Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.3978 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 73.5616 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61791 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 0.0804789 0.0458561 8.92436e-17 225 63.546 0.736936 -3.41654 63.546000 Cu 0.052043 0.0148837 0.5 226 63.546 8.03263 -3.45875 63.546000 Cu 0.151087 0.0145068 1.19871e-19 228 63.546 2.3031 -3.51232 63.546000 Cu 0.166369 0.0406067 0.5 231 63.546 0.525218 -3.4642 63.546000 Cu 0.26107 0.0388769 4.19547e-19 229 63.546 0.606446 -3.49277 63.546000 Cu 0.252326 0.0145191 0.5 230 63.546 1.15579 -3.49474 63.546000 Cu 0.349103 0.0145483 1 232 63.546 6.82708 -3.22265 63.546000 Cu 0.466315 0.0305722 5.39417e-19 233 63.546 9.18703 -3.28012 63.546000 Cu 0.36716 0.0354088 0.5 235 63.546 3.6284 -3.43363 63.546000 Cu 0.382241 0.0580122 5.39417e-19 253 63.546 0.0728428 -3.51493 63.546000 Cu 0.485206 0.0526942 0.5 255 63.546 0.670768 -3.44903 63.546000 Cu 0.283175 0.0623358 0.5 251 63.546 0.13118 -3.52515 63.546000 Cu 0.651087 0.0145068 7.85152e-18 210 63.546 2.3031 -3.51232 63.546000 Cu 0.552043 0.0148837 0.5 211 63.546 8.03263 -3.45875 63.546000 Cu 0.580479 0.0458561 1 216 63.546 0.736936 -3.41654 63.546000 Cu 0.666369 0.0406067 0.5 218 63.546 0.525218 -3.4642 63.546000 Cu 0.752326 0.0145191 0.5 213 63.546 1.15579 -3.49474 63.546000 Cu 0.76107 0.0388769 5.95757e-17 220 63.546 0.606446 -3.49277 63.546000 Cu 0.849103 0.0145483 3.80169e-16 212 63.546 6.82708 -3.22265 63.546000 Cu 0.882241 0.0580122 7.14428e-17 221 63.546 0.0728428 -3.51493 63.546000 Cu 0.86716 0.0354088 0.5 222 63.546 3.6284 -3.43363 63.546000 Cu 0.966315 0.0305722 0 224 63.546 9.18703 -3.28012 63.546000 Cu 0.985206 0.0526942 0.5 227 63.546 0.670768 -3.44903 63.546000 Cu 0.783175 0.0623358 0.5 223 63.546 0.13118 -3.52515 63.546000 Cu 0.113921 0.0959707 1.19871e-19 246 63.546 0.0107392 -3.51858 63.546000 Cu 0.097055 0.0713934 0.5 247 63.546 0.0828076 -3.50181 63.546000 Cu 0.188897 0.0670634 0 249 63.546 0.102988 -3.49215 63.546000 Cu 0.209645 0.0914066 0.5 252 63.546 0.0222066 -3.51475 63.546000 Cu 0.132786 0.120093 0.5 269 63.546 0.00404539 -3.52288 63.546000 Cu 0.229252 0.115324 1.19871e-19 271 63.546 0.00277212 -3.52271 63.546000 Cu 0.000941119 0.0760621 3.87182e-17 245 63.546 0.0523709 -3.52973 63.546000 Cu 0.0182365 0.100303 0.5 248 63.546 0.00757055 -3.52836 63.546000 Cu 0.0368718 0.124679 1.19871e-19 267 63.546 0.00141583 -3.52363 63.546000 Cu 0.305238 0.0863458 1.19871e-19 250 63.546 0.00820864 -3.52348 63.546000 Cu 0.402648 0.0811389 0.5 256 63.546 0.0282105 -3.53132 63.546000 Cu 0.325914 0.110238 0.5 273 63.546 0.00222035 -3.52469 63.546000 Cu 0.422238 0.105094 2.39741e-19 275 63.546 0.00942523 -3.52894 63.546000 Cu 0.500941 0.0760621 1 254 63.546 0.0523709 -3.52973 63.546000 Cu 0.518236 0.100303 0.5 276 63.546 0.00757055 -3.52836 63.546000 Cu 0.688897 0.0670634 0 217 63.546 0.102988 -3.49215 63.546000 Cu 0.597055 0.0713934 0.5 219 63.546 0.0828076 -3.50181 63.546000 Cu 0.613921 0.0959707 2.15767e-17 237 63.546 0.0107392 -3.51858 63.546000 Cu 0.729252 0.115324 1.19871e-19 238 63.546 0.00277212 -3.52271 63.546000 Cu 0.709645 0.0914066 0.5 239 63.546 0.0222066 -3.51475 63.546000 Cu 0.632786 0.120093 0.5 240 63.546 0.00404539 -3.52288 63.546000 Cu 0.536872 0.124679 1 236 63.546 0.00141583 -3.52363 63.546000 Cu 0.805238 0.0863458 1.19871e-19 241 63.546 0.00820864 -3.52348 63.546000 Cu 0.922238 0.105094 4.79482e-19 242 63.546 0.00942523 -3.52894 63.546000 Cu 0.902648 0.0811389 0.5 243 63.546 0.0282105 -3.53132 63.546000 Cu 0.825914 0.110238 0.5 244 63.546 0.00222035 -3.52469 63.546000 Cu 0.152294 0.144133 1.32457e-16 268 63.546 0.00111798 -3.52442 63.546000 Cu 0.056187 0.148895 0.5 270 63.546 0.000894672 -3.52329 63.546000 Cu 0.248791 0.139228 0.5 274 63.546 0.00027222 -3.52541 63.546000 Cu 0.075502 0.173001 0 288 63.546 0.000492941 -3.52405 63.546000 Cu 0.171838 0.168148 0.5 290 63.546 7.93404e-05 -3.52476 63.546000 Cu 0.268216 0.163236 1.79806e-19 292 63.546 0.000563137 -3.52533 63.546000 Cu 0.345294 0.134248 0 272 63.546 0.00197538 -3.52549 63.546000 Cu 0.441305 0.129357 0.5 277 63.546 0.00167621 -3.52493 63.546000 Cu 0.383491 0.182555 3.59612e-19 293 63.546 3.39626e-05 -3.52446 63.546000 Cu 0.364415 0.15837 0.5 294 63.546 0.000771285 -3.52492 63.546000 Cu 0.460324 0.153609 1.09082e-17 296 63.546 0.000128952 -3.52366 63.546000 Cu 0.479434 0.177789 0.5 297 63.546 0.000250925 -3.52392 63.546000 Cu 0.287467 0.187332 0.5 295 63.546 0.000406628 -3.52482 63.546000 Cu 0.575502 0.173001 1.19871e-19 257 63.546 0.000492941 -3.52405 63.546000 Cu 0.556187 0.148895 0.5 258 63.546 0.000894672 -3.52329 63.546000 Cu 0.652294 0.144133 6.32317e-17 259 63.546 0.00111798 -3.52442 63.546000 Cu 0.748791 0.139228 0.5 261 63.546 0.00027222 -3.52541 63.546000 Cu 0.671838 0.168148 0.5 262 63.546 7.93404e-05 -3.52476 63.546000 Cu 0.768216 0.163236 1.22148e-16 260 63.546 0.000563137 -3.52533 63.546000 Cu 0.845294 0.134248 1 263 63.546 0.00197538 -3.52549 63.546000 Cu 0.960324 0.153609 6.79666e-17 264 63.546 0.000128952 -3.52366 63.546000 Cu 0.941305 0.129357 0.5 265 63.546 0.00167621 -3.52493 63.546000 Cu 0.864415 0.15837 0.5 266 63.546 0.000771285 -3.52492 63.546000 Cu 0.883491 0.182555 8.9843e-17 284 63.546 3.39626e-05 -3.52446 63.546000 Cu 0.979434 0.177789 0.5 286 63.546 0.000250925 -3.52392 63.546000 Cu 0.787467 0.187332 0.5 282 63.546 0.000406628 -3.52482 63.546000 Cu 0.191253 0.192178 1.79806e-19 289 63.546 0.0002252 -3.52487 63.546000 Cu 0.0949254 0.197068 0.5 291 63.546 0.000100835 -3.52463 63.546000 Cu 0.114487 0.221131 1.1088e-16 310 63.546 8.57293e-05 -3.52487 63.546000 Cu 0.23008 0.240421 1 311 63.546 5.93809e-05 -3.52455 63.546000 Cu 0.210628 0.216277 0.5 312 63.546 0.000247827 -3.52484 63.546000 Cu 0.13401 0.245238 0.5 313 63.546 0.000107917 -3.52482 63.546000 Cu 0.0182557 0.226009 0.5 308 63.546 4.75277e-05 -3.5246 63.546000 Cu 0.306666 0.211485 7.1323e-18 314 63.546 7.75576e-05 -3.52454 63.546000 Cu 0.422088 0.230853 1.79806e-19 315 63.546 0.000217757 -3.52439 63.546000 Cu 0.402686 0.206725 0.5 316 63.546 0.0001772 -3.52432 63.546000 Cu 0.32606 0.235642 0.5 317 63.546 3.44935e-05 -3.52432 63.546000 Cu 0.498732 0.201926 1.19871e-19 318 63.546 0.000359004 -3.52431 63.546000 Cu 0.518256 0.226009 0.5 319 63.546 4.75277e-05 -3.5246 63.546000 Cu 0.614487 0.221131 0 278 63.546 8.57293e-05 -3.52487 63.546000 Cu 0.594925 0.197068 0.5 279 63.546 0.000100835 -3.52463 63.546000 Cu 0.691253 0.192178 0 280 63.546 0.0002252 -3.52487 63.546000 Cu 0.710628 0.216277 0.5 283 63.546 0.000247827 -3.52484 63.546000 Cu 0.63401 0.245238 0.5 300 63.546 0.000107917 -3.52482 63.546000 Cu 0.73008 0.240421 1 302 63.546 5.93809e-05 -3.52455 63.546000 Cu 0.806666 0.211485 1 281 63.546 7.75576e-05 -3.52454 63.546000 Cu 0.998732 0.201926 1.22208e-16 285 63.546 0.000359004 -3.52431 63.546000 Cu 0.902686 0.206725 0.5 287 63.546 0.0001772 -3.52432 63.546000 Cu 0.82606 0.235642 0.5 304 63.546 3.44935e-05 -3.52432 63.546000 Cu 0.922088 0.230853 0 306 63.546 0.000217757 -3.52439 63.546000 Cu 0.0378428 0.250082 3.02673e-17 307 63.546 4.13093e-05 -3.52485 63.546000 Cu 0.0767377 0.298287 1 329 63.546 0.000125687 -3.52453 63.546000 Cu 0.0573042 0.274178 0.5 330 63.546 6.5373e-05 -3.52484 63.546000 Cu 0.15347 0.269355 1.19871e-19 332 63.546 0.000115622 -3.52452 63.546000 Cu 0.249511 0.264573 0.5 334 63.546 1.9164e-05 -3.52432 63.546000 Cu 0.172809 0.293489 0.5 335 63.546 3.95069e-05 -3.52431 63.546000 Cu 0.268834 0.288721 1.19871e-19 333 63.546 8.96997e-05 -3.52443 63.546000 Cu 0.345518 0.259786 1.22568e-16 336 63.546 0.000125143 -3.5244 63.546000 Cu 0.461121 0.279039 1 337 63.546 2.8692e-06 -3.52489 63.546000 Cu 0.441624 0.254947 0.5 338 63.546 5.40079e-05 -3.52464 63.546000 Cu 0.364972 0.283904 0.5 339 63.546 0.000115242 -3.52483 63.546000 Cu 0.38434 0.308003 1.58529e-16 357 63.546 7.34244e-05 -3.52487 63.546000 Cu 0.480596 0.303132 0.5 359 63.546 8.14532e-05 -3.52471 63.546000 Cu 0.537843 0.250082 8.9783e-17 298 63.546 4.13093e-05 -3.52485 63.546000 Cu 0.65347 0.269355 5.87366e-18 299 63.546 0.000115622 -3.52452 63.546000 Cu 0.557304 0.274178 0.5 301 63.546 6.5373e-05 -3.52484 63.546000 Cu 0.749511 0.264573 0.5 305 63.546 1.9164e-05 -3.52432 63.546000 Cu 0.576738 0.298287 1.88676e-16 320 63.546 0.000125687 -3.52453 63.546000 Cu 0.672809 0.293489 0.5 322 63.546 3.95069e-05 -3.52431 63.546000 Cu 0.768834 0.288721 1.79806e-19 324 63.546 8.96997e-05 -3.52443 63.546000 Cu 0.845518 0.259786 3.20654e-17 303 63.546 0.000125143 -3.5244 63.546000 Cu 0.941624 0.254947 0.5 309 63.546 5.40079e-05 -3.52464 63.546000 Cu 0.88434 0.308003 4.19547e-19 325 63.546 7.34244e-05 -3.52487 63.546000 Cu 0.864972 0.283904 0.5 326 63.546 0.000115242 -3.52483 63.546000 Cu 0.961121 0.279039 1.19871e-19 328 63.546 2.8692e-06 -3.52489 63.546000 Cu 0.980596 0.303132 0.5 331 63.546 8.14532e-05 -3.52471 63.546000 Cu 0.115162 0.346539 2.39741e-19 350 63.546 1.32894e-05 -3.52427 63.546000 Cu 0.0960534 0.322406 0.5 351 63.546 0.000130365 -3.52424 63.546000 Cu 0.192072 0.317636 7.55784e-17 353 63.546 2.4494e-05 -3.52437 63.546000 Cu 0.211284 0.341776 0.5 356 63.546 0.000217705 -3.52472 63.546000 Cu 0.134183 0.370688 0.5 373 63.546 0.000313467 -3.52471 63.546000 Cu 0.230372 0.365878 1 375 63.546 0.000458039 -3.5254 63.546000 Cu 0.0191119 0.351298 0.5 352 63.546 0.000270438 -3.52384 63.546000 Cu 0.307433 0.336947 5.93359e-18 354 63.546 0.000185634 -3.52481 63.546000 Cu 0.288132 0.312844 0.5 355 63.546 0.00015982 -3.52461 63.546000 Cu 0.499913 0.327203 0 358 63.546 0.000203305 -3.5243 63.546000 Cu 0.403649 0.332062 0.5 360 63.546 1.54921e-05 -3.52465 63.546000 Cu 0.326721 0.361009 0.5 377 63.546 0.00011428 -3.52494 63.546000 Cu 0.42302 0.356121 0 379 63.546 0.000240152 -3.52419 63.546000 Cu 0.519112 0.351298 0.5 380 63.546 0.000270438 -3.52384 63.546000 Cu 0.692072 0.317636 1.22328e-16 321 63.546 2.4494e-05 -3.52437 63.546000 Cu 0.596053 0.322406 0.5 323 63.546 0.000130365 -3.52424 63.546000 Cu 0.615162 0.346539 4.85476e-17 341 63.546 1.32894e-05 -3.52427 63.546000 Cu 0.730372 0.365878 2.99676e-19 342 63.546 0.000458039 -3.5254 63.546000 Cu 0.711284 0.341776 0.5 343 63.546 0.000217705 -3.52472 63.546000 Cu 0.634183 0.370688 0.5 344 63.546 0.000313467 -3.52471 63.546000 Cu 0.788132 0.312844 0.5 327 63.546 0.00015982 -3.52461 63.546000 Cu 0.807433 0.336947 5.39417e-19 345 63.546 0.000185634 -3.52481 63.546000 Cu 0.92302 0.356121 1 346 63.546 0.000240152 -3.52419 63.546000 Cu 0.903649 0.332062 0.5 347 63.546 1.54921e-05 -3.52465 63.546000 Cu 0.826721 0.361009 0.5 348 63.546 0.00011428 -3.52494 63.546000 Cu 0.999913 0.327203 2.39741e-19 349 63.546 0.000203305 -3.5243 63.546000 Cu 0.0382947 0.375445 1.79806e-19 371 63.546 0.000235885 -3.52333 63.546000 Cu 0.15315 0.394838 1 372 63.546 0.00197661 -3.5253 63.546000 Cu 0.0572474 0.399682 0.5 374 63.546 0.00089265 -3.52452 63.546000 Cu 0.24955 0.389915 0.5 378 63.546 0.000647449 -3.52548 63.546000 Cu 0.0763121 0.423991 1.27662e-17 392 63.546 0.00873662 -3.5287 63.546000 Cu 0.172426 0.418895 0.5 394 63.546 0.00372839 -3.52459 63.546000 Cu 0.269088 0.413814 2.60718e-17 396 63.546 0.00204093 -3.52296 63.546000 Cu 0.346145 0.385009 8.12722e-17 376 63.546 0.000520219 -3.52459 63.546000 Cu 0.442383 0.380197 0.5 381 63.546 0.000938244 -3.52321 63.546000 Cu 0.384778 0.433069 1.22448e-16 397 63.546 0.0127048 -3.51896 63.546000 Cu 0.36567 0.409005 0.5 398 63.546 0.0035081 -3.52309 63.546000 Cu 0.461699 0.404364 3.17657e-18 400 63.546 0.0017939 -3.52337 63.546000 Cu 0.480455 0.428727 0.5 401 63.546 0.00510472 -3.52802 63.546000 Cu 0.538295 0.375445 0 340 63.546 0.000235885 -3.52333 63.546000 Cu 0.576312 0.423991 1.79806e-19 361 63.546 0.00873662 -3.5287 63.546000 Cu 0.557247 0.399682 0.5 362 63.546 0.00089265 -3.52452 63.546000 Cu 0.65315 0.394838 1 363 63.546 0.00197661 -3.5253 63.546000 Cu 0.74955 0.389915 0.5 365 63.546 0.000647449 -3.52548 63.546000 Cu 0.672426 0.418895 0.5 366 63.546 0.00372839 -3.52459 63.546000 Cu 0.769088 0.413814 5.99353e-19 364 63.546 0.00204093 -3.52296 63.546000 Cu 0.846145 0.385009 5.99353e-19 367 63.546 0.000520219 -3.52459 63.546000 Cu 0.961699 0.404364 7.19223e-19 368 63.546 0.0017939 -3.52337 63.546000 Cu 0.942383 0.380197 0.5 369 63.546 0.000938244 -3.52321 63.546000 Cu 0.86567 0.409005 0.5 370 63.546 0.0035081 -3.52309 63.546000 Cu 0.884778 0.433069 4.79482e-19 388 63.546 0.0127048 -3.51896 63.546000 Cu 0.980455 0.428727 0.5 390 63.546 0.00510472 -3.52802 63.546000 Cu 0.193293 0.442824 1 393 63.546 0.00658409 -3.52386 63.546000 Cu 0.0960061 0.448015 0.5 395 63.546 0.0286655 -3.53154 63.546000 Cu 0.116523 0.471218 1.26463e-17 409 63.546 0.0691666 -3.51635 63.546000 Cu 0.238401 0.490214 5.07652e-17 410 63.546 0.62053 -3.48904 63.546000 Cu 0.215571 0.466864 0.5 411 63.546 0.126236 -3.52531 63.546000 Cu 0.131728 0.49386 0.5 412 63.546 3.77972 -3.43363 63.546000 Cu 0.0137947 0.476485 0.5 408 63.546 0.720943 -3.45064 63.546000 Cu 0.0325851 0.498764 1.22448e-16 407 63.546 9.29191 -3.28498 63.546000 Cu 0.497981 0.453018 0 3 63.546 0.0468023 -3.52987 63.546000 Cu 0.333162 0.488421 0.5 7 63.546 0.557822 -3.45964 63.546000 Cu 0.401974 0.457621 0.5 9 63.546 0.0798385 -3.50201 63.546000 Cu 0.418819 0.483144 5.8317e-17 204 63.546 0.799444 -3.41007 63.546000 Cu 0.310041 0.461995 1.22268e-16 208 63.546 0.108056 -3.49219 63.546000 Cu 0.288855 0.437716 0.5 399 63.546 0.0205796 -3.51555 63.546000 Cu 0.513795 0.476485 0.5 1 63.546 0.720943 -3.45064 63.546000 Cu 0.616523 0.471218 0 382 63.546 0.0691666 -3.51635 63.546000 Cu 0.596006 0.448015 0.5 383 63.546 0.0286655 -3.53154 63.546000 Cu 0.693293 0.442824 2.52927e-17 384 63.546 0.00658409 -3.52386 63.546000 Cu 0.715571 0.466864 0.5 387 63.546 0.126236 -3.52531 63.546000 Cu 0.631728 0.49386 0.5 403 63.546 3.77972 -3.43363 63.546000 Cu 0.738401 0.490214 4.56707e-17 404 63.546 0.62053 -3.48904 63.546000 Cu 0.532585 0.498764 3.63208e-17 402 63.546 9.29191 -3.28498 63.546000 Cu 0.810041 0.461995 4.79482e-17 385 63.546 0.108056 -3.49219 63.546000 Cu 0.788855 0.437716 0.5 386 63.546 0.0205796 -3.51555 63.546000 Cu 0.997981 0.453018 4.80081e-17 389 63.546 0.0468023 -3.52987 63.546000 Cu 0.901974 0.457621 0.5 391 63.546 0.0798385 -3.50201 63.546000 Cu 0.833162 0.488421 0.5 405 63.546 0.557822 -3.45964 63.546000 Cu 0.918819 0.483144 1 406 63.546 0.799444 -3.41007 63.546000 Cu 0.151166 0.514603 5.61773e-16 2 63.546 6.83373 -3.22297 63.546000 Cu 0.0338337 0.530545 2.05758e-16 18 63.546 9.20172 -3.28012 63.546000 Cu 0.118041 0.558053 1.84241e-16 19 63.546 0.0716278 -3.51519 63.546000 Cu 0.133111 0.535455 0.5 20 63.546 3.64321 -3.43313 63.546000 Cu 0.0150559 0.552715 0.5 21 63.546 0.682893 -3.44873 63.546000 Cu 0.21718 0.562394 0.5 25 63.546 0.13224 -3.5252 63.546000 Cu 0.247957 0.514569 0.5 5 63.546 1.15374 -3.49513 63.546000 Cu 0.239192 0.538938 1.21609e-16 22 63.546 0.608288 -3.49274 63.546000 Cu 0.349089 0.514527 1.84001e-17 4 63.546 2.27911 -3.51192 63.546000 Cu 0.448148 0.514762 0.5 6 63.546 7.99393 -3.45789 63.546000 Cu 0.333902 0.540648 0.5 24 63.546 0.531802 -3.46306 63.546000 Cu 0.419735 0.54588 1 26 63.546 0.756242 -3.41482 63.546000 Cu 0.533834 0.530545 9.10417e-17 8 63.546 9.20172 -3.28012 63.546000 Cu 0.651166 0.514603 3.6141e-16 10 63.546 6.83373 -3.22297 63.546000 Cu 0.633111 0.535455 0.5 13 63.546 3.64321 -3.43313 63.546000 Cu 0.515056 0.552715 0.5 29 63.546 0.682893 -3.44873 63.546000 Cu 0.618041 0.558053 1.21729e-16 30 63.546 0.0716278 -3.51519 63.546000 Cu 0.71718 0.562394 0.5 32 63.546 0.13224 -3.5252 63.546000 Cu 0.739192 0.538938 5.66988e-17 11 63.546 0.608288 -3.49274 63.546000 Cu 0.747957 0.514569 0.5 12 63.546 1.15374 -3.49513 63.546000 Cu 0.849089 0.514527 1.19871e-19 14 63.546 2.27911 -3.51192 63.546000 Cu 0.919735 0.54588 1.19871e-19 15 63.546 0.756242 -3.41482 63.546000 Cu 0.948148 0.514762 0.5 16 63.546 7.99393 -3.45789 63.546000 Cu 0.833902 0.540648 0.5 17 63.546 0.531802 -3.46306 63.546000 Cu 0.0781901 0.605129 1.61825e-18 39 63.546 0.00951829 -3.52897 63.546000 Cu 0.0977254 0.581176 0.5 40 63.546 0.028295 -3.53125 63.546000 Cu 0.195154 0.586392 1.79806e-19 42 63.546 0.00817614 -3.52354 63.546000 Cu 0.174545 0.610274 0.5 45 63.546 0.00195898 -3.52461 63.546000 Cu 0.311452 0.567119 0 23 63.546 0.105307 -3.49198 63.546000 Cu 0.403301 0.571431 0.5 27 63.546 0.0825969 -3.50148 63.546000 Cu 0.271198 0.615367 1 43 63.546 0.00283034 -3.52273 63.546000 Cu 0.290801 0.591459 0.5 44 63.546 0.022604 -3.51475 63.546000 Cu 0.386543 0.596018 0 46 63.546 0.0113665 -3.51851 63.546000 Cu 0.367652 0.620142 0.5 47 63.546 0.00434734 -3.52274 63.546000 Cu 0.46356 0.624714 5.99353e-20 48 63.546 0.00145747 -3.52346 63.546000 Cu 0.499425 0.576088 1.22448e-16 28 63.546 0.0536583 -3.52943 63.546000 Cu 0.482176 0.600343 0.5 49 63.546 0.00762823 -3.52834 63.546000 Cu 0.695154 0.586392 2.39741e-19 31 63.546 0.00817614 -3.52354 63.546000 Cu 0.597725 0.581176 0.5 33 63.546 0.028295 -3.53125 63.546000 Cu 0.57819 0.605129 1 50 63.546 0.00951829 -3.52897 63.546000 Cu 0.674545 0.610274 0.5 52 63.546 0.00195898 -3.52461 63.546000 Cu 0.999425 0.576088 3.32641e-17 38 63.546 0.0536583 -3.52943 63.546000 Cu 0.982176 0.600343 0.5 41 63.546 0.00762823 -3.52834 63.546000 Cu 0.811452 0.567119 3.1526e-17 34 63.546 0.105307 -3.49198 63.546000 Cu 0.886543 0.596018 0 35 63.546 0.0113665 -3.51851 63.546000 Cu 0.903301 0.571431 0.5 36 63.546 0.0825969 -3.50148 63.546000 Cu 0.790801 0.591459 0.5 37 63.546 0.022604 -3.51475 63.546000 Cu 0.771198 0.615367 1.19871e-19 54 63.546 0.00283034 -3.52273 63.546000 Cu 0.867652 0.620142 0.5 56 63.546 0.00434734 -3.52274 63.546000 Cu 0.96356 0.624714 4.14752e-17 58 63.546 0.00145747 -3.52346 63.546000 Cu 0.0400471 0.653625 2.69709e-17 59 63.546 0.00016433 -3.52371 63.546000 Cu 0.0591346 0.629379 0.5 60 63.546 0.00179382 -3.5249 63.546000 Cu 0.155116 0.634269 2.39741e-19 62 63.546 0.00211066 -3.52556 63.546000 Cu 0.135948 0.658393 0.5 65 63.546 0.000713692 -3.52503 63.546000 Cu 0.0208469 0.677798 0.5 80 63.546 0.000193502 -3.5239 63.546000 Cu 0.116811 0.682558 5.99353e-20 82 63.546 4.49562e-05 -3.52447 63.546000 Cu 0.21284 0.687346 0.5 84 63.546 0.000378877 -3.52497 63.546000 Cu 0.232121 0.66326 5.02857e-17 63 63.546 0.000588301 -3.52551 63.546000 Cu 0.251629 0.639261 0.5 64 63.546 0.000282576 -3.52547 63.546000 Cu 0.348123 0.644168 1.91793e-18 66 63.546 0.00122415 -3.52439 63.546000 Cu 0.424818 0.673024 0 67 63.546 0.000518686 -3.5239 63.546000 Cu 0.444228 0.648922 0.5 68 63.546 0.000939185 -3.5232 63.546000 Cu 0.328524 0.668173 0.5 69 63.546 0.000103111 -3.52486 63.546000 Cu 0.655116 0.634269 2.99676e-19 51 63.546 0.00211066 -3.52556 63.546000 Cu 0.559135 0.629379 0.5 53 63.546 0.00179382 -3.5249 63.546000 Cu 0.540047 0.653625 0 70 63.546 0.00016433 -3.52371 63.546000 Cu 0.616811 0.682558 1 71 63.546 4.49562e-05 -3.52447 63.546000 Cu 0.635948 0.658393 0.5 72 63.546 0.000713692 -3.52503 63.546000 Cu 0.520847 0.677798 0.5 73 63.546 0.000193502 -3.5239 63.546000 Cu 0.71284 0.687346 0.5 77 63.546 0.000378877 -3.52497 63.546000 Cu 0.732121 0.66326 2.99676e-19 74 63.546 0.000588301 -3.52551 63.546000 Cu 0.848123 0.644168 0 55 63.546 0.00122415 -3.52439 63.546000 Cu 0.751629 0.639261 0.5 57 63.546 0.000282576 -3.52547 63.546000 Cu 0.944228 0.648922 0.5 61 63.546 0.000939185 -3.5232 63.546000 Cu 0.828524 0.668173 0.5 76 63.546 0.000103111 -3.52486 63.546000 Cu 0.924818 0.673024 0 78 63.546 0.000518686 -3.5239 63.546000 Cu 0.00156701 0.701924 2.39741e-19 79 63.546 0.000277255 -3.52421 63.546000 Cu 0.193678 0.711482 1.79806e-19 83 63.546 5.08059e-05 -3.52457 63.546000 Cu 0.0976095 0.706713 0.5 85 63.546 8.38384e-05 -3.52425 63.546000 Cu 0.0783207 0.730825 4.9986e-17 102 63.546 0.00014872 -3.52424 63.546000 Cu 0.174398 0.735616 0.5 104 63.546 6.74596e-05 -3.52433 63.546000 Cu 0.309066 0.692199 1.31618e-16 86 63.546 0.000175483 -3.52491 63.546000 Cu 0.385926 0.72114 6.86858e-17 87 63.546 3.96653e-05 -3.52476 63.546000 Cu 0.405345 0.697075 0.5 88 63.546 4.06476e-05 -3.52451 63.546000 Cu 0.289767 0.716287 0.5 89 63.546 0.000139139 -3.52475 63.546000 Cu 0.270412 0.740408 2.99676e-19 106 63.546 5.55993e-05 -3.52463 63.546000 Cu 0.366515 0.745237 0.5 108 63.546 4.09662e-05 -3.52481 63.546000 Cu 0.482148 0.725997 0.5 93 63.546 3.99307e-05 -3.52443 63.546000 Cu 0.501567 0.701924 2.28953e-17 90 63.546 0.000277255 -3.52421 63.546000 Cu 0.578321 0.730825 1.19871e-19 91 63.546 0.00014872 -3.52424 63.546000 Cu 0.59761 0.706713 0.5 92 63.546 8.38384e-05 -3.52425 63.546000 Cu 0.693678 0.711482 5.99353e-20 94 63.546 5.08059e-05 -3.52457 63.546000 Cu 0.674398 0.735616 0.5 97 63.546 6.74596e-05 -3.52433 63.546000 Cu 0.982148 0.725997 0.5 100 63.546 3.99307e-05 -3.52443 63.546000 Cu 0.809066 0.692199 5.99353e-20 75 63.546 0.000175483 -3.52491 63.546000 Cu 0.905345 0.697075 0.5 81 63.546 4.06476e-05 -3.52451 63.546000 Cu 0.770412 0.740408 1.49239e-17 95 63.546 5.55993e-05 -3.52463 63.546000 Cu 0.789767 0.716287 0.5 96 63.546 0.000139139 -3.52475 63.546000 Cu 0.885926 0.72114 3.60211e-17 98 63.546 3.96653e-05 -3.52476 63.546000 Cu 0.866515 0.745237 0.5 101 63.546 4.09662e-05 -3.52481 63.546000 Cu 0.15492 0.759741 1.19871e-19 103 63.546 3.92509e-05 -3.52447 63.546000 Cu 0.0588389 0.75491 0.5 105 63.546 2.6225e-05 -3.52451 63.546000 Cu 0.0393435 0.779006 1.22208e-16 122 63.546 5.01137e-06 -3.52474 63.546000 Cu 0.116072 0.80796 1.14297e-16 123 63.546 3.83684e-05 -3.52485 63.546000 Cu 0.135452 0.783854 0.5 124 63.546 4.33473e-05 -3.52471 63.546000 Cu 0.0198608 0.803109 0.5 125 63.546 4.76803e-05 -3.52476 63.546000 Cu 0.231592 0.788676 1.79806e-19 126 63.546 3.23126e-05 -3.52448 63.546000 Cu 0.462658 0.750069 5.99353e-20 111 63.546 1.83904e-05 -3.52474 63.546000 Cu 0.347038 0.769347 1 107 63.546 5.05568e-05 -3.52462 63.546000 Cu 0.250983 0.764549 0.5 109 63.546 8.6735e-06 -3.52456 63.546000 Cu 0.443207 0.774166 0.5 110 63.546 2.3845e-05 -3.52476 63.546000 Cu 0.327676 0.79347 0.5 128 63.546 9.93605e-06 -3.52427 63.546000 Cu 0.423726 0.798274 1 130 63.546 7.15301e-05 -3.52453 63.546000 Cu 0.539344 0.779006 6.6648e-17 112 63.546 5.01137e-06 -3.52474 63.546000 Cu 0.558839 0.75491 0.5 113 63.546 2.6225e-05 -3.52451 63.546000 Cu 0.65492 0.759741 1 114 63.546 3.92509e-05 -3.52447 63.546000 Cu 0.635452 0.783854 0.5 117 63.546 4.33473e-05 -3.52471 63.546000 Cu 0.519861 0.803109 0.5 133 63.546 4.76803e-05 -3.52476 63.546000 Cu 0.616072 0.80796 0 134 63.546 3.83684e-05 -3.52485 63.546000 Cu 0.731592 0.788676 2.94282e-17 115 63.546 3.23126e-05 -3.52448 63.546000 Cu 0.962658 0.750069 1.22328e-16 99 63.546 1.83904e-05 -3.52474 63.546000 Cu 0.750983 0.764549 0.5 116 63.546 8.6735e-06 -3.52456 63.546000 Cu 0.847038 0.769347 0 118 63.546 5.05568e-05 -3.52462 63.546000 Cu 0.923726 0.798274 0 119 63.546 7.15301e-05 -3.52453 63.546000 Cu 0.943207 0.774166 0.5 120 63.546 2.3845e-05 -3.52476 63.546000 Cu 0.827676 0.79347 0.5 121 63.546 9.93605e-06 -3.52427 63.546000 Cu 0.212265 0.812788 0.5 129 63.546 4.62379e-05 -3.52481 63.546000 Cu 0.000513494 0.827201 2.99676e-19 142 63.546 9.77753e-05 -3.52434 63.546000 Cu 0.0773883 0.856114 4.86075e-17 143 63.546 0.000183817 -3.5241 63.546000 Cu 0.0967332 0.832038 0.5 144 63.546 2.28955e-05 -3.52467 63.546000 Cu 0.192982 0.836912 1 146 63.546 0.000145605 -3.52498 63.546000 Cu 0.17365 0.860983 0.5 149 63.546 7.25864e-05 -3.52502 63.546000 Cu 0.308356 0.8176 1.99584e-17 127 63.546 1.87186e-05 -3.5244 63.546000 Cu 0.404359 0.822401 0.5 131 63.546 0.000118159 -3.52427 63.546000 Cu 0.269987 0.865855 1.19871e-19 147 63.546 0.000353594 -3.52552 63.546000 Cu 0.289119 0.841745 0.5 148 63.546 0.000143238 -3.52476 63.546000 Cu 0.385226 0.846529 1 150 63.546 1.81216e-05 -3.5243 63.546000 Cu 0.366186 0.870685 0.5 151 63.546 0.000312147 -3.52485 63.546000 Cu 0.481297 0.851301 0.5 153 63.546 0.000181973 -3.52377 63.546000 Cu 0.712265 0.812788 0.5 136 63.546 4.62379e-05 -3.52481 63.546000 Cu 0.500513 0.827201 5.71183e-17 132 63.546 9.77753e-05 -3.52434 63.546000 Cu 0.692982 0.836912 0 135 63.546 0.000145605 -3.52498 63.546000 Cu 0.596733 0.832038 0.5 137 63.546 2.28955e-05 -3.52467 63.546000 Cu 0.577388 0.856114 8.92436e-17 154 63.546 0.000183817 -3.5241 63.546000 Cu 0.67365 0.860983 0.5 156 63.546 7.25864e-05 -3.52502 63.546000 Cu 0.981297 0.851301 0.5 145 63.546 0.000181973 -3.52377 63.546000 Cu 0.808356 0.8176 1.22268e-16 138 63.546 1.87186e-05 -3.5244 63.546000 Cu 0.885226 0.846529 1.79806e-19 139 63.546 1.81216e-05 -3.5243 63.546000 Cu 0.904359 0.822401 0.5 140 63.546 0.000118159 -3.52427 63.546000 Cu 0.789119 0.841745 0.5 141 63.546 0.000143238 -3.52476 63.546000 Cu 0.769987 0.865855 1 158 63.546 0.000353594 -3.52552 63.546000 Cu 0.866186 0.870685 0.5 160 63.546 0.000312147 -3.52485 63.546000 Cu 0.0386464 0.904374 2.39741e-19 163 63.546 0.00181705 -3.52344 63.546000 Cu 0.0579769 0.880198 0.5 164 63.546 0.000889504 -3.52313 63.546000 Cu 0.154199 0.885009 1.80405e-17 166 63.546 0.00052278 -3.52462 63.546000 Cu 0.134685 0.909004 0.5 169 63.546 0.00360132 -3.52313 63.546000 Cu 0.0198845 0.928742 0.5 184 63.546 0.0054579 -3.528 63.546000 Cu 0.115611 0.933074 2.16966e-17 186 63.546 0.0122718 -3.51889 63.546000 Cu 0.231276 0.91381 1.55232e-17 167 63.546 0.00216659 -3.52294 63.546000 Cu 0.462081 0.875448 0 152 63.546 0.000236461 -3.52336 63.546000 Cu 0.250794 0.889907 0.5 168 63.546 0.000633466 -3.52548 63.546000 Cu 0.347173 0.894835 2.37344e-17 170 63.546 0.00182034 -3.52531 63.546000 Cu 0.424018 0.924008 1.22088e-16 171 63.546 0.00902178 -3.52869 63.546000 Cu 0.443097 0.899692 0.5 172 63.546 0.000993721 -3.52463 63.546000 Cu 0.327911 0.918895 0.5 173 63.546 0.00354181 -3.52465 63.546000 Cu 0.654199 0.885009 0 155 63.546 0.00052278 -3.52462 63.546000 Cu 0.557977 0.880198 0.5 157 63.546 0.000889504 -3.52313 63.546000 Cu 0.538646 0.904374 1 174 63.546 0.00181705 -3.52344 63.546000 Cu 0.615611 0.933074 0 175 63.546 0.0122718 -3.51889 63.546000 Cu 0.634685 0.909004 0.5 176 63.546 0.00360132 -3.52313 63.546000 Cu 0.519885 0.928742 0.5 177 63.546 0.0054579 -3.528 63.546000 Cu 0.731276 0.91381 0 178 63.546 0.00216659 -3.52294 63.546000 Cu 0.962081 0.875448 1 162 63.546 0.000236461 -3.52336 63.546000 Cu 0.847173 0.894835 0 159 63.546 0.00182034 -3.52531 63.546000 Cu 0.750794 0.889907 0.5 161 63.546 0.000633466 -3.52548 63.546000 Cu 0.943097 0.899692 0.5 165 63.546 0.000993721 -3.52463 63.546000 Cu 0.827911 0.918895 0.5 180 63.546 0.00354181 -3.52465 63.546000 Cu 0.924018 0.924008 1.22508e-16 182 63.546 0.00902178 -3.52869 63.546000 Cu 0.21153 0.937714 0.5 188 63.546 0.0206217 -3.51539 63.546000 Cu 0.00241018 0.953021 0 183 63.546 0.0458553 -3.53001 63.546000 Cu 0.190329 0.961981 1 187 63.546 0.109643 -3.49176 63.546000 Cu 0.0984047 0.957611 0.5 189 63.546 0.0809532 -3.50187 63.546000 Cu 0.0815164 0.983122 0 205 63.546 0.818802 -3.40784 63.546000 Cu 0.167136 0.988417 0.5 206 63.546 0.570426 -3.45883 63.546000 Cu 0.368655 0.993842 0.5 234 63.546 3.78215 -3.43255 63.546000 Cu 0.467944 0.998759 1 209 63.546 9.30092 -3.2858 63.546000 Cu 0.307091 0.942835 0 190 63.546 0.00656715 -3.52392 63.546000 Cu 0.383914 0.971232 1 191 63.546 0.068153 -3.51634 63.546000 Cu 0.40436 0.948027 0.5 192 63.546 0.0288285 -3.53161 63.546000 Cu 0.284815 0.966851 0.5 193 63.546 0.126752 -3.5253 63.546000 Cu 0.261902 0.990187 1 207 63.546 0.627623 -3.48808 63.546000 Cu 0.486612 0.976498 0.5 197 63.546 0.73617 -3.44983 63.546000 Cu 0.71153 0.937714 0.5 181 63.546 0.0206217 -3.51539 63.546000 Cu 0.50241 0.953021 1 194 63.546 0.0458553 -3.53001 63.546000 Cu 0.581516 0.983122 1 195 63.546 0.818802 -3.40784 63.546000 Cu 0.598405 0.957611 0.5 196 63.546 0.0809532 -3.50187 63.546000 Cu 0.690329 0.961981 2.84693e-17 198 63.546 0.109643 -3.49176 63.546000 Cu 0.667136 0.988417 0.5 201 63.546 0.570426 -3.45883 63.546000 Cu 0.967944 0.998759 4.55508e-17 214 63.546 9.30092 -3.2858 63.546000 Cu 0.868655 0.993842 0.5 215 63.546 3.78215 -3.43255 63.546000 Cu 0.986612 0.976498 0.5 203 63.546 0.73617 -3.44983 63.546000 Cu 0.807091 0.942835 0 179 63.546 0.00656715 -3.52392 63.546000 Cu 0.90436 0.948027 0.5 185 63.546 0.0288285 -3.53161 63.546000 Cu 0.761902 0.990187 9.1701e-18 199 63.546 0.627623 -3.48808 63.546000 Cu 0.784815 0.966851 0.5 200 63.546 0.126752 -3.5253 63.546000 Cu 0.883914 0.971232 2.27155e-17 202 63.546 0.068153 -3.51634