294 63.546 3.25607e-06 -3.536 63.546000 Cu 0.706618 0.210944 0.5 311 63.546 5.70045e-06 -3.53542 63.546000 Cu 0.0888897 0.215834 0.5 286 63.546 1.28028e-05 -3.53614 63.546000 Cu 0.0292519 0.259725 1.39871e-16 298 63.546 1.07108e-05 -3.53492 63.546000 Cu 0.000169931 0.240231 0.5 299 63.546 2.47875e-05 -3.53497 63.546000 Cu 0.117942 0.235339 1.21982e-16 301 63.546 6.92938e-06 -3.53513 63.546000 Cu 0.264673 0.249969 1.22342e-16 302 63.546 1.77482e-05 -3.53461 63.546000 Cu 0.235734 0.23046 0.5 303 63.546 3.58444e-05 -3.53497 63.546000 Cu 0.147005 0.25484 0.5 304 63.546 2.28875e-05 -3.53447 63.546000 Cu 0.353408 0.225591 1.34348e-16 305 63.546 5.44657e-06 -3.53532 63.546000 Cu 0.471106 0.220717 0.5 307 63.546 1.60281e-05 -3.53591 63.546000 Cu 0.382474 0.24511 0.5 308 63.546 4.37901e-05 -3.53477 63.546000 Cu 0.0582409 0.279211 0.5 317 63.546 3.35556e-05 -3.53538 63.546000 Cu 0.176023 0.274346 1.26544e-16 319 63.546 1.45672e-05 -3.53504 63.546000 Cu 0.293716 0.269487 0.5 321 63.546 2.85259e-05 -3.5351 63.546000 Cu 0.411397 0.264607 2.24874e-16 323 63.546 4.5544e-05 -3.53533 63.546000 Cu 0.440521 0.2841 0.5 326 63.546 1.92373e-05 -3.53535 63.546000 Cu 0.971106 0.220717 7.20366e-19 280 63.546 1.60281e-05 -3.53591 63.546000 Cu 0.853408 0.225591 0.5 282 63.546 5.44657e-06 -3.53532 63.546000 Cu 0.793716 0.269487 1.66405e-16 295 63.546 2.85259e-05 -3.5351 63.546000 Cu 0.764673 0.249969 0.5 296 63.546 1.77482e-05 -3.53461 63.546000 Cu 0.882474 0.24511 1.21021e-16 297 63.546 4.37901e-05 -3.53477 63.546000 Cu 0.911397 0.264607 0.5 300 63.546 4.5544e-05 -3.53533 63.546000 Cu 0.50017 0.240231 4.41824e-17 306 63.546 2.47875e-05 -3.53497 63.546000 Cu 0.58889 0.215834 1.21982e-16 309 63.546 1.28028e-05 -3.53614 63.546000 Cu 0.735734 0.23046 1.40231e-16 310 63.546 3.58444e-05 -3.53497 63.546000 Cu 0.617942 0.235339 0.5 312 63.546 6.92938e-06 -3.53513 63.546000 Cu 0.940521 0.2841 2.43724e-16 315 63.546 1.92373e-05 -3.53535 63.546000 Cu 0.558241 0.279211 3.01353e-17 324 63.546 3.35556e-05 -3.53538 63.546000 Cu 0.529252 0.259725 0.5 325 63.546 1.07108e-05 -3.53492 63.546000 Cu 0.647005 0.25484 8.68041e-17 327 63.546 2.28875e-05 -3.53447 63.546000 Cu 0.676023 0.274346 0.5 328 63.546 1.45672e-05 -3.53504 63.546000 Cu 0.087294 0.298714 2.05304e-16 316 63.546 1.30639e-05 -3.53498 63.546000 Cu 0.322696 0.288983 2.01102e-16 320 63.546 5.89774e-05 -3.53474 63.546000 Cu 0.204949 0.293849 0.5 322 63.546 3.4487e-05 -3.53486 63.546000 Cu 0.145213 0.33767 2.45165e-16 334 63.546 2.77949e-05 -3.53449 63.546000 Cu 0.116248 0.318206 0.5 335 63.546 4.82116e-05 -3.53442 63.546000 Cu 0.0274959 0.34255 0.5 336 63.546 4.91648e-05 -3.53492 63.546000 Cu 0.234019 0.313334 1.55959e-16 337 63.546 3.51248e-05 -3.53434 63.546000 Cu 0.380868 0.327921 2.58731e-16 338 63.546 5.51779e-05 -3.53415 63.546000 Cu 0.351763 0.308447 0.5 339 63.546 1.23349e-05 -3.53426 63.546000 Cu 0.263087 0.33279 0.5 340 63.546 3.21813e-05 -3.53426 63.546000 Cu 0.469583 0.303577 2.37961e-16 341 63.546 3.80018e-05 -3.53451 63.546000 Cu 0.292038 0.352253 1.28345e-16 355 63.546 7.80291e-05 -3.53436 63.546000 Cu 0.409769 0.347404 0.5 357 63.546 4.54565e-06 -3.53485 63.546000 Cu 0.498532 0.323058 0.5 344 63.546 6.77352e-06 -3.53425 63.546000 Cu 0.174261 0.357125 0.5 353 63.546 3.54791e-05 -3.53387 63.546000 Cu 0.998532 0.323058 1.22702e-16 333 63.546 6.77352e-06 -3.53425 63.546000 Cu 0.851763 0.308447 1.23183e-16 313 63.546 1.23349e-05 -3.53426 63.546000 Cu 0.822696 0.288983 0.5 314 63.546 5.89774e-05 -3.53474 63.546000 Cu 0.969583 0.303577 0.5 318 63.546 3.80018e-05 -3.53451 63.546000 Cu 0.763087 0.33279 2.19471e-16 329 63.546 3.21813e-05 -3.53426 63.546000 Cu 0.909769 0.347404 3.67147e-16 330 63.546 4.54565e-06 -3.53485 63.546000 Cu 0.880868 0.327921 0.5 331 63.546 5.51779e-05 -3.53415 63.546000 Cu 0.792038 0.352253 0.5 332 63.546 7.80291e-05 -3.53436 63.546000 Cu 0.616248 0.318206 1.68806e-16 342 63.546 4.82116e-05 -3.53442 63.546000 Cu 0.587294 0.298714 0.5 343 63.546 1.30639e-05 -3.53498 63.546000 Cu 0.704949 0.293849 1.53438e-16 345 63.546 3.4487e-05 -3.53486 63.546000 Cu 0.734019 0.313334 0.5 346 63.546 3.51248e-05 -3.53434 63.546000 Cu 0.527496 0.34255 2.25114e-16 359 63.546 4.91648e-05 -3.53492 63.546000 Cu 0.645213 0.33767 0.5 361 63.546 2.77949e-05 -3.53449 63.546000 Cu 0.674261 0.357125 5.01855e-17 360 63.546 3.54791e-05 -3.53387 63.546000 Cu 0.056432 0.362018 2.46245e-16 351 63.546 8.5557e-05 -3.53467 63.546000 Cu 0.203351 0.376584 2.45765e-16 352 63.546 0.000241746 -3.53229 63.546000 Cu 0.0855754 0.381443 0.5 354 63.546 0.000207159 -3.53184 63.546000 Cu 0.438627 0.366901 2.45885e-16 356 63.546 0.0001879 -3.53628 63.546000 Cu 0.321027 0.371748 0.5 358 63.546 4.34391e-05 -3.53512 63.546000 Cu 0.0261085 0.425156 1.23543e-16 366 63.546 0.00567173 -3.51585 63.546000 Cu 0.114827 0.400904 1.23783e-16 369 63.546 0.00105231 -3.52962 63.546000 Cu 0.26099 0.415713 1.24023e-16 370 63.546 0.00384058 -3.53742 63.546000 Cu 0.232267 0.39609 0.5 371 63.546 0.000321627 -3.53206 63.546000 Cu 0.144024 0.420447 0.5 372 63.546 0.00267127 -3.52922 63.546000 Cu 0.349804 0.391273 3.67867e-16 373 63.546 0.000806301 -3.53756 63.546000 Cu 0.467652 0.386366 0.5 375 63.546 0.000297485 -3.53588 63.546000 Cu 0.37867 0.410722 0.5 376 63.546 0.00179268 -3.53326 63.546000 Cu 0.49703 0.40575 1.49236e-16 374 63.546 0.000858801 -3.53008 63.546000 Cu 0.99703 0.40575 0.5 367 63.546 0.000858801 -3.53008 63.546000 Cu 0.821027 0.371748 2.45765e-16 347 63.546 4.34391e-05 -3.53512 63.546000 Cu 0.967652 0.386366 2.46365e-16 348 63.546 0.000297485 -3.53588 63.546000 Cu 0.938627 0.366901 0.5 349 63.546 0.0001879 -3.53628 63.546000 Cu 0.849804 0.391273 0.5 350 63.546 0.000806301 -3.53756 63.546000 Cu 0.556432 0.362018 0.5 362 63.546 8.5557e-05 -3.53467 63.546000 Cu 0.76099 0.415713 0.5 364 63.546 0.00384058 -3.53742 63.546000 Cu 0.87867 0.410722 1.24143e-16 365 63.546 0.00179268 -3.53326 63.546000 Cu 0.585575 0.381443 1.90657e-16 377 63.546 0.000207159 -3.53184 63.546000 Cu 0.732267 0.39609 2.46485e-16 378 63.546 0.000321627 -3.53206 63.546000 Cu 0.703351 0.376584 0.5 379 63.546 0.000241746 -3.53229 63.546000 Cu 0.614827 0.400904 0.5 380 63.546 0.00105231 -3.52962 63.546000 Cu 0.526108 0.425156 0.5 393 63.546 0.00567173 -3.51585 63.546000 Cu 0.644024 0.420447 1.24023e-16 395 63.546 0.00267127 -3.52922 63.546000 Cu 0.0830578 0.465424 9.26871e-17 384 63.546 0.509345 -3.34793 63.546000 Cu 0.0545911 0.444573 0.5 385 63.546 0.0800239 -3.45841 63.546000 Cu 0.172094 0.440199 1.08055e-18 387 63.546 0.0288304 -3.53978 63.546000 Cu 0.322639 0.45433 1 388 63.546 0.125976 -3.50416 63.546000 Cu 0.290239 0.435271 0.5 389 63.546 0.0187752 -3.54556 63.546000 Cu 0.196867 0.459501 0.5 390 63.546 0.555723 -3.40037 63.546000 Cu 0.408397 0.430025 1.03252e-16 391 63.546 0.00838703 -3.51042 63.546000 Cu 0.439151 0.449756 0.5 394 63.546 0.0530118 -3.51144 63.546000 Cu 0.000578704 0.490158 1.12137e-16 399 63.546 4.45998 -3.59195 63.546000 Cu 0.123978 0.490135 0.5 400 63.546 8.59189 -3.94208 63.546000 Cu 0.226676 0.477368 8.40427e-19 401 63.546 9.18408 -3.05696 63.546000 Cu 0.375786 0.490149 1 402 63.546 8.30728 -2.808 63.546000 Cu 0.345923 0.473554 0.5 403 63.546 2.85916 -3.40168 63.546000 Cu 0.475895 0.469441 1.02052e-17 405 63.546 0.808602 -3.41658 63.546000 Cu 0.726676 0.477368 0.5 1 63.546 9.18408 -3.05696 63.546000 Cu 0.696867 0.459501 5.37873e-17 8 63.546 0.555723 -3.40037 63.546000 Cu 0.790239 0.435271 1.23903e-16 363 63.546 0.0187752 -3.54556 63.546000 Cu 0.908397 0.430025 0.5 368 63.546 0.00838703 -3.51042 63.546000 Cu 0.845923 0.473554 2.64134e-18 381 63.546 2.85916 -3.40168 63.546000 Cu 0.822639 0.45433 0.5 382 63.546 0.125976 -3.50416 63.546000 Cu 0.939151 0.449756 1 383 63.546 0.0530118 -3.51144 63.546000 Cu 0.975895 0.469441 0.5 386 63.546 0.808602 -3.41658 63.546000 Cu 0.554591 0.444573 1.20061e-18 392 63.546 0.0800239 -3.45841 63.546000 Cu 0.672094 0.440199 0.5 396 63.546 0.0288304 -3.53978 63.546000 Cu 0.875786 0.490149 0.5 398 63.546 8.30728 -2.808 63.546000 Cu 0.623978 0.490135 4.98253e-17 406 63.546 8.59189 -3.94208 63.546000 Cu 0.583058 0.465424 0.5 407 63.546 0.509345 -3.34793 63.546000 Cu 0.500579 0.490158 0.5 408 63.546 4.45998 -3.59195 63.546000 Cu 0.0830165 0.514905 1.89696e-17 3 63.546 0.510697 -3.34691 63.546000 Cu 0.196849 0.520814 0.5 5 63.546 0.555555 -3.40114 63.546000 Cu 0.226413 0.502904 1.08055e-17 6 63.546 9.19584 -3.05897 63.546000 Cu 0.322491 0.525949 1.23063e-16 7 63.546 0.12345 -3.50478 63.546000 Cu 0.475814 0.510853 1.98101e-17 9 63.546 0.813028 -3.41607 63.546000 Cu 0.438978 0.530533 0.5 12 63.546 0.0517118 -3.51176 63.546000 Cu 0.025947 0.555154 9.29272e-17 18 63.546 0.00487923 -3.51638 63.546000 Cu 0.0545456 0.535739 0.5 19 63.546 0.0788676 -3.45891 63.546000 Cu 0.172093 0.540139 1.40231e-16 21 63.546 0.0259048 -3.53955 63.546000 Cu 0.143929 0.559879 0.5 22 63.546 0.00249705 -3.52965 63.546000 Cu 0.260981 0.56465 1.22342e-16 23 63.546 0.00243216 -3.53798 63.546000 Cu 0.290217 0.54505 0.5 24 63.546 0.0182237 -3.5455 63.546000 Cu 0.408226 0.550276 1.23183e-16 25 63.546 0.00745044 -3.51113 63.546000 Cu 0.378609 0.569621 0.5 28 63.546 0.00167714 -3.53389 63.546000 Cu 0.345747 0.506714 0.5 404 63.546 2.87271 -3.401 63.546000 Cu 0.726413 0.502904 0.5 2 63.546 9.19584 -3.05897 63.546000 Cu 0.975814 0.510853 0.5 4 63.546 0.813028 -3.41607 63.546000 Cu 0.554546 0.535739 1.23063e-16 10 63.546 0.0788676 -3.45891 63.546000 Cu 0.583017 0.514905 0.5 11 63.546 0.510697 -3.34691 63.546000 Cu 0.696849 0.520814 1.35549e-16 13 63.546 0.555555 -3.40114 63.546000 Cu 0.790217 0.54505 1.08055e-18 14 63.546 0.0182237 -3.5455 63.546000 Cu 0.822491 0.525949 0.5 15 63.546 0.12345 -3.50478 63.546000 Cu 0.672093 0.540139 0.5 16 63.546 0.0259048 -3.53955 63.546000 Cu 0.938978 0.530533 1.22822e-16 17 63.546 0.0517118 -3.51176 63.546000 Cu 0.908226 0.550276 0.5 20 63.546 0.00745044 -3.51113 63.546000 Cu 0.525947 0.555154 0.5 27 63.546 0.00487923 -3.51638 63.546000 Cu 0.643929 0.559879 1.44073e-18 29 63.546 0.00249705 -3.52965 63.546000 Cu 0.760981 0.56465 0.5 31 63.546 0.00243216 -3.53798 63.546000 Cu 0.878609 0.569621 1 33 63.546 0.00167714 -3.53389 63.546000 Cu 0.845747 0.506714 2.04104e-18 397 63.546 2.87271 -3.401 63.546000 Cu 0.496935 0.574582 1 26 63.546 0.00066259 -3.53082 63.546000 Cu 0.11468 0.579429 4.80244e-19 37 63.546 0.000591011 -3.52988 63.546000 Cu 0.203344 0.603767 1 38 63.546 7.26083e-05 -3.53167 63.546000 Cu 0.0855602 0.598909 0.5 39 63.546 0.000116129 -3.532 63.546000 Cu 0.232214 0.584261 0.5 40 63.546 0.000278463 -3.53211 63.546000 Cu 0.349879 0.589102 2.97751e-17 41 63.546 0.000361009 -3.53704 63.546000 Cu 0.43876 0.613482 1 42 63.546 4.10238e-05 -3.53508 63.546000 Cu 0.467651 0.594004 0.5 43 63.546 0.000180575 -3.53552 63.546000 Cu 0.321028 0.608616 0.5 44 63.546 2.05012e-05 -3.53347 63.546000 Cu 0.0565509 0.618366 1 53 63.546 2.96017e-05 -3.53458 63.546000 Cu 0.145242 0.642723 2.40122e-19 54 63.546 3.74671e-05 -3.535 63.546000 Cu 0.174368 0.623246 0.5 55 63.546 4.11891e-05 -3.53305 63.546000 Cu 0.027522 0.637855 0.5 56 63.546 2.91776e-05 -3.53572 63.546000 Cu 0.292095 0.628107 1 57 63.546 4.06636e-05 -3.5333 63.546000 Cu 0.409803 0.632974 0.5 59 63.546 4.06103e-05 -3.53497 63.546000 Cu 0.732214 0.584261 1.15619e-16 30 63.546 0.000278463 -3.53211 63.546000 Cu 0.61468 0.579429 0.5 32 63.546 0.000591011 -3.52988 63.546000 Cu 0.967651 0.594004 1.68085e-18 34 63.546 0.000180575 -3.53552 63.546000 Cu 0.996935 0.574582 0.5 35 63.546 0.00066259 -3.53082 63.546000 Cu 0.849879 0.589102 0.5 36 63.546 0.000361009 -3.53704 63.546000 Cu 0.58556 0.598909 8.40427e-19 45 63.546 0.000116129 -3.532 63.546000 Cu 0.674368 0.623246 0 46 63.546 4.11891e-05 -3.53305 63.546000 Cu 0.703344 0.603767 0.5 47 63.546 7.26083e-05 -3.53167 63.546000 Cu 0.556551 0.618366 0.5 48 63.546 2.96017e-05 -3.53458 63.546000 Cu 0.821028 0.608616 1.22702e-16 49 63.546 2.05012e-05 -3.53347 63.546000 Cu 0.909803 0.632974 1 50 63.546 4.06103e-05 -3.53497 63.546000 Cu 0.93876 0.613482 0.5 51 63.546 4.10238e-05 -3.53508 63.546000 Cu 0.792095 0.628107 0.5 52 63.546 4.06636e-05 -3.5333 63.546000 Cu 0.527522 0.637855 1 61 63.546 2.91776e-05 -3.53572 63.546000 Cu 0.645242 0.642723 0.5 63 63.546 3.74671e-05 -3.535 63.546000 Cu 0.380655 0.652476 1 58 63.546 2.13594e-05 -3.53519 63.546000 Cu 0.26297 0.647597 0.5 60 63.546 3.64164e-05 -3.53473 63.546000 Cu 0.49833 0.657351 0.5 64 63.546 8.26891e-06 -3.53575 63.546000 Cu 0.0867471 0.681733 0 70 63.546 5.91063e-06 -3.53527 63.546000 Cu 0.116046 0.662229 0.5 71 63.546 1.54015e-05 -3.53575 63.546000 Cu 0.204473 0.686609 0.5 73 63.546 1.61314e-05 -3.53498 63.546000 Cu 0.233651 0.667096 1 74 63.546 2.25685e-05 -3.53527 63.546000 Cu 0.322104 0.691477 1 75 63.546 3.82083e-06 -3.53501 63.546000 Cu 0.351357 0.67197 0.5 76 63.546 1.1031e-05 -3.53522 63.546000 Cu 0.469063 0.676854 1 77 63.546 1.36572e-06 -3.53528 63.546000 Cu 0.439783 0.696352 0.5 80 63.546 7.8626e-06 -3.53544 63.546000 Cu 0.0575055 0.701235 0.5 87 63.546 2.8063e-06 -3.53556 63.546000 Cu 0.175179 0.70611 1 89 63.546 9.18852e-06 -3.53519 63.546000 Cu 0.292888 0.710987 0.5 92 63.546 6.28238e-06 -3.53514 63.546000 Cu 0.616046 0.662229 1 62 63.546 1.54015e-05 -3.53575 63.546000 Cu 0.76297 0.647597 1 65 63.546 3.64164e-05 -3.53473 63.546000 Cu 0.851357 0.67197 2.40122e-19 66 63.546 1.1031e-05 -3.53522 63.546000 Cu 0.880655 0.652476 0.5 67 63.546 2.13594e-05 -3.53519 63.546000 Cu 0.733651 0.667096 0.5 68 63.546 2.25685e-05 -3.53527 63.546000 Cu 0.99833 0.657351 1 69 63.546 8.26891e-06 -3.53575 63.546000 Cu 0.969063 0.676854 0.5 72 63.546 1.36572e-06 -3.53528 63.546000 Cu 0.557505 0.701235 1.20061e-19 78 63.546 2.8063e-06 -3.53556 63.546000 Cu 0.586747 0.681733 0.5 79 63.546 5.91063e-06 -3.53527 63.546000 Cu 0.704473 0.686609 7.46779e-17 81 63.546 1.61314e-05 -3.53498 63.546000 Cu 0.792888 0.710987 2.40122e-19 82 63.546 6.28238e-06 -3.53514 63.546000 Cu 0.822104 0.691477 0.5 83 63.546 3.82083e-06 -3.53501 63.546000 Cu 0.675179 0.70611 0.5 84 63.546 9.18852e-06 -3.53519 63.546000 Cu 0.939783 0.696352 1 85 63.546 7.8626e-06 -3.53544 63.546000 Cu 0.0282732 0.720738 1 86 63.546 1.25118e-05 -3.53577 63.546000 Cu 0.146002 0.72562 0.5 90 63.546 1.75125e-05 -3.53524 63.546000 Cu 0.26368 0.730491 1.22462e-16 91 63.546 3.29461e-05 -3.53495 63.546000 Cu 0.41055 0.715859 2.40122e-19 93 63.546 1.82005e-05 -3.53574 63.546000 Cu 0.499172 0.740241 2.44684e-16 94 63.546 6.71925e-06 -3.53459 63.546000 Cu 0.381445 0.735364 0.5 96 63.546 6.5347e-06 -3.53483 63.546000 Cu 0.116877 0.745116 3.02554e-17 105 63.546 1.33506e-05 -3.53489 63.546000 Cu 0.205588 0.769484 1.28825e-16 106 63.546 7.26563e-06 -3.53529 63.546000 Cu 0.0878519 0.764605 0.5 107 63.546 3.07655e-06 -3.53485 63.546000 Cu 0.234681 0.74999 0.5 108 63.546 1.41527e-05 -3.53484 63.546000 Cu 0.352358 0.754858 1.87655e-16 109 63.546 3.8281e-06 -3.53442 63.546000 Cu 0.441038 0.779217 1.46354e-16 110 63.546 7.46217e-06 -3.53477 63.546000 Cu 0.470093 0.75973 0.5 111 63.546 3.12668e-06 -3.53432 63.546000 Cu 0.323302 0.774357 0.5 112 63.546 9.35584e-06 -3.53483 63.546000 Cu 0.0587707 0.784087 1.19821e-16 121 63.546 1.19612e-05 -3.53496 63.546000 Cu 0.91055 0.715859 0.5 88 63.546 1.82005e-05 -3.53574 63.546000 Cu 0.528273 0.720738 0.5 95 63.546 1.25118e-05 -3.53577 63.546000 Cu 0.646002 0.72562 4.61034e-17 97 63.546 1.75125e-05 -3.53524 63.546000 Cu 0.734681 0.74999 1.94259e-16 98 63.546 1.41527e-05 -3.53484 63.546000 Cu 0.76368 0.730491 0.5 99 63.546 3.29461e-05 -3.53495 63.546000 Cu 0.616877 0.745116 0.5 100 63.546 1.33506e-05 -3.53489 63.546000 Cu 0.881445 0.735364 2.23313e-17 101 63.546 6.5347e-06 -3.53483 63.546000 Cu 0.970093 0.75973 9.50883e-17 102 63.546 3.12668e-06 -3.53432 63.546000 Cu 0.999172 0.740241 0.5 103 63.546 6.71925e-06 -3.53459 63.546000 Cu 0.852358 0.754858 0.5 104 63.546 3.8281e-06 -3.53442 63.546000 Cu 0.587852 0.764605 1.58961e-16 113 63.546 3.07655e-06 -3.53485 63.546000 Cu 0.705588 0.769484 0.5 115 63.546 7.26563e-06 -3.53529 63.546000 Cu 0.558771 0.784087 0.5 116 63.546 1.19612e-05 -3.53496 63.546000 Cu 0.823302 0.774357 0 117 63.546 9.35584e-06 -3.53483 63.546000 Cu 0.941038 0.779217 0.5 119 63.546 7.46217e-06 -3.53477 63.546000 Cu 0.147396 0.808439 2.43724e-16 122 63.546 2.63954e-05 -3.53502 63.546000 Cu 0.176544 0.788972 0.5 123 63.546 2.21249e-05 -3.53501 63.546000 Cu 0.0296559 0.803576 0.5 124 63.546 1.16106e-05 -3.53505 63.546000 Cu 0.294312 0.793847 1.47435e-16 125 63.546 5.03305e-05 -3.53472 63.546000 Cu 0.382856 0.818204 1.23063e-16 126 63.546 3.53325e-05 -3.53549 63.546000 Cu 0.411984 0.798714 0.5 127 63.546 8.07067e-06 -3.53496 63.546000 Cu 0.265138 0.813324 0.5 128 63.546 6.29819e-06 -3.5352 63.546000 Cu 0.0891542 0.847407 2.44324e-16 138 63.546 1.44423e-05 -3.53415 63.546000 Cu 0.118193 0.827923 0.5 139 63.546 4.27439e-05 -3.53448 63.546000 Cu 0.206834 0.852255 0.5 141 63.546 7.50576e-05 -3.53421 63.546000 Cu 0.235922 0.832789 1.90537e-16 142 63.546 3.92779e-05 -3.53529 63.546000 Cu 0.35373 0.837673 0.5 144 63.546 1.75458e-05 -3.53594 63.546000 Cu 0.471485 0.842552 9.60488e-19 145 63.546 5.43219e-05 -3.53555 63.546000 Cu 0.000578039 0.823064 1.21502e-16 137 63.546 8.14941e-06 -3.53493 63.546000 Cu 0.32464 0.857125 1.56079e-18 143 63.546 2.96471e-05 -3.53402 63.546000 Cu 0.500578 0.823064 0.5 132 63.546 8.14941e-06 -3.53493 63.546000 Cu 0.676544 0.788972 1.22462e-16 114 63.546 2.21249e-05 -3.53501 63.546000 Cu 0.911984 0.798714 1.21742e-16 118 63.546 8.07067e-06 -3.53496 63.546000 Cu 0.794312 0.793847 0.5 120 63.546 5.03305e-05 -3.53472 63.546000 Cu 0.529656 0.803576 7.20366e-19 129 63.546 1.16106e-05 -3.53505 63.546000 Cu 0.618193 0.827923 0 130 63.546 4.27439e-05 -3.53448 63.546000 Cu 0.647396 0.808439 0.5 131 63.546 2.63954e-05 -3.53502 63.546000 Cu 0.765138 0.813324 1.21382e-16 133 63.546 6.29819e-06 -3.5352 63.546000 Cu 0.85373 0.837673 2.43244e-16 134 63.546 1.75458e-05 -3.53594 63.546000 Cu 0.882856 0.818204 0.5 135 63.546 3.53325e-05 -3.53549 63.546000 Cu 0.735922 0.832789 0.5 136 63.546 3.92779e-05 -3.53529 63.546000 Cu 0.971485 0.842552 0.5 140 63.546 5.43219e-05 -3.53555 63.546000 Cu 0.589154 0.847407 0.5 147 63.546 1.44423e-05 -3.53415 63.546000 Cu 0.706834 0.852255 0 149 63.546 7.50576e-05 -3.53421 63.546000 Cu 0.82464 0.857125 0.5 151 63.546 2.96471e-05 -3.53402 63.546000 Cu 0.442457 0.86202 0.5 148 63.546 0.000107483 -3.53446 63.546000 Cu 0.0313245 0.886349 1.81652e-16 154 63.546 0.000326201 -3.53572 63.546000 Cu 0.0602353 0.866894 0.5 155 63.546 0.000155899 -3.5354 63.546000 Cu 0.177865 0.871735 2.45645e-16 157 63.546 6.91343e-05 -3.53438 63.546000 Cu 0.149169 0.891246 0.5 158 63.546 0.000663714 -3.53728 63.546000 Cu 0.266735 0.896061 1.20661e-16 159 63.546 0.000325404 -3.53165 63.546000 Cu 0.295573 0.876571 0.5 160 63.546 0.000246858 -3.53128 63.546000 Cu 0.41333 0.881432 1.32307e-16 161 63.546 0.000176229 -3.53099 63.546000 Cu 0.384226 0.900871 0.5 164 63.546 0.00115064 -3.52934 63.546000 Cu 0.12048 0.910693 2.32438e-16 173 63.546 0.00173309 -3.53301 63.546000 Cu 0.238187 0.91567 0.5 176 63.546 0.00341368 -3.53713 63.546000 Cu 0.355234 0.920406 2.13108e-16 177 63.546 0.00263525 -3.52926 63.546000 Cu 0.473191 0.925117 0.5 179 63.546 0.00557678 -3.51575 63.546000 Cu 0.00207722 0.905725 0.5 171 63.546 0.000761437 -3.5305 63.546000 Cu 0.502077 0.905725 1.73248e-16 162 63.546 0.000761437 -3.5305 63.546000 Cu 0.560235 0.866894 8.17615e-17 146 63.546 0.000155899 -3.5354 63.546000 Cu 0.795573 0.876571 3.60183e-19 150 63.546 0.000246858 -3.53128 63.546000 Cu 0.677865 0.871735 0.5 152 63.546 6.91343e-05 -3.53438 63.546000 Cu 0.942457 0.86202 1.21262e-16 153 63.546 0.000107483 -3.53446 63.546000 Cu 0.91333 0.881432 0.5 156 63.546 0.000176229 -3.53099 63.546000 Cu 0.531324 0.886349 0.5 163 63.546 0.000326201 -3.53572 63.546000 Cu 0.649169 0.891246 6.25518e-17 165 63.546 0.000663714 -3.53728 63.546000 Cu 0.738187 0.91567 2.46845e-16 166 63.546 0.00341368 -3.53713 63.546000 Cu 0.766735 0.896061 0.5 167 63.546 0.000325404 -3.53165 63.546000 Cu 0.62048 0.910693 0.5 168 63.546 0.00173309 -3.53301 63.546000 Cu 0.884226 0.900871 1.99541e-16 169 63.546 0.00115064 -3.52934 63.546000 Cu 0.973191 0.925117 2.63174e-16 170 63.546 0.00557678 -3.51575 63.546000 Cu 0.855234 0.920406 0.5 172 63.546 0.00263525 -3.52926 63.546000 Cu 0.209164 0.935222 2.52128e-18 174 63.546 0.0179441 -3.54472 63.546000 Cu 0.0910184 0.929993 0.5 175 63.546 0.00772568 -3.50989 63.546000 Cu 0.444936 0.944524 1.45274e-16 178 63.546 0.0796063 -3.45862 63.546000 Cu 0.327382 0.940144 0.5 180 63.546 0.0277199 -3.53974 63.546000 Cu 0.0604856 0.949703 2.84545e-16 189 63.546 0.0516673 -3.51126 63.546000 Cu 0.153819 0.973506 8.0801e-17 190 63.546 2.85371 -3.40102 63.546000 Cu 0.177051 0.95429 0.5 191 63.546 0.121687 -3.5042 63.546000 Cu 0.0238907 0.969385 0.5 192 63.546 0.804734 -3.41724 63.546000 Cu 0.302751 0.959451 1.72167e-16 193 63.546 0.553967 -3.39982 63.546000 Cu 0.375905 0.990097 4.80244e-19 194 63.546 8.58863 -3.94184 63.546000 Cu 0.416655 0.965361 0.5 195 63.546 0.51172 -3.34824 63.546000 Cu 0.273196 0.977326 0.5 196 63.546 9.1813 -3.05974 63.546000 Cu 0.49924 0.990097 0.5 200 63.546 4.46745 -3.59183 63.546000 Cu 0.123999 0.9901 0.5 204 63.546 8.31032 -2.80916 63.546000 Cu 0.591018 0.929993 1.24503e-16 181 63.546 0.00772568 -3.50989 63.546000 Cu 0.677051 0.95429 1.15018e-16 182 63.546 0.121687 -3.5042 63.546000 Cu 0.709164 0.935222 0.5 183 63.546 0.0179441 -3.54472 63.546000 Cu 0.560486 0.949703 0.5 184 63.546 0.0516673 -3.51126 63.546000 Cu 0.827382 0.940144 2.29196e-16 185 63.546 0.0277199 -3.53974 63.546000 Cu 0.916655 0.965361 1.97981e-16 186 63.546 0.51172 -3.34824 63.546000 Cu 0.944936 0.944524 0.5 187 63.546 0.0796063 -3.45862 63.546000 Cu 0.802751 0.959451 0.5 188 63.546 0.553967 -3.39982 63.546000 Cu 0.523891 0.969385 1.45274e-16 197 63.546 0.804734 -3.41724 63.546000 Cu 0.623999 0.9901 1.24023e-16 198 63.546 8.31032 -2.80916 63.546000 Cu 0.653819 0.973506 0.5 199 63.546 2.85371 -3.40102 63.546000 Cu 0.773196 0.977326 1.93298e-16 201 63.546 9.1813 -3.05974 63.546000 Cu 0.875905 0.990097 0.5 202 63.546 8.58863 -3.94184 63.546000 Cu 0.99924 0.990097 1.72167e-16 203 63.546 4.46745 -3.59183