Number of particles = 396 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.0345 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 72.3072 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60771 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 0.0283386 0.0436225 2.40419e-19 209 63.546 0.0139182 -3.53809 63.546000 Cu 0.0496017 0.00808605 1.2021e-19 212 63.546 0.0575429 -3.52525 63.546000 Cu 0.188566 0.011484 3.67841e-16 213 63.546 0.262664 -3.5174 63.546000 Cu 0.108864 0.0273455 0.5 214 63.546 0.0799642 -3.53488 63.546000 Cu 0.167698 0.0478074 1.22734e-16 226 63.546 0.0549209 -3.54191 63.546000 Cu 0.24627 0.033239 0.5 228 63.546 0.0648855 -3.52675 63.546000 Cu 0.306249 0.0548005 1.719e-17 227 63.546 0.0654889 -3.52446 63.546000 Cu 0.325498 0.0207826 9.14795e-17 230 63.546 0.428011 -3.48165 63.546000 Cu 0.468474 0.0245411 1.10833e-16 231 63.546 0.0234917 -3.53051 63.546000 Cu 0.407648 0.00633322 0.5 232 63.546 0.401862 -3.49692 63.546000 Cu 0.386925 0.040299 0.5 233 63.546 0.101472 -3.52612 63.546000 Cu 0.447689 0.0594148 7.27268e-17 252 63.546 0.0103744 -3.53658 63.546000 Cu 0.549696 0.00786993 0.5 234 63.546 0.0612811 -3.52515 63.546000 Cu 0.528531 0.0434311 0.5 254 63.546 0.016603 -3.53797 63.546000 Cu 0.608967 0.0271421 2.09645e-16 256 63.546 0.0880349 -3.53463 63.546000 Cu 0.746142 0.0331735 1 257 63.546 0.0683907 -3.52543 63.546000 Cu 0.688652 0.0113123 0.5 258 63.546 0.272131 -3.5172 63.546000 Cu 0.667686 0.0476924 0.5 259 63.546 0.0579636 -3.5412 63.546000 Cu 0.907561 0.00645738 2.45228e-16 203 63.546 0.419536 -3.49729 63.546000 Cu 0.825365 0.0208112 0.5 204 63.546 0.441298 -3.47994 63.546000 Cu 0.806013 0.0548471 0.5 206 63.546 0.0693074 -3.52394 63.546000 Cu 0.88667 0.0404205 3.60629e-19 208 63.546 0.10764 -3.52635 63.546000 Cu 0.968314 0.0247176 0.5 210 63.546 0.0245785 -3.53106 63.546000 Cu 0.947447 0.0595647 0.5 211 63.546 0.0112435 -3.5367 63.546000 Cu 0.147416 0.0835201 1.32231e-17 223 63.546 0.0143868 -3.5422 63.546000 Cu 0.0879153 0.0632497 0.5 224 63.546 0.0242867 -3.54192 63.546000 Cu 0.0675889 0.0987899 0.5 225 63.546 0.00700435 -3.54171 63.546000 Cu 0.226752 0.0687532 0.5 229 63.546 0.0104061 -3.5385 63.546000 Cu 0.127471 0.118962 0 244 63.546 0.0038511 -3.54135 63.546000 Cu 0.207123 0.104046 0.5 246 63.546 0.00200468 -3.53982 63.546000 Cu 0.00766108 0.0789749 1.81396e-16 222 63.546 0.00379608 -3.54017 63.546000 Cu 0.286812 0.0894767 9.34028e-17 248 63.546 0.0113594 -3.535 63.546000 Cu 0.427515 0.0943843 3.89479e-17 249 63.546 0.0036215 -3.53821 63.546000 Cu 0.366994 0.0747707 0.5 250 63.546 0.0265386 -3.53366 63.546000 Cu 0.347176 0.109566 0.5 251 63.546 0.00655556 -3.5371 63.546000 Cu 0.487636 0.114134 0.5 278 63.546 0.00119171 -3.54028 63.546000 Cu 0.267163 0.124433 2.8129e-17 245 63.546 0.00219214 -3.538 63.546000 Cu 0.507839 0.0788362 0.5 255 63.546 0.00497502 -3.54011 63.546000 Cu 0.588003 0.0631083 1.32231e-17 253 63.546 0.027217 -3.54172 63.546000 Cu 0.56763 0.0987131 1.32231e-17 280 63.546 0.00746676 -3.54162 63.546000 Cu 0.707013 0.104052 0 281 63.546 0.00229817 -3.53958 63.546000 Cu 0.647365 0.0834655 0.5 282 63.546 0.0147901 -3.5419 63.546000 Cu 0.627435 0.118946 0.5 283 63.546 0.00391311 -3.54121 63.546000 Cu 0.726607 0.0687308 2.40419e-17 284 63.546 0.011452 -3.53788 63.546000 Cu 0.866747 0.0748745 1.19248e-16 205 63.546 0.0289742 -3.53356 63.546000 Cu 0.786622 0.0895293 0.5 207 63.546 0.0123737 -3.53474 63.546000 Cu 0.847006 0.109659 1.29826e-17 218 63.546 0.00784504 -3.53709 63.546000 Cu 0.987525 0.11422 1.33553e-16 219 63.546 0.000909428 -3.54021 63.546000 Cu 0.9273 0.0945059 0.5 220 63.546 0.00425937 -3.53823 63.546000 Cu 0.767062 0.124493 0.5 217 63.546 0.00253849 -3.53791 63.546000 Cu 0.107682 0.15427 5.25316e-17 241 63.546 0.00110449 -3.54064 63.546000 Cu 0.0476559 0.134141 0.5 242 63.546 0.00216838 -3.54099 63.546000 Cu 0.0277555 0.169407 0.5 243 63.546 0.000679241 -3.54065 63.546000 Cu 0.187415 0.139277 0.5 247 63.546 0.000475156 -3.53983 63.546000 Cu 0.167584 0.174469 0.5 270 63.546 0.000199767 -3.53984 63.546000 Cu 0.247516 0.159502 3.25768e-17 272 63.546 0.000368815 -3.53899 63.546000 Cu 0.387655 0.164554 3.01726e-17 273 63.546 0.000367166 -3.53949 63.546000 Cu 0.327454 0.144552 0.5 274 63.546 0.00158288 -3.53858 63.546000 Cu 0.307613 0.179621 0.5 275 63.546 0.000370822 -3.5391 63.546000 Cu 0.407546 0.129441 0 276 63.546 0.00108457 -3.53927 63.546000 Cu 0.467724 0.149372 0.5 279 63.546 0.000302854 -3.54042 63.546000 Cu 0.44769 0.184576 0.5 302 63.546 0.000161694 -3.54021 63.546000 Cu 0.547664 0.134113 0 277 63.546 0.00195148 -3.54107 63.546000 Cu 0.527763 0.169417 7.21257e-19 304 63.546 0.000485159 -3.54079 63.546000 Cu 0.667591 0.174514 1.32231e-17 305 63.546 0.000268251 -3.53996 63.546000 Cu 0.607685 0.15428 0.5 306 63.546 0.00115232 -3.54076 63.546000 Cu 0.687374 0.139296 4.71222e-17 308 63.546 0.000598059 -3.53973 63.546000 Cu 0.747468 0.159566 0.5 309 63.546 0.000556914 -3.53901 63.546000 Cu 0.827365 0.144642 2.40419e-19 216 63.546 0.00243849 -3.5386 63.546000 Cu 0.90743 0.129538 0.5 221 63.546 0.00154305 -3.53923 63.546000 Cu 0.807585 0.179705 1.32231e-17 236 63.546 0.00079546 -3.53894 63.546000 Cu 0.947697 0.184598 1.74063e-16 237 63.546 0.000200142 -3.54009 63.546000 Cu 0.887621 0.164625 0.5 238 63.546 0.000619987 -3.53939 63.546000 Cu 0.967704 0.149417 7.70543e-17 240 63.546 0.000308892 -3.54022 63.546000 Cu 0.0671116 0.224721 1.2021e-19 265 63.546 6.49215e-05 -3.5401 63.546000 Cu 0.087617 0.189511 2.02313e-16 268 63.546 0.000363097 -3.54022 63.546000 Cu 0.227526 0.194614 5.22912e-17 269 63.546 0.000108875 -3.53926 63.546000 Cu 0.147372 0.209621 0.5 271 63.546 0.000233546 -3.53965 63.546000 Cu 0.126758 0.24477 0.5 294 63.546 0.000287952 -3.53954 63.546000 Cu 0.207072 0.229728 1.32231e-17 296 63.546 8.85626e-05 -3.53929 63.546000 Cu 0.00752291 0.204643 0.5 266 63.546 0.000167091 -3.54035 63.546000 Cu 0.346986 0.234846 1.2021e-19 297 63.546 0.000118001 -3.53983 63.546000 Cu 0.287349 0.214719 0.5 298 63.546 0.000103737 -3.5393 63.546000 Cu 0.367537 0.199688 1.32231e-17 300 63.546 0.000215289 -3.53954 63.546000 Cu 0.427263 0.21977 0.5 303 63.546 0.000128256 -3.53999 63.546000 Cu 0.486761 0.239888 5.42145e-17 328 63.546 7.92734e-05 -3.54015 63.546000 Cu 0.266703 0.249852 0.5 299 63.546 0.000108287 -3.53938 63.546000 Cu 0.507495 0.20466 1.32231e-17 301 63.546 0.000136483 -3.54024 63.546000 Cu 0.587624 0.189543 0.5 307 63.546 0.000367096 -3.5403 63.546000 Cu 0.626659 0.244833 1.32231e-17 329 63.546 0.000150893 -3.53963 63.546000 Cu 0.567059 0.224758 0.5 330 63.546 6.42071e-05 -3.54 63.546000 Cu 0.647315 0.209681 1.88128e-16 332 63.546 0.000166958 -3.53972 63.546000 Cu 0.727512 0.194682 0.5 333 63.546 0.00022989 -3.53928 63.546000 Cu 0.707001 0.229785 0.5 334 63.546 3.53796e-05 -3.53928 63.546000 Cu 0.787317 0.214777 0 235 63.546 0.000124157 -3.53908 63.546000 Cu 0.867556 0.199733 0.5 239 63.546 0.000324237 -3.5393 63.546000 Cu 0.846995 0.234857 0.5 262 63.546 0.000103403 -3.53958 63.546000 Cu 0.927276 0.219779 1.16363e-16 264 63.546 0.000117259 -3.53994 63.546000 Cu 0.98682 0.239862 0.5 267 63.546 8.12295e-05 -3.54016 63.546000 Cu 0.766689 0.249878 4.29148e-17 260 63.546 6.5609e-05 -3.53937 63.546000 Cu 0.0260098 0.295107 1 289 63.546 0.000245038 -3.54004 63.546000 Cu 0.0464537 0.259916 1 292 63.546 0.000105989 -3.53995 63.546000 Cu 0.186474 0.264835 1.2021e-19 293 63.546 0.000675949 -3.53899 63.546000 Cu 0.10628 0.279908 0.5 295 63.546 0.000557734 -3.53922 63.546000 Cu 0.166176 0.299913 1.2021e-19 320 63.546 0.00234935 -3.53838 63.546000 Cu 0.24628 0.284996 0.5 322 63.546 0.000466075 -3.53894 63.546000 Cu 0.306081 0.305278 2.03154e-17 321 63.546 0.000822216 -3.53958 63.546000 Cu 0.326332 0.270048 1.52306e-16 324 63.546 0.000277617 -3.54005 63.546000 Cu 0.466044 0.275131 0 325 63.546 0.000564336 -3.54041 63.546000 Cu 0.406505 0.254999 0.5 326 63.546 0.000249347 -3.54023 63.546000 Cu 0.385962 0.290279 0.5 327 63.546 0.00121299 -3.54054 63.546000 Cu 0.445676 0.310431 1.32231e-17 352 63.546 0.0021554 -3.54082 63.546000 Cu 0.546303 0.259967 0.5 331 63.546 0.000167045 -3.53998 63.546000 Cu 0.525793 0.295165 0.5 354 63.546 0.000467404 -3.54009 63.546000 Cu 0.606058 0.279965 1.32231e-17 356 63.546 0.000431315 -3.53928 63.546000 Cu 0.746205 0.284988 1.32231e-17 357 63.546 0.000530818 -3.53916 63.546000 Cu 0.686365 0.264885 0.5 358 63.546 0.000393068 -3.5391 63.546000 Cu 0.666038 0.299941 0.5 359 63.546 0.00197213 -3.53838 63.546000 Cu 0.906597 0.25498 4.88051e-17 261 63.546 0.000225786 -3.5402 63.546000 Cu 0.826408 0.270027 0.5 263 63.546 0.000170118 -3.54018 63.546000 Cu 0.806057 0.305223 0.5 286 63.546 0.000625049 -3.53987 63.546000 Cu 0.886089 0.290226 0 288 63.546 0.000962511 -3.54085 63.546000 Cu 0.966263 0.275089 0.5 290 63.546 0.000435726 -3.54049 63.546000 Cu 0.945755 0.310366 0.5 291 63.546 0.00204334 -3.54086 63.546000 Cu 0.146171 0.33489 1.2021e-19 317 63.546 0.00809201 -3.53711 63.546000 Cu 0.085877 0.315008 0.5 318 63.546 0.00165504 -3.53898 63.546000 Cu 0.066023 0.350057 0.5 319 63.546 0.0043788 -3.53877 63.546000 Cu 0.226203 0.320068 0.5 323 63.546 0.00246372 -3.53779 63.546000 Cu 0.126932 0.369692 1.32231e-17 344 63.546 0.0294856 -3.53351 63.546000 Cu 0.206844 0.35502 0.5 346 63.546 0.0128714 -3.53438 63.546000 Cu 0.00565672 0.330318 0 316 63.546 0.00134046 -3.54037 63.546000 Cu 0.286279 0.340504 4.0751e-17 348 63.546 0.00259164 -3.53935 63.546000 Cu 0.425713 0.345835 2.17579e-17 349 63.546 0.00815787 -3.54191 63.546000 Cu 0.365808 0.325609 0.5 350 63.546 0.00428202 -3.54102 63.546000 Cu 0.346242 0.361092 0.5 351 63.546 0.0152318 -3.5419 63.546000 Cu 0.485912 0.365705 0.5 376 63.546 0.00529237 -3.54067 63.546000 Cu 0.505638 0.330393 0.5 355 63.546 0.00150804 -3.54053 63.546000 Cu 0.585819 0.315063 0 353 63.546 0.00131639 -3.53902 63.546000 Cu 0.566042 0.350118 9.92931e-17 378 63.546 0.00397243 -3.53865 63.546000 Cu 0.706864 0.355011 1.32231e-17 379 63.546 0.0130233 -3.53445 63.546000 Cu 0.646196 0.33492 0.5 380 63.546 0.00744166 -3.53694 63.546000 Cu 0.626906 0.369718 0.5 381 63.546 0.0293555 -3.53347 63.546000 Cu 0.726178 0.320054 2.09525e-16 382 63.546 0.00255323 -3.53775 63.546000 Cu 0.865812 0.325539 1.2021e-19 285 63.546 0.00384973 -3.54101 63.546000 Cu 0.786276 0.340453 0.5 287 63.546 0.00230779 -3.53933 63.546000 Cu 0.84622 0.361018 1.5483e-16 312 63.546 0.0142006 -3.54187 63.546000 Cu 0.98589 0.365622 0 313 63.546 0.00489521 -3.54072 63.546000 Cu 0.925689 0.345751 0.5 314 63.546 0.00748569 -3.54182 63.546000 Cu 0.108278 0.404138 1.2021e-19 341 63.546 0.111305 -3.52568 63.546000 Cu 0.0466336 0.385039 0.5 342 63.546 0.011083 -3.53733 63.546000 Cu 0.0273717 0.419906 0.5 343 63.546 0.0243182 -3.53271 63.546000 Cu 0.188338 0.389689 0.5 347 63.546 0.0738224 -3.52131 63.546000 Cu 0.170556 0.423659 0.5 368 63.546 0.495638 -3.47327 63.546000 Cu 0.249303 0.411391 2.40419e-19 370 63.546 0.0764791 -3.52235 63.546000 Cu 0.267291 0.37582 2.33207e-17 345 63.546 0.0113501 -3.53739 63.546000 Cu 0.386702 0.417434 7.33278e-18 371 63.546 0.090526 -3.53535 63.546000 Cu 0.326983 0.396859 0.5 372 63.546 0.0582442 -3.54078 63.546000 Cu 0.307736 0.433264 0.5 373 63.546 0.272155 -3.51659 63.546000 Cu 0.406172 0.381452 1.32231e-17 374 63.546 0.0282342 -3.54226 63.546000 Cu 0.46639 0.401122 0.5 377 63.546 0.0177637 -3.5392 63.546000 Cu 0.446954 0.436728 0.5 389 63.546 0.0715881 -3.52826 63.546000 Cu 0.546635 0.385115 1.32231e-17 375 63.546 0.010458 -3.53715 63.546000 Cu 0.527327 0.419999 1.32231e-17 391 63.546 0.023935 -3.53219 63.546000 Cu 0.670523 0.423655 2.064e-16 392 63.546 0.499267 -3.47487 63.546000 Cu 0.608215 0.404181 0.5 393 63.546 0.110734 -3.5255 63.546000 Cu 0.688292 0.389686 1.32231e-17 395 63.546 0.0738347 -3.52167 63.546000 Cu 0.749228 0.411354 0.5 396 63.546 0.0761449 -3.52272 63.546000 Cu 0.82699 0.396785 7.08034e-17 310 63.546 0.056831 -3.54102 63.546000 Cu 0.767264 0.375778 0.5 311 63.546 0.0110834 -3.53772 63.546000 Cu 0.906111 0.381355 0.5 315 63.546 0.0265284 -3.54212 63.546000 Cu 0.807718 0.433187 1.32231e-17 336 63.546 0.271999 -3.51704 63.546000 Cu 0.947008 0.436589 9.08784e-17 337 63.546 0.0671039 -3.52858 63.546000 Cu 0.886683 0.417307 0.5 338 63.546 0.0847217 -3.53555 63.546000 Cu 0.966407 0.401011 2.62417e-16 340 63.546 0.0160686 -3.53922 63.546000 Cu 0.0797387 0.472361 1.2021e-19 363 63.546 3.38697 -3.4746 63.546000 Cu 0.089122 0.438109 1.32231e-17 366 63.546 0.452757 -3.49861 63.546000 Cu 0.232638 0.447955 1.32231e-17 367 63.546 5.60898 -3.42405 63.546000 Cu 0.150796 0.456201 0.5 369 63.546 7.39794 -3.2612 63.546000 Cu 0.15405 0.488234 0.5 383 63.546 7.38001 -3.2777 63.546000 Cu 0.23592 0.497098 1 384 63.546 5.6689 -3.43146 63.546000 Cu 0.00980543 0.454858 0.5 364 63.546 0.198115 -3.53296 63.546000 Cu 0.012383 0.489845 0.5 365 63.546 0.163354 -3.52831 63.546000 Cu 0.370945 0.49075 0 385 63.546 0.406723 -3.49956 63.546000 Cu 0.287513 0.472403 0.5 386 63.546 4.7157 -3.5241 63.546000 Cu 0.36814 0.454241 1.31028e-17 387 63.546 0.441865 -3.50442 63.546000 Cu 0.436014 0.472513 0.5 390 63.546 0.346271 -3.52867 63.546000 Cu 0.512558 0.489957 0 201 63.546 0.159708 -3.52875 63.546000 Cu 0.509782 0.454974 0 388 63.546 0.202068 -3.5329 63.546000 Cu 0.735988 0.497016 0.5 3 63.546 5.65927 -3.43047 63.546000 Cu 0.732606 0.447917 0.5 31 63.546 5.59603 -3.42585 63.546000 Cu 0.650749 0.456252 1.22373e-16 192 63.546 7.4146 -3.26054 63.546000 Cu 0.579861 0.472418 0.5 194 63.546 3.37773 -3.47397 63.546000 Cu 0.654088 0.488211 0 199 63.546 7.39613 -3.27606 63.546000 Cu 0.589036 0.438165 0.5 394 63.546 0.453592 -3.49868 63.546000 Cu 0.787567 0.47232 1.32231e-17 335 63.546 4.68429 -3.52542 63.546000 Cu 0.868135 0.454096 0.5 339 63.546 0.429693 -3.50433 63.546000 Cu 0.870814 0.49059 0.5 361 63.546 0.417439 -3.49977 63.546000 Cu 0.935938 0.472342 1 362 63.546 0.345452 -3.52871 63.546000 Cu 0.0934108 0.506478 1.2021e-19 1 63.546 0.392673 -3.49648 63.546000 Cu 0.17589 0.520847 0.5 2 63.546 0.399391 -3.48443 63.546000 Cu 0.0330156 0.524719 0.5 6 63.546 0.0242765 -3.52978 63.546000 Cu 0.114796 0.540439 1.48098e-16 8 63.546 0.103097 -3.52632 63.546000 Cu 0.195502 0.5549 0.5 10 63.546 0.062467 -3.52506 63.546000 Cu 0.0541392 0.559548 0.5 11 63.546 0.0105485 -3.5363 63.546000 Cu 0.451582 0.508196 0.5 15 63.546 0.0519991 -3.52362 63.546000 Cu 0.255259 0.533352 8.89551e-17 32 63.546 0.0616188 -3.5275 63.546000 Cu 0.312687 0.511601 0.5 33 63.546 0.262651 -3.51746 63.546000 Cu 0.392628 0.527446 1.32231e-17 34 63.546 0.0808503 -3.53473 63.546000 Cu 0.473198 0.543718 0.5 36 63.546 0.0143728 -3.53795 63.546000 Cu 0.333948 0.547913 0.5 37 63.546 0.054606 -3.54188 63.546000 Cu 0.533156 0.52483 6.35909e-17 13 63.546 0.0246971 -3.53011 63.546000 Cu 0.593538 0.506547 0.5 14 63.546 0.398221 -3.49768 63.546000 Cu 0.675889 0.520877 1.80314e-17 16 63.546 0.409227 -3.48396 63.546000 Cu 0.695516 0.55488 1.32231e-17 17 63.546 0.060267 -3.52466 63.546000 Cu 0.614773 0.540497 0.5 19 63.546 0.104563 -3.52605 63.546000 Cu 0.554125 0.559656 2.44987e-16 38 63.546 0.0117548 -3.53659 63.546000 Cu 0.951375 0.508057 1.32231e-17 4 63.546 0.0566766 -3.52344 63.546000 Cu 0.973211 0.543593 0 5 63.546 0.0152456 -3.53771 63.546000 Cu 0.892514 0.527305 0.5 7 63.546 0.0870707 -3.53481 63.546000 Cu 0.755193 0.533308 0.5 18 63.546 0.0629408 -3.52662 63.546000 Cu 0.833913 0.547807 1.32231e-17 20 63.546 0.0571297 -3.54203 63.546000 Cu 0.812544 0.511497 1.32231e-17 360 63.546 0.268319 -3.51714 63.546000 Cu 0.134832 0.574904 1.32231e-17 9 63.546 0.0279049 -3.5335 63.546000 Cu 0.214945 0.589593 0.5 12 63.546 0.0110796 -3.53491 63.546000 Cu 0.0139136 0.614217 1.32231e-17 25 63.546 0.00124544 -3.54038 63.546000 Cu 0.0742579 0.594498 0.5 26 63.546 0.00371867 -3.53814 63.546000 Cu 0.154433 0.609686 1.32231e-17 28 63.546 0.0071667 -3.53704 63.546000 Cu 0.23447 0.624528 0.5 81 63.546 0.00219244 -3.53814 63.546000 Cu 0.413676 0.563357 1.32231e-17 35 63.546 0.0245556 -3.54199 63.546000 Cu 0.274916 0.568882 1.32231e-17 57 63.546 0.00985406 -3.53842 63.546000 Cu 0.29457 0.604169 1.32231e-17 58 63.546 0.00205542 -3.53975 63.546000 Cu 0.354264 0.583646 0.5 59 63.546 0.0134328 -3.54215 63.546000 Cu 0.434057 0.598891 1.32231e-17 60 63.546 0.00693887 -3.54206 63.546000 Cu 0.37424 0.619081 0.5 63 63.546 0.00326737 -3.54131 63.546000 Cu 0.493989 0.579062 0.5 41 63.546 0.00413294 -3.5403 63.546000 Cu 0.574433 0.594564 1 39 63.546 0.00433116 -3.53821 63.546000 Cu 0.634921 0.574944 0.5 40 63.546 0.0290586 -3.53369 63.546000 Cu 0.715142 0.589558 1.22614e-16 42 63.546 0.011053 -3.53486 63.546000 Cu 0.734444 0.624492 0 43 63.546 0.0018824 -3.53762 63.546000 Cu 0.654667 0.609688 0.5 45 63.546 0.00743994 -3.5369 63.546000 Cu 0.514155 0.614294 0.5 62 63.546 0.00114564 -3.54055 63.546000 Cu 0.99396 0.578946 0 24 63.546 0.00485662 -3.54019 63.546000 Cu 0.854399 0.583532 2.4643e-17 21 63.546 0.0151576 -3.542 63.546000 Cu 0.913731 0.563216 0.5 22 63.546 0.0274212 -3.542 63.546000 Cu 0.775042 0.568808 0.5 23 63.546 0.0104638 -3.53846 63.546000 Cu 0.934064 0.598794 0.5 27 63.546 0.00743786 -3.54171 63.546000 Cu 0.794713 0.604085 0.5 44 63.546 0.00278278 -3.53937 63.546000 Cu 0.874095 0.618997 2.296e-17 46 63.546 0.00373159 -3.54093 63.546000 Cu 0.173977 0.644631 0 29 63.546 0.00177357 -3.53874 63.546000 Cu 0.0939285 0.62953 0.5 30 63.546 0.00124702 -3.53934 63.546000 Cu 0.0335422 0.649412 2.10367e-17 50 63.546 0.000278874 -3.54053 63.546000 Cu 0.0528676 0.68459 0 51 63.546 8.51903e-05 -3.54014 63.546000 Cu 0.113446 0.66461 0.5 52 63.546 0.000529021 -3.53956 63.546000 Cu 0.19314 0.679687 1.32231e-17 54 63.546 0.000345925 -3.53906 63.546000 Cu 0.453929 0.634252 9.59272e-17 61 63.546 0.00163339 -3.54102 63.546000 Cu 0.314176 0.639364 4.77232e-17 82 63.546 0.00082957 -3.53995 63.546000 Cu 0.333289 0.674581 5.74602e-17 83 63.546 0.00019225 -3.53998 63.546000 Cu 0.393694 0.654399 0.5 84 63.546 0.000671429 -3.54062 63.546000 Cu 0.253745 0.659592 0.5 85 63.546 0.000515934 -3.53914 63.546000 Cu 0.473228 0.669535 1.32231e-17 86 63.546 0.000349765 -3.54032 63.546000 Cu 0.594095 0.629581 0 64 63.546 0.00151504 -3.53914 63.546000 Cu 0.613309 0.664692 1.32231e-17 65 63.546 0.000703219 -3.53947 63.546000 Cu 0.673899 0.644659 0.5 66 63.546 0.00204051 -3.53843 63.546000 Cu 0.533648 0.649497 0.5 67 63.546 0.000294719 -3.5402 63.546000 Cu 0.692941 0.679724 0.5 71 63.546 0.000516162 -3.53897 63.546000 Cu 0.552717 0.684702 0.5 88 63.546 8.37225e-05 -3.54014 63.546000 Cu 0.893438 0.65429 0 47 63.546 0.0011518 -3.5408 63.546000 Cu 0.953654 0.634166 0.5 48 63.546 0.0019101 -3.54105 63.546000 Cu 0.813877 0.639297 0.5 49 63.546 0.000710045 -3.53959 63.546000 Cu 0.973203 0.669408 0.5 53 63.546 0.000606269 -3.5407 63.546000 Cu 0.753479 0.659571 1.32231e-17 68 63.546 0.000316047 -3.53884 63.546000 Cu 0.833098 0.674484 0.5 70 63.546 0.000296729 -3.54005 63.546000 Cu 0.211999 0.714808 2.65663e-17 55 63.546 2.02714e-05 -3.53929 63.546000 Cu 0.13245 0.699736 0.5 56 63.546 0.000163636 -3.53953 63.546000 Cu 0.0718991 0.719788 3.32981e-17 76 63.546 8.08312e-05 -3.54018 63.546000 Cu 0.151403 0.734895 0.5 78 63.546 0.000107822 -3.53984 63.546000 Cu 0.0113209 0.739853 0.5 79 63.546 0.000121182 -3.54062 63.546000 Cu 0.230977 0.749948 2.33687e-16 131 63.546 0.000121125 -3.53938 63.546000 Cu 0.412705 0.689646 0.5 89 63.546 0.000149327 -3.54021 63.546000 Cu 0.27264 0.694722 0.5 107 63.546 6.66769e-05 -3.53943 63.546000 Cu 0.352095 0.709785 1.32231e-17 108 63.546 8.5833e-05 -3.53976 63.546000 Cu 0.371163 0.744932 1.32231e-17 109 63.546 0.000110817 -3.53958 63.546000 Cu 0.431654 0.724852 0.5 110 63.546 8.69401e-05 -3.54023 63.546000 Cu 0.29155 0.729864 0.5 111 63.546 3.42778e-05 -3.5394 63.546000 Cu 0.492166 0.704765 6.5394e-17 87 63.546 5.87909e-05 -3.54042 63.546000 Cu 0.632307 0.69982 1.18406e-16 90 63.546 0.000467022 -3.53974 63.546000 Cu 0.651363 0.734942 1.32231e-17 91 63.546 0.000286831 -3.53968 63.546000 Cu 0.711943 0.7148 0.5 92 63.546 5.55661e-05 -3.53931 63.546000 Cu 0.571759 0.719894 0.5 93 63.546 0.000176602 -3.54038 63.546000 Cu 0.730971 0.749881 0.5 97 63.546 0.000142303 -3.53912 63.546000 Cu 0.51126 0.739982 1.32231e-17 112 63.546 9.27083e-05 -3.54069 63.546000 Cu 0.992343 0.704622 0.5 74 63.546 0.000107482 -3.54042 63.546000 Cu 0.772536 0.694654 1.32231e-17 69 63.546 2.63816e-05 -3.53936 63.546000 Cu 0.912747 0.689493 2.03154e-17 72 63.546 0.000549698 -3.54046 63.546000 Cu 0.93179 0.724685 2.40419e-19 73 63.546 0.00025678 -3.54025 63.546000 Cu 0.8522 0.709623 0.5 75 63.546 0.000268983 -3.53988 63.546000 Cu 0.791599 0.729738 1 94 63.546 0.000185581 -3.53937 63.546000 Cu 0.871188 0.744747 0.5 96 63.546 0.000540568 -3.53954 63.546000 Cu 0.0909552 0.755006 1.32231e-17 77 63.546 0.000358919 -3.54043 63.546000 Cu 0.170626 0.770066 0.5 80 63.546 0.000187473 -3.53975 63.546000 Cu 0.0307063 0.775084 0.5 100 63.546 0.000495541 -3.54066 63.546000 Cu 0.110384 0.790253 1.32231e-17 102 63.546 0.00118334 -3.54059 63.546000 Cu 0.190007 0.805269 0.5 104 63.546 0.000668961 -3.53989 63.546000 Cu 0.0503315 0.81037 0.5 105 63.546 0.00212427 -3.54087 63.546000 Cu 0.450891 0.760047 0.5 115 63.546 0.000138191 -3.54019 63.546000 Cu 0.250216 0.785044 6.09463e-17 132 63.546 0.000639194 -3.5389 63.546000 Cu 0.310706 0.764968 0.5 133 63.546 0.000242263 -3.53893 63.546000 Cu 0.390495 0.780037 3.14949e-17 134 63.546 0.000398883 -3.53951 63.546000 Cu 0.470424 0.79523 0.5 136 63.546 0.000421051 -3.54047 63.546000 Cu 0.330055 0.800013 0.5 137 63.546 0.00167672 -3.53861 63.546000 Cu 0.530638 0.775216 1.32231e-17 113 63.546 0.000872592 -3.54073 63.546000 Cu 0.590888 0.755089 0.5 114 63.546 0.00061276 -3.54034 63.546000 Cu 0.670591 0.770055 9.97739e-18 116 63.546 0.000232921 -3.53959 63.546000 Cu 0.690092 0.805193 1.32231e-17 117 63.546 0.000426455 -3.53975 63.546000 Cu 0.610375 0.790292 0.5 119 63.546 0.00141867 -3.5406 63.546000 Cu 0.550374 0.810456 1.32231e-17 138 63.546 0.00273824 -3.54102 63.546000 Cu 0.810756 0.764812 1.32231e-17 95 63.546 0.000671792 -3.53891 63.546000 Cu 0.950906 0.759877 2.40419e-19 98 63.546 0.00018723 -3.54011 63.546000 Cu 0.970475 0.79507 1.32231e-17 99 63.546 0.000288365 -3.5404 63.546000 Cu 0.890564 0.779851 0.5 101 63.546 0.000869662 -3.53953 63.546000 Cu 0.750302 0.784926 0.5 118 63.546 0.000805651 -3.53887 63.546000 Cu 0.830138 0.799843 3.59427e-17 120 63.546 0.00238745 -3.53864 63.546000 Cu 0.130083 0.825572 0 103 63.546 0.00412315 -3.54119 63.546000 Cu 0.20971 0.840492 0.5 106 63.546 0.00232244 -3.53981 63.546000 Cu 0.0103823 0.865561 1.32231e-17 125 63.546 0.00414894 -3.54031 63.546000 Cu 0.0702874 0.845739 0.5 126 63.546 0.00735314 -3.5416 63.546000 Cu 0.149991 0.861018 3.01726e-17 128 63.546 0.0147804 -3.54208 63.546000 Cu 0.410133 0.815113 2.40419e-19 135 63.546 0.00104875 -3.5392 63.546000 Cu 0.26976 0.820105 1.37159e-16 157 63.546 0.00242008 -3.53802 63.546000 Cu 0.28934 0.855038 4.12319e-17 158 63.546 0.0119427 -3.53461 63.546000 Cu 0.349791 0.834962 0.5 159 63.546 0.00672962 -3.53684 63.546000 Cu 0.430097 0.850112 2.40419e-19 160 63.546 0.00329628 -3.53818 63.546000 Cu 0.369505 0.869702 0.5 163 63.546 0.0273043 -3.53315 63.546000 Cu 0.490309 0.830403 0.5 141 63.546 0.00127407 -3.54039 63.546000 Cu 0.570399 0.845755 5.03678e-17 139 63.546 0.00758482 -3.54165 63.546000 Cu 0.630202 0.825547 0.5 140 63.546 0.0038123 -3.54106 63.546000 Cu 0.709823 0.840385 7.29672e-17 142 63.546 0.00160675 -3.53959 63.546000 Cu 0.650153 0.86094 0.5 145 63.546 0.0130558 -3.54201 63.546000 Cu 0.510504 0.865606 0.5 162 63.546 0.00491597 -3.54035 63.546000 Cu 0.990259 0.830284 9.72495e-17 124 63.546 0.00101163 -3.54027 63.546000 Cu 0.849793 0.834807 3.60629e-19 121 63.546 0.0079428 -3.53704 63.546000 Cu 0.910145 0.814946 0.5 122 63.546 0.00166513 -3.53922 63.546000 Cu 0.769828 0.819965 0.5 123 63.546 0.00292406 -3.53793 63.546000 Cu 0.930052 0.849987 0.5 127 63.546 0.00428279 -3.53839 63.546000 Cu 0.78943 0.854919 0.5 144 63.546 0.0119953 -3.5349 63.546000 Cu 0.869554 0.869606 1.32231e-17 146 63.546 0.0284106 -3.53369 63.546000 Cu 0.229223 0.875775 0.5 179 63.546 0.0116994 -3.53809 63.546000 Cu 0.170064 0.896754 7.71745e-17 129 63.546 0.0570586 -3.54129 63.546000 Cu 0.0904752 0.881325 0.5 130 63.546 0.0265452 -3.54185 63.546000 Cu 0.0308105 0.900966 2.40419e-19 150 63.546 0.0153481 -3.53831 63.546000 Cu 0.0513425 0.936582 2.40419e-19 151 63.546 0.0690118 -3.52666 63.546000 Cu 0.110944 0.917286 0.5 152 63.546 0.0860601 -3.53472 63.546000 Cu 0.190336 0.933129 2.24431e-16 154 63.546 0.270068 -3.51666 63.546000 Cu 0.248248 0.911306 0.5 183 63.546 0.0739836 -3.52455 63.546000 Cu 0.450168 0.885014 7.09236e-18 161 63.546 0.00993776 -3.53672 63.546000 Cu 0.308554 0.889663 3.45001e-17 180 63.546 0.070836 -3.52267 63.546000 Cu 0.327315 0.923619 1.32231e-17 181 63.546 0.471123 -3.47663 63.546000 Cu 0.389115 0.904108 0.5 182 63.546 0.105759 -3.52541 63.546000 Cu 0.470485 0.919832 1.1492e-16 184 63.546 0.0240422 -3.53163 63.546000 Cu 0.729418 0.875669 1.2021e-19 143 63.546 0.00991029 -3.5382 63.546000 Cu 0.590648 0.881269 9.97739e-18 164 63.546 0.025551 -3.54214 63.546000 Cu 0.611155 0.917189 1.2021e-19 165 63.546 0.085215 -3.53537 63.546000 Cu 0.670257 0.89665 0.5 166 63.546 0.0529856 -3.54155 63.546000 Cu 0.530938 0.90093 0.5 167 63.546 0.016416 -3.53883 63.546000 Cu 0.690492 0.933019 0.5 171 63.546 0.263087 -3.51708 63.546000 Cu 0.551423 0.936456 0.5 186 63.546 0.0682516 -3.52692 63.546000 Cu 0.748475 0.911213 1.2021e-19 168 63.546 0.0685051 -3.52526 63.546000 Cu 0.889229 0.904092 3.60629e-19 147 63.546 0.105004 -3.5262 63.546000 Cu 0.950117 0.884973 0.5 148 63.546 0.0106556 -3.53686 63.546000 Cu 0.808739 0.889597 0.5 149 63.546 0.0680017 -3.52364 63.546000 Cu 0.970507 0.919876 0.5 153 63.546 0.0250194 -3.53168 63.546000 Cu 0.82748 0.923617 0.5 170 63.546 0.453526 -3.4781 63.546000 Cu 0.212161 0.972329 1.86806e-16 155 63.546 4.70584 -3.52501 63.546000 Cu 0.130671 0.954088 0.5 156 63.546 0.434488 -3.5028 63.546000 Cu 0.063748 0.97235 1.56994e-16 176 63.546 0.346595 -3.52909 63.546000 Cu 0.129721 0.990623 0.5 177 63.546 0.414593 -3.50128 63.546000 Cu 0.264775 0.996928 0.5 215 63.546 5.65546 -3.42891 63.546000 Cu 0.409174 0.938032 0.5 187 63.546 0.431951 -3.49725 63.546000 Cu 0.265951 0.947764 0.5 195 63.546 5.61367 -3.4268 63.546000 Cu 0.34789 0.95617 1.22373e-16 196 63.546 7.38338 -3.26492 63.546000 Cu 0.346468 0.988179 2.40419e-19 197 63.546 7.35908 -3.27245 63.546000 Cu 0.419888 0.972204 0.5 198 63.546 3.40488 -3.47411 63.546000 Cu 0.489102 0.954692 1.2021e-19 185 63.546 0.189811 -3.53145 63.546000 Cu 0.488094 0.989646 1.32231e-17 200 63.546 0.171921 -3.52991 63.546000 Cu 0.630718 0.953931 1.04943e-16 188 63.546 0.427932 -3.50364 63.546000 Cu 0.629755 0.990411 4.42371e-17 189 63.546 0.423639 -3.50167 63.546000 Cu 0.712279 0.972169 0.5 190 63.546 4.72837 -3.52574 63.546000 Cu 0.563699 0.972162 0.5 191 63.546 0.339575 -3.52905 63.546000 Cu 0.764814 0.996776 2.54243e-16 202 63.546 5.62837 -3.42753 63.546000 Cu 0.989119 0.954824 0.5 174 63.546 0.18869 -3.53146 63.546000 Cu 0.988141 0.989812 0.5 178 63.546 0.176929 -3.53034 63.546000 Cu 0.766097 0.947653 1.32231e-17 169 63.546 5.63919 -3.42752 63.546000 Cu 0.909246 0.938076 1.53628e-16 172 63.546 0.427514 -3.49765 63.546000 Cu 0.919959 0.972291 1.27302e-16 173 63.546 3.43067 -3.47537 63.546000 Cu 0.847889 0.956183 0.5 175 63.546 7.38702 -3.26845 63.546000 Cu 0.846703 0.988252 0.5 193 63.546 7.3633 -3.27161