Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.3814 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 73.7335 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61597 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 0.150686 0.00461714 9.39691e-17 214 63.546 2.32375 -3.5108 63.546000 Cu 0.0517443 0.00453812 0.5 215 63.546 8.03844 -3.45488 63.546000 Cu 0.0808772 0.036014 9.62478e-18 222 63.546 0.785726 -3.40893 63.546000 Cu 0.189601 0.0571759 1.79902e-19 223 63.546 0.108581 -3.49203 63.546000 Cu 0.166536 0.0307193 0.5 224 63.546 0.557479 -3.45931 63.546000 Cu 0.0977318 0.0615521 0.5 225 63.546 0.0822406 -3.50154 63.546000 Cu 0.348903 0.00460592 1 216 63.546 6.84548 -3.22496 63.546000 Cu 0.252046 0.00460762 0.5 217 63.546 1.15212 -3.49511 63.546000 Cu 0.261309 0.0289358 0 226 63.546 0.621627 -3.49098 63.546000 Cu 0.383083 0.047987 0 227 63.546 0.0706069 -3.51651 63.546000 Cu 0.367872 0.0253715 0.5 228 63.546 3.72473 -3.43319 63.546000 Cu 0.284051 0.0523464 0.5 229 63.546 0.127275 -3.5253 63.546000 Cu 0.467124 0.0204847 1 230 63.546 9.2596 -3.28599 63.546000 Cu 0.485847 0.0427317 0.5 233 63.546 0.715759 -3.45055 63.546000 Cu 0.580877 0.036014 1.36426e-17 231 63.546 0.785726 -3.40893 63.546000 Cu 0.551744 0.00453812 0.5 232 63.546 8.03844 -3.45488 63.546000 Cu 0.650686 0.00461714 0 234 63.546 2.32375 -3.5108 63.546000 Cu 0.666536 0.0307193 0.5 237 63.546 0.557479 -3.45931 63.546000 Cu 0.689601 0.0571759 0 255 63.546 0.108581 -3.49203 63.546000 Cu 0.597732 0.0615521 0.5 253 63.546 0.0822406 -3.50154 63.546000 Cu 0.848903 0.00460592 4.87056e-16 211 63.546 6.84548 -3.22496 63.546000 Cu 0.967124 0.0204847 7.43597e-17 212 63.546 9.2596 -3.28599 63.546000 Cu 0.867872 0.0253715 0.5 213 63.546 3.72473 -3.43319 63.546000 Cu 0.883083 0.047987 2.9552e-16 218 63.546 0.0706069 -3.51651 63.546000 Cu 0.985847 0.0427317 0.5 220 63.546 0.715759 -3.45055 63.546000 Cu 0.761309 0.0289358 8.99512e-20 235 63.546 0.621627 -3.49098 63.546000 Cu 0.752046 0.00460762 0.5 236 63.546 1.15212 -3.49511 63.546000 Cu 0.784051 0.0523464 0.5 257 63.546 0.127275 -3.5253 63.546000 Cu 0.00165948 0.0661843 0 219 63.546 0.0464914 -3.52977 63.546000 Cu 0.0381341 0.114836 9.92462e-17 240 63.546 0.00201583 -3.52357 63.546000 Cu 0.0192183 0.0904529 0.5 241 63.546 0.00602573 -3.528 63.546000 Cu 0.114963 0.0861104 0 243 63.546 0.0121945 -3.51902 63.546000 Cu 0.230732 0.1054 3.59805e-19 244 63.546 0.00203864 -3.52317 63.546000 Cu 0.210798 0.081461 0.5 245 63.546 0.0189148 -3.51524 63.546000 Cu 0.134188 0.110203 0.5 246 63.546 0.00329887 -3.5234 63.546000 Cu 0.306359 0.0763776 9.63378e-17 247 63.546 0.00682149 -3.52357 63.546000 Cu 0.423317 0.0952069 1.13638e-17 248 63.546 0.00868651 -3.52839 63.546000 Cu 0.403598 0.0711821 0.5 249 63.546 0.0293761 -3.53142 63.546000 Cu 0.327252 0.10032 0.5 250 63.546 0.00278546 -3.52459 63.546000 Cu 0.442627 0.119516 0.5 271 63.546 0.00111002 -3.52451 63.546000 Cu 0.346775 0.124396 2.36752e-16 269 63.546 0.0017143 -3.52547 63.546000 Cu 0.501659 0.0661843 1 251 63.546 0.0464914 -3.52977 63.546000 Cu 0.614963 0.0861104 1.23203e-16 252 63.546 0.0121945 -3.51902 63.546000 Cu 0.519218 0.0904529 0.5 254 63.546 0.00602573 -3.528 63.546000 Cu 0.710798 0.081461 0.5 258 63.546 0.0189148 -3.51524 63.546000 Cu 0.538134 0.114836 2.46766e-17 273 63.546 0.00201583 -3.52357 63.546000 Cu 0.634188 0.110203 0.5 275 63.546 0.00329887 -3.5234 63.546000 Cu 0.730732 0.1054 0 277 63.546 0.00203864 -3.52317 63.546000 Cu 0.903598 0.0711821 0.5 221 63.546 0.0293761 -3.53142 63.546000 Cu 0.923317 0.0952069 1.82331e-16 239 63.546 0.00868651 -3.52839 63.546000 Cu 0.942627 0.119516 0.5 242 63.546 0.00111002 -3.52451 63.546000 Cu 0.806359 0.0763776 5.99675e-20 256 63.546 0.00682149 -3.52357 63.546000 Cu 0.827252 0.10032 0.5 278 63.546 0.00278546 -3.52459 63.546000 Cu 0.846775 0.124396 0 238 63.546 0.0017143 -3.52547 63.546000 Cu 0.0774834 0.163128 4.12876e-17 262 63.546 9.90232e-05 -3.52404 63.546000 Cu 0.0577916 0.13903 0.5 263 63.546 0.000768398 -3.52322 63.546000 Cu 0.153944 0.134227 1.49919e-19 265 63.546 0.000443841 -3.52443 63.546000 Cu 0.173637 0.158277 0.5 268 63.546 8.57781e-05 -3.52473 63.546000 Cu 0.19315 0.182382 7.49594e-19 286 63.546 3.21823e-05 -3.52492 63.546000 Cu 0.0969949 0.187229 0.5 284 63.546 2.54358e-05 -3.52469 63.546000 Cu 0.269839 0.153411 0 266 63.546 0.000226954 -3.52537 63.546000 Cu 0.250402 0.129345 0.5 267 63.546 0.00047121 -3.52545 63.546000 Cu 0.461912 0.143782 0 270 63.546 0.000261794 -3.52359 63.546000 Cu 0.365969 0.148563 0.5 272 63.546 0.000277046 -3.52499 63.546000 Cu 0.28925 0.177537 0.5 288 63.546 5.48223e-05 -3.52481 63.546000 Cu 0.385331 0.172726 0 290 63.546 1.84647e-05 -3.52437 63.546000 Cu 0.481378 0.167946 0.5 292 63.546 0.000144099 -3.52392 63.546000 Cu 0.653944 0.134227 3.59805e-19 274 63.546 0.000443841 -3.52443 63.546000 Cu 0.557792 0.13903 0.5 276 63.546 0.000768398 -3.52322 63.546000 Cu 0.577483 0.163128 3.59805e-19 294 63.546 9.90232e-05 -3.52404 63.546000 Cu 0.69315 0.182382 7.51393e-17 295 63.546 3.21823e-05 -3.52492 63.546000 Cu 0.673637 0.158277 0.5 296 63.546 8.57781e-05 -3.52473 63.546000 Cu 0.596995 0.187229 0.5 297 63.546 2.54358e-05 -3.52469 63.546000 Cu 0.885331 0.172726 0 259 63.546 1.84647e-05 -3.52437 63.546000 Cu 0.865969 0.148563 0.5 260 63.546 0.000277046 -3.52499 63.546000 Cu 0.961912 0.143782 3.96085e-17 261 63.546 0.000261794 -3.52359 63.546000 Cu 0.981378 0.167946 0.5 264 63.546 0.000144099 -3.52392 63.546000 Cu 0.750402 0.129345 0.5 279 63.546 0.00047121 -3.52545 63.546000 Cu 0.769839 0.153411 7.12114e-17 298 63.546 0.000226954 -3.52537 63.546000 Cu 0.78925 0.177537 0.5 299 63.546 5.48223e-05 -3.52481 63.546000 Cu 0.000852268 0.192055 5.51401e-17 282 63.546 3.38939e-05 -3.52453 63.546000 Cu 0.116382 0.211338 0 283 63.546 2.06507e-05 -3.52465 63.546000 Cu 0.0201939 0.216174 0.5 285 63.546 1.81538e-05 -3.52452 63.546000 Cu 0.212576 0.206509 0.5 289 63.546 7.60188e-05 -3.52478 63.546000 Cu 0.0395085 0.240275 4.03581e-17 304 63.546 1.12387e-05 -3.52432 63.546000 Cu 0.13565 0.235449 0.5 306 63.546 9.28749e-06 -3.52453 63.546000 Cu 0.231797 0.230632 0 308 63.546 3.22977e-06 -3.52455 63.546000 Cu 0.308692 0.201681 2.82147e-17 287 63.546 5.92342e-05 -3.5246 63.546000 Cu 0.404707 0.196869 0.5 293 63.546 2.21647e-05 -3.52446 63.546000 Cu 0.327973 0.225819 0.5 310 63.546 3.38174e-05 -3.52437 63.546000 Cu 0.424095 0.221004 5.28913e-17 312 63.546 5.62112e-05 -3.5243 63.546000 Cu 0.443352 0.245099 0.5 315 63.546 4.7746e-06 -3.52419 63.546000 Cu 0.347191 0.249923 0 309 63.546 8.83668e-06 -3.52428 63.546000 Cu 0.500852 0.192055 0 291 63.546 3.38939e-05 -3.52453 63.546000 Cu 0.539509 0.240275 0 313 63.546 1.12387e-05 -3.52432 63.546000 Cu 0.520194 0.216174 0.5 314 63.546 1.81538e-05 -3.52452 63.546000 Cu 0.616382 0.211338 7.97867e-17 316 63.546 2.06507e-05 -3.52465 63.546000 Cu 0.731797 0.230632 3.52909e-17 317 63.546 3.22977e-06 -3.52455 63.546000 Cu 0.712576 0.206509 0.5 318 63.546 7.60188e-05 -3.52478 63.546000 Cu 0.63565 0.235449 0.5 319 63.546 9.28749e-06 -3.52453 63.546000 Cu 0.924095 0.221004 2.30095e-16 280 63.546 5.62112e-05 -3.5243 63.546000 Cu 0.904707 0.196869 0.5 281 63.546 2.21647e-05 -3.52446 63.546000 Cu 0.943352 0.245099 0.5 302 63.546 4.7746e-06 -3.52419 63.546000 Cu 0.808692 0.201681 3.56507e-17 320 63.546 5.92342e-05 -3.5246 63.546000 Cu 0.827973 0.225819 0.5 321 63.546 3.38174e-05 -3.52437 63.546000 Cu 0.847191 0.249923 7.94569e-17 300 63.546 8.83668e-06 -3.52428 63.546000 Cu 0.154917 0.259577 2.99837e-20 305 63.546 1.08504e-05 -3.52463 63.546000 Cu 0.0587526 0.264382 0.5 307 63.546 1.1691e-05 -3.5246 63.546000 Cu 0.077959 0.288507 0 326 63.546 5.8635e-06 -3.52434 63.546000 Cu 0.193241 0.307821 1.13938e-18 327 63.546 3.48432e-05 -3.52435 63.546000 Cu 0.174123 0.283696 0.5 328 63.546 1.3546e-05 -3.52442 63.546000 Cu 0.251071 0.254752 0.5 311 63.546 8.18161e-06 -3.52452 63.546000 Cu 0.270289 0.278873 6.92624e-18 330 63.546 2.08059e-05 -3.52457 63.546000 Cu 0.385626 0.298149 0 331 63.546 9.21709e-06 -3.52461 63.546000 Cu 0.366424 0.274036 0.5 332 63.546 6.5176e-06 -3.5246 63.546000 Cu 0.289401 0.302992 0.5 333 63.546 2.75011e-05 -3.52459 63.546000 Cu 0.462568 0.269199 0 334 63.546 1.94875e-05 -3.52462 63.546000 Cu 0.481818 0.293317 0.5 337 63.546 1.44705e-05 -3.52448 63.546000 Cu 0.577959 0.288507 1.79902e-19 335 63.546 5.8635e-06 -3.52434 63.546000 Cu 0.558753 0.264382 0.5 336 63.546 1.1691e-05 -3.5246 63.546000 Cu 0.654917 0.259577 1.70727e-16 338 63.546 1.08504e-05 -3.52463 63.546000 Cu 0.674123 0.283696 0.5 341 63.546 1.3546e-05 -3.52442 63.546000 Cu 0.693241 0.307821 5.42106e-17 359 63.546 3.48432e-05 -3.52435 63.546000 Cu 0.962568 0.269199 0 301 63.546 1.94875e-05 -3.52462 63.546000 Cu 0.866424 0.274036 0.5 303 63.546 6.5176e-06 -3.5246 63.546000 Cu 0.885626 0.298149 7.73581e-18 322 63.546 9.21709e-06 -3.52461 63.546000 Cu 0.981818 0.293317 0.5 324 63.546 1.44705e-05 -3.52448 63.546000 Cu 0.770289 0.278873 0 339 63.546 2.08059e-05 -3.52457 63.546000 Cu 0.751071 0.254752 0.5 340 63.546 8.18161e-06 -3.52452 63.546000 Cu 0.789401 0.302992 0.5 361 63.546 2.75011e-05 -3.52459 63.546000 Cu 0.00101963 0.317428 0 323 63.546 3.68339e-05 -3.52437 63.546000 Cu 0.0971796 0.312624 0.5 329 63.546 3.15322e-05 -3.52429 63.546000 Cu 0.0394086 0.365712 0 344 63.546 0.000270377 -3.52348 63.546000 Cu 0.0202615 0.341555 0.5 345 63.546 9.10548e-05 -3.52381 63.546000 Cu 0.116325 0.336779 0 347 63.546 4.88619e-05 -3.52437 63.546000 Cu 0.231614 0.35608 0 348 63.546 0.00020427 -3.52538 63.546000 Cu 0.212447 0.331954 0.5 349 63.546 5.19796e-05 -3.52472 63.546000 Cu 0.13539 0.360929 0.5 350 63.546 0.000278952 -3.52484 63.546000 Cu 0.308583 0.327099 7.1961e-19 351 63.546 3.39711e-05 -3.52485 63.546000 Cu 0.424109 0.346352 3.75396e-17 352 63.546 0.000139874 -3.52422 63.546000 Cu 0.404824 0.322247 0.5 353 63.546 4.13711e-05 -3.52471 63.546000 Cu 0.327848 0.35121 0.5 354 63.546 9.20514e-05 -3.52491 63.546000 Cu 0.443482 0.370461 0.5 375 63.546 0.000791575 -3.5232 63.546000 Cu 0.50102 0.317428 8.99512e-19 355 63.546 3.68339e-05 -3.52437 63.546000 Cu 0.616325 0.336779 0 356 63.546 4.88619e-05 -3.52437 63.546000 Cu 0.59718 0.312624 0.5 357 63.546 3.15322e-05 -3.52429 63.546000 Cu 0.520261 0.341555 0.5 358 63.546 9.10548e-05 -3.52381 63.546000 Cu 0.712447 0.331954 0.5 362 63.546 5.19796e-05 -3.52472 63.546000 Cu 0.539409 0.365712 4.14076e-17 377 63.546 0.000270377 -3.52348 63.546000 Cu 0.63539 0.360929 0.5 379 63.546 0.000278952 -3.52484 63.546000 Cu 0.731614 0.35608 2.99837e-20 381 63.546 0.00020427 -3.52538 63.546000 Cu 0.904824 0.322247 0.5 325 63.546 4.13711e-05 -3.52471 63.546000 Cu 0.924109 0.346352 4.26369e-17 343 63.546 0.000139874 -3.52422 63.546000 Cu 0.943482 0.370461 0.5 346 63.546 0.000791575 -3.5232 63.546000 Cu 0.808583 0.327099 6.99221e-17 360 63.546 3.39711e-05 -3.52485 63.546000 Cu 0.827848 0.35121 0.5 382 63.546 9.20514e-05 -3.52491 63.546000 Cu 0.0774462 0.414294 9.88564e-17 366 63.546 0.00869166 -3.52851 63.546000 Cu 0.058407 0.389986 0.5 367 63.546 0.00118229 -3.52475 63.546000 Cu 0.154354 0.385097 7.51992e-17 369 63.546 0.00164309 -3.52552 63.546000 Cu 0.173644 0.409183 0.5 372 63.546 0.00271092 -3.52452 63.546000 Cu 0.194313 0.433128 1.20685e-16 390 63.546 0.00725237 -3.52361 63.546000 Cu 0.270224 0.404096 0 370 63.546 0.0021601 -3.52304 63.546000 Cu 0.250772 0.380155 0.5 371 63.546 0.000506495 -3.52545 63.546000 Cu 0.34732 0.375261 5.08824e-17 373 63.546 0.000556861 -3.52443 63.546000 Cu 0.462837 0.394671 0 374 63.546 0.00178087 -3.52353 63.546000 Cu 0.366786 0.399292 0.5 376 63.546 0.00359199 -3.52322 63.546000 Cu 0.289883 0.428037 0.5 392 63.546 0.0199351 -3.51522 63.546000 Cu 0.385729 0.423407 1.19125e-16 394 63.546 0.0115037 -3.51898 63.546000 Cu 0.481453 0.419053 0.5 396 63.546 0.005753 -3.52788 63.546000 Cu 0.654354 0.385097 8.22454e-17 378 63.546 0.00164309 -3.52552 63.546000 Cu 0.558407 0.389986 0.5 380 63.546 0.00118229 -3.52475 63.546000 Cu 0.577446 0.414294 0 398 63.546 0.00869166 -3.52851 63.546000 Cu 0.694313 0.433128 0 399 63.546 0.00725237 -3.52361 63.546000 Cu 0.673644 0.409183 0.5 400 63.546 0.00271092 -3.52452 63.546000 Cu 0.84732 0.375261 0 342 63.546 0.000556861 -3.52443 63.546000 Cu 0.885729 0.423407 0 363 63.546 0.0115037 -3.51898 63.546000 Cu 0.866786 0.399292 0.5 364 63.546 0.00359199 -3.52322 63.546000 Cu 0.962837 0.394671 3.81093e-17 365 63.546 0.00178087 -3.52353 63.546000 Cu 0.981453 0.419053 0.5 368 63.546 0.005753 -3.52788 63.546000 Cu 0.750772 0.380155 0.5 383 63.546 0.000506495 -3.52545 63.546000 Cu 0.770224 0.404096 2.09706e-16 402 63.546 0.0021601 -3.52304 63.546000 Cu 0.789883 0.428037 0.5 403 63.546 0.0199351 -3.51522 63.546000 Cu 0.117322 0.461504 3.48411e-17 387 63.546 0.0705287 -3.51653 63.546000 Cu 0.0969659 0.438313 0.5 388 63.546 0.0282974 -3.53136 63.546000 Cu 0.0145181 0.466783 0.5 389 63.546 0.721537 -3.44918 63.546000 Cu 0.21639 0.457169 0.5 393 63.546 0.128855 -3.52529 63.546000 Cu 0.0331085 0.489033 9.28597e-17 406 63.546 9.26047 -3.28552 63.546000 Cu 0.132428 0.484122 0.5 407 63.546 3.71018 -3.43262 63.546000 Cu 0.238868 0.480587 1.32738e-16 408 63.546 0.616447 -3.49165 63.546000 Cu 0.310799 0.452345 8.68329e-17 391 63.546 0.108618 -3.49226 63.546000 Cu 0.402736 0.44798 0.5 397 63.546 0.0819961 -3.50128 63.546000 Cu 0.333682 0.478833 0.5 410 63.546 0.564387 -3.45928 63.546000 Cu 0.41936 0.473525 0 411 63.546 0.799387 -3.40794 63.546000 Cu 0.498819 0.443334 6.34456e-17 395 63.546 0.0479487 -3.52935 63.546000 Cu 0.632428 0.484122 0.5 10 63.546 3.71018 -3.43262 63.546000 Cu 0.71639 0.457169 0.5 12 63.546 0.128855 -3.52529 63.546000 Cu 0.738868 0.480587 1.4692e-18 203 63.546 0.616447 -3.49165 63.546000 Cu 0.617322 0.461504 1 205 63.546 0.0705287 -3.51653 63.546000 Cu 0.514518 0.466783 0.5 210 63.546 0.721537 -3.44918 63.546000 Cu 0.596966 0.438313 0.5 401 63.546 0.0282974 -3.53136 63.546000 Cu 0.533109 0.489033 0 412 63.546 9.26047 -3.28552 63.546000 Cu 0.998819 0.443334 2.99837e-19 386 63.546 0.0479487 -3.52935 63.546000 Cu 0.833682 0.478833 0.5 2 63.546 0.564387 -3.45928 63.546000 Cu 0.810799 0.452345 3.59805e-19 5 63.546 0.108618 -3.49226 63.546000 Cu 0.91936 0.473525 0 384 63.546 0.799387 -3.40794 63.546000 Cu 0.902736 0.44798 0.5 385 63.546 0.0819961 -3.50128 63.546000 Cu 0.033139 0.520855 0 4 63.546 9.22214 -3.28531 63.546000 Cu 0.132311 0.525733 0.5 6 63.546 3.7163 -3.4344 63.546000 Cu 0.151102 0.504912 5.18959e-16 7 63.546 6.84658 -3.22557 63.546000 Cu 0.238803 0.529275 1.59843e-16 8 63.546 0.618987 -3.49189 63.546000 Cu 0.247974 0.50492 0.5 9 63.546 1.15185 -3.49519 63.546000 Cu 0.0143161 0.543072 0.5 24 63.546 0.696236 -3.45103 63.546000 Cu 0.117099 0.548348 4.26369e-17 26 63.546 0.0693061 -3.51626 63.546000 Cu 0.216163 0.552691 0.5 29 63.546 0.12704 -3.52523 63.546000 Cu 0.448283 0.505075 0.5 209 63.546 8.04452 -3.45431 63.546000 Cu 0.419283 0.536335 3.52909e-17 11 63.546 0.759686 -3.41161 63.546000 Cu 0.333533 0.531047 0.5 13 63.546 0.542156 -3.46075 63.546000 Cu 0.310584 0.55749 9.11806e-17 30 63.546 0.106223 -3.49218 63.546000 Cu 0.40247 0.561867 0.5 32 63.546 0.0831377 -3.50174 63.546000 Cu 0.349313 0.504938 0 409 63.546 2.31944 -3.51052 63.546000 Cu 0.651102 0.504912 1 1 63.546 6.84658 -3.22557 63.546000 Cu 0.747974 0.50492 0.5 3 63.546 1.15185 -3.49519 63.546000 Cu 0.533139 0.520855 8.57235e-17 14 63.546 9.22214 -3.28531 63.546000 Cu 0.617099 0.548348 2.03889e-18 15 63.546 0.0693061 -3.51626 63.546000 Cu 0.632311 0.525733 0.5 16 63.546 3.7163 -3.4344 63.546000 Cu 0.514316 0.543072 0.5 17 63.546 0.696236 -3.45103 63.546000 Cu 0.738803 0.529275 0 18 63.546 0.618987 -3.49189 63.546000 Cu 0.716163 0.552691 0.5 21 63.546 0.12704 -3.52523 63.546000 Cu 0.948283 0.505075 0.5 405 63.546 8.04452 -3.45431 63.546000 Cu 0.810584 0.55749 5.09724e-19 19 63.546 0.106223 -3.49218 63.546000 Cu 0.833533 0.531047 0.5 20 63.546 0.542156 -3.46075 63.546000 Cu 0.919283 0.536335 0 22 63.546 0.759686 -3.41161 63.546000 Cu 0.90247 0.561867 0.5 25 63.546 0.0831377 -3.50174 63.546000 Cu 0.849313 0.504938 6.59642e-19 404 63.546 2.31944 -3.51052 63.546000 Cu 0.0966912 0.571523 0.5 27 63.546 0.0279948 -3.53135 63.546000 Cu 0.193992 0.576706 8.75825e-17 28 63.546 0.00717403 -3.52355 63.546000 Cu 0.077147 0.595504 1 46 63.546 0.00878451 -3.52848 63.546000 Cu 0.0580228 0.61978 0.5 47 63.546 0.00118744 -3.52469 63.546000 Cu 0.153922 0.624647 0 48 63.546 0.00205868 -3.52528 63.546000 Cu 0.17328 0.600618 0.5 49 63.546 0.00265072 -3.52439 63.546000 Cu 0.38539 0.586415 1.91836e-16 31 63.546 0.0120068 -3.51894 63.546000 Cu 0.289568 0.581786 0.5 33 63.546 0.0202181 -3.51518 63.546000 Cu 0.498552 0.566509 0 34 63.546 0.0471417 -3.52976 63.546000 Cu 0.481163 0.590745 0.5 37 63.546 0.00626464 -3.52806 63.546000 Cu 0.269837 0.605693 6.72236e-17 50 63.546 0.00230851 -3.52295 63.546000 Cu 0.366427 0.610484 0.5 52 63.546 0.00359665 -3.52335 63.546000 Cu 0.462479 0.615105 1.23413e-16 54 63.546 0.00179283 -3.52375 63.546000 Cu 0.577147 0.595504 0 35 63.546 0.00878451 -3.52848 63.546000 Cu 0.596691 0.571523 0.5 36 63.546 0.0279948 -3.53135 63.546000 Cu 0.693992 0.576706 8.69529e-19 38 63.546 0.00717403 -3.52355 63.546000 Cu 0.67328 0.600618 0.5 41 63.546 0.00265072 -3.52439 63.546000 Cu 0.558023 0.61978 0.5 56 63.546 0.00118744 -3.52469 63.546000 Cu 0.653922 0.624647 8.39545e-19 58 63.546 0.00205868 -3.52528 63.546000 Cu 0.998552 0.566509 0 23 63.546 0.0471417 -3.52976 63.546000 Cu 0.769837 0.605693 6.6444e-17 39 63.546 0.00230851 -3.52295 63.546000 Cu 0.789568 0.581786 0.5 40 63.546 0.0202181 -3.51518 63.546000 Cu 0.88539 0.586415 3.89789e-19 42 63.546 0.0120068 -3.51894 63.546000 Cu 0.962479 0.615105 4.19772e-19 43 63.546 0.00179283 -3.52375 63.546000 Cu 0.981163 0.590745 0.5 44 63.546 0.00626464 -3.52806 63.546000 Cu 0.866427 0.610484 0.5 45 63.546 0.00359665 -3.52335 63.546000 Cu 0.039016 0.644014 0 66 63.546 0.000266863 -3.52359 63.546000 Cu 0.11585 0.672912 0 67 63.546 6.2852e-05 -3.52432 63.546000 Cu 0.135004 0.648774 0.5 68 63.546 0.00031922 -3.52496 63.546000 Cu 0.0198361 0.66814 0.5 69 63.546 0.000276667 -3.52376 63.546000 Cu 0.231153 0.653598 0 70 63.546 0.00044582 -3.52538 63.546000 Cu 0.211899 0.677699 0.5 73 63.546 8.6526e-05 -3.52492 63.546000 Cu 0.250386 0.629586 0.5 53 63.546 0.000442521 -3.52526 63.546000 Cu 0.346935 0.634478 0 51 63.546 0.000614585 -3.52445 63.546000 Cu 0.44312 0.639279 0.5 57 63.546 0.00102168 -3.52321 63.546000 Cu 0.308059 0.682518 1.49919e-19 71 63.546 0.000109381 -3.52495 63.546000 Cu 0.327421 0.65847 0.5 72 63.546 8.56585e-05 -3.52475 63.546000 Cu 0.423687 0.663331 7.2021e-17 74 63.546 0.000170716 -3.52391 63.546000 Cu 0.404244 0.687366 0.5 77 63.546 2.50222e-05 -3.52468 63.546000 Cu 0.539016 0.644014 0 55 63.546 0.000266863 -3.52359 63.546000 Cu 0.731153 0.653598 0 59 63.546 0.00044582 -3.52538 63.546000 Cu 0.635004 0.648774 0.5 61 63.546 0.00031922 -3.52496 63.546000 Cu 0.519836 0.66814 0.5 76 63.546 0.000276667 -3.52376 63.546000 Cu 0.61585 0.672912 8.81522e-18 78 63.546 6.2852e-05 -3.52432 63.546000 Cu 0.711899 0.677699 0.5 80 63.546 8.6526e-05 -3.52492 63.546000 Cu 0.750386 0.629586 0.5 60 63.546 0.000442521 -3.52526 63.546000 Cu 0.846935 0.634478 1.79902e-19 62 63.546 0.000614585 -3.52445 63.546000 Cu 0.923687 0.663331 0 63 63.546 0.000170716 -3.52391 63.546000 Cu 0.94312 0.639279 0.5 64 63.546 0.00102168 -3.52321 63.546000 Cu 0.827421 0.65847 0.5 65 63.546 8.56585e-05 -3.52475 63.546000 Cu 0.808059 0.682518 9.38191e-17 82 63.546 0.000109381 -3.52495 63.546000 Cu 0.904244 0.687366 0.5 84 63.546 2.50222e-05 -3.52468 63.546000 Cu 0.077021 0.721102 1.27911e-16 87 63.546 6.73328e-05 -3.5245 63.546000 Cu 0.0964889 0.697014 0.5 88 63.546 4.80304e-05 -3.52438 63.546000 Cu 0.192543 0.701805 4.45858e-17 90 63.546 1.00775e-05 -3.52458 63.546000 Cu 0.173093 0.725907 0.5 93 63.546 2.77883e-05 -3.52444 63.546000 Cu 0.0575146 0.745159 0.5 108 63.546 1.88197e-05 -3.52443 63.546000 Cu 0.153608 0.749987 0 111 63.546 4.19956e-05 -3.52435 63.546000 Cu 0.00039917 0.692207 0 86 63.546 7.41955e-05 -3.52444 63.546000 Cu 0.269142 0.730697 0 91 63.546 4.83053e-06 -3.52447 63.546000 Cu 0.288609 0.706602 0.5 92 63.546 4.61214e-05 -3.52471 63.546000 Cu 0.384722 0.711425 0 94 63.546 2.83165e-05 -3.52475 63.546000 Cu 0.461371 0.740317 0 95 63.546 1.79607e-05 -3.52454 63.546000 Cu 0.480882 0.71627 0.5 96 63.546 1.4827e-05 -3.52468 63.546000 Cu 0.365222 0.735492 0.5 97 63.546 5.22849e-05 -3.52453 63.546000 Cu 0.500399 0.692207 0 75 63.546 7.41955e-05 -3.52444 63.546000 Cu 0.692543 0.701805 8.32948e-17 79 63.546 1.00775e-05 -3.52458 63.546000 Cu 0.596489 0.697014 0.5 81 63.546 4.80304e-05 -3.52438 63.546000 Cu 0.577021 0.721102 0 98 63.546 6.73328e-05 -3.5245 63.546000 Cu 0.653608 0.749987 1.08031e-16 99 63.546 4.19956e-05 -3.52435 63.546000 Cu 0.673093 0.725907 0.5 100 63.546 2.77883e-05 -3.52444 63.546000 Cu 0.557515 0.745159 0.5 101 63.546 1.88197e-05 -3.52443 63.546000 Cu 0.884722 0.711425 7.12714e-17 83 63.546 2.83165e-05 -3.52475 63.546000 Cu 0.788609 0.706602 0.5 85 63.546 4.61214e-05 -3.52471 63.546000 Cu 0.980882 0.71627 0.5 89 63.546 1.4827e-05 -3.52468 63.546000 Cu 0.769142 0.730697 4.82438e-17 102 63.546 4.83053e-06 -3.52447 63.546000 Cu 0.865222 0.735492 0.5 104 63.546 5.22849e-05 -3.52453 63.546000 Cu 0.961371 0.740317 0 106 63.546 1.79607e-05 -3.52454 63.546000 Cu 0.037951 0.76921 6.99521e-17 107 63.546 4.88371e-06 -3.52475 63.546000 Cu 0.134091 0.774052 0.5 110 63.546 3.21176e-05 -3.52461 63.546000 Cu 0.23018 0.778869 2.86345e-17 112 63.546 2.96571e-05 -3.52457 63.546000 Cu 0.249663 0.754789 0.5 113 63.546 1.07654e-05 -3.5244 63.546000 Cu 0.0183817 0.793267 0.5 128 63.546 8.76597e-05 -3.52454 63.546000 Cu 0.114549 0.798104 1 130 63.546 4.06038e-05 -3.52473 63.546000 Cu 0.210744 0.802951 0.5 133 63.546 7.65129e-05 -3.52472 63.546000 Cu 0.345724 0.759575 1.73456e-16 114 63.546 1.5965e-05 -3.52455 63.546000 Cu 0.422273 0.78846 0 115 63.546 7.7452e-05 -3.52439 63.546000 Cu 0.441814 0.764375 0.5 116 63.546 6.19631e-05 -3.52471 63.546000 Cu 0.32625 0.78367 0.5 117 63.546 9.43089e-06 -3.52441 63.546000 Cu 0.306834 0.807762 8.52138e-17 134 63.546 5.71302e-05 -3.5244 63.546000 Cu 0.749663 0.754789 0.5 105 63.546 1.07654e-05 -3.5244 63.546000 Cu 0.537951 0.76921 1.2878e-16 118 63.546 4.88371e-06 -3.52475 63.546000 Cu 0.614549 0.798104 0 119 63.546 4.06038e-05 -3.52473 63.546000 Cu 0.634091 0.774052 0.5 120 63.546 3.21176e-05 -3.52461 63.546000 Cu 0.518382 0.793267 0.5 121 63.546 8.76597e-05 -3.52454 63.546000 Cu 0.73018 0.778869 1.48539e-16 122 63.546 2.96571e-05 -3.52457 63.546000 Cu 0.710744 0.802951 0.5 125 63.546 7.65129e-05 -3.52472 63.546000 Cu 0.845724 0.759575 1.4752e-16 103 63.546 1.5965e-05 -3.52455 63.546000 Cu 0.941814 0.764375 0.5 109 63.546 6.19631e-05 -3.52471 63.546000 Cu 0.806834 0.807762 3.29821e-19 123 63.546 5.71302e-05 -3.5244 63.546000 Cu 0.82625 0.78367 0.5 124 63.546 9.43089e-06 -3.52441 63.546000 Cu 0.922273 0.78846 8.99512e-19 126 63.546 7.7452e-05 -3.52439 63.546000 Cu 0.0951532 0.822154 0.5 131 63.546 6.52257e-05 -3.52472 63.546000 Cu 0.191389 0.827013 0 132 63.546 5.14874e-05 -3.52495 63.546000 Cu 0.0758535 0.846206 1.03114e-16 150 63.546 0.000179743 -3.5241 63.546000 Cu 0.0564965 0.870266 0.5 151 63.546 0.000919109 -3.52331 63.546000 Cu 0.172143 0.851065 0.5 153 63.546 8.10547e-05 -3.52492 63.546000 Cu 0.402905 0.812539 0.5 136 63.546 5.3492e-05 -3.52426 63.546000 Cu 0.383686 0.836651 0 135 63.546 5.11394e-05 -3.52431 63.546000 Cu 0.287575 0.831854 0.5 137 63.546 0.000117494 -3.52482 63.546000 Cu 0.499009 0.817326 1.52138e-16 138 63.546 0.000113672 -3.52428 63.546000 Cu 0.47972 0.841411 0.5 141 63.546 0.000143418 -3.5237 63.546000 Cu 0.268441 0.855936 0 154 63.546 0.000311056 -3.52541 63.546000 Cu 0.364636 0.860769 0.5 156 63.546 0.000347361 -3.52479 63.546000 Cu 0.46058 0.865529 5.80785e-17 158 63.546 0.000270161 -3.52342 63.546000 Cu 0.575854 0.846206 1.73156e-16 139 63.546 0.000179743 -3.5241 63.546000 Cu 0.595153 0.822154 0.5 140 63.546 6.52257e-05 -3.52472 63.546000 Cu 0.691389 0.827013 1.34087e-16 142 63.546 5.14874e-05 -3.52495 63.546000 Cu 0.672143 0.851065 0.5 145 63.546 8.10547e-05 -3.52492 63.546000 Cu 0.556497 0.870266 0.5 160 63.546 0.000919109 -3.52331 63.546000 Cu 0.902905 0.812539 0.5 129 63.546 5.3492e-05 -3.52426 63.546000 Cu 0.999009 0.817326 1.73006e-17 127 63.546 0.000113672 -3.52428 63.546000 Cu 0.768441 0.855936 0 143 63.546 0.000311056 -3.52541 63.546000 Cu 0.787575 0.831854 0.5 144 63.546 0.000117494 -3.52482 63.546000 Cu 0.883686 0.836651 1.25632e-17 146 63.546 5.11394e-05 -3.52431 63.546000 Cu 0.96058 0.865529 5.49902e-17 147 63.546 0.000270161 -3.52342 63.546000 Cu 0.97972 0.841411 0.5 148 63.546 0.000143418 -3.5237 63.546000 Cu 0.864636 0.860769 0.5 149 63.546 0.000347361 -3.52479 63.546000 Cu 0.152698 0.875064 3.46612e-17 152 63.546 0.000551602 -3.52451 63.546000 Cu 0.249236 0.87995 0.5 157 63.546 0.000454235 -3.52539 63.546000 Cu 0.0371367 0.894438 0 170 63.546 0.00176727 -3.52368 63.546000 Cu 0.114248 0.923135 0 171 63.546 0.0116652 -3.51894 63.546000 Cu 0.133182 0.899056 0.5 172 63.546 0.00360441 -3.52329 63.546000 Cu 0.0184986 0.918781 0.5 173 63.546 0.00579273 -3.52804 63.546000 Cu 0.229762 0.903847 0 174 63.546 0.00229103 -3.52282 63.546000 Cu 0.210064 0.927751 0.5 177 63.546 0.0208042 -3.51502 63.546000 Cu 0.345674 0.884893 0 155 63.546 0.00193818 -3.52542 63.546000 Cu 0.441587 0.889763 0.5 161 63.546 0.00119036 -3.52469 63.546000 Cu 0.305593 0.932828 3.3192e-17 175 63.546 0.00748264 -3.52363 63.546000 Cu 0.326326 0.90892 0.5 176 63.546 0.00263993 -3.52435 63.546000 Cu 0.422503 0.91403 5.69691e-19 178 63.546 0.00886394 -3.52855 63.546000 Cu 0.652698 0.875064 1.74385e-16 162 63.546 0.000551602 -3.52451 63.546000 Cu 0.537137 0.894438 0 159 63.546 0.00176727 -3.52368 63.546000 Cu 0.729762 0.903847 3.06434e-17 163 63.546 0.00229103 -3.52282 63.546000 Cu 0.749236 0.87995 0.5 164 63.546 0.000454235 -3.52539 63.546000 Cu 0.633182 0.899056 0.5 165 63.546 0.00360441 -3.52329 63.546000 Cu 0.518499 0.918781 0.5 180 63.546 0.00579273 -3.52804 63.546000 Cu 0.614248 0.923135 4.63249e-17 182 63.546 0.0116652 -3.51894 63.546000 Cu 0.710064 0.927751 0.5 184 63.546 0.0208042 -3.51502 63.546000 Cu 0.845674 0.884893 5.47803e-17 166 63.546 0.00193818 -3.52542 63.546000 Cu 0.922503 0.91403 1.88748e-16 167 63.546 0.00886394 -3.52855 63.546000 Cu 0.941587 0.889763 0.5 168 63.546 0.00119036 -3.52469 63.546000 Cu 0.826326 0.90892 0.5 169 63.546 0.00263993 -3.52435 63.546000 Cu 0.805593 0.932828 2.12885e-17 186 63.546 0.00748264 -3.52363 63.546000 Cu 0.0805278 0.973207 7.05518e-17 191 63.546 0.770054 -3.41068 63.546000 Cu 0.0972364 0.947688 0.5 192 63.546 0.0829091 -3.50149 63.546000 Cu 0.189099 0.952053 5.45704e-18 194 63.546 0.106565 -3.49209 63.546000 Cu 0.166257 0.978519 0.5 197 63.546 0.55333 -3.46097 63.546000 Cu 0.00116695 0.943026 5.97276e-17 190 63.546 0.0476826 -3.52975 63.546000 Cu 0.402954 0.938011 0.5 181 63.546 0.028086 -3.53163 63.546000 Cu 0.261045 0.980273 1 195 63.546 0.615955 -3.4923 63.546000 Cu 0.283479 0.956857 0.5 196 63.546 0.130245 -3.52535 63.546000 Cu 0.382583 0.961182 1.1094e-18 198 63.546 0.0702857 -3.5162 63.546000 Cu 0.466697 0.988672 8.90517e-17 199 63.546 9.2275 -3.28459 63.546000 Cu 0.485396 0.966458 0.5 200 63.546 0.70126 -3.44993 63.546000 Cu 0.367468 0.98378 0.5 201 63.546 3.69714 -3.43346 63.546000 Cu 0.501167 0.943026 7.52592e-18 179 63.546 0.0476826 -3.52975 63.546000 Cu 0.689099 0.952053 3.42115e-17 183 63.546 0.106565 -3.49209 63.546000 Cu 0.597236 0.947688 0.5 185 63.546 0.0829091 -3.50149 63.546000 Cu 0.580528 0.973207 0 202 63.546 0.770054 -3.41068 63.546000 Cu 0.666257 0.978519 0.5 204 63.546 0.55333 -3.46097 63.546000 Cu 0.902954 0.938011 0.5 188 63.546 0.028086 -3.53163 63.546000 Cu 0.882583 0.961182 4.2511e-16 187 63.546 0.0702857 -3.5162 63.546000 Cu 0.783479 0.956857 0.5 189 63.546 0.130245 -3.52535 63.546000 Cu 0.985396 0.966458 0.5 193 63.546 0.70126 -3.44993 63.546000 Cu 0.761045 0.980273 2.71443e-16 206 63.546 0.615955 -3.4923 63.546000 Cu 0.867468 0.98378 0.5 207 63.546 3.69714 -3.43346 63.546000 Cu 0.966697 0.988672 1.95794e-17 208 63.546 9.2275 -3.28459