Number of particles = 460 A = 1 Angstrom (basic length-scale) H0(1,1) = 19.4136 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 77.8727 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61234 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 0.065341 0.0386205 2.33267e-16 245 63.546 0.0880373 -3.5016 63.546000 Cu 0.0329644 0.0157027 0.5 246 63.546 1.93831 -3.4793 63.546000 Cu 0.120622 0.0102909 5.09935e-16 248 63.546 9.09625 -3.3357 63.546000 Cu 0.237581 0.0228318 7.54248e-16 249 63.546 0.890198 -3.42114 63.546000 Cu 0.15346 0.0301665 0.5 251 63.546 0.248148 -3.49247 63.546000 Cu 0.329145 0.012439 0.5 253 63.546 2.1185 -3.43099 63.546000 Cu 0.0149021 0.0684782 1 261 63.546 0.00596065 -3.53217 63.546000 Cu 0.100739 0.0600855 0.5 263 63.546 0.00916783 -3.54116 63.546000 Cu 0.186752 0.0518526 5.07834e-16 265 63.546 0.0394132 -3.51711 63.546000 Cu 0.309633 0.0637229 2.71325e-16 266 63.546 0.0237821 -3.54503 63.546000 Cu 0.275305 0.0427975 0.5 267 63.546 0.0409757 -3.51731 63.546000 Cu 0.362402 0.0325958 1.18867e-15 269 63.546 0.39684 -3.50416 63.546000 Cu 0.480734 0.0463075 1.55832e-16 270 63.546 0.011912 -3.53126 63.546000 Cu 0.446741 0.0239157 0.5 271 63.546 0.519542 -3.48865 63.546000 Cu 0.395706 0.0548859 0.5 272 63.546 0.0194015 -3.52971 63.546000 Cu 0.532964 0.0157027 1.81103e-16 273 63.546 1.93831 -3.4793 63.546000 Cu 0.65346 0.0301665 1.20055e-19 274 63.546 0.248148 -3.49247 63.546000 Cu 0.620622 0.0102909 0.5 275 63.546 9.09625 -3.3357 63.546000 Cu 0.565341 0.0386205 0.5 276 63.546 0.0880373 -3.5016 63.546000 Cu 0.514902 0.0684782 0.5 295 63.546 0.00596065 -3.53217 63.546000 Cu 0.600739 0.0600855 1 297 63.546 0.00916783 -3.54116 63.546000 Cu 0.829145 0.012439 1 236 63.546 2.1185 -3.43099 63.546000 Cu 0.737581 0.0228318 0.5 237 63.546 0.890198 -3.42114 63.546000 Cu 0.775305 0.0427975 1 240 63.546 0.0409757 -3.51731 63.546000 Cu 0.895706 0.0548859 1 241 63.546 0.0194015 -3.52971 63.546000 Cu 0.862402 0.0325958 0.5 242 63.546 0.39684 -3.50416 63.546000 Cu 0.809633 0.0637229 0.5 243 63.546 0.0237821 -3.54503 63.546000 Cu 0.946741 0.0239157 1 244 63.546 0.519542 -3.48865 63.546000 Cu 0.980734 0.0463075 0.5 247 63.546 0.011912 -3.53126 63.546000 Cu 0.686752 0.0518526 0.5 298 63.546 0.0394132 -3.51711 63.546000 Cu 0.135798 0.081674 2.74146e-16 262 63.546 0.00521718 -3.53655 63.546000 Cu 0.0497173 0.0901799 0.5 264 63.546 0.00211008 -3.53885 63.546000 Cu 0.222621 0.0728719 0.5 268 63.546 0.00476307 -3.54036 63.546000 Cu 0.0333627 0.141956 4.60412e-17 282 63.546 0.000269159 -3.53934 63.546000 Cu 0.0846703 0.111774 8.9021e-17 285 63.546 0.00109902 -3.53858 63.546000 Cu 0.20587 0.124567 3.01339e-17 286 63.546 0.000343999 -3.54055 63.546000 Cu 0.171002 0.103072 0.5 287 63.546 0.000660077 -3.53985 63.546000 Cu 0.119604 0.133301 0.5 288 63.546 0.000197856 -3.53964 63.546000 Cu 0.257447 0.0942168 1.76061e-16 289 63.546 0.00264608 -3.54221 63.546000 Cu 0.292048 0.115822 0.5 292 63.546 0.000930688 -3.54046 63.546000 Cu 0.32662 0.137487 1.3044e-16 314 63.546 0.000229387 -3.53979 63.546000 Cu 0.378008 0.107166 3.01339e-17 290 63.546 0.000604865 -3.54009 63.546000 Cu 0.343647 0.0854107 0.5 291 63.546 0.0040661 -3.54082 63.546000 Cu 0.42949 0.0767984 1.42626e-16 293 63.546 0.00219494 -3.53856 63.546000 Cu 0.549717 0.0901799 1.23777e-16 294 63.546 0.00211008 -3.53885 63.546000 Cu 0.463833 0.0986464 0.5 296 63.546 0.000730311 -3.53841 63.546000 Cu 0.635798 0.081674 0.5 299 63.546 0.00521718 -3.53655 63.546000 Cu 0.412562 0.128889 0.5 316 63.546 0.000122719 -3.53934 63.546000 Cu 0.498585 0.120341 1 318 63.546 0.000467671 -3.53925 63.546000 Cu 0.619604 0.133301 1 319 63.546 0.000197856 -3.53964 63.546000 Cu 0.58467 0.111774 0.5 320 63.546 0.00109902 -3.53858 63.546000 Cu 0.533363 0.141956 0.5 321 63.546 0.000269159 -3.53934 63.546000 Cu 0.671002 0.103072 3.01339e-17 322 63.546 0.000660077 -3.53985 63.546000 Cu 0.722621 0.0728719 1 239 63.546 0.00476307 -3.54036 63.546000 Cu 0.792048 0.115822 1 254 63.546 0.000930688 -3.54046 63.546000 Cu 0.757447 0.0942168 0.5 255 63.546 0.00264608 -3.54221 63.546000 Cu 0.70587 0.124567 0.5 256 63.546 0.000343999 -3.54055 63.546000 Cu 0.843647 0.0854107 1 257 63.546 0.0040661 -3.54082 63.546000 Cu 0.963833 0.0986464 1 258 63.546 0.000730311 -3.53841 63.546000 Cu 0.92949 0.0767984 0.5 259 63.546 0.00219494 -3.53856 63.546000 Cu 0.878008 0.107166 0.5 260 63.546 0.000604865 -3.54009 63.546000 Cu 0.82662 0.137487 0.5 279 63.546 0.000229387 -3.53979 63.546000 Cu 0.912562 0.128889 1.20055e-19 281 63.546 0.000122719 -3.53934 63.546000 Cu 0.998585 0.120341 0.5 283 63.546 0.000467671 -3.53925 63.546000 Cu 0.102644 0.185123 1.84105e-16 307 63.546 2.79117e-05 -3.53984 63.546000 Cu 0.0680906 0.163539 0.5 308 63.546 8.64596e-05 -3.53952 63.546000 Cu 0.0163925 0.193792 0.5 309 63.546 3.86085e-05 -3.53967 63.546000 Cu 0.15432 0.154854 4.92227e-18 310 63.546 7.78158e-05 -3.53996 63.546000 Cu 0.275096 0.167789 3.01339e-17 311 63.546 0.000106017 -3.54014 63.546000 Cu 0.240533 0.146155 0.5 312 63.546 0.000232892 -3.54026 63.546000 Cu 0.188867 0.176452 0.5 313 63.546 3.86592e-05 -3.54002 63.546000 Cu 0.137118 0.206736 0.5 333 63.546 1.46839e-05 -3.53988 63.546000 Cu 0.223344 0.198069 1.78582e-16 335 63.546 2.5274e-05 -3.53983 63.546000 Cu 0.309555 0.189427 0.5 337 63.546 2.07735e-05 -3.53967 63.546000 Cu 0.447263 0.150559 1 315 63.546 0.000121158 -3.53942 63.546000 Cu 0.361198 0.159158 0.5 317 63.546 5.14325e-05 -3.53964 63.546000 Cu 0.343976 0.211062 1.05048e-17 336 63.546 2.5276e-06 -3.5395 63.546000 Cu 0.395736 0.180807 1 339 63.546 5.27475e-05 -3.53939 63.546000 Cu 0.516392 0.193792 2.03494e-16 340 63.546 3.86085e-05 -3.53967 63.546000 Cu 0.481879 0.172181 0.5 341 63.546 8.77273e-05 -3.53944 63.546000 Cu 0.430136 0.202429 0.5 342 63.546 2.57949e-05 -3.53935 63.546000 Cu 0.568091 0.163539 3.01339e-17 343 63.546 8.64596e-05 -3.53952 63.546000 Cu 0.65432 0.154854 0.5 345 63.546 7.78158e-05 -3.53996 63.546000 Cu 0.602644 0.185123 0.5 346 63.546 2.79117e-05 -3.53984 63.546000 Cu 0.637118 0.206736 2.07696e-17 368 63.546 1.46839e-05 -3.53988 63.546000 Cu 0.740533 0.146155 1 277 63.546 0.000232892 -3.54026 63.546000 Cu 0.861198 0.159158 1 278 63.546 5.14325e-05 -3.53964 63.546000 Cu 0.775096 0.167789 0.5 280 63.546 0.000106017 -3.54014 63.546000 Cu 0.947263 0.150559 0.5 284 63.546 0.000121158 -3.53942 63.546000 Cu 0.723344 0.198069 0.5 301 63.546 2.5274e-05 -3.53983 63.546000 Cu 0.809555 0.189427 1.15433e-16 302 63.546 2.07735e-05 -3.53967 63.546000 Cu 0.930136 0.202429 3.11904e-16 303 63.546 2.57949e-05 -3.53935 63.546000 Cu 0.895736 0.180807 0.5 304 63.546 5.27475e-05 -3.53939 63.546000 Cu 0.843976 0.211062 0.5 305 63.546 2.5276e-06 -3.5395 63.546000 Cu 0.981879 0.172181 1.17654e-17 306 63.546 8.77273e-05 -3.53944 63.546000 Cu 0.688867 0.176452 4.45405e-17 344 63.546 3.86592e-05 -3.54002 63.546000 Cu 0.0508077 0.215391 1 331 63.546 3.07036e-05 -3.53985 63.546000 Cu 0.171566 0.228336 1 332 63.546 6.83684e-05 -3.53988 63.546000 Cu 0.0853333 0.237004 0.5 334 63.546 2.98585e-05 -3.53996 63.546000 Cu 0.257812 0.219698 0.5 338 63.546 2.18944e-05 -3.5397 63.546000 Cu 0.0337608 0.267264 0.5 354 63.546 3.86943e-05 -3.53978 63.546000 Cu 0.119976 0.258612 1.84885e-17 356 63.546 4.08838e-05 -3.53967 63.546000 Cu 0.240708 0.271607 1 357 63.546 1.05658e-05 -3.53956 63.546000 Cu 0.206108 0.249974 0.5 358 63.546 2.4242e-05 -3.5397 63.546000 Cu 0.15459 0.280239 0.5 359 63.546 4.034e-05 -3.53962 63.546000 Cu 0.29223 0.241333 1 360 63.546 4.38789e-05 -3.53966 63.546000 Cu 0.326811 0.262974 0.5 363 63.546 3.34677e-05 -3.53963 63.546000 Cu 0.41291 0.254316 1.16454e-16 361 63.546 7.72036e-05 -3.53974 63.546000 Cu 0.378403 0.2327 0.5 362 63.546 3.68445e-05 -3.53961 63.546000 Cu 0.464595 0.224045 2.15859e-16 364 63.546 1.84097e-05 -3.53967 63.546000 Cu 0.585333 0.237004 2.44553e-16 365 63.546 2.98585e-05 -3.53996 63.546000 Cu 0.550808 0.215391 0.5 366 63.546 3.07036e-05 -3.53985 63.546000 Cu 0.499106 0.245666 0.5 367 63.546 5.3001e-05 -3.53987 63.546000 Cu 0.361466 0.284597 1 385 63.546 4.04282e-05 -3.53965 63.546000 Cu 0.447611 0.275938 0.5 387 63.546 2.71593e-05 -3.5397 63.546000 Cu 0.533761 0.267264 3.01339e-17 389 63.546 3.86943e-05 -3.53978 63.546000 Cu 0.65459 0.280239 7.35939e-17 390 63.546 4.034e-05 -3.53962 63.546000 Cu 0.619976 0.258612 0.5 391 63.546 4.08838e-05 -3.53967 63.546000 Cu 0.671566 0.228336 0.5 369 63.546 6.83684e-05 -3.53988 63.546000 Cu 0.757812 0.219698 3.01339e-17 300 63.546 2.18944e-05 -3.5397 63.546000 Cu 0.706108 0.249974 2.1808e-16 323 63.546 2.4242e-05 -3.5397 63.546000 Cu 0.826811 0.262974 6.0808e-17 324 63.546 3.34677e-05 -3.53963 63.546000 Cu 0.79223 0.241333 0.5 325 63.546 4.38789e-05 -3.53966 63.546000 Cu 0.740708 0.271607 0.5 326 63.546 1.05658e-05 -3.53956 63.546000 Cu 0.878403 0.2327 1 327 63.546 3.68445e-05 -3.53961 63.546000 Cu 0.999106 0.245666 3.42158e-18 328 63.546 5.3001e-05 -3.53987 63.546000 Cu 0.964595 0.224045 0.5 329 63.546 1.84097e-05 -3.53967 63.546000 Cu 0.91291 0.254316 0.5 330 63.546 7.72036e-05 -3.53974 63.546000 Cu 0.861466 0.284597 0.5 350 63.546 4.04282e-05 -3.53965 63.546000 Cu 0.947611 0.275938 4.17793e-17 352 63.546 2.71593e-05 -3.5397 63.546000 Cu 0.0685244 0.288882 1 353 63.546 4.88974e-05 -3.53973 63.546000 Cu 0.0171272 0.319149 1.7348e-17 377 63.546 7.42102e-05 -3.53965 63.546000 Cu 0.137912 0.332184 3.01339e-17 378 63.546 2.56258e-05 -3.53966 63.546000 Cu 0.103225 0.310518 0.5 379 63.546 2.76338e-05 -3.53976 63.546000 Cu 0.0518722 0.34079 0.5 380 63.546 0.000105915 -3.53934 63.546000 Cu 0.189315 0.301892 1 381 63.546 9.5379e-06 -3.53978 63.546000 Cu 0.31009 0.31489 1.04388e-16 382 63.546 6.93775e-05 -3.54005 63.546000 Cu 0.275358 0.293249 0.5 383 63.546 3.4107e-05 -3.53978 63.546000 Cu 0.223977 0.323548 0.5 384 63.546 4.66475e-05 -3.54003 63.546000 Cu 0.172525 0.353869 0.5 403 63.546 0.00016094 -3.53979 63.546000 Cu 0.258604 0.345209 1.27079e-16 405 63.546 0.000239009 -3.54026 63.546000 Cu 0.482355 0.297528 3.01339e-17 386 63.546 4.6534e-05 -3.53966 63.546000 Cu 0.396209 0.306206 0.5 388 63.546 1.32969e-05 -3.53979 63.546000 Cu 0.568524 0.288882 0.5 392 63.546 4.88974e-05 -3.53973 63.546000 Cu 0.344801 0.336508 0.5 407 63.546 6.99381e-05 -3.5402 63.546000 Cu 0.431004 0.327807 2.31827e-16 409 63.546 5.78294e-05 -3.53972 63.546000 Cu 0.551872 0.34079 1.32361e-16 410 63.546 0.000105915 -3.53934 63.546000 Cu 0.517127 0.319149 0.5 411 63.546 7.42102e-05 -3.53965 63.546000 Cu 0.465775 0.349406 0.5 412 63.546 0.000253352 -3.53918 63.546000 Cu 0.603225 0.310518 3.01339e-17 413 63.546 2.76338e-05 -3.53976 63.546000 Cu 0.637912 0.332184 0.5 415 63.546 2.56258e-05 -3.53966 63.546000 Cu 0.672525 0.353869 3.01339e-17 438 63.546 0.00016094 -3.53979 63.546000 Cu 0.723977 0.323548 1 347 63.546 4.66475e-05 -3.54003 63.546000 Cu 0.775358 0.293249 1.12612e-16 348 63.546 3.4107e-05 -3.53978 63.546000 Cu 0.896209 0.306206 5.75665e-17 349 63.546 1.32969e-05 -3.53979 63.546000 Cu 0.81009 0.31489 0.5 351 63.546 6.93775e-05 -3.54005 63.546000 Cu 0.982355 0.297528 0.5 355 63.546 4.6534e-05 -3.53966 63.546000 Cu 0.758604 0.345209 0.5 371 63.546 0.000239009 -3.54026 63.546000 Cu 0.844801 0.336508 3.58365e-17 373 63.546 6.99381e-05 -3.5402 63.546000 Cu 0.965775 0.349406 3.01339e-17 374 63.546 0.000253352 -3.53918 63.546000 Cu 0.931004 0.327807 0.5 375 63.546 5.78294e-05 -3.53972 63.546000 Cu 0.689315 0.301892 0.5 414 63.546 9.5379e-06 -3.53978 63.546000 Cu 0.0353515 0.392735 1.83985e-16 398 63.546 0.000784165 -3.53833 63.546000 Cu 0.0865782 0.362471 6.66907e-17 401 63.546 0.00012777 -3.53926 63.546000 Cu 0.207115 0.375559 1.45567e-16 402 63.546 0.00088351 -3.54035 63.546000 Cu 0.121127 0.384215 0.5 404 63.546 0.000582491 -3.54005 63.546000 Cu 0.293257 0.366822 0.5 408 63.546 0.000439763 -3.5405 63.546000 Cu 0.069746 0.414601 0.5 424 63.546 0.0020256 -3.53849 63.546000 Cu 0.155536 0.405988 2.46774e-16 426 63.546 0.00394411 -3.54054 63.546000 Cu 0.27655 0.418553 2.69704e-16 427 63.546 0.00469574 -3.54064 63.546000 Cu 0.241691 0.397181 0.5 428 63.546 0.00261352 -3.54213 63.546000 Cu 0.189602 0.427701 0.5 429 63.546 0.0239084 -3.54471 63.546000 Cu 0.328134 0.388334 1.75341e-16 430 63.546 0.000568681 -3.53991 63.546000 Cu 0.000573807 0.371031 0.5 399 63.546 0.000522522 -3.53901 63.546000 Cu 0.379561 0.358077 1.04628e-16 406 63.546 0.000149127 -3.53976 63.546000 Cu 0.44946 0.401219 2.52716e-17 431 63.546 0.00213963 -3.539 63.546000 Cu 0.414493 0.379617 0.5 432 63.546 0.0010533 -3.53871 63.546000 Cu 0.36338 0.409743 0.5 433 63.546 0.00487002 -3.53672 63.546000 Cu 0.500574 0.371031 3.01339e-17 434 63.546 0.000522522 -3.53901 63.546000 Cu 0.621127 0.384215 3.01339e-17 435 63.546 0.000582491 -3.54005 63.546000 Cu 0.586578 0.362471 0.5 436 63.546 0.00012777 -3.53926 63.546000 Cu 0.535351 0.392735 0.5 437 63.546 0.000784165 -3.53833 63.546000 Cu 0.484335 0.422929 0.5 454 63.546 0.00613242 -3.53217 63.546000 Cu 0.569746 0.414601 1.9443e-16 456 63.546 0.0020256 -3.53849 63.546000 Cu 0.655536 0.405988 0.5 458 63.546 0.00394411 -3.54054 63.546000 Cu 0.793257 0.366822 3.01339e-17 370 63.546 0.000439763 -3.5405 63.546000 Cu 0.707115 0.375559 0.5 372 63.546 0.00088351 -3.54035 63.546000 Cu 0.879561 0.358077 0.5 376 63.546 0.000149127 -3.53976 63.546000 Cu 0.741691 0.397181 1 393 63.546 0.00261352 -3.54213 63.546000 Cu 0.86338 0.409743 2.64542e-16 394 63.546 0.00487002 -3.53672 63.546000 Cu 0.828134 0.388334 0.5 395 63.546 0.000568681 -3.53991 63.546000 Cu 0.77655 0.418553 0.5 396 63.546 0.00469574 -3.54064 63.546000 Cu 0.914493 0.379617 3.82976e-17 397 63.546 0.0010533 -3.53871 63.546000 Cu 0.94946 0.401219 0.5 400 63.546 0.00213963 -3.539 63.546000 Cu 0.984335 0.422929 2.99658e-16 422 63.546 0.00613242 -3.53217 63.546000 Cu 0.689602 0.427701 2.71625e-16 457 63.546 0.0239084 -3.54471 63.546000 Cu 0.303005 0.495844 9.48197e-16 232 63.546 8.25272 -3.60391 63.546000 Cu 0.103595 0.436525 4.46186e-16 423 63.546 0.0186992 -3.52917 63.546000 Cu 0.0185759 0.445109 0.5 425 63.546 0.0118631 -3.53077 63.546000 Cu 0.0527032 0.467486 4.61913e-16 444 63.546 0.564519 -3.48439 63.546000 Cu 0.170114 0.479118 1.72261e-15 445 63.546 2.2235 -3.43463 63.546000 Cu 0.136989 0.458869 0.5 446 63.546 0.419304 -3.50222 63.546000 Cu 0.0868588 0.49598 0.5 447 63.546 10.1986 -3.58337 63.546000 Cu 0.223921 0.448656 6.9386e-16 448 63.546 0.0434541 -3.51711 63.546000 Cu 0.312461 0.439588 0.5 450 63.546 0.0377803 -3.51655 63.546000 Cu 0.261824 0.468612 0.5 451 63.546 0.911673 -3.42032 63.546000 Cu 0.21529 0.495819 0.5 460 63.546 10.7832 -3.14679 63.546000 Cu 0.636989 0.458869 5.89352e-16 4 63.546 0.419304 -3.50222 63.546000 Cu 0.497479 0.495807 0.5 6 63.546 10.7591 -3.32403 63.546000 Cu 0.552703 0.467486 0.5 19 63.546 0.564519 -3.48439 63.546000 Cu 0.586859 0.49598 2.64422e-16 222 63.546 10.1986 -3.58337 63.546000 Cu 0.466653 0.47575 5.61259e-16 224 63.546 1.98028 -3.47883 63.546000 Cu 0.378944 0.481147 0.5 226 63.546 9.10771 -3.33543 63.546000 Cu 0.345922 0.461277 4.44265e-16 449 63.546 0.253866 -3.49244 63.546000 Cu 0.39848 0.43133 2.27265e-16 452 63.546 0.00902597 -3.54099 63.546000 Cu 0.518576 0.445109 3.57885e-16 453 63.546 0.0118631 -3.53077 63.546000 Cu 0.433946 0.45279 0.5 455 63.546 0.0876658 -3.50112 63.546000 Cu 0.603595 0.436525 0.5 459 63.546 0.0186992 -3.52917 63.546000 Cu 0.670114 0.479118 0.5 2 63.546 2.2235 -3.43463 63.546000 Cu 0.761824 0.468612 4.08128e-16 416 63.546 0.911673 -3.42032 63.546000 Cu 0.723921 0.448656 0.5 417 63.546 0.0434541 -3.51711 63.546000 Cu 0.812461 0.439588 6.38694e-17 418 63.546 0.0377803 -3.51655 63.546000 Cu 0.933946 0.45279 3.10703e-16 419 63.546 0.0876658 -3.50112 63.546000 Cu 0.89848 0.43133 0.5 420 63.546 0.00902597 -3.54099 63.546000 Cu 0.845922 0.461277 0.5 421 63.546 0.253866 -3.49244 63.546000 Cu 0.803005 0.495844 0.5 440 63.546 8.25272 -3.60391 63.546000 Cu 0.878944 0.481147 2.26724e-16 441 63.546 9.10771 -3.33543 63.546000 Cu 0.997479 0.495807 3.15866e-16 442 63.546 10.7591 -3.32403 63.546000 Cu 0.966653 0.47575 0.5 443 63.546 1.98028 -3.47883 63.546000 Cu 0.71529 0.495819 1.26965e-15 439 63.546 10.7832 -3.14679 63.546000 Cu 0.170696 0.512589 2.05211e-15 1 63.546 2.11418 -3.43308 63.546000 Cu 0.262203 0.523042 0.5 3 63.546 0.898557 -3.4224 63.546000 Cu 0.0531137 0.524106 4.00565e-16 12 63.546 0.518137 -3.48811 63.546000 Cu 0.104156 0.555072 5.23081e-16 13 63.546 0.0204304 -3.52961 63.546000 Cu 0.137447 0.53277 0.5 14 63.546 0.39811 -3.50394 63.546000 Cu 0.01914 0.546495 0.5 15 63.546 0.012088 -3.53111 63.546000 Cu 0.224504 0.542999 7.63132e-16 16 63.546 0.0426049 -3.51679 63.546000 Cu 0.190319 0.56391 0.5 18 63.546 0.0238862 -3.54473 63.546000 Cu 0.313119 0.552053 0.5 42 63.546 0.0391353 -3.51698 63.546000 Cu 0.346334 0.530377 6.17204e-16 20 63.546 0.251627 -3.49265 63.546000 Cu 0.37919 0.510491 0.5 21 63.546 9.09488 -3.33606 63.546000 Cu 0.466881 0.515893 3.39216e-16 22 63.546 1.94927 -3.47938 63.546000 Cu 0.51914 0.546495 2.07876e-16 23 63.546 0.012088 -3.53111 63.546000 Cu 0.553114 0.524106 0.5 24 63.546 0.518137 -3.48811 63.546000 Cu 0.434517 0.538825 0.5 25 63.546 0.0884611 -3.50193 63.546000 Cu 0.637447 0.53277 6.76992e-16 26 63.546 0.39811 -3.50394 63.546000 Cu 0.604156 0.555072 0.5 29 63.546 0.0204304 -3.52961 63.546000 Cu 0.399194 0.560291 3.27271e-16 43 63.546 0.00931798 -3.54136 63.546000 Cu 0.48507 0.568672 0.5 45 63.546 0.00589609 -3.53205 63.546000 Cu 0.762203 0.523042 5.49193e-16 5 63.546 0.898557 -3.4224 63.546000 Cu 0.670696 0.512589 0.5 7 63.546 2.11418 -3.43308 63.546000 Cu 0.87919 0.510491 3.21808e-16 8 63.546 9.09488 -3.33606 63.546000 Cu 0.934517 0.538825 4.31659e-16 9 63.546 0.0884611 -3.50193 63.546000 Cu 0.966881 0.515893 0.5 10 63.546 1.94927 -3.47938 63.546000 Cu 0.846334 0.530377 0.5 11 63.546 0.251627 -3.49265 63.546000 Cu 0.690319 0.56391 2.68864e-16 27 63.546 0.0238862 -3.54473 63.546000 Cu 0.724504 0.542999 0.5 28 63.546 0.0426049 -3.51679 63.546000 Cu 0.813119 0.552053 9.62844e-17 30 63.546 0.0391353 -3.51698 63.546000 Cu 0.899194 0.560291 0.5 32 63.546 0.00931798 -3.54136 63.546000 Cu 0.98507 0.568672 1.0757e-16 34 63.546 0.00589609 -3.53205 63.546000 Cu 0.277403 0.573068 3.51882e-16 17 63.546 0.00452866 -3.54022 63.546000 Cu 0.0363958 0.598833 5.22841e-17 35 63.546 0.000736739 -3.53834 63.546000 Cu 0.0705081 0.576977 0.5 36 63.546 0.00225864 -3.5384 63.546000 Cu 0.156415 0.585574 5.17438e-17 38 63.546 0.00471945 -3.54055 63.546000 Cu 0.208268 0.615971 3.01339e-17 39 63.546 0.00131369 -3.54079 63.546000 Cu 0.242697 0.594385 0.5 40 63.546 0.00294917 -3.54197 63.546000 Cu 0.122247 0.607329 0.5 41 63.546 0.000758541 -3.54017 63.546000 Cu 0.00187311 0.620537 0.5 57 63.546 0.000897828 -3.53904 63.546000 Cu 0.087864 0.629071 2.14899e-17 59 63.546 0.000194592 -3.53929 63.546000 Cu 0.173846 0.63765 0.5 61 63.546 0.000255733 -3.53998 63.546000 Cu 0.294536 0.624715 0.5 68 63.546 0.000541374 -3.54073 63.546000 Cu 0.329289 0.603247 5.72664e-17 65 63.546 0.000635898 -3.53961 63.546000 Cu 0.450468 0.590381 2.10037e-16 44 63.546 0.00257161 -3.53882 63.546000 Cu 0.364319 0.581877 0.5 46 63.546 0.00580259 -3.53661 63.546000 Cu 0.570508 0.576977 3.01339e-17 47 63.546 0.00225864 -3.5384 63.546000 Cu 0.622247 0.607329 1.64536e-16 48 63.546 0.000758541 -3.54017 63.546000 Cu 0.656415 0.585574 0.5 49 63.546 0.00471945 -3.54055 63.546000 Cu 0.536396 0.598833 0.5 50 63.546 0.000736739 -3.53834 63.546000 Cu 0.380851 0.633456 2.67483e-16 66 63.546 0.000123773 -3.53969 63.546000 Cu 0.415732 0.61196 0.5 67 63.546 0.0013933 -3.53842 63.546000 Cu 0.501873 0.620537 7.19131e-17 69 63.546 0.000897828 -3.53904 63.546000 Cu 0.587864 0.629071 0.5 71 63.546 0.000194592 -3.53929 63.546000 Cu 0.467121 0.642133 0.5 72 63.546 0.00039664 -3.53926 63.546000 Cu 0.864319 0.581877 2.43952e-16 31 63.546 0.00580259 -3.53661 63.546000 Cu 0.777403 0.573068 0.5 33 63.546 0.00452866 -3.54022 63.546000 Cu 0.950468 0.590381 0.5 37 63.546 0.00257161 -3.53882 63.546000 Cu 0.742697 0.594385 2.63281e-16 51 63.546 0.00294917 -3.54197 63.546000 Cu 0.794536 0.624715 1 52 63.546 0.000541374 -3.54073 63.546000 Cu 0.829289 0.603247 0.5 53 63.546 0.000635898 -3.53961 63.546000 Cu 0.708268 0.615971 0.5 54 63.546 0.00131369 -3.54079 63.546000 Cu 0.915732 0.61196 3.01339e-17 55 63.546 0.0013933 -3.53842 63.546000 Cu 0.967121 0.642133 1.25638e-16 56 63.546 0.00039664 -3.53926 63.546000 Cu 0.880851 0.633456 0.5 58 63.546 0.000123773 -3.53969 63.546000 Cu 0.673846 0.63765 3.01339e-17 73 63.546 0.000255733 -3.53998 63.546000 Cu 0.139254 0.659319 2.29126e-16 60 63.546 4.31175e-05 -3.53939 63.546000 Cu 0.0532469 0.650735 0.5 62 63.546 0.000245975 -3.53922 63.546000 Cu 0.259895 0.646306 0 63 63.546 0.000271982 -3.54024 63.546000 Cu 0.225273 0.667937 0.5 64 63.546 6.93555e-05 -3.53974 63.546000 Cu 0.0184551 0.672343 3.01339e-17 81 63.546 0.000118879 -3.53959 63.546000 Cu 0.0698003 0.702584 5.00631e-17 82 63.546 7.10254e-05 -3.53971 63.546000 Cu 0.104544 0.680963 0.5 83 63.546 4.44233e-05 -3.53963 63.546000 Cu 0.190596 0.689576 1.15853e-17 85 63.546 7.09114e-06 -3.53977 63.546000 Cu 0.276651 0.698206 0.5 87 63.546 3.86502e-05 -3.53983 63.546000 Cu 0.155882 0.711216 0.5 88 63.546 5.44086e-05 -3.5397 63.546000 Cu 0.311368 0.676586 1.38844e-16 89 63.546 7.66824e-05 -3.53994 63.546000 Cu 0.553247 0.650735 1 70 63.546 0.000245975 -3.53922 63.546000 Cu 0.639254 0.659319 0.5 76 63.546 4.31175e-05 -3.53939 63.546000 Cu 0.346066 0.654996 0.5 90 63.546 0.000103993 -3.54004 63.546000 Cu 0.432278 0.663684 3.01339e-17 91 63.546 3.71047e-05 -3.53976 63.546000 Cu 0.483661 0.693929 8.22379e-17 92 63.546 1.5399e-05 -3.53983 63.546000 Cu 0.518455 0.672343 0.5 93 63.546 0.000118879 -3.53959 63.546000 Cu 0.3975 0.685257 0.5 94 63.546 2.41678e-05 -3.53994 63.546000 Cu 0.604544 0.680963 1.61054e-16 95 63.546 4.44233e-05 -3.53963 63.546000 Cu 0.655882 0.711216 2.95336e-16 96 63.546 5.44086e-05 -3.5397 63.546000 Cu 0.5698 0.702584 0.5 98 63.546 7.10254e-05 -3.53971 63.546000 Cu 0.362752 0.706857 1.18855e-16 112 63.546 2.67749e-05 -3.53988 63.546000 Cu 0.725273 0.667937 1.3008e-16 74 63.546 6.93555e-05 -3.53974 63.546000 Cu 0.759895 0.646306 0.5 75 63.546 0.000271982 -3.54024 63.546000 Cu 0.846066 0.654996 2.99538e-17 77 63.546 0.000103993 -3.54004 63.546000 Cu 0.8975 0.685257 1.14833e-16 78 63.546 2.41678e-05 -3.53994 63.546000 Cu 0.932278 0.663684 0.5 79 63.546 3.71047e-05 -3.53976 63.546000 Cu 0.811368 0.676586 0.5 80 63.546 7.66824e-05 -3.53994 63.546000 Cu 0.983661 0.693929 0.5 84 63.546 1.5399e-05 -3.53983 63.546000 Cu 0.690596 0.689576 0.5 97 63.546 7.09114e-06 -3.53977 63.546000 Cu 0.776651 0.698206 1.61174e-16 99 63.546 3.86502e-05 -3.53983 63.546000 Cu 0.862752 0.706857 0.5 101 63.546 2.67749e-05 -3.53988 63.546000 Cu 0.241901 0.719837 1 86 63.546 6.83575e-06 -3.53976 63.546000 Cu 8.78824e-05 0.745768 9.04617e-17 104 63.546 1.22326e-05 -3.53992 63.546000 Cu 0.0349755 0.724172 0.5 105 63.546 1.09569e-05 -3.53965 63.546000 Cu 0.121049 0.732829 2.01993e-16 107 63.546 2.99057e-05 -3.53961 63.546000 Cu 0.172237 0.763074 8.15176e-17 108 63.546 2.16505e-05 -3.53942 63.546000 Cu 0.207101 0.741472 0.5 109 63.546 4.3888e-05 -3.53953 63.546000 Cu 0.0862025 0.754425 0.5 110 63.546 1.20709e-05 -3.53984 63.546000 Cu 0.258292 0.771713 0.5 111 63.546 1.48257e-05 -3.53968 63.546000 Cu 0.051406 0.776032 1.91488e-17 128 63.546 2.42069e-05 -3.53997 63.546000 Cu 0.137477 0.78469 0.5 130 63.546 2.66187e-05 -3.53955 63.546000 Cu 0.293122 0.750091 2.21622e-16 135 63.546 3.60211e-06 -3.53983 63.546000 Cu 0.327938 0.728464 0.5 115 63.546 4.14815e-05 -3.53988 63.546000 Cu 0.41405 0.737114 7.90564e-17 113 63.546 2.44622e-05 -3.53978 63.546000 Cu 0.448848 0.715518 0.5 114 63.546 8.61945e-06 -3.53972 63.546000 Cu 0.534976 0.724172 6.513e-17 116 63.546 1.09569e-05 -3.53965 63.546000 Cu 0.586203 0.754425 1.03788e-16 117 63.546 1.20709e-05 -3.53984 63.546000 Cu 0.621049 0.732829 0.5 118 63.546 2.99057e-05 -3.53961 63.546000 Cu 0.500088 0.745768 0.5 119 63.546 1.22326e-05 -3.53992 63.546000 Cu 0.344386 0.780341 3.01339e-17 136 63.546 4.24484e-06 -3.53952 63.546000 Cu 0.379152 0.758721 0.5 137 63.546 3.80131e-05 -3.53978 63.546000 Cu 0.465263 0.767368 1.18194e-16 138 63.546 1.52739e-05 -3.53989 63.546000 Cu 0.551406 0.776032 0.5 140 63.546 2.42069e-05 -3.53997 63.546000 Cu 0.637477 0.78469 5.76866e-17 142 63.546 2.66187e-05 -3.53955 63.546000 Cu 0.827938 0.728464 1.88787e-16 100 63.546 4.14815e-05 -3.53988 63.546000 Cu 0.741901 0.719837 0.5 102 63.546 6.83575e-06 -3.53976 63.546000 Cu 0.948848 0.715518 3.01339e-17 103 63.546 8.61945e-06 -3.53972 63.546000 Cu 0.91405 0.737114 0.5 106 63.546 2.44622e-05 -3.53978 63.546000 Cu 0.707101 0.741472 1.42686e-16 120 63.546 4.3888e-05 -3.53953 63.546000 Cu 0.758292 0.771713 1.39324e-16 121 63.546 1.48257e-05 -3.53968 63.546000 Cu 0.793122 0.750091 0.5 122 63.546 3.60211e-06 -3.53983 63.546000 Cu 0.672237 0.763074 0.5 123 63.546 2.16505e-05 -3.53942 63.546000 Cu 0.879152 0.758721 4.7662e-17 124 63.546 3.80131e-05 -3.53978 63.546000 Cu 0.965263 0.767368 0.5 126 63.546 1.52739e-05 -3.53989 63.546000 Cu 0.844386 0.780341 0.5 127 63.546 4.24484e-06 -3.53952 63.546000 Cu 0.102711 0.806293 1.23117e-16 129 63.546 4.92346e-05 -3.53979 63.546000 Cu 0.0165738 0.797616 0.5 131 63.546 2.08308e-05 -3.53998 63.546000 Cu 0.223528 0.793329 2.97977e-16 132 63.546 8.45488e-06 -3.53983 63.546000 Cu 0.274847 0.823596 1.25218e-16 133 63.546 4.76675e-05 -3.54 63.546000 Cu 0.188781 0.814955 0.5 134 63.546 6.32038e-05 -3.54017 63.546000 Cu 0.0330801 0.849432 5.68462e-17 151 63.546 0.000273231 -3.53921 63.546000 Cu 0.0678467 0.827866 0.5 152 63.546 6.41936e-05 -3.53984 63.546000 Cu 0.154035 0.836564 8.09773e-17 154 63.546 0.000184596 -3.54033 63.546000 Cu 0.240209 0.845242 0.5 156 63.546 0.000335375 -3.54038 63.546000 Cu 0.309616 0.80196 0.5 158 63.546 1.24941e-05 -3.53959 63.546000 Cu 0.326323 0.853872 1.97611e-16 181 63.546 0.000179096 -3.53977 63.546000 Cu 0.516574 0.797616 1.61715e-16 139 63.546 2.08308e-05 -3.53998 63.546000 Cu 0.430432 0.788963 0.5 141 63.546 6.21716e-05 -3.53964 63.546000 Cu 0.602711 0.806293 0.5 145 63.546 4.92346e-05 -3.53979 63.546000 Cu 0.395627 0.810583 2.61541e-16 159 63.546 3.21542e-05 -3.53962 63.546000 Cu 0.446938 0.840818 1.5235e-16 160 63.546 0.000163684 -3.53949 63.546000 Cu 0.48172 0.819211 0.5 161 63.546 6.79503e-05 -3.53996 63.546000 Cu 0.360843 0.832212 0.5 162 63.546 0.000129391 -3.53953 63.546000 Cu 0.567847 0.827866 1.93409e-16 163 63.546 6.41936e-05 -3.53984 63.546000 Cu 0.654035 0.836564 0.5 165 63.546 0.000184596 -3.54033 63.546000 Cu 0.53308 0.849432 0.5 166 63.546 0.000273231 -3.53921 63.546000 Cu 0.930432 0.788963 3.01339e-17 125 63.546 6.21716e-05 -3.53964 63.546000 Cu 0.688781 0.814955 1.20716e-16 143 63.546 6.32038e-05 -3.54017 63.546000 Cu 0.723528 0.793329 0.5 144 63.546 8.45488e-06 -3.53983 63.546000 Cu 0.809616 0.80196 1 146 63.546 1.24941e-05 -3.53959 63.546000 Cu 0.860843 0.832212 5.12036e-17 147 63.546 0.000129391 -3.53953 63.546000 Cu 0.895627 0.810583 0.5 148 63.546 3.21542e-05 -3.53962 63.546000 Cu 0.774847 0.823596 0.5 149 63.546 4.76675e-05 -3.54 63.546000 Cu 0.98172 0.819211 6.89118e-17 150 63.546 6.79503e-05 -3.53996 63.546000 Cu 0.946938 0.840818 0.5 153 63.546 0.000163684 -3.53949 63.546000 Cu 0.740209 0.845242 1.47548e-16 167 63.546 0.000335375 -3.54038 63.546000 Cu 0.826323 0.853872 0.5 169 63.546 0.000179096 -3.53977 63.546000 Cu 0.205739 0.866839 3.17186e-16 155 63.546 0.000596867 -3.54059 63.546000 Cu 0.119354 0.858106 0.5 157 63.546 0.000146597 -3.53967 63.546000 Cu 0.0846893 0.879601 3.13765e-16 175 63.546 0.000979156 -3.53839 63.546000 Cu 0.136342 0.909673 7.31737e-17 176 63.546 0.00454295 -3.53649 63.546000 Cu 0.171221 0.88831 0.5 177 63.546 0.000502344 -3.53957 63.546000 Cu 0.0501198 0.901146 0.5 178 63.546 0.00218023 -3.53886 63.546000 Cu 0.257815 0.897142 2.18981e-16 179 63.546 0.00295923 -3.54199 63.546000 Cu 0.223266 0.91848 0.5 180 63.546 0.00451191 -3.54056 63.546000 Cu 0.292051 0.875543 0.5 184 63.546 0.000982825 -3.54041 63.546000 Cu 0.0155095 0.922804 3.01339e-17 197 63.546 0.00646633 -3.53214 63.546000 Cu 0.310326 0.927611 3.78354e-16 205 63.546 0.0250682 -3.54503 63.546000 Cu 0.619354 0.858106 3.01339e-17 164 63.546 0.000146597 -3.53967 63.546000 Cu 0.378137 0.884165 1.62975e-16 182 63.546 0.00042532 -3.5399 63.546000 Cu 0.412345 0.86245 0.5 183 63.546 0.000331444 -3.53921 63.546000 Cu 0.498478 0.871012 1.33742e-16 185 63.546 0.000612847 -3.53895 63.546000 Cu 0.55012 0.901146 1.60454e-16 186 63.546 0.00218023 -3.53886 63.546000 Cu 0.584689 0.879601 0.5 187 63.546 0.000979156 -3.53839 63.546000 Cu 0.46405 0.892669 0.5 188 63.546 0.000895506 -3.53824 63.546000 Cu 0.636342 0.909673 0.5 192 63.546 0.00454295 -3.53649 63.546000 Cu 0.344108 0.905914 0.5 206 63.546 0.00384293 -3.54036 63.546000 Cu 0.430003 0.914489 5.52254e-18 207 63.546 0.00169842 -3.5383 63.546000 Cu 0.515509 0.922804 0.5 209 63.546 0.00646633 -3.53214 63.546000 Cu 0.998478 0.871012 0.5 173 63.546 0.000612847 -3.53895 63.546000 Cu 0.792051 0.875543 1.00066e-16 168 63.546 0.000982825 -3.54041 63.546000 Cu 0.705739 0.866839 0.5 170 63.546 0.000596867 -3.54059 63.546000 Cu 0.912345 0.86245 2.04094e-18 171 63.546 0.000331444 -3.53921 63.546000 Cu 0.96405 0.892669 1.40705e-16 172 63.546 0.000895506 -3.53824 63.546000 Cu 0.878137 0.884165 0.5 174 63.546 0.00042532 -3.5399 63.546000 Cu 0.671221 0.88831 1 189 63.546 0.000502344 -3.53957 63.546000 Cu 0.723266 0.91848 1 190 63.546 0.00451191 -3.54056 63.546000 Cu 0.757815 0.897142 0.5 191 63.546 0.00295923 -3.54199 63.546000 Cu 0.844108 0.905914 1.44367e-16 193 63.546 0.00384293 -3.54036 63.546000 Cu 0.930003 0.914489 0.5 195 63.546 0.00169842 -3.5383 63.546000 Cu 0.810326 0.927611 0.5 196 63.546 0.0250682 -3.54503 63.546000 Cu 0.197044 0.995645 0.5 250 63.546 8.26115 -3.60602 63.546000 Cu 0.0660573 0.952633 1.0949e-16 198 63.546 0.0890768 -3.50133 63.546000 Cu 0.101448 0.931219 0.5 199 63.546 0.00863517 -3.54119 63.546000 Cu 0.187557 0.939484 3.31773e-16 201 63.546 0.036559 -3.5164 63.546000 Cu 0.23826 0.968471 7.84802e-16 202 63.546 0.910288 -3.42085 63.546000 Cu 0.276151 0.948561 0.5 203 63.546 0.0440623 -3.51688 63.546000 Cu 0.15419 0.961138 0.5 204 63.546 0.255588 -3.49204 63.546000 Cu 0.00239629 0.995612 1 220 63.546 10.777 -3.324 63.546000 Cu 0.0333882 0.975573 0.5 221 63.546 1.99159 -3.47983 63.546000 Cu 0.121054 0.980964 4.01165e-16 223 63.546 9.09585 -3.33439 63.546000 Cu 0.284795 0.995696 3.67982e-15 234 63.546 10.8179 -3.14498 63.546000 Cu 0.330025 0.978994 0.5 228 63.546 2.22333 -3.43548 63.546000 Cu 0.413122 0.995786 4.61553e-16 252 63.546 10.2136 -3.58399 63.546000 Cu 0.481391 0.944943 4.25776e-16 208 63.546 0.0112571 -3.53114 63.546000 Cu 0.396346 0.936393 0.5 210 63.546 0.018479 -3.52928 63.546000 Cu 0.601448 0.931219 1 211 63.546 0.00863517 -3.54119 63.546000 Cu 0.65419 0.961138 1 212 63.546 0.255588 -3.49204 63.546000 Cu 0.566057 0.952633 0.5 214 63.546 0.0890768 -3.50133 63.546000 Cu 0.363099 0.958757 1.02617e-15 225 63.546 0.424059 -3.50292 63.546000 Cu 0.447321 0.967309 0.5 227 63.546 0.559163 -3.48412 63.546000 Cu 0.533388 0.975573 3.65508e-16 229 63.546 1.99159 -3.47983 63.546000 Cu 0.621054 0.980964 0.5 230 63.546 9.09585 -3.33439 63.546000 Cu 0.502396 0.995612 0.5 231 63.546 10.777 -3.324 63.546000 Cu 0.697044 0.995645 1 235 63.546 8.26115 -3.60602 63.546000 Cu 0.913122 0.995786 0.5 238 63.546 10.2136 -3.58399 63.546000 Cu 0.896346 0.936393 1 194 63.546 0.018479 -3.52928 63.546000 Cu 0.981391 0.944943 0.5 200 63.546 0.0112571 -3.53114 63.546000 Cu 0.687557 0.939484 0.5 213 63.546 0.036559 -3.5164 63.546000 Cu 0.776151 0.948561 1 215 63.546 0.0440623 -3.51688 63.546000 Cu 0.830025 0.978994 1 216 63.546 2.22333 -3.43548 63.546000 Cu 0.863099 0.958757 0.5 217 63.546 0.424059 -3.50292 63.546000 Cu 0.73826 0.968471 0.5 218 63.546 0.910288 -3.42085 63.546000 Cu 0.947321 0.967309 1 219 63.546 0.559163 -3.48412 63.546000 Cu 0.784795 0.995696 0.5 233 63.546 10.8179 -3.14498