Number of particles = 464 A = 1 Angstrom (basic length-scale) H0(1,1) = 19.4779 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 78.4465 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60774 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 0.0691822 0.00656643 2.13971e-17 233 63.546 10.3666 -3.29198 63.546000 Cu 0.161318 0.0064805 0.5 235 63.546 8.41583 -3.44845 63.546000 Cu 0.0161534 0.0437303 3.55817e-17 237 63.546 0.395693 -3.47464 63.546000 Cu 0.0993261 0.0342791 0.5 239 63.546 0.697722 -3.4527 63.546000 Cu 0.185423 0.0274293 5.60171e-17 241 63.546 2.55601 -3.42823 63.546000 Cu 0.218634 0.0496454 0.5 244 63.546 0.147362 -3.52646 63.546000 Cu 0.307154 0.0405816 1.62762e-16 242 63.546 0.308483 -3.49585 63.546000 Cu 0.273852 0.0213943 0.5 243 63.546 9.11662 -3.39863 63.546000 Cu 0.349772 0.00644112 1.08188e-18 245 63.546 8.37913 -3.34278 63.546000 Cu 0.483335 0.0233881 1 246 63.546 2.50866 -3.38555 63.546000 Cu 0.440742 0.00644064 0.5 247 63.546 11.6783 -3.3359 63.546000 Cu 0.390537 0.0332444 0.5 248 63.546 0.872091 -3.41287 63.546000 Cu 0.66165 0.00644347 1 249 63.546 8.40133 -3.44826 63.546000 Cu 0.569381 0.00653663 0.5 250 63.546 10.3587 -3.29463 63.546000 Cu 0.516208 0.0436458 0.5 264 63.546 0.393405 -3.47469 63.546000 Cu 0.599522 0.0342063 3.1134e-17 266 63.546 0.697867 -3.45336 63.546000 Cu 0.718802 0.0496107 1.85121e-17 267 63.546 0.146009 -3.52622 63.546000 Cu 0.685733 0.0273798 0.5 268 63.546 2.55065 -3.42796 63.546000 Cu 0.940583 0.00644641 3.55456e-16 232 63.546 11.6796 -3.33684 63.546000 Cu 0.983195 0.0234201 0.5 234 63.546 2.4911 -3.38688 63.546000 Cu 0.774131 0.0213886 1 270 63.546 9.12191 -3.39918 63.546000 Cu 0.890612 0.0333166 1 271 63.546 0.886782 -3.41329 63.546000 Cu 0.849849 0.00644582 0.5 272 63.546 8.38356 -3.34121 63.546000 Cu 0.807315 0.0405845 0.5 273 63.546 0.313982 -3.49531 63.546000 Cu 0.133818 0.056701 7.32069e-17 238 63.546 0.046441 -3.53295 63.546000 Cu 0.049233 0.0653654 0.5 240 63.546 0.0193971 -3.5373 63.546000 Cu 0.0826788 0.0870631 1 254 63.546 0.0033595 -3.53907 63.546000 Cu 0.202787 0.100259 1.05303e-16 255 63.546 0.00310247 -3.53987 63.546000 Cu 0.167895 0.078972 0.5 256 63.546 0.0230505 -3.53665 63.546000 Cu 0.428545 0.052838 2.13971e-17 262 63.546 0.0442017 -3.53316 63.546000 Cu 0.254571 0.0703841 1 258 63.546 0.0255112 -3.53837 63.546000 Cu 0.376271 0.0829921 1 259 63.546 0.0092904 -3.53774 63.546000 Cu 0.340203 0.0625217 0.5 260 63.546 0.0952611 -3.53303 63.546000 Cu 0.288846 0.0919482 0.5 261 63.546 0.0160847 -3.53811 63.546000 Cu 0.46305 0.073879 0.5 265 63.546 0.0284914 -3.53839 63.546000 Cu 0.410606 0.104128 0.5 284 63.546 0.00459387 -3.53931 63.546000 Cu 0.496952 0.0954012 1.05423e-16 286 63.546 0.00640146 -3.53953 63.546000 Cu 0.549294 0.0652595 6.49125e-18 263 63.546 0.0199104 -3.5374 63.546000 Cu 0.633922 0.0566178 0.5 269 63.546 0.0480013 -3.53301 63.546000 Cu 0.582779 0.0869593 0.5 288 63.546 0.00354492 -3.53904 63.546000 Cu 0.667923 0.0789032 1 290 63.546 0.0219671 -3.53649 63.546000 Cu 0.702786 0.100231 0.5 293 63.546 0.00287168 -3.53985 63.546000 Cu 0.928582 0.0529168 0.5 295 63.546 0.0431649 -3.53322 63.546000 Cu 0.996796 0.0955192 0.5 252 63.546 0.00523122 -3.53951 63.546000 Cu 0.963016 0.0739734 4.56792e-17 236 63.546 0.0273391 -3.53835 63.546000 Cu 0.788798 0.091965 2.13971e-17 291 63.546 0.0156085 -3.53814 63.546000 Cu 0.754593 0.0703728 0.5 292 63.546 0.0250239 -3.53835 63.546000 Cu 0.840257 0.0625538 3.01723e-17 294 63.546 0.0945318 -3.53285 63.546000 Cu 0.876159 0.0830624 0.5 296 63.546 0.00890325 -3.53784 63.546000 Cu 0.910411 0.104225 2.13971e-17 319 63.546 0.00399117 -3.5393 63.546000 Cu 0.0306039 0.117073 1 251 63.546 0.00124801 -3.53981 63.546000 Cu 0.116551 0.108777 0.5 257 63.546 0.00352818 -3.53971 63.546000 Cu 0.0647358 0.138642 0.5 276 63.546 0.000619234 -3.53994 63.546000 Cu 0.150919 0.130151 1.46654e-17 278 63.546 0.00101474 -3.53996 63.546000 Cu 0.237203 0.12167 0.5 280 63.546 0.00288985 -3.53967 63.546000 Cu 0.185401 0.151522 0.5 281 63.546 0.000820914 -3.53992 63.546000 Cu 0.271918 0.142864 1 279 63.546 0.000194521 -3.53985 63.546000 Cu 0.323975 0.112923 1.2129e-16 282 63.546 0.0013921 -3.53954 63.546000 Cu 0.444835 0.125501 2.13971e-17 283 63.546 0.00197526 -3.53983 63.546000 Cu 0.358443 0.134169 0.5 285 63.546 0.000916125 -3.53983 63.546000 Cu 0.392783 0.155508 1.20208e-19 307 63.546 0.00079723 -3.53993 63.546000 Cu 0.47895 0.146965 0.5 309 63.546 0.00052238 -3.53994 63.546000 Cu 0.616655 0.108693 1 287 63.546 0.00293871 -3.53963 63.546000 Cu 0.530836 0.116956 0.5 289 63.546 0.00170368 -3.53979 63.546000 Cu 0.564991 0.138542 1.12275e-16 311 63.546 0.000392802 -3.53989 63.546000 Cu 0.685523 0.151532 1 312 63.546 0.000777309 -3.53993 63.546000 Cu 0.65106 0.130105 0.5 313 63.546 0.000788988 -3.53992 63.546000 Cu 0.737179 0.121683 1 315 63.546 0.00290005 -3.53969 63.546000 Cu 0.944536 0.125625 0.5 253 63.546 0.00129637 -3.53981 63.546000 Cu 0.978674 0.147106 2.13971e-17 274 63.546 0.000208558 -3.53992 63.546000 Cu 0.858228 0.134276 1.66008e-16 316 63.546 0.000652927 -3.53986 63.546000 Cu 0.823823 0.112989 0.5 317 63.546 0.00139707 -3.53964 63.546000 Cu 0.77188 0.14293 0.5 318 63.546 0.000298645 -3.53993 63.546000 Cu 0.892571 0.155665 0.5 342 63.546 0.000373404 -3.53992 63.546000 Cu 0.0991151 0.160051 1 275 63.546 0.000354049 -3.53998 63.546000 Cu 0.0129335 0.168581 0.5 277 63.546 0.000118085 -3.53998 63.546000 Cu 0.0472425 0.189999 3.00521e-17 299 63.546 0.000246712 -3.53998 63.546000 Cu 0.168019 0.202736 7.82556e-17 300 63.546 4.21581e-05 -3.53995 63.546000 Cu 0.133543 0.181419 0.5 301 63.546 0.000268409 -3.53996 63.546000 Cu 0.219971 0.172796 2.13971e-17 303 63.546 5.49465e-05 -3.53992 63.546000 Cu 0.340764 0.18548 1 304 63.546 0.000273764 -3.53996 63.546000 Cu 0.306403 0.164147 0.5 305 63.546 0.000241573 -3.53992 63.546000 Cu 0.2544 0.194094 0.5 306 63.546 7.61117e-05 -3.53995 63.546000 Cu 0.427034 0.17692 0.5 310 63.546 0.000300744 -3.53998 63.546000 Cu 0.375166 0.206848 0.5 330 63.546 0.000251931 -3.53998 63.546000 Cu 0.461339 0.198338 2.13971e-17 332 63.546 0.000102937 -3.53998 63.546000 Cu 0.51321 0.168437 3.51008e-17 308 63.546 4.13045e-05 -3.53997 63.546000 Cu 0.599355 0.15998 0.5 314 63.546 0.000125627 -3.53996 63.546000 Cu 0.547527 0.189876 0.5 334 63.546 1.07519e-05 -3.53998 63.546000 Cu 0.633721 0.181408 9.1719e-17 336 63.546 0.000147515 -3.53997 63.546000 Cu 0.720029 0.172876 0.5 338 63.546 0.000171101 -3.53998 63.546000 Cu 0.668051 0.202806 0.5 339 63.546 6.24904e-05 -3.53999 63.546000 Cu 0.960978 0.198554 0.5 298 63.546 9.66861e-05 -3.53997 63.546000 Cu 0.754292 0.19427 1 337 63.546 4.04345e-05 -3.53997 63.546000 Cu 0.806319 0.164288 3.84667e-18 340 63.546 0.000150154 -3.53995 63.546000 Cu 0.926784 0.177116 7.48898e-17 341 63.546 4.99556e-05 -3.53995 63.546000 Cu 0.840566 0.185689 0.5 343 63.546 4.61066e-05 -3.53994 63.546000 Cu 0.874768 0.20712 8.41458e-18 365 63.546 1.25053e-05 -3.53995 63.546000 Cu 0.0816644 0.211352 0.5 302 63.546 0.00015523 -3.53996 63.546000 Cu 0.0638524 0.262576 1.22011e-16 321 63.546 6.78683e-05 -3.53985 63.546000 Cu 0.0295908 0.241285 0.5 322 63.546 0.000130173 -3.53991 63.546000 Cu 0.116073 0.23266 0 324 63.546 6.65999e-05 -3.53991 63.546000 Cu 0.236948 0.245324 1 325 63.546 0.000178522 -3.53993 63.546000 Cu 0.202555 0.224023 0.5 326 63.546 0.000103209 -3.53993 63.546000 Cu 0.150455 0.253926 0.5 327 63.546 7.67916e-05 -3.53988 63.546000 Cu 0.288879 0.21542 3.61827e-17 328 63.546 0.000150761 -3.53997 63.546000 Cu 0.40959 0.228243 2.13971e-17 329 63.546 0.00019719 -3.53998 63.546000 Cu 0.323368 0.236754 0.5 331 63.546 0.000380732 -3.53997 63.546000 Cu 0.357643 0.258127 2.13971e-17 353 63.546 0.000303647 -3.53996 63.546000 Cu 0.443881 0.249659 0.5 355 63.546 0.000166926 -3.53998 63.546000 Cu 0.495736 0.219766 0.5 335 63.546 3.61156e-05 -3.53997 63.546000 Cu 0.581862 0.211296 2.13971e-17 333 63.546 2.35551e-05 -3.53998 63.546000 Cu 0.530039 0.241204 2.13971e-17 357 63.546 0.000101429 -3.53998 63.546000 Cu 0.650264 0.254196 1 358 63.546 9.4213e-05 -3.53995 63.546000 Cu 0.616143 0.232734 0.5 359 63.546 5.95416e-05 -3.53998 63.546000 Cu 0.564103 0.262669 0.5 360 63.546 5.35504e-05 -3.53997 63.546000 Cu 0.702298 0.22423 2.40417e-19 361 63.546 5.53356e-05 -3.53998 63.546000 Cu 0.736428 0.245675 0.5 364 63.546 9.55214e-05 -3.53993 63.546000 Cu 0.995307 0.219954 2.00748e-17 297 63.546 0.000208112 -3.53996 63.546000 Cu 0.943131 0.249914 1.08308e-16 320 63.546 0.000193321 -3.53989 63.546000 Cu 0.822661 0.237117 2.18779e-17 362 63.546 8.44811e-05 -3.53992 63.546000 Cu 0.788497 0.215684 0.5 363 63.546 1.69286e-05 -3.53995 63.546000 Cu 0.908939 0.228539 0.5 366 63.546 0.000131962 -3.53994 63.546000 Cu 0.856715 0.258538 0.5 388 63.546 0.000237316 -3.53986 63.546000 Cu 0.011543 0.292498 3.57019e-17 345 63.546 0.000143418 -3.53979 63.546000 Cu 0.132628 0.305034 4.12315e-17 346 63.546 0.000375125 -3.53981 63.546000 Cu 0.0981885 0.28382 0.5 347 63.546 8.46784e-05 -3.53982 63.546000 Cu 0.0460093 0.313697 0.5 348 63.546 0.000135589 -3.53975 63.546000 Cu 0.184778 0.275193 5.56565e-17 349 63.546 0.000222013 -3.53987 63.546000 Cu 0.219139 0.296464 0.5 352 63.546 0.000552287 -3.53987 63.546000 Cu 0.305552 0.287964 2.13971e-17 350 63.546 0.00061602 -3.53992 63.546000 Cu 0.271288 0.266632 0.5 351 63.546 0.000344601 -3.53993 63.546000 Cu 0.477986 0.271105 2.13971e-17 354 63.546 0.000116279 -3.53997 63.546000 Cu 0.391812 0.279528 0.5 356 63.546 0.000295544 -3.53996 63.546000 Cu 0.339732 0.309367 0.5 376 63.546 0.000596706 -3.53991 63.546000 Cu 0.425883 0.300989 1 378 63.546 0.000232398 -3.53995 63.546000 Cu 0.545847 0.314139 2.89702e-17 379 63.546 0.000125581 -3.53989 63.546000 Cu 0.511968 0.292596 0.5 380 63.546 7.98656e-05 -3.53995 63.546000 Cu 0.598069 0.284171 2.80085e-17 382 63.546 8.31547e-05 -3.53993 63.546000 Cu 0.718076 0.297189 2.13971e-17 383 63.546 0.000635039 -3.53979 63.546000 Cu 0.684187 0.275685 0.5 384 63.546 0.000149213 -3.53989 63.546000 Cu 0.631921 0.305703 0.5 385 63.546 0.00027957 -3.53984 63.546000 Cu 0.977278 0.271243 0.5 323 63.546 0.000225728 -3.53983 63.546000 Cu 0.770402 0.26714 2.27915e-16 386 63.546 0.000257579 -3.53984 63.546000 Cu 0.890748 0.279915 1 387 63.546 0.000412178 -3.5398 63.546000 Cu 0.804357 0.288578 0.5 389 63.546 0.000582213 -3.53978 63.546000 Cu 0.838417 0.309945 1.29825e-16 410 63.546 0.000705616 -3.5397 63.546000 Cu 0.924957 0.301217 0.5 411 63.546 0.000353949 -3.53975 63.546000 Cu 0.0284273 0.364671 1.95339e-16 367 63.546 0.000752339 -3.53945 63.546000 Cu 0.0805488 0.334867 4.76025e-17 370 63.546 0.000524155 -3.5397 63.546000 Cu 0.201583 0.34753 1 371 63.546 0.00264186 -3.53967 63.546000 Cu 0.167109 0.326267 0.5 372 63.546 0.000949495 -3.53978 63.546000 Cu 0.115124 0.356032 0.5 373 63.546 0.00180918 -3.53959 63.546000 Cu 0.253523 0.317768 4.23133e-17 374 63.546 0.0012417 -3.53984 63.546000 Cu 0.373771 0.330852 9.49646e-18 375 63.546 0.000436562 -3.53989 63.546000 Cu 0.287732 0.339175 0.5 377 63.546 0.00120707 -3.53983 63.546000 Cu 0.459798 0.322517 0.5 381 63.546 0.00017535 -3.53991 63.546000 Cu 0.321641 0.360691 7.90971e-17 398 63.546 0.000798244 -3.53977 63.546000 Cu 0.407544 0.352425 0.5 400 63.546 0.000353616 -3.53982 63.546000 Cu 0.493504 0.344108 1 402 63.546 0.000269368 -3.5398 63.546000 Cu 0.612978 0.357344 1 403 63.546 0.00203446 -3.53945 63.546000 Cu 0.579536 0.335733 0.5 404 63.546 0.000523128 -3.53972 63.546000 Cu 0.526876 0.36579 0.5 405 63.546 0.000885253 -3.53948 63.546000 Cu 0.665667 0.327246 1 406 63.546 0.00108571 -3.53969 63.546000 Cu 0.699367 0.348738 0.5 409 63.546 0.00221776 -3.53939 63.546000 Cu 0.993833 0.34358 0.5 368 63.546 0.000254821 -3.53957 63.546000 Cu 0.959323 0.322434 6.19073e-17 344 63.546 0.000182076 -3.53967 63.546000 Cu 0.785956 0.34001 1.91131e-17 407 63.546 0.00143041 -3.53947 63.546000 Cu 0.751993 0.318641 0.5 408 63.546 0.00110887 -3.53967 63.546000 Cu 0.872625 0.331226 0.5 412 63.546 0.00067018 -3.53957 63.546000 Cu 0.820001 0.361252 0.5 433 63.546 0.00128015 -3.53916 63.546000 Cu 0.906965 0.35239 2.06758e-17 435 63.546 0.000432302 -3.53935 63.546000 Cu 0.0981408 0.406772 4.37558e-17 391 63.546 0.0205561 -3.53752 63.546000 Cu 0.0631168 0.385745 0.5 392 63.546 0.00347006 -3.53915 63.546000 Cu 0.0108295 0.41535 0.5 393 63.546 0.00756285 -3.53778 63.546000 Cu 0.149748 0.377221 1 394 63.546 0.00658184 -3.53915 63.546000 Cu 0.235744 0.368949 0.5 396 63.546 0.00222528 -3.53966 63.546000 Cu 0.184008 0.3987 0.5 397 63.546 0.00442977 -3.53922 63.546000 Cu 0.218007 0.420345 1.27902e-16 419 63.546 0.00282458 -3.53877 63.546000 Cu 0.269677 0.390523 2.93308e-17 395 63.546 0.00136444 -3.53945 63.546000 Cu 0.44102 0.374079 1 399 63.546 0.000497206 -3.5396 63.546000 Cu 0.355257 0.382342 0.5 401 63.546 0.000509079 -3.53959 63.546000 Cu 0.303213 0.412319 0.5 421 63.546 0.00151193 -3.53916 63.546000 Cu 0.388689 0.404038 2.13971e-17 423 63.546 0.00252722 -3.5391 63.546000 Cu 0.474094 0.395883 0.5 425 63.546 0.00170555 -3.53886 63.546000 Cu 0.506835 0.417739 3.67838e-17 424 63.546 0.00795579 -3.53734 63.546000 Cu 0.55995 0.387472 6.43115e-17 427 63.546 0.00323611 -3.53889 63.546000 Cu 0.679598 0.400254 2.13971e-17 428 63.546 0.00472912 -3.53807 63.546000 Cu 0.646292 0.378884 0.5 429 63.546 0.00427321 -3.5388 63.546000 Cu 0.592779 0.409133 0.5 430 63.546 0.00947832 -3.537 63.546000 Cu 0.733051 0.370105 2.13971e-17 431 63.546 0.0025721 -3.53897 63.546000 Cu 0.941448 0.37344 0.5 369 63.546 0.000612536 -3.53915 63.546000 Cu 0.976117 0.394432 2.13971e-17 390 63.546 0.00118427 -3.53886 63.546000 Cu 0.854153 0.382355 2.13971e-17 432 63.546 0.0015123 -3.5386 63.546000 Cu 0.766803 0.39131 0.5 434 63.546 0.0031697 -3.53821 63.546000 Cu 0.800547 0.412293 5.86617e-17 453 63.546 0.00497606 -3.53613 63.546000 Cu 0.888649 0.403221 0.5 455 63.546 0.00228909 -3.53794 63.546000 Cu 0.0461958 0.436033 1.92814e-16 415 63.546 0.0750063 -3.53045 63.546000 Cu 0.165514 0.449948 1.05783e-16 416 63.546 0.0114655 -3.53877 63.546000 Cu 0.132235 0.428333 0.5 417 63.546 0.0105903 -3.53877 63.546000 Cu 0.0792762 0.457908 0.5 418 63.546 0.0541813 -3.5347 63.546000 Cu 0.196389 0.472013 0.5 440 63.546 0.253061 -3.4889 63.546000 Cu 0.337246 0.434008 1 420 63.546 0.0189215 -3.53615 63.546000 Cu 0.251296 0.442331 0.5 422 63.546 0.0215362 -3.53837 63.546000 Cu 0.421677 0.426068 0.5 426 63.546 0.00470381 -3.53684 63.546000 Cu 0.285979 0.463451 2.13971e-17 441 63.546 0.145332 -3.52771 63.546000 Cu 0.37098 0.456609 0.5 443 63.546 0.0534392 -3.53071 63.546000 Cu 0.454554 0.44823 9.0036e-17 445 63.546 0.0230356 -3.53291 63.546000 Cu 0.487416 0.470895 0.5 448 63.546 0.260058 -3.48588 63.546000 Cu 0.572986 0.461069 2.13971e-17 446 63.546 0.0327093 -3.53285 63.546000 Cu 0.539279 0.439738 0.5 447 63.546 0.0342446 -3.53258 63.546000 Cu 0.625701 0.4305 1 449 63.546 0.00736449 -3.53647 63.546000 Cu 0.712867 0.421447 0.5 451 63.546 0.00850719 -3.53618 63.546000 Cu 0.658569 0.451872 0.5 452 63.546 0.0378529 -3.53145 63.546000 Cu 0.745906 0.44239 5.80606e-17 450 63.546 0.0207563 -3.53109 63.546000 Cu 0.691379 0.472774 1.041e-16 459 63.546 0.217027 -3.49962 63.546000 Cu 0.992584 0.464487 1 413 63.546 0.321615 -3.51048 63.546000 Cu 0.956841 0.444707 0.5 414 63.546 0.0260649 -3.53108 63.546000 Cu 0.922997 0.42404 3.08935e-17 454 63.546 0.0026441 -3.53709 63.546000 Cu 0.834815 0.432816 0.5 456 63.546 0.0113298 -3.53509 63.546000 Cu 0.781222 0.462449 0.5 461 63.546 0.0770255 -3.52707 63.546000 Cu 0.868009 0.45354 3.55817e-17 463 63.546 0.0142031 -3.53195 63.546000 Cu 0.0467905 0.506346 6.15467e-17 18 63.546 8.47911 -3.43426 63.546000 Cu 0.142195 0.506406 0.5 20 63.546 8.81552 -3.37213 63.546000 Cu 0.225421 0.521301 2.13971e-17 21 63.546 9.0167 -3.37198 63.546000 Cu 0.0230636 0.486241 0.5 437 63.546 2.41504 -3.41668 63.546000 Cu 0.111138 0.479673 9.98931e-17 438 63.546 0.494292 -3.47452 63.546000 Cu 0.227085 0.491446 2.13971e-17 439 63.546 9.04781 -3.36315 63.546000 Cu 0.339961 0.506408 1.98344e-17 4 63.546 8.55401 -3.43972 63.546000 Cu 0.43657 0.506435 0.5 6 63.546 8.99316 -3.31934 63.546000 Cu 0.405573 0.479343 9.71283e-17 442 63.546 0.642152 -3.46805 63.546000 Cu 0.317201 0.485616 0.5 444 63.546 2.37782 -3.42252 63.546000 Cu 0.522174 0.521614 1 5 63.546 10.4289 -3.36607 63.546000 Cu 0.64504 0.506315 1.10592e-17 7 63.546 9.32386 -3.39479 63.546000 Cu 0.728701 0.52113 0.5 9 63.546 9.06459 -3.37657 63.546000 Cu 0.524017 0.491166 2.13971e-17 457 63.546 10.5163 -3.36104 63.546000 Cu 0.608017 0.483383 0.5 458 63.546 2.38642 -3.40366 63.546000 Cu 0.73065 0.49149 0.5 462 63.546 9.15817 -3.37168 63.546000 Cu 0.932326 0.520852 3.60625e-19 1 63.546 8.50803 -3.35786 63.546000 Cu 0.850516 0.506285 0.5 2 63.546 8.93821 -3.4391 63.546000 Cu 0.934151 0.491751 3.41392e-17 436 63.546 8.46802 -3.34963 63.546000 Cu 0.813444 0.483933 6.70763e-17 460 63.546 2.48671 -3.404 63.546000 Cu 0.900585 0.473761 0.5 464 63.546 0.190487 -3.48051 63.546000 Cu 0.0207746 0.526407 0.5 3 63.546 2.50616 -3.41158 63.546000 Cu 0.0412327 0.576774 2.13971e-17 16 63.546 0.0743205 -3.52926 63.546000 Cu 0.108986 0.533175 8.99158e-17 19 63.546 0.492674 -3.47165 63.546000 Cu 0.193377 0.540762 0.5 24 63.546 0.257593 -3.4928 63.546000 Cu 0.0754019 0.554858 0.5 41 63.546 0.0538691 -3.53368 63.546000 Cu 0.161381 0.562917 1 42 63.546 0.012317 -3.53767 63.546000 Cu 0.246847 0.570542 0.5 44 63.546 0.0224953 -3.53766 63.546000 Cu 0.314959 0.527158 0.5 23 63.546 2.46807 -3.41571 63.546000 Cu 0.282496 0.549417 2.13971e-17 22 63.546 0.14213 -3.52489 63.546000 Cu 0.403317 0.533609 1 25 63.546 0.62332 -3.46374 63.546000 Cu 0.450438 0.564677 2.13971e-17 26 63.546 0.0234014 -3.53318 63.546000 Cu 0.484516 0.541945 0.5 27 63.546 0.257831 -3.4889 63.546000 Cu 0.367251 0.556261 0.5 28 63.546 0.0542177 -3.5294 63.546000 Cu 0.332481 0.578922 2.13971e-17 46 63.546 0.0209037 -3.535 63.546000 Cu 0.688411 0.539926 2.13971e-17 8 63.546 0.22098 -3.50617 63.546000 Cu 0.605778 0.529287 0.5 10 63.546 2.48664 -3.39858 63.546000 Cu 0.569506 0.551756 2.13971e-17 29 63.546 0.0361248 -3.5337 63.546000 Cu 0.654357 0.560869 0.5 31 63.546 0.044478 -3.53332 63.546000 Cu 0.53465 0.573139 0.5 32 63.546 0.0346892 -3.53385 63.546000 Cu 0.741196 0.570369 1 33 63.546 0.0214913 -3.53354 63.546000 Cu 0.811077 0.528623 2.35488e-16 11 63.546 2.60035 -3.40122 63.546000 Cu 0.8637 0.559122 1 12 63.546 0.0166843 -3.53373 63.546000 Cu 0.897423 0.53886 0.5 13 63.546 0.200669 -3.48753 63.546000 Cu 0.777451 0.550256 0.5 14 63.546 0.0799955 -3.5285 63.546000 Cu 0.989031 0.548211 1 15 63.546 0.312379 -3.508 63.546000 Cu 0.952155 0.568015 0.5 17 63.546 0.0256801 -3.53197 63.546000 Cu 0.212624 0.592563 5.08481e-17 43 63.546 0.00304448 -3.53806 63.546000 Cu 0.127026 0.584512 0.5 45 63.546 0.0100522 -3.53814 63.546000 Cu 0.0921144 0.606083 1.89929e-17 64 63.546 0.0189866 -3.53702 63.546000 Cu 0.177859 0.614189 0.5 66 63.546 0.0039948 -3.53897 63.546000 Cu 0.0565985 0.627122 0.5 67 63.546 0.0031706 -3.53919 63.546000 Cu 0.00500455 0.597454 0.5 39 63.546 0.00670725 -3.53792 63.546000 Cu 0.38285 0.608924 2.03152e-17 47 63.546 0.00316289 -3.53882 63.546000 Cu 0.416627 0.586854 0.5 48 63.546 0.00520591 -3.53665 63.546000 Cu 0.297617 0.600613 0.5 49 63.546 0.00184071 -3.53895 63.546000 Cu 0.467973 0.617084 0.5 53 63.546 0.00172892 -3.53887 63.546000 Cu 0.263379 0.622424 1.01816e-16 68 63.546 0.00162164 -3.53923 63.546000 Cu 0.348765 0.630629 0.5 70 63.546 0.000724245 -3.53951 63.546000 Cu 0.501414 0.595198 1 50 63.546 0.00747268 -3.53762 63.546000 Cu 0.620614 0.582362 1 30 63.546 0.00797375 -3.5378 63.546000 Cu 0.70732 0.591363 0.5 36 63.546 0.00989178 -3.53733 63.546000 Cu 0.553624 0.625496 0 51 63.546 0.00278985 -3.53909 63.546000 Cu 0.586975 0.603781 0.5 52 63.546 0.00914395 -3.53771 63.546000 Cu 0.673468 0.61265 2.13971e-17 54 63.546 0.00431245 -3.53876 63.546000 Cu 0.829682 0.579944 0.5 35 63.546 0.0112061 -3.53631 63.546000 Cu 0.794671 0.600523 8.78723e-17 34 63.546 0.00516192 -3.53718 63.546000 Cu 0.917449 0.588731 2.13971e-17 37 63.546 0.00187917 -3.53768 63.546000 Cu 0.969737 0.618417 1 38 63.546 0.000829777 -3.53905 63.546000 Cu 0.882503 0.609616 0.5 40 63.546 0.00193158 -3.53837 63.546000 Cu 0.76037 0.621562 0.5 56 63.546 0.00356219 -3.53874 63.546000 Cu 0.847532 0.630509 1 58 63.546 0.00167708 -3.53894 63.546000 Cu 0.0215071 0.648208 1 62 63.546 0.000636035 -3.53955 63.546000 Cu 0.143071 0.635675 2.13971e-17 65 63.546 0.00601107 -3.53906 63.546000 Cu 0.228959 0.643985 0.5 71 63.546 0.0021836 -3.53961 63.546000 Cu 0.0733011 0.678042 2.13971e-17 88 63.546 0.000415013 -3.53975 63.546000 Cu 0.108072 0.656868 0.5 89 63.546 0.0015886 -3.53962 63.546000 Cu 0.194438 0.665403 1 90 63.546 0.00236226 -3.53967 63.546000 Cu 0.314777 0.652283 2.13971e-17 69 63.546 0.00095953 -3.53971 63.546000 Cu 0.434392 0.638915 1 72 63.546 0.000639135 -3.53956 63.546000 Cu 0.486461 0.668894 1.9594e-17 73 63.546 0.000179137 -3.5398 63.546000 Cu 0.400573 0.660563 0.5 75 63.546 0.000327385 -3.53979 63.546000 Cu 0.280578 0.673792 0.5 92 63.546 0.00123284 -3.53984 63.546000 Cu 0.366625 0.682141 1.92814e-16 94 63.546 0.000537412 -3.53989 63.546000 Cu 0.726299 0.642825 1 55 63.546 0.00237229 -3.53929 63.546000 Cu 0.6397 0.634064 0.5 57 63.546 0.00408912 -3.53909 63.546000 Cu 0.520102 0.647205 0.5 74 63.546 0.000709469 -3.53953 63.546000 Cu 0.606113 0.655648 1 76 63.546 0.00151696 -3.53956 63.546000 Cu 0.69238 0.664227 0.5 78 63.546 0.00190079 -3.53951 63.546000 Cu 0.572442 0.67726 0.5 79 63.546 0.000434555 -3.53976 63.546000 Cu 0.899873 0.660499 1.52905e-16 59 63.546 0.000618942 -3.53951 63.546000 Cu 0.934687 0.639431 0.5 60 63.546 0.000556434 -3.53932 63.546000 Cu 0.81305 0.651644 0.5 61 63.546 0.00161374 -3.53939 63.546000 Cu 0.986637 0.669317 0.5 63 63.546 0.000270565 -3.53966 63.546000 Cu 0.778868 0.672933 4.5559e-17 80 63.546 0.00130978 -3.53959 63.546000 Cu 0.865414 0.681701 0.5 82 63.546 0.000765557 -3.53965 63.546000 Cu 0.0386651 0.699225 0.5 86 63.546 0.000117406 -3.53981 63.546000 Cu 0.246213 0.69519 1 91 63.546 0.00107501 -3.53986 63.546000 Cu 0.159812 0.686664 0.5 93 63.546 0.000794096 -3.53981 63.546000 Cu 0.125252 0.707904 2.13971e-17 111 63.546 0.000267046 -3.53985 63.546000 Cu 0.211727 0.716492 0.5 113 63.546 0.000442656 -3.53989 63.546000 Cu 0.0907396 0.729134 0.5 114 63.546 8.42273e-05 -3.53986 63.546000 Cu 0.00417726 0.720464 1.18165e-16 85 63.546 0.00010967 -3.53984 63.546000 Cu 0.418603 0.712016 1.51463e-17 95 63.546 0.000351537 -3.53994 63.546000 Cu 0.452658 0.690485 0.5 96 63.546 0.000224802 -3.5399 63.546000 Cu 0.332455 0.703619 0.5 97 63.546 0.000671241 -3.53992 63.546000 Cu 0.298112 0.725007 1.53626e-16 115 63.546 0.000454219 -3.53993 63.546000 Cu 0.384358 0.733467 0.5 117 63.546 0.000269209 -3.53996 63.546000 Cu 0.504679 0.720417 0.5 101 63.546 0.000155284 -3.53994 63.546000 Cu 0.658533 0.685744 3.24563e-18 77 63.546 0.000859182 -3.53974 63.546000 Cu 0.744779 0.694339 0.5 83 63.546 0.000943434 -3.53972 63.546000 Cu 0.538663 0.69886 2.13971e-17 98 63.546 0.00013866 -3.53988 63.546000 Cu 0.590723 0.728849 1 99 63.546 7.48096e-05 -3.53992 63.546000 Cu 0.624679 0.707299 0.5 100 63.546 0.000254694 -3.53984 63.546000 Cu 0.71076 0.715815 1.46654e-17 102 63.546 0.000540622 -3.53982 63.546000 Cu 0.831147 0.703027 1 81 63.546 0.000578658 -3.53975 63.546000 Cu 0.952056 0.690487 9.50848e-17 84 63.546 0.000231437 -3.53973 63.546000 Cu 0.917635 0.711741 0.5 87 63.546 0.000309924 -3.53979 63.546000 Cu 0.79697 0.724417 0.5 104 63.546 0.000544958 -3.53983 63.546000 Cu 0.883315 0.733074 2.40417e-19 106 63.546 0.000409148 -3.53985 63.546000 Cu 0.0222239 0.771697 0.5 110 63.546 0.000115651 -3.53985 63.546000 Cu 0.177296 0.73777 0 112 63.546 0.000176057 -3.5399 63.546000 Cu 0.0564002 0.75041 1.35475e-16 134 63.546 5.93625e-05 -3.53986 63.546000 Cu 0.108807 0.780332 1.00975e-17 135 63.546 1.75399e-05 -3.53986 63.546000 Cu 0.142993 0.759049 0.5 136 63.546 5.25071e-05 -3.53987 63.546000 Cu 0.229504 0.76766 3.6904e-17 137 63.546 0.000145219 -3.53992 63.546000 Cu 0.195379 0.788969 0.5 140 63.546 7.31325e-05 -3.53988 63.546000 Cu 0.350105 0.754864 4.80833e-18 116 63.546 0.000227168 -3.53997 63.546000 Cu 0.263754 0.746344 0.5 118 63.546 0.000268113 -3.53994 63.546000 Cu 0.470538 0.741907 2.13971e-17 119 63.546 0.000133183 -3.53997 63.546000 Cu 0.436366 0.763343 0.5 122 63.546 0.000112647 -3.53998 63.546000 Cu 0.315946 0.776228 0.5 139 63.546 0.00018898 -3.53995 63.546000 Cu 0.40226 0.784745 1.50861e-16 141 63.546 9.59445e-05 -3.53998 63.546000 Cu 0.676765 0.737328 0.5 105 63.546 0.000154856 -3.53989 63.546000 Cu 0.522593 0.771806 2.16375e-17 120 63.546 3.46827e-05 -3.53998 63.546000 Cu 0.556649 0.750354 0.5 121 63.546 8.52863e-05 -3.53997 63.546000 Cu 0.642808 0.758832 1 123 63.546 8.07312e-05 -3.53994 63.546000 Cu 0.695145 0.788788 2.13971e-17 124 63.546 3.56435e-05 -3.53994 63.546000 Cu 0.72899 0.767338 0.5 125 63.546 8.51847e-05 -3.5399 63.546000 Cu 0.608832 0.780281 0.5 126 63.546 4.1695e-05 -3.53997 63.546000 Cu 0.762913 0.74587 2.51115e-16 103 63.546 0.000293232 -3.53987 63.546000 Cu 0.93566 0.763068 1 107 63.546 0.000284299 -3.53986 63.546000 Cu 0.969819 0.741742 0.5 108 63.546 0.000198579 -3.53984 63.546000 Cu 0.849214 0.754455 0.5 109 63.546 0.000336398 -3.53986 63.546000 Cu 0.815299 0.775875 3.49806e-17 127 63.546 0.000124623 -3.53988 63.546000 Cu 0.901693 0.784445 0.5 129 63.546 0.00016115 -3.53988 63.546000 Cu 0.0405829 0.82299 1.16602e-17 132 63.546 0.000236658 -3.53989 63.546000 Cu 0.0746496 0.801644 0.5 157 63.546 0.00010689 -3.53989 63.546000 Cu 0.161187 0.810272 1.54107e-16 158 63.546 1.7048e-05 -3.53986 63.546000 Cu 0.213686 0.84022 2.13971e-17 159 63.546 3.57433e-05 -3.53979 63.546000 Cu 0.247708 0.818916 0.5 160 63.546 0.000152895 -3.53986 63.546000 Cu 0.127063 0.831587 0.5 161 63.546 0.000204031 -3.53987 63.546000 Cu 0.281821 0.797574 1.20208e-16 138 63.546 0.000150832 -3.53992 63.546000 Cu 0.454518 0.814638 9.28008e-17 142 63.546 6.23016e-05 -3.53997 63.546000 Cu 0.488562 0.793238 0.5 143 63.546 4.8961e-05 -3.53998 63.546000 Cu 0.368199 0.806138 0.5 144 63.546 0.000171482 -3.53996 63.546000 Cu 0.334212 0.827521 2.6566e-17 162 63.546 0.000350483 -3.53987 63.546000 Cu 0.420643 0.836056 0.5 164 63.546 0.000166596 -3.53993 63.546000 Cu 0.574844 0.801713 2.03753e-16 145 63.546 3.2787e-05 -3.53998 63.546000 Cu 0.62728 0.831612 3.06531e-17 146 63.546 7.22977e-05 -3.53996 63.546000 Cu 0.661213 0.810212 0.5 147 63.546 4.16865e-05 -3.53995 63.546000 Cu 0.540903 0.823127 0.5 148 63.546 1.64621e-05 -3.53997 63.546000 Cu 0.747588 0.818751 1 149 63.546 4.93933e-05 -3.53989 63.546000 Cu 0.713763 0.840152 0.5 152 63.546 7.32671e-05 -3.53989 63.546000 Cu 0.867784 0.805859 1.7911e-17 128 63.546 7.94846e-05 -3.53989 63.546000 Cu 0.781469 0.797321 0.5 130 63.546 9.68526e-06 -3.53989 63.546000 Cu 0.98815 0.793027 3.77454e-17 131 63.546 0.000214825 -3.53989 63.546000 Cu 0.954151 0.814419 0.5 133 63.546 0.000196091 -3.5399 63.546000 Cu 0.834008 0.827315 0.5 151 63.546 7.02995e-05 -3.53983 63.546000 Cu 0.920344 0.835852 1 153 63.546 4.57587e-05 -3.53985 63.546000 Cu 0.0931382 0.852931 1 180 63.546 0.000353784 -3.5399 63.546000 Cu 0.145647 0.882828 1 181 63.546 0.000983541 -3.5399 63.546000 Cu 0.179643 0.861489 0.5 182 63.546 0.000494001 -3.53984 63.546000 Cu 0.05922 0.874304 0.5 183 63.546 0.00107675 -3.53992 63.546000 Cu 0.232142 0.891326 0.5 187 63.546 0.00244076 -3.53968 63.546000 Cu 0.00669159 0.844375 0.5 155 63.546 0.000365239 -3.53991 63.546000 Cu 0.3869 0.857481 1 163 63.546 0.000819687 -3.53982 63.546000 Cu 0.300322 0.848864 0.5 165 63.546 0.000327084 -3.53977 63.546000 Cu 0.473222 0.866 0.5 169 63.546 0.000300304 -3.53989 63.546000 Cu 0.266381 0.870144 1 184 63.546 0.00023245 -3.53968 63.546000 Cu 0.353038 0.878836 0.5 186 63.546 0.00117019 -3.53962 63.546000 Cu 0.439612 0.88747 0 188 63.546 0.00174491 -3.53964 63.546000 Cu 0.507012 0.844528 7.69333e-17 166 63.546 8.80247e-05 -3.53997 63.546000 Cu 0.559455 0.87442 1.85121e-17 167 63.546 0.000633734 -3.53995 63.546000 Cu 0.593406 0.853013 0.5 168 63.546 0.00012258 -3.53997 63.546000 Cu 0.679797 0.861502 1 170 63.546 0.000319713 -3.53993 63.546000 Cu 0.732184 0.891337 2.13971e-17 171 63.546 0.002007 -3.53975 63.546000 Cu 0.645773 0.882888 0.5 173 63.546 0.000729376 -3.53995 63.546000 Cu 0.800231 0.848729 2.13971e-17 150 63.546 0.000154204 -3.53982 63.546000 Cu 0.972967 0.865854 1.20208e-18 154 63.546 0.00011846 -3.53982 63.546000 Cu 0.886682 0.857323 0.5 156 63.546 0.000374261 -3.53979 63.546000 Cu 0.766352 0.870091 0.5 172 63.546 0.000295943 -3.53981 63.546000 Cu 0.852874 0.878729 2.13971e-17 174 63.546 0.000781462 -3.53968 63.546000 Cu 0.939394 0.88734 0.5 176 63.546 0.00113447 -3.5396 63.546000 Cu 0.0256453 0.895863 1 178 63.546 0.0008776 -3.5397 63.546000 Cu 0.0784992 0.925854 2.13971e-17 204 63.546 0.00290066 -3.53891 63.546000 Cu 0.111699 0.904163 0.5 205 63.546 0.00459972 -3.53979 63.546000 Cu 0.198213 0.912698 1 206 63.546 0.00304911 -3.53983 63.546000 Cu 0.163941 0.933951 0.5 209 63.546 0.0253114 -3.53726 63.546000 Cu 0.250853 0.942542 6.09456e-17 207 63.546 0.0231167 -3.53851 63.546000 Cu 0.319169 0.900082 0 185 63.546 0.00142641 -3.53925 63.546000 Cu 0.492458 0.917569 1.64565e-16 189 63.546 0.00643118 -3.53925 63.546000 Cu 0.406008 0.908865 0.5 191 63.546 0.00516045 -3.53893 63.546000 Cu 0.284616 0.921056 0.5 208 63.546 0.0129173 -3.53857 63.546000 Cu 0.372221 0.930009 2.13971e-17 210 63.546 0.00843149 -3.53716 63.546000 Cu 0.45928 0.939103 0.5 212 63.546 0.0299519 -3.53794 63.546000 Cu 0.525822 0.895985 0.5 190 63.546 0.00109653 -3.53974 63.546000 Cu 0.611827 0.904262 1.22613e-17 192 63.546 0.00359356 -3.53978 63.546000 Cu 0.664017 0.934022 1 193 63.546 0.0234437 -3.53719 63.546000 Cu 0.698255 0.912744 0.5 194 63.546 0.00270938 -3.53986 63.546000 Cu 0.578574 0.925955 0.5 195 63.546 0.00276937 -3.53903 63.546000 Cu 0.750992 0.942555 0.5 199 63.546 0.0225969 -3.53847 63.546000 Cu 0.905862 0.908755 1 175 63.546 0.00414617 -3.53895 63.546000 Cu 0.819099 0.900025 0.5 177 63.546 0.00151241 -3.53942 63.546000 Cu 0.992361 0.917448 0.5 179 63.546 0.00547035 -3.53915 63.546000 Cu 0.784614 0.921049 1 196 63.546 0.012264 -3.53861 63.546000 Cu 0.87222 0.929932 0.5 198 63.546 0.00854817 -3.53729 63.546000 Cu 0.959287 0.938999 1 200 63.546 0.027368 -3.53785 63.546000 Cu 0.0458549 0.947579 0.5 202 63.546 0.0206272 -3.53587 63.546000 Cu 0.130688 0.956215 1 224 63.546 0.0472194 -3.5326 63.546000 Cu 0.183484 0.985435 1 225 63.546 2.50149 -3.43267 63.546000 Cu 0.215707 0.963271 0.5 226 63.546 0.158504 -3.52828 63.546000 Cu 0.097449 0.978776 0.5 227 63.546 0.743624 -3.44894 63.546000 Cu 0.0137241 0.969155 3.99092e-17 201 63.546 0.419259 -3.46981 63.546000 Cu 0.425662 0.960143 6.01042e-19 211 63.546 0.0464009 -3.53167 63.546000 Cu 0.336869 0.9505 0.5 213 63.546 0.0820779 -3.53413 63.546000 Cu 0.304644 0.97231 1 228 63.546 0.28998 -3.49288 63.546000 Cu 0.388671 0.979744 0.5 229 63.546 0.830502 -3.4192 63.546000 Cu 0.2724 0.991435 0.5 230 63.546 9.15353 -3.39158 63.546000 Cu 0.481953 0.989477 1 231 63.546 2.50632 -3.37525 63.546000 Cu 0.513776 0.96921 0.5 217 63.546 0.418494 -3.47009 63.546000 Cu 0.545906 0.947665 6.88794e-17 214 63.546 0.0205569 -3.5362 63.546000 Cu 0.597685 0.978796 4.07506e-17 215 63.546 0.739406 -3.44993 63.546000 Cu 0.630811 0.956267 0.5 216 63.546 0.0474408 -3.53293 63.546000 Cu 0.715945 0.96329 1.74302e-17 218 63.546 0.154993 -3.52812 63.546000 Cu 0.683858 0.985435 0.5 221 63.546 2.50574 -3.43237 63.546000 Cu 0.837016 0.950466 2.13971e-17 197 63.546 0.08116 -3.53423 63.546000 Cu 0.925777 0.96007 0.5 203 63.546 0.0440128 -3.53189 63.546000 Cu 0.772721 0.991427 9.11179e-17 219 63.546 9.15455 -3.39191 63.546000 Cu 0.804901 0.972301 0.5 220 63.546 0.295565 -3.49251 63.546000 Cu 0.888857 0.979708 3.9789e-17 222 63.546 0.829831 -3.41888 63.546000 Cu 0.981782 0.989487 0.5 223 63.546 2.481 -3.37581