Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.3825 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 73.7375 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61289 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 0.0363538 0.0184874 1.21298e-16 211 63.546 0.116127 -3.54213 63.546000 Cu 0.135328 0.0140569 0.5 214 63.546 0.061544 -3.52815 63.546000 Cu 0.0592219 0.0424838 0.5 219 63.546 0.0059855 -3.5388 63.546000 Cu 0.156442 0.0372684 0 221 63.546 0.0284066 -3.54781 63.546000 Cu 0.237487 0.00866112 2.83108e-16 213 63.546 0.798977 -3.46254 63.546000 Cu 0.331677 0.00219924 0.5 216 63.546 0.909507 -3.41443 63.546000 Cu 0.254103 0.0322993 0.5 223 63.546 0.0411073 -3.54528 63.546000 Cu 0.349617 0.0276363 1 225 63.546 0.0631171 -3.51662 63.546000 Cu 0.463555 0.0475914 1.44045e-18 226 63.546 0.0172603 -3.53251 63.546000 Cu 0.441531 0.0233924 0.5 227 63.546 0.107229 -3.50613 63.546000 Cu 0.367902 0.052238 0.5 228 63.546 0.0115952 -3.53372 63.546000 Cu 0.536339 0.018509 1.14035e-18 229 63.546 0.116355 -3.5422 63.546000 Cu 0.65643 0.0372812 1 230 63.546 0.0280585 -3.54779 63.546000 Cu 0.635344 0.0140742 0.5 231 63.546 0.0612161 -3.52818 63.546000 Cu 0.559179 0.0425015 0.5 232 63.546 0.00608271 -3.53889 63.546000 Cu 0.737514 0.00867077 1 233 63.546 0.805133 -3.4623 63.546000 Cu 0.941576 0.0233769 0.5 212 63.546 0.106903 -3.50599 63.546000 Cu 0.96362 0.0475718 2.28131e-16 217 63.546 0.0170454 -3.53246 63.546000 Cu 0.849656 0.0276304 9.93307e-17 234 63.546 0.0638177 -3.5166 63.546000 Cu 0.831705 0.00220206 0.5 235 63.546 0.918176 -3.4138 63.546000 Cu 0.754123 0.0323034 0.5 236 63.546 0.0408389 -3.54524 63.546000 Cu 0.867959 0.052222 0.5 256 63.546 0.0114269 -3.53375 63.546000 Cu 0.0807544 0.0664336 0 218 63.546 0.00298431 -3.54073 63.546000 Cu 0.176687 0.0613542 0.5 224 63.546 0.00771046 -3.54368 63.546000 Cu 0.00478057 0.0954753 3.5411e-17 238 63.546 0.000450976 -3.54084 63.546000 Cu 0.100963 0.0905359 0.5 240 63.546 0.00162337 -3.54109 63.546000 Cu 0.196715 0.0856858 1 242 63.546 0.000860288 -3.53991 63.546000 Cu 0.27244 0.056616 1 222 63.546 0.00437235 -3.54242 63.546000 Cu 0.2921 0.080998 0.5 244 63.546 0.00165977 -3.53846 63.546000 Cu 0.387946 0.0763558 6.60204e-19 246 63.546 0.00326277 -3.5386 63.546000 Cu 0.40846 0.100405 0.5 249 63.546 0.000463905 -3.53995 63.546000 Cu 0.484288 0.0715335 0.5 248 63.546 0.00173546 -3.5388 63.546000 Cu 0.312419 0.105222 2.44216e-16 243 63.546 0.000908098 -3.53885 63.546000 Cu 0.504714 0.0954969 1 247 63.546 0.000380266 -3.54088 63.546000 Cu 0.580692 0.0664471 7.80241e-19 250 63.546 0.00277382 -3.54076 63.546000 Cu 0.696701 0.0856753 2.00462e-17 251 63.546 0.000877723 -3.53997 63.546000 Cu 0.676659 0.0613574 0.5 252 63.546 0.00756311 -3.54373 63.546000 Cu 0.600913 0.0905418 0.5 253 63.546 0.00149738 -3.54112 63.546000 Cu 0.984363 0.0715124 0.5 220 63.546 0.00168977 -3.53877 63.546000 Cu 0.772461 0.0566083 1 254 63.546 0.00440233 -3.54249 63.546000 Cu 0.888005 0.0763315 0 255 63.546 0.00308201 -3.53858 63.546000 Cu 0.792128 0.0809764 0.5 257 63.546 0.00162931 -3.53849 63.546000 Cu 0.908524 0.100372 0.5 277 63.546 0.000384363 -3.53989 63.546000 Cu 0.812466 0.105188 8.18053e-17 276 63.546 0.000794056 -3.53884 63.546000 Cu 0.121027 0.114744 7.65237e-17 239 63.546 0.000265474 -3.54039 63.546000 Cu 0.0250705 0.119574 0.5 241 63.546 0.000369166 -3.54091 63.546000 Cu 0.216746 0.109972 0.5 245 63.546 0.00018492 -3.53892 63.546000 Cu 0.0452827 0.143749 6.82411e-17 260 63.546 7.71837e-05 -3.5404 63.546000 Cu 0.141117 0.138952 0.5 262 63.546 6.25305e-05 -3.53972 63.546000 Cu 0.236936 0.134172 1 264 63.546 0.000284917 -3.5392 63.546000 Cu 0.35335 0.153473 1 265 63.546 7.2956e-05 -3.54 63.546000 Cu 0.332863 0.129355 0.5 266 63.546 0.000167172 -3.53956 63.546000 Cu 0.428924 0.124482 1.00951e-16 268 63.546 7.0297e-05 -3.54043 63.546000 Cu 0.449309 0.148617 0.5 271 63.546 5.46114e-05 -3.54053 63.546000 Cu 0.545272 0.143752 9.00279e-18 269 63.546 6.76575e-05 -3.54044 63.546000 Cu 0.525024 0.11959 0.5 270 63.546 0.000297373 -3.54096 63.546000 Cu 0.621013 0.114738 3.07295e-17 272 63.546 0.000263319 -3.54044 63.546000 Cu 0.71676 0.109948 0.5 274 63.546 0.00017721 -3.53896 63.546000 Cu 0.64114 0.138933 0.5 275 63.546 6.37389e-05 -3.53974 63.546000 Cu 0.736992 0.134135 1.74774e-16 273 63.546 0.000213009 -3.53922 63.546000 Cu 0.92899 0.124449 0 237 63.546 0.000102146 -3.5404 63.546000 Cu 0.94936 0.148593 0.5 259 63.546 8.45553e-05 -3.5405 63.546000 Cu 0.832931 0.129314 0.5 278 63.546 9.9223e-05 -3.53955 63.546000 Cu 0.853425 0.153433 2.44216e-16 297 63.546 9.82501e-05 -3.53998 63.546000 Cu 0.161411 0.163126 1.44645e-16 261 63.546 4.46826e-05 -3.53975 63.546000 Cu 0.065476 0.167945 0.5 263 63.546 4.78988e-05 -3.53998 63.546000 Cu 0.0858085 0.192104 1 281 63.546 1.25641e-05 -3.53978 63.546000 Cu 0.181774 0.187271 0.5 283 63.546 3.74709e-05 -3.53983 63.546000 Cu 0.257368 0.158304 0.5 267 63.546 2.03185e-05 -3.53956 63.546000 Cu 0.277689 0.182443 1.22138e-16 285 63.546 2.578e-05 -3.53982 63.546000 Cu 0.39385 0.201768 0 286 63.546 4.10375e-05 -3.54003 63.546000 Cu 0.373602 0.177625 0.5 287 63.546 2.21034e-05 -3.54003 63.546000 Cu 0.297918 0.206612 0.5 288 63.546 3.379e-05 -3.5401 63.546000 Cu 0.469579 0.172778 8.24655e-17 289 63.546 1.8551e-05 -3.54014 63.546000 Cu 0.489843 0.196912 0.5 292 63.546 1.07584e-05 -3.5399 63.546000 Cu 0.585864 0.192071 5.4797e-17 290 63.546 1.11748e-05 -3.53983 63.546000 Cu 0.565501 0.167929 0.5 291 63.546 4.09574e-05 -3.54002 63.546000 Cu 0.661475 0.16309 6.00186e-20 293 63.546 2.4195e-05 -3.53975 63.546000 Cu 0.68186 0.187225 0.5 296 63.546 6.23145e-05 -3.53984 63.546000 Cu 0.989834 0.196922 0.5 280 63.546 8.42949e-06 -3.53982 63.546000 Cu 0.96961 0.172769 1.22138e-16 258 63.546 1.80348e-05 -3.54009 63.546000 Cu 0.777781 0.182397 1.9398e-16 294 63.546 5.66185e-05 -3.53977 63.546000 Cu 0.75745 0.158261 0.5 295 63.546 2.06688e-05 -3.53955 63.546000 Cu 0.873668 0.177595 0.5 298 63.546 1.39349e-05 -3.53998 63.546000 Cu 0.798013 0.206571 0.5 317 63.546 1.02508e-05 -3.54002 63.546000 Cu 0.893902 0.201749 1.46925e-16 319 63.546 2.41528e-05 -3.53994 63.546000 Cu 0.0101284 0.221081 6.01986e-17 279 63.546 5.51585e-06 -3.54 63.546000 Cu 0.201976 0.211432 1.20037e-19 282 63.546 1.18901e-05 -3.54014 63.546000 Cu 0.106045 0.21625 0.5 284 63.546 1.62051e-05 -3.54008 63.546000 Cu 0.030424 0.245245 0.5 301 63.546 1.06707e-05 -3.53996 63.546000 Cu 0.126328 0.240417 1 303 63.546 1.6976e-05 -3.53989 63.546000 Cu 0.222271 0.235599 0.5 305 63.546 2.80735e-05 -3.53991 63.546000 Cu 0.2426 0.259735 1.21958e-16 304 63.546 3.18918e-05 -3.53987 63.546000 Cu 0.318247 0.23077 3.94322e-17 307 63.546 4.03158e-05 -3.54002 63.546000 Cu 0.434552 0.250053 1 308 63.546 1.69746e-05 -3.54022 63.546000 Cu 0.414236 0.225914 0.5 309 63.546 9.64911e-06 -3.54009 63.546000 Cu 0.338561 0.254904 0.5 310 63.546 2.59105e-05 -3.5401 63.546000 Cu 0.510178 0.221055 6.8001e-17 311 63.546 7.12045e-06 -3.5401 63.546000 Cu 0.626453 0.240363 1.21958e-16 312 63.546 2.02432e-05 -3.5399 63.546000 Cu 0.60614 0.216204 0.5 313 63.546 3.75458e-05 -3.54015 63.546000 Cu 0.530515 0.2452 0.5 314 63.546 1.29719e-05 -3.53999 63.546000 Cu 0.702092 0.21138 0 315 63.546 2.42893e-05 -3.54013 63.546000 Cu 0.722401 0.235549 0.5 318 63.546 1.1259e-05 -3.53987 63.546000 Cu 0.74271 0.259696 1.00831e-17 337 63.546 4.73232e-05 -3.53976 63.546000 Cu 0.934531 0.250074 1 299 63.546 1.8087e-05 -3.54013 63.546000 Cu 0.818327 0.230742 1 316 63.546 2.19224e-05 -3.53991 63.546000 Cu 0.914248 0.225915 0.5 320 63.546 8.76102e-06 -3.53998 63.546000 Cu 0.838612 0.254894 0.5 339 63.546 2.6668e-05 -3.53998 63.546000 Cu 0.0507422 0.269386 1.33241e-17 300 63.546 5.12203e-05 -3.53994 63.546000 Cu 0.146659 0.264558 0.5 306 63.546 3.27106e-05 -3.53976 63.546000 Cu 0.070909 0.293532 0.5 323 63.546 1.91857e-05 -3.53999 63.546000 Cu 0.166853 0.28872 1.21778e-16 325 63.546 1.8076e-05 -3.53997 63.546000 Cu 0.186961 0.312867 0.5 328 63.546 4.20331e-05 -3.54003 63.546000 Cu 0.282967 0.308032 1.20877e-16 326 63.546 0.000100717 -3.54026 63.546000 Cu 0.262783 0.283894 0.5 327 63.546 4.66089e-05 -3.54012 63.546000 Cu 0.358742 0.279048 1.56528e-16 329 63.546 7.01151e-05 -3.54015 63.546000 Cu 0.475037 0.298284 6.54803e-17 330 63.546 7.27309e-05 -3.54001 63.546000 Cu 0.454799 0.274184 0.5 331 63.546 1.25726e-05 -3.54018 63.546000 Cu 0.379024 0.303155 0.5 332 63.546 6.15281e-06 -3.54018 63.546000 Cu 0.550864 0.269323 1 333 63.546 9.88516e-05 -3.53988 63.546000 Cu 0.66699 0.288661 0 334 63.546 3.25533e-05 -3.53984 63.546000 Cu 0.646795 0.264497 0.5 335 63.546 8.34181e-05 -3.53967 63.546000 Cu 0.571056 0.293454 0.5 336 63.546 0.000103884 -3.53991 63.546000 Cu 0.687054 0.312823 0.5 356 63.546 7.72606e-06 -3.5399 63.546000 Cu 0.954732 0.274232 0.5 302 63.546 2.86238e-05 -3.54014 63.546000 Cu 0.974907 0.298356 7.96446e-17 321 63.546 1.5114e-05 -3.54001 63.546000 Cu 0.858759 0.279062 0 338 63.546 5.51054e-05 -3.54006 63.546000 Cu 0.762867 0.283868 0.5 340 63.546 1.69982e-05 -3.54 63.546000 Cu 0.782981 0.308034 2.50638e-16 358 63.546 8.05658e-05 -3.54016 63.546000 Cu 0.878959 0.303199 0.5 360 63.546 1.51239e-05 -3.5401 63.546000 Cu 0.0910173 0.317678 2.76085e-16 322 63.546 4.9197e-06 -3.53984 63.546000 Cu 0.0151894 0.34662 1.70513e-16 342 63.546 8.98444e-05 -3.5395 63.546000 Cu 0.131005 0.365981 6.85412e-17 343 63.546 0.000370949 -3.54027 63.546000 Cu 0.111128 0.341832 0.5 344 63.546 8.45254e-05 -3.53992 63.546000 Cu 0.207101 0.337008 0 346 63.546 0.000157228 -3.54049 63.546000 Cu 0.227122 0.361119 0.5 349 63.546 0.000373007 -3.54084 63.546000 Cu 0.323308 0.356213 1.21057e-16 347 63.546 7.86857e-05 -3.54046 63.546000 Cu 0.303174 0.332137 0.5 348 63.546 5.80726e-05 -3.54058 63.546000 Cu 0.399316 0.327254 2.43255e-16 350 63.546 0.000116418 -3.54027 63.546000 Cu 0.419427 0.351339 0.5 353 63.546 0.00025386 -3.53971 63.546000 Cu 0.495311 0.322407 0.5 352 63.546 0.000162965 -3.53979 63.546000 Cu 0.515435 0.346533 4.2013e-19 351 63.546 0.000302363 -3.53935 63.546000 Cu 0.591179 0.317602 2.65282e-17 354 63.546 6.3525e-05 -3.53971 63.546000 Cu 0.707119 0.336999 2.62881e-17 355 63.546 0.000116141 -3.54033 63.546000 Cu 0.611279 0.341776 0.5 357 63.546 7.80854e-05 -3.53973 63.546000 Cu 0.631122 0.365967 0 376 63.546 0.000276654 -3.54005 63.546000 Cu 0.727048 0.361158 0.5 378 63.546 0.000391257 -3.5407 63.546000 Cu 0.995125 0.322494 0.5 324 63.546 5.99247e-05 -3.53989 63.546000 Cu 0.899142 0.327327 0 359 63.546 6.26834e-05 -3.5403 63.546000 Cu 0.803079 0.332174 0.5 361 63.546 7.44243e-05 -3.54053 63.546000 Cu 0.823097 0.356292 1.39543e-16 380 63.546 7.74733e-05 -3.54047 63.546000 Cu 0.919151 0.351434 0.5 381 63.546 6.22457e-05 -3.53981 63.546000 Cu 0.0350926 0.370769 0.5 345 63.546 0.000150926 -3.53923 63.546000 Cu 0.0548019 0.394998 1 364 63.546 0.00105077 -3.54041 63.546000 Cu 0.170723 0.414136 1 365 63.546 0.00256274 -3.54092 63.546000 Cu 0.150687 0.3901 0.5 366 63.546 0.00163444 -3.54114 63.546000 Cu 0.0744563 0.419259 0.5 367 63.546 0.00868919 -3.54432 63.546000 Cu 0.247021 0.385141 8.35458e-17 368 63.546 0.000424607 -3.54088 63.546000 Cu 0.363648 0.40424 1.12955e-16 369 63.546 0.004075 -3.53854 63.546000 Cu 0.343482 0.380237 0.5 370 63.546 0.000705119 -3.53987 63.546000 Cu 0.267251 0.409051 0.5 371 63.546 0.00206016 -3.53862 63.546000 Cu 0.439572 0.375437 2.33772e-16 372 63.546 0.00105631 -3.53887 63.546000 Cu 0.459542 0.399624 0.5 375 63.546 0.00207357 -3.53872 63.546000 Cu 0.555004 0.394976 2.82687e-16 373 63.546 0.000808293 -3.54019 63.546000 Cu 0.53535 0.370705 0.5 374 63.546 0.000306099 -3.53907 63.546000 Cu 0.650692 0.390149 0.5 379 63.546 0.00156245 -3.54094 63.546000 Cu 0.574509 0.419303 0.5 395 63.546 0.00834496 -3.5441 63.546000 Cu 0.670574 0.414259 1 397 63.546 0.00298052 -3.54101 63.546000 Cu 0.746818 0.38524 2.81787e-16 377 63.546 0.000585986 -3.54093 63.546000 Cu 0.939226 0.375539 1.21177e-16 341 63.546 0.000479245 -3.53903 63.546000 Cu 0.959229 0.399711 0.5 363 63.546 0.00140866 -3.53886 63.546000 Cu 0.843162 0.380354 0.5 382 63.546 0.000306666 -3.54003 63.546000 Cu 0.766945 0.409209 0.5 399 63.546 0.00127881 -3.53886 63.546000 Cu 0.863276 0.404378 2.16427e-16 401 63.546 0.00258402 -3.5387 63.546000 Cu 0.0134066 0.471792 1.19137e-16 383 63.546 0.704727 -3.46435 63.546000 Cu 0.0946255 0.44323 1 385 63.546 0.0260922 -3.5474 63.546000 Cu 0.214667 0.461958 1 386 63.546 0.115468 -3.54191 63.546000 Cu 0.192063 0.437994 0.5 387 63.546 0.00721153 -3.53811 63.546000 Cu 0.115875 0.466335 0.5 388 63.546 0.0666471 -3.52659 63.546000 Cu 0.287738 0.432961 1 389 63.546 0.0183139 -3.5321 63.546000 Cu 0.401226 0.452941 1 390 63.546 0.0639045 -3.51685 63.546000 Cu 0.383308 0.428345 0.5 391 63.546 0.011936 -3.53404 63.546000 Cu 0.309291 0.457178 0.5 392 63.546 0.103197 -3.50634 63.546000 Cu 0.478732 0.424 6.00186e-20 393 63.546 0.00392182 -3.54266 63.546000 Cu 0.49677 0.448313 0.5 396 63.546 0.0424936 -3.54503 63.546000 Cu 0.714164 0.462146 2.43495e-16 209 63.546 0.109127 -3.54246 63.546000 Cu 0.59443 0.443358 0 394 63.546 0.0270074 -3.54771 63.546000 Cu 0.691735 0.438189 0.5 400 63.546 0.00599898 -3.53876 63.546000 Cu 0.513145 0.471908 1 409 63.546 0.789595 -3.46237 63.546000 Cu 0.615293 0.466556 0.5 411 63.546 0.0606719 -3.52792 63.546000 Cu 0.996768 0.448316 0.5 384 63.546 0.0479524 -3.54485 63.546000 Cu 0.901101 0.453042 1 6 63.546 0.0647048 -3.51743 63.546000 Cu 0.809105 0.45734 0.5 202 63.546 0.0994966 -3.50713 63.546000 Cu 0.978535 0.424049 0 362 63.546 0.00442166 -3.5429 63.546000 Cu 0.787406 0.43314 2.8983e-16 398 63.546 0.0150592 -3.53237 63.546000 Cu 0.883027 0.428471 0.5 402 63.546 0.0105791 -3.53406 63.546000 Cu 0.0361172 0.525672 0.5 5 63.546 9.16765 -3.2881 63.546000 Cu 0.151885 0.509692 0.5 8 63.546 6.79087 -3.23548 63.546000 Cu 0.0338329 0.493844 0.5 404 63.546 9.29487 -3.29636 63.546000 Cu 0.131771 0.488972 1 405 63.546 3.81367 -3.4504 63.546000 Cu 0.237991 0.485279 0.5 406 63.546 0.605565 -3.49967 63.546000 Cu 0.248002 0.50964 0 9 63.546 1.10887 -3.51126 63.546000 Cu 0.349095 0.509555 0.5 11 63.546 2.18554 -3.52296 63.546000 Cu 0.449857 0.510695 0 13 63.546 8.5145 -3.47184 63.546000 Cu 0.332491 0.483447 7.20223e-19 407 63.546 0.554551 -3.46509 63.546000 Cu 0.418808 0.478375 0.5 408 63.546 0.900948 -3.41542 63.546000 Cu 0.651789 0.509819 0.5 2 63.546 6.7632 -3.23559 63.546000 Cu 0.536838 0.525976 0.5 15 63.546 9.01697 -3.28615 63.546000 Cu 0.737614 0.485411 0.5 198 63.546 0.603716 -3.49815 63.546000 Cu 0.631047 0.489189 1 410 63.546 3.89069 -3.44839 63.546000 Cu 0.532825 0.494123 0.5 412 63.546 9.40539 -3.30088 63.546000 Cu 0.747842 0.509724 1 1 63.546 1.09756 -3.5112 63.546000 Cu 0.918904 0.478499 0.5 3 63.546 0.774291 -3.42737 63.546000 Cu 0.848823 0.509612 0.5 4 63.546 2.12031 -3.52301 63.546000 Cu 0.8323 0.483519 1.2856e-16 207 63.546 0.493963 -3.47065 63.546000 Cu 0.949575 0.5098 1.00711e-16 403 63.546 8.15001 -3.47259 63.546000 Cu 0.134565 0.530538 0 7 63.546 3.62102 -3.44445 63.546000 Cu 0.240262 0.533896 0.5 12 63.546 0.585799 -3.5083 63.546000 Cu 0.0170127 0.54769 1 25 63.546 0.684266 -3.45756 63.546000 Cu 0.00170754 0.571076 0.5 26 63.546 0.053986 -3.54274 63.546000 Cu 0.100031 0.576147 0 27 63.546 0.0270764 -3.54677 63.546000 Cu 0.119922 0.553078 0.5 28 63.546 0.0708913 -3.52578 63.546000 Cu 0.219029 0.557318 3.33103e-17 29 63.546 0.126617 -3.54336 63.546000 Cu 0.335035 0.535652 1 10 63.546 0.473999 -3.48088 63.546000 Cu 0.42176 0.540783 0.5 16 63.546 0.672422 -3.4358 63.546000 Cu 0.313545 0.561942 0.5 31 63.546 0.0907016 -3.50834 63.546000 Cu 0.405521 0.566298 3.65753e-16 33 63.546 0.0782077 -3.51689 63.546000 Cu 0.517243 0.547842 1 14 63.546 0.618153 -3.45921 63.546000 Cu 0.635044 0.530752 1 17 63.546 3.56612 -3.4467 63.546000 Cu 0.719496 0.557488 1.50046e-18 18 63.546 0.134999 -3.54303 63.546000 Cu 0.740426 0.534019 0.5 19 63.546 0.58296 -3.50994 63.546000 Cu 0.620406 0.553297 0.5 20 63.546 0.078754 -3.52464 63.546000 Cu 0.501751 0.571122 0.5 35 63.546 0.0566543 -3.54258 63.546000 Cu 0.600294 0.576288 1 37 63.546 0.0261514 -3.54638 63.546000 Cu 0.835158 0.535682 8.38459e-17 21 63.546 0.522544 -3.47706 63.546000 Cu 0.905677 0.566337 1 22 63.546 0.0758224 -3.51591 63.546000 Cu 0.921659 0.540798 0.5 23 63.546 0.748716 -3.42579 63.546000 Cu 0.813803 0.562056 0.5 24 63.546 0.0940503 -3.5075 63.546000 Cu 0.197706 0.581314 0.5 32 63.546 0.00938375 -3.53868 63.546000 Cu 0.0628888 0.62436 1 47 63.546 0.00144156 -3.54044 63.546000 Cu 0.0811109 0.600084 0.5 48 63.546 0.0100809 -3.54401 63.546000 Cu 0.17757 0.605184 1.80056e-19 49 63.546 0.00291444 -3.54012 63.546000 Cu 0.158988 0.629217 0.5 52 63.546 0.00204167 -3.54069 63.546000 Cu 0.293392 0.586281 0 30 63.546 0.0184264 -3.53157 63.546000 Cu 0.484851 0.595298 1.22138e-16 34 63.546 0.00701636 -3.54327 63.546000 Cu 0.389048 0.590871 0.5 36 63.546 0.0087851 -3.53464 63.546000 Cu 0.274296 0.610229 0.5 51 63.546 0.00231897 -3.53814 63.546000 Cu 0.370837 0.615001 1 53 63.546 0.00294554 -3.53888 63.546000 Cu 0.466931 0.619632 0.5 55 63.546 0.000931737 -3.53957 63.546000 Cu 0.677812 0.605303 1 38 63.546 0.00255082 -3.54001 63.546000 Cu 0.698126 0.581489 0.5 39 63.546 0.0120096 -3.53824 63.546000 Cu 0.581176 0.600139 0.5 40 63.546 0.0101796 -3.54409 63.546000 Cu 0.562773 0.62435 1 57 63.546 0.00173308 -3.54059 63.546000 Cu 0.659056 0.629269 0.5 59 63.546 0.00196712 -3.54076 63.546000 Cu 0.79378 0.586431 1 41 63.546 0.0217898 -3.53141 63.546000 Cu 0.87119 0.615122 1 42 63.546 0.00441889 -3.53877 63.546000 Cu 0.889334 0.590965 0.5 43 63.546 0.0100162 -3.53461 63.546000 Cu 0.774648 0.610371 0.5 44 63.546 0.00346747 -3.53796 63.546000 Cu 0.984976 0.59532 1 45 63.546 0.00632366 -3.54307 63.546000 Cu 0.967185 0.619705 0.5 46 63.546 0.00133357 -3.53942 63.546000 Cu 0.0264575 0.672785 1 66 63.546 0.000236418 -3.53927 63.546000 Cu 0.0448339 0.648626 0.5 67 63.546 0.000315755 -3.53925 63.546000 Cu 0.140836 0.653379 1.38043e-18 69 63.546 0.00033049 -3.54014 63.546000 Cu 0.218918 0.682324 1 70 63.546 6.79559e-05 -3.54027 63.546000 Cu 0.237083 0.658198 0.5 71 63.546 0.000462518 -3.54049 63.546000 Cu 0.122656 0.677546 0.5 72 63.546 4.27641e-05 -3.53976 63.546000 Cu 0.255492 0.634155 1 50 63.546 0.000525595 -3.54043 63.546000 Cu 0.448458 0.643811 6.1519e-17 54 63.546 0.000588455 -3.539 63.546000 Cu 0.352102 0.639034 0.5 56 63.546 0.000510409 -3.53968 63.546000 Cu 0.333525 0.663047 1.13315e-16 73 63.546 0.000161087 -3.53989 63.546000 Cu 0.429921 0.66789 0.5 75 63.546 7.62953e-05 -3.53933 63.546000 Cu 0.640769 0.653373 2.41275e-17 58 63.546 0.000425183 -3.54024 63.546000 Cu 0.54462 0.648568 0.5 60 63.546 0.000188198 -3.53933 63.546000 Cu 0.737183 0.658244 0.5 64 63.546 0.000396395 -3.5405 63.546000 Cu 0.526219 0.6727 0 77 63.546 6.82954e-05 -3.53933 63.546000 Cu 0.622517 0.677497 0.5 79 63.546 3.92587e-05 -3.53983 63.546000 Cu 0.718906 0.682322 0 81 63.546 9.72032e-05 -3.54029 63.546000 Cu 0.755715 0.634254 3.60111e-19 61 63.546 0.000449076 -3.54039 63.546000 Cu 0.833738 0.663132 7.09419e-17 62 63.546 0.000139468 -3.53984 63.546000 Cu 0.852417 0.639149 0.5 63 63.546 0.00106556 -3.53961 63.546000 Cu 0.948764 0.643909 1.22618e-16 65 63.546 0.00116845 -3.53894 63.546000 Cu 0.930195 0.667986 0.5 68 63.546 0.000252173 -3.5393 63.546000 Cu 0.00807254 0.696884 0.5 87 63.546 6.40421e-05 -3.53959 63.546000 Cu 0.104409 0.701681 1 89 63.546 5.18412e-05 -3.5397 63.546000 Cu 0.182322 0.730607 4.2013e-19 90 63.546 2.08767e-05 -3.53975 63.546000 Cu 0.200677 0.706475 0.5 91 63.546 2.41219e-05 -3.53996 63.546000 Cu 0.0860606 0.725794 0.5 92 63.546 3.48488e-05 -3.53984 63.546000 Cu 0.411511 0.691973 1 74 63.546 5.90358e-05 -3.53993 63.546000 Cu 0.315194 0.68714 0.5 76 63.546 9.5044e-05 -3.54028 63.546000 Cu 0.296942 0.711286 0 93 63.546 1.83386e-05 -3.54024 63.546000 Cu 0.393271 0.716097 0.5 95 63.546 1.57709e-05 -3.54022 63.546000 Cu 0.278601 0.735412 0.5 96 63.546 1.49633e-05 -3.53989 63.546000 Cu 0.489602 0.720901 2.43675e-16 97 63.546 4.38435e-05 -3.53999 63.546000 Cu 0.60425 0.701608 0 78 63.546 1.8652e-05 -3.53976 63.546000 Cu 0.507866 0.696797 0.5 80 63.546 1.2968e-05 -3.53965 63.546000 Cu 0.700589 0.706436 0.5 84 63.546 2.65613e-05 -3.54 63.546000 Cu 0.585902 0.725718 0.5 99 63.546 3.47335e-05 -3.53988 63.546000 Cu 0.682188 0.730552 6.00786e-17 101 63.546 1.56569e-05 -3.53978 63.546000 Cu 0.796937 0.711293 1 82 63.546 1.13835e-05 -3.54026 63.546000 Cu 0.815308 0.687183 0.5 83 63.546 7.48334e-05 -3.54028 63.546000 Cu 0.911695 0.692052 1 85 63.546 4.35239e-05 -3.53991 63.546000 Cu 0.989737 0.720973 1.20037e-19 86 63.546 3.50355e-05 -3.53998 63.546000 Cu 0.893348 0.716143 0.5 88 63.546 1.5253e-05 -3.54022 63.546000 Cu 0.778519 0.735391 0.5 103 63.546 1.35646e-05 -3.53993 63.546000 Cu 0.0491579 0.774015 0.5 109 63.546 2.19648e-05 -3.53985 63.546000 Cu 0.0675985 0.749912 2.49077e-17 110 63.546 2.21664e-05 -3.53974 63.546000 Cu 0.145436 0.77882 1 111 63.546 2.11782e-05 -3.53973 63.546000 Cu 0.16387 0.754716 0.5 112 63.546 4.11115e-06 -3.53967 63.546000 Cu 0.241705 0.783628 0.5 116 63.546 1.90092e-05 -3.53997 63.546000 Cu 0.374949 0.740221 1.21478e-16 94 63.546 3.34653e-05 -3.53996 63.546000 Cu 0.471227 0.745032 0.5 100 63.546 1.32302e-05 -3.53992 63.546000 Cu 0.260205 0.759516 1.21838e-16 113 63.546 1.83783e-05 -3.53989 63.546000 Cu 0.338012 0.788455 2.81667e-16 114 63.546 1.97498e-05 -3.54025 63.546000 Cu 0.356502 0.764328 0.5 115 63.546 1.84144e-05 -3.54006 63.546000 Cu 0.452787 0.769155 6.69807e-17 117 63.546 1.00563e-05 -3.54013 63.546000 Cu 0.567463 0.749846 0 98 63.546 8.10017e-06 -3.53975 63.546000 Cu 0.663721 0.754654 0.5 104 63.546 3.40372e-05 -3.53969 63.546000 Cu 0.549058 0.773967 0.5 119 63.546 8.83433e-06 -3.53987 63.546000 Cu 0.645301 0.778764 1.73814e-16 121 63.546 5.2702e-05 -3.53976 63.546000 Cu 0.741579 0.783581 0.5 123 63.546 6.77267e-05 -3.54002 63.546000 Cu 0.760092 0.759478 0 102 63.546 3.34577e-05 -3.53994 63.546000 Cu 0.874953 0.74024 0 105 63.546 2.62117e-05 -3.54002 63.546000 Cu 0.952825 0.769182 1.34262e-16 106 63.546 1.63912e-05 -3.54012 63.546000 Cu 0.971309 0.745084 0.5 107 63.546 2.97235e-05 -3.53994 63.546000 Cu 0.856463 0.764324 0.5 108 63.546 1.48133e-05 -3.5401 63.546000 Cu 0.837937 0.78843 2.14386e-16 125 63.546 2.10196e-05 -3.54028 63.546000 Cu 0.0307522 0.798136 0 129 63.546 0.000104631 -3.54037 63.546000 Cu 0.0122921 0.822237 0.5 130 63.546 0.000288865 -3.54074 63.546000 Cu 0.108657 0.827115 3.65333e-16 131 63.546 0.000434528 -3.54037 63.546000 Cu 0.127015 0.802956 0.5 132 63.546 3.17976e-05 -3.53998 63.546000 Cu 0.223193 0.807757 2.5838e-16 133 63.546 7.93837e-05 -3.5395 63.546000 Cu 0.204806 0.831907 0.5 136 63.546 0.000144192 -3.5392 63.546000 Cu 0.434359 0.793285 0.5 120 63.546 6.32805e-05 -3.54041 63.546000 Cu 0.300867 0.836644 3.45767e-16 134 63.546 0.000587577 -3.53881 63.546000 Cu 0.319448 0.812551 0.5 135 63.546 0.000114742 -3.53951 63.546000 Cu 0.415846 0.817366 1.20877e-16 137 63.546 7.69029e-05 -3.54012 63.546000 Cu 0.397123 0.841406 0.5 140 63.546 0.000599619 -3.5395 63.546000 Cu 0.530689 0.798106 2.08084e-16 118 63.546 7.60473e-05 -3.54033 63.546000 Cu 0.723075 0.807708 3.08015e-16 122 63.546 0.00013358 -3.53949 63.546000 Cu 0.62691 0.802911 0.5 124 63.546 1.1868e-05 -3.53993 63.546000 Cu 0.512257 0.822223 0.5 139 63.546 0.000261799 -3.5407 63.546000 Cu 0.608573 0.827078 1.22198e-16 141 63.546 0.000324973 -3.54033 63.546000 Cu 0.7047 0.831859 0.5 143 63.546 0.000136584 -3.5392 63.546000 Cu 0.915812 0.817352 0 126 63.546 7.52229e-05 -3.54015 63.546000 Cu 0.934356 0.793288 0.5 127 63.546 5.25524e-05 -3.54043 63.546000 Cu 0.819361 0.812513 0.5 128 63.546 0.000176365 -3.53954 63.546000 Cu 0.800777 0.836599 0 145 63.546 0.000724067 -3.53885 63.546000 Cu 0.897072 0.841376 0.5 147 63.546 0.000710979 -3.53952 63.546000 Cu 0.0715597 0.875228 2.43915e-16 151 63.546 0.00212813 -3.54016 63.546000 Cu 0.0903315 0.85123 0.5 152 63.546 0.00174998 -3.54083 63.546000 Cu 0.186562 0.85613 1 153 63.546 0.00153175 -3.54059 63.546000 Cu 0.168178 0.880364 0.5 156 63.546 0.00941163 -3.54428 63.546000 Cu 0.493682 0.84627 0 138 63.546 0.000360615 -3.54039 63.546000 Cu 0.264476 0.885197 6.60204e-19 154 63.546 0.00715778 -3.54339 63.546000 Cu 0.282384 0.860838 0.5 155 63.546 0.000939469 -3.53941 63.546000 Cu 0.378385 0.865445 2.03163e-16 157 63.546 0.00323048 -3.53843 63.546000 Cu 0.455776 0.89416 1 158 63.546 0.0193224 -3.53149 63.546000 Cu 0.474831 0.870188 0.5 159 63.546 0.00279353 -3.53785 63.546000 Cu 0.360199 0.889615 0.5 160 63.546 0.00879743 -3.53488 63.546000 Cu 0.686472 0.856089 6.00186e-20 142 63.546 0.00129124 -3.54059 63.546000 Cu 0.590271 0.851208 0.5 144 63.546 0.00160595 -3.54085 63.546000 Cu 0.571551 0.875223 1 161 63.546 0.00213776 -3.54018 63.546000 Cu 0.668128 0.880335 0.5 163 63.546 0.00902923 -3.54427 63.546000 Cu 0.878316 0.865406 0 146 63.546 0.00353231 -3.53847 63.546000 Cu 0.782288 0.860791 0.5 148 63.546 0.00103427 -3.53942 63.546000 Cu 0.993684 0.846265 3.65453e-16 149 63.546 0.000350946 -3.54039 63.546000 Cu 0.974799 0.870169 0.5 150 63.546 0.0029623 -3.53785 63.546000 Cu 0.764405 0.885151 1 165 63.546 0.00658515 -3.54336 63.546000 Cu 0.860119 0.889571 0.5 167 63.546 0.00921976 -3.53488 63.546000 Cu 0.955715 0.894128 3.60111e-19 169 63.546 0.0199418 -3.53148 63.546000 Cu 0.0302032 0.923063 1 170 63.546 0.130945 -3.54306 63.546000 Cu 0.0514145 0.899065 0.5 171 63.546 0.011277 -3.53818 63.546000 Cu 0.14918 0.904259 3.46307e-17 173 63.546 0.0263416 -3.54634 63.546000 Cu 0.232271 0.932713 1 174 63.546 0.600215 -3.45852 63.546000 Cu 0.247659 0.90941 0.5 175 63.546 0.0564357 -3.54254 63.546000 Cu 0.129224 0.92727 0.5 176 63.546 0.0774464 -3.52446 63.546000 Cu 0.00944743 0.946567 0.5 191 63.546 0.57164 -3.5113 63.546000 Cu 0.343923 0.914243 1 177 63.546 0.0768866 -3.51716 63.546000 Cu 0.414813 0.944895 4.80149e-19 178 63.546 0.46748 -3.48195 63.546000 Cu 0.435912 0.918559 0.5 179 63.546 0.0875795 -3.50841 63.546000 Cu 0.32794 0.939764 0.5 180 63.546 0.664971 -3.43691 63.546000 Cu 0.649187 0.904247 1 162 63.546 0.0261485 -3.54647 63.546000 Cu 0.551455 0.899077 0.5 164 63.546 0.0110341 -3.53821 63.546000 Cu 0.747624 0.909378 0.5 168 63.546 0.055457 -3.54263 63.546000 Cu 0.530293 0.923086 1 181 63.546 0.129111 -3.54305 63.546000 Cu 0.629276 0.927277 0.5 183 63.546 0.0765763 -3.52476 63.546000 Cu 0.509558 0.946596 0.5 184 63.546 0.566251 -3.51114 63.546000 Cu 0.73226 0.932696 8.51663e-17 185 63.546 0.598137 -3.45918 63.546000 Cu 0.843846 0.914198 5.40167e-19 166 63.546 0.0762476 -3.51716 63.546000 Cu 0.935831 0.91852 0.5 172 63.546 0.089076 -3.50841 63.546000 Cu 0.827877 0.939723 0.5 187 63.546 0.659721 -3.43677 63.546000 Cu 0.914711 0.944864 1.80056e-19 189 63.546 0.469999 -3.48196 63.546000 Cu 0.114709 0.949834 0 193 63.546 3.52931 -3.44686 63.546000 Cu 0.119326 0.991414 2.37734e-16 194 63.546 3.92096 -3.44847 63.546000 Cu 0.212859 0.954574 0.5 195 63.546 8.99059 -3.28581 63.546000 Cu 0.0981731 0.970806 0.5 196 63.546 6.77167 -3.23649 63.546000 Cu 0.217596 0.986442 0.5 200 63.546 9.44587 -3.30188 63.546000 Cu 0.00210567 0.970879 1.33721e-16 190 63.546 1.11926 -3.5108 63.546000 Cu 0.0126489 0.995239 0.5 208 63.546 0.618565 -3.49589 63.546000 Cu 0.418089 0.997119 3.66533e-16 215 63.546 0.561811 -3.46368 63.546000 Cu 0.300307 0.969781 1.79275e-16 197 63.546 8.50272 -3.4701 63.546000 Cu 0.401059 0.971001 0.5 199 63.546 2.19309 -3.52185 63.546000 Cu 0.502181 0.970907 1 201 63.546 1.11624 -3.51074 63.546000 Cu 0.512682 0.995261 0.5 204 63.546 0.617875 -3.49608 63.546000 Cu 0.614777 0.949855 1 182 63.546 3.52931 -3.44721 63.546000 Cu 0.712887 0.954574 0.5 188 63.546 8.9858 -3.2861 63.546000 Cu 0.598241 0.970831 0.5 203 63.546 6.7645 -3.2363 63.546000 Cu 0.619354 0.991439 1 205 63.546 3.92217 -3.44822 63.546000 Cu 0.717648 0.986445 0.5 206 63.546 9.44524 -3.30202 63.546000 Cu 0.918084 0.997103 6.00186e-19 210 63.546 0.564094 -3.46333 63.546000 Cu 0.800268 0.96974 3.00093e-19 186 63.546 8.51031 -3.46974 63.546000 Cu 0.900976 0.97098 0.5 192 63.546 2.20298 -3.52173