Number of particles = 396 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.1032 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 72.4072 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60141 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 0.0274822 0.0438531 1.01153e-17 209 63.546 0.0123103 -3.5412 63.546000 Cu 0.0475248 0.00832278 0 212 63.546 0.0530189 -3.51973 63.546000 Cu 0.186246 0.0119489 1.01153e-17 213 63.546 0.233577 -3.52642 63.546000 Cu 0.10731 0.0276584 0.5 214 63.546 0.0625335 -3.53859 63.546000 Cu 0.166636 0.0480214 1.01153e-17 226 63.546 0.0448159 -3.54757 63.546000 Cu 0.245222 0.0332164 0.5 228 63.546 0.0938817 -3.52606 63.546000 Cu 0.305351 0.0548422 0 227 63.546 0.0576619 -3.5178 63.546000 Cu 0.324467 0.0209068 1.21383e-16 230 63.546 0.452626 -3.46831 63.546000 Cu 0.467068 0.024852 0 231 63.546 0.0228057 -3.53037 63.546000 Cu 0.406049 0.00647589 0.5 232 63.546 0.420815 -3.48134 63.546000 Cu 0.386106 0.0404508 0.5 233 63.546 0.0973667 -3.51003 63.546000 Cu 0.547573 0.00828684 0.5 234 63.546 0.0546248 -3.51999 63.546000 Cu 0.527507 0.0438029 0.5 254 63.546 0.0135708 -3.54122 63.546000 Cu 0.607321 0.0276487 6.21366e-17 256 63.546 0.0634741 -3.53892 63.546000 Cu 0.745221 0.0332734 1.01153e-17 257 63.546 0.0896558 -3.52604 63.546000 Cu 0.686266 0.0119849 0.5 258 63.546 0.227468 -3.52629 63.546000 Cu 0.666617 0.048047 0.5 259 63.546 0.042948 -3.54761 63.546000 Cu 0.906083 0.00651433 1.44504e-16 203 63.546 0.414925 -3.4813 63.546000 Cu 0.824466 0.0209572 0.5 204 63.546 0.448326 -3.46876 63.546000 Cu 0.805367 0.0548886 0.5 206 63.546 0.0565718 -3.51793 63.546000 Cu 0.8861 0.040492 1.01153e-17 208 63.546 0.0958843 -3.51062 63.546000 Cu 0.967061 0.024901 0.5 210 63.546 0.0236074 -3.53058 63.546000 Cu 0.146738 0.0837305 9.72992e-17 223 63.546 0.0102099 -3.54558 63.546000 Cu 0.0872401 0.0634859 0.5 224 63.546 0.0189916 -3.54597 63.546000 Cu 0.0670693 0.0989898 0.5 225 63.546 0.00489298 -3.54373 63.546000 Cu 0.225957 0.0688381 0.5 229 63.546 0.0125734 -3.54038 63.546000 Cu 0.206489 0.10417 0.5 246 63.546 0.00210365 -3.54087 63.546000 Cu 0.00716432 0.0791367 0 222 63.546 0.00374834 -3.54209 63.546000 Cu 0.286109 0.0895416 4.81679e-19 248 63.546 0.00883026 -3.53262 63.546000 Cu 0.42685 0.0945211 4.81679e-19 249 63.546 0.00307567 -3.53726 63.546000 Cu 0.366202 0.0748557 0.5 250 63.546 0.0224147 -3.52733 63.546000 Cu 0.346609 0.109635 0.5 251 63.546 0.00448474 -3.53446 63.546000 Cu 0.446806 0.0596294 6.35816e-17 252 63.546 0.00975181 -3.53569 63.546000 Cu 0.50718 0.0790755 0.5 255 63.546 0.00434421 -3.54237 63.546000 Cu 0.587232 0.0634696 2.84191e-17 253 63.546 0.0190174 -3.54619 63.546000 Cu 0.567079 0.0989721 9.63358e-17 280 63.546 0.00462399 -3.54405 63.546000 Cu 0.706511 0.104202 5.1058e-17 281 63.546 0.00205071 -3.54066 63.546000 Cu 0.646742 0.0837461 0.5 282 63.546 0.0095832 -3.54561 63.546000 Cu 0.725966 0.0688828 1.01153e-17 284 63.546 0.0118128 -3.54028 63.546000 Cu 0.866215 0.0749221 1.01153e-17 205 63.546 0.0230314 -3.52781 63.546000 Cu 0.78614 0.0895935 0.5 207 63.546 0.0085431 -3.53263 63.546000 Cu 0.946792 0.0596973 0.5 211 63.546 0.0105353 -3.53614 63.546000 Cu 0.846598 0.10971 1.01153e-17 218 63.546 0.00526022 -3.53445 63.546000 Cu 0.926825 0.0946028 0.5 220 63.546 0.0036724 -3.53716 63.546000 Cu 0.107172 0.154446 1.33907e-16 241 63.546 0.000458499 -3.54157 63.546000 Cu 0.047123 0.134322 0.5 242 63.546 0.00119699 -3.54216 63.546000 Cu 0.126869 0.119149 0 244 63.546 0.00239378 -3.54299 63.546000 Cu 0.186899 0.139407 0.5 247 63.546 0.000407829 -3.54037 63.546000 Cu 0.247047 0.159597 1.01153e-17 272 63.546 0.000194708 -3.53857 63.546000 Cu 0.26661 0.124518 0 245 63.546 0.00151517 -3.53711 63.546000 Cu 0.387209 0.164647 1.01153e-17 273 63.546 0.000191775 -3.5392 63.546000 Cu 0.326934 0.144617 0.5 274 63.546 0.000733442 -3.53746 63.546000 Cu 0.406985 0.129551 0 276 63.546 0.000801731 -3.53864 63.546000 Cu 0.487089 0.114308 0.5 278 63.546 0.000969838 -3.54126 63.546000 Cu 0.467208 0.149513 0.5 279 63.546 0.000201423 -3.54079 63.546000 Cu 0.547108 0.134312 5.29847e-18 277 63.546 0.000936751 -3.54216 63.546000 Cu 0.626868 0.119159 0.5 283 63.546 0.00219556 -3.54283 63.546000 Cu 0.607139 0.154447 0.5 306 63.546 0.000447556 -3.54146 63.546000 Cu 0.686876 0.13942 1.01634e-16 308 63.546 0.000496017 -3.54022 63.546000 Cu 0.74703 0.159625 0.5 309 63.546 0.000230681 -3.53851 63.546000 Cu 0.826904 0.144679 1.05969e-16 216 63.546 0.00113341 -3.53736 63.546000 Cu 0.766602 0.124563 0.5 217 63.546 0.00150109 -3.53698 63.546000 Cu 0.98706 0.11436 1.92672e-17 219 63.546 0.000859975 -3.54091 63.546000 Cu 0.906948 0.129621 0.5 221 63.546 0.00114095 -3.53843 63.546000 Cu 0.887213 0.164692 0.5 238 63.546 0.000330474 -3.5389 63.546000 Cu 0.967219 0.149545 1.51247e-16 240 63.546 0.00024372 -3.54064 63.546000 Cu 0.0273216 0.169569 0.5 243 63.546 0.000243837 -3.54115 63.546000 Cu 0.0873522 0.189671 7.41786e-17 268 63.546 7.34176e-05 -3.54066 63.546000 Cu 0.227374 0.194728 0 269 63.546 1.1265e-05 -3.53947 63.546000 Cu 0.167213 0.17461 0.5 270 63.546 8.45245e-05 -3.54013 63.546000 Cu 0.147465 0.209775 0.5 271 63.546 4.95599e-05 -3.53984 63.546000 Cu 0.00750013 0.204768 0.5 266 63.546 8.46069e-06 -3.54065 63.546000 Cu 0.307264 0.179699 0.5 275 63.546 8.06903e-05 -3.53867 63.546000 Cu 0.287582 0.214826 0.5 298 63.546 1.98738e-05 -3.53955 63.546000 Cu 0.367444 0.199771 1.01153e-17 300 63.546 3.98671e-05 -3.53948 63.546000 Cu 0.447331 0.184688 0.5 302 63.546 4.20216e-05 -3.54016 63.546000 Cu 0.427563 0.219867 0.5 303 63.546 4.37527e-05 -3.54029 63.546000 Cu 0.507422 0.204763 4.23878e-17 301 63.546 3.3302e-06 -3.54055 63.546000 Cu 0.527277 0.169563 0 304 63.546 0.000137379 -3.54111 63.546000 Cu 0.667197 0.174608 1.01153e-17 305 63.546 0.000117158 -3.54016 63.546000 Cu 0.587305 0.18966 0.5 307 63.546 9.22197e-05 -3.54068 63.546000 Cu 0.647403 0.209767 1.01153e-17 332 63.546 6.96999e-05 -3.53988 63.546000 Cu 0.727331 0.194734 0.5 333 63.546 3.80871e-05 -3.53939 63.546000 Cu 0.787555 0.214821 1.01153e-17 235 63.546 6.25454e-06 -3.53936 63.546000 Cu 0.807252 0.179731 4.43145e-17 236 63.546 0.000175941 -3.53837 63.546000 Cu 0.94739 0.184702 1.01153e-17 237 63.546 7.698e-05 -3.54009 63.546000 Cu 0.867476 0.199783 0.5 239 63.546 6.33137e-05 -3.53928 63.546000 Cu 0.927635 0.219864 0 264 63.546 5.18133e-05 -3.54031 63.546000 Cu 0.0675932 0.224848 1.01634e-16 265 63.546 4.00744e-05 -3.54012 63.546000 Cu 0.0478813 0.260005 1.01153e-17 292 63.546 6.52147e-05 -3.54037 63.546000 Cu 0.188054 0.264957 1.01153e-17 293 63.546 0.00028129 -3.53841 63.546000 Cu 0.127809 0.244898 0.5 294 63.546 0.000117358 -3.53919 63.546000 Cu 0.207677 0.229857 1.54137e-17 296 63.546 3.39812e-05 -3.53909 63.546000 Cu 0.347696 0.234929 4.81679e-19 297 63.546 3.41366e-05 -3.53989 63.546000 Cu 0.267861 0.249956 0.5 299 63.546 5.64137e-05 -3.53905 63.546000 Cu 0.328057 0.270098 0 324 63.546 0.00014224 -3.54015 63.546000 Cu 0.467909 0.275151 1.01153e-17 325 63.546 0.00044324 -3.54121 63.546000 Cu 0.40779 0.255046 0.5 326 63.546 0.000157897 -3.54068 63.546000 Cu 0.487641 0.239955 4.81679e-19 328 63.546 8.58875e-05 -3.54067 63.546000 Cu 0.627741 0.24489 1.01153e-17 329 63.546 0.000108821 -3.53937 63.546000 Cu 0.567524 0.224839 0.5 330 63.546 5.05288e-05 -3.54017 63.546000 Cu 0.547783 0.259997 0.5 331 63.546 8.68133e-05 -3.54038 63.546000 Cu 0.707617 0.229847 0.5 334 63.546 2.92712e-05 -3.53915 63.546000 Cu 0.687999 0.264937 0.5 358 63.546 0.000242285 -3.53856 63.546000 Cu 0.767883 0.249928 4.81679e-19 260 63.546 6.514e-05 -3.53911 63.546000 Cu 0.907876 0.255032 1.05969e-17 261 63.546 0.000141719 -3.54069 63.546000 Cu 0.847759 0.234909 0.5 262 63.546 4.0116e-05 -3.53984 63.546000 Cu 0.828083 0.270059 0.5 263 63.546 0.00010812 -3.5402 63.546000 Cu 0.987735 0.239951 0.5 267 63.546 6.95069e-05 -3.54066 63.546000 Cu 0.967983 0.275138 0.5 290 63.546 0.000382715 -3.54131 63.546000 Cu 0.0281908 0.295159 1.01153e-17 289 63.546 0.000291602 -3.54051 63.546000 Cu 0.108154 0.280001 0.5 295 63.546 0.000397268 -3.53909 63.546000 Cu 0.0884812 0.315052 0.5 318 63.546 0.00147032 -3.53803 63.546000 Cu 0.16853 0.300003 1.01153e-17 320 63.546 0.00155266 -3.53712 63.546000 Cu 0.248377 0.285075 0.5 322 63.546 0.000335803 -3.53863 63.546000 Cu 0.228854 0.320136 0.5 323 63.546 0.00177419 -3.5367 63.546000 Cu 0.0084202 0.330325 4.81679e-19 316 63.546 0.00113895 -3.54123 63.546000 Cu 0.308586 0.305305 5.58748e-17 321 63.546 0.000704714 -3.54078 63.546000 Cu 0.388222 0.29028 0.5 327 63.546 0.00074408 -3.54177 63.546000 Cu 0.368554 0.325588 0.5 350 63.546 0.00354225 -3.54342 63.546000 Cu 0.448317 0.310411 1.01153e-17 352 63.546 0.00178701 -3.5422 63.546000 Cu 0.508453 0.330327 0.5 355 63.546 0.000936044 -3.54107 63.546000 Cu 0.588505 0.315051 0 353 63.546 0.00135056 -3.5379 63.546000 Cu 0.528166 0.295157 0.5 354 63.546 0.000287212 -3.54037 63.546000 Cu 0.608062 0.27999 0 356 63.546 0.000384607 -3.53907 63.546000 Cu 0.748335 0.28503 4.81679e-19 357 63.546 0.000411882 -3.53872 63.546000 Cu 0.668511 0.299981 0.5 359 63.546 0.00145492 -3.53718 63.546000 Cu 0.728871 0.320094 1.01153e-17 382 63.546 0.00186131 -3.53655 63.546000 Cu 0.868554 0.325534 1.01153e-17 285 63.546 0.00301466 -3.54302 63.546000 Cu 0.808563 0.305252 0.5 286 63.546 0.000502414 -3.54049 63.546000 Cu 0.888224 0.290247 4.81679e-19 288 63.546 0.00066973 -3.5417 63.546000 Cu 0.948299 0.310377 0.5 291 63.546 0.00156594 -3.54214 63.546000 Cu 0.148998 0.334943 0 317 63.546 0.00691503 -3.53371 63.546000 Cu 0.0689436 0.350044 0.5 319 63.546 0.0043284 -3.53748 63.546000 Cu 0.0495294 0.38493 0.5 342 63.546 0.0113597 -3.53642 63.546000 Cu 0.129841 0.369688 0 344 63.546 0.028683 -3.52596 63.546000 Cu 0.209738 0.355074 0.5 346 63.546 0.0107361 -3.5312 63.546000 Cu 0.270163 0.375887 1.25237e-17 345 63.546 0.0173708 -3.53961 63.546000 Cu 0.289072 0.340539 0 348 63.546 0.0030483 -3.5407 63.546000 Cu 0.428529 0.345735 0 349 63.546 0.00624012 -3.54426 63.546000 Cu 0.349102 0.361008 0.5 351 63.546 0.0132656 -3.546 63.546000 Cu 0.408945 0.381235 1.18975e-16 374 63.546 0.021457 -3.54605 63.546000 Cu 0.488769 0.365537 0.5 376 63.546 0.00386822 -3.54267 63.546000 Cu 0.549438 0.384927 1.01153e-17 375 63.546 0.0115759 -3.53608 63.546000 Cu 0.568926 0.350045 0 378 63.546 0.0042124 -3.53746 63.546000 Cu 0.709748 0.355033 0 379 63.546 0.0106877 -3.53143 63.546000 Cu 0.649016 0.334928 0.5 380 63.546 0.00644277 -3.53373 63.546000 Cu 0.629816 0.369673 0.5 381 63.546 0.0273838 -3.52618 63.546000 Cu 0.789104 0.340472 0.5 287 63.546 0.0024352 -3.54049 63.546000 Cu 0.770232 0.375807 0.5 311 63.546 0.015631 -3.53967 63.546000 Cu 0.849169 0.360938 5.78015e-18 312 63.546 0.0115561 -3.54599 63.546000 Cu 0.988835 0.365535 7.89954e-17 313 63.546 0.00416456 -3.54276 63.546000 Cu 0.92858 0.3457 0.5 314 63.546 0.00600444 -3.54427 63.546000 Cu 0.909046 0.381193 0.5 315 63.546 0.0210215 -3.54628 63.546000 Cu 0.110677 0.404048 1.4643e-16 341 63.546 0.117717 -3.50767 63.546000 Cu 0.0302439 0.419722 0.5 343 63.546 0.0239942 -3.53235 63.546000 Cu 0.191101 0.389705 0.5 347 63.546 0.0721438 -3.51306 63.546000 Cu 0.0920884 0.438021 6.74351e-17 366 63.546 0.506928 -3.48187 63.546000 Cu 0.172897 0.4235 0.5 368 63.546 0.60472 -3.45844 63.546000 Cu 0.251974 0.411566 0 370 63.546 0.134638 -3.52201 63.546000 Cu 0.389919 0.417077 4.09427e-17 371 63.546 0.0667085 -3.53872 63.546000 Cu 0.329981 0.396714 0.5 372 63.546 0.0523476 -3.54711 63.546000 Cu 0.311464 0.432867 0.5 373 63.546 0.260026 -3.52576 63.546000 Cu 0.469165 0.40082 0.5 377 63.546 0.0142973 -3.54147 63.546000 Cu 0.450575 0.436357 0.5 389 63.546 0.0587752 -3.52266 63.546000 Cu 0.530218 0.419709 0 391 63.546 0.0246893 -3.53223 63.546000 Cu 0.672938 0.423487 0 392 63.546 0.560699 -3.45979 63.546000 Cu 0.610625 0.404021 0.5 393 63.546 0.115537 -3.5084 63.546000 Cu 0.592122 0.437986 0.5 394 63.546 0.488626 -3.48183 63.546000 Cu 0.691127 0.389657 3.9016e-17 395 63.546 0.0709982 -3.51429 63.546000 Cu 0.75201 0.411454 0.5 396 63.546 0.120715 -3.52343 63.546000 Cu 0.830064 0.396635 0 310 63.546 0.0486793 -3.54707 63.546000 Cu 0.811567 0.432749 3.85343e-18 336 63.546 0.243122 -3.52546 63.546000 Cu 0.950594 0.436362 1.01153e-17 337 63.546 0.0590908 -3.52287 63.546000 Cu 0.89 0.417029 0.5 338 63.546 0.0660607 -3.53909 63.546000 Cu 0.969237 0.400816 0 340 63.546 0.0147506 -3.54191 63.546000 Cu 0.0809613 0.472329 5.44297e-17 363 63.546 3.26114 -3.50116 63.546000 Cu 0.236959 0.448757 2.07122e-17 367 63.546 5.5753 -3.47513 63.546000 Cu 0.152758 0.456159 0.5 369 63.546 7.75419 -3.2888 63.546000 Cu 0.155074 0.488178 0.5 383 63.546 7.69656 -3.30952 63.546000 Cu 0.23806 0.496633 9.20007e-17 384 63.546 5.56965 -3.47939 63.546000 Cu 0.0128554 0.454716 0.5 364 63.546 0.173053 -3.53274 63.546000 Cu 0.0142483 0.489974 0.5 365 63.546 0.162548 -3.53163 63.546000 Cu 0.37357 0.490937 2.16756e-17 385 63.546 0.347908 -3.49746 63.546000 Cu 0.290427 0.472528 0.5 386 63.546 4.55676 -3.52086 63.546000 Cu 0.372403 0.453929 3.51626e-17 387 63.546 0.338414 -3.49282 63.546000 Cu 0.438931 0.472364 0.5 390 63.546 0.349014 -3.52683 63.546000 Cu 0.514342 0.489949 2.4084e-18 201 63.546 0.159497 -3.5316 63.546000 Cu 0.512933 0.454689 0 388 63.546 0.171796 -3.53253 63.546000 Cu 0.738123 0.496512 0.5 3 63.546 5.56445 -3.47766 63.546000 Cu 0.736745 0.448493 0.5 31 63.546 5.59218 -3.47534 63.546000 Cu 0.652918 0.456108 1.01153e-17 192 63.546 7.71272 -3.29068 63.546000 Cu 0.581004 0.472291 0.5 194 63.546 3.30786 -3.50143 63.546000 Cu 0.655034 0.488166 1.21383e-16 199 63.546 7.70179 -3.30819 63.546000 Cu 0.790204 0.472342 0 335 63.546 4.59877 -3.52037 63.546000 Cu 0.872218 0.453867 0.5 339 63.546 0.348443 -3.49385 63.546000 Cu 0.873511 0.490906 0.5 361 63.546 0.349971 -3.49547 63.546000 Cu 0.93875 0.472371 7.70687e-18 362 63.546 0.3589 -3.52659 63.546000 Cu 0.0945521 0.506507 0 1 63.546 0.403014 -3.48134 63.546000 Cu 0.176214 0.520889 0.5 2 63.546 0.422511 -3.46971 63.546000 Cu 0.0335372 0.524889 0.5 6 63.546 0.0245479 -3.5308 63.546000 Cu 0.114507 0.540431 1.01153e-17 8 63.546 0.0927913 -3.51079 63.546000 Cu 0.195156 0.55481 0.5 10 63.546 0.0530072 -3.51781 63.546000 Cu 0.453119 0.508323 0.5 15 63.546 0.0508407 -3.52091 63.546000 Cu 0.255407 0.53323 4.23878e-17 32 63.546 0.0893116 -3.52677 63.546000 Cu 0.314454 0.511981 0.5 33 63.546 0.218123 -3.52718 63.546000 Cu 0.393321 0.527676 3.94977e-17 34 63.546 0.0587103 -3.53991 63.546000 Cu 0.47303 0.543813 0.5 36 63.546 0.0127187 -3.54159 63.546000 Cu 0.333872 0.548025 0.5 37 63.546 0.0426185 -3.54808 63.546000 Cu 0.533515 0.524858 1.17048e-16 13 63.546 0.0236008 -3.53099 63.546000 Cu 0.594584 0.506462 0.5 14 63.546 0.405138 -3.48108 63.546000 Cu 0.676163 0.520878 9.82625e-17 16 63.546 0.439859 -3.46836 63.546000 Cu 0.695118 0.554776 2.4084e-17 17 63.546 0.0539901 -3.51778 63.546000 Cu 0.614441 0.540398 0.5 19 63.546 0.0928781 -3.51037 63.546000 Cu 0.953101 0.50835 6.79168e-17 4 63.546 0.0500041 -3.52026 63.546000 Cu 0.97309 0.543843 4.81679e-19 5 63.546 0.0119365 -3.5414 63.546000 Cu 0.893299 0.527663 0.5 7 63.546 0.0600161 -3.53949 63.546000 Cu 0.755353 0.53318 0.5 18 63.546 0.0947073 -3.52652 63.546000 Cu 0.833935 0.547995 1.49321e-17 20 63.546 0.0437716 -3.54832 63.546000 Cu 0.814376 0.511964 5.63565e-17 360 63.546 0.227495 -3.52726 63.546000 Cu 0.134418 0.574845 1.39687e-17 9 63.546 0.0228351 -3.52752 63.546000 Cu 0.0538178 0.559638 0.5 11 63.546 0.0101222 -3.53588 63.546000 Cu 0.214527 0.589485 0.5 12 63.546 0.00761577 -3.53255 63.546000 Cu 0.0738437 0.594524 0.5 26 63.546 0.00388719 -3.53714 63.546000 Cu 0.153989 0.609607 1.1175e-16 28 63.546 0.00501858 -3.53437 63.546000 Cu 0.41332 0.563462 6.55084e-17 35 63.546 0.017141 -3.546 63.546000 Cu 0.27459 0.568808 0 57 63.546 0.0122438 -3.54038 63.546000 Cu 0.294062 0.604101 2.16756e-17 58 63.546 0.00217877 -3.54099 63.546000 Cu 0.353908 0.583684 0.5 59 63.546 0.00952323 -3.54559 63.546000 Cu 0.433545 0.598918 0 60 63.546 0.0044032 -3.54401 63.546000 Cu 0.493469 0.579053 0.5 41 63.546 0.00360818 -3.54184 63.546000 Cu 0.553703 0.559603 9.1519e-17 38 63.546 0.00980621 -3.53591 63.546000 Cu 0.573854 0.594479 0 39 63.546 0.0036253 -3.53723 63.546000 Cu 0.634381 0.574801 0.5 40 63.546 0.0223407 -3.52754 63.546000 Cu 0.714629 0.589439 2.00379e-16 42 63.546 0.00813162 -3.53264 63.546000 Cu 0.65412 0.609538 0.5 45 63.546 0.00449099 -3.53452 63.546000 Cu 0.993521 0.579076 0 24 63.546 0.00354056 -3.5418 63.546000 Cu 0.85399 0.583658 1.01153e-17 21 63.546 0.00983838 -3.54565 63.546000 Cu 0.91339 0.56345 0.5 22 63.546 0.0176104 -3.5458 63.546000 Cu 0.774647 0.568754 0.5 23 63.546 0.0134637 -3.54091 63.546000 Cu 0.933614 0.598921 0.5 27 63.546 0.0044641 -3.54383 63.546000 Cu 0.794171 0.604064 0.5 44 63.546 0.00241274 -3.54091 63.546000 Cu 0.0134641 0.614282 1.01153e-17 25 63.546 0.000915523 -3.54117 63.546000 Cu 0.173284 0.644541 1.01153e-16 29 63.546 0.000764761 -3.53738 63.546000 Cu 0.0933874 0.629518 0.5 30 63.546 0.00118364 -3.53828 63.546000 Cu 0.0329348 0.649452 3.61259e-17 50 63.546 0.000218676 -3.54071 63.546000 Cu 0.112671 0.664564 0.5 52 63.546 0.000227841 -3.53918 63.546000 Cu 0.23385 0.624445 0.5 81 63.546 0.00153267 -3.5372 63.546000 Cu 0.45321 0.634215 6.93618e-17 61 63.546 0.00108013 -3.54218 63.546000 Cu 0.373588 0.619074 0.5 63 63.546 0.0020174 -3.54305 63.546000 Cu 0.313424 0.639324 1.06451e-16 82 63.546 0.000517756 -3.54055 63.546000 Cu 0.392936 0.654356 0.5 84 63.546 0.000334628 -3.54148 63.546000 Cu 0.252901 0.659516 0.5 85 63.546 0.000176846 -3.53876 63.546000 Cu 0.73389 0.624414 1.11268e-16 43 63.546 0.00156134 -3.53718 63.546000 Cu 0.513499 0.614237 0.5 62 63.546 0.00098422 -3.54125 63.546000 Cu 0.593456 0.629453 4.81679e-19 64 63.546 0.00083643 -3.53841 63.546000 Cu 0.612706 0.664517 4.81679e-19 65 63.546 0.000244836 -3.53907 63.546000 Cu 0.673327 0.644498 0.5 66 63.546 0.00082007 -3.5373 63.546000 Cu 0.533 0.649389 0.5 67 63.546 0.000262989 -3.54055 63.546000 Cu 0.873644 0.619064 4.81679e-19 46 63.546 0.00227847 -3.5428 63.546000 Cu 0.892854 0.654349 6.79168e-17 47 63.546 0.00044174 -3.54146 63.546000 Cu 0.953176 0.634245 0.5 48 63.546 0.00091706 -3.54218 63.546000 Cu 0.813414 0.639285 0.5 49 63.546 0.000670372 -3.54021 63.546000 Cu 0.752893 0.659492 4.67229e-17 68 63.546 0.000255794 -3.53839 63.546000 Cu 0.0521018 0.684601 1.2909e-16 51 63.546 6.51686e-05 -3.54042 63.546000 Cu 0.192299 0.679616 0 54 63.546 0.000153547 -3.53874 63.546000 Cu 0.211226 0.714712 1.44022e-16 55 63.546 1.72525e-05 -3.53916 63.546000 Cu 0.131648 0.69969 0.5 56 63.546 0.000120914 -3.53954 63.546000 Cu 0.0710902 0.719767 5.53931e-17 76 63.546 0.00010632 -3.54006 63.546000 Cu 0.332471 0.674496 7.36969e-17 83 63.546 9.16863e-05 -3.54001 63.546000 Cu 0.472556 0.669426 6.26183e-18 86 63.546 0.000362948 -3.54122 63.546000 Cu 0.411958 0.689533 0.5 89 63.546 0.000113404 -3.54048 63.546000 Cu 0.271836 0.694607 0.5 107 63.546 2.70221e-05 -3.53907 63.546000 Cu 0.351372 0.70964 3.56443e-17 108 63.546 7.98659e-05 -3.53949 63.546000 Cu 0.491389 0.704635 4.81679e-19 87 63.546 0.000165182 -3.54051 63.546000 Cu 0.692201 0.679584 0.5 71 63.546 0.000157229 -3.53855 63.546000 Cu 0.552026 0.684569 0.5 88 63.546 4.53985e-05 -3.54045 63.546000 Cu 0.631508 0.699654 1.01153e-17 90 63.546 0.000285642 -3.53966 63.546000 Cu 0.711223 0.714657 0.5 92 63.546 6.06843e-05 -3.53922 63.546000 Cu 0.571053 0.719737 0.5 93 63.546 0.00012679 -3.54031 63.546000 Cu 0.99153 0.704663 0.5 74 63.546 2.28732e-05 -3.54063 63.546000 Cu 0.972458 0.669465 0.5 53 63.546 0.000123654 -3.54136 63.546000 Cu 0.771829 0.694583 1.01153e-17 69 63.546 4.99642e-05 -3.53935 63.546000 Cu 0.832392 0.674475 0.5 70 63.546 0.000152883 -3.54015 63.546000 Cu 0.912 0.689534 4.81679e-19 72 63.546 0.000133164 -3.54105 63.546000 Cu 0.851478 0.709617 0.5 75 63.546 0.000129642 -3.53989 63.546000 Cu 0.0901996 0.754933 2.84191e-17 77 63.546 0.000151389 -3.54046 63.546000 Cu 0.150722 0.734816 0.5 78 63.546 5.44193e-05 -3.53976 63.546000 Cu 0.0106893 0.73985 0.5 79 63.546 0.000136126 -3.54035 63.546000 Cu 0.16976 0.769981 0.5 80 63.546 0.000144888 -3.53999 63.546000 Cu 0.0297884 0.775027 0.5 100 63.546 0.000288054 -3.54086 63.546000 Cu 0.230242 0.749828 3.85343e-18 131 63.546 6.44405e-05 -3.53928 63.546000 Cu 0.370441 0.744767 1.01153e-17 109 63.546 0.000104349 -3.53954 63.546000 Cu 0.431006 0.724721 0.5 110 63.546 5.83316e-05 -3.5402 63.546000 Cu 0.290861 0.729723 0.5 111 63.546 7.22242e-05 -3.5391 63.546000 Cu 0.450082 0.759862 0.5 115 63.546 8.64291e-05 -3.54025 63.546000 Cu 0.309839 0.764828 0.5 133 63.546 0.000315414 -3.53866 63.546000 Cu 0.650805 0.734766 1.01153e-17 91 63.546 0.000105697 -3.53986 63.546000 Cu 0.730355 0.749772 0.5 97 63.546 0.000109066 -3.53922 63.546000 Cu 0.510691 0.739815 0 112 63.546 0.000134679 -3.54084 63.546000 Cu 0.529804 0.774988 1.83038e-17 113 63.546 0.000298003 -3.54095 63.546000 Cu 0.590235 0.754892 0.5 114 63.546 0.000186167 -3.54079 63.546000 Cu 0.669779 0.769921 4.57595e-17 116 63.546 0.000119349 -3.54007 63.546000 Cu 0.931073 0.72473 1.49321e-17 73 63.546 2.47667e-05 -3.54021 63.546000 Cu 0.790969 0.729673 5.73198e-17 94 63.546 0.000247969 -3.53904 63.546000 Cu 0.809872 0.764794 4.81679e-19 95 63.546 0.000450904 -3.53891 63.546000 Cu 0.870543 0.744766 0.5 96 63.546 7.36155e-05 -3.53953 63.546000 Cu 0.950122 0.759893 4.81679e-19 98 63.546 6.86992e-05 -3.54019 63.546000 Cu 0.109392 0.790141 2.16756e-17 102 63.546 0.000648029 -3.54149 63.546000 Cu 0.128339 0.825426 0 103 63.546 0.00284789 -3.54315 63.546000 Cu 0.188814 0.805159 0.5 104 63.546 0.000573307 -3.54032 63.546000 Cu 0.0489129 0.810261 0.5 105 63.546 0.00125633 -3.5425 63.546000 Cu 0.249379 0.784947 0 132 63.546 0.000252796 -3.53852 63.546000 Cu 0.389642 0.779865 6.4545e-17 134 63.546 0.000374113 -3.53889 63.546000 Cu 0.408757 0.814936 1.01153e-17 135 63.546 0.00122319 -3.53872 63.546000 Cu 0.469458 0.795013 0.5 136 63.546 0.000371541 -3.54045 63.546000 Cu 0.329054 0.799887 0.5 137 63.546 0.00119746 -3.53749 63.546000 Cu 0.268192 0.82 0 157 63.546 0.00178805 -3.53695 63.546000 Cu 0.48854 0.830196 0.5 141 63.546 0.00103717 -3.54164 63.546000 Cu 0.68886 0.80512 5.68381e-17 117 63.546 0.000430907 -3.54005 63.546000 Cu 0.60945 0.790111 0.5 119 63.546 0.000766237 -3.54125 63.546000 Cu 0.549057 0.810234 0 138 63.546 0.00137613 -3.5422 63.546000 Cu 0.62844 0.825403 0.5 140 63.546 0.00281664 -3.54303 63.546000 Cu 0.749339 0.784901 0.5 118 63.546 0.000400574 -3.53851 63.546000 Cu 0.988466 0.830232 7.85137e-17 124 63.546 0.00116755 -3.5414 63.546000 Cu 0.969332 0.795042 1.97488e-17 99 63.546 0.0002614 -3.54047 63.546000 Cu 0.889596 0.779887 0.5 101 63.546 0.000187262 -3.53911 63.546000 Cu 0.828956 0.799871 4.14244e-17 120 63.546 0.00132678 -3.53733 63.546000 Cu 0.908646 0.81496 0.5 122 63.546 0.000963518 -3.53842 63.546000 Cu 0.768196 0.819981 0.5 123 63.546 0.00199066 -3.53711 63.546000 Cu 0.20768 0.840378 0.5 106 63.546 0.00262042 -3.54062 63.546000 Cu 0.0081929 0.865465 0 125 63.546 0.00437685 -3.54225 63.546000 Cu 0.0682386 0.84561 0.5 126 63.546 0.00590277 -3.54429 63.546000 Cu 0.147777 0.860853 7.70687e-18 128 63.546 0.01157 -3.54582 63.546000 Cu 0.0883286 0.881111 0.5 130 63.546 0.0208468 -3.54563 63.546000 Cu 0.227015 0.875699 0.5 179 63.546 0.0135376 -3.54009 63.546000 Cu 0.287129 0.854955 8.76656e-17 158 63.546 0.0101286 -3.53185 63.546000 Cu 0.347888 0.834845 0.5 159 63.546 0.00565568 -3.53439 63.546000 Cu 0.427928 0.849946 1.01153e-17 160 63.546 0.00414813 -3.53742 63.546000 Cu 0.447925 0.884826 1.01153e-17 161 63.546 0.0111456 -3.53543 63.546000 Cu 0.367176 0.869596 0.5 163 63.546 0.0261743 -3.52656 63.546000 Cu 0.56827 0.84558 4.81679e-19 139 63.546 0.00572471 -3.54421 63.546000 Cu 0.707713 0.840371 5.53931e-17 142 63.546 0.00247123 -3.54083 63.546000 Cu 0.727018 0.875721 4.81679e-19 143 63.546 0.0139537 -3.54035 63.546000 Cu 0.647783 0.860835 0.5 145 63.546 0.0113063 -3.54583 63.546000 Cu 0.50817 0.865421 0.5 162 63.546 0.00419266 -3.54216 63.546000 Cu 0.588309 0.881076 3.80527e-17 164 63.546 0.0199088 -3.54549 63.546000 Cu 0.847848 0.834856 1.16085e-16 121 63.546 0.00573203 -3.53446 63.546000 Cu 0.9279 0.849972 0.5 127 63.546 0.00403445 -3.53744 63.546000 Cu 0.787122 0.85497 0.5 144 63.546 0.0100006 -3.53249 63.546000 Cu 0.867176 0.869637 5.39481e-17 146 63.546 0.0255156 -3.52712 63.546000 Cu 0.947914 0.88487 0.5 148 63.546 0.0109544 -3.53565 63.546000 Cu 0.167878 0.896541 0 129 63.546 0.0472801 -3.54745 63.546000 Cu 0.0288275 0.900731 0 150 63.546 0.0135393 -3.54027 63.546000 Cu 0.0489378 0.936277 1.01153e-17 151 63.546 0.0618561 -3.52115 63.546000 Cu 0.108763 0.916929 0.5 152 63.546 0.0657718 -3.53811 63.546000 Cu 0.187763 0.932623 1.15603e-17 154 63.546 0.233235 -3.52587 63.546000 Cu 0.246567 0.91132 0.5 183 63.546 0.105647 -3.52536 63.546000 Cu 0.306489 0.889614 4.52778e-17 180 63.546 0.0637601 -3.5159 63.546000 Cu 0.326015 0.923457 2.31206e-17 181 63.546 0.510227 -3.46501 63.546000 Cu 0.387439 0.903961 0.5 182 63.546 0.107962 -3.50868 63.546000 Cu 0.468594 0.919609 5.44297e-17 184 63.546 0.025406 -3.53069 63.546000 Cu 0.407499 0.937936 0.5 187 63.546 0.462428 -3.48182 63.546000 Cu 0.608716 0.916898 0 165 63.546 0.063772 -3.53806 63.546000 Cu 0.667863 0.896531 0.5 166 63.546 0.0462222 -3.54747 63.546000 Cu 0.528799 0.900683 0.5 167 63.546 0.0134147 -3.54022 63.546000 Cu 0.687717 0.932619 0.5 171 63.546 0.235017 -3.52585 63.546000 Cu 0.548912 0.936245 0.5 186 63.546 0.0615905 -3.52072 63.546000 Cu 0.746567 0.911361 1.01153e-17 168 63.546 0.108609 -3.5255 63.546000 Cu 0.887467 0.904027 0 147 63.546 0.105234 -3.50889 63.546000 Cu 0.806492 0.889661 0.5 149 63.546 0.0620597 -3.51637 63.546000 Cu 0.968616 0.919663 0.5 153 63.546 0.0250161 -3.53079 63.546000 Cu 0.826007 0.923516 0.5 170 63.546 0.506035 -3.46499 63.546000 Cu 0.907501 0.938 2.4084e-17 172 63.546 0.457705 -3.48187 63.546000 Cu 0.210419 0.972171 1.01153e-17 155 63.546 4.67334 -3.51887 63.546000 Cu 0.127924 0.953747 0.5 156 63.546 0.367632 -3.49408 63.546000 Cu 0.0616386 0.972298 1.01153e-17 176 63.546 0.373373 -3.52618 63.546000 Cu 0.127075 0.990816 0.5 177 63.546 0.365662 -3.49339 63.546000 Cu 0.262416 0.996435 0.5 215 63.546 5.59068 -3.47567 63.546000 Cu 0.263458 0.948184 0.5 195 63.546 5.58987 -3.47716 63.546000 Cu 0.347 0.956123 1.21383e-16 196 63.546 7.72811 -3.29596 63.546000 Cu 0.345633 0.98819 1.01153e-17 197 63.546 7.7065 -3.30434 63.546000 Cu 0.419367 0.972243 0.5 198 63.546 3.39019 -3.50303 63.546000 Cu 0.487215 0.954626 1.01153e-17 185 63.546 0.18544 -3.53255 63.546000 Cu 0.48635 0.989902 1.22347e-16 200 63.546 0.170012 -3.53168 63.546000 Cu 0.627923 0.953735 1.01153e-17 188 63.546 0.367245 -3.49335 63.546000 Cu 0.627172 0.990823 3.51626e-17 189 63.546 0.37008 -3.49399 63.546000 Cu 0.71038 0.972281 0.5 190 63.546 4.66114 -3.5188 63.546000 Cu 0.561684 0.972279 0.5 191 63.546 0.374516 -3.52604 63.546000 Cu 0.762516 0.996548 1.19938e-16 202 63.546 5.60724 -3.47608 63.546000 Cu 0.987183 0.954669 0.5 174 63.546 0.184617 -3.53299 63.546000 Cu 0.986301 0.98994 0.5 178 63.546 0.169504 -3.5315 63.546000 Cu 0.763396 0.948237 1.01153e-17 169 63.546 5.57918 -3.47657 63.546000 Cu 0.919312 0.972289 1.01153e-17 173 63.546 3.39239 -3.50249 63.546000 Cu 0.846918 0.956186 0.5 175 63.546 7.73715 -3.29487 63.546000 Cu 0.845619 0.988236 0.5 193 63.546 7.6972 -3.30374