Number of particles = 398 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.0251 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 72.3035 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61753 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 0.0996509 0.0446457 0 210 63.546 0.0505788 -3.54157 63.546000 Cu 0.0402289 0.0243501 0.5 211 63.546 0.0641422 -3.53373 63.546000 Cu 0.020254 0.0601061 0.5 212 63.546 0.0170682 -3.54187 63.546000 Cu 0.11975 0.00837072 2.94913e-17 213 63.546 0.272908 -3.51847 63.546000 Cu 0.256301 0.0177541 1 214 63.546 0.491699 -3.46634 63.546000 Cu 0.177681 0.0299375 0.5 215 63.546 0.0941403 -3.52698 63.546000 Cu 0.159114 0.0654348 0.5 225 63.546 0.0127167 -3.53939 63.546000 Cu 0.238103 0.0514847 1 227 63.546 0.0582744 -3.51917 63.546000 Cu 0.31848 0.0371575 0.5 229 63.546 0.0974473 -3.52282 63.546000 Cu 0.299439 0.0714565 0.5 230 63.546 0.0222263 -3.53373 63.546000 Cu 0.33807 0.00347599 0.5 216 63.546 0.437232 -3.48253 63.546000 Cu 0.379783 0.0562805 2.94913e-17 228 63.546 0.0104303 -3.53712 63.546000 Cu 0.399485 0.0216171 1.96489e-16 231 63.546 0.0226847 -3.52895 63.546000 Cu 0.540229 0.0243501 1.71373e-16 232 63.546 0.0641422 -3.53373 63.546000 Cu 0.480392 0.00523139 0.5 233 63.546 0.0599427 -3.5289 63.546000 Cu 0.460231 0.0405126 0.5 234 63.546 0.0122048 -3.53882 63.546000 Cu 0.61975 0.00837072 0.5 235 63.546 0.272908 -3.51847 63.546000 Cu 0.440404 0.0757001 0.5 251 63.546 0.0032585 -3.54011 63.546000 Cu 0.520254 0.0601061 1.32771e-16 253 63.546 0.0170682 -3.54187 63.546000 Cu 0.659114 0.0654348 1 254 63.546 0.0127167 -3.53939 63.546000 Cu 0.599651 0.0446457 0.5 255 63.546 0.0505788 -3.54157 63.546000 Cu 0.677681 0.0299375 1 257 63.546 0.0941403 -3.52698 63.546000 Cu 0.83807 0.00347599 4.54957e-17 203 63.546 0.437232 -3.48253 63.546000 Cu 0.980392 0.00523139 1.40024e-16 204 63.546 0.0599427 -3.5289 63.546000 Cu 0.899485 0.0216171 0.5 205 63.546 0.0226847 -3.52895 63.546000 Cu 0.940404 0.0757001 1 206 63.546 0.0032585 -3.54011 63.546000 Cu 0.879783 0.0562805 0.5 207 63.546 0.0104303 -3.53712 63.546000 Cu 0.960231 0.0405126 1 209 63.546 0.0122048 -3.53882 63.546000 Cu 0.81848 0.0371575 1 258 63.546 0.0974473 -3.52282 63.546000 Cu 0.756301 0.0177541 0.5 259 63.546 0.491699 -3.46634 63.546000 Cu 0.738103 0.0514847 0.5 260 63.546 0.0582744 -3.51917 63.546000 Cu 0.799439 0.0714565 1 285 63.546 0.0222263 -3.53373 63.546000 Cu 0.0607096 0.115599 1 220 63.546 0.00253159 -3.54096 63.546000 Cu 0.0801231 0.0802701 1 223 63.546 0.0108137 -3.54196 63.546000 Cu 0.219557 0.0860672 1 224 63.546 0.00770057 -3.53452 63.546000 Cu 0.140172 0.100659 0.5 226 63.546 0.00219175 -3.54013 63.546000 Cu 0.0412036 0.150792 1 241 63.546 0.00078473 -3.54032 63.546000 Cu 0.12084 0.135806 0.5 243 63.546 0.00042745 -3.54003 63.546000 Cu 0.200488 0.120962 1 245 63.546 0.00118241 -3.53819 63.546000 Cu 0.280281 0.106147 0.5 247 63.546 0.00474924 -3.5371 63.546000 Cu 0.260927 0.141047 0.5 248 63.546 0.000928203 -3.53874 63.546000 Cu 0.000619538 0.0955126 0.5 221 63.546 0.00403513 -3.54133 63.546000 Cu 0.340828 0.12603 1 246 63.546 0.00108986 -3.53909 63.546000 Cu 0.360346 0.091095 1 249 63.546 0.00357112 -3.53844 63.546000 Cu 0.50062 0.0955126 1 250 63.546 0.00403513 -3.54133 63.546000 Cu 0.420798 0.110829 0.5 252 63.546 0.000670133 -3.54021 63.546000 Cu 0.580123 0.0802701 0.5 256 63.546 0.0108137 -3.54196 63.546000 Cu 0.401196 0.145928 0.5 275 63.546 0.000170086 -3.5399 63.546000 Cu 0.481028 0.130738 1 277 63.546 0.00102801 -3.54052 63.546000 Cu 0.62084 0.135806 1 278 63.546 0.00042745 -3.54003 63.546000 Cu 0.56071 0.115599 0.5 279 63.546 0.00253159 -3.54096 63.546000 Cu 0.541204 0.150792 0.5 280 63.546 0.00078473 -3.54032 63.546000 Cu 0.640172 0.100659 1 281 63.546 0.00219175 -3.54013 63.546000 Cu 0.860346 0.091095 0.5 208 63.546 0.00357112 -3.53844 63.546000 Cu 0.901196 0.145928 2.94913e-17 217 63.546 0.000170086 -3.5399 63.546000 Cu 0.840828 0.12603 0.5 218 63.546 0.00108986 -3.53909 63.546000 Cu 0.920798 0.110829 1 219 63.546 0.000670133 -3.54021 63.546000 Cu 0.981028 0.130738 0.5 222 63.546 0.00102801 -3.54052 63.546000 Cu 0.780281 0.106147 1 282 63.546 0.00474924 -3.5371 63.546000 Cu 0.719557 0.0860672 0.5 283 63.546 0.00770057 -3.53452 63.546000 Cu 0.700488 0.120962 0.5 284 63.546 0.00118241 -3.53819 63.546000 Cu 0.760927 0.141047 2.94913e-17 309 63.546 0.000928203 -3.53874 63.546000 Cu 0.0220053 0.18594 1 238 63.546 0.000203148 -3.54016 63.546000 Cu 0.181135 0.155976 5.75439e-17 242 63.546 0.000315025 -3.53931 63.546000 Cu 0.101556 0.17092 0.5 244 63.546 0.000161627 -3.53982 63.546000 Cu 0.143307 0.226078 1 266 63.546 1.57335e-05 -3.53951 63.546000 Cu 0.0825616 0.206017 0.5 267 63.546 0.000104314 -3.53979 63.546000 Cu 0.162062 0.191026 1 269 63.546 9.99516e-05 -3.5393 63.546000 Cu 0.302274 0.196068 1 270 63.546 0.000126356 -3.53949 63.546000 Cu 0.241656 0.176046 0.5 271 63.546 0.000247732 -3.5393 63.546000 Cu 0.222723 0.211081 0.5 272 63.546 7.96996e-05 -3.53917 63.546000 Cu 0.321399 0.161037 1.44459e-16 273 63.546 0.0003731 -3.5394 63.546000 Cu 0.00311542 0.221062 4.33977e-17 265 63.546 3.3804e-05 -3.54007 63.546000 Cu 0.461574 0.165889 1 274 63.546 0.00031679 -3.54018 63.546000 Cu 0.381912 0.181007 0.5 276 63.546 9.89566e-05 -3.53975 63.546000 Cu 0.362968 0.216082 0.5 299 63.546 5.4239e-05 -3.53985 63.546000 Cu 0.442486 0.201011 1 301 63.546 8.61309e-05 -3.54012 63.546000 Cu 0.582562 0.206017 2.94913e-17 302 63.546 0.000104314 -3.53979 63.546000 Cu 0.522005 0.18594 0.5 303 63.546 0.000203148 -3.54016 63.546000 Cu 0.503115 0.221062 0.5 304 63.546 3.3804e-05 -3.54007 63.546000 Cu 0.601556 0.17092 2.94913e-17 305 63.546 0.000161627 -3.53982 63.546000 Cu 0.662062 0.191026 0.5 308 63.546 9.99516e-05 -3.5393 63.546000 Cu 0.643307 0.226078 0.5 331 63.546 1.57335e-05 -3.53951 63.546000 Cu 0.681135 0.155976 0.5 307 63.546 0.000315025 -3.53931 63.546000 Cu 0.862968 0.216082 1.21082e-16 236 63.546 5.4239e-05 -3.53985 63.546000 Cu 0.881912 0.181007 2.94913e-17 237 63.546 9.89566e-05 -3.53975 63.546000 Cu 0.961574 0.165889 0.5 239 63.546 0.00031679 -3.54018 63.546000 Cu 0.942486 0.201011 0.5 240 63.546 8.61309e-05 -3.54012 63.546000 Cu 0.741656 0.176046 2.94913e-17 306 63.546 0.000247732 -3.5393 63.546000 Cu 0.821399 0.161037 0.5 310 63.546 0.0003731 -3.5394 63.546000 Cu 0.722723 0.211081 6.97121e-17 333 63.546 7.96996e-05 -3.53917 63.546000 Cu 0.802274 0.196068 0.5 334 63.546 0.000126356 -3.53949 63.546000 Cu 0.2835 0.231112 2.94913e-17 297 63.546 9.90921e-06 -3.53942 63.546000 Cu 0.0638514 0.241105 0.5 268 63.546 2.59104e-05 -3.53986 63.546000 Cu 0.105608 0.296165 2.94913e-17 290 63.546 0.000223962 -3.53924 63.546000 Cu 0.0450372 0.276189 0.5 291 63.546 6.98425e-05 -3.53997 63.546000 Cu 0.124583 0.261133 1 293 63.546 7.17114e-05 -3.53954 63.546000 Cu 0.264781 0.266165 4.65147e-17 294 63.546 3.69814e-05 -3.53932 63.546000 Cu 0.204075 0.246124 0.5 295 63.546 1.76831e-05 -3.5393 63.546000 Cu 0.185264 0.281148 0.5 296 63.546 0.000146182 -3.53904 63.546000 Cu 0.245915 0.30119 1.44459e-17 321 63.546 0.000264675 -3.53888 63.546000 Cu 0.32542 0.286234 0.5 323 63.546 8.76227e-05 -3.53975 63.546000 Cu 0.344269 0.251154 0.5 300 63.546 3.49613e-05 -3.53981 63.546000 Cu 0.423714 0.236124 1 298 63.546 2.12442e-05 -3.53995 63.546000 Cu 0.38589 0.30635 2.94913e-17 322 63.546 0.000480231 -3.54047 63.546000 Cu 0.404905 0.271225 1.22041e-16 325 63.546 9.97605e-05 -3.54034 63.546000 Cu 0.545037 0.276189 1 326 63.546 6.98425e-05 -3.53997 63.546000 Cu 0.48442 0.256164 0.5 327 63.546 4.5398e-05 -3.54007 63.546000 Cu 0.465456 0.291283 0.5 328 63.546 0.000243097 -3.54045 63.546000 Cu 0.563851 0.241105 1 329 63.546 2.59104e-05 -3.53986 63.546000 Cu 0.624583 0.261133 0.5 332 63.546 7.17114e-05 -3.53954 63.546000 Cu 0.605608 0.296165 0.5 355 63.546 0.000223962 -3.53924 63.546000 Cu 0.7835 0.231112 0.5 335 63.546 9.90921e-06 -3.53942 63.546000 Cu 0.685264 0.281148 1 357 63.546 0.000146182 -3.53904 63.546000 Cu 0.844269 0.251154 2.94913e-17 261 63.546 3.49613e-05 -3.53981 63.546000 Cu 0.98442 0.256164 8.18203e-17 262 63.546 4.5398e-05 -3.54007 63.546000 Cu 0.923714 0.236124 0.5 263 63.546 2.12442e-05 -3.53995 63.546000 Cu 0.904905 0.271225 0.5 264 63.546 9.97605e-05 -3.54034 63.546000 Cu 0.88589 0.30635 0.5 287 63.546 0.000480231 -3.54047 63.546000 Cu 0.965456 0.291283 1 289 63.546 0.000243097 -3.54045 63.546000 Cu 0.704075 0.246124 1 330 63.546 1.76831e-05 -3.5393 63.546000 Cu 0.82542 0.286234 1.79825e-19 358 63.546 8.76227e-05 -3.53975 63.546000 Cu 0.764781 0.266165 0.5 359 63.546 3.69814e-05 -3.53932 63.546000 Cu 0.745915 0.30119 0.5 360 63.546 0.000264675 -3.53888 63.546000 Cu 0.0259557 0.31126 0.5 292 63.546 0.000214574 -3.53998 63.546000 Cu 0.0671185 0.36604 1.00282e-16 314 63.546 0.00327758 -3.53829 63.546000 Cu 0.0865061 0.331139 2.94913e-17 317 63.546 0.000853073 -3.53902 63.546000 Cu 0.226936 0.336159 1 318 63.546 0.00144171 -3.53808 63.546000 Cu 0.166311 0.316108 0.5 319 63.546 0.00105468 -3.5385 63.546000 Cu 0.147155 0.350976 0.5 320 63.546 0.00490465 -3.53701 63.546000 Cu 0.306462 0.321321 0.5 324 63.546 0.000417094 -3.53976 63.546000 Cu 0.207951 0.371013 2.20585e-17 345 63.546 0.00896733 -3.53436 63.546000 Cu 0.287348 0.356433 0.5 347 63.546 0.00197325 -3.54009 63.546000 Cu 0.00661723 0.346336 0.5 315 63.546 0.000909523 -3.54027 63.546000 Cu 0.347344 0.37684 1.21741e-16 346 63.546 0.0109661 -3.54211 63.546000 Cu 0.366721 0.341527 2.94913e-17 349 63.546 0.00232869 -3.54094 63.546000 Cu 0.506617 0.346336 2.94913e-17 350 63.546 0.000909523 -3.54027 63.546000 Cu 0.446299 0.32642 0.5 351 63.546 0.00114975 -3.54082 63.546000 Cu 0.426809 0.361632 0.5 352 63.546 0.00480433 -3.54152 63.546000 Cu 0.525956 0.31126 1.21681e-16 353 63.546 0.000214574 -3.53998 63.546000 Cu 0.666311 0.316108 1 354 63.546 0.00105468 -3.5385 63.546000 Cu 0.586506 0.331139 0.5 356 63.546 0.000853073 -3.53902 63.546000 Cu 0.48699 0.381436 1.21921e-16 375 63.546 0.00395885 -3.54013 63.546000 Cu 0.567118 0.36604 0.5 377 63.546 0.00327758 -3.53829 63.546000 Cu 0.647155 0.350976 2.94913e-17 379 63.546 0.00490465 -3.53701 63.546000 Cu 0.946299 0.32642 1 286 63.546 0.00114975 -3.54082 63.546000 Cu 0.866721 0.341527 0.5 288 63.546 0.00232869 -3.54094 63.546000 Cu 0.847344 0.37684 0.5 312 63.546 0.0109661 -3.54211 63.546000 Cu 0.926809 0.361632 2.94913e-17 313 63.546 0.00480433 -3.54152 63.546000 Cu 0.98699 0.381436 0.5 316 63.546 0.00395885 -3.54013 63.546000 Cu 0.787348 0.356433 1 380 63.546 0.00197325 -3.54009 63.546000 Cu 0.726936 0.336159 0.5 381 63.546 0.00144171 -3.53808 63.546000 Cu 0.707951 0.371013 0.5 382 63.546 0.00896733 -3.53436 63.546000 Cu 0.806462 0.321321 1 383 63.546 0.000417094 -3.53976 63.546000 Cu 0.0276175 0.435414 1.21502e-16 338 63.546 0.0240546 -3.52805 63.546000 Cu 0.0474916 0.400812 1.32051e-16 341 63.546 0.010549 -3.53634 63.546000 Cu 0.189221 0.405548 1.21562e-16 342 63.546 0.0643082 -3.51778 63.546000 Cu 0.127993 0.385617 0.5 343 63.546 0.0238793 -3.53314 63.546000 Cu 0.108753 0.419849 0.5 344 63.546 0.105 -3.52164 63.546000 Cu 0.268272 0.391634 0.5 348 63.546 0.0124556 -3.53965 63.546000 Cu 0.0891397 0.453492 0.5 365 63.546 0.471723 -3.48083 63.546000 Cu 0.170928 0.4392 2.94913e-17 367 63.546 0.535289 -3.46305 63.546000 Cu 0.307369 0.44873 1 368 63.546 0.286515 -3.51945 63.546000 Cu 0.249518 0.427124 0.5 369 63.546 0.0988086 -3.52656 63.546000 Cu 0.327557 0.412458 2.94913e-17 371 63.546 0.0533588 -3.54192 63.546000 Cu 0.466988 0.416588 1 372 63.546 0.0135321 -3.53825 63.546000 Cu 0.407047 0.397026 0.5 373 63.546 0.0195668 -3.5421 63.546000 Cu 0.386894 0.432763 0.5 374 63.546 0.0703098 -3.5341 63.546000 Cu 0.627993 0.385617 1.21741e-16 376 63.546 0.0238793 -3.53314 63.546000 Cu 0.547492 0.400812 0.5 378 63.546 0.010549 -3.53634 63.546000 Cu 0.446807 0.451843 2.44022e-16 389 63.546 0.0705371 -3.52964 63.546000 Cu 0.58914 0.453492 1.77427e-17 390 63.546 0.471723 -3.48083 63.546000 Cu 0.527618 0.435414 0.5 391 63.546 0.0240546 -3.52805 63.546000 Cu 0.608753 0.419849 1 393 63.546 0.105 -3.52164 63.546000 Cu 0.689221 0.405548 0.5 395 63.546 0.0643082 -3.51778 63.546000 Cu 0.670928 0.4392 0.5 396 63.546 0.535289 -3.46305 63.546000 Cu 0.807369 0.44873 0.5 5 63.546 0.286515 -3.51945 63.546000 Cu 0.907047 0.397026 1 311 63.546 0.0195668 -3.5421 63.546000 Cu 0.886894 0.432763 1.21741e-16 337 63.546 0.0703098 -3.5341 63.546000 Cu 0.966988 0.416588 0.5 339 63.546 0.0135321 -3.53825 63.546000 Cu 0.946807 0.451843 0.5 340 63.546 0.0705371 -3.52964 63.546000 Cu 0.749518 0.427124 1 394 63.546 0.0988086 -3.52656 63.546000 Cu 0.768272 0.391634 2.94913e-17 397 63.546 0.0124556 -3.53965 63.546000 Cu 0.827557 0.412458 0.5 398 63.546 0.0533588 -3.54192 63.546000 Cu 0.232218 0.4637 0.5 370 63.546 5.23423 -3.46372 63.546000 Cu 0.0120398 0.504583 2.43543e-16 1 63.546 0.177765 -3.51513 63.546000 Cu 0.0932807 0.520863 0.5 2 63.546 0.381854 -3.48332 63.546000 Cu 0.154927 0.502772 1.21681e-16 32 63.546 7.31549 -3.28373 63.546000 Cu 0.175477 0.535125 1.21621e-16 33 63.546 0.424258 -3.47321 63.546000 Cu 0.151494 0.471379 1 364 63.546 7.28135 -3.2633 63.546000 Cu 0.0801533 0.487218 0.5 366 63.546 3.11514 -3.46028 63.546000 Cu 0.235524 0.511147 0.5 384 63.546 5.29259 -3.4652 63.546000 Cu 0.288004 0.487293 2.94913e-17 385 63.546 4.31565 -3.58709 63.546000 Cu 0.311953 0.526001 1.21921e-16 35 63.546 0.252107 -3.51836 63.546000 Cu 0.00939532 0.469933 1.21382e-16 363 63.546 0.231163 -3.51788 63.546000 Cu 0.370814 0.505505 0.5 388 63.546 0.335513 -3.5115 63.546000 Cu 0.451065 0.522773 3.65644e-16 14 63.546 0.0494535 -3.52636 63.546000 Cu 0.51204 0.504583 0.5 15 63.546 0.177765 -3.51513 63.546000 Cu 0.593281 0.520863 3.65044e-16 17 63.546 0.381854 -3.48332 63.546000 Cu 0.651494 0.471379 0.5 34 63.546 7.28135 -3.2633 63.546000 Cu 0.580153 0.487218 1.20842e-16 202 63.546 3.11514 -3.46028 63.546000 Cu 0.436057 0.487334 1.21262e-16 386 63.546 0.318551 -3.53384 63.546000 Cu 0.368062 0.469238 0.5 387 63.546 0.385094 -3.5153 63.546000 Cu 0.509395 0.469933 0.5 392 63.546 0.231163 -3.51788 63.546000 Cu 0.654927 0.502772 0.5 4 63.546 7.31549 -3.28373 63.546000 Cu 0.732218 0.4637 1 16 63.546 5.23423 -3.46372 63.546000 Cu 0.788004 0.487293 0.5 3 63.546 4.31565 -3.58709 63.546000 Cu 0.951065 0.522773 0.5 7 63.546 0.0494535 -3.52636 63.546000 Cu 0.811953 0.526001 0.5 8 63.546 0.252107 -3.51836 63.546000 Cu 0.675477 0.535125 0.5 19 63.546 0.424258 -3.47321 63.546000 Cu 0.735524 0.511147 2.94913e-17 195 63.546 5.29259 -3.4652 63.546000 Cu 0.868062 0.469238 2.44262e-16 336 63.546 0.385094 -3.5153 63.546000 Cu 0.870814 0.505505 2.43902e-16 361 63.546 0.335513 -3.5115 63.546000 Cu 0.936057 0.487334 0.5 362 63.546 0.318551 -3.53384 63.546000 Cu 0.0326281 0.539072 3.65764e-16 9 63.546 0.0208516 -3.52825 63.546000 Cu 0.0537372 0.573724 2.43782e-16 10 63.546 0.00931742 -3.53675 63.546000 Cu 0.114111 0.554562 0.5 11 63.546 0.0854995 -3.5237 63.546000 Cu 0.134745 0.588884 0.5 13 63.546 0.0190947 -3.53414 63.546000 Cu 0.0747382 0.608541 2.43423e-16 29 63.546 0.00329304 -3.5381 63.546000 Cu 0.254598 0.54751 0.5 38 63.546 0.0768816 -3.52993 63.546000 Cu 0.195108 0.568919 1.21562e-16 58 63.546 0.0505608 -3.52247 63.546000 Cu 0.21521 0.603523 2.94913e-17 59 63.546 0.00653719 -3.53555 63.546000 Cu 0.274761 0.58296 0.5 60 63.546 0.00994035 -3.54047 63.546000 Cu 0.614111 0.554562 2.0572e-16 18 63.546 0.0854995 -3.5237 63.546000 Cu 0.532628 0.539072 0.5 20 63.546 0.0208516 -3.52825 63.546000 Cu 0.333398 0.562186 7.187e-17 36 63.546 0.0459007 -3.54196 63.546000 Cu 0.392046 0.541917 0.5 37 63.546 0.0591491 -3.53272 63.546000 Cu 0.472652 0.558005 2.43363e-16 39 63.546 0.0111994 -3.53765 63.546000 Cu 0.494026 0.593167 2.94913e-17 40 63.546 0.00288178 -3.53966 63.546000 Cu 0.553737 0.573724 0.5 41 63.546 0.00931742 -3.53675 63.546000 Cu 0.413472 0.577612 0.5 42 63.546 0.0160661 -3.54135 63.546000 Cu 0.634745 0.588884 1.21382e-16 43 63.546 0.0190947 -3.53414 63.546000 Cu 0.574738 0.608541 0.5 46 63.546 0.00329304 -3.5381 63.546000 Cu 0.35449 0.597772 2.94913e-17 61 63.546 0.00959152 -3.54203 63.546000 Cu 0.434683 0.612975 0.5 63 63.546 0.00422273 -3.54093 63.546000 Cu 0.994026 0.593167 0.5 27 63.546 0.00288178 -3.53966 63.546000 Cu 0.892046 0.541917 1.21142e-16 6 63.546 0.0591491 -3.53272 63.546000 Cu 0.972652 0.558005 0.5 12 63.546 0.0111994 -3.53765 63.546000 Cu 0.754598 0.54751 1.20902e-16 21 63.546 0.0768816 -3.52993 63.546000 Cu 0.774761 0.58296 1.20483e-17 22 63.546 0.00994035 -3.54047 63.546000 Cu 0.833398 0.562186 0.5 23 63.546 0.0459007 -3.54196 63.546000 Cu 0.695108 0.568919 0.5 24 63.546 0.0505608 -3.52247 63.546000 Cu 0.913472 0.577612 1.21442e-16 25 63.546 0.0160661 -3.54135 63.546000 Cu 0.934683 0.612975 1.21442e-16 26 63.546 0.00422273 -3.54093 63.546000 Cu 0.85449 0.597772 0.5 28 63.546 0.00959152 -3.54203 63.546000 Cu 0.71521 0.603523 0.5 45 63.546 0.00653719 -3.53555 63.546000 Cu 0.0955675 0.643467 2.94913e-17 30 63.546 0.0011838 -3.539 63.546000 Cu 0.0151144 0.628285 0.5 31 63.546 0.000615714 -3.5398 63.546000 Cu 0.0357793 0.663361 0.5 53 63.546 0.000325434 -3.53981 63.546000 Cu 0.115884 0.678455 2.43543e-16 55 63.546 0.000459867 -3.53942 63.546000 Cu 0.295376 0.618153 0.5 64 63.546 0.00174645 -3.54045 63.546000 Cu 0.15535 0.623576 0.5 82 63.546 0.00369152 -3.53737 63.546000 Cu 0.235781 0.63839 1 83 63.546 0.00096337 -3.53855 63.546000 Cu 0.255994 0.673367 2.94913e-17 84 63.546 0.000161498 -3.53919 63.546000 Cu 0.175914 0.65846 0.5 86 63.546 0.000837948 -3.53871 63.546000 Cu 0.315886 0.65325 0.5 85 63.546 0.000478191 -3.5397 63.546000 Cu 0.375421 0.633065 1.21022e-16 62 63.546 0.00229895 -3.54061 63.546000 Cu 0.515114 0.628285 1.21322e-16 65 63.546 0.000615714 -3.5398 63.546000 Cu 0.535779 0.663361 3.65524e-16 66 63.546 0.000325434 -3.53981 63.546000 Cu 0.595567 0.643467 0.5 67 63.546 0.0011838 -3.539 63.546000 Cu 0.455561 0.648184 0.5 68 63.546 0.00105249 -3.54043 63.546000 Cu 0.615884 0.678455 0.5 72 63.546 0.000459867 -3.53942 63.546000 Cu 0.395898 0.668224 3.65524e-16 87 63.546 0.000763545 -3.54041 63.546000 Cu 0.475866 0.683326 0.5 89 63.546 0.000201461 -3.54008 63.546000 Cu 0.335958 0.688319 0.5 90 63.546 0.000197756 -3.53992 63.546000 Cu 0.65535 0.623576 1.40563e-16 44 63.546 0.00369152 -3.53737 63.546000 Cu 0.795376 0.618153 2.94913e-17 47 63.546 0.00174645 -3.54045 63.546000 Cu 0.815886 0.65325 8.45776e-17 48 63.546 0.000478191 -3.5397 63.546000 Cu 0.875421 0.633065 0.5 49 63.546 0.00229895 -3.54061 63.546000 Cu 0.735781 0.63839 0.5 50 63.546 0.00096337 -3.53855 63.546000 Cu 0.955561 0.648184 1.21262e-16 51 63.546 0.00105249 -3.54043 63.546000 Cu 0.975866 0.683326 2.94913e-17 52 63.546 0.000201461 -3.54008 63.546000 Cu 0.895898 0.668224 0.5 54 63.546 0.000763545 -3.54041 63.546000 Cu 0.675914 0.65846 1.20662e-16 69 63.546 0.000837948 -3.53871 63.546000 Cu 0.755994 0.673367 0.5 71 63.546 0.000161498 -3.53919 63.546000 Cu 0.835958 0.688319 1.05437e-16 73 63.546 0.000197756 -3.53992 63.546000 Cu 0.135774 0.713476 1 56 63.546 0.000105968 -3.53967 63.546000 Cu 0.0557596 0.698432 0.5 57 63.546 0.000122736 -3.53992 63.546000 Cu 0.015814 0.753559 1.47936e-16 78 63.546 0.000164582 -3.54018 63.546000 Cu 0.0756796 0.733505 0.5 79 63.546 0.000140885 -3.53973 63.546000 Cu 0.195953 0.693433 0.5 108 63.546 0.000161299 -3.53959 63.546000 Cu 0.275867 0.708409 1 109 63.546 3.07781e-05 -3.53965 63.546000 Cu 0.295766 0.743454 6.72545e-17 110 63.546 5.2096e-05 -3.53937 63.546000 Cu 0.215683 0.728461 0.5 112 63.546 0.000109339 -3.53924 63.546000 Cu 0.155743 0.7485 1.87258e-16 132 63.546 2.78781e-05 -3.53924 63.546000 Cu 0.235791 0.763484 0.5 134 63.546 7.08809e-05 -3.53905 63.546000 Cu 0.0958175 0.768583 0.5 81 63.546 0.000111008 -3.53988 63.546000 Cu 0.415833 0.703348 2.43962e-16 88 63.546 0.000165852 -3.54015 63.546000 Cu 0.55576 0.698432 1.27556e-16 91 63.546 0.000122736 -3.53992 63.546000 Cu 0.57568 0.733505 1 92 63.546 0.000140885 -3.53973 63.546000 Cu 0.635774 0.713476 0.5 93 63.546 0.000105968 -3.53967 63.546000 Cu 0.495701 0.718443 0.5 94 63.546 5.52664e-05 -3.54034 63.546000 Cu 0.355719 0.7234 0.5 111 63.546 0.000205838 -3.53991 63.546000 Cu 0.435731 0.738472 1 113 63.546 4.88522e-05 -3.54025 63.546000 Cu 0.515814 0.753559 0.5 115 63.546 0.000164582 -3.54018 63.546000 Cu 0.375845 0.758474 0.5 116 63.546 0.000147789 -3.53991 63.546000 Cu 0.655743 0.7485 0.5 98 63.546 2.78781e-05 -3.53924 63.546000 Cu 0.595818 0.768583 2.94913e-17 117 63.546 0.000111008 -3.53988 63.546000 Cu 0.995701 0.718443 2.94913e-17 77 63.546 5.52664e-05 -3.54034 63.546000 Cu 0.695953 0.693433 1.06876e-16 70 63.546 0.000161299 -3.53959 63.546000 Cu 0.855719 0.7234 1.87617e-16 74 63.546 0.000205838 -3.53991 63.546000 Cu 0.915833 0.703348 0.5 75 63.546 0.000165852 -3.54015 63.546000 Cu 0.775867 0.708409 0.5 76 63.546 3.07781e-05 -3.53965 63.546000 Cu 0.935731 0.738472 0.5 80 63.546 4.88522e-05 -3.54025 63.546000 Cu 0.715683 0.728461 7.97223e-17 95 63.546 0.000109339 -3.53924 63.546000 Cu 0.735791 0.763484 1.46677e-16 96 63.546 7.08809e-05 -3.53905 63.546000 Cu 0.795766 0.743454 0.5 97 63.546 5.2096e-05 -3.53937 63.546000 Cu 0.875845 0.758474 1.46857e-16 99 63.546 0.000147789 -3.53991 63.546000 Cu 0.035886 0.788682 1.21382e-16 103 63.546 0.000524374 -3.5402 63.546000 Cu 0.0559658 0.823875 2.94913e-17 104 63.546 0.00220161 -3.54117 63.546000 Cu 0.11581 0.803683 0.5 105 63.546 0.00045383 -3.54006 63.546000 Cu 0.135644 0.838827 0.5 107 63.546 0.00221234 -3.54021 63.546000 Cu 0.17575 0.78354 9.06916e-17 133 63.546 0.000171147 -3.53914 63.546000 Cu 0.255796 0.798456 0.5 138 63.546 0.000827811 -3.53858 63.546000 Cu 0.195661 0.818541 2.43663e-16 158 63.546 0.00104838 -3.53834 63.546000 Cu 0.275716 0.833351 0.5 160 63.546 0.00447527 -3.53738 63.546000 Cu 0.315854 0.778474 2.94913e-17 135 63.546 0.000277239 -3.53933 63.546000 Cu 0.455932 0.773587 1 114 63.546 0.000139738 -3.54026 63.546000 Cu 0.61581 0.803683 1.96249e-16 118 63.546 0.00045383 -3.54006 63.546000 Cu 0.535886 0.788682 0.5 120 63.546 0.000524374 -3.5402 63.546000 Cu 0.33598 0.813465 6.98919e-17 136 63.546 0.0010569 -3.53913 63.546000 Cu 0.395994 0.793559 0.5 137 63.546 0.000162555 -3.53997 63.546000 Cu 0.476059 0.808729 1 139 63.546 0.000762101 -3.54054 63.546000 Cu 0.496191 0.843976 2.94913e-17 140 63.546 0.00398771 -3.54143 63.546000 Cu 0.555966 0.823875 0.5 141 63.546 0.00220161 -3.54117 63.546000 Cu 0.41616 0.828661 0.5 142 63.546 0.000784327 -3.54022 63.546000 Cu 0.635644 0.838827 2.47559e-17 143 63.546 0.00221234 -3.54021 63.546000 Cu 0.996191 0.843976 0.5 127 63.546 0.00398771 -3.54143 63.546000 Cu 0.895994 0.793559 2.94913e-17 100 63.546 0.000162555 -3.53997 63.546000 Cu 0.955932 0.773587 0.5 101 63.546 0.000139738 -3.54026 63.546000 Cu 0.815854 0.778474 0.5 102 63.546 0.000277239 -3.53933 63.546000 Cu 0.976059 0.808729 0.5 106 63.546 0.000762101 -3.54054 63.546000 Cu 0.67575 0.78354 0.5 119 63.546 0.000171147 -3.53914 63.546000 Cu 0.755796 0.798456 1 121 63.546 0.000827811 -3.53858 63.546000 Cu 0.775716 0.833351 1 122 63.546 0.00447527 -3.53738 63.546000 Cu 0.83598 0.813465 0.5 123 63.546 0.0010569 -3.53913 63.546000 Cu 0.695661 0.818541 0.5 124 63.546 0.00104838 -3.53834 63.546000 Cu 0.91616 0.828661 3.40468e-17 125 63.546 0.000784327 -3.54022 63.546000 Cu 0.0760186 0.85921 1.21981e-16 129 63.546 0.0102628 -3.54188 63.546000 Cu 0.0965369 0.894814 1 130 63.546 0.0477609 -3.54186 63.546000 Cu 0.0166733 0.879381 0.5 131 63.546 0.0169085 -3.54137 63.546000 Cu 0.0377498 0.915103 0.5 153 63.546 0.0621947 -3.53264 63.546000 Cu 0.215343 0.853425 2.94913e-17 159 63.546 0.00742704 -3.53507 63.546000 Cu 0.29559 0.868048 0.5 164 63.546 0.0213647 -3.53418 63.546000 Cu 0.155405 0.874039 0.5 180 63.546 0.0117588 -3.54001 63.546000 Cu 0.234898 0.88802 2.94913e-17 181 63.546 0.0545562 -3.52125 63.546000 Cu 0.175156 0.909502 0.5 184 63.546 0.0852225 -3.52884 63.546000 Cu 0.31573 0.902357 0.5 183 63.546 0.0930924 -3.52348 63.546000 Cu 0.254206 0.921779 1.60284e-16 182 63.546 0.457373 -3.4706 63.546000 Cu 0.576019 0.85921 0.5 146 63.546 0.0102628 -3.54188 63.546000 Cu 0.356028 0.848398 2.94913e-17 161 63.546 0.00357108 -3.53845 63.546000 Cu 0.376371 0.883222 1 162 63.546 0.0101286 -3.53661 63.546000 Cu 0.43644 0.863802 0.5 163 63.546 0.00339388 -3.53985 63.546000 Cu 0.516673 0.879381 2.94913e-17 165 63.546 0.0169085 -3.54137 63.546000 Cu 0.53775 0.915103 3.1769e-18 166 63.546 0.0621947 -3.53264 63.546000 Cu 0.596537 0.894814 0.5 167 63.546 0.0477609 -3.54186 63.546000 Cu 0.457261 0.898983 0.5 168 63.546 0.0119522 -3.53749 63.546000 Cu 0.397224 0.917883 5.34679e-17 185 63.546 0.0219078 -3.52812 63.546000 Cu 0.655405 0.874039 7.43276e-18 144 63.546 0.0117588 -3.54001 63.546000 Cu 0.93644 0.863802 1.21262e-16 126 63.546 0.00339388 -3.53985 63.546000 Cu 0.856028 0.848398 0.5 128 63.546 0.00357108 -3.53845 63.546000 Cu 0.715343 0.853425 0.5 145 63.546 0.00742704 -3.53507 63.546000 Cu 0.79559 0.868048 9.09314e-17 147 63.546 0.0213647 -3.53418 63.546000 Cu 0.81573 0.902357 1.10113e-16 148 63.546 0.0930924 -3.52348 63.546000 Cu 0.876371 0.883222 0.5 149 63.546 0.0101286 -3.53661 63.546000 Cu 0.734898 0.88802 0.5 150 63.546 0.0545562 -3.52125 63.546000 Cu 0.957261 0.898983 2.43363e-16 151 63.546 0.0119522 -3.53749 63.546000 Cu 0.897224 0.917883 0.5 154 63.546 0.0219078 -3.52812 63.546000 Cu 0.675156 0.909502 1 169 63.546 0.0852225 -3.52884 63.546000 Cu 0.754206 0.921779 0.5 171 63.546 0.457373 -3.4706 63.546000 Cu 0.117774 0.93104 3.23685e-18 155 63.546 0.261741 -3.51794 63.546000 Cu 0.140506 0.969727 1 156 63.546 4.33256 -3.58698 63.546000 Cu 0.0584998 0.951562 0.5 157 63.546 0.356877 -3.51242 63.546000 Cu 0.0595202 0.987864 0.5 178 63.546 0.361649 -3.51379 63.546000 Cu 0.193913 0.945909 0.5 196 63.546 5.28318 -3.46477 63.546000 Cu 0.274662 0.954071 2.41864e-16 197 63.546 7.29379 -3.27763 63.546000 Cu 0.275853 0.985492 2.94913e-17 198 63.546 7.29519 -3.27101 63.546000 Cu 0.19524 0.993431 0.5 200 63.546 5.25632 -3.4629 63.546000 Cu 0.617774 0.93104 0.5 172 63.546 0.261741 -3.51794 63.546000 Cu 0.417249 0.95241 6.12603e-17 186 63.546 0.196962 -3.51587 63.546000 Cu 0.47863 0.934238 0.5 187 63.546 0.0563012 -3.527 63.546000 Cu 0.336443 0.936057 0.5 188 63.546 0.410145 -3.48211 63.546000 Cu 0.5585 0.951562 2.94913e-17 189 63.546 0.356877 -3.51242 63.546000 Cu 0.55952 0.987864 1 190 63.546 0.361649 -3.51379 63.546000 Cu 0.640506 0.969727 0.5 191 63.546 4.33256 -3.58698 63.546000 Cu 0.492407 0.96973 0.5 192 63.546 0.31944 -3.53393 63.546000 Cu 0.348289 0.969731 0.5 199 63.546 3.19187 -3.46074 63.546000 Cu 0.418263 0.987077 8.206e-17 201 63.546 0.211123 -3.51761 63.546000 Cu 0.992407 0.96973 2.94913e-17 177 63.546 0.31944 -3.53393 63.546000 Cu 0.97863 0.934238 2.94913e-17 152 63.546 0.0563012 -3.527 63.546000 Cu 0.693913 0.945909 1 170 63.546 5.28318 -3.46477 63.546000 Cu 0.836443 0.936057 1 173 63.546 0.410145 -3.48211 63.546000 Cu 0.848289 0.969731 1 174 63.546 3.19187 -3.46074 63.546000 Cu 0.917249 0.95241 0.5 175 63.546 0.196962 -3.51587 63.546000 Cu 0.774662 0.954071 0.5 176 63.546 7.29379 -3.27763 63.546000 Cu 0.918263 0.987077 0.5 179 63.546 0.211123 -3.51761 63.546000 Cu 0.69524 0.993431 1 193 63.546 5.25632 -3.4629 63.546000 Cu 0.775853 0.985492 0.5 194 63.546 7.29519 -3.27101