Number of particles = 412 A = 1 Angstrom (basic length-scale) H0(1,1) = 18.4591 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 73.7378 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60816 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 0.00198898 0.0577532 1.18632e-16 223 63.546 0.0485176 -3.54656 63.546000 Cu 0.0803363 0.0272148 0 226 63.546 0.739086 -3.44236 63.546000 Cu 0.190224 0.0484443 0 227 63.546 0.106501 -3.50633 63.546000 Cu 0.166403 0.0216904 0.5 228 63.546 0.514806 -3.4794 63.546000 Cu 0.0979546 0.0528385 0.5 229 63.546 0.0895382 -3.51811 63.546000 Cu 0.261645 0.0200345 0 230 63.546 0.553688 -3.50738 63.546000 Cu 0.382944 0.0397572 8.24535e-17 231 63.546 0.0947069 -3.52001 63.546000 Cu 0.367818 0.0166917 0.5 232 63.546 3.75135 -3.47241 63.546000 Cu 0.284389 0.0437768 0.5 233 63.546 0.127197 -3.54831 63.546000 Cu 0.465559 0.0116344 3.01688e-17 234 63.546 9.0698 -3.31787 63.546000 Cu 0.485745 0.0341263 0.5 237 63.546 0.680118 -3.46832 63.546000 Cu 0.501989 0.0577532 1.23199e-16 255 63.546 0.0485176 -3.54656 63.546000 Cu 0.666403 0.0216904 0.5 213 63.546 0.514806 -3.4794 63.546000 Cu 0.690224 0.0484443 9.61557e-18 218 63.546 0.106501 -3.50633 63.546000 Cu 0.580336 0.0272148 1.99523e-17 235 63.546 0.739086 -3.44236 63.546000 Cu 0.597955 0.0528385 0.5 257 63.546 0.0895382 -3.51811 63.546000 Cu 0.761645 0.0200345 4.20681e-17 212 63.546 0.553688 -3.50738 63.546000 Cu 0.965559 0.0116344 1 214 63.546 9.0698 -3.31787 63.546000 Cu 0.867818 0.0166917 0.5 215 63.546 3.75135 -3.47241 63.546000 Cu 0.784389 0.0437768 0.5 220 63.546 0.127197 -3.54831 63.546000 Cu 0.882944 0.0397572 0 222 63.546 0.0947069 -3.52001 63.546000 Cu 0.985745 0.0341263 0.5 224 63.546 0.680118 -3.46832 63.546000 Cu 0.0383072 0.106106 3.76209e-17 244 63.546 0.000721392 -3.53805 63.546000 Cu 0.0196576 0.0818889 0.5 245 63.546 0.00449143 -3.54162 63.546000 Cu 0.115321 0.0774426 1.01564e-16 247 63.546 0.00964923 -3.53065 63.546000 Cu 0.230505 0.0967555 0 248 63.546 0.00250423 -3.53481 63.546000 Cu 0.210972 0.072818 0.5 249 63.546 0.0171833 -3.52622 63.546000 Cu 0.134268 0.101477 0.5 250 63.546 0.00197278 -3.5369 63.546000 Cu 0.306497 0.0679965 0 251 63.546 0.0136602 -3.53299 63.546000 Cu 0.423563 0.0866669 4.90394e-17 252 63.546 0.00787843 -3.54296 63.546000 Cu 0.403905 0.0628013 0.5 253 63.546 0.0230622 -3.54433 63.546000 Cu 0.327127 0.091761 0.5 254 63.546 0.0016799 -3.53885 63.546000 Cu 0.346519 0.115655 9.01459e-17 273 63.546 0.00148302 -3.54127 63.546000 Cu 0.442581 0.110787 0.5 275 63.546 0.00132542 -3.54063 63.546000 Cu 0.710972 0.072818 0.5 221 63.546 0.0171833 -3.52622 63.546000 Cu 0.730505 0.0967555 1.09738e-16 239 63.546 0.00250423 -3.53481 63.546000 Cu 0.615321 0.0774426 2.35581e-17 256 63.546 0.00964923 -3.53065 63.546000 Cu 0.519658 0.0818889 0.5 258 63.546 0.00449143 -3.54162 63.546000 Cu 0.538307 0.106106 2.88467e-18 277 63.546 0.000721392 -3.53805 63.546000 Cu 0.634268 0.101477 0.5 278 63.546 0.00197278 -3.5369 63.546000 Cu 0.806497 0.0679965 0 219 63.546 0.0136602 -3.53299 63.546000 Cu 0.903905 0.0628013 0.5 225 63.546 0.0230622 -3.54433 63.546000 Cu 0.846519 0.115655 6.06983e-17 240 63.546 0.00148302 -3.54127 63.546000 Cu 0.827127 0.091761 0.5 241 63.546 0.0016799 -3.53885 63.546000 Cu 0.923563 0.0866669 3.25727e-17 243 63.546 0.00787843 -3.54296 63.546000 Cu 0.942581 0.110787 0.5 246 63.546 0.00132542 -3.54063 63.546000 Cu 0.0767317 0.154187 1.04569e-17 266 63.546 0.00026465 -3.5392 63.546000 Cu 0.0574769 0.130187 0.5 267 63.546 0.000515103 -3.53871 63.546000 Cu 0.153581 0.125448 3.38949e-17 269 63.546 0.000828282 -3.53923 63.546000 Cu 0.172998 0.149367 0.5 272 63.546 7.01363e-05 -3.54015 63.546000 Cu 0.192287 0.173314 0 290 63.546 4.67602e-05 -3.54064 63.546000 Cu 0.250058 0.120594 0.5 271 63.546 0.000231171 -3.54062 63.546000 Cu 0.269362 0.144503 1.20195e-19 270 63.546 0.000321234 -3.5411 63.546000 Cu 0.461558 0.134903 9.07469e-17 274 63.546 0.000107537 -3.53921 63.546000 Cu 0.365587 0.139665 0.5 276 63.546 0.000468959 -3.54059 63.546000 Cu 0.288517 0.168487 0.5 292 63.546 0.000145719 -3.54067 63.546000 Cu 0.384609 0.163703 0 294 63.546 3.68773e-05 -3.53978 63.546000 Cu 0.480634 0.158952 0.5 296 63.546 0.00013417 -3.53923 63.546000 Cu 0.653581 0.125448 8.82228e-17 238 63.546 0.000828282 -3.53923 63.546000 Cu 0.692287 0.173314 1.05891e-16 259 63.546 4.67602e-05 -3.54064 63.546000 Cu 0.672998 0.149367 0.5 260 63.546 7.01363e-05 -3.54015 63.546000 Cu 0.557477 0.130187 0.5 279 63.546 0.000515103 -3.53871 63.546000 Cu 0.576732 0.154187 1 298 63.546 0.00026465 -3.5392 63.546000 Cu 0.750058 0.120594 0.5 242 63.546 0.000231171 -3.54062 63.546000 Cu 0.769362 0.144503 3.47362e-17 261 63.546 0.000321234 -3.5411 63.546000 Cu 0.884609 0.163703 4.92798e-17 262 63.546 3.68773e-05 -3.53978 63.546000 Cu 0.865587 0.139665 0.5 263 63.546 0.000468959 -3.54059 63.546000 Cu 0.788517 0.168487 0.5 264 63.546 0.000145719 -3.54067 63.546000 Cu 0.961558 0.134903 0 265 63.546 0.000107537 -3.53921 63.546000 Cu 0.980634 0.158952 0.5 268 63.546 0.00013417 -3.53923 63.546000 Cu 0.115325 0.202101 0 287 63.546 9.16242e-06 -3.53996 63.546000 Cu 0.0960322 0.178144 0.5 288 63.546 2.71458e-05 -3.54011 63.546000 Cu 0.019115 0.20691 0.5 289 63.546 1.91379e-05 -3.53964 63.546000 Cu 0.211522 0.197287 0.5 293 63.546 4.18604e-05 -3.54 63.546000 Cu 0.0384178 0.230863 1.13464e-16 308 63.546 6.37944e-06 -3.53991 63.546000 Cu 0.134589 0.226058 0.5 310 63.546 2.14128e-05 -3.53986 63.546000 Cu 0.230738 0.221264 7.21168e-18 312 63.546 1.3898e-05 -3.5397 63.546000 Cu 0.307632 0.192492 0 291 63.546 2.33654e-05 -3.53982 63.546000 Cu 0.499817 0.182948 9.61557e-19 295 63.546 0.000117934 -3.53959 63.546000 Cu 0.403717 0.187718 0.5 297 63.546 4.18082e-05 -3.53953 63.546000 Cu 0.326839 0.216484 0.5 314 63.546 7.01851e-06 -3.53948 63.546000 Cu 0.422948 0.211704 7.1035e-17 316 63.546 3.60946e-05 -3.53946 63.546000 Cu 0.730738 0.221264 6.97129e-18 280 63.546 1.3898e-05 -3.5397 63.546000 Cu 0.711522 0.197287 0.5 281 63.546 4.18604e-05 -3.54 63.546000 Cu 0.596032 0.178144 0.5 299 63.546 2.71458e-05 -3.54011 63.546000 Cu 0.538418 0.230863 5.16837e-17 317 63.546 6.37944e-06 -3.53991 63.546000 Cu 0.519115 0.20691 0.5 318 63.546 1.91379e-05 -3.53964 63.546000 Cu 0.615325 0.202101 2.06735e-17 320 63.546 9.16242e-06 -3.53996 63.546000 Cu 0.634589 0.226058 0.5 321 63.546 2.14128e-05 -3.53986 63.546000 Cu 0.999817 0.182948 8.42564e-17 286 63.546 0.000117934 -3.53959 63.546000 Cu 0.807632 0.192492 7.46408e-17 282 63.546 2.33654e-05 -3.53982 63.546000 Cu 0.922948 0.211704 1.71878e-17 283 63.546 3.60946e-05 -3.53946 63.546000 Cu 0.903717 0.187718 0.5 284 63.546 4.18082e-05 -3.53953 63.546000 Cu 0.826839 0.216484 0.5 285 63.546 7.01851e-06 -3.53948 63.546000 Cu 0.153858 0.250036 0 309 63.546 1.01005e-05 -3.54015 63.546000 Cu 0.0577054 0.254832 0.5 311 63.546 6.54253e-06 -3.54026 63.546000 Cu 0.249977 0.24525 0.5 315 63.546 4.04336e-07 -3.54006 63.546000 Cu 0.0769936 0.278804 2.29572e-17 330 63.546 2.25914e-05 -3.53943 63.546000 Cu 0.17312 0.27402 0.5 332 63.546 8.18239e-06 -3.53967 63.546000 Cu 0.346103 0.240464 4.45922e-17 313 63.546 7.43771e-06 -3.53997 63.546000 Cu 0.442243 0.235669 0.5 319 63.546 8.58259e-06 -3.53992 63.546000 Cu 0.269227 0.26924 3.84623e-18 334 63.546 1.28814e-05 -3.53992 63.546000 Cu 0.384628 0.288408 3.60584e-19 335 63.546 1.48213e-05 -3.5398 63.546000 Cu 0.365361 0.264447 0.5 336 63.546 2.25271e-05 -3.54018 63.546000 Cu 0.28844 0.29322 0.5 337 63.546 4.71325e-05 -3.54002 63.546000 Cu 0.461528 0.259639 1.56253e-18 338 63.546 3.90955e-06 -3.54025 63.546000 Cu 0.480843 0.283598 0.5 341 63.546 1.44209e-05 -3.53952 63.546000 Cu 0.653858 0.250036 1 300 63.546 1.01005e-05 -3.54015 63.546000 Cu 0.67312 0.27402 0.5 303 63.546 8.18239e-06 -3.53967 63.546000 Cu 0.576994 0.278804 4.39912e-17 339 63.546 2.25914e-05 -3.53943 63.546000 Cu 0.557705 0.254832 0.5 340 63.546 6.54253e-06 -3.54026 63.546000 Cu 0.749977 0.24525 0.5 302 63.546 4.04336e-07 -3.54006 63.546000 Cu 0.769227 0.26924 0 301 63.546 1.28814e-05 -3.53992 63.546000 Cu 0.846103 0.240464 1.03007e-16 304 63.546 7.43771e-06 -3.53997 63.546000 Cu 0.961528 0.259639 0 305 63.546 3.90955e-06 -3.54025 63.546000 Cu 0.942243 0.235669 0.5 306 63.546 8.58259e-06 -3.53992 63.546000 Cu 0.865361 0.264447 0.5 307 63.546 2.25271e-05 -3.54018 63.546000 Cu 0.78844 0.29322 0.5 324 63.546 4.71325e-05 -3.54002 63.546000 Cu 0.884628 0.288408 0 326 63.546 1.48213e-05 -3.5398 63.546000 Cu 0.980843 0.283598 0.5 328 63.546 1.44209e-05 -3.53952 63.546000 Cu 0.000134102 0.307546 2.2837e-17 327 63.546 0.000135634 -3.53917 63.546000 Cu 0.192323 0.298013 0 331 63.546 2.34513e-05 -3.53976 63.546000 Cu 0.0962664 0.302777 0.5 333 63.546 8.40822e-05 -3.5393 63.546000 Cu 0.0193472 0.33154 0.5 349 63.546 0.000180536 -3.53941 63.546000 Cu 0.115377 0.326794 0 351 63.546 4.29802e-05 -3.53988 63.546000 Cu 0.230604 0.345996 0 352 63.546 0.000310692 -3.54107 63.546000 Cu 0.211465 0.322018 0.5 353 63.546 0.000171601 -3.54036 63.546000 Cu 0.134387 0.35084 0.5 354 63.546 0.000521538 -3.54075 63.546000 Cu 0.307679 0.317189 1.238e-17 355 63.546 6.04179e-05 -3.54031 63.546000 Cu 0.423266 0.336301 0 356 63.546 0.000382488 -3.53958 63.546000 Cu 0.403924 0.312352 0.5 357 63.546 3.62408e-05 -3.53962 63.546000 Cu 0.326949 0.34113 0.5 358 63.546 7.07314e-05 -3.54042 63.546000 Cu 0.500134 0.307546 1 359 63.546 0.000135634 -3.53917 63.546000 Cu 0.692323 0.298013 4.98808e-17 322 63.546 2.34513e-05 -3.53976 63.546000 Cu 0.711465 0.322018 0.5 325 63.546 0.000171601 -3.54036 63.546000 Cu 0.730604 0.345996 0 343 63.546 0.000310692 -3.54107 63.546000 Cu 0.615377 0.326794 0 360 63.546 4.29802e-05 -3.53988 63.546000 Cu 0.596266 0.302777 0.5 361 63.546 8.40822e-05 -3.5393 63.546000 Cu 0.519347 0.33154 0.5 362 63.546 0.000180536 -3.53941 63.546000 Cu 0.634387 0.35084 0.5 382 63.546 0.000521538 -3.54075 63.546000 Cu 0.807679 0.317189 6.58666e-17 323 63.546 6.04179e-05 -3.54031 63.546000 Cu 0.903924 0.312352 0.5 329 63.546 3.62408e-05 -3.53962 63.546000 Cu 0.826949 0.34113 0.5 345 63.546 7.07314e-05 -3.54042 63.546000 Cu 0.923266 0.336301 0 347 63.546 0.000382488 -3.53958 63.546000 Cu 0.0384488 0.355598 1.00963e-16 348 63.546 0.000110897 -3.5394 63.546000 Cu 0.0764256 0.403842 3.16112e-17 370 63.546 0.00790818 -3.54288 63.546000 Cu 0.057402 0.379726 0.5 371 63.546 0.00142445 -3.5405 63.546000 Cu 0.153471 0.374859 0 373 63.546 0.00159508 -3.54131 63.546000 Cu 0.249911 0.369916 0.5 375 63.546 0.000267679 -3.54055 63.546000 Cu 0.172862 0.398751 0.5 376 63.546 0.00172057 -3.53859 63.546000 Cu 0.269514 0.393747 1.20195e-19 374 63.546 0.00274248 -3.53473 63.546000 Cu 0.346391 0.365055 1.20195e-19 377 63.546 0.000812562 -3.53925 63.546000 Cu 0.461682 0.384398 0 378 63.546 0.00071792 -3.53804 63.546000 Cu 0.442513 0.360315 0.5 379 63.546 0.000543265 -3.53904 63.546000 Cu 0.365726 0.389022 0.5 380 63.546 0.00216277 -3.53698 63.546000 Cu 0.480346 0.408626 0.5 400 63.546 0.00463677 -3.54154 63.546000 Cu 0.653471 0.374859 1.56253e-17 342 63.546 0.00159508 -3.54131 63.546000 Cu 0.672862 0.398751 0.5 364 63.546 0.00172057 -3.53859 63.546000 Cu 0.538449 0.355598 6.94725e-17 381 63.546 0.000110897 -3.5394 63.546000 Cu 0.557402 0.379726 0.5 383 63.546 0.00142445 -3.5405 63.546000 Cu 0.576426 0.403842 6.27416e-17 402 63.546 0.00790818 -3.54288 63.546000 Cu 0.749911 0.369916 0.5 346 63.546 0.000267679 -3.54055 63.546000 Cu 0.846391 0.365055 1 344 63.546 0.000812562 -3.53925 63.546000 Cu 0.942513 0.360315 0.5 350 63.546 0.000543265 -3.53904 63.546000 Cu 0.769514 0.393747 0 365 63.546 0.00274248 -3.53473 63.546000 Cu 0.865726 0.389022 0.5 367 63.546 0.00216277 -3.53698 63.546000 Cu 0.961682 0.384398 5.58905e-17 369 63.546 0.00071792 -3.53804 63.546000 Cu 0.980346 0.408626 0.5 372 63.546 0.00463677 -3.54154 63.546000 Cu 0.117062 0.450757 6.37031e-18 391 63.546 0.0946629 -3.52057 63.546000 Cu 0.096099 0.427711 0.5 392 63.546 0.0231312 -3.54452 63.546000 Cu 0.0142379 0.4564 0.5 393 63.546 0.681606 -3.46823 63.546000 Cu 0.193522 0.422508 2.42793e-17 394 63.546 0.0140656 -3.53286 63.546000 Cu 0.215608 0.446728 0.5 397 63.546 0.126003 -3.54864 63.546000 Cu 0.238321 0.470481 0 411 63.546 0.549701 -3.50683 63.546000 Cu 0.41968 0.463325 1.20195e-19 201 63.546 0.737433 -3.44179 63.546000 Cu 0.333604 0.468822 0.5 208 63.546 0.51274 -3.47974 63.546000 Cu 0.309814 0.442079 0 395 63.546 0.105159 -3.50665 63.546000 Cu 0.289017 0.417695 0.5 396 63.546 0.0171946 -3.52648 63.546000 Cu 0.384709 0.413078 1 398 63.546 0.00925238 -3.53092 63.546000 Cu 0.498003 0.432768 0 399 63.546 0.0491572 -3.54651 63.546000 Cu 0.402069 0.437677 0.5 401 63.546 0.0895739 -3.51786 63.546000 Cu 0.617062 0.450757 3.24525e-18 3 63.546 0.0946629 -3.52057 63.546000 Cu 0.514238 0.4564 0.5 9 63.546 0.681606 -3.46823 63.546000 Cu 0.693522 0.422508 1.10098e-16 363 63.546 0.0140656 -3.53286 63.546000 Cu 0.715608 0.446728 0.5 385 63.546 0.126003 -3.54864 63.546000 Cu 0.596099 0.427711 0.5 403 63.546 0.0231312 -3.54452 63.546000 Cu 0.738321 0.470481 1.06492e-16 384 63.546 0.549701 -3.50683 63.546000 Cu 0.998003 0.432768 5.30058e-17 390 63.546 0.0491572 -3.54651 63.546000 Cu 0.884709 0.413078 3.65392e-17 366 63.546 0.00925238 -3.53092 63.546000 Cu 0.789017 0.417695 0.5 368 63.546 0.0171946 -3.52648 63.546000 Cu 0.809814 0.442079 0 386 63.546 0.105159 -3.50665 63.546000 Cu 0.91968 0.463325 0 387 63.546 0.737433 -3.44179 63.546000 Cu 0.902069 0.437677 0.5 388 63.546 0.0895739 -3.51786 63.546000 Cu 0.833604 0.468822 0.5 389 63.546 0.51274 -3.47974 63.546000 Cu 0.0317956 0.510903 9.18287e-17 2 63.546 9.31131 -3.3345 63.546000 Cu 0.237164 0.519821 0 4 63.546 0.52419 -3.50299 63.546000 Cu 0.130447 0.516181 0.5 5 63.546 3.95359 -3.47131 63.546000 Cu 0.248622 0.495145 0.5 207 63.546 1.37411 -3.50402 63.546000 Cu 0.0344684 0.478868 1 408 63.546 9.0778 -3.3172 63.546000 Cu 0.150983 0.495088 1 409 63.546 7.15553 -3.23478 63.546000 Cu 0.132221 0.473835 0.5 410 63.546 3.73799 -3.471 63.546000 Cu 0.332698 0.521566 0.5 6 63.546 0.604817 -3.47631 63.546000 Cu 0.451269 0.494179 0.5 7 63.546 9.11758 -3.56886 63.546000 Cu 0.41877 0.5272 0 8 63.546 1.02867 -3.42409 63.546000 Cu 0.352413 0.49534 0 412 63.546 3.18488 -3.54303 63.546000 Cu 0.632221 0.473835 0.5 1 63.546 3.73799 -3.471 63.546000 Cu 0.531796 0.510903 2.37985e-17 10 63.546 9.31131 -3.3345 63.546000 Cu 0.630447 0.516181 0.5 12 63.546 3.95359 -3.47131 63.546000 Cu 0.737164 0.519821 0 14 63.546 0.52419 -3.50299 63.546000 Cu 0.534468 0.478868 0 199 63.546 9.0778 -3.3172 63.546000 Cu 0.650983 0.495088 1.7308e-16 404 63.546 7.15553 -3.23478 63.546000 Cu 0.748622 0.495145 0.5 405 63.546 1.37411 -3.50402 63.546000 Cu 0.832698 0.521566 0.5 16 63.546 0.604817 -3.47631 63.546000 Cu 0.91877 0.5272 0 18 63.546 1.02867 -3.42409 63.546000 Cu 0.852413 0.49534 1 406 63.546 3.18488 -3.54303 63.546000 Cu 0.951269 0.494179 0.5 407 63.546 9.11758 -3.56886 63.546000 Cu 0.0131942 0.53366 0.5 20 63.546 0.859842 -3.46385 63.546000 Cu 0.115492 0.539214 2.46399e-17 22 63.546 0.0749016 -3.52215 63.546000 Cu 0.192543 0.56753 6.53859e-17 23 63.546 0.00837183 -3.53409 63.546000 Cu 0.214341 0.543377 0.5 24 63.546 0.118343 -3.54858 63.546000 Cu 0.0952971 0.562364 0.5 25 63.546 0.0229624 -3.54438 63.546000 Cu 0.0759901 0.586329 0 42 63.546 0.00580843 -3.54255 63.546000 Cu 0.308795 0.548172 1.0481e-16 26 63.546 0.105651 -3.50591 63.546000 Cu 0.288242 0.572427 0.5 27 63.546 0.0138452 -3.52692 63.546000 Cu 0.3841 0.577115 7.87275e-17 28 63.546 0.00906901 -3.5307 63.546000 Cu 0.401387 0.552608 0.5 29 63.546 0.0797342 -3.51231 63.546000 Cu 0.497412 0.557435 1 30 63.546 0.0349938 -3.54633 63.546000 Cu 0.479937 0.581578 0.5 33 63.546 0.00314591 -3.54156 63.546000 Cu 0.615492 0.539214 1.2957e-16 11 63.546 0.0749016 -3.52215 63.546000 Cu 0.513194 0.53366 0.5 13 63.546 0.859842 -3.46385 63.546000 Cu 0.714341 0.543377 0.5 17 63.546 0.118343 -3.54858 63.546000 Cu 0.57599 0.586329 7.58428e-17 31 63.546 0.00580843 -3.54255 63.546000 Cu 0.595297 0.562364 0.5 32 63.546 0.0229624 -3.54438 63.546000 Cu 0.692543 0.56753 3.99046e-17 34 63.546 0.00837183 -3.53409 63.546000 Cu 0.808795 0.548172 6.98331e-17 15 63.546 0.105651 -3.50591 63.546000 Cu 0.997412 0.557435 3.30535e-17 19 63.546 0.0349938 -3.54633 63.546000 Cu 0.901387 0.552608 0.5 21 63.546 0.0797342 -3.51231 63.546000 Cu 0.788242 0.572427 0.5 36 63.546 0.0138452 -3.52692 63.546000 Cu 0.8841 0.577115 2.40389e-17 38 63.546 0.00906901 -3.5307 63.546000 Cu 0.979937 0.581578 0.5 40 63.546 0.00314591 -3.54156 63.546000 Cu 0.153193 0.615322 3.43757e-17 43 63.546 0.00112242 -3.54092 63.546000 Cu 0.172269 0.591358 0.5 44 63.546 0.00188869 -3.53924 63.546000 Cu 0.0571408 0.610491 0.5 45 63.546 0.000604633 -3.54022 63.546000 Cu 0.249625 0.620219 0.5 47 63.546 0.000224709 -3.54076 63.546000 Cu 0.0383045 0.634623 2.69236e-17 62 63.546 0.000132899 -3.53914 63.546000 Cu 0.134354 0.639381 0.5 64 63.546 0.00021224 -3.54047 63.546000 Cu 0.230529 0.6442 4.25489e-17 66 63.546 0.000245307 -3.54107 63.546000 Cu 0.268873 0.59634 2.68034e-17 46 63.546 0.00121432 -3.53597 63.546000 Cu 0.346075 0.62508 5.13231e-17 48 63.546 0.000316039 -3.53961 63.546000 Cu 0.365293 0.601108 0.5 49 63.546 0.00163826 -3.53753 63.546000 Cu 0.461367 0.60579 1.71878e-17 50 63.546 0.000925367 -3.53823 63.546000 Cu 0.442266 0.629872 0.5 53 63.546 0.000434637 -3.53888 63.546000 Cu 0.672269 0.591358 0.5 37 63.546 0.00188869 -3.53924 63.546000 Cu 0.538305 0.634623 0 51 63.546 0.000132899 -3.53914 63.546000 Cu 0.557141 0.610491 0.5 52 63.546 0.000604633 -3.54022 63.546000 Cu 0.653193 0.615322 2.40389e-19 54 63.546 0.00112242 -3.54092 63.546000 Cu 0.730529 0.6442 4.80778e-19 55 63.546 0.000245307 -3.54107 63.546000 Cu 0.749625 0.620219 0.5 56 63.546 0.000224709 -3.54076 63.546000 Cu 0.634354 0.639381 0.5 57 63.546 0.00021224 -3.54047 63.546000 Cu 0.768873 0.59634 0 35 63.546 0.00121432 -3.53597 63.546000 Cu 0.961367 0.60579 0 39 63.546 0.000925367 -3.53823 63.546000 Cu 0.865293 0.601108 0.5 41 63.546 0.00163826 -3.53753 63.546000 Cu 0.846075 0.62508 0 58 63.546 0.000316039 -3.53961 63.546000 Cu 0.942266 0.629872 0.5 60 63.546 0.000434637 -3.53888 63.546000 Cu 0.115332 0.663463 1 63 63.546 2.27429e-05 -3.53973 63.546000 Cu 0.0192565 0.658685 0.5 65 63.546 0.000113751 -3.53952 63.546000 Cu 0.211412 0.668249 0.5 69 63.546 6.77012e-05 -3.54037 63.546000 Cu 0.0961888 0.687517 0.5 84 63.546 2.03374e-05 -3.53967 63.546000 Cu 0.19231 0.692304 1.80292e-18 86 63.546 1.37659e-05 -3.53975 63.546000 Cu 4.92407e-05 0.682725 9.85596e-18 82 63.546 4.58671e-05 -3.53998 63.546000 Cu 0.307619 0.67307 0 67 63.546 3.25708e-05 -3.54052 63.546000 Cu 0.326809 0.649054 0.5 68 63.546 3.94564e-05 -3.54042 63.546000 Cu 0.423078 0.653888 0 70 63.546 8.30118e-05 -3.53961 63.546000 Cu 0.403838 0.677903 0.5 73 63.546 5.51578e-06 -3.54036 63.546000 Cu 0.288409 0.697102 0.5 88 63.546 3.92145e-05 -3.53992 63.546000 Cu 0.384591 0.701926 0 90 63.546 7.68741e-06 -3.54006 63.546000 Cu 0.500049 0.682725 1.42671e-16 71 63.546 4.58671e-05 -3.53998 63.546000 Cu 0.519256 0.658685 0.5 72 63.546 0.000113751 -3.53952 63.546000 Cu 0.615332 0.663463 3.60584e-19 74 63.546 2.27429e-05 -3.53973 63.546000 Cu 0.69231 0.692304 7.21168e-19 75 63.546 1.37659e-05 -3.53975 63.546000 Cu 0.711412 0.668249 0.5 76 63.546 6.77012e-05 -3.54037 63.546000 Cu 0.596189 0.687517 0.5 77 63.546 2.03374e-05 -3.53967 63.546000 Cu 0.923078 0.653888 0 59 63.546 8.30118e-05 -3.53961 63.546000 Cu 0.826809 0.649054 0.5 61 63.546 3.94564e-05 -3.54042 63.546000 Cu 0.807619 0.67307 1 78 63.546 3.25708e-05 -3.54052 63.546000 Cu 0.884591 0.701926 1 79 63.546 7.68741e-06 -3.54006 63.546000 Cu 0.903838 0.677903 0.5 80 63.546 5.51578e-06 -3.54036 63.546000 Cu 0.788409 0.697102 0.5 81 63.546 3.92145e-05 -3.53992 63.546000 Cu 0.0769839 0.711563 3.11304e-17 83 63.546 2.32208e-05 -3.53986 63.546000 Cu 0.17311 0.71636 0.5 89 63.546 4.59927e-06 -3.53979 63.546000 Cu 0.038507 0.759638 1 103 63.546 3.3614e-06 -3.54039 63.546000 Cu 0.0577416 0.735599 0.5 104 63.546 9.96729e-06 -3.54006 63.546000 Cu 0.153894 0.740408 0 106 63.546 7.96334e-06 -3.54 63.546000 Cu 0.134683 0.764461 0.5 109 63.546 2.61365e-05 -3.54026 63.546000 Cu 0.250025 0.745205 0.5 108 63.546 6.06556e-07 -3.54002 63.546000 Cu 0.269225 0.721151 1 87 63.546 9.22509e-06 -3.53986 63.546000 Cu 0.461553 0.730774 6.00973e-19 91 63.546 5.06543e-06 -3.54006 63.546000 Cu 0.480803 0.706751 0.5 92 63.546 8.59287e-06 -3.53995 63.546000 Cu 0.365375 0.725954 0.5 93 63.546 2.33722e-05 -3.53998 63.546000 Cu 0.346148 0.750001 1 111 63.546 1.39957e-05 -3.54015 63.546000 Cu 0.442313 0.754811 0.5 113 63.546 1.09585e-05 -3.54035 63.546000 Cu 0.576984 0.711563 2.40389e-19 94 63.546 2.32208e-05 -3.53986 63.546000 Cu 0.653894 0.740408 1 95 63.546 7.96334e-06 -3.54 63.546000 Cu 0.67311 0.71636 0.5 96 63.546 4.59927e-06 -3.53979 63.546000 Cu 0.557742 0.735599 0.5 97 63.546 9.96729e-06 -3.54006 63.546000 Cu 0.538507 0.759638 2.40389e-19 114 63.546 3.3614e-06 -3.54039 63.546000 Cu 0.634683 0.764461 0.5 116 63.546 2.61365e-05 -3.54026 63.546000 Cu 0.750025 0.745205 0.5 101 63.546 6.06556e-07 -3.54002 63.546000 Cu 0.980803 0.706751 0.5 85 63.546 8.59287e-06 -3.53995 63.546000 Cu 0.769225 0.721151 1 98 63.546 9.22509e-06 -3.53986 63.546000 Cu 0.846148 0.750001 1 99 63.546 1.39957e-05 -3.54015 63.546000 Cu 0.865375 0.725954 0.5 100 63.546 2.33722e-05 -3.53998 63.546000 Cu 0.961553 0.730774 1 102 63.546 5.06543e-06 -3.54006 63.546000 Cu 0.942313 0.754811 0.5 105 63.546 1.09585e-05 -3.54035 63.546000 Cu 0.230817 0.769264 4.41114e-17 107 63.546 7.6335e-06 -3.54001 63.546000 Cu 0.0192433 0.783669 0.5 124 63.546 8.94782e-06 -3.53993 63.546000 Cu 0.115464 0.788497 2.52409e-18 126 63.546 1.95304e-05 -3.53997 63.546000 Cu 0.19242 0.817355 0 127 63.546 4.82157e-05 -3.54029 63.546000 Cu 0.211637 0.793319 0.5 128 63.546 4.76341e-05 -3.53996 63.546000 Cu 0.0962025 0.812514 0.5 129 63.546 8.74704e-06 -3.53994 63.546000 Cu 4.28025e-06 0.807689 3.60584e-19 123 63.546 5.51399e-05 -3.5396 63.546000 Cu 0.326934 0.774056 0.5 110 63.546 6.27995e-06 -3.53988 63.546000 Cu 0.423071 0.778855 4.80778e-19 112 63.546 1.89615e-05 -3.53985 63.546000 Cu 0.30774 0.798115 1 130 63.546 8.75352e-06 -3.53971 63.546000 Cu 0.288607 0.82218 0.5 131 63.546 9.05032e-05 -3.54023 63.546000 Cu 0.403836 0.802894 0.5 133 63.546 5.18418e-05 -3.53953 63.546000 Cu 0.500004 0.807689 5.30058e-17 134 63.546 5.51399e-05 -3.5396 63.546000 Cu 0.615464 0.788497 0 115 63.546 1.95304e-05 -3.53997 63.546000 Cu 0.519243 0.783669 0.5 117 63.546 8.94782e-06 -3.53993 63.546000 Cu 0.730817 0.769264 0 118 63.546 7.6335e-06 -3.54001 63.546000 Cu 0.711637 0.793319 0.5 121 63.546 4.76341e-05 -3.53996 63.546000 Cu 0.596203 0.812514 0.5 136 63.546 8.74704e-06 -3.53994 63.546000 Cu 0.69242 0.817355 0 138 63.546 4.82157e-05 -3.54029 63.546000 Cu 0.80774 0.798115 2.40389e-19 119 63.546 8.75352e-06 -3.53971 63.546000 Cu 0.826934 0.774056 0.5 120 63.546 6.27995e-06 -3.53988 63.546000 Cu 0.923071 0.778855 7.21168e-19 122 63.546 1.89615e-05 -3.53985 63.546000 Cu 0.903836 0.802894 0.5 125 63.546 5.18418e-05 -3.53953 63.546000 Cu 0.788607 0.82218 0.5 140 63.546 9.05032e-05 -3.54023 63.546000 Cu 0.0769338 0.836528 1 146 63.546 0.000136012 -3.53977 63.546000 Cu 0.15395 0.865359 0 147 63.546 0.000329884 -3.53962 63.546000 Cu 0.173227 0.841373 0.5 148 63.546 2.84898e-05 -3.54046 63.546000 Cu 0.0577512 0.860563 0.5 149 63.546 0.000479711 -3.53918 63.546000 Cu 0.250398 0.870229 0.5 151 63.546 0.000251016 -3.5408 63.546000 Cu 0.384694 0.82696 6.28618e-17 132 63.546 2.90523e-05 -3.5399 63.546000 Cu 0.480776 0.83173 0.5 137 63.546 0.00015231 -3.53957 63.546000 Cu 0.269497 0.84623 0 150 63.546 0.000216102 -3.54103 63.546000 Cu 0.346814 0.875131 0 152 63.546 0.00114497 -3.54101 63.546000 Cu 0.365686 0.851056 0.5 153 63.546 0.00024545 -3.54065 63.546000 Cu 0.4617 0.855812 0 154 63.546 0.000153557 -3.53938 63.546000 Cu 0.442883 0.879966 0.5 157 63.546 0.000672717 -3.54026 63.546000 Cu 0.576934 0.836528 7.51216e-17 135 63.546 0.000136012 -3.53977 63.546000 Cu 0.673227 0.841373 0.5 141 63.546 2.84898e-05 -3.54046 63.546000 Cu 0.557751 0.860563 0.5 156 63.546 0.000479711 -3.53918 63.546000 Cu 0.65395 0.865359 6.87513e-17 158 63.546 0.000329884 -3.53962 63.546000 Cu 0.750398 0.870229 0.5 160 63.546 0.000251016 -3.5408 63.546000 Cu 0.769497 0.84623 1 139 63.546 0.000216102 -3.54103 63.546000 Cu 0.884694 0.82696 1.20195e-19 142 63.546 2.90523e-05 -3.5399 63.546000 Cu 0.9617 0.855812 1.238e-17 143 63.546 0.000153557 -3.53938 63.546000 Cu 0.980776 0.83173 0.5 144 63.546 0.00015231 -3.53957 63.546000 Cu 0.865686 0.851056 0.5 145 63.546 0.00024545 -3.54065 63.546000 Cu 0.846814 0.875131 3.01688e-17 162 63.546 0.00114497 -3.54101 63.546000 Cu 0.942883 0.879966 0.5 164 63.546 0.000672717 -3.54026 63.546000 Cu 0.038657 0.884662 3.65392e-17 166 63.546 0.000870083 -3.53827 63.546000 Cu 0.115889 0.913359 2.1635e-17 167 63.546 0.00874178 -3.53116 63.546000 Cu 0.134718 0.889339 0.5 168 63.546 0.00177545 -3.53776 63.546000 Cu 0.0200598 0.908893 0.5 169 63.546 0.00326265 -3.54137 63.546000 Cu 0.231142 0.894116 3.71401e-17 170 63.546 0.0012695 -3.53594 63.546000 Cu 0.211791 0.91805 0.5 173 63.546 0.0137427 -3.52733 63.546000 Cu 0.0985797 0.937868 0.5 188 63.546 0.0800131 -3.51235 63.546000 Cu 0.00255385 0.933047 7.45206e-18 186 63.546 0.0349675 -3.54612 63.546000 Cu 0.307443 0.922939 0 171 63.546 0.00871157 -3.53396 63.546000 Cu 0.32774 0.899108 0.5 172 63.546 0.00191351 -3.53881 63.546000 Cu 0.424015 0.904134 1.6707e-17 174 63.546 0.00569463 -3.54243 63.546000 Cu 0.404678 0.928112 0.5 177 63.546 0.022797 -3.54436 63.546000 Cu 0.502554 0.933047 0 175 63.546 0.0349675 -3.54612 63.546000 Cu 0.538657 0.884662 3.72603e-17 155 63.546 0.000870083 -3.53827 63.546000 Cu 0.731142 0.894116 0 159 63.546 0.0012695 -3.53594 63.546000 Cu 0.634718 0.889339 0.5 161 63.546 0.00177545 -3.53776 63.546000 Cu 0.52006 0.908893 0.5 176 63.546 0.00326265 -3.54137 63.546000 Cu 0.615889 0.913359 2.30774e-17 178 63.546 0.00874178 -3.53116 63.546000 Cu 0.711791 0.91805 0.5 180 63.546 0.0137427 -3.52733 63.546000 Cu 0.59858 0.937868 0.5 181 63.546 0.0800131 -3.51235 63.546000 Cu 0.924015 0.904134 8.38958e-17 163 63.546 0.00569463 -3.54243 63.546000 Cu 0.82774 0.899108 0.5 165 63.546 0.00191351 -3.53881 63.546000 Cu 0.807443 0.922939 1.11781e-17 182 63.546 0.00871157 -3.53396 63.546000 Cu 0.904678 0.928112 0.5 184 63.546 0.022797 -3.54436 63.546000 Cu 0.147562 0.995158 2.48803e-17 216 63.546 3.19271 -3.54263 63.546000 Cu 0.0487257 0.996348 0.5 217 63.546 9.11813 -3.56802 63.546000 Cu 0.0812423 0.963303 3.10102e-17 187 63.546 1.03158 -3.42364 63.546000 Cu 0.191184 0.942328 1.28248e-16 190 63.546 0.103777 -3.50606 63.546000 Cu 0.167272 0.968934 0.5 193 63.546 0.607081 -3.4758 63.546000 Cu 0.251359 0.995371 0.5 209 63.546 1.37484 -3.5043 63.546000 Cu 0.26283 0.970678 0 191 63.546 0.524069 -3.50263 63.546000 Cu 0.285654 0.947112 0.5 192 63.546 0.117637 -3.54872 63.546000 Cu 0.38448 0.951278 3.65392e-17 194 63.546 0.0746943 -3.52288 63.546000 Cu 0.468182 0.979601 8.96652e-17 195 63.546 9.32037 -3.33414 63.546000 Cu 0.486764 0.956831 0.5 196 63.546 0.860829 -3.46449 63.546000 Cu 0.369502 0.974333 0.5 197 63.546 3.94261 -3.46983 63.546000 Cu 0.349051 0.995388 1 210 63.546 7.13881 -3.23542 63.546000 Cu 0.647562 0.995158 0 211 63.546 3.19271 -3.54263 63.546000 Cu 0.548726 0.996348 0.5 236 63.546 9.11813 -3.56802 63.546000 Cu 0.691184 0.942328 4.25489e-17 179 63.546 0.103777 -3.50606 63.546000 Cu 0.581242 0.963303 0 198 63.546 1.03158 -3.42364 63.546000 Cu 0.667272 0.968934 0.5 200 63.546 0.607081 -3.4758 63.546000 Cu 0.751359 0.995371 0.5 205 63.546 1.37484 -3.5043 63.546000 Cu 0.88448 0.951278 0 183 63.546 0.0746943 -3.52288 63.546000 Cu 0.785654 0.947112 0.5 185 63.546 0.117637 -3.54872 63.546000 Cu 0.986764 0.956831 0.5 189 63.546 0.860829 -3.46449 63.546000 Cu 0.76283 0.970678 4.84384e-17 202 63.546 0.524069 -3.50263 63.546000 Cu 0.849051 0.995388 1 203 63.546 7.13881 -3.23542 63.546000 Cu 0.869502 0.974333 0.5 204 63.546 3.94261 -3.46983 63.546000 Cu 0.968182 0.979601 0 206 63.546 9.32037 -3.33414