Number of particles = 408 A = 1 Angstrom (basic length-scale) H0(1,1) = 15.0152 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 90.5501 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.63368 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 0.12567 0.0148185 0.5 209 63.546 7.62368 -3.01427 63.546000 Cu 0.272656 0.00204458 0.5 210 63.546 9.20548 -2.98982 63.546000 Cu 0.149344 0.0315917 1.19828e-16 215 63.546 2.80801 -3.18142 63.546000 Cu 0.301591 0.0452494 1.43221e-18 216 63.546 0.478845 -3.22371 63.546000 Cu 0.273092 0.0275626 0.5 217 63.546 9.20279 -2.99076 63.546000 Cu 0.00532362 0.014844 1 206 63.546 2.9338 -3.2719 63.546000 Cu 0.0239728 0.0355318 0.5 213 63.546 0.827846 -3.22685 63.546000 Cu 0.383709 0.014813 7.16103e-19 219 63.546 7.35328 -3.14786 63.546000 Cu 0.523973 0.0355318 1 220 63.546 0.827846 -3.22685 63.546000 Cu 0.505324 0.014844 0.5 221 63.546 2.9338 -3.2719 63.546000 Cu 0.416385 0.0393178 0.5 222 63.546 0.491914 -3.17892 63.546000 Cu 0.62567 0.0148185 1 223 63.546 7.62368 -3.01427 63.546000 Cu 0.649344 0.0315917 0.5 226 63.546 2.80801 -3.18142 63.546000 Cu 0.772656 0.00204458 2.08505e-16 205 63.546 9.20548 -2.98982 63.546000 Cu 0.883709 0.014813 0.5 207 63.546 7.35328 -3.14786 63.546000 Cu 0.916385 0.0393178 2.41446e-16 211 63.546 0.491914 -3.17892 63.546000 Cu 0.773092 0.0275626 2.38701e-18 224 63.546 9.20279 -2.99076 63.546000 Cu 0.801591 0.0452494 0.5 243 63.546 0.478845 -3.22371 63.546000 Cu 0.0585957 0.0554632 3.60916e-16 212 63.546 0.0719956 -3.28009 63.546000 Cu 0.176457 0.0502422 0.5 218 63.546 0.0985509 -3.28861 63.546000 Cu 0.0902081 0.0748115 0.5 231 63.546 0.0069157 -3.27939 63.546000 Cu 0.208322 0.0695336 1 233 63.546 0.0172857 -3.28566 63.546000 Cu 0.326699 0.0644342 0.5 235 63.546 0.0412747 -3.28752 63.546000 Cu 0.237643 0.0891083 0.5 236 63.546 0.00468049 -3.2832 63.546000 Cu 0.354516 0.0843041 1 234 63.546 0.00391618 -3.28192 63.546000 Cu 0.443793 0.0601707 1 237 63.546 0.0563826 -3.28436 63.546000 Cu 0.590208 0.0748115 1 238 63.546 0.0069157 -3.27939 63.546000 Cu 0.558596 0.0554632 0.5 239 63.546 0.0719956 -3.28009 63.546000 Cu 0.472091 0.0797884 0.5 240 63.546 0.0173794 -3.2812 63.546000 Cu 0.676457 0.0502422 1 241 63.546 0.0985509 -3.28861 63.546000 Cu 0.943793 0.0601707 0.5 214 63.546 0.0563826 -3.28436 63.546000 Cu 0.854516 0.0843041 0.5 228 63.546 0.00391618 -3.28192 63.546000 Cu 0.972091 0.0797884 1.51933e-16 229 63.546 0.0173794 -3.2812 63.546000 Cu 0.826699 0.0644342 1.20544e-16 242 63.546 0.0412747 -3.28752 63.546000 Cu 0.708322 0.0695336 0.5 244 63.546 0.0172857 -3.28566 63.546000 Cu 0.737643 0.0891083 2.03851e-16 259 63.546 0.00468049 -3.2832 63.546000 Cu 0.119796 0.0940871 2.58991e-17 230 63.546 0.00258416 -3.28299 63.546000 Cu 0.177215 0.133053 1.18754e-16 248 63.546 0.000101769 -3.28309 63.546000 Cu 0.148548 0.113539 0.5 249 63.546 0.000865945 -3.28369 63.546000 Cu 0.266165 0.108703 1.20186e-16 251 63.546 0.000374871 -3.28249 63.546000 Cu 0.294843 0.128235 0.5 254 63.546 0.000233954 -3.28259 63.546000 Cu 0.00136071 0.0990746 0.5 232 63.546 0.00135425 -3.28234 63.546000 Cu 0.0305962 0.118458 1.7998e-16 247 63.546 0.000284226 -3.28357 63.546000 Cu 0.412625 0.1234 2.39298e-16 252 63.546 0.000521453 -3.28261 63.546000 Cu 0.383517 0.103949 0.5 253 63.546 0.00231998 -3.28193 63.546000 Cu 0.501361 0.0990746 1.20067e-16 255 63.546 0.00135425 -3.28234 63.546000 Cu 0.648548 0.113539 3.77625e-16 256 63.546 0.000865945 -3.28369 63.546000 Cu 0.619796 0.0940871 0.5 257 63.546 0.00258416 -3.28299 63.546000 Cu 0.530596 0.118458 0.5 258 63.546 0.000284226 -3.28357 63.546000 Cu 0.677215 0.133053 0.5 275 63.546 0.000101769 -3.28309 63.546000 Cu 0.883517 0.103949 3.26424e-16 227 63.546 0.00231998 -3.28193 63.546000 Cu 0.912625 0.1234 0.5 246 63.546 0.000521453 -3.28261 63.546000 Cu 0.766165 0.108703 0.5 260 63.546 0.000374871 -3.28249 63.546000 Cu 0.794843 0.128235 2.8119e-16 277 63.546 0.000233954 -3.28259 63.546000 Cu 0.0594685 0.13792 0.5 250 63.546 0.000164986 -3.28334 63.546000 Cu 0.0883253 0.157402 2.40133e-16 265 63.546 5.39678e-05 -3.28311 63.546000 Cu 0.234937 0.172036 1.20544e-16 266 63.546 2.10973e-05 -3.28291 63.546000 Cu 0.206055 0.152552 0.5 267 63.546 1.17816e-05 -3.2829 63.546000 Cu 0.117243 0.176887 0.5 268 63.546 1.83309e-05 -3.28302 63.546000 Cu 0.323801 0.147716 2.58991e-17 269 63.546 0.000132932 -3.28284 63.546000 Cu 0.352703 0.167178 0.5 272 63.546 5.35917e-05 -3.28296 63.546000 Cu 0.470479 0.162282 1.21976e-16 270 63.546 3.24107e-05 -3.28314 63.546000 Cu 0.441569 0.142827 0.5 271 63.546 3.72793e-05 -3.2831 63.546000 Cu 0.559468 0.13792 1.19112e-16 273 63.546 0.000164986 -3.28334 63.546000 Cu 0.588325 0.157402 0.5 276 63.546 5.39678e-05 -3.28311 63.546000 Cu 0.499464 0.181748 0.5 289 63.546 5.59306e-05 -3.28316 63.546000 Cu 0.617243 0.176887 1 291 63.546 1.83309e-05 -3.28302 63.546000 Cu 0.941569 0.142827 1.27228e-16 245 63.546 3.72793e-05 -3.2831 63.546000 Cu 0.852703 0.167178 9.72706e-17 261 63.546 5.35917e-05 -3.28296 63.546000 Cu 0.999464 0.181748 1.20067e-16 262 63.546 5.59306e-05 -3.28316 63.546000 Cu 0.970479 0.162282 0.5 263 63.546 3.24107e-05 -3.28314 63.546000 Cu 0.706055 0.152552 2.04089e-17 274 63.546 1.17816e-05 -3.2829 63.546000 Cu 0.823801 0.147716 0.5 278 63.546 0.000132932 -3.28284 63.546000 Cu 0.734937 0.172036 0.5 293 63.546 2.10973e-05 -3.28291 63.546000 Cu 0.0574784 0.220726 2.38224e-16 280 63.546 3.50844e-05 -3.28305 63.546000 Cu 0.146178 0.196376 1.18992e-16 283 63.546 1.20055e-05 -3.28302 63.546000 Cu 0.292985 0.210996 1 284 63.546 8.37982e-06 -3.2831 63.546000 Cu 0.263857 0.191517 0.5 285 63.546 6.90223e-05 -3.28301 63.546000 Cu 0.175235 0.21586 0.5 286 63.546 7.49559e-06 -3.28305 63.546000 Cu 0.0284598 0.201239 0.5 281 63.546 1.06306e-05 -3.28314 63.546000 Cu 0.381648 0.186636 1 287 63.546 2.56763e-05 -3.28314 63.546000 Cu 0.52846 0.201239 1.79026e-18 288 63.546 1.06306e-05 -3.28314 63.546000 Cu 0.410736 0.206115 0.5 290 63.546 9.6038e-06 -3.28318 63.546000 Cu 0.646178 0.196376 0.5 294 63.546 1.20055e-05 -3.28302 63.546000 Cu 0.43979 0.225604 9.54804e-19 305 63.546 1.07227e-05 -3.28308 63.546000 Cu 0.557478 0.220726 0.5 307 63.546 3.50844e-05 -3.28305 63.546000 Cu 0.675235 0.21586 2.58991e-17 309 63.546 7.49559e-06 -3.28305 63.546000 Cu 0.881648 0.186636 0.5 264 63.546 2.56763e-05 -3.28314 63.546000 Cu 0.910736 0.206115 1.1947e-16 279 63.546 9.6038e-06 -3.28318 63.546000 Cu 0.93979 0.225604 0.5 282 63.546 1.07227e-05 -3.28308 63.546000 Cu 0.763857 0.191517 3.58051e-19 292 63.546 6.90223e-05 -3.28301 63.546000 Cu 0.792985 0.210996 0.5 311 63.546 8.37982e-06 -3.2831 63.546000 Cu 0.116003 0.259707 1.31047e-16 298 63.546 2.00628e-05 -3.28316 63.546000 Cu 0.0866837 0.240215 0.5 299 63.546 1.91407e-05 -3.28307 63.546000 Cu 0.20438 0.235344 1 301 63.546 2.41376e-05 -3.283 63.546000 Cu 0.322088 0.230483 0.5 303 63.546 1.88106e-05 -3.28305 63.546000 Cu 0.233636 0.254836 0.5 304 63.546 3.12218e-05 -3.28311 63.546000 Cu 0.35124 0.249975 7.48327e-17 302 63.546 8.56389e-05 -3.28314 63.546000 Cu 0.586684 0.240215 2.58991e-17 306 63.546 1.91407e-05 -3.28307 63.546000 Cu 0.46895 0.245091 0.5 308 63.546 5.07214e-05 -3.28315 63.546000 Cu 0.380672 0.269474 0.5 321 63.546 8.80294e-06 -3.28321 63.546000 Cu 0.498336 0.264584 3.2702e-17 323 63.546 1.45938e-05 -3.28317 63.546000 Cu 0.616003 0.259707 0.5 325 63.546 2.00628e-05 -3.28316 63.546000 Cu 0.880672 0.269474 1.3045e-16 295 63.546 8.80294e-06 -3.28321 63.546000 Cu 0.85124 0.249975 0.5 296 63.546 8.56389e-05 -3.28314 63.546000 Cu 0.96895 0.245091 2.58991e-17 297 63.546 5.07214e-05 -3.28315 63.546000 Cu 0.998336 0.264584 0.5 300 63.546 1.45938e-05 -3.28317 63.546000 Cu 0.822088 0.230483 1.1756e-16 310 63.546 1.88106e-05 -3.28305 63.546000 Cu 0.70438 0.235344 0.5 312 63.546 2.41376e-05 -3.283 63.546000 Cu 0.733636 0.254836 1.26034e-16 327 63.546 3.12218e-05 -3.28311 63.546000 Cu 0.1747 0.298728 2.58991e-17 316 63.546 8.88317e-06 -3.28306 63.546000 Cu 0.145337 0.279217 0.5 317 63.546 3.04044e-06 -3.28317 63.546000 Cu 0.0569929 0.303595 0.5 318 63.546 1.77744e-05 -3.2831 63.546000 Cu 0.262985 0.274353 5.51399e-17 319 63.546 2.30008e-05 -3.28319 63.546000 Cu 0.292316 0.293853 0.5 322 63.546 2.16347e-05 -3.28305 63.546000 Cu 0.321694 0.313346 2.27243e-16 337 63.546 1.10487e-05 -3.28317 63.546000 Cu 0.0277002 0.284091 1.57662e-16 315 63.546 7.27276e-06 -3.28306 63.546000 Cu 0.410081 0.288965 1.14815e-16 320 63.546 3.50992e-05 -3.28307 63.546000 Cu 0.645337 0.279217 2.8477e-16 324 63.546 3.04044e-06 -3.28317 63.546000 Cu 0.5277 0.284091 0.5 326 63.546 7.27276e-06 -3.28306 63.546000 Cu 0.439362 0.308465 0.5 339 63.546 2.28305e-05 -3.28315 63.546000 Cu 0.556993 0.303595 3.33346e-16 341 63.546 1.77744e-05 -3.2831 63.546000 Cu 0.6747 0.298728 0.5 343 63.546 8.88317e-06 -3.28306 63.546000 Cu 0.939362 0.308465 1.40475e-16 313 63.546 2.28305e-05 -3.28315 63.546000 Cu 0.910081 0.288965 0.5 314 63.546 3.50992e-05 -3.28307 63.546000 Cu 0.762985 0.274353 0.5 328 63.546 2.30008e-05 -3.28319 63.546000 Cu 0.792316 0.293853 2.37507e-16 345 63.546 2.16347e-05 -3.28305 63.546000 Cu 0.821694 0.313346 0.5 346 63.546 1.10487e-05 -3.28317 63.546000 Cu 0.0863975 0.323105 2.58991e-17 333 63.546 3.49822e-06 -3.28314 63.546000 Cu 0.233366 0.337736 1.18396e-16 334 63.546 6.23272e-06 -3.28304 63.546000 Cu 0.204059 0.318231 0.5 335 63.546 6.014e-06 -3.28309 63.546000 Cu 0.115759 0.342616 0.5 336 63.546 2.8123e-05 -3.28307 63.546000 Cu 0.144994 0.362111 1.18992e-16 351 63.546 2.13944e-05 -3.28307 63.546000 Cu 0.262718 0.35724 0.5 353 63.546 1.59503e-05 -3.28299 63.546000 Cu 0.351056 0.332859 0.5 340 63.546 4.98322e-06 -3.28315 63.546000 Cu 0.46876 0.32798 2.61258e-16 338 63.546 1.93067e-05 -3.28316 63.546000 Cu 0.586398 0.323105 0.5 344 63.546 3.49822e-06 -3.28314 63.546000 Cu 0.380342 0.352366 2.3894e-16 355 63.546 1.45713e-05 -3.28307 63.546000 Cu 0.498044 0.347482 0.5 357 63.546 1.79196e-05 -3.28315 63.546000 Cu 0.615759 0.342616 1 359 63.546 2.8123e-05 -3.28307 63.546000 Cu 0.644994 0.362111 0.5 362 63.546 2.13944e-05 -3.28307 63.546000 Cu 0.851056 0.332859 1.86187e-17 329 63.546 4.98322e-06 -3.28315 63.546000 Cu 0.998044 0.347482 1 330 63.546 1.79196e-05 -3.28315 63.546000 Cu 0.96876 0.32798 0.5 331 63.546 1.93067e-05 -3.28316 63.546000 Cu 0.880342 0.352366 0.5 332 63.546 1.45713e-05 -3.28307 63.546000 Cu 0.704059 0.318231 1.51217e-16 342 63.546 6.014e-06 -3.28309 63.546000 Cu 0.762718 0.35724 1 360 63.546 1.59503e-05 -3.28299 63.546000 Cu 0.733366 0.337736 0.5 361 63.546 6.23272e-06 -3.28304 63.546000 Cu 0.0567144 0.386495 0 348 63.546 5.01423e-05 -3.28317 63.546000 Cu 0.292045 0.376754 2.58991e-17 352 63.546 2.4973e-05 -3.28296 63.546000 Cu 0.17438 0.381603 0.5 354 63.546 9.656e-05 -3.28293 63.546000 Cu 0.0862066 0.405964 0.5 367 63.546 0.000567226 -3.28266 63.546000 Cu 0.203842 0.401116 1.20425e-16 369 63.546 0.000265402 -3.2827 63.546000 Cu 0.321377 0.396285 0.5 371 63.546 6.91072e-05 -3.28319 63.546000 Cu 0.0272754 0.366998 0.5 349 63.546 5.55939e-05 -3.28325 63.546000 Cu 0.527275 0.366998 1 356 63.546 5.55939e-05 -3.28325 63.546000 Cu 0.40965 0.371892 0.5 358 63.546 4.76311e-05 -3.28313 63.546000 Cu 0.438928 0.391414 2.39894e-16 373 63.546 0.000219931 -3.28337 63.546000 Cu 0.586207 0.405964 2.59349e-16 374 63.546 0.000567226 -3.28266 63.546000 Cu 0.556714 0.386495 0.5 375 63.546 5.01423e-05 -3.28317 63.546000 Cu 0.67438 0.381603 1 377 63.546 9.656e-05 -3.28293 63.546000 Cu 0.90965 0.371892 1.1935e-19 347 63.546 4.76311e-05 -3.28313 63.546000 Cu 0.938928 0.391414 0.5 350 63.546 0.000219931 -3.28337 63.546000 Cu 0.821377 0.396285 2.58991e-17 378 63.546 6.91072e-05 -3.28319 63.546000 Cu 0.792045 0.376754 0.5 379 63.546 2.4973e-05 -3.28296 63.546000 Cu 0.703842 0.401116 0.5 380 63.546 0.000265402 -3.2827 63.546000 Cu 0.11592 0.425467 3.58051e-19 366 63.546 0.0025232 -3.28187 63.546000 Cu 0.232989 0.420691 0.5 372 63.546 0.000498298 -3.28258 63.546000 Cu 0.145284 0.445171 0.5 385 63.546 0.00476308 -3.28174 63.546000 Cu 0.262005 0.440331 2.58991e-17 387 63.546 0.0048473 -3.28316 63.546000 Cu 0.027797 0.449672 1.20305e-16 383 63.546 0.0175564 -3.28156 63.546000 Cu 0.350593 0.415847 2.58991e-17 370 63.546 0.000905436 -3.2839 63.546000 Cu 0.46842 0.410922 0.5 376 63.546 0.000346239 -3.28362 63.546000 Cu 0.379774 0.43533 0.5 389 63.546 0.00245012 -3.28313 63.546000 Cu 0.498208 0.430337 1.56827e-16 391 63.546 0.00172964 -3.28244 63.546000 Cu 0.645284 0.445171 2.18531e-16 392 63.546 0.00476308 -3.28174 63.546000 Cu 0.61592 0.425467 0.5 393 63.546 0.0025232 -3.28187 63.546000 Cu 0.527797 0.449672 0.5 394 63.546 0.0175564 -3.28156 63.546000 Cu 0.879774 0.43533 2.58991e-17 363 63.546 0.00245012 -3.28313 63.546000 Cu 0.850593 0.415847 0.5 364 63.546 0.000905436 -3.2839 63.546000 Cu 0.96842 0.410922 5.96752e-19 365 63.546 0.000346239 -3.28362 63.546000 Cu 0.998208 0.430337 0.5 368 63.546 0.00172964 -3.28244 63.546000 Cu 0.732989 0.420691 1.18754e-16 395 63.546 0.000498298 -3.28258 63.546000 Cu 0.762005 0.440331 0.5 396 63.546 0.0048473 -3.28316 63.546000 Cu 0.173404 0.46507 1.18157e-16 384 63.546 0.0437999 -3.28739 63.546000 Cu 0.0563051 0.469338 0.5 386 63.546 0.0558031 -3.28416 63.546000 Cu 0.291763 0.459941 0.5 390 63.546 0.0174112 -3.28559 63.546000 Cu 0.0839285 0.490225 1.20186e-16 399 63.546 0.495726 -3.17864 63.546000 Cu 0.198719 0.484252 0.5 400 63.546 0.479088 -3.22373 63.546000 Cu 0.323946 0.479266 2.52188e-16 401 63.546 0.106003 -3.28817 63.546000 Cu 0.409718 0.454639 1.78548e-16 388 63.546 0.00781557 -3.27967 63.546000 Cu 0.476492 0.494007 8.6171e-17 402 63.546 0.834341 -3.2262 63.546000 Cu 0.441648 0.47403 0.5 403 63.546 0.0738832 -3.27986 63.546000 Cu 0.556305 0.469338 2.24976e-16 405 63.546 0.0558031 -3.28416 63.546000 Cu 0.583929 0.490225 0.5 408 63.546 0.495726 -3.17864 63.546000 Cu 0.351168 0.49792 0.5 404 63.546 2.79389 -3.18153 63.546000 Cu 0.673404 0.46507 0.5 407 63.546 0.0437999 -3.28739 63.546000 Cu 0.823946 0.479266 0.5 1 63.546 0.106003 -3.28817 63.546000 Cu 0.791763 0.459941 1.1768e-16 8 63.546 0.0174112 -3.28559 63.546000 Cu 0.941648 0.47403 1 381 63.546 0.0738832 -3.27986 63.546000 Cu 0.909718 0.454639 0.5 382 63.546 0.00781557 -3.27967 63.546000 Cu 0.976492 0.494007 0.5 398 63.546 0.834341 -3.2262 63.546000 Cu 0.698719 0.484252 1.9669e-16 406 63.546 0.479088 -3.22373 63.546000 Cu 0.851168 0.49792 1 397 63.546 2.79389 -3.18153 63.546000 Cu 0.116709 0.514703 0.5 5 63.546 7.35375 -3.14811 63.546000 Cu 0.227401 0.501933 2.58991e-17 6 63.546 9.22075 -2.99072 63.546000 Cu 0.227774 0.527457 1.31286e-18 7 63.546 9.18539 -2.9897 63.546000 Cu 0.0844373 0.539182 1 21 63.546 0.493694 -3.17935 63.546000 Cu 0.199324 0.545132 0.5 24 63.546 0.476954 -3.22278 63.546000 Cu 0.374775 0.514708 2.39298e-16 9 63.546 7.62593 -3.01467 63.546000 Cu 0.476851 0.535408 1.20902e-16 10 63.546 0.829995 -3.22823 63.546000 Cu 0.495106 0.514712 0.5 11 63.546 2.92917 -3.27182 63.546000 Cu 0.351559 0.531511 0.5 12 63.546 2.78625 -3.1816 63.546000 Cu 0.616709 0.514703 0 13 63.546 7.35375 -3.14811 63.546000 Cu 0.584437 0.539182 0.5 16 63.546 0.493694 -3.17935 63.546000 Cu 0.995106 0.514712 2.98376e-18 3 63.546 2.92917 -3.27182 63.546000 Cu 0.976851 0.535408 0.5 19 63.546 0.829995 -3.22823 63.546000 Cu 0.727401 0.501933 0.5 2 63.546 9.22075 -2.99072 63.546000 Cu 0.874775 0.514708 0.5 4 63.546 7.62593 -3.01467 63.546000 Cu 0.699324 0.545132 1.43221e-18 14 63.546 0.476954 -3.22278 63.546000 Cu 0.727774 0.527457 0.5 15 63.546 9.18539 -2.9897 63.546000 Cu 0.851559 0.531511 1 17 63.546 2.78625 -3.1816 63.546000 Cu 0.0572107 0.560049 0.5 22 63.546 0.0557041 -3.28411 63.546000 Cu 0.174295 0.564314 1.1935e-18 23 63.546 0.0425827 -3.28742 63.546000 Cu 0.292751 0.569422 0.5 28 63.546 0.0173585 -3.28566 63.546000 Cu 0.029056 0.579678 1.83561e-16 37 63.546 0.0174885 -3.28113 63.546000 Cu 0.146591 0.58419 0.5 40 63.546 0.00390423 -3.28187 63.546000 Cu 0.263509 0.588991 7.24457e-17 41 63.546 0.00490871 -3.28323 63.546000 Cu 0.324499 0.550141 3.58051e-19 25 63.546 0.0978504 -3.28851 63.546000 Cu 0.41094 0.574709 8.5813e-17 26 63.546 0.00697899 -3.27933 63.546000 Cu 0.44242 0.55536 0.5 27 63.546 0.074643 -3.28014 63.546000 Cu 0.557211 0.560049 2.41088e-16 29 63.546 0.0557041 -3.28411 63.546000 Cu 0.529056 0.579678 0.5 32 63.546 0.0174885 -3.28113 63.546000 Cu 0.646591 0.58419 2.58991e-17 30 63.546 0.00390423 -3.28187 63.546000 Cu 0.94242 0.55536 1.21499e-16 18 63.546 0.074643 -3.28014 63.546000 Cu 0.824499 0.550141 0.5 20 63.546 0.0978504 -3.28851 63.546000 Cu 0.674295 0.564314 0.5 31 63.546 0.0425827 -3.28742 63.546000 Cu 0.792751 0.569422 1.20186e-16 33 63.546 0.0173585 -3.28566 63.546000 Cu 0.91094 0.574709 0.5 35 63.546 0.00697899 -3.27933 63.546000 Cu 0.763509 0.588991 0.5 36 63.546 0.00490871 -3.28323 63.546000 Cu 0.117653 0.603842 7.92487e-17 38 63.546 0.00236007 -3.28197 63.546000 Cu 0.234988 0.608588 0.5 44 63.546 0.000420632 -3.28253 63.546000 Cu 0.088476 0.623301 0.5 55 63.546 0.000544875 -3.28263 63.546000 Cu 0.206227 0.628132 1.62913e-16 57 63.546 0.000269112 -3.28258 63.546000 Cu 0.323789 0.632954 0.5 59 63.546 0.000127558 -3.28307 63.546000 Cu 0.352602 0.613437 2.68539e-16 42 63.546 0.000844748 -3.28369 63.546000 Cu 0.381397 0.593983 0.5 43 63.546 0.00228727 -3.28297 63.546000 Cu 0.4998 0.598974 1.02522e-16 45 63.546 0.00145995 -3.28236 63.546000 Cu 0.588476 0.623301 2.26766e-18 46 63.546 0.000544875 -3.28263 63.546000 Cu 0.617653 0.603842 0.5 47 63.546 0.00236007 -3.28197 63.546000 Cu 0.470508 0.618368 0.5 48 63.546 0.000188765 -3.28356 63.546000 Cu 0.9998 0.598974 0.5 39 63.546 0.00145995 -3.28236 63.546000 Cu 0.970508 0.618368 2.58991e-17 53 63.546 0.000188765 -3.28356 63.546000 Cu 0.881397 0.593983 2.39656e-16 34 63.546 0.00228727 -3.28297 63.546000 Cu 0.734988 0.608588 7.47134e-17 49 63.546 0.000420632 -3.28253 63.546000 Cu 0.823789 0.632954 1.90961e-18 50 63.546 0.000127558 -3.28307 63.546000 Cu 0.852602 0.613437 0.5 51 63.546 0.000844748 -3.28369 63.546000 Cu 0.706227 0.628132 0.5 52 63.546 0.000269112 -3.28258 63.546000 Cu 0.0593896 0.642728 1.67091e-18 54 63.546 8.41954e-05 -3.28306 63.546000 Cu 0.294784 0.652468 1.20425e-16 58 63.546 2.85019e-05 -3.28298 63.546000 Cu 0.177119 0.647621 0.5 60 63.546 0.000134159 -3.28284 63.546000 Cu 0.000968893 0.681697 2.06954e-16 70 63.546 2.15342e-05 -3.28324 63.546000 Cu 0.030202 0.662198 0.5 71 63.546 5.01607e-05 -3.28323 63.546000 Cu 0.147884 0.667093 2.93363e-16 74 63.546 2.1654e-05 -3.28307 63.546000 Cu 0.265659 0.671964 0.5 76 63.546 4.32435e-05 -3.28302 63.546000 Cu 0.441498 0.637826 1.74968e-16 61 63.546 0.000182153 -3.2833 63.546000 Cu 0.530202 0.662198 4.57112e-17 62 63.546 5.01607e-05 -3.28323 63.546000 Cu 0.55939 0.642728 0.5 63 63.546 8.41954e-05 -3.28306 63.546000 Cu 0.412477 0.657314 0.5 64 63.546 9.53788e-05 -3.28322 63.546000 Cu 0.383287 0.676829 9.11838e-17 77 63.546 6.27334e-06 -3.28313 63.546000 Cu 0.500969 0.681697 0.5 79 63.546 2.15342e-05 -3.28324 63.546000 Cu 0.647884 0.667093 0.5 68 63.546 2.1654e-05 -3.28307 63.546000 Cu 0.941498 0.637826 0.5 56 63.546 0.000182153 -3.2833 63.546000 Cu 0.677119 0.647621 1 65 63.546 0.000134159 -3.28284 63.546000 Cu 0.765659 0.671964 4.77402e-19 66 63.546 4.32435e-05 -3.28302 63.546000 Cu 0.794784 0.652468 0.5 67 63.546 2.85019e-05 -3.28298 63.546000 Cu 0.912477 0.657314 1 69 63.546 9.53788e-05 -3.28322 63.546000 Cu 0.883287 0.676829 0.5 72 63.546 6.27334e-06 -3.28313 63.546000 Cu 0.118711 0.686576 0.5 73 63.546 1.75115e-05 -3.28316 63.546000 Cu 0.236419 0.691458 1 75 63.546 6.88431e-06 -3.28302 63.546000 Cu 0.0895114 0.706084 3.53277e-17 89 63.546 1.21999e-05 -3.28312 63.546000 Cu 0.0601824 0.725595 0.5 90 63.546 1.11766e-05 -3.28309 63.546000 Cu 0.207174 0.710963 0.5 92 63.546 6.91639e-06 -3.2831 63.546000 Cu 0.324871 0.715833 1 93 63.546 2.23652e-05 -3.28312 63.546000 Cu 0.471847 0.701205 1.1935e-18 78 63.546 3.1579e-05 -3.28311 63.546000 Cu 0.354061 0.696336 0.5 80 63.546 1.78701e-05 -3.28304 63.546000 Cu 0.618711 0.686576 1.20663e-16 81 63.546 1.75115e-05 -3.28316 63.546000 Cu 0.589511 0.706084 0.5 84 63.546 1.21999e-05 -3.28312 63.546000 Cu 0.442597 0.720709 0.5 95 63.546 5.03762e-05 -3.28309 63.546000 Cu 0.560182 0.725595 1.55156e-18 97 63.546 1.11766e-05 -3.28309 63.546000 Cu 0.971847 0.701205 0.5 87 63.546 3.1579e-05 -3.28311 63.546000 Cu 0.707174 0.710963 1.20783e-16 82 63.546 6.91639e-06 -3.2831 63.546000 Cu 0.736419 0.691458 0.5 83 63.546 6.88431e-06 -3.28302 63.546000 Cu 0.854061 0.696336 1.76519e-16 85 63.546 1.78701e-05 -3.28304 63.546000 Cu 0.942597 0.720709 2.28198e-16 86 63.546 5.03762e-05 -3.28309 63.546000 Cu 0.824871 0.715833 0.5 88 63.546 2.23652e-05 -3.28312 63.546000 Cu 0.177912 0.730473 1 91 63.546 1.26299e-05 -3.28313 63.546000 Cu 0.29555 0.735346 0.5 96 63.546 6.3016e-06 -3.28311 63.546000 Cu 0.0308751 0.745105 8.11583e-18 105 63.546 6.69186e-06 -3.28314 63.546000 Cu 0.119241 0.769515 1.94064e-16 106 63.546 6.62549e-06 -3.28315 63.546000 Cu 0.00158175 0.764625 0.5 107 63.546 9.08014e-06 -3.2831 63.546000 Cu 0.148567 0.749988 0.5 108 63.546 6.84885e-06 -3.28312 63.546000 Cu 0.266193 0.754864 1.79026e-18 109 63.546 1.87879e-05 -3.28307 63.546000 Cu 0.413192 0.74023 1 94 63.546 7.74126e-06 -3.28313 63.546000 Cu 0.530875 0.745105 0.5 100 63.546 6.69186e-06 -3.28314 63.546000 Cu 0.383885 0.759746 0.5 111 63.546 3.44401e-06 -3.28309 63.546000 Cu 0.501582 0.764625 1 113 63.546 9.08014e-06 -3.2831 63.546000 Cu 0.619241 0.769515 0.5 115 63.546 6.62549e-06 -3.28315 63.546000 Cu 0.648567 0.749988 1 98 63.546 6.84885e-06 -3.28312 63.546000 Cu 0.677912 0.730473 0.5 99 63.546 1.26299e-05 -3.28313 63.546000 Cu 0.79555 0.735346 1 101 63.546 6.3016e-06 -3.28311 63.546000 Cu 0.883885 0.759746 1 102 63.546 3.44401e-06 -3.28309 63.546000 Cu 0.913192 0.74023 0.5 103 63.546 7.74126e-06 -3.28313 63.546000 Cu 0.766193 0.754864 0.5 104 63.546 1.87879e-05 -3.28307 63.546000 Cu 0.236949 0.774395 0.5 112 63.546 1.95868e-05 -3.28316 63.546000 Cu 0.0604751 0.808556 1 122 63.546 7.97286e-06 -3.28317 63.546000 Cu 0.0898798 0.789036 0.5 123 63.546 2.79672e-06 -3.28312 63.546000 Cu 0.207574 0.793922 3.23678e-16 125 63.546 1.87429e-05 -3.28313 63.546000 Cu 0.178105 0.813443 0.5 128 63.546 3.63775e-06 -3.28309 63.546000 Cu 0.325185 0.798807 0.5 127 63.546 1.32261e-05 -3.28312 63.546000 Cu 0.354595 0.779272 2.40252e-16 110 63.546 1.62328e-05 -3.28311 63.546000 Cu 0.58988 0.789036 1 114 63.546 2.79672e-06 -3.28312 63.546000 Cu 0.472221 0.784149 0.5 116 63.546 9.90698e-06 -3.28307 63.546000 Cu 0.442814 0.803676 1.1935e-19 129 63.546 7.6444e-06 -3.28317 63.546000 Cu 0.560475 0.808556 0.5 131 63.546 7.97286e-06 -3.28317 63.546000 Cu 0.972221 0.784149 9.75093e-17 121 63.546 9.90698e-06 -3.28307 63.546000 Cu 0.736949 0.774395 2.38701e-18 117 63.546 1.95868e-05 -3.28316 63.546000 Cu 0.825185 0.798807 1 118 63.546 1.32261e-05 -3.28312 63.546000 Cu 0.854595 0.779272 0.5 119 63.546 1.62328e-05 -3.28311 63.546000 Cu 0.707574 0.793922 0.5 120 63.546 1.87429e-05 -3.28313 63.546000 Cu 0.942814 0.803676 0.5 124 63.546 7.6444e-06 -3.28317 63.546000 Cu 0.678105 0.813443 1 133 63.546 3.63775e-06 -3.28309 63.546000 Cu 0.295732 0.818331 6.07494e-17 126 63.546 1.18868e-05 -3.28306 63.546000 Cu 0.00165335 0.84761 1 138 63.546 8.22447e-06 -3.28318 63.546000 Cu 0.0310379 0.828085 0.5 139 63.546 3.6299e-06 -3.28317 63.546000 Cu 0.119288 0.852488 0.5 141 63.546 9.53837e-06 -3.28312 63.546000 Cu 0.148715 0.832967 1 142 63.546 6.13776e-06 -3.28305 63.546000 Cu 0.236924 0.857357 5.96752e-19 143 63.546 3.07584e-05 -3.28303 63.546000 Cu 0.266358 0.837846 0.5 144 63.546 6.2459e-06 -3.28296 63.546000 Cu 0.531038 0.828085 1 130 63.546 3.6299e-06 -3.28317 63.546000 Cu 0.413362 0.823213 0.5 132 63.546 1.95269e-05 -3.28315 63.546000 Cu 0.383968 0.842732 1 145 63.546 1.18365e-05 -3.28305 63.546000 Cu 0.501653 0.84761 0.5 147 63.546 8.22447e-06 -3.28318 63.546000 Cu 0.354575 0.862237 0.5 148 63.546 2.27697e-05 -3.2831 63.546000 Cu 0.619288 0.852488 1 149 63.546 9.53837e-06 -3.28312 63.546000 Cu 0.648715 0.832967 0.5 136 63.546 6.13776e-06 -3.28305 63.546000 Cu 0.766358 0.837846 2.98376e-18 134 63.546 6.2459e-06 -3.28296 63.546000 Cu 0.795732 0.818331 0.5 135 63.546 1.18868e-05 -3.28306 63.546000 Cu 0.913362 0.823213 2.26766e-18 137 63.546 1.95269e-05 -3.28315 63.546000 Cu 0.883968 0.842732 0.5 140 63.546 1.18365e-05 -3.28305 63.546000 Cu 0.736924 0.857357 0.5 151 63.546 3.07584e-05 -3.28303 63.546000 Cu 0.854575 0.862237 1.22812e-16 153 63.546 2.27697e-05 -3.2831 63.546000 Cu 0.0898898 0.872029 2.58991e-17 157 63.546 6.27767e-05 -3.28318 63.546000 Cu 0.0605149 0.891555 0.5 158 63.546 0.000193848 -3.28341 63.546000 Cu 0.178057 0.896436 2.3894e-16 159 63.546 0.000132776 -3.28317 63.546000 Cu 0.207473 0.87689 0.5 160 63.546 1.8634e-05 -3.28299 63.546000 Cu 0.295585 0.90126 0.5 164 63.546 0.000296469 -3.28265 63.546000 Cu 0.32505 0.881747 5.96752e-19 161 63.546 9.09131e-05 -3.28296 63.546000 Cu 0.472251 0.867138 1 146 63.546 4.31479e-05 -3.28326 63.546000 Cu 0.58989 0.872029 0.5 152 63.546 6.27767e-05 -3.28318 63.546000 Cu 0.413241 0.906111 1.40356e-16 162 63.546 0.000475728 -3.28263 63.546000 Cu 0.44274 0.886635 0.5 163 63.546 3.85271e-05 -3.2832 63.546000 Cu 0.560515 0.891555 1 165 63.546 0.000193848 -3.28341 63.546000 Cu 0.972251 0.867138 0.5 155 63.546 4.31479e-05 -3.28326 63.546000 Cu 0.707473 0.87689 1 150 63.546 1.8634e-05 -3.28299 63.546000 Cu 0.94274 0.886635 1 154 63.546 3.85271e-05 -3.2832 63.546000 Cu 0.82505 0.881747 0.5 156 63.546 9.09131e-05 -3.28296 63.546000 Cu 0.678057 0.896436 0.5 167 63.546 0.000132776 -3.28317 63.546000 Cu 0.795585 0.90126 3.36568e-17 169 63.546 0.000296469 -3.28265 63.546000 Cu 0.913241 0.906111 0.5 171 63.546 0.000475728 -3.28263 63.546000 Cu 0.0309773 0.911063 9.04677e-17 173 63.546 0.000370433 -3.28361 63.546000 Cu 0.119726 0.935463 8.47388e-17 174 63.546 0.00238213 -3.28309 63.546000 Cu 0.00129372 0.930466 0.5 175 63.546 0.00181879 -3.28236 63.546000 Cu 0.148906 0.915995 0.5 176 63.546 0.00112571 -3.2839 63.546000 Cu 0.266462 0.920833 2.71642e-16 177 63.546 0.000451271 -3.28253 63.546000 Cu 0.237523 0.940474 0.5 180 63.546 0.00524525 -3.28319 63.546000 Cu 0.530977 0.911063 0.5 168 63.546 0.000370433 -3.28361 63.546000 Cu 0.354292 0.945295 2.33927e-16 178 63.546 0.00462138 -3.28179 63.546000 Cu 0.38353 0.925604 0.5 179 63.546 0.00267828 -3.28183 63.546000 Cu 0.501294 0.930466 4.72628e-17 181 63.546 0.00181879 -3.28236 63.546000 Cu 0.619726 0.935463 0.5 183 63.546 0.00238213 -3.28309 63.546000 Cu 0.471769 0.949795 0.5 184 63.546 0.0179702 -3.28147 63.546000 Cu 0.648906 0.915995 1.24124e-16 166 63.546 0.00112571 -3.2839 63.546000 Cu 0.971769 0.949795 1.53962e-16 189 63.546 0.0179702 -3.28147 63.546000 Cu 0.88353 0.925604 2.58991e-17 170 63.546 0.00267828 -3.28183 63.546000 Cu 0.766462 0.920833 0.5 172 63.546 0.000451271 -3.28253 63.546000 Cu 0.737523 0.940474 3.09118e-17 185 63.546 0.00524525 -3.28319 63.546000 Cu 0.854292 0.945295 0.5 187 63.546 0.00462138 -3.28179 63.546000 Cu 0.14882 0.998018 1.77355e-16 208 63.546 2.76815 -3.18175 63.546000 Cu 0.0581519 0.974146 1 190 63.546 0.0749828 -3.27998 63.546000 Cu 0.0898255 0.954759 0.5 191 63.546 0.00748291 -3.27958 63.546000 Cu 0.207909 0.960064 1.19709e-16 193 63.546 0.0175998 -3.28557 63.546000 Cu 0.301217 0.98436 2.18531e-16 194 63.546 0.479929 -3.22281 63.546000 Cu 0.175891 0.979372 0.5 196 63.546 0.105373 -3.28835 63.546000 Cu 0.0235331 0.994138 0.5 204 63.546 0.836322 -3.22773 63.546000 Cu 0.326356 0.965191 0.5 195 63.546 0.0447418 -3.28728 63.546000 Cu 0.64882 0.998018 0.5 225 63.546 2.76815 -3.18175 63.546000 Cu 0.589825 0.954759 3.00763e-17 182 63.546 0.00748291 -3.27958 63.546000 Cu 0.443465 0.969458 3.31675e-16 197 63.546 0.0554669 -3.28405 63.546000 Cu 0.523533 0.994138 2.03373e-16 198 63.546 0.836322 -3.22773 63.546000 Cu 0.558152 0.974146 0.5 199 63.546 0.0749828 -3.27998 63.546000 Cu 0.416105 0.990345 0.5 200 63.546 0.495637 -3.17897 63.546000 Cu 0.826356 0.965191 1.81293e-16 186 63.546 0.0447418 -3.28728 63.546000 Cu 0.707909 0.960064 0.5 188 63.546 0.0175998 -3.28557 63.546000 Cu 0.943465 0.969458 0.5 192 63.546 0.0554669 -3.28405 63.546000 Cu 0.675891 0.979372 3.44803e-16 201 63.546 0.105373 -3.28835 63.546000 Cu 0.801217 0.98436 0.5 202 63.546 0.479929 -3.22281 63.546000 Cu 0.916105 0.990345 1.41311e-16 203 63.546 0.495637 -3.17897