Number of particles = 456 A = 1 Angstrom (basic length-scale) H0(1,1) = 19.4322 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 77.8758 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.59616 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 0.105647 0.00215282 0.75 252 63.546 13.0807 -3.33286 63.546000 Cu 0.0146466 0.00318936 0.25 253 63.546 9.54525 -3.59324 63.546000 Cu 0.0499143 0.0312367 0.75 269 63.546 0.514871 -3.47926 63.546000 Cu 0.169305 0.0466422 0.75 270 63.546 0.0921589 -3.51612 63.546000 Cu 0.135559 0.0233613 0.25 271 63.546 1.95513 -3.49083 63.546000 Cu 0.384751 0.00223056 0.75 235 63.546 11.8552 -3.17608 63.546000 Cu 0.222852 0.0175165 0.75 273 63.546 6.54118 -3.34181 63.546000 Cu 0.341376 0.0304224 0.75 274 63.546 0.917131 -3.4442 63.546000 Cu 0.295036 0.00281571 0.25 275 63.546 7.94341 -3.58641 63.546000 Cu 0.256658 0.0380483 0.25 276 63.546 0.28651 -3.49588 63.546000 Cu 0.514647 0.00318936 0.75 236 63.546 9.54525 -3.59324 63.546000 Cu 0.432199 0.0197591 0.25 237 63.546 2.06958 -3.45038 63.546000 Cu 0.466677 0.0408137 0.75 240 63.546 0.370914 -3.5057 63.546000 Cu 0.549914 0.0312367 0.25 242 63.546 0.514871 -3.47926 63.546000 Cu 0.605647 0.00215282 0.25 238 63.546 13.0807 -3.33286 63.546000 Cu 0.635559 0.0233613 0.75 244 63.546 1.95513 -3.49083 63.546000 Cu 0.756658 0.0380483 0.75 245 63.546 0.28651 -3.49588 63.546000 Cu 0.722852 0.0175165 0.25 246 63.546 6.54118 -3.34181 63.546000 Cu 0.669305 0.0466422 0.25 247 63.546 0.0921589 -3.51612 63.546000 Cu 0.795036 0.00281571 0.75 248 63.546 7.94341 -3.58641 63.546000 Cu 0.932199 0.0197591 0.75 249 63.546 2.06958 -3.45038 63.546000 Cu 0.884751 0.00223056 0.25 250 63.546 11.8552 -3.17608 63.546000 Cu 0.841376 0.0304224 0.25 251 63.546 0.917131 -3.4442 63.546000 Cu 0.966677 0.0408137 0.25 267 63.546 0.370914 -3.5057 63.546000 Cu 0.000378052 0.0628908 0.75 266 63.546 0.0310492 -3.53793 63.546000 Cu 0.0849799 0.0540985 0.25 272 63.546 0.0289324 -3.52446 63.546000 Cu 0.0342617 0.0849685 0.25 291 63.546 0.00423817 -3.5397 63.546000 Cu 0.119401 0.0767208 0.75 293 63.546 0.011841 -3.53045 63.546000 Cu 0.154383 0.0985442 0.25 296 63.546 0.00367934 -3.5373 63.546000 Cu 0.240257 0.0900734 0.75 294 63.546 0.0118565 -3.53228 63.546000 Cu 0.205008 0.0682891 0.25 295 63.546 0.014106 -3.53762 63.546000 Cu 0.290748 0.060137 0.75 297 63.546 0.0600778 -3.51965 63.546000 Cu 0.379004 0.0508215 0.25 298 63.546 0.0229536 -3.52498 63.546000 Cu 0.32706 0.0811444 0.25 299 63.546 0.00503211 -3.538 63.546000 Cu 0.4141 0.0718482 0.75 239 63.546 0.025342 -3.54257 63.546000 Cu 0.58498 0.0540985 0.75 241 63.546 0.0289324 -3.52446 63.546000 Cu 0.500378 0.0628908 0.25 243 63.546 0.0310492 -3.53793 63.546000 Cu 0.448536 0.0935775 0.25 255 63.546 0.00858995 -3.5424 63.546000 Cu 0.534262 0.0849685 0.75 257 63.546 0.00423817 -3.5397 63.546000 Cu 0.654383 0.0985442 0.75 258 63.546 0.00367934 -3.5373 63.546000 Cu 0.619401 0.0767208 0.25 259 63.546 0.011841 -3.53045 63.546000 Cu 0.705008 0.0682891 0.75 261 63.546 0.014106 -3.53762 63.546000 Cu 0.790748 0.060137 0.25 263 63.546 0.0600778 -3.51965 63.546000 Cu 0.740257 0.0900734 0.25 264 63.546 0.0118565 -3.53228 63.546000 Cu 0.82706 0.0811444 0.75 262 63.546 0.00503211 -3.538 63.546000 Cu 0.879004 0.0508215 0.75 265 63.546 0.0229536 -3.52498 63.546000 Cu 0.9141 0.0718482 0.25 268 63.546 0.025342 -3.54257 63.546000 Cu 0.948536 0.0935775 0.75 289 63.546 0.00858995 -3.5424 63.546000 Cu 0.0685527 0.107022 0.75 290 63.546 0.00166119 -3.53689 63.546000 Cu 0.0173015 0.137337 0.75 314 63.546 0.000303902 -3.53902 63.546000 Cu 0.103249 0.128803 0.25 316 63.546 0.00129356 -3.53818 63.546000 Cu 0.189309 0.120229 0.75 318 63.546 0.00285192 -3.53674 63.546000 Cu 0.396957 0.124111 0.25 256 63.546 0.00293041 -3.54175 63.546000 Cu 0.310702 0.132918 0.75 319 63.546 0.0013162 -3.54142 63.546000 Cu 0.275746 0.111445 0.25 320 63.546 0.00118085 -3.53882 63.546000 Cu 0.224282 0.141754 0.25 321 63.546 0.000356997 -3.53962 63.546000 Cu 0.362332 0.102464 0.75 322 63.546 0.00515031 -3.54254 63.546000 Cu 0.482886 0.115466 0.75 254 63.546 0.0012706 -3.54041 63.546000 Cu 0.568553 0.107022 0.25 260 63.546 0.00166119 -3.53689 63.546000 Cu 0.431345 0.145906 0.75 277 63.546 0.000405367 -3.54086 63.546000 Cu 0.517302 0.137337 0.25 279 63.546 0.000303902 -3.53902 63.546000 Cu 0.603249 0.128803 0.75 281 63.546 0.00129356 -3.53818 63.546000 Cu 0.724282 0.141754 0.75 282 63.546 0.000356997 -3.53962 63.546000 Cu 0.689309 0.120229 0.25 283 63.546 0.00285192 -3.53674 63.546000 Cu 0.775746 0.111445 0.75 285 63.546 0.00118085 -3.53882 63.546000 Cu 0.896957 0.124111 0.75 286 63.546 0.00293041 -3.54175 63.546000 Cu 0.862332 0.102464 0.25 287 63.546 0.00515031 -3.54254 63.546000 Cu 0.810702 0.132918 0.25 288 63.546 0.0013162 -3.54142 63.546000 Cu 0.982886 0.115466 0.25 292 63.546 0.0012706 -3.54041 63.546000 Cu 0.931345 0.145906 0.25 312 63.546 0.000405367 -3.54086 63.546000 Cu 0.137959 0.150477 0.75 315 63.546 0.000862661 -3.53872 63.546000 Cu 0.0518032 0.159093 0.25 317 63.546 0.000447837 -3.53909 63.546000 Cu 0.000150736 0.18939 0.25 337 63.546 0.000157318 -3.53894 63.546000 Cu 0.0863491 0.180758 0.75 339 63.546 0.000296836 -3.53871 63.546000 Cu 0.17264 0.172073 0.25 341 63.546 0.000139426 -3.53936 63.546000 Cu 0.207186 0.193662 0.75 340 63.546 0.000123314 -3.54 63.546000 Cu 0.258989 0.163318 0.75 343 63.546 0.00032425 -3.54062 63.546000 Cu 0.379625 0.176296 0.75 344 63.546 0.000135028 -3.54035 63.546000 Cu 0.345257 0.154569 0.25 345 63.546 0.000858106 -3.54129 63.546000 Cu 0.293446 0.184962 0.25 346 63.546 0.000232255 -3.54036 63.546000 Cu 0.551803 0.159093 0.75 278 63.546 0.000447837 -3.53909 63.546000 Cu 0.465731 0.167678 0.25 280 63.546 8.59729e-05 -3.5396 63.546000 Cu 0.41398 0.198008 0.25 301 63.546 3.00501e-05 -3.53937 63.546000 Cu 0.500151 0.18939 0.75 302 63.546 0.000157318 -3.53894 63.546000 Cu 0.586349 0.180758 0.25 304 63.546 0.000296836 -3.53871 63.546000 Cu 0.637959 0.150477 0.25 284 63.546 0.000862661 -3.53872 63.546000 Cu 0.67264 0.172073 0.75 306 63.546 0.000139426 -3.53936 63.546000 Cu 0.793446 0.184962 0.75 307 63.546 0.000232255 -3.54036 63.546000 Cu 0.758989 0.163318 0.25 308 63.546 0.00032425 -3.54062 63.546000 Cu 0.707186 0.193662 0.25 309 63.546 0.000123314 -3.54 63.546000 Cu 0.845257 0.154569 0.75 310 63.546 0.000858106 -3.54129 63.546000 Cu 0.965731 0.167678 0.75 311 63.546 8.59729e-05 -3.5396 63.546000 Cu 0.879625 0.176296 0.25 313 63.546 0.000135028 -3.54035 63.546000 Cu 0.91398 0.198008 0.75 335 63.546 3.00501e-05 -3.53937 63.546000 Cu 0.0345724 0.211037 0.75 336 63.546 6.32872e-05 -3.53933 63.546000 Cu 0.120862 0.202367 0.25 342 63.546 2.65817e-05 -3.5395 63.546000 Cu 0.0690611 0.23267 0.25 362 63.546 5.95661e-06 -3.53978 63.546000 Cu 0.155343 0.223993 0.75 364 63.546 3.21324e-05 -3.53999 63.546000 Cu 0.189731 0.245643 0.25 367 63.546 2.12762e-05 -3.5399 63.546000 Cu 0.275945 0.236978 0.75 365 63.546 1.07549e-05 -3.53989 63.546000 Cu 0.241595 0.215314 0.25 366 63.546 4.80813e-05 -3.5401 63.546000 Cu 0.32781 0.206645 0.75 368 63.546 3.75609e-05 -3.53977 63.546000 Cu 0.362138 0.228324 0.25 369 63.546 1.1451e-05 -3.53967 63.546000 Cu 0.396537 0.249993 0.75 323 63.546 3.104e-05 -3.53985 63.546000 Cu 0.448336 0.219681 0.75 300 63.546 4.16201e-05 -3.53948 63.546000 Cu 0.534572 0.211037 0.25 305 63.546 6.32872e-05 -3.53933 63.546000 Cu 0.482779 0.241338 0.25 325 63.546 2.82359e-05 -3.53966 63.546000 Cu 0.569061 0.23267 0.75 327 63.546 5.95661e-06 -3.53978 63.546000 Cu 0.620862 0.202367 0.75 303 63.546 2.65817e-05 -3.5395 63.546000 Cu 0.689731 0.245643 0.75 328 63.546 2.12762e-05 -3.5399 63.546000 Cu 0.655343 0.223993 0.25 329 63.546 3.21324e-05 -3.53999 63.546000 Cu 0.741595 0.215314 0.75 331 63.546 4.80813e-05 -3.5401 63.546000 Cu 0.775945 0.236978 0.25 334 63.546 1.07549e-05 -3.53989 63.546000 Cu 0.862138 0.228324 0.75 332 63.546 1.1451e-05 -3.53967 63.546000 Cu 0.82781 0.206645 0.25 333 63.546 3.75609e-05 -3.53977 63.546000 Cu 0.948336 0.219681 0.25 338 63.546 4.16201e-05 -3.53948 63.546000 Cu 0.982779 0.241338 0.75 360 63.546 2.82359e-05 -3.53966 63.546000 Cu 0.896537 0.249993 0.25 358 63.546 3.104e-05 -3.53985 63.546000 Cu 0.103503 0.254307 0.75 361 63.546 3.38153e-05 -3.53976 63.546000 Cu 0.0172537 0.262966 0.25 363 63.546 2.50469e-05 -3.53948 63.546000 Cu 0.0516801 0.284623 0.75 385 63.546 3.17608e-05 -3.53964 63.546000 Cu 0.172227 0.297661 0.75 386 63.546 4.01443e-05 -3.5399 63.546000 Cu 0.137889 0.275977 0.25 387 63.546 8.06549e-06 -3.54006 63.546000 Cu 0.224096 0.26732 0.75 389 63.546 4.23091e-06 -3.5402 63.546000 Cu 0.344705 0.280312 0.75 390 63.546 3.81183e-05 -3.53991 63.546000 Cu 0.310309 0.258655 0.25 391 63.546 1.77646e-05 -3.54016 63.546000 Cu 0.258456 0.288991 0.25 392 63.546 4.9674e-05 -3.5401 63.546000 Cu 0.517254 0.262966 0.75 324 63.546 2.50469e-05 -3.53948 63.546000 Cu 0.430988 0.271633 0.25 326 63.546 4.58532e-06 -3.53958 63.546000 Cu 0.465458 0.293264 0.75 348 63.546 7.66826e-05 -3.53941 63.546000 Cu 0.55168 0.284623 0.25 350 63.546 3.17608e-05 -3.53964 63.546000 Cu 0.603503 0.254307 0.25 330 63.546 3.38153e-05 -3.53976 63.546000 Cu 0.637889 0.275977 0.75 352 63.546 8.06549e-06 -3.54006 63.546000 Cu 0.758456 0.288991 0.75 353 63.546 4.9674e-05 -3.5401 63.546000 Cu 0.724096 0.26732 0.25 354 63.546 4.23091e-06 -3.5402 63.546000 Cu 0.672227 0.297661 0.25 355 63.546 4.01443e-05 -3.5399 63.546000 Cu 0.810309 0.258655 0.75 356 63.546 1.77646e-05 -3.54016 63.546000 Cu 0.930988 0.271633 0.75 357 63.546 4.58532e-06 -3.53958 63.546000 Cu 0.844705 0.280312 0.25 359 63.546 3.81183e-05 -3.53991 63.546000 Cu 0.965458 0.293264 0.25 383 63.546 7.66826e-05 -3.53941 63.546000 Cu 0.086052 0.3063 0.25 388 63.546 1.77921e-05 -3.53933 63.546000 Cu 0.0343137 0.336618 0.25 407 63.546 0.000111136 -3.53926 63.546000 Cu 0.120404 0.328003 0.75 409 63.546 0.000126467 -3.54008 63.546000 Cu 0.154754 0.349728 0.25 412 63.546 0.000920603 -3.54118 63.546000 Cu 0.241041 0.340982 0.75 410 63.546 0.000331894 -3.54076 63.546000 Cu 0.206576 0.319338 0.25 411 63.546 0.000221407 -3.5403 63.546000 Cu 0.292843 0.310638 0.75 413 63.546 0.000115782 -3.53995 63.546000 Cu 0.379165 0.301932 0.25 414 63.546 3.6598e-05 -3.53956 63.546000 Cu 0.327396 0.332228 0.25 415 63.546 0.000134163 -3.53947 63.546000 Cu 0.413694 0.323548 0.75 347 63.546 0.000247463 -3.53887 63.546000 Cu 0.586052 0.3063 0.75 349 63.546 1.77921e-05 -3.53933 63.546000 Cu 0.499885 0.314921 0.25 351 63.546 9.6239e-05 -3.53897 63.546000 Cu 0.448233 0.345206 0.25 371 63.546 0.000432457 -3.53893 63.546000 Cu 0.534314 0.336618 0.75 373 63.546 0.000111136 -3.53926 63.546000 Cu 0.654754 0.349728 0.75 374 63.546 0.000920603 -3.54118 63.546000 Cu 0.620404 0.328003 0.25 375 63.546 0.000126467 -3.54008 63.546000 Cu 0.706576 0.319338 0.75 377 63.546 0.000221407 -3.5403 63.546000 Cu 0.792843 0.310638 0.25 379 63.546 0.000115782 -3.53995 63.546000 Cu 0.741041 0.340982 0.25 380 63.546 0.000331894 -3.54076 63.546000 Cu 0.999885 0.314921 0.75 382 63.546 9.6239e-05 -3.53897 63.546000 Cu 0.827396 0.332228 0.75 378 63.546 0.000134163 -3.53947 63.546000 Cu 0.879165 0.301932 0.75 381 63.546 3.6598e-05 -3.53956 63.546000 Cu 0.913694 0.323548 0.25 384 63.546 0.000247463 -3.53887 63.546000 Cu 0.948233 0.345206 0.75 405 63.546 0.000432457 -3.53893 63.546000 Cu 0.0686851 0.358388 0.75 406 63.546 0.000397099 -3.54064 63.546000 Cu 0.0171367 0.388826 0.75 430 63.546 0.00129042 -3.54066 63.546000 Cu 0.103068 0.380178 0.25 432 63.546 0.00284617 -3.5417 63.546000 Cu 0.189302 0.371373 0.75 434 63.546 0.00131506 -3.54145 63.546000 Cu 0.396767 0.375491 0.25 372 63.546 0.00126607 -3.53822 63.546000 Cu 0.310711 0.384065 0.75 435 63.546 0.00279608 -3.5369 63.546000 Cu 0.275742 0.362539 0.25 436 63.546 0.000375497 -3.53962 63.546000 Cu 0.22428 0.392848 0.25 437 63.546 0.00112462 -3.53898 63.546000 Cu 0.362074 0.353821 0.75 438 63.546 0.000829285 -3.53854 63.546000 Cu 0.482739 0.366955 0.75 370 63.546 0.000334389 -3.53909 63.546000 Cu 0.568685 0.358388 0.25 376 63.546 0.000397099 -3.54064 63.546000 Cu 0.431476 0.397268 0.75 393 63.546 0.00177052 -3.53702 63.546000 Cu 0.517137 0.388826 0.25 395 63.546 0.00129042 -3.54066 63.546000 Cu 0.603068 0.380178 0.75 397 63.546 0.00284617 -3.5417 63.546000 Cu 0.72428 0.392848 0.75 398 63.546 0.00112462 -3.53898 63.546000 Cu 0.689302 0.371373 0.25 399 63.546 0.00131506 -3.54145 63.546000 Cu 0.775742 0.362539 0.75 401 63.546 0.000375497 -3.53962 63.546000 Cu 0.896767 0.375491 0.75 402 63.546 0.00126607 -3.53822 63.546000 Cu 0.862074 0.353821 0.25 403 63.546 0.000829285 -3.53854 63.546000 Cu 0.810711 0.384065 0.25 404 63.546 0.00279608 -3.5369 63.546000 Cu 0.982739 0.366955 0.25 408 63.546 0.000334389 -3.53909 63.546000 Cu 0.931476 0.397268 0.25 428 63.546 0.00177052 -3.53702 63.546000 Cu 0.137694 0.401828 0.75 431 63.546 0.00508337 -3.54243 63.546000 Cu 0.0515001 0.410713 0.25 433 63.546 0.00844659 -3.5425 63.546000 Cu 0.0858912 0.432441 0.75 452 63.546 0.025262 -3.54248 63.546000 Cu 0.172919 0.423145 0.25 454 63.546 0.00513814 -3.53793 63.546000 Cu 0.294993 0.436002 0.25 232 63.546 0.0140302 -3.53793 63.546000 Cu 0.345646 0.405751 0.25 233 63.546 0.00364165 -3.53741 63.546000 Cu 0.38062 0.427565 0.75 234 63.546 0.0122125 -3.53038 63.546000 Cu 0.209231 0.444154 0.75 453 63.546 0.0594755 -3.51956 63.546000 Cu 0.259728 0.41422 0.75 456 63.546 0.0116179 -3.53244 63.546000 Cu 0.5515 0.410713 0.75 394 63.546 0.00844659 -3.5425 63.546000 Cu 0.465755 0.419329 0.25 396 63.546 0.00438604 -3.53963 63.546000 Cu 0.499621 0.441396 0.75 418 63.546 0.0310633 -3.53778 63.546000 Cu 0.585891 0.432441 0.25 420 63.546 0.025262 -3.54248 63.546000 Cu 0.637694 0.401828 0.25 400 63.546 0.00508337 -3.54243 63.546000 Cu 0.672919 0.423145 0.75 422 63.546 0.00513814 -3.53793 63.546000 Cu 0.794993 0.436002 0.75 423 63.546 0.0140302 -3.53793 63.546000 Cu 0.759728 0.41422 0.25 424 63.546 0.0116179 -3.53244 63.546000 Cu 0.709231 0.444154 0.25 425 63.546 0.0594755 -3.51956 63.546000 Cu 0.999621 0.441396 0.25 450 63.546 0.0310633 -3.53778 63.546000 Cu 0.845646 0.405751 0.75 426 63.546 0.00364165 -3.53741 63.546000 Cu 0.965755 0.419329 0.75 427 63.546 0.00438604 -3.53963 63.546000 Cu 0.88062 0.427565 0.25 429 63.546 0.0122125 -3.53038 63.546000 Cu 0.158636 0.473852 0.75 21 63.546 0.91849 -3.44419 63.546000 Cu 0.0677744 0.484516 0.25 220 63.546 2.06986 -3.45043 63.546000 Cu 0.0333103 0.463471 0.75 449 63.546 0.370998 -3.50568 63.546000 Cu 0.120974 0.453466 0.25 455 63.546 0.0232297 -3.52488 63.546000 Cu 0.364453 0.480911 0.25 1 63.546 1.95522 -3.49071 63.546000 Cu 0.330686 0.457639 0.75 2 63.546 0.0922901 -3.51602 63.546000 Cu 0.24334 0.466236 0.25 7 63.546 0.286044 -3.49551 63.546000 Cu 0.277159 0.486755 0.75 8 63.546 6.54064 -3.34199 63.546000 Cu 0.415029 0.450186 0.25 417 63.546 0.028907 -3.5245 63.546000 Cu 0.450079 0.473043 0.75 416 63.546 0.514763 -3.47915 63.546000 Cu 0.53331 0.463471 0.25 421 63.546 0.370998 -3.50568 63.546000 Cu 0.567774 0.484516 0.75 441 63.546 2.06986 -3.45043 63.546000 Cu 0.620974 0.453466 0.75 419 63.546 0.0232297 -3.52488 63.546000 Cu 0.658636 0.473852 0.25 443 63.546 0.91849 -3.44419 63.546000 Cu 0.74334 0.466236 0.75 444 63.546 0.286044 -3.49551 63.546000 Cu 0.777159 0.486755 0.25 447 63.546 6.54064 -3.34199 63.546000 Cu 0.915029 0.450186 0.75 448 63.546 0.028907 -3.5245 63.546000 Cu 0.864453 0.480911 0.75 445 63.546 1.95522 -3.49071 63.546000 Cu 0.830686 0.457639 0.25 446 63.546 0.0922901 -3.51602 63.546000 Cu 0.950079 0.473043 0.25 451 63.546 0.514763 -3.47915 63.546000 Cu 0.0639513 0.51901 0.25 5 63.546 2.93798 -3.45571 63.546000 Cu 0.11522 0.502044 0.75 6 63.546 11.8529 -3.17554 63.546000 Cu 0.156145 0.530263 0.75 11 63.546 1.32669 -3.42365 63.546000 Cu 0.0312247 0.540457 0.75 28 63.546 0.536706 -3.49981 63.546000 Cu 0.204927 0.501453 0.25 4 63.546 7.93872 -3.58677 63.546000 Cu 0.241252 0.537767 0.25 9 63.546 0.393869 -3.48964 63.546000 Cu 0.27424 0.517219 0.75 10 63.546 6.93186 -3.34519 63.546000 Cu 0.362116 0.522965 0.25 12 63.546 2.29398 -3.49168 63.546000 Cu 0.328564 0.546331 0.75 15 63.546 0.0859306 -3.51496 63.546000 Cu 0.394339 0.502118 0.75 439 63.546 13.0784 -3.33289 63.546000 Cu 0.485328 0.501082 0.25 440 63.546 9.54536 -3.59353 63.546000 Cu 0.563951 0.51901 0.75 3 63.546 2.93798 -3.45571 63.546000 Cu 0.447726 0.531203 0.75 14 63.546 0.799397 -3.45316 63.546000 Cu 0.531225 0.540457 0.25 16 63.546 0.536706 -3.49981 63.546000 Cu 0.704927 0.501453 0.75 442 63.546 7.93872 -3.58677 63.546000 Cu 0.61522 0.502044 0.25 19 63.546 11.8529 -3.17554 63.546000 Cu 0.656145 0.530263 0.25 20 63.546 1.32669 -3.42365 63.546000 Cu 0.77424 0.517219 0.25 22 63.546 6.93186 -3.34519 63.546000 Cu 0.741252 0.537767 0.75 25 63.546 0.393869 -3.48964 63.546000 Cu 0.985328 0.501082 0.75 224 63.546 9.54536 -3.59353 63.546000 Cu 0.828564 0.546331 0.25 23 63.546 0.0859306 -3.51496 63.546000 Cu 0.862116 0.522965 0.75 24 63.546 2.29398 -3.49168 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