Number of particles = 396 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.0338 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 72.3057 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60767 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 0.0285364 0.0435919 1.22495e-16 209 63.546 0.015113 -3.53831 63.546000 Cu 0.0495373 0.00802315 1.22855e-16 212 63.546 0.0594524 -3.52521 63.546000 Cu 0.188502 0.011395 1 213 63.546 0.270918 -3.51723 63.546000 Cu 0.108879 0.0272701 0.5 214 63.546 0.0852192 -3.53477 63.546000 Cu 0.167813 0.0477782 0 226 63.546 0.0562109 -3.54178 63.546000 Cu 0.246193 0.0332081 0.5 228 63.546 0.0691715 -3.52595 63.546000 Cu 0.325347 0.020806 7.23668e-17 230 63.546 0.439615 -3.47969 63.546000 Cu 0.468411 0.0246401 0 231 63.546 0.0234169 -3.53089 63.546000 Cu 0.407557 0.00643555 0.5 232 63.546 0.417873 -3.49663 63.546000 Cu 0.386873 0.0403696 0.5 233 63.546 0.105939 -3.52586 63.546000 Cu 0.549679 0.0080168 0.5 234 63.546 0.0604682 -3.52537 63.546000 Cu 0.528594 0.0435348 0.5 254 63.546 0.0159946 -3.53865 63.546000 Cu 0.608996 0.0272766 0 256 63.546 0.0858369 -3.53532 63.546000 Cu 0.746323 0.0332902 1 257 63.546 0.064905 -3.52606 63.546000 Cu 0.68864 0.0114625 0.5 258 63.546 0.268272 -3.51708 63.546000 Cu 0.667904 0.0478045 0.5 259 63.546 0.0555683 -3.54189 63.546000 Cu 0.907572 0.00647839 0 203 63.546 0.414311 -3.49796 63.546000 Cu 0.825485 0.0208818 0.5 204 63.546 0.432724 -3.48141 63.546000 Cu 0.886925 0.0404594 0 208 63.546 0.108131 -3.52641 63.546000 Cu 0.968375 0.0247026 0.5 210 63.546 0.0242485 -3.53102 63.546000 Cu 0.147888 0.0835321 0 223 63.546 0.0142265 -3.54231 63.546000 Cu 0.0882471 0.0632238 0.5 224 63.546 0.026167 -3.54214 63.546000 Cu 0.0682349 0.0988123 0.5 225 63.546 0.00708419 -3.54205 63.546000 Cu 0.227039 0.0687626 0.5 229 63.546 0.0106332 -3.5384 63.546000 Cu 0.2077 0.10408 0.5 246 63.546 0.00209857 -3.53983 63.546000 Cu 0.0082144 0.0789714 0 222 63.546 0.004461 -3.5405 63.546000 Cu 0.306325 0.0548126 7.90986e-17 227 63.546 0.0664643 -3.5239 63.546000 Cu 0.287232 0.0894927 1.75628e-16 248 63.546 0.0113157 -3.5352 63.546000 Cu 0.428007 0.0944191 1.98227e-16 249 63.546 0.00348251 -3.53868 63.546000 Cu 0.367321 0.0747973 0.5 250 63.546 0.0263907 -3.53364 63.546000 Cu 0.447866 0.059467 0 252 63.546 0.0102874 -3.5368 63.546000 Cu 0.508247 0.0788878 0.5 255 63.546 0.00481923 -3.54068 63.546000 Cu 0.588309 0.0631922 0 253 63.546 0.0267128 -3.54238 63.546000 Cu 0.568252 0.0987662 5.6499e-18 280 63.546 0.00770033 -3.5421 63.546000 Cu 0.707654 0.10414 0 281 63.546 0.0019969 -3.53993 63.546000 Cu 0.647922 0.0835358 0.5 282 63.546 0.0144056 -3.54232 63.546000 Cu 0.727088 0.0688242 3.81068e-17 284 63.546 0.00978822 -3.53826 63.546000 Cu 0.867305 0.0749146 0 205 63.546 0.0288406 -3.53381 63.546000 Cu 0.806392 0.0549004 0.5 206 63.546 0.0667997 -3.52416 63.546000 Cu 0.787208 0.0895882 0.5 207 63.546 0.0124952 -3.53525 63.546000 Cu 0.947845 0.059572 0.5 211 63.546 0.0113022 -3.53684 63.546000 Cu 0.927978 0.0945318 0.5 220 63.546 0.00418931 -3.53853 63.546000 Cu 0.108294 0.154306 0 241 63.546 0.00102619 -3.54095 63.546000 Cu 0.0483509 0.134194 0.5 242 63.546 0.00160318 -3.54133 63.546000 Cu 0.128185 0.119003 1.22254e-16 244 63.546 0.00361743 -3.54137 63.546000 Cu 0.188131 0.13929 0.5 247 63.546 0.000676113 -3.53993 63.546000 Cu 0.267892 0.12446 5.89032e-17 245 63.546 0.00196669 -3.53812 63.546000 Cu 0.347837 0.109591 0.5 251 63.546 0.00640842 -3.53756 63.546000 Cu 0.328146 0.144583 0.5 274 63.546 0.00177284 -3.53865 63.546000 Cu 0.40824 0.129478 0 276 63.546 0.00123868 -3.53948 63.546000 Cu 0.488353 0.114158 0.5 278 63.546 0.00145286 -3.5406 63.546000 Cu 0.468341 0.149391 0.5 279 63.546 0.000437921 -3.54056 63.546000 Cu 0.548328 0.134147 0 277 63.546 0.00219763 -3.54123 63.546000 Cu 0.628126 0.119015 0.5 283 63.546 0.00338993 -3.54134 63.546000 Cu 0.608171 0.15433 0.5 306 63.546 0.000836484 -3.54084 63.546000 Cu 0.687985 0.139356 0 308 63.546 0.000569438 -3.53987 63.546000 Cu 0.828026 0.144648 0 216 63.546 0.00168899 -3.53849 63.546000 Cu 0.767768 0.124549 0.5 217 63.546 0.00274508 -3.53809 63.546000 Cu 0.847774 0.109699 3.40196e-17 218 63.546 0.00732185 -3.53737 63.546000 Cu 0.988335 0.114242 8.21039e-17 219 63.546 0.00128178 -3.54061 63.546000 Cu 0.90818 0.129564 0.5 221 63.546 0.00145106 -3.5393 63.546000 Cu 0.968339 0.149453 3.60632e-17 240 63.546 0.000345069 -3.54055 63.546000 Cu 0.028295 0.169467 0.5 243 63.546 0.000311947 -3.54076 63.546000 Cu 0.0880998 0.189536 1.63607e-16 268 63.546 0.000325998 -3.54022 63.546000 Cu 0.227961 0.19464 0 269 63.546 3.90055e-05 -3.53957 63.546000 Cu 0.168153 0.174474 0.5 270 63.546 0.000331804 -3.54015 63.546000 Cu 0.147805 0.209634 0.5 271 63.546 0.000227264 -3.53996 63.546000 Cu 0.248171 0.159522 0 272 63.546 0.00033118 -3.53923 63.546000 Cu 0.00789179 0.204663 0.5 266 63.546 2.47018e-05 -3.54038 63.546000 Cu 0.388225 0.164589 2.77687e-17 273 63.546 0.000503735 -3.53967 63.546000 Cu 0.308123 0.179654 0.5 275 63.546 0.000402132 -3.53934 63.546000 Cu 0.36789 0.199742 0 300 63.546 0.000239213 -3.53978 63.546000 Cu 0.448081 0.184619 0.5 302 63.546 0.000111544 -3.54042 63.546000 Cu 0.507735 0.204693 1.13118e-16 301 63.546 2.67766e-05 -3.54035 63.546000 Cu 0.528183 0.169445 0 304 63.546 0.000460606 -3.54082 63.546000 Cu 0.66793 0.17453 0 305 63.546 0.000219111 -3.54011 63.546000 Cu 0.587858 0.189577 0.5 307 63.546 0.000198139 -3.54027 63.546000 Cu 0.747987 0.159588 0.5 309 63.546 0.000598393 -3.53914 63.546000 Cu 0.647562 0.209693 4.31556e-17 332 63.546 0.00010597 -3.53988 63.546000 Cu 0.727732 0.194684 0.5 333 63.546 0.000114012 -3.53959 63.546000 Cu 0.807979 0.179676 0 236 63.546 0.000295342 -3.53937 63.546000 Cu 0.948139 0.184626 0 237 63.546 0.000150988 -3.54041 63.546000 Cu 0.888176 0.164632 0.5 238 63.546 0.000488213 -3.53961 63.546000 Cu 0.867824 0.199728 0.5 239 63.546 0.000124794 -3.53994 63.546000 Cu 0.0675846 0.224713 9.49664e-18 265 63.546 0.000120702 -3.54032 63.546000 Cu 0.0471415 0.259899 1 292 63.546 5.50868e-05 -3.5404 63.546000 Cu 0.127363 0.244794 0.5 294 63.546 0.000186581 -3.53993 63.546000 Cu 0.207516 0.22976 3.77461e-17 296 63.546 7.16268e-05 -3.53966 63.546000 Cu 0.347428 0.234899 0 297 63.546 0.000152079 -3.53994 63.546000 Cu 0.28773 0.214765 0.5 298 63.546 4.05124e-05 -3.5395 63.546000 Cu 0.267279 0.249894 0.5 299 63.546 8.27156e-05 -3.53955 63.546000 Cu 0.427568 0.219833 0.5 303 63.546 0.000145147 -3.54013 63.546000 Cu 0.407149 0.255043 0.5 326 63.546 0.000400399 -3.5405 63.546000 Cu 0.487226 0.239914 0 328 63.546 8.50308e-05 -3.54039 63.546000 Cu 0.627151 0.244844 8.05411e-17 329 63.546 0.000154029 -3.53995 63.546000 Cu 0.567367 0.224775 0.5 330 63.546 8.92206e-05 -3.54025 63.546000 Cu 0.547 0.25997 0.5 331 63.546 0.000163866 -3.5404 63.546000 Cu 0.707352 0.229782 0.5 334 63.546 5.1097e-05 -3.53976 63.546000 Cu 0.787595 0.214758 1.20211e-19 235 63.546 1.35116e-05 -3.5396 63.546000 Cu 0.767234 0.249866 3.78664e-17 260 63.546 7.7587e-05 -3.53974 63.546000 Cu 0.907207 0.254961 2.89708e-17 261 63.546 0.000222552 -3.54049 63.546000 Cu 0.847439 0.234848 0.5 262 63.546 6.31739e-05 -3.54012 63.546000 Cu 0.927637 0.219788 1.67934e-16 264 63.546 0.000112609 -3.54022 63.546000 Cu 0.987389 0.239844 0.5 267 63.546 1.92336e-05 -3.54044 63.546000 Cu 0.0267345 0.295079 1.39444e-17 289 63.546 0.000450966 -3.54051 63.546000 Cu 0.187196 0.264871 0 293 63.546 0.00041186 -3.5393 63.546000 Cu 0.106955 0.279916 0.5 295 63.546 0.000491834 -3.53975 63.546000 Cu 0.0868707 0.314996 0.5 318 63.546 0.00147803 -3.53942 63.546000 Cu 0.167018 0.299919 1.40045e-16 320 63.546 0.00172555 -3.53872 63.546000 Cu 0.24712 0.284998 0.5 322 63.546 0.00043906 -3.53911 63.546000 Cu 0.307113 0.305232 0 321 63.546 0.000575881 -3.53991 63.546000 Cu 0.327152 0.270076 2.12773e-17 324 63.546 0.000239428 -3.54002 63.546000 Cu 0.466965 0.275161 1.20211e-19 325 63.546 0.000607094 -3.54083 63.546000 Cu 0.38699 0.290283 0.5 327 63.546 0.00119537 -3.54076 63.546000 Cu 0.446871 0.310439 1.70699e-17 352 63.546 0.00259727 -3.54142 63.546000 Cu 0.587046 0.315056 1 353 63.546 0.00124105 -3.53929 63.546000 Cu 0.526901 0.295175 0.5 354 63.546 0.000393767 -3.54045 63.546000 Cu 0.606981 0.279968 0 356 63.546 0.000366615 -3.53957 63.546000 Cu 0.747113 0.284957 0 357 63.546 0.000581517 -3.53898 63.546000 Cu 0.687108 0.264873 0.5 358 63.546 0.000398561 -3.5393 63.546000 Cu 0.667124 0.299928 0.5 359 63.546 0.00182419 -3.53841 63.546000 Cu 0.827107 0.269995 0.5 263 63.546 0.000170324 -3.53999 63.546000 Cu 0.807073 0.305176 0.5 286 63.546 0.000566691 -3.53974 63.546000 Cu 0.886855 0.29018 0 288 63.546 0.000941215 -3.54064 63.546000 Cu 0.966925 0.275055 0.5 290 63.546 0.000341553 -3.54071 63.546000 Cu 0.946704 0.310326 0.5 291 63.546 0.00196281 -3.54127 63.546000 Cu 0.147385 0.334875 1.63246e-16 317 63.546 0.00704052 -3.53728 63.546000 Cu 0.0673113 0.350035 0.5 319 63.546 0.00400462 -3.5386 63.546000 Cu 0.227317 0.32003 0.5 323 63.546 0.00266872 -3.53816 63.546000 Cu 0.208166 0.354981 0.5 346 63.546 0.0129375 -3.53489 63.546000 Cu 0.00683836 0.330301 0 316 63.546 0.0013385 -3.54068 63.546000 Cu 0.287623 0.340442 1.85605e-16 348 63.546 0.00209705 -3.53989 63.546000 Cu 0.427077 0.345825 1.06747e-16 349 63.546 0.00878591 -3.54203 63.546000 Cu 0.367108 0.325576 0.5 350 63.546 0.00379763 -3.54145 63.546000 Cu 0.347583 0.361043 0.5 351 63.546 0.0141898 -3.542 63.546000 Cu 0.487212 0.365695 0.5 376 63.546 0.005783 -3.54055 63.546000 Cu 0.506963 0.330405 0.5 355 63.546 0.00158775 -3.54083 63.546000 Cu 0.567351 0.350112 1.21413e-16 378 63.546 0.00376529 -3.53861 63.546000 Cu 0.708132 0.354995 9.72504e-17 379 63.546 0.01261 -3.535 63.546000 Cu 0.647492 0.334904 0.5 380 63.546 0.00744106 -3.53728 63.546000 Cu 0.727388 0.320018 2.52442e-17 382 63.546 0.00273961 -3.53808 63.546000 Cu 0.867011 0.325496 0 285 63.546 0.00337191 -3.54138 63.546000 Cu 0.787597 0.34042 0.5 287 63.546 0.00209449 -3.54003 63.546000 Cu 0.847532 0.360981 3.1387e-16 312 63.546 0.0139745 -3.54222 63.546000 Cu 0.987238 0.365572 0 313 63.546 0.00453074 -3.54066 63.546000 Cu 0.927037 0.345719 0.5 314 63.546 0.00721038 -3.542 63.546000 Cu 0.109431 0.404098 1.72502e-16 341 63.546 0.10927 -3.52603 63.546000 Cu 0.047964 0.384987 0.5 342 63.546 0.0108311 -3.53721 63.546000 Cu 0.0284393 0.419844 0.5 343 63.546 0.0245632 -3.53277 63.546000 Cu 0.128258 0.369661 0 344 63.546 0.0280053 -3.53357 63.546000 Cu 0.189615 0.38965 0.5 347 63.546 0.0729742 -3.52241 63.546000 Cu 0.250291 0.411346 0 370 63.546 0.0730023 -3.52339 63.546000 Cu 0.268648 0.375766 0 345 63.546 0.0110417 -3.53773 63.546000 Cu 0.387643 0.417398 0 371 63.546 0.0930593 -3.53562 63.546000 Cu 0.328182 0.396809 0.5 372 63.546 0.0570926 -3.54141 63.546000 Cu 0.40743 0.381414 0 374 63.546 0.0288942 -3.54228 63.546000 Cu 0.467572 0.401077 0.5 377 63.546 0.0175769 -3.53928 63.546000 Cu 0.547885 0.385079 4.13525e-17 375 63.546 0.0105688 -3.53708 63.546000 Cu 0.628219 0.369702 0.5 381 63.546 0.0291508 -3.53362 63.546000 Cu 0.528318 0.419949 2.75282e-17 391 63.546 0.0243155 -3.53217 63.546000 Cu 0.609387 0.404151 0.5 393 63.546 0.111046 -3.5259 63.546000 Cu 0.689565 0.389674 4.44779e-17 395 63.546 0.0718901 -3.52246 63.546000 Cu 0.750318 0.41134 0.5 396 63.546 0.0761999 -3.52382 63.546000 Cu 0.828197 0.39674 1.62405e-16 310 63.546 0.0562932 -3.54168 63.546000 Cu 0.768591 0.375753 0.5 311 63.546 0.0112131 -3.53808 63.546000 Cu 0.907444 0.381295 0.5 315 63.546 0.025316 -3.54234 63.546000 Cu 0.887744 0.417262 0.5 338 63.546 0.0849212 -3.53567 63.546000 Cu 0.967631 0.400939 1.05906e-16 340 63.546 0.0152485 -3.53937 63.546000 Cu 0.0900096 0.43808 1 366 63.546 0.437369 -3.49913 63.546000 Cu 0.233396 0.447848 0 367 63.546 5.62686 -3.42507 63.546000 Cu 0.17153 0.423652 0.5 368 63.546 0.474082 -3.4754 63.546000 Cu 0.151545 0.456217 0.5 369 63.546 7.39403 -3.26443 63.546000 Cu 0.0104143 0.454768 0.5 364 63.546 0.194638 -3.53276 63.546000 Cu 0.0800266 0.472306 1.41007e-16 363 63.546 3.40841 -3.47459 63.546000 Cu 0.308633 0.433212 0.5 373 63.546 0.2705 -3.51619 63.546000 Cu 0.287761 0.472382 0.5 386 63.546 4.71758 -3.52462 63.546000 Cu 0.368732 0.454197 5.18108e-17 387 63.546 0.448693 -3.50382 63.546000 Cu 0.447672 0.436668 0.5 389 63.546 0.0723375 -3.52747 63.546000 Cu 0.436241 0.472401 0.5 390 63.546 0.345941 -3.52893 63.546000 Cu 0.51033 0.454888 1 388 63.546 0.196743 -3.53236 63.546000 Cu 0.733345 0.447816 0.5 31 63.546 5.61011 -3.42635 63.546000 Cu 0.651467 0.456215 0 192 63.546 7.39509 -3.26472 63.546000 Cu 0.671499 0.423654 0 392 63.546 0.478817 -3.4755 63.546000 Cu 0.589852 0.438124 0.5 394 63.546 0.44441 -3.49848 63.546000 Cu 0.580039 0.472356 0.5 194 63.546 3.40639 -3.47481 63.546000 Cu 0.787825 0.472287 0 335 63.546 4.70654 -3.52486 63.546000 Cu 0.808654 0.433136 0 336 63.546 0.271094 -3.51699 63.546000 Cu 0.947836 0.436515 1 337 63.546 0.0658375 -3.52778 63.546000 Cu 0.868807 0.454033 0.5 339 63.546 0.430208 -3.50385 63.546000 Cu 0.936266 0.472251 1.11676e-16 362 63.546 0.340717 -3.52912 63.546000 Cu 0.0929517 0.506458 3.05696e-16 1 63.546 0.406563 -3.49643 63.546000 Cu 0.175401 0.520868 0.5 2 63.546 0.426669 -3.48336 63.546000 Cu 0.0323917 0.524662 0.5 6 63.546 0.0235366 -3.53026 63.546000 Cu 0.153725 0.488249 0.5 383 63.546 7.37827 -3.27558 63.546000 Cu 0.235697 0.497003 1.51465e-17 384 63.546 5.65008 -3.43132 63.546000 Cu 0.0122624 0.489758 0.5 365 63.546 0.166377 -3.52905 63.546000 Cu 0.451283 0.50812 0.5 15 63.546 0.0547385 -3.5249 63.546000 Cu 0.312277 0.511548 0.5 33 63.546 0.263367 -3.51799 63.546000 Cu 0.370887 0.490702 0 385 63.546 0.400245 -3.50101 63.546000 Cu 0.512431 0.489863 1.08911e-16 201 63.546 0.165993 -3.52939 63.546000 Cu 0.735821 0.496966 0.5 3 63.546 5.66164 -3.4293 63.546000 Cu 0.532754 0.524746 1 13 63.546 0.0231615 -3.53084 63.546000 Cu 0.593333 0.506488 0.5 14 63.546 0.398148 -3.49724 63.546000 Cu 0.675518 0.520873 0 16 63.546 0.424847 -3.48285 63.546000 Cu 0.653953 0.488245 1 199 63.546 7.37126 -3.27538 63.546000 Cu 0.950973 0.508006 0 4 63.546 0.0599154 -3.52492 63.546000 Cu 0.812114 0.511483 1.20211e-19 360 63.546 0.265124 -3.5169 63.546000 Cu 0.870814 0.490559 0.5 361 63.546 0.40955 -3.50101 63.546000 Cu 0.114183 0.5404 8.46283e-17 8 63.546 0.103292 -3.52603 63.546000 Cu 0.134357 0.574826 1 9 63.546 0.0265017 -3.53382 63.546000 Cu 0.195076 0.554856 0.5 10 63.546 0.065182 -3.52479 63.546000 Cu 0.0535056 0.559501 0.5 11 63.546 0.0104018 -3.53675 63.546000 Cu 0.254894 0.533297 0 32 63.546 0.066431 -3.52754 63.546000 Cu 0.392273 0.527382 1.40887e-16 34 63.546 0.08022 -3.53505 63.546000 Cu 0.413266 0.563289 5.6499e-18 35 63.546 0.0249376 -3.54189 63.546000 Cu 0.472845 0.543652 0.5 36 63.546 0.0142008 -3.53809 63.546000 Cu 0.333593 0.547859 0.5 37 63.546 0.0540336 -3.54209 63.546000 Cu 0.274581 0.568813 0 57 63.546 0.0107313 -3.53853 63.546000 Cu 0.694866 0.554916 0 17 63.546 0.0659708 -3.52457 63.546000 Cu 0.614269 0.54046 0.5 19 63.546 0.103134 -3.52634 63.546000 Cu 0.553561 0.5596 1.0819e-17 38 63.546 0.0107516 -3.53673 63.546000 Cu 0.634141 0.574925 0.5 40 63.546 0.027652 -3.5338 63.546000 Cu 0.972488 0.543554 0 5 63.546 0.0162791 -3.53831 63.546000 Cu 0.891872 0.527295 0.5 7 63.546 0.08606 -3.53496 63.546000 Cu 0.75472 0.533311 0.5 18 63.546 0.0642236 -3.52607 63.546000 Cu 0.833209 0.547835 4.13525e-17 20 63.546 0.0545645 -3.54175 63.546000 Cu 0.913047 0.563212 0.5 22 63.546 0.0269487 -3.54227 63.546000 Cu 0.774309 0.568835 0.5 23 63.546 0.0101349 -3.5386 63.546000 Cu 0.993381 0.578895 0 24 63.546 0.00517634 -3.54058 63.546000 Cu 0.214453 0.589534 0.5 12 63.546 0.0112753 -3.53513 63.546000 Cu 0.0134492 0.614172 1 25 63.546 0.00144637 -3.54057 63.546000 Cu 0.0737964 0.594445 0.5 26 63.546 0.00383748 -3.53853 63.546000 Cu 0.153867 0.609627 0 28 63.546 0.00646702 -3.53712 63.546000 Cu 0.0933195 0.629504 0.5 30 63.546 0.00117597 -3.53913 63.546000 Cu 0.233656 0.624509 0.5 81 63.546 0.00214424 -3.53812 63.546000 Cu 0.293941 0.604128 6.44329e-17 58 63.546 0.00200272 -3.53974 63.546000 Cu 0.353747 0.583589 0.5 59 63.546 0.013672 -3.54202 63.546000 Cu 0.433359 0.598857 0 60 63.546 0.00695845 -3.54197 63.546000 Cu 0.373356 0.619051 0.5 63 63.546 0.00341113 -3.54152 63.546000 Cu 0.493307 0.579019 0.5 41 63.546 0.00421102 -3.54038 63.546000 Cu 0.573621 0.594555 1 39 63.546 0.00430101 -3.53845 63.546000 Cu 0.714368 0.589587 2.19264e-16 42 63.546 0.0120011 -3.5353 63.546000 Cu 0.733972 0.624514 2.84899e-17 43 63.546 0.00266617 -3.53834 63.546000 Cu 0.653914 0.609679 0.5 45 63.546 0.00658556 -3.53748 63.546000 Cu 0.513279 0.614267 0.5 62 63.546 0.00124908 -3.54084 63.546000 Cu 0.593408 0.629562 0 64 63.546 0.00140824 -3.53958 63.546000 Cu 0.85372 0.583552 0 21 63.546 0.013689 -3.54249 63.546000 Cu 0.933559 0.598759 0.5 27 63.546 0.00812262 -3.54207 63.546000 Cu 0.794105 0.604121 0.5 44 63.546 0.00214189 -3.53999 63.546000 Cu 0.873688 0.61899 4.82045e-17 46 63.546 0.00390204 -3.5413 63.546000 Cu 0.173164 0.644616 1 29 63.546 0.00160638 -3.53875 63.546000 Cu 0.0328727 0.64942 1 50 63.546 0.000375016 -3.54042 63.546000 Cu 0.112645 0.664596 0.5 52 63.546 0.00029139 -3.53988 63.546000 Cu 0.192501 0.679663 1.85124e-17 54 63.546 0.000357955 -3.5394 63.546000 Cu 0.453155 0.634229 1 61 63.546 0.00150075 -3.54152 63.546000 Cu 0.31332 0.639345 1.56274e-17 82 63.546 0.00057719 -3.54012 63.546000 Cu 0.332662 0.674515 1.00616e-16 83 63.546 0.000262812 -3.5402 63.546000 Cu 0.393019 0.654349 0.5 84 63.546 0.000895577 -3.54096 63.546000 Cu 0.252987 0.659567 0.5 85 63.546 0.000425911 -3.53933 63.546000 Cu 0.472662 0.669492 1.87649e-16 86 63.546 0.000215723 -3.54081 63.546000 Cu 0.612851 0.664624 9.64089e-17 65 63.546 0.00037084 -3.53972 63.546000 Cu 0.673419 0.644631 0.5 66 63.546 0.00171414 -3.53881 63.546000 Cu 0.533023 0.649462 0.5 67 63.546 0.000354834 -3.54054 63.546000 Cu 0.692507 0.679692 0.5 71 63.546 0.000344955 -3.53897 63.546000 Cu 0.892979 0.654325 0 47 63.546 0.000893238 -3.54067 63.546000 Cu 0.953243 0.634156 0.5 48 63.546 0.00204299 -3.54118 63.546000 Cu 0.813558 0.639326 0.5 49 63.546 0.00079641 -3.53986 63.546000 Cu 0.972419 0.669456 0.5 53 63.546 0.000446936 -3.54081 63.546000 Cu 0.753068 0.659574 1.73103e-16 68 63.546 0.000482597 -3.53891 63.546000 Cu 0.832496 0.674523 0.5 70 63.546 0.000190768 -3.5399 63.546000 Cu 0.0521622 0.684605 0 51 63.546 7.76193e-05 -3.54062 63.546000 Cu 0.211644 0.714754 1.48941e-16 55 63.546 7.59871e-05 -3.53964 63.546000 Cu 0.13197 0.699702 0.5 56 63.546 0.000115256 -3.54009 63.546000 Cu 0.0714221 0.719763 2.15417e-16 76 63.546 5.18284e-05 -3.54049 63.546000 Cu 0.150997 0.734853 0.5 78 63.546 8.85341e-05 -3.54 63.546000 Cu 0.412337 0.689582 0.5 89 63.546 0.000247106 -3.54052 63.546000 Cu 0.272206 0.694659 0.5 107 63.546 8.16034e-05 -3.53952 63.546000 Cu 0.351822 0.709686 5.72203e-17 108 63.546 0.000186193 -3.54001 63.546000 Cu 0.431293 0.7248 0.5 110 63.546 4.70488e-05 -3.54047 63.546000 Cu 0.291175 0.729778 0.5 111 63.546 7.95996e-05 -3.53949 63.546000 Cu 0.491876 0.704716 9.59281e-17 87 63.546 3.3596e-05 -3.54049 63.546000 Cu 0.552346 0.684653 0.5 88 63.546 9.1338e-05 -3.54035 63.546000 Cu 0.631937 0.699762 0 90 63.546 0.00012505 -3.53973 63.546000 Cu 0.650855 0.734933 6.41925e-17 91 63.546 0.000144476 -3.54009 63.546000 Cu 0.711438 0.714814 0.5 92 63.546 6.25901e-05 -3.53964 63.546000 Cu 0.571362 0.719858 0.5 93 63.546 0.000104855 -3.54033 63.546000 Cu 0.991702 0.704661 0.5 74 63.546 6.53463e-05 -3.54067 63.546000 Cu 0.771991 0.694696 9.0158e-17 69 63.546 6.42628e-05 -3.53939 63.546000 Cu 0.91204 0.689575 4.568e-17 72 63.546 0.000176789 -3.54053 63.546000 Cu 0.931221 0.724752 0 73 63.546 6.76135e-05 -3.54046 63.546000 Cu 0.851591 0.709703 0.5 75 63.546 6.24895e-05 -3.54007 63.546000 Cu 0.791062 0.72982 1 94 63.546 3.57141e-05 -3.53969 63.546000 Cu 0.0904785 0.754961 6.0466e-17 77 63.546 0.000104695 -3.54054 63.546000 Cu 0.0109554 0.739852 0.5 79 63.546 7.50986e-05 -3.54058 63.546000 Cu 0.170028 0.770042 0.5 80 63.546 0.000261125 -3.54006 63.546000 Cu 0.0300169 0.775073 0.5 100 63.546 0.000345126 -3.541 63.546000 Cu 0.230535 0.749888 0 131 63.546 6.85425e-05 -3.53952 63.546000 Cu 0.249626 0.785001 0 132 63.546 0.000449646 -3.53926 63.546000 Cu 0.37072 0.744852 5.52969e-17 109 63.546 0.000193641 -3.5399 63.546000 Cu 0.45033 0.760004 0.5 115 63.546 8.87622e-05 -3.54043 63.546000 Cu 0.310122 0.764896 0.5 133 63.546 0.000523974 -3.53939 63.546000 Cu 0.389873 0.779994 1.12517e-16 134 63.546 0.000387084 -3.53973 63.546000 Cu 0.730459 0.749936 0.5 97 63.546 9.61354e-05 -3.53959 63.546000 Cu 0.510873 0.739956 0 112 63.546 0.000145316 -3.54065 63.546000 Cu 0.529974 0.775192 0 113 63.546 0.000590901 -3.54081 63.546000 Cu 0.590407 0.75507 0.5 114 63.546 0.000275948 -3.54059 63.546000 Cu 0.669909 0.770115 0 116 63.546 0.000364981 -3.54002 63.546000 Cu 0.74947 0.785027 0.5 118 63.546 0.00061053 -3.53907 63.546000 Cu 0.810039 0.764891 0 95 63.546 0.000538645 -3.53917 63.546000 Cu 0.87074 0.744837 0.5 96 63.546 0.000164547 -3.53979 63.546000 Cu 0.950358 0.759916 0 98 63.546 0.000118469 -3.54043 63.546000 Cu 0.8898 0.779928 0.5 101 63.546 0.000544696 -3.53971 63.546000 Cu 0.109671 0.790212 0 102 63.546 0.000821101 -3.541 63.546000 Cu 0.129107 0.825537 0 103 63.546 0.00375275 -3.54146 63.546000 Cu 0.189264 0.805231 0.5 104 63.546 0.00051544 -3.54023 63.546000 Cu 0.0494623 0.81034 0.5 105 63.546 0.00167015 -3.5413 63.546000 Cu 0.208644 0.840465 0.5 106 63.546 0.00231596 -3.53992 63.546000 Cu 0.409201 0.815104 1.96544e-16 135 63.546 0.00129135 -3.53909 63.546000 Cu 0.46961 0.795208 0.5 136 63.546 0.000312043 -3.54037 63.546000 Cu 0.329374 0.799983 0.5 137 63.546 0.00160085 -3.53875 63.546000 Cu 0.268846 0.820087 1.44493e-16 157 63.546 0.00229002 -3.53817 63.546000 Cu 0.348737 0.834946 0.5 159 63.546 0.00740026 -3.53709 63.546000 Cu 0.489241 0.830433 0.5 141 63.546 0.00145662 -3.54053 63.546000 Cu 0.689155 0.805297 4.74832e-17 117 63.546 0.000766751 -3.54014 63.546000 Cu 0.609554 0.790329 0.5 119 63.546 0.00134294 -3.54091 63.546000 Cu 0.549354 0.810478 1.20211e-19 138 63.546 0.00229063 -3.54143 63.546000 Cu 0.629043 0.825644 0.5 140 63.546 0.00474388 -3.54161 63.546000 Cu 0.708644 0.84049 5.89032e-18 142 63.546 0.00241735 -3.53978 63.546000 Cu 0.989323 0.830285 0 124 63.546 0.00125843 -3.54046 63.546000 Cu 0.969664 0.795088 8.65517e-18 99 63.546 0.000323994 -3.54045 63.546000 Cu 0.829306 0.799927 0 120 63.546 0.00204842 -3.53864 63.546000 Cu 0.84879 0.834848 0 121 63.546 0.00841227 -3.53703 63.546000 Cu 0.909277 0.814987 0.5 122 63.546 0.00163654 -3.53909 63.546000 Cu 0.768828 0.820062 0.5 123 63.546 0.00256736 -3.53804 63.546000 Cu 0.0093712 0.865553 2.40421e-19 125 63.546 0.004486 -3.5406 63.546000 Cu 0.0692704 0.845721 0.5 126 63.546 0.00715411 -3.54186 63.546000 Cu 0.148988 0.861006 0 128 63.546 0.0145007 -3.54215 63.546000 Cu 0.0894943 0.881302 0.5 130 63.546 0.0262997 -3.54222 63.546000 Cu 0.228213 0.875774 0.5 179 63.546 0.0109122 -3.53822 63.546000 Cu 0.288234 0.855044 1 158 63.546 0.0115656 -3.53499 63.546000 Cu 0.428977 0.850128 0 160 63.546 0.00399762 -3.53855 63.546000 Cu 0.449056 0.885088 1.50624e-16 161 63.546 0.0102135 -3.53695 63.546000 Cu 0.368404 0.86973 0.5 163 63.546 0.0282132 -3.53377 63.546000 Cu 0.307508 0.889704 0 180 63.546 0.0694216 -3.52367 63.546000 Cu 0.569235 0.845857 0 139 63.546 0.00868227 -3.54195 63.546000 Cu 0.728263 0.875755 1 143 63.546 0.0104671 -3.53797 63.546000 Cu 0.648992 0.861078 0.5 145 63.546 0.0160089 -3.54215 63.546000 Cu 0.50935 0.865692 0.5 162 63.546 0.00476805 -3.54067 63.546000 Cu 0.589548 0.881407 1.22615e-16 164 63.546 0.0285128 -3.54245 63.546000 Cu 0.929021 0.849991 0.5 127 63.546 0.00477536 -3.53854 63.546000 Cu 0.788269 0.854976 0.5 144 63.546 0.012649 -3.53476 63.546000 Cu 0.86844 0.869608 1 146 63.546 0.030546 -3.53369 63.546000 Cu 0.949049 0.884942 0.5 148 63.546 0.0116375 -3.53687 63.546000 Cu 0.807569 0.889618 0.5 149 63.546 0.0710446 -3.52355 63.546000 Cu 0.169003 0.896757 0 129 63.546 0.0572601 -3.5419 63.546000 Cu 0.0296974 0.900927 1.20571e-16 150 63.546 0.0151152 -3.53825 63.546000 Cu 0.0505428 0.93649 0 151 63.546 0.0637964 -3.52607 63.546000 Cu 0.110062 0.917248 0.5 152 63.546 0.085589 -3.53484 63.546000 Cu 0.189538 0.933117 0 154 63.546 0.268198 -3.51768 63.546000 Cu 0.247402 0.911326 0.5 183 63.546 0.0705203 -3.52595 63.546000 Cu 0.326573 0.923691 5.04885e-18 181 63.546 0.45377 -3.47807 63.546000 Cu 0.388127 0.904168 0.5 182 63.546 0.107077 -3.52592 63.546000 Cu 0.469646 0.919919 0 184 63.546 0.0238488 -3.53097 63.546000 Cu 0.408674 0.938116 0.5 187 63.546 0.426912 -3.49665 63.546000 Cu 0.6102 0.917311 8.73931e-17 165 63.546 0.0875901 -3.53524 63.546000 Cu 0.669126 0.896787 0.5 166 63.546 0.0582984 -3.54188 63.546000 Cu 0.529791 0.901048 0.5 167 63.546 0.016126 -3.53852 63.546000 Cu 0.689701 0.933112 0.5 171 63.546 0.267971 -3.51724 63.546000 Cu 0.550742 0.936582 0.5 186 63.546 0.0670454 -3.52613 63.546000 Cu 0.747515 0.911284 0 168 63.546 0.067825 -3.52548 63.546000 Cu 0.888098 0.904046 1 147 63.546 0.111543 -3.52638 63.546000 Cu 0.969519 0.919793 0.5 153 63.546 0.0250046 -3.53135 63.546000 Cu 0.826645 0.923625 0.5 170 63.546 0.448936 -3.47927 63.546000 Cu 0.908602 0.93804 8.3306e-17 172 63.546 0.428241 -3.49842 63.546000 Cu 0.21189 0.972222 2.99324e-17 155 63.546 4.71693 -3.52529 63.546000 Cu 0.130125 0.954001 0.5 156 63.546 0.428856 -3.50305 63.546000 Cu 0.0633353 0.972253 2.65786e-16 176 63.546 0.346136 -3.52939 63.546000 Cu 0.129448 0.990515 0.5 177 63.546 0.418389 -3.50164 63.546000 Cu 0.264671 0.996819 0.5 215 63.546 5.62507 -3.42905 63.546000 Cu 0.265509 0.947721 0.5 195 63.546 5.61671 -3.42882 63.546000 Cu 0.347425 0.956209 5.54171e-17 196 63.546 7.37159 -3.26764 63.546000 Cu 0.346651 0.988258 0 197 63.546 7.3696 -3.27139 63.546000 Cu 0.419793 0.972275 0.5 198 63.546 3.42491 -3.47511 63.546000 Cu 0.488791 0.954816 5.32533e-17 185 63.546 0.192886 -3.53122 63.546000 Cu 0.488097 0.989775 0 200 63.546 0.178382 -3.53029 63.546000 Cu 0.630442 0.954043 1.12517e-16 188 63.546 0.440981 -3.503 63.546000 Cu 0.629736 0.990555 5.74607e-17 189 63.546 0.427284 -3.50175 63.546000 Cu 0.71219 0.972277 0.5 190 63.546 4.76083 -3.52449 63.546000 Cu 0.563669 0.972298 0.5 191 63.546 0.356149 -3.52918 63.546000 Cu 0.76485 0.996957 1.87288e-16 202 63.546 5.6722 -3.42822 63.546000 Cu 0.765678 0.947668 1.23817e-17 169 63.546 5.64525 -3.42745 63.546000 Cu 0.988588 0.954746 0.5 174 63.546 0.191346 -3.5318 63.546000 Cu 0.987918 0.989774 0.5 178 63.546 0.176148 -3.5307 63.546000 Cu 0.919655 0.972265 1.62405e-16 173 63.546 3.44135 -3.47592 63.546000 Cu 0.847456 0.956198 0.5 175 63.546 7.39169 -3.26874 63.546000 Cu 0.846609 0.988273 0.5 193 63.546 7.37178 -3.27343