Number of particles = 396 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.0835 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 72.3064 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60709 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 0.0665795 0.0025858 1 204 63.546 0.424665 -3.52505 63.546000 Cu 0.0524465 0.0386973 2.4046e-18 209 63.546 0.0698465 -3.52757 63.546000 Cu 0.190877 0.0423079 0 210 63.546 0.235123 -3.52693 63.546000 Cu 0.131741 0.0210292 0.5 211 63.546 0.395283 -3.4983 63.546000 Cu 0.214224 0.00260636 4.47256e-17 213 63.546 4.69283 -3.57902 63.546000 Cu 0.111533 0.0582299 0.5 212 63.546 0.0747197 -3.53603 63.546000 Cu 0.349133 0.0186313 0 214 63.546 7.74266 -3.27247 63.546000 Cu 0.266019 0.0266781 0.5 215 63.546 5.66189 -3.47509 63.546000 Cu 0.423098 0.00259288 0.5 216 63.546 3.41947 -3.4944 63.546000 Cu 0.328059 0.051485 0 227 63.546 0.469943 -3.4806 63.546000 Cu 0.471404 0.0555201 1 228 63.546 0.0313408 -3.52844 63.546000 Cu 0.410259 0.0371176 0.5 229 63.546 0.496462 -3.48975 63.546000 Cu 0.490833 0.0203032 1 231 63.546 0.181938 -3.52643 63.546000 Cu 0.631741 0.0210292 0 232 63.546 0.395283 -3.4983 63.546000 Cu 0.566579 0.0025858 0.5 233 63.546 0.424665 -3.52505 63.546000 Cu 0.552447 0.0386973 0.5 234 63.546 0.0698465 -3.52757 63.546000 Cu 0.714224 0.00260636 0.5 235 63.546 4.69283 -3.57902 63.546000 Cu 0.690877 0.0423079 0.5 255 63.546 0.235123 -3.52693 63.546000 Cu 0.611533 0.0582299 1.49085e-17 253 63.546 0.0747197 -3.53603 63.546000 Cu 0.923098 0.00259288 1 203 63.546 3.41947 -3.4944 63.546000 Cu 0.990833 0.0203032 0.5 205 63.546 0.181938 -3.52643 63.546000 Cu 0.971404 0.0555201 0.5 207 63.546 0.0313408 -3.52844 63.546000 Cu 0.766019 0.0266781 1 257 63.546 5.66189 -3.47509 63.546000 Cu 0.910259 0.0371176 0 258 63.546 0.496462 -3.48975 63.546000 Cu 0.849133 0.0186313 0.5 259 63.546 7.74266 -3.27247 63.546000 Cu 0.828059 0.051485 0.5 260 63.546 0.469943 -3.4806 63.546000 Cu 0.0313146 0.074516 0 206 63.546 0.0145519 -3.53806 63.546000 Cu 0.0106976 0.109826 3.655e-17 219 63.546 0.00364025 -3.54067 63.546000 Cu 0.150301 0.114396 0 220 63.546 0.0143134 -3.54289 63.546000 Cu 0.0909329 0.0941533 0.5 221 63.546 0.0239336 -3.5421 63.546000 Cu 0.170543 0.07879 0 223 63.546 0.048855 -3.5409 63.546000 Cu 0.248985 0.064059 0.5 225 63.546 0.0828217 -3.5343 63.546000 Cu 0.229753 0.0996786 0.5 226 63.546 0.010633 -3.54045 63.546000 Cu 0.309237 0.0857783 1 224 63.546 0.0695713 -3.52018 63.546000 Cu 0.389715 0.0712416 0.5 230 63.546 0.10049 -3.52156 63.546000 Cu 0.369868 0.10573 0.5 247 63.546 0.02626 -3.52934 63.546000 Cu 0.450598 0.0904195 0 249 63.546 0.00932838 -3.53494 63.546000 Cu 0.590933 0.0941533 0 250 63.546 0.0239336 -3.5421 63.546000 Cu 0.531315 0.074516 0.5 251 63.546 0.0145519 -3.53806 63.546000 Cu 0.510698 0.109826 0.5 252 63.546 0.00364025 -3.54067 63.546000 Cu 0.748985 0.064059 0 254 63.546 0.0828217 -3.5343 63.546000 Cu 0.670543 0.07879 0.5 256 63.546 0.048855 -3.5409 63.546000 Cu 0.650301 0.114396 0.5 279 63.546 0.0143134 -3.54289 63.546000 Cu 0.729753 0.0996786 4.40042e-17 281 63.546 0.010633 -3.54045 63.546000 Cu 0.950598 0.0904195 0.5 208 63.546 0.00932838 -3.53494 63.546000 Cu 0.869868 0.10573 4.47256e-17 282 63.546 0.02626 -3.52934 63.546000 Cu 0.809237 0.0857783 0.5 283 63.546 0.0695713 -3.52018 63.546000 Cu 0.889715 0.0712416 1.27444e-17 285 63.546 0.10049 -3.52156 63.546000 Cu 0.0704669 0.129585 0.5 222 63.546 0.00761099 -3.54284 63.546000 Cu 0.050225 0.164807 0.5 239 63.546 0.0020559 -3.54188 63.546000 Cu 0.130126 0.149698 6.61266e-17 241 63.546 0.00428809 -3.54225 63.546000 Cu 0.209807 0.134872 0.5 243 63.546 0.00222705 -3.54045 63.546000 Cu 0.189886 0.16994 0.5 244 63.546 0.000632541 -3.54004 63.546000 Cu 0.269723 0.155213 1.87559e-17 242 63.546 0.00290028 -3.53664 63.546000 Cu 0.289586 0.120404 0 245 63.546 0.0131849 -3.53194 63.546000 Cu 0.430217 0.125309 1 246 63.546 0.00371241 -3.53727 63.546000 Cu 0.349844 0.140416 0.5 248 63.546 0.00704559 -3.53513 63.546000 Cu 0.329892 0.175234 0.5 271 63.546 0.00201101 -3.53761 63.546000 Cu 0.410082 0.160198 1.58704e-17 273 63.546 0.00123915 -3.53862 63.546000 Cu 0.490305 0.144953 0.5 275 63.546 0.00105372 -3.54071 63.546000 Cu 0.550225 0.164807 5.31417e-17 274 63.546 0.0020559 -3.54188 63.546000 Cu 0.570467 0.129585 1.80345e-17 277 63.546 0.00761099 -3.54284 63.546000 Cu 0.709807 0.134872 5.79509e-17 278 63.546 0.00222705 -3.54045 63.546000 Cu 0.630126 0.149698 0.5 280 63.546 0.00428809 -3.54225 63.546000 Cu 0.689886 0.16994 1.87559e-17 305 63.546 0.000632541 -3.54004 63.546000 Cu 0.990305 0.144953 7.04549e-17 217 63.546 0.00105372 -3.54071 63.546000 Cu 0.930217 0.125309 0.5 218 63.546 0.00371241 -3.53727 63.546000 Cu 0.789586 0.120404 0.5 284 63.546 0.0131849 -3.53194 63.546000 Cu 0.829892 0.175234 0 306 63.546 0.00201101 -3.53761 63.546000 Cu 0.769723 0.155213 0.5 307 63.546 0.00290028 -3.53664 63.546000 Cu 0.849844 0.140416 0 309 63.546 0.00704559 -3.53513 63.546000 Cu 0.910082 0.160198 0.5 310 63.546 0.00123915 -3.53862 63.546000 Cu 0.110035 0.184847 6.97335e-18 238 63.546 0.00120798 -3.54132 63.546000 Cu 0.0300977 0.199909 0.5 240 63.546 0.000539868 -3.54114 63.546000 Cu 0.010025 0.234972 0.5 263 63.546 4.81908e-05 -3.54107 63.546000 Cu 0.0900082 0.219923 0 265 63.546 0.000318827 -3.54119 63.546000 Cu 0.229956 0.225033 3.72713e-17 266 63.546 9.94814e-05 -3.53898 63.546000 Cu 0.169933 0.204961 0.5 267 63.546 0.000211822 -3.54047 63.546000 Cu 0.249873 0.1901 1 269 63.546 0.000548042 -3.53852 63.546000 Cu 0.390039 0.195122 7.21381e-18 270 63.546 0.000465075 -3.53906 63.546000 Cu 0.309977 0.210119 0.5 272 63.546 0.000479982 -3.53842 63.546000 Cu 0.470166 0.180001 0.5 276 63.546 0.000280729 -3.54033 63.546000 Cu 0.370033 0.230065 0 297 63.546 0.000161806 -3.53919 63.546000 Cu 0.450068 0.21502 0.5 299 63.546 8.82787e-05 -3.54022 63.546000 Cu 0.510025 0.234972 2.06796e-17 298 63.546 4.81908e-05 -3.54107 63.546000 Cu 0.530098 0.199909 7.16572e-17 301 63.546 0.000539868 -3.54114 63.546000 Cu 0.669933 0.204961 2.21223e-17 302 63.546 0.000211822 -3.54047 63.546000 Cu 0.610035 0.184847 0.5 303 63.546 0.00120798 -3.54132 63.546000 Cu 0.590008 0.219923 0.5 304 63.546 0.000318827 -3.54119 63.546000 Cu 0.749873 0.1901 0.5 308 63.546 0.000548042 -3.53852 63.546000 Cu 0.729956 0.225033 0.5 331 63.546 9.94814e-05 -3.53898 63.546000 Cu 0.950068 0.21502 0 236 63.546 8.82787e-05 -3.54022 63.546000 Cu 0.970166 0.180001 0 237 63.546 0.000280729 -3.54033 63.546000 Cu 0.809977 0.210119 1 333 63.546 0.000479982 -3.53842 63.546000 Cu 0.890039 0.195122 0.5 334 63.546 0.000465075 -3.53906 63.546000 Cu 0.870033 0.230065 0.5 335 63.546 0.000161806 -3.53919 63.546000 Cu 0.0699906 0.254959 1 262 63.546 7.26219e-05 -3.54042 63.546000 Cu 0.149977 0.239957 0.5 268 63.546 0.00012303 -3.53978 63.546000 Cu 0.0499372 0.289969 8.36802e-17 289 63.546 8.11102e-05 -3.54018 63.546000 Cu 0.129978 0.274921 0.5 291 63.546 0.000188607 -3.53931 63.546000 Cu 0.209986 0.25996 0 293 63.546 4.42215e-05 -3.53873 63.546000 Cu 0.350045 0.265036 7.69473e-18 294 63.546 0.000127618 -3.54024 63.546000 Cu 0.290008 0.24503 0.5 295 63.546 4.36569e-05 -3.53881 63.546000 Cu 0.270059 0.279962 0.5 296 63.546 7.77641e-05 -3.53918 63.546000 Cu 0.430044 0.25003 0.5 300 63.546 6.93491e-05 -3.54062 63.546000 Cu 0.410022 0.285065 0.5 323 63.546 0.00029451 -3.54113 63.546000 Cu 0.489999 0.270017 0 325 63.546 4.79148e-05 -3.54084 63.546000 Cu 0.629978 0.274921 0 326 63.546 0.000188607 -3.53931 63.546000 Cu 0.569991 0.254959 0.5 327 63.546 7.26219e-05 -3.54042 63.546000 Cu 0.549937 0.289969 0.5 328 63.546 8.11102e-05 -3.54018 63.546000 Cu 0.649977 0.239957 0 329 63.546 0.00012303 -3.53978 63.546000 Cu 0.709986 0.25996 0.5 332 63.546 4.42215e-05 -3.53873 63.546000 Cu 0.930044 0.25003 1 261 63.546 6.93491e-05 -3.54062 63.546000 Cu 0.989999 0.270017 0.5 264 63.546 4.79148e-05 -3.54084 63.546000 Cu 0.790008 0.24503 0 330 63.546 4.36569e-05 -3.53881 63.546000 Cu 0.770059 0.279962 0 357 63.546 7.77641e-05 -3.53918 63.546000 Cu 0.910022 0.285065 1 358 63.546 0.00029451 -3.54113 63.546000 Cu 0.850045 0.265036 0.5 359 63.546 0.000127618 -3.54024 63.546000 Cu 0.0298604 0.324983 1.13978e-16 286 63.546 0.000284553 -3.54054 63.546000 Cu 0.190049 0.294878 7.81496e-17 290 63.546 0.000413476 -3.5387 63.546000 Cu 0.109977 0.309869 0.5 292 63.546 0.000434679 -3.53917 63.546000 Cu 0.0899568 0.344784 0.5 315 63.546 0.00127478 -3.53861 63.546000 Cu 0.170124 0.329758 0 317 63.546 0.00177928 -3.53744 63.546000 Cu 0.230279 0.349769 0.5 320 63.546 0.00286056 -3.53664 63.546000 Cu 0.250169 0.314885 0.5 319 63.546 0.00059368 -3.53819 63.546000 Cu 0.310154 0.335035 1 318 63.546 0.000588492 -3.54002 63.546000 Cu 0.33008 0.300032 0 321 63.546 0.000242572 -3.54003 63.546000 Cu 0.469923 0.305073 1 322 63.546 0.000461237 -3.54126 63.546000 Cu 0.389955 0.320136 0.5 324 63.546 0.00123243 -3.54113 63.546000 Cu 0.449785 0.340177 7.86305e-17 349 63.546 0.0021556 -3.54189 63.546000 Cu 0.589957 0.344784 0 350 63.546 0.00127478 -3.53861 63.546000 Cu 0.52986 0.324983 0.5 351 63.546 0.000284553 -3.54054 63.546000 Cu 0.609977 0.309869 3.43858e-17 353 63.546 0.000434679 -3.53917 63.546000 Cu 0.690049 0.294878 0.5 355 63.546 0.000413476 -3.5387 63.546000 Cu 0.670124 0.329758 0.5 356 63.546 0.00177928 -3.53744 63.546000 Cu 0.730279 0.349769 1.97177e-17 379 63.546 0.00286056 -3.53664 63.546000 Cu 0.750169 0.314885 1 354 63.546 0.00059368 -3.53819 63.546000 Cu 0.969923 0.305073 0.5 287 63.546 0.000461237 -3.54126 63.546000 Cu 0.949785 0.340177 0.5 288 63.546 0.0021556 -3.54189 63.546000 Cu 0.83008 0.300032 0.5 360 63.546 0.000242572 -3.54003 63.546000 Cu 0.810154 0.335035 0.5 381 63.546 0.000588492 -3.54002 63.546000 Cu 0.889955 0.320136 1.89964e-17 383 63.546 0.00123243 -3.54113 63.546000 Cu 0.00969932 0.360027 4.42447e-17 313 63.546 0.00103677 -3.5408 63.546000 Cu 0.150193 0.364563 1.70727e-17 314 63.546 0.00712789 -3.535 63.546000 Cu 0.0697911 0.379677 0.5 316 63.546 0.00342787 -3.53727 63.546000 Cu 0.130133 0.399248 0 341 63.546 0.0259244 -3.52948 63.546000 Cu 0.210439 0.384569 0.5 343 63.546 0.0135298 -3.5321 63.546000 Cu 0.270282 0.405294 2.64506e-17 342 63.546 0.0103951 -3.54059 63.546000 Cu 0.290207 0.370107 2.16414e-17 345 63.546 0.00226904 -3.54059 63.546000 Cu 0.429569 0.37539 6.6367e-17 346 63.546 0.0073598 -3.54282 63.546000 Cu 0.369912 0.35528 0.5 347 63.546 0.00421251 -3.54236 63.546000 Cu 0.349715 0.390581 0.5 348 63.546 0.0145268 -3.54289 63.546000 Cu 0.409076 0.410818 0 371 63.546 0.0238731 -3.54206 63.546000 Cu 0.489341 0.395148 0.5 373 63.546 0.00360413 -3.54048 63.546000 Cu 0.509699 0.360027 0.5 352 63.546 0.00103677 -3.5408 63.546000 Cu 0.569791 0.379677 0 375 63.546 0.00342787 -3.53727 63.546000 Cu 0.710439 0.384569 0 376 63.546 0.0135298 -3.5321 63.546000 Cu 0.650193 0.364563 0.5 377 63.546 0.00712789 -3.535 63.546000 Cu 0.630133 0.399248 0.5 378 63.546 0.0259244 -3.52948 63.546000 Cu 0.909076 0.410818 0.5 198 63.546 0.0238731 -3.54206 63.546000 Cu 0.849715 0.390581 7.06953e-17 202 63.546 0.0145268 -3.54289 63.546000 Cu 0.989341 0.395148 0 311 63.546 0.00360413 -3.54048 63.546000 Cu 0.929569 0.37539 0.5 312 63.546 0.0073598 -3.54282 63.546000 Cu 0.869912 0.35528 2.23628e-17 380 63.546 0.00421251 -3.54236 63.546000 Cu 0.790207 0.370107 0.5 382 63.546 0.00226904 -3.54059 63.546000 Cu 0.770282 0.405294 0.5 395 63.546 0.0103951 -3.54059 63.546000 Cu 0.110301 0.433731 4.73707e-17 338 63.546 0.100126 -3.52132 63.546000 Cu 0.0494097 0.414551 0.5 339 63.546 0.00954531 -3.53493 63.546000 Cu 0.0285938 0.449451 0.5 340 63.546 0.0309628 -3.5282 63.546000 Cu 0.190759 0.419202 0.5 344 63.546 0.0680517 -3.52016 63.546000 Cu 0.0897141 0.467843 0 363 63.546 0.495162 -3.48999 63.546000 Cu 0.171954 0.453476 0.5 365 63.546 0.470529 -3.48045 63.546000 Cu 0.250969 0.440904 5.77105e-17 367 63.546 0.0821688 -3.53423 63.546000 Cu 0.388493 0.44673 6.61266e-17 368 63.546 0.0738021 -3.53643 63.546000 Cu 0.329466 0.426176 0.5 369 63.546 0.0482552 -3.5411 63.546000 Cu 0.309122 0.462651 0.5 370 63.546 0.234819 -3.52717 63.546000 Cu 0.468692 0.430454 0.5 374 63.546 0.0144254 -3.53821 63.546000 Cu 0.447586 0.46626 0.5 387 63.546 0.0688759 -3.52732 63.546000 Cu 0.54941 0.414551 1 372 63.546 0.00954531 -3.53493 63.546000 Cu 0.528594 0.449451 0 389 63.546 0.0309628 -3.5282 63.546000 Cu 0.671954 0.453476 0 390 63.546 0.470529 -3.48045 63.546000 Cu 0.610301 0.433731 0.5 391 63.546 0.100126 -3.52132 63.546000 Cu 0.589714 0.467843 0.5 392 63.546 0.495162 -3.48999 63.546000 Cu 0.690759 0.419202 5.36226e-17 393 63.546 0.0680517 -3.52016 63.546000 Cu 0.750969 0.440904 0.5 396 63.546 0.0821688 -3.53423 63.546000 Cu 0.888493 0.44673 0.5 5 63.546 0.0738021 -3.53643 63.546000 Cu 0.809122 0.462651 4.90539e-17 15 63.546 0.234819 -3.52717 63.546000 Cu 0.947586 0.46626 6.92526e-17 336 63.546 0.0688759 -3.52732 63.546000 Cu 0.968692 0.430454 3.75118e-17 337 63.546 0.0144254 -3.53821 63.546000 Cu 0.829466 0.426176 8.68062e-17 394 63.546 0.0482552 -3.5411 63.546000 Cu 0.00916689 0.520072 0.5 2 63.546 0.18238 -3.52642 63.546000 Cu 0.0768872 0.502362 0 32 63.546 3.42404 -3.49426 63.546000 Cu 0.150985 0.518351 0.5 34 63.546 7.73816 -3.27384 63.546000 Cu 0.00915257 0.484651 0.5 362 63.546 0.182489 -3.5263 63.546000 Cu 0.233972 0.47827 2.4046e-19 364 63.546 5.65623 -3.47508 63.546000 Cu 0.150893 0.48634 0.5 366 63.546 7.74115 -3.27319 63.546000 Cu 0.23402 0.526461 2.4046e-19 35 63.546 5.6559 -3.47463 63.546000 Cu 0.368229 0.520779 6.25197e-18 14 63.546 0.400131 -3.49819 63.546000 Cu 0.285773 0.50233 0.5 384 63.546 4.68791 -3.57937 63.546000 Cu 0.368229 0.483913 5.36226e-17 385 63.546 0.39473 -3.49858 63.546000 Cu 0.433429 0.502359 0.5 388 63.546 0.423135 -3.52527 63.546000 Cu 0.650985 0.518351 3.84736e-18 3 63.546 7.73816 -3.27384 63.546000 Cu 0.576887 0.502362 0.5 4 63.546 3.42404 -3.49426 63.546000 Cu 0.733972 0.47827 0.5 16 63.546 5.65623 -3.47508 63.546000 Cu 0.509167 0.520072 4.44852e-17 17 63.546 0.18238 -3.52642 63.546000 Cu 0.650893 0.48634 0 195 63.546 7.74115 -3.27319 63.546000 Cu 0.509153 0.484651 0 386 63.546 0.182489 -3.5263 63.546000 Cu 0.73402 0.526461 0.5 8 63.546 5.6559 -3.47463 63.546000 Cu 0.868229 0.483913 0.5 1 63.546 0.39473 -3.49858 63.546000 Cu 0.868229 0.520779 0.5 7 63.546 0.400131 -3.49819 63.546000 Cu 0.785773 0.50233 0 194 63.546 4.68791 -3.57937 63.546000 Cu 0.933429 0.502359 4.92944e-17 361 63.546 0.423135 -3.52527 63.546000 Cu 0.0286392 0.555302 0.5 11 63.546 0.0335926 -3.52852 63.546000 Cu 0.0897106 0.536872 1 33 63.546 0.496545 -3.49073 63.546000 Cu 0.172026 0.551209 0.5 38 63.546 0.455656 -3.48161 63.546000 Cu 0.110433 0.570991 0 58 63.546 0.0990851 -3.52163 63.546000 Cu 0.190959 0.585527 0.5 60 63.546 0.0673106 -3.52029 63.546000 Cu 0.251096 0.563829 5.07371e-17 36 63.546 0.079615 -3.53443 63.546000 Cu 0.447543 0.538449 0.5 20 63.546 0.0698239 -3.52718 63.546000 Cu 0.309155 0.54204 0.5 37 63.546 0.235562 -3.52602 63.546000 Cu 0.388445 0.557981 5.77105e-18 39 63.546 0.0769614 -3.53619 63.546000 Cu 0.468733 0.574269 0.5 41 63.546 0.0154769 -3.53776 63.546000 Cu 0.329561 0.578557 0.5 42 63.546 0.0482539 -3.54069 63.546000 Cu 0.528639 0.555302 1 18 63.546 0.0335926 -3.52852 63.546000 Cu 0.589711 0.536872 0.5 19 63.546 0.496545 -3.49073 63.546000 Cu 0.672026 0.551209 1.36101e-16 21 63.546 0.455656 -3.48161 63.546000 Cu 0.690959 0.585527 1.85154e-17 22 63.546 0.0673106 -3.52029 63.546000 Cu 0.610433 0.570991 0.5 24 63.546 0.0990851 -3.52163 63.546000 Cu 0.751096 0.563829 0.5 23 63.546 0.079615 -3.53443 63.546000 Cu 0.809155 0.54204 7.21381e-18 6 63.546 0.235562 -3.52602 63.546000 Cu 0.947543 0.538449 5.81914e-17 9 63.546 0.0698239 -3.52718 63.546000 Cu 0.968733 0.574269 0 10 63.546 0.0154769 -3.53776 63.546000 Cu 0.888445 0.557981 0.5 12 63.546 0.0769614 -3.53619 63.546000 Cu 0.829561 0.578557 2.59697e-17 25 63.546 0.0482539 -3.54069 63.546000 Cu 0.0496184 0.590188 0.5 13 63.546 0.00974752 -3.53469 63.546000 Cu 0.00966737 0.644739 3.39049e-17 30 63.546 0.00113432 -3.54083 63.546000 Cu 0.130285 0.605486 0 59 63.546 0.0252952 -3.5295 63.546000 Cu 0.210475 0.620175 0.5 64 63.546 0.0123226 -3.53225 63.546000 Cu 0.0698298 0.625089 0.5 82 63.546 0.00388186 -3.53753 63.546000 Cu 0.150132 0.640213 0 83 63.546 0.00720202 -3.53543 63.546000 Cu 0.409245 0.593917 7.14167e-17 40 63.546 0.0244647 -3.54187 63.546000 Cu 0.489424 0.60958 0.5 46 63.546 0.0039282 -3.54053 63.546000 Cu 0.270433 0.599463 1 61 63.546 0.00995616 -3.54029 63.546000 Cu 0.290173 0.634669 1 62 63.546 0.00192565 -3.54037 63.546000 Cu 0.349824 0.614177 0.5 63 63.546 0.0137455 -3.54265 63.546000 Cu 0.429561 0.629357 0 65 63.546 0.00804372 -3.54276 63.546000 Cu 0.549618 0.590188 2.18819e-17 43 63.546 0.00974752 -3.53469 63.546000 Cu 0.56983 0.625089 3.36644e-18 44 63.546 0.00388186 -3.53753 63.546000 Cu 0.630285 0.605486 0.5 45 63.546 0.0252952 -3.5295 63.546000 Cu 0.710475 0.620175 3.07789e-17 47 63.546 0.0123226 -3.53225 63.546000 Cu 0.650132 0.640213 0.5 50 63.546 0.00720202 -3.53543 63.546000 Cu 0.509667 0.644739 0.5 67 63.546 0.00113432 -3.54083 63.546000 Cu 0.849824 0.614177 0 26 63.546 0.0137455 -3.54265 63.546000 Cu 0.909245 0.593917 0.5 27 63.546 0.0244647 -3.54187 63.546000 Cu 0.770433 0.599463 0.5 28 63.546 0.00995616 -3.54029 63.546000 Cu 0.989424 0.60958 0 29 63.546 0.0039282 -3.54053 63.546000 Cu 0.929561 0.629357 0.5 31 63.546 0.00804372 -3.54276 63.546000 Cu 0.790173 0.634669 0.5 49 63.546 0.00192565 -3.54037 63.546000 Cu 0.0298093 0.679838 3.79927e-17 55 63.546 0.000300348 -3.54039 63.546000 Cu 0.17007 0.675075 7.02144e-17 84 63.546 0.00213576 -3.53763 63.546000 Cu 0.230223 0.655021 0.5 85 63.546 0.00269181 -3.53671 63.546000 Cu 0.0898864 0.660019 0.5 86 63.546 0.00140624 -3.53862 63.546000 Cu 0.109931 0.694991 0.5 108 63.546 0.00053351 -3.53902 63.546000 Cu 0.250088 0.689957 0.5 90 63.546 0.000540872 -3.53865 63.546000 Cu 0.449741 0.664616 1 66 63.546 0.00226068 -3.54192 63.546000 Cu 0.369848 0.649498 0.5 68 63.546 0.00423719 -3.54215 63.546000 Cu 0.31007 0.669767 0 87 63.546 0.00057874 -3.54 63.546000 Cu 0.330046 0.704836 1.32253e-17 88 63.546 0.000220114 -3.54051 63.546000 Cu 0.389935 0.684686 0.5 89 63.546 0.0013269 -3.54135 63.546000 Cu 0.469887 0.699774 0 91 63.546 0.000581649 -3.54121 63.546000 Cu 0.730223 0.655021 1 48 63.546 0.00269181 -3.53671 63.546000 Cu 0.589886 0.660019 1 69 63.546 0.00140624 -3.53862 63.546000 Cu 0.609931 0.694991 9.76269e-17 70 63.546 0.00053351 -3.53902 63.546000 Cu 0.67007 0.675075 0.5 71 63.546 0.00213576 -3.53763 63.546000 Cu 0.529809 0.679838 0.5 72 63.546 0.000300348 -3.54039 63.546000 Cu 0.750088 0.689957 1 73 63.546 0.000540872 -3.53865 63.546000 Cu 0.869848 0.649498 0 51 63.546 0.00423719 -3.54215 63.546000 Cu 0.889935 0.684686 3.10194e-17 52 63.546 0.0013269 -3.54135 63.546000 Cu 0.949741 0.664616 0.5 53 63.546 0.00226068 -3.54192 63.546000 Cu 0.81007 0.669767 0.5 54 63.546 0.00057874 -3.54 63.546000 Cu 0.969887 0.699774 0.5 57 63.546 0.000581649 -3.54121 63.546000 Cu 0.830046 0.704836 0.5 75 63.546 0.000220114 -3.54051 63.546000 Cu 0.0499154 0.714915 0 56 63.546 9.06622e-05 -3.54034 63.546000 Cu 0.190007 0.710012 0 109 63.546 0.000530535 -3.53857 63.546000 Cu 0.209993 0.744982 0 110 63.546 5.32148e-05 -3.53881 63.546000 Cu 0.129956 0.729995 0.5 112 63.546 0.000208606 -3.53932 63.546000 Cu 0.069958 0.749993 8.41611e-18 132 63.546 8.78709e-05 -3.54066 63.546000 Cu 0.489969 0.734901 1 92 63.546 5.07586e-05 -3.54112 63.546000 Cu 0.409979 0.719818 0.5 94 63.546 0.000384648 -3.54122 63.546000 Cu 0.270032 0.724946 0.5 111 63.546 9.76846e-05 -3.53906 63.546000 Cu 0.350025 0.73989 4.83325e-17 113 63.546 0.000148461 -3.53977 63.546000 Cu 0.430013 0.754918 0.5 115 63.546 9.23403e-05 -3.54045 63.546000 Cu 0.29002 0.759931 0.5 116 63.546 5.25251e-05 -3.53873 63.546000 Cu 0.690007 0.710012 0.5 76 63.546 0.000530535 -3.53857 63.546000 Cu 0.549915 0.714915 0.5 93 63.546 9.06622e-05 -3.54034 63.546000 Cu 0.629956 0.729995 3.12598e-18 95 63.546 0.000208606 -3.53932 63.546000 Cu 0.709993 0.744982 0.5 97 63.546 5.32148e-05 -3.53881 63.546000 Cu 0.569958 0.749993 0.5 98 63.546 8.78709e-05 -3.54066 63.546000 Cu 0.770032 0.724946 1 74 63.546 9.76846e-05 -3.53906 63.546000 Cu 0.909979 0.719818 5.53059e-18 77 63.546 0.000384648 -3.54122 63.546000 Cu 0.930013 0.754918 1 78 63.546 9.23403e-05 -3.54045 63.546000 Cu 0.989969 0.734901 0.5 79 63.546 5.07586e-05 -3.54112 63.546000 Cu 0.850025 0.73989 0.5 80 63.546 0.000148461 -3.53977 63.546000 Cu 0.79002 0.759931 0 99 63.546 5.25251e-05 -3.53873 63.546000 Cu 0.0100124 0.770011 0.5 81 63.546 4.97501e-05 -3.54088 63.546000 Cu 0.0301039 0.805133 0.5 105 63.546 0.000493483 -3.54127 63.546000 Cu 0.0899943 0.785093 0 133 63.546 0.000360984 -3.54112 63.546000 Cu 0.149961 0.765025 0.5 134 63.546 0.000154308 -3.54021 63.546000 Cu 0.229961 0.779972 1 135 63.546 7.88464e-05 -3.53927 63.546000 Cu 0.249877 0.814956 6.49243e-18 136 63.546 0.000575589 -3.53836 63.546000 Cu 0.169946 0.800082 0.5 138 63.546 0.000251283 -3.54007 63.546000 Cu 0.110081 0.820224 7.45427e-18 158 63.546 0.00130134 -3.54116 63.546000 Cu 0.370042 0.774915 4.06378e-17 114 63.546 0.000233418 -3.53938 63.546000 Cu 0.450087 0.789997 0.5 120 63.546 8.47183e-05 -3.54027 63.546000 Cu 0.309978 0.794909 0.5 137 63.546 0.000465591 -3.53882 63.546000 Cu 0.390061 0.809927 0 139 63.546 0.000502523 -3.53923 63.546000 Cu 0.649961 0.765025 6.34815e-17 96 63.546 0.000154308 -3.54021 63.546000 Cu 0.729961 0.779972 0.5 102 63.546 7.88464e-05 -3.53927 63.546000 Cu 0.510012 0.770011 5.50654e-17 117 63.546 4.97501e-05 -3.54088 63.546000 Cu 0.530104 0.805133 1.08207e-16 118 63.546 0.000493483 -3.54127 63.546000 Cu 0.589994 0.785093 0.5 119 63.546 0.000360984 -3.54112 63.546000 Cu 0.669946 0.800082 6.13174e-17 121 63.546 0.000251283 -3.54007 63.546000 Cu 0.749877 0.814956 0.5 123 63.546 0.000575589 -3.53836 63.546000 Cu 0.610081 0.820224 0.5 124 63.546 0.00130134 -3.54116 63.546000 Cu 0.809978 0.794909 8.56039e-17 100 63.546 0.000465591 -3.53882 63.546000 Cu 0.870042 0.774915 0.5 101 63.546 0.000233418 -3.53938 63.546000 Cu 0.950087 0.789997 0 103 63.546 8.47183e-05 -3.54027 63.546000 Cu 0.890061 0.809927 0.5 106 63.546 0.000502523 -3.53923 63.546000 Cu 0.0502529 0.840301 0.5 107 63.546 0.00232177 -3.54199 63.546000 Cu 0.13013 0.855417 4.32829e-18 159 63.546 0.00414364 -3.54229 63.546000 Cu 0.189906 0.835141 0.5 160 63.546 0.000529366 -3.53996 63.546000 Cu 0.209821 0.870251 0.5 164 63.546 0.00193423 -3.54052 63.546000 Cu 0.0704122 0.875562 0.5 180 63.546 0.00781656 -3.54273 63.546000 Cu 0.41009 0.844901 1.38505e-16 140 63.546 0.00140576 -3.53861 63.546000 Cu 0.470178 0.825078 0.5 141 63.546 0.000305601 -3.54062 63.546000 Cu 0.329923 0.829849 0.5 142 63.546 0.00190823 -3.5376 63.546000 Cu 0.49033 0.860181 0.5 146 63.546 0.00112967 -3.54087 63.546000 Cu 0.269782 0.849898 2.7172e-17 161 63.546 0.00266125 -3.53676 63.546000 Cu 0.349843 0.86471 0.5 163 63.546 0.00714966 -3.53526 63.546000 Cu 0.430162 0.879841 1.27444e-17 165 63.546 0.00366323 -3.53745 63.546000 Cu 0.689906 0.835141 1.92368e-18 122 63.546 0.000529366 -3.53996 63.546000 Cu 0.550253 0.840301 0 143 63.546 0.00232177 -3.54199 63.546000 Cu 0.570412 0.875562 1.63753e-16 144 63.546 0.00781656 -3.54273 63.546000 Cu 0.63013 0.855417 0.5 145 63.546 0.00414364 -3.54229 63.546000 Cu 0.709821 0.870251 2.50079e-17 147 63.546 0.00193423 -3.54052 63.546000 Cu 0.970178 0.825078 0 104 63.546 0.000305601 -3.54062 63.546000 Cu 0.829923 0.829849 1.046e-16 125 63.546 0.00190823 -3.5376 63.546000 Cu 0.849843 0.86471 1.31051e-16 126 63.546 0.00714966 -3.53526 63.546000 Cu 0.91009 0.844901 0.5 127 63.546 0.00140576 -3.53861 63.546000 Cu 0.769782 0.849898 0.5 128 63.546 0.00266125 -3.53676 63.546000 Cu 0.99033 0.860181 0 129 63.546 0.00112967 -3.54087 63.546000 Cu 0.930162 0.879841 0.5 131 63.546 0.00366323 -3.53745 63.546000 Cu 0.0105504 0.895345 4.03973e-17 130 63.546 0.00390608 -3.54043 63.546000 Cu 0.0312412 0.930669 0 155 63.546 0.0153537 -3.53794 63.546000 Cu 0.150169 0.890749 0 181 63.546 0.0138659 -3.54255 63.546000 Cu 0.170418 0.926369 1 182 63.546 0.0473815 -3.54079 63.546000 Cu 0.229536 0.905462 0.5 183 63.546 0.00973978 -3.54035 63.546000 Cu 0.090745 0.911009 0.5 184 63.546 0.0242933 -3.5418 63.546000 Cu 0.248932 0.941101 0.5 188 63.546 0.078623 -3.53442 63.546000 Cu 0.289522 0.884747 1 162 63.546 0.012452 -3.53235 63.546000 Cu 0.450365 0.914742 0 166 63.546 0.00985688 -3.53494 63.546000 Cu 0.369715 0.899444 0.5 168 63.546 0.0249967 -3.52967 63.546000 Cu 0.309043 0.919413 1 185 63.546 0.0658513 -3.52055 63.546000 Cu 0.389541 0.933956 0.5 187 63.546 0.0978839 -3.52158 63.546000 Cu 0.729536 0.905462 1.77941e-17 148 63.546 0.00973978 -3.54035 63.546000 Cu 0.650169 0.890749 0.5 150 63.546 0.0138659 -3.54255 63.546000 Cu 0.51055 0.895345 0.5 167 63.546 0.00390608 -3.54043 63.546000 Cu 0.590745 0.911009 2.4046e-17 169 63.546 0.0242933 -3.5418 63.546000 Cu 0.670418 0.926369 0.5 171 63.546 0.0473815 -3.54079 63.546000 Cu 0.531241 0.930669 0.5 172 63.546 0.0153537 -3.53794 63.546000 Cu 0.748932 0.941101 1 173 63.546 0.078623 -3.53442 63.546000 Cu 0.789522 0.884747 0.5 149 63.546 0.012452 -3.53235 63.546000 Cu 0.869715 0.899444 0 151 63.546 0.0249967 -3.52967 63.546000 Cu 0.889541 0.933956 4.11187e-17 152 63.546 0.0978839 -3.52158 63.546000 Cu 0.950365 0.914742 0.5 153 63.546 0.00985688 -3.53494 63.546000 Cu 0.809043 0.919413 0.5 154 63.546 0.0658513 -3.52055 63.546000 Cu 0.052422 0.966488 4.56875e-18 156 63.546 0.0694766 -3.52692 63.546000 Cu 0.111509 0.94695 0.5 196 63.546 0.0761355 -3.53632 63.546000 Cu 0.190823 0.962891 0 197 63.546 0.234587 -3.52614 63.546000 Cu 0.131765 0.984159 0.5 200 63.546 0.401018 -3.49813 63.546000 Cu 0.32796 0.953732 0 186 63.546 0.454539 -3.48167 63.546000 Cu 0.471342 0.949645 0 189 63.546 0.0331085 -3.52827 63.546000 Cu 0.490817 0.984873 2.76529e-17 190 63.546 0.182398 -3.52651 63.546000 Cu 0.410289 0.968072 0.5 192 63.546 0.494612 -3.49085 63.546000 Cu 0.265975 0.978469 0.5 199 63.546 5.65936 -3.47438 63.546000 Cu 0.348984 0.986608 4.28019e-17 201 63.546 7.7443 -3.27519 63.546000 Cu 0.611509 0.94695 1.68322e-18 170 63.546 0.0761355 -3.53632 63.546000 Cu 0.690823 0.962891 0.5 176 63.546 0.234587 -3.52614 63.546000 Cu 0.552422 0.966488 0.5 191 63.546 0.0694766 -3.52692 63.546000 Cu 0.631765 0.984159 0 193 63.546 0.401018 -3.49813 63.546000 Cu 0.971342 0.949645 0.5 157 63.546 0.0331085 -3.52827 63.546000 Cu 0.765975 0.978469 1 174 63.546 5.65936 -3.47438 63.546000 Cu 0.82796 0.953732 0.5 175 63.546 0.454539 -3.48167 63.546000 Cu 0.910289 0.968072 1 177 63.546 0.494612 -3.49085 63.546000 Cu 0.990817 0.984873 0.5 178 63.546 0.182398 -3.52651 63.546000 Cu 0.848984 0.986608 0.5 179 63.546 7.7443 -3.27519