Number of particles = 460 A = 1 Angstrom (basic length-scale) H0(1,1) = 19.4181 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 77.8767 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61539 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 0.031868 0.012048 1.92002e-17 235 63.546 1.74713 -3.47215 63.546000 Cu 0.119149 0.00656104 0.5 237 63.546 9.21932 -3.32188 63.546000 Cu 0.0988116 0.056397 2.02423e-19 240 63.546 0.0159967 -3.53947 63.546000 Cu 0.0637298 0.0348952 0.5 241 63.546 0.0948736 -3.52061 63.546000 Cu 0.151857 0.0266239 6.74742e-20 243 63.546 0.225742 -3.49975 63.546000 Cu 0.23639 0.0190059 0.5 245 63.546 0.75643 -3.43204 63.546000 Cu 0.185086 0.0481488 0.5 246 63.546 0.045794 -3.52772 63.546000 Cu 0.274039 0.0389647 9.77626e-18 244 63.546 0.0349052 -3.52124 63.546000 Cu 0.327256 0.00858201 0 247 63.546 1.64742 -3.43219 63.546000 Cu 0.445925 0.0197903 2.0842e-18 248 63.546 0.406326 -3.4854 63.546000 Cu 0.361393 0.0287942 0.5 250 63.546 0.324991 -3.50978 63.546000 Cu 0.394579 0.0507994 3.06108e-17 264 63.546 0.035019 -3.53809 63.546000 Cu 0.479363 0.0423926 0.5 266 63.546 0.0134137 -3.52796 63.546000 Cu 0.619152 0.00655909 7.51213e-17 251 63.546 9.21908 -3.32188 63.546000 Cu 0.53187 0.0120465 0.5 252 63.546 1.74733 -3.47216 63.546000 Cu 0.563733 0.0348925 7.0518e-17 268 63.546 0.0948614 -3.5206 63.546000 Cu 0.685093 0.0481452 5.227e-17 269 63.546 0.045716 -3.52768 63.546000 Cu 0.651861 0.0266212 0.5 270 63.546 0.225772 -3.49974 63.546000 Cu 0.598819 0.0563922 0.5 271 63.546 0.0159417 -3.53945 63.546000 Cu 0.736394 0.0190041 2.02423e-19 272 63.546 0.756346 -3.43201 63.546000 Cu 0.945925 0.0197912 0.5 236 63.546 0.406278 -3.48538 63.546000 Cu 0.979362 0.0423947 5.05607e-17 239 63.546 0.0133817 -3.52795 63.546000 Cu 0.861396 0.0287937 4.19839e-19 273 63.546 0.325128 -3.50979 63.546000 Cu 0.827258 0.00858083 0.5 274 63.546 1.64744 -3.43224 63.546000 Cu 0.774045 0.0389626 0.5 275 63.546 0.0349167 -3.52124 63.546000 Cu 0.894583 0.0508002 0.5 297 63.546 0.0350359 -3.53808 63.546000 Cu 0.0130689 0.0647023 0.5 242 63.546 0.0109125 -3.53322 63.546000 Cu 0.0475028 0.0863924 5.17302e-19 256 63.546 0.00531195 -3.53759 63.546000 Cu 0.168767 0.0991455 4.03646e-17 257 63.546 0.000951862 -3.53961 63.546000 Cu 0.133695 0.0778963 0.5 258 63.546 0.0089036 -3.53627 63.546000 Cu 0.0821193 0.107893 0.5 259 63.546 0.00243361 -3.53833 63.546000 Cu 0.220821 0.069004 2.70272e-17 260 63.546 0.00509089 -3.53981 63.546000 Cu 0.341953 0.0813643 2.32411e-19 261 63.546 0.00986538 -3.54276 63.546000 Cu 0.308186 0.0597674 0.5 262 63.546 0.028865 -3.54396 63.546000 Cu 0.255502 0.0902153 0.5 263 63.546 0.00510632 -3.54237 63.546000 Cu 0.427743 0.0728507 0.5 267 63.546 0.00371605 -3.53925 63.546000 Cu 0.289699 0.111754 1.76408e-17 284 63.546 0.00269009 -3.54138 63.546000 Cu 0.375752 0.103156 0.5 286 63.546 0.00131679 -3.54027 63.546000 Cu 0.461554 0.0947658 2.45456e-17 288 63.546 0.0019463 -3.53795 63.546000 Cu 0.495895 0.116424 0.5 291 63.546 0.00160105 -3.53862 63.546000 Cu 0.513073 0.0646975 1.12457e-19 265 63.546 0.010914 -3.53322 63.546000 Cu 0.582145 0.10788 9.74627e-20 289 63.546 0.00235574 -3.53828 63.546000 Cu 0.547515 0.0863839 0.5 290 63.546 0.00526019 -3.53758 63.546000 Cu 0.63371 0.0778893 5.99771e-20 292 63.546 0.00881716 -3.53624 63.546000 Cu 0.720834 0.0689996 0.5 294 63.546 0.00509335 -3.53981 63.546000 Cu 0.668792 0.0991366 0.5 295 63.546 0.000943735 -3.53959 63.546000 Cu 0.927745 0.0728542 2.40808e-17 238 63.546 0.00368616 -3.53923 63.546000 Cu 0.995874 0.116439 3.97348e-19 253 63.546 0.00164429 -3.53865 63.546000 Cu 0.961549 0.0947738 0.5 254 63.546 0.00193302 -3.53794 63.546000 Cu 0.755521 0.0902114 5.239e-17 293 63.546 0.00519706 -3.54237 63.546000 Cu 0.808194 0.0597658 8.24685e-20 296 63.546 0.0289837 -3.54397 63.546000 Cu 0.841963 0.0813649 0.5 298 63.546 0.00991292 -3.54275 63.546000 Cu 0.789719 0.111753 0.5 319 63.546 0.00275661 -3.54135 63.546000 Cu 0.875757 0.103161 1.53691e-17 321 63.546 0.00129992 -3.54024 63.546000 Cu 0.0648836 0.159465 1.92152e-17 277 63.546 0.000104445 -3.53983 63.546000 Cu 0.0303725 0.13798 0.5 278 63.546 0.000760804 -3.53927 63.546000 Cu 0.116804 0.129299 4.34834e-19 280 63.546 0.000272784 -3.53991 63.546000 Cu 0.237631 0.142046 5.06281e-17 281 63.546 0.000716247 -3.54077 63.546000 Cu 0.203339 0.120517 0.5 282 63.546 0.00109872 -3.54099 63.546000 Cu 0.151293 0.150755 0.5 283 63.546 0.000201175 -3.54045 63.546000 Cu 0.185657 0.17228 9.77626e-18 305 63.546 0.000208803 -3.54036 63.546000 Cu 0.409819 0.124903 5.65659e-17 285 63.546 0.000387001 -3.53923 63.546000 Cu 0.323811 0.133419 0.5 287 63.546 0.000472423 -3.54026 63.546000 Cu 0.271883 0.163644 0.5 307 63.546 0.000173787 -3.54017 63.546000 Cu 0.358027 0.15507 6.07867e-17 309 63.546 8.7742e-05 -3.5396 63.546000 Cu 0.478628 0.168075 9.4134e-17 310 63.546 0.000196269 -3.53942 63.546000 Cu 0.444156 0.146534 0.5 311 63.546 0.000498911 -3.5392 63.546000 Cu 0.530415 0.137956 3.61362e-18 313 63.546 0.000678681 -3.5392 63.546000 Cu 0.651349 0.150738 1.12457e-19 314 63.546 0.000267424 -3.54042 63.546000 Cu 0.616846 0.129281 0.5 315 63.546 0.000255035 -3.53985 63.546000 Cu 0.564952 0.159435 0.5 316 63.546 7.59442e-05 -3.53977 63.546000 Cu 0.703373 0.120508 2.42007e-17 317 63.546 0.00118197 -3.54096 63.546000 Cu 0.737667 0.142042 0.5 320 63.546 0.000785563 -3.54075 63.546000 Cu 0.685716 0.172272 0.5 340 63.546 0.000265972 -3.54035 63.546000 Cu 0.909812 0.124916 0.5 255 63.546 0.000369194 -3.53923 63.546000 Cu 0.944126 0.146559 7.28721e-18 276 63.546 0.00054518 -3.53925 63.546000 Cu 0.978561 0.168113 0.5 279 63.546 0.000274386 -3.53949 63.546000 Cu 0.823824 0.133425 7.49713e-21 318 63.546 0.000467687 -3.54024 63.546000 Cu 0.771908 0.163654 3.35722e-17 342 63.546 0.000172197 -3.54017 63.546000 Cu 0.858019 0.155091 0.5 344 63.546 7.29488e-05 -3.53962 63.546000 Cu 0.0130143 0.189635 1.49943e-20 301 63.546 5.54668e-05 -3.53997 63.546000 Cu 0.133772 0.202489 1.49643e-17 302 63.546 5.47163e-05 -3.54022 63.546000 Cu 0.0993402 0.180959 0.5 303 63.546 3.3533e-05 -3.54021 63.546000 Cu 0.0474781 0.211157 0.5 304 63.546 1.92842e-06 -3.54018 63.546000 Cu 0.220021 0.193846 0.5 308 63.546 7.78277e-05 -3.5401 63.546000 Cu 0.0819603 0.232681 1.13109e-16 326 63.546 2.40342e-05 -3.53997 63.546000 Cu 0.168223 0.224033 0.5 328 63.546 5.63101e-05 -3.53991 63.546000 Cu 0.306211 0.185244 9.77626e-18 306 63.546 2.27567e-05 -3.5398 63.546000 Cu 0.392388 0.176667 0.5 312 63.546 0.000120134 -3.53952 63.546000 Cu 0.25443 0.215419 5.96847e-17 330 63.546 1.5169e-05 -3.53982 63.546000 Cu 0.375098 0.228381 9.77626e-18 331 63.546 2.63605e-05 -3.53985 63.546000 Cu 0.340624 0.206822 0.5 332 63.546 2.17745e-05 -3.53975 63.546000 Cu 0.426841 0.19822 5.99771e-20 334 63.546 6.42298e-05 -3.53977 63.546000 Cu 0.461336 0.219758 0.5 337 63.546 1.21143e-05 -3.53999 63.546000 Cu 0.547607 0.211116 1.12457e-19 335 63.546 1.99154e-05 -3.54014 63.546000 Cu 0.51312 0.189589 0.5 336 63.546 2.16698e-05 -3.53991 63.546000 Cu 0.599431 0.180931 3.99447e-17 338 63.546 7.90332e-05 -3.54017 63.546000 Cu 0.720055 0.193859 1.49943e-20 339 63.546 7.8782e-05 -3.54008 63.546000 Cu 0.633859 0.202476 0.5 341 63.546 9.78602e-05 -3.54018 63.546000 Cu 0.582068 0.232662 0.5 361 63.546 5.76774e-05 -3.53994 63.546000 Cu 0.668262 0.22405 8.99656e-20 363 63.546 5.83739e-05 -3.53988 63.546000 Cu 0.961185 0.219823 1.19954e-19 299 63.546 7.27525e-05 -3.54008 63.546000 Cu 0.926738 0.198277 0.5 300 63.546 0.000138767 -3.53982 63.546000 Cu 0.892341 0.176707 1.49943e-20 343 63.546 0.000161824 -3.53957 63.546000 Cu 0.806199 0.185276 0.5 345 63.546 1.11798e-05 -3.53982 63.546000 Cu 0.754406 0.215462 0.5 365 63.546 2.86073e-06 -3.5398 63.546000 Cu 0.840549 0.206879 3.32873e-17 367 63.546 5.76091e-05 -3.53976 63.546000 Cu 0.874952 0.22846 0.5 368 63.546 0.000109623 -3.53996 63.546000 Cu 0.0302208 0.262861 5.67308e-17 323 63.546 3.82818e-05 -3.5399 63.546000 Cu 0.202707 0.245586 1.07284e-17 327 63.546 3.5461e-05 -3.53981 63.546000 Cu 0.116484 0.254208 0.5 329 63.546 8.08171e-05 -3.53982 63.546000 Cu 0.0648373 0.284382 0.5 349 63.546 0.000153736 -3.5397 63.546000 Cu 0.151044 0.275758 1.33749e-17 351 63.546 9.27181e-05 -3.5398 63.546000 Cu 0.237201 0.267158 0.5 353 63.546 8.29398e-06 -3.53986 63.546000 Cu 0.288898 0.236984 0.5 333 63.546 1.8594e-06 -3.5398 63.546000 Cu 0.271678 0.288744 9.74627e-20 352 63.546 5.07064e-05 -3.54014 63.546000 Cu 0.32338 0.25855 8.04517e-17 355 63.546 1.96313e-05 -3.53993 63.546000 Cu 0.444092 0.27147 1.64937e-19 356 63.546 1.14213e-05 -3.54007 63.546000 Cu 0.409593 0.249927 0.5 357 63.546 1.15176e-05 -3.53991 63.546000 Cu 0.357863 0.280114 0.5 358 63.546 3.89005e-05 -3.54023 63.546000 Cu 0.495833 0.241294 5.85751e-17 359 63.546 5.77174e-06 -3.53992 63.546000 Cu 0.47865 0.293019 0.5 382 63.546 8.38393e-05 -3.53991 63.546000 Cu 0.616513 0.25423 2.66748e-17 360 63.546 8.71655e-05 -3.5399 63.546000 Cu 0.530323 0.262837 0.5 362 63.546 7.44806e-05 -3.53995 63.546000 Cu 0.70266 0.245645 0.5 366 63.546 1.48869e-05 -3.53988 63.546000 Cu 0.564831 0.284411 2.65324e-17 384 63.546 0.000120619 -3.53974 63.546000 Cu 0.650958 0.275835 0.5 386 63.546 2.72871e-05 -3.53981 63.546000 Cu 0.737057 0.267261 1.27451e-19 388 63.546 4.12168e-05 -3.53998 63.546000 Cu 0.909401 0.250019 4.49828e-20 322 63.546 0.000128304 -3.54004 63.546000 Cu 0.995673 0.241351 0.5 324 63.546 1.71358e-05 -3.54002 63.546000 Cu 0.943917 0.271544 0.5 325 63.546 5.88652e-05 -3.54002 63.546000 Cu 0.978582 0.293042 9.77626e-18 347 63.546 7.38425e-05 -3.53985 63.546000 Cu 0.788788 0.237062 5.27048e-18 364 63.546 3.00368e-05 -3.53988 63.546000 Cu 0.857654 0.280225 2.14868e-17 389 63.546 0.000237602 -3.54016 63.546000 Cu 0.823201 0.258659 0.5 390 63.546 0.000146652 -3.54006 63.546000 Cu 0.771457 0.288873 0.5 391 63.546 0.000287002 -3.54006 63.546000 Cu 0.099471 0.305935 2.86091e-17 348 63.546 0.00020016 -3.53957 63.546000 Cu 0.0133403 0.314543 0.5 350 63.546 0.00045638 -3.53948 63.546000 Cu 0.185569 0.297348 0.5 354 63.546 2.58067e-05 -3.5399 63.546000 Cu 0.0480754 0.336109 2.29112e-17 372 63.546 0.000503457 -3.53933 63.546000 Cu 0.168619 0.349215 9.77626e-18 373 63.546 0.000420964 -3.54044 63.546000 Cu 0.134064 0.327548 0.5 374 63.546 6.64863e-05 -3.53985 63.546000 Cu 0.220101 0.318965 9.77626e-18 376 63.546 0.00012566 -3.54023 63.546000 Cu 0.340856 0.33188 1.34948e-19 377 63.546 0.00014051 -3.54039 63.546000 Cu 0.3062 0.310337 0.5 378 63.546 0.000199015 -3.54035 63.546000 Cu 0.25467 0.340575 0.5 379 63.546 0.000533719 -3.54075 63.546000 Cu 0.392414 0.30167 2.12844e-17 380 63.546 3.85663e-05 -3.5403 63.546000 Cu 0.427092 0.323199 0.5 383 63.546 0.000160192 -3.53982 63.546000 Cu 0.461928 0.344725 3.29874e-19 404 63.546 0.000979725 -3.53913 63.546000 Cu 0.513273 0.314574 2.47405e-19 381 63.546 0.000351547 -3.53937 63.546000 Cu 0.685377 0.297462 1.4447e-17 385 63.546 5.97366e-05 -3.53967 63.546000 Cu 0.599336 0.306012 0.5 387 63.546 0.000120867 -3.53934 63.546000 Cu 0.547933 0.336184 0.5 406 63.546 0.000439832 -3.53938 63.546000 Cu 0.633874 0.327664 1.19954e-19 408 63.546 9.43077e-05 -3.53984 63.546000 Cu 0.719832 0.319101 0.5 410 63.546 0.000564844 -3.54035 63.546000 Cu 0.66847 0.349373 0.5 411 63.546 0.00104768 -3.54075 63.546000 Cu 0.927055 0.323221 9.77626e-18 346 63.546 0.000168951 -3.53975 63.546000 Cu 0.962007 0.344691 0.5 370 63.546 0.0011939 -3.53911 63.546000 Cu 0.754479 0.340718 7.98145e-17 409 63.546 0.00144602 -3.54096 63.546000 Cu 0.805982 0.310449 1.27451e-19 412 63.546 0.000521422 -3.54055 63.546000 Cu 0.892257 0.301745 0.5 413 63.546 0.000129276 -3.54023 63.546000 Cu 0.840748 0.331965 0.5 414 63.546 0.000307902 -3.54048 63.546000 Cu 0.0827476 0.357762 0.5 375 63.546 0.000224381 -3.53947 63.546000 Cu 0.065915 0.409836 3.10456e-17 393 63.546 0.00300761 -3.53956 63.546000 Cu 0.0316612 0.387968 0.5 394 63.546 0.000940855 -3.53841 63.546000 Cu 0.117279 0.379515 1.49943e-20 396 63.546 0.00118239 -3.54031 63.546000 Cu 0.237857 0.392439 9.77626e-18 397 63.546 0.00431737 -3.5425 63.546000 Cu 0.203184 0.370871 0.5 398 63.546 0.00186714 -3.54152 63.546000 Cu 0.151679 0.401267 0.5 399 63.546 0.00692612 -3.54236 63.546000 Cu 0.289378 0.362119 1.09293e-16 400 63.546 0.000737375 -3.54096 63.546000 Cu 0.41072 0.37482 3.41944e-17 401 63.546 0.00306017 -3.53814 63.546000 Cu 0.375698 0.353369 0.5 402 63.546 0.000366849 -3.53976 63.546000 Cu 0.324351 0.383519 0.5 403 63.546 0.00130291 -3.53961 63.546000 Cu 0.496768 0.366334 0.5 407 63.546 0.00145342 -3.53883 63.546000 Cu 0.35982 0.404828 6.74742e-17 425 63.546 0.01188 -3.53532 63.546000 Cu 0.445685 0.396422 0.5 427 63.546 0.00435481 -3.53763 63.546000 Cu 0.582587 0.357894 2.21615e-17 405 63.546 0.000203918 -3.53973 63.546000 Cu 0.531363 0.388081 2.52428e-17 429 63.546 0.000903126 -3.53813 63.546000 Cu 0.651265 0.401415 1.63812e-17 430 63.546 0.0100494 -3.54265 63.546000 Cu 0.61706 0.379677 0.5 431 63.546 0.00246262 -3.54034 63.546000 Cu 0.565482 0.410009 0.5 432 63.546 0.00512815 -3.53935 63.546000 Cu 0.703047 0.371032 9.77626e-18 433 63.546 0.00365381 -3.54135 63.546000 Cu 0.737691 0.392511 0.5 436 63.546 0.00444284 -3.54245 63.546000 Cu 0.996922 0.366268 6.1454e-17 369 63.546 0.00136136 -3.53899 63.546000 Cu 0.910909 0.374806 0.5 371 63.546 0.00322084 -3.53821 63.546000 Cu 0.94587 0.39637 2.68922e-17 392 63.546 0.00358947 -3.53783 63.546000 Cu 0.824461 0.383543 2.07821e-17 434 63.546 0.0015126 -3.53949 63.546000 Cu 0.789343 0.362212 0.5 435 63.546 0.000963334 -3.54083 63.546000 Cu 0.875732 0.35339 1.49943e-20 437 63.546 0.000481329 -3.5396 63.546000 Cu 0.859877 0.404801 0.5 457 63.546 0.0122407 -3.53521 63.546000 Cu 0.0148316 0.440316 2.24914e-20 417 63.546 0.0107292 -3.52656 63.546000 Cu 0.133295 0.453905 9.77626e-18 418 63.546 0.438204 -3.50086 63.546000 Cu 0.0995668 0.431785 0.5 419 63.546 0.0258526 -3.53666 63.546000 Cu 0.0492647 0.462655 0.5 420 63.546 0.592734 -3.46007 63.546000 Cu 0.185867 0.422878 1.78057e-17 421 63.546 0.0273159 -3.54501 63.546000 Cu 0.22008 0.443712 0.5 424 63.546 0.0509215 -3.51691 63.546000 Cu 0.309296 0.434536 9.77626e-18 422 63.546 0.070598 -3.52284 63.546000 Cu 0.27297 0.41367 0.5 423 63.546 0.00660321 -3.54028 63.546000 Cu 0.480381 0.418211 2.69897e-19 426 63.546 0.00650916 -3.53349 63.546000 Cu 0.395038 0.426487 0.5 428 63.546 0.0141859 -3.53875 63.546000 Cu 0.258188 0.463425 5.24799e-20 443 63.546 1.32265 -3.39338 63.546000 Cu 0.342627 0.456311 0.5 445 63.546 0.352399 -3.49269 63.546000 Cu 0.430344 0.448141 3.1488e-19 447 63.546 0.0771036 -3.51977 63.546000 Cu 0.549092 0.462883 2.0992e-19 448 63.546 0.573627 -3.46249 63.546000 Cu 0.514513 0.440547 0.5 449 63.546 0.0147127 -3.52639 63.546000 Cu 0.599261 0.43197 1.65012e-17 451 63.546 0.0321916 -3.537 63.546000 Cu 0.720111 0.443717 1.72434e-19 452 63.546 0.0488982 -3.51694 63.546000 Cu 0.685571 0.422971 0.5 453 63.546 0.0291565 -3.54455 63.546000 Cu 0.633228 0.454011 0.5 454 63.546 0.428129 -3.50143 63.546000 Cu 0.842772 0.456252 3.95849e-18 18 63.546 0.346302 -3.49173 63.546000 Cu 0.758432 0.463432 0.5 229 63.546 1.28417 -3.39502 63.546000 Cu 0.980556 0.418083 0.5 395 63.546 0.00628183 -3.53389 63.546000 Cu 0.930467 0.447983 0.5 416 63.546 0.0744262 -3.52013 63.546000 Cu 0.772851 0.413683 4.49828e-19 455 63.546 0.00671114 -3.53997 63.546000 Cu 0.895084 0.426407 6.74742e-20 456 63.546 0.0128241 -3.53904 63.546000 Cu 0.809205 0.434489 0.5 458 63.546 0.0699075 -3.52316 63.546000 Cu 0.0517199 0.519588 0.5 3 63.546 0.537785 -3.46968 63.546000 Cu 0.170043 0.508195 0.5 20 63.546 2.00122 -3.42859 63.546000 Cu 0.0860191 0.491358 5.99771e-18 440 63.546 10.1328 -3.52765 63.546000 Cu 0.215493 0.491223 1.49268e-17 441 63.546 10.6374 -3.15606 63.546000 Cu 0.1674 0.47445 0.5 442 63.546 2.32979 -3.43676 63.546000 Cu 0.136281 0.528505 1.72434e-19 19 63.546 0.413395 -3.5022 63.546000 Cu 0.462834 0.471111 0.5 450 63.546 2.15378 -3.47315 63.546000 Cu 0.378596 0.506467 1.90052e-17 4 63.546 9.20347 -3.32029 63.546000 Cu 0.466218 0.511918 0.5 6 63.546 1.93435 -3.46965 63.546000 Cu 0.261337 0.518904 2.62175e-17 21 63.546 0.884558 -3.42159 63.546000 Cu 0.345963 0.526472 0.5 23 63.546 0.261419 -3.49707 63.546000 Cu 0.374779 0.476487 5.31172e-17 444 63.546 9.2589 -3.32482 63.546000 Cu 0.30334 0.49191 0.5 446 63.546 8.08123 -3.53932 63.546000 Cu 0.494696 0.491355 5.24799e-20 459 63.546 10.5623 -3.31646 63.546000 Cu 0.552123 0.519738 1.5744e-19 5 63.546 0.553575 -3.46817 63.546000 Cu 0.670005 0.508179 9.77626e-18 7 63.546 2.03859 -3.42926 63.546000 Cu 0.715456 0.491202 0.5 222 63.546 10.68 -3.15385 63.546000 Cu 0.66764 0.474419 1.26724e-16 233 63.546 2.29507 -3.43493 63.546000 Cu 0.585992 0.491349 0.5 460 63.546 10.2227 -3.52867 63.546000 Cu 0.636601 0.528591 0.5 10 63.546 0.411988 -3.50158 63.546000 Cu 0.963194 0.470866 3.47867e-17 415 63.546 2.15033 -3.47216 63.546000 Cu 0.875096 0.476343 0.5 1 63.546 9.2589 -3.32568 63.546000 Cu 0.878515 0.506379 0.5 2 63.546 9.20614 -3.32011 63.546000 Cu 0.761417 0.51884 0.5 9 63.546 0.874265 -3.42059 63.546000 Cu 0.845952 0.526377 3.07457e-17 11 63.546 0.256675 -3.49667 63.546000 Cu 0.803246 0.491819 1.0496e-19 232 63.546 8.10566 -3.541 63.546000 Cu 0.965983 0.511737 5.218e-18 438 63.546 1.93874 -3.46928 63.546000 Cu 0.994795 0.491167 0.5 439 63.546 10.5901 -3.31793 63.546000 Cu 0.0182801 0.542153 4.02821e-17 15 63.546 0.012644 -3.52641 63.546000 Cu 0.070085 0.572615 1.4297e-17 16 63.546 0.00401387 -3.53912 63.546000 Cu 0.223557 0.538734 0.5 24 63.546 0.0407921 -3.5189 63.546000 Cu 0.103069 0.550572 0.5 41 63.546 0.0354473 -3.53723 63.546000 Cu 0.189627 0.559527 1.76183e-18 42 63.546 0.0313461 -3.54382 63.546000 Cu 0.156033 0.581131 0.5 45 63.546 0.0104526 -3.54281 63.546000 Cu 0.31278 0.547985 9.77626e-18 22 63.546 0.0497478 -3.52626 63.546000 Cu 0.434254 0.534754 3.11806e-17 25 63.546 0.0936188 -3.5204 63.546000 Cu 0.485226 0.564562 2.54902e-19 26 63.546 0.0120178 -3.53368 63.546000 Cu 0.399253 0.556215 0.5 28 63.546 0.0152587 -3.53977 63.546000 Cu 0.277125 0.568789 0.5 44 63.546 0.00580156 -3.53942 63.546000 Cu 0.364496 0.577678 3.24026e-17 46 63.546 0.00813985 -3.53578 63.546000 Cu 0.450902 0.586199 0.5 48 63.546 0.00489798 -3.53783 63.546000 Cu 0.723664 0.538731 8.99656e-20 8 63.546 0.040555 -3.52013 63.546000 Cu 0.518806 0.542294 0.5 27 63.546 0.0118565 -3.52667 63.546000 Cu 0.603577 0.550699 2.84891e-19 29 63.546 0.0293965 -3.53649 63.546000 Cu 0.656429 0.581253 1.27451e-19 30 63.546 0.00841503 -3.54239 63.546000 Cu 0.689871 0.559596 0.5 31 63.546 0.030309 -3.54352 63.546000 Cu 0.570636 0.572756 0.5 32 63.546 0.00259941 -3.53889 63.546000 Cu 0.898917 0.556177 2.73195e-17 12 63.546 0.0151255 -3.53945 63.546000 Cu 0.933934 0.534645 0.5 13 63.546 0.092527 -3.51911 63.546000 Cu 0.812695 0.547953 0.5 14 63.546 0.0483373 -3.52702 63.546000 Cu 0.984725 0.564472 0.5 17 63.546 0.0103481 -3.53312 63.546000 Cu 0.777189 0.568813 8.99656e-20 33 63.546 0.00538159 -3.53964 63.546000 Cu 0.864339 0.577699 0.5 35 63.546 0.0089543 -3.53605 63.546000 Cu 0.950495 0.586183 4.90837e-17 37 63.546 0.00505584 -3.53769 63.546000 Cu 0.00262518 0.616244 7.25722e-18 38 63.546 0.00172263 -3.53864 63.546000 Cu 0.036522 0.59456 0.5 39 63.546 0.00173109 -3.53826 63.546000 Cu 0.242714 0.589975 2.3586e-17 43 63.546 0.00564055 -3.5421 63.546000 Cu 0.0549688 0.646354 2.39908e-19 62 63.546 0.000541543 -3.5389 63.546000 Cu 0.122541 0.602928 6.0097e-17 64 63.546 0.00149723 -3.54049 63.546000 Cu 0.175025 0.633209 2.02423e-19 65 63.546 0.000505387 -3.54021 63.546000 Cu 0.208803 0.611517 0.5 66 63.546 0.00293914 -3.54144 63.546000 Cu 0.0888908 0.624702 0.5 67 63.546 0.00041363 -3.53916 63.546000 Cu 0.416418 0.607661 4.42331e-19 47 63.546 0.0015669 -3.53827 63.546000 Cu 0.329639 0.598892 0.5 49 63.546 0.000988013 -3.5392 63.546000 Cu 0.295327 0.620275 3.82354e-19 68 63.546 0.00137757 -3.54101 63.546000 Cu 0.381959 0.62906 0.5 70 63.546 0.000223067 -3.53986 63.546000 Cu 0.261326 0.641842 0.5 71 63.546 0.000708918 -3.54072 63.546000 Cu 0.468524 0.637789 1.17705e-17 72 63.546 0.000392574 -3.53897 63.546000 Cu 0.742797 0.590065 0.5 36 63.546 0.00565675 -3.54234 63.546000 Cu 0.536988 0.594657 9.77626e-18 50 63.546 0.00264513 -3.53838 63.546000 Cu 0.588902 0.624847 9.77626e-18 51 63.546 0.000843085 -3.53871 63.546000 Cu 0.62279 0.603098 0.5 52 63.546 0.000581051 -3.54022 63.546000 Cu 0.502778 0.616298 0.5 53 63.546 0.00184589 -3.5386 63.546000 Cu 0.708753 0.61167 7.49713e-21 54 63.546 0.00239865 -3.54113 63.546000 Cu 0.675003 0.633373 0.5 57 63.546 0.00022661 -3.53976 63.546000 Cu 0.554932 0.646441 0.5 74 63.546 0.000581128 -3.53899 63.546000 Cu 0.829452 0.598982 7.14477e-17 34 63.546 0.000940071 -3.53981 63.546000 Cu 0.916209 0.60772 0.5 40 63.546 0.00265261 -3.53846 63.546000 Cu 0.761336 0.641963 3.51316e-17 55 63.546 0.000590193 -3.54047 63.546000 Cu 0.795136 0.620383 0.5 56 63.546 0.00176812 -3.54091 63.546000 Cu 0.881872 0.629134 1.83605e-17 58 63.546 0.000274093 -3.5398 63.546000 Cu 0.968563 0.637791 0.5 60 63.546 0.00071825 -3.53896 63.546000 Cu 0.0208331 0.667924 0.5 63 63.546 0.00014387 -3.53947 63.546000 Cu 0.0729734 0.698122 0.5 86 63.546 5.66684e-05 -3.53999 63.546000 Cu 0.107195 0.676521 4.1699e-17 88 63.546 0.000137268 -3.5396 63.546000 Cu 0.141212 0.654893 0.5 89 63.546 0.000120471 -3.53936 63.546000 Cu 0.227462 0.663472 1.09383e-17 90 63.546 0.000164978 -3.53985 63.546000 Cu 0.193467 0.685098 0.5 93 63.546 8.43492e-05 -3.53978 63.546000 Cu 0.347786 0.650546 1.52941e-17 69 63.546 0.000344601 -3.54034 63.546000 Cu 0.434345 0.659268 0.5 75 63.546 2.10357e-05 -3.53977 63.546000 Cu 0.27972 0.693692 9.77626e-18 91 63.546 0.000177083 -3.53995 63.546000 Cu 0.313804 0.6721 0.5 92 63.546 0.000275444 -3.53991 63.546000 Cu 0.400203 0.680773 0 94 63.546 0.000178784 -3.53983 63.546000 Cu 0.486621 0.689474 0.5 96 63.546 5.31758e-05 -3.53983 63.546000 Cu 0.365979 0.702323 0.5 97 63.546 0.000234014 -3.54006 63.546000 Cu 0.520859 0.66797 0 73 63.546 0.000189472 -3.53966 63.546000 Cu 0.641317 0.655034 9.77626e-18 76 63.546 0.000332248 -3.53952 63.546000 Cu 0.693627 0.685243 5.04182e-17 77 63.546 0.000246426 -3.53978 63.546000 Cu 0.72762 0.663607 0.5 78 63.546 0.000127057 -3.54001 63.546000 Cu 0.607308 0.67663 0.5 79 63.546 0.000423606 -3.53974 63.546000 Cu 0.573017 0.698169 3.74857e-20 98 63.546 0.000123798 -3.53977 63.546000 Cu 0.934384 0.659289 2.31886e-17 59 63.546 0.000121152 -3.53976 63.546000 Cu 0.847831 0.650616 0.5 61 63.546 0.000470089 -3.54035 63.546000 Cu 0.813932 0.67221 3.87602e-18 80 63.546 0.000192242 -3.54035 63.546000 Cu 0.866133 0.702455 2.32411e-19 81 63.546 4.97389e-05 -3.54013 63.546000 Cu 0.900268 0.680847 0.5 82 63.546 0.00010951 -3.5403 63.546000 Cu 0.779885 0.693844 0.5 83 63.546 9.38271e-05 -3.53999 63.546000 Cu 0.986634 0.689494 8.59921e-18 84 63.546 2.99989e-05 -3.54014 63.546000 Cu 0.0386853 0.719716 3.37371e-19 85 63.546 2.55191e-05 -3.53998 63.546000 Cu 0.00433388 0.741307 0.5 108 63.546 1.77656e-05 -3.54 63.546000 Cu 0.159244 0.706724 7.50463e-18 111 63.546 4.38455e-05 -3.53992 63.546000 Cu 0.211093 0.736935 4.49828e-20 112 63.546 5.53827e-06 -3.53979 63.546000 Cu 0.245449 0.715314 0.5 113 63.546 2.70501e-05 -3.53996 63.546000 Cu 0.124916 0.728334 0.5 114 63.546 2.85566e-05 -3.53985 63.546000 Cu 0.0905487 0.749937 1.12832e-17 134 63.546 2.61144e-05 -3.54001 63.546000 Cu 0.176725 0.758558 0.5 136 63.546 2.27124e-05 -3.53998 63.546000 Cu 0.452274 0.711 2.47405e-19 95 63.546 0.000106926 -3.54014 63.546000 Cu 0.331634 0.723921 7.5721e-19 115 63.546 8.64491e-05 -3.54005 63.546000 Cu 0.383419 0.754155 2.24914e-19 116 63.546 0.000101299 -3.53986 63.546000 Cu 0.417852 0.732568 0.5 117 63.546 9.27574e-05 -3.54013 63.546000 Cu 0.297247 0.745536 0.5 118 63.546 2.87474e-05 -3.5398 63.546000 Cu 0.46965 0.76281 0.5 122 63.546 7.64746e-05 -3.54 63.546000 Cu 0.624912 0.728384 1.9545e-17 99 63.546 5.42175e-05 -3.54001 63.546000 Cu 0.659348 0.706826 0.5 100 63.546 0.000147791 -3.53968 63.546000 Cu 0.538595 0.7197 0.5 101 63.546 1.88594e-05 -3.5401 63.546000 Cu 0.745614 0.715449 1.99424e-17 102 63.546 6.58292e-05 -3.53975 63.546000 Cu 0.711192 0.737036 0.5 105 63.546 4.65985e-05 -3.53996 63.546000 Cu 0.504123 0.74125 2.08495e-17 119 63.546 1.65304e-05 -3.54016 63.546000 Cu 0.590428 0.749943 0.5 121 63.546 1.44384e-05 -3.54014 63.546000 Cu 0.676717 0.758617 3.37371e-19 123 63.546 5.44002e-05 -3.54007 63.546000 Cu 0.952412 0.711085 0.5 87 63.546 2.77391e-05 -3.54014 63.546000 Cu 0.797438 0.74566 5.15053e-17 103 63.546 1.23877e-05 -3.53994 63.546000 Cu 0.831858 0.724061 0.5 104 63.546 3.20595e-05 -3.5399 63.546000 Cu 0.918098 0.73268 4.12342e-19 106 63.546 2.81101e-05 -3.53998 63.546000 Cu 0.969888 0.762897 2.39908e-19 107 63.546 1.18901e-05 -3.54004 63.546000 Cu 0.883662 0.754274 0.5 109 63.546 9.56583e-06 -3.53995 63.546000 Cu 0.0561173 0.771534 0.5 110 63.546 2.3458e-05 -3.54019 63.546000 Cu 0.0216002 0.793112 3.49516e-17 131 63.546 2.53897e-05 -3.53988 63.546000 Cu 0.0733045 0.823309 6.74742e-20 132 63.546 8.60653e-05 -3.53977 63.546000 Cu 0.142332 0.780177 4.77867e-17 135 63.546 6.92395e-05 -3.54028 63.546000 Cu 0.228498 0.788806 0.5 140 63.546 5.31028e-05 -3.54015 63.546000 Cu 0.107866 0.80177 0.5 157 63.546 8.59432e-05 -3.54019 63.546000 Cu 0.194099 0.810434 4.00797e-17 158 63.546 0.000228658 -3.54034 63.546000 Cu 0.262867 0.767165 1.38397e-17 137 63.546 3.82089e-06 -3.53987 63.546000 Cu 0.314612 0.797409 6.74742e-20 138 63.546 8.33488e-06 -3.53992 63.546000 Cu 0.348997 0.775769 0.5 139 63.546 6.28804e-05 -3.5398 63.546000 Cu 0.435178 0.784392 6.18513e-17 141 63.546 0.000136517 -3.53982 63.546000 Cu 0.486899 0.814611 3.76356e-17 142 63.546 0.000305428 -3.53958 63.546000 Cu 0.400728 0.806001 0.5 144 63.546 0.000140774 -3.53965 63.546000 Cu 0.28025 0.819069 0.5 160 63.546 0.000154045 -3.5402 63.546000 Cu 0.55594 0.771496 1.41846e-17 120 63.546 3.2928e-06 -3.54015 63.546000 Cu 0.728506 0.788855 2.84891e-19 124 63.546 8.00645e-05 -3.54009 63.546000 Cu 0.642246 0.780188 0.5 126 63.546 4.23547e-05 -3.54023 63.546000 Cu 0.52143 0.793052 0.5 143 63.546 7.05661e-05 -3.53999 63.546000 Cu 0.60775 0.801747 3.52365e-19 145 63.546 2.33554e-05 -3.54026 63.546000 Cu 0.694051 0.810446 0.5 147 63.546 0.000179863 -3.54037 63.546000 Cu 0.573197 0.823275 0.5 148 63.546 0.000121739 -3.5399 63.546000 Cu 0.762964 0.767259 0.5 125 63.546 3.12469e-05 -3.53991 63.546000 Cu 0.849165 0.775873 1.87428e-19 127 63.546 4.84779e-06 -3.53977 63.546000 Cu 0.900851 0.806072 7.7183e-17 128 63.546 6.48318e-05 -3.53951 63.546000 Cu 0.93537 0.784483 0.5 129 63.546 2.47673e-05 -3.53973 63.546000 Cu 0.814694 0.797479 0.5 130 63.546 2.39369e-05 -3.53982 63.546000 Cu 0.987029 0.814667 0.5 133 63.546 0.000172355 -3.53942 63.546000 Cu 0.780264 0.819103 2.32411e-19 149 63.546 0.000181504 -3.54021 63.546000 Cu 0.00393888 0.866403 4.27337e-18 154 63.546 0.00131649 -3.53875 63.546000 Cu 0.0386211 0.844827 0.5 155 63.546 0.000674893 -3.53911 63.546000 Cu 0.245885 0.840709 9.77626e-18 159 63.546 0.000689813 -3.54069 63.546000 Cu 0.159624 0.832006 0.5 161 63.546 0.000245397 -3.54037 63.546000 Cu 0.12497 0.853496 3.49066e-17 180 63.546 0.000309705 -3.53979 63.546000 Cu 0.211403 0.862271 0.5 182 63.546 0.00108099 -3.54104 63.546000 Cu 0.0900814 0.874933 0.5 183 63.546 0.00269191 -3.53793 63.546000 Cu 0.366318 0.827654 4.98184e-17 162 63.546 4.6678e-05 -3.53972 63.546000 Cu 0.417936 0.857887 9.77626e-18 163 63.546 0.000241689 -3.53935 63.546000 Cu 0.452373 0.836212 0.5 164 63.546 0.000423403 -3.53932 63.546000 Cu 0.331989 0.849347 0.5 165 63.546 0.000435478 -3.54025 63.546000 Cu 0.297682 0.871036 9.77626e-18 184 63.546 0.00241203 -3.54132 63.546000 Cu 0.383658 0.87966 0.5 186 63.546 0.00119599 -3.54033 63.546000 Cu 0.659555 0.831996 4.72319e-19 146 63.546 0.000165191 -3.54044 63.546000 Cu 0.745858 0.840719 0.5 152 63.546 0.000642882 -3.54073 63.546000 Cu 0.538542 0.844795 1.79931e-19 166 63.546 0.000812674 -3.5392 63.546000 Cu 0.590038 0.874916 5.24799e-19 167 63.546 0.00284332 -3.53799 63.546000 Cu 0.624907 0.853479 0.5 168 63.546 0.000326509 -3.53984 63.546000 Cu 0.503894 0.866379 0.5 169 63.546 0.00142267 -3.53879 63.546000 Cu 0.711364 0.862268 2.17417e-19 170 63.546 0.000975304 -3.54106 63.546000 Cu 0.831999 0.84937 9.77626e-18 150 63.546 0.000473709 -3.54028 63.546000 Cu 0.866376 0.827698 0.5 151 63.546 6.25945e-05 -3.53969 63.546000 Cu 0.952452 0.836253 6.2856e-17 153 63.546 0.000333687 -3.53924 63.546000 Cu 0.91797 0.857913 0.5 156 63.546 0.000247711 -3.53935 63.546000 Cu 0.797668 0.871043 0.5 172 63.546 0.00237031 -3.54134 63.546000 Cu 0.883664 0.879673 6.59748e-19 174 63.546 0.00123965 -3.54034 63.546000 Cu 0.0552227 0.896494 3.21102e-17 178 63.546 0.00436456 -3.53765 63.546000 Cu 0.0205703 0.918253 0.5 179 63.546 0.00616412 -3.53411 63.546000 Cu 0.176591 0.883669 1.10538e-16 181 63.546 0.00126292 -3.53956 63.546000 Cu 0.10597 0.926553 6.41155e-17 204 63.546 0.0142597 -3.53853 63.546000 Cu 0.141187 0.904926 0.5 205 63.546 0.012867 -3.53485 63.546000 Cu 0.228242 0.913832 9.77626e-18 206 63.546 0.0071812 -3.54026 63.546000 Cu 0.191803 0.934615 0.5 209 63.546 0.0782536 -3.52114 63.546000 Cu 0.34951 0.901445 9.77626e-18 185 63.546 0.0078398 -3.54235 63.546000 Cu 0.26322 0.892607 0.5 187 63.546 0.00538319 -3.54261 63.546000 Cu 0.469396 0.888093 1.64937e-19 188 63.546 0.00108638 -3.53857 63.546000 Cu 0.435301 0.910006 0.5 191 63.546 0.00310145 -3.53963 63.546000 Cu 0.315393 0.923088 0.5 208 63.546 0.0325843 -3.54468 63.546000 Cu 0.401593 0.931962 6.19338e-17 210 63.546 0.0248281 -3.53585 63.546000 Cu 0.486395 0.940534 0.5 212 63.546 0.0119805 -3.52522 63.546000 Cu 0.676558 0.88366 0.5 173 63.546 0.00125916 -3.53958 63.546000 Cu 0.520562 0.918246 3.59862e-19 189 63.546 0.00617003 -3.53414 63.546000 Cu 0.5552 0.896482 0.5 190 63.546 0.00447084 -3.5377 63.546000 Cu 0.641166 0.904918 4.72319e-19 192 63.546 0.0130351 -3.53491 63.546000 Cu 0.691793 0.934611 4.37083e-18 193 63.546 0.0783888 -3.5212 63.546000 Cu 0.728226 0.913828 0.5 194 63.546 0.00714566 -3.54027 63.546000 Cu 0.605959 0.926547 0.5 195 63.546 0.0143365 -3.53857 63.546000 Cu 0.7632 0.892605 3.82354e-19 171 63.546 0.00524599 -3.54261 63.546000 Cu 0.935304 0.910013 6.07268e-19 175 63.546 0.00314452 -3.53964 63.546000 Cu 0.969414 0.888107 0.5 176 63.546 0.00108189 -3.53855 63.546000 Cu 0.849503 0.901449 0.5 177 63.546 0.00780299 -3.54236 63.546000 Cu 0.815384 0.923088 4.12342e-19 196 63.546 0.0324172 -3.54468 63.546000 Cu 0.901591 0.931964 0.5 198 63.546 0.0248317 -3.53587 63.546000 Cu 0.986397 0.940537 3.07382e-19 200 63.546 0.0120036 -3.52524 63.546000 Cu 0.0377473 0.971249 9.77626e-18 201 63.546 2.36472 -3.46877 63.546000 Cu 0.0706801 0.94819 0.5 202 63.546 0.0719421 -3.51929 63.546000 Cu 0.00395601 0.991343 0.5 223 63.546 10.6539 -3.31859 63.546000 Cu 0.158169 0.95642 4.51477e-17 224 63.546 0.398823 -3.49078 63.546000 Cu 0.195707 0.992389 0 225 63.546 7.9245 -3.53649 63.546000 Cu 0.242671 0.96348 0.5 226 63.546 1.53351 -3.38147 63.546000 Cu 0.125886 0.976599 0.5 227 63.546 9.3075 -3.32535 63.546000 Cu 0.412656 0.992771 0.5 249 63.546 9.39731 -3.52566 63.546000 Cu 0.281156 0.94391 1.51967e-17 207 63.546 0.0589639 -3.51441 63.546000 Cu 0.451787 0.962725 5.98946e-17 211 63.546 0.830854 -3.44052 63.546000 Cu 0.36769 0.954166 0.5 213 63.546 0.558496 -3.49356 63.546000 Cu 0.334042 0.974877 4.36408e-17 228 63.546 2.78815 -3.43728 63.546000 Cu 0.283468 0.991375 0.5 230 63.546 10.2294 -3.15843 63.546000 Cu 0.570676 0.948187 2.47405e-19 214 63.546 0.0719467 -3.5193 63.546000 Cu 0.625884 0.976597 9.77626e-18 215 63.546 9.30758 -3.32536 63.546000 Cu 0.658163 0.956417 0.5 216 63.546 0.398752 -3.49078 63.546000 Cu 0.537746 0.971248 0.5 217 63.546 2.36456 -3.46876 63.546000 Cu 0.742666 0.963478 9.77626e-18 218 63.546 1.53365 -3.38151 63.546000 Cu 0.695707 0.992388 0.5 221 63.546 7.92423 -3.53649 63.546000 Cu 0.503956 0.991342 9.77626e-18 231 63.546 10.6534 -3.3186 63.546000 Cu 0.912655 0.992771 6.05019e-18 234 63.546 9.39749 -3.52567 63.546000 Cu 0.867686 0.954165 5.99771e-19 197 63.546 0.558328 -3.49356 63.546000 Cu 0.781149 0.943908 0.5 199 63.546 0.0588931 -3.51441 63.546000 Cu 0.951785 0.962726 0.5 203 63.546 0.830899 -3.44055 63.546000 Cu 0.783468 0.991373 9.77626e-18 219 63.546 10.2292 -3.15843 63.546000 Cu 0.834038 0.974876 0.5 220 63.546 2.78798 -3.43723