Number of particles = 592 A = 1 Angstrom (basic length-scale) H0(1,1) = 22.1955 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 88.8352 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.63521 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 0.0851465 0.0135201 2.44565e-17 300 63.546 0.704336 -3.28449 63.546000 Cu 0.16467 0.0135751 0.5 303 63.546 6.46481 -2.97994 63.546000 Cu 0.103982 0.0524405 1.193e-19 310 63.546 0.119079 -3.2695 63.546000 Cu 0.090407 0.0334735 0.5 311 63.546 0.505785 -3.24992 63.546000 Cu 0.178284 0.0303007 2.44565e-17 313 63.546 3.75378 -3.16405 63.546000 Cu 0.189806 0.0487915 0.5 316 63.546 0.0281787 -3.2795 63.546000 Cu 0.00525122 0.0134786 0.5 301 63.546 0.229964 -3.28024 63.546000 Cu 0.00786562 0.0343845 1 309 63.546 0.392152 -3.27638 63.546000 Cu 0.0211586 0.0552748 0.5 312 63.546 0.188904 -3.27099 63.546000 Cu 0.277141 0.0446279 2.44565e-17 314 63.546 0.740563 -3.19524 63.546000 Cu 0.26229 0.0264939 0.5 315 63.546 9.31498 -2.97764 63.546000 Cu 0.263604 0.000539149 0.5 304 63.546 9.47846 -2.98334 63.546000 Cu 0.338744 0.0135251 0 317 63.546 6.90071 -3.10999 63.546000 Cu 0.429632 0.0354658 2.44565e-17 318 63.546 0.381298 -3.21505 63.546000 Cu 0.422281 0.0134271 0.5 319 63.546 1.02574 -3.24436 63.546000 Cu 0.357453 0.0387273 0.5 320 63.546 0.818148 -3.1653 63.546000 Cu 0.505251 0.0134786 1.21209e-16 321 63.546 0.229964 -3.28024 63.546000 Cu 0.507866 0.0343845 0.5 324 63.546 0.392152 -3.27638 63.546000 Cu 0.521159 0.0552748 2.44565e-17 345 63.546 0.188904 -3.27099 63.546000 Cu 0.590407 0.0334735 2.44565e-17 322 63.546 0.505785 -3.24992 63.546000 Cu 0.585147 0.0135201 0.5 323 63.546 0.704336 -3.28449 63.546000 Cu 0.66467 0.0135751 2.04003e-17 325 63.546 6.46481 -2.97994 63.546000 Cu 0.678284 0.0303007 0.5 328 63.546 3.75378 -3.16405 63.546000 Cu 0.603982 0.0524405 0.5 347 63.546 0.119079 -3.2695 63.546000 Cu 0.689806 0.0487915 2.44565e-17 349 63.546 0.0281787 -3.2795 63.546000 Cu 0.76229 0.0264939 4.40218e-17 326 63.546 9.31498 -2.97764 63.546000 Cu 0.777141 0.0446279 0.5 351 63.546 0.740563 -3.19524 63.546000 Cu 0.763604 0.000539149 2.44565e-17 297 63.546 9.47846 -2.98334 63.546000 Cu 0.922281 0.0134271 2.44565e-17 298 63.546 1.02574 -3.24436 63.546000 Cu 0.838744 0.0135251 0.5 299 63.546 6.90071 -3.10999 63.546000 Cu 0.857453 0.0387273 1 305 63.546 0.818148 -3.1653 63.546000 Cu 0.929632 0.0354658 0.5 307 63.546 0.381298 -3.21505 63.546000 Cu 0.0373939 0.075629 2.386e-19 333 63.546 0.0401531 -3.27858 63.546000 Cu 0.134525 0.0917125 1.193e-19 334 63.546 0.010254 -3.28244 63.546000 Cu 0.119331 0.0718841 0.5 335 63.546 0.0204131 -3.27976 63.546000 Cu 0.0526171 0.0955607 0.5 336 63.546 0.00420994 -3.28035 63.546000 Cu 0.203654 0.0680091 1 337 63.546 0.0436308 -3.27904 63.546000 Cu 0.216705 0.0879642 0.5 340 63.546 0.0343327 -3.28339 63.546000 Cu 0.229178 0.108388 2.386e-19 363 63.546 0.00679321 -3.28301 63.546000 Cu 0.297997 0.0847049 1 338 63.546 0.01689 -3.28126 63.546000 Cu 0.287741 0.0640293 0.5 339 63.546 0.15166 -3.27575 63.546000 Cu 0.367887 0.0608618 2.44565e-17 341 63.546 0.115325 -3.27148 63.546000 Cu 0.457544 0.0789457 1 342 63.546 0.0529789 -3.28066 63.546000 Cu 0.443776 0.0578706 0.5 343 63.546 0.0779646 -3.25959 63.546000 Cu 0.378108 0.0819393 0.5 344 63.546 0.0278476 -3.28116 63.546000 Cu 0.309627 0.105312 0.5 365 63.546 0.00377954 -3.28191 63.546000 Cu 0.39022 0.102326 5.96501e-20 367 63.546 0.0125557 -3.28134 63.546000 Cu 0.471262 0.0991405 0.5 369 63.546 0.0140392 -3.28056 63.546000 Cu 0.619331 0.0718841 4.12182e-17 346 63.546 0.0204131 -3.27976 63.546000 Cu 0.537394 0.075629 0.5 348 63.546 0.0401531 -3.27858 63.546000 Cu 0.703654 0.0680091 0.5 352 63.546 0.0436308 -3.27904 63.546000 Cu 0.552617 0.0955607 1.21388e-16 371 63.546 0.00420994 -3.28035 63.546000 Cu 0.634525 0.0917125 0.5 373 63.546 0.010254 -3.28244 63.546000 Cu 0.716705 0.0879642 1 375 63.546 0.0343327 -3.28339 63.546000 Cu 0.729178 0.108388 0.5 378 63.546 0.00679321 -3.28301 63.546000 Cu 0.943776 0.0578706 1 306 63.546 0.0779646 -3.25959 63.546000 Cu 0.867887 0.0608618 0.5 308 63.546 0.115325 -3.27148 63.546000 Cu 0.878108 0.0819393 2.44565e-17 329 63.546 0.0278476 -3.28116 63.546000 Cu 0.971262 0.0991405 0 330 63.546 0.0140392 -3.28056 63.546000 Cu 0.957544 0.0789457 0.5 331 63.546 0.0529789 -3.28066 63.546000 Cu 0.89022 0.102326 0.5 332 63.546 0.0125557 -3.28134 63.546000 Cu 0.787741 0.0640293 0 350 63.546 0.15166 -3.27575 63.546000 Cu 0.809627 0.105312 0 376 63.546 0.00377954 -3.28191 63.546000 Cu 0.797997 0.0847049 0.5 377 63.546 0.01689 -3.28126 63.546000 Cu 0.0668056 0.115479 2.44565e-17 359 63.546 0.00270295 -3.2827 63.546000 Cu 0.161353 0.132134 5.96501e-20 360 63.546 0.0024029 -3.2831 63.546000 Cu 0.148331 0.111831 0.5 361 63.546 0.00924047 -3.28358 63.546000 Cu 0.0802416 0.13556 0.5 362 63.546 0.00262776 -3.28362 63.546000 Cu 0.241915 0.128861 0.5 366 63.546 0.000732892 -3.28237 63.546000 Cu 0.0933535 0.155767 2.44565e-17 385 63.546 0.000815223 -3.28341 63.546000 Cu 0.174331 0.152451 0.5 387 63.546 0.000246656 -3.28281 63.546000 Cu 0.0121245 0.15916 0.5 383 63.546 0.000751343 -3.28356 63.546000 Cu 0.255039 0.149186 1.21448e-16 389 63.546 0.000843874 -3.28244 63.546000 Cu 0.322474 0.125678 1.7895e-19 364 63.546 0.00361074 -3.28216 63.546000 Cu 0.485051 0.119072 0 368 63.546 0.00145594 -3.28215 63.546000 Cu 0.403445 0.122457 0.5 370 63.546 0.00461025 -3.28217 63.546000 Cu 0.349492 0.166047 2.44565e-17 390 63.546 0.0003665 -3.28291 63.546000 Cu 0.335924 0.145896 0.5 391 63.546 0.00144272 -3.28253 63.546000 Cu 0.417101 0.142517 2.44565e-17 393 63.546 0.000802323 -3.28294 63.546000 Cu 0.498705 0.139057 0.5 395 63.546 0.000587323 -3.28344 63.546000 Cu 0.430732 0.162614 0.5 396 63.546 0.000100407 -3.2833 63.546000 Cu 0.512125 0.15916 1 394 63.546 0.000751343 -3.28356 63.546000 Cu 0.648331 0.111831 5.96501e-20 372 63.546 0.00924047 -3.28358 63.546000 Cu 0.566806 0.115479 0.5 374 63.546 0.00270295 -3.2827 63.546000 Cu 0.580242 0.13556 1.193e-19 397 63.546 0.00262776 -3.28362 63.546000 Cu 0.674331 0.152451 1.21269e-16 398 63.546 0.000246656 -3.28281 63.546000 Cu 0.661353 0.132134 0.5 399 63.546 0.0024029 -3.2831 63.546000 Cu 0.593353 0.155767 0.5 400 63.546 0.000815223 -3.28341 63.546000 Cu 0.741915 0.128861 2.44565e-17 401 63.546 0.000732892 -3.28237 63.546000 Cu 0.755039 0.149186 0.5 402 63.546 0.000843874 -3.28244 63.546000 Cu 0.835924 0.145896 6.43028e-17 353 63.546 0.00144272 -3.28253 63.546000 Cu 0.822474 0.125678 0.5 354 63.546 0.00361074 -3.28216 63.546000 Cu 0.903445 0.122457 2.44565e-17 355 63.546 0.00461025 -3.28217 63.546000 Cu 0.998705 0.139057 8.93559e-17 356 63.546 0.000587323 -3.28344 63.546000 Cu 0.985051 0.119072 0.5 357 63.546 0.00145594 -3.28215 63.546000 Cu 0.917101 0.142517 0.5 358 63.546 0.000802323 -3.28294 63.546000 Cu 0.849492 0.166047 0.5 380 63.546 0.0003665 -3.28291 63.546000 Cu 0.930732 0.162614 1.09697e-16 381 63.546 0.000100407 -3.2833 63.546000 Cu 0.187474 0.172719 2.44565e-17 386 63.546 0.000172434 -3.28283 63.546000 Cu 0.106533 0.176007 0.5 388 63.546 0.000124655 -3.28309 63.546000 Cu 0.0521807 0.219778 9.77069e-17 406 63.546 1.77022e-05 -3.28299 63.546000 Cu 0.0388715 0.199561 0.5 407 63.546 0.000150054 -3.28311 63.546000 Cu 0.119794 0.196246 1.94459e-16 409 63.546 4.52036e-05 -3.28297 63.546000 Cu 0.214219 0.213112 1.20791e-16 410 63.546 0.000160866 -3.28304 63.546000 Cu 0.200747 0.192933 0.5 411 63.546 0.000326669 -3.28292 63.546000 Cu 0.133168 0.216464 0.5 412 63.546 0.000174614 -3.28297 63.546000 Cu 0.0255015 0.179341 2.2846e-17 382 63.546 0.00051653 -3.28331 63.546000 Cu 0.268396 0.16941 0.5 392 63.546 0.000604208 -3.28277 63.546000 Cu 0.281851 0.189581 1.2109e-16 413 63.546 0.000258804 -3.28297 63.546000 Cu 0.37661 0.20632 2.44565e-17 414 63.546 6.88135e-05 -3.28323 63.546000 Cu 0.363051 0.186178 0.5 415 63.546 3.12288e-05 -3.28312 63.546000 Cu 0.295356 0.209723 0.5 416 63.546 3.87322e-05 -3.28309 63.546000 Cu 0.444322 0.182751 1 417 63.546 0.000170573 -3.28331 63.546000 Cu 0.457812 0.202915 0.5 420 63.546 0.000304582 -3.28325 63.546000 Cu 0.525501 0.179341 0.5 419 63.546 0.00051653 -3.28331 63.546000 Cu 0.538872 0.199561 1 418 63.546 0.000150054 -3.28311 63.546000 Cu 0.606533 0.176007 2.44565e-17 421 63.546 0.000124655 -3.28309 63.546000 Cu 0.700747 0.192933 4.78394e-17 422 63.546 0.000326669 -3.28292 63.546000 Cu 0.687474 0.172719 0.5 423 63.546 0.000172434 -3.28283 63.546000 Cu 0.619794 0.196246 0.5 424 63.546 4.52036e-05 -3.28297 63.546000 Cu 0.552181 0.219778 0.5 445 63.546 1.77022e-05 -3.28299 63.546000 Cu 0.633168 0.216464 0 447 63.546 0.000174614 -3.28297 63.546000 Cu 0.714219 0.213112 0.5 449 63.546 0.000160866 -3.28304 63.546000 Cu 0.768396 0.16941 1.84915e-17 425 63.546 0.000604208 -3.28277 63.546000 Cu 0.863051 0.186178 1.36837e-16 379 63.546 3.12288e-05 -3.28312 63.546000 Cu 0.944322 0.182751 0.5 384 63.546 0.000170573 -3.28331 63.546000 Cu 0.87661 0.20632 0.5 404 63.546 6.88135e-05 -3.28323 63.546000 Cu 0.957812 0.202915 1.86824e-16 405 63.546 0.000304582 -3.28325 63.546000 Cu 0.781851 0.189581 0.5 426 63.546 0.000258804 -3.28297 63.546000 Cu 0.795356 0.209723 1.77698e-16 451 63.546 3.87322e-05 -3.28309 63.546000 Cu 0.0789479 0.260166 2.44565e-17 432 63.546 4.43569e-05 -3.28301 63.546000 Cu 0.0655396 0.239978 0.5 433 63.546 2.83589e-05 -3.28295 63.546000 Cu 0.146614 0.236641 1.20434e-16 435 63.546 9.38388e-05 -3.28301 63.546000 Cu 0.241232 0.253421 2.44565e-17 436 63.546 5.09985e-06 -3.28316 63.546000 Cu 0.227774 0.233276 0.5 437 63.546 7.07239e-05 -3.28311 63.546000 Cu 0.160043 0.256807 0.5 438 63.546 5.78398e-05 -3.28313 63.546000 Cu 0.173494 0.276973 1.20911e-16 461 63.546 3.65191e-05 -3.28322 63.546000 Cu 0.254672 0.273577 0.5 463 63.546 2.74825e-05 -3.28319 63.546000 Cu 0.308909 0.229874 2.44565e-17 439 63.546 1.73785e-05 -3.28318 63.546000 Cu 0.403486 0.246661 0 440 63.546 4.3047e-05 -3.28312 63.546000 Cu 0.390056 0.226482 0.5 441 63.546 8.52117e-05 -3.28321 63.546000 Cu 0.322432 0.25004 0.5 442 63.546 8.65411e-05 -3.28312 63.546000 Cu 0.471144 0.223111 1 443 63.546 8.79058e-05 -3.28316 63.546000 Cu 0.484531 0.243308 0.5 446 63.546 1.99075e-05 -3.28305 63.546000 Cu 0.335804 0.270204 1 465 63.546 2.19007e-05 -3.28303 63.546000 Cu 0.416906 0.266845 0.5 467 63.546 3.09722e-05 -3.283 63.546000 Cu 0.497921 0.2635 1 469 63.546 3.80349e-06 -3.28297 63.546000 Cu 0.56554 0.239978 1 444 63.546 2.83589e-05 -3.28295 63.546000 Cu 0.727774 0.233276 0 448 63.546 7.07239e-05 -3.28311 63.546000 Cu 0.646614 0.236641 0.5 450 63.546 9.38388e-05 -3.28301 63.546000 Cu 0.578948 0.260166 0.5 471 63.546 4.43569e-05 -3.28301 63.546000 Cu 0.660043 0.256807 1 473 63.546 5.78398e-05 -3.28313 63.546000 Cu 0.741232 0.253421 0.5 475 63.546 5.09985e-06 -3.28316 63.546000 Cu 0.673494 0.276973 0.5 476 63.546 3.65191e-05 -3.28322 63.546000 Cu 0.754672 0.273577 1 474 63.546 2.74825e-05 -3.28319 63.546000 Cu 0.890056 0.226482 2.98847e-17 403 63.546 8.52117e-05 -3.28321 63.546000 Cu 0.971144 0.223111 0.5 408 63.546 8.79058e-05 -3.28316 63.546000 Cu 0.822432 0.25004 2.44565e-17 427 63.546 8.65411e-05 -3.28312 63.546000 Cu 0.916906 0.266845 6.21554e-17 428 63.546 3.09722e-05 -3.283 63.546000 Cu 0.903486 0.246661 0.5 429 63.546 4.3047e-05 -3.28312 63.546000 Cu 0.835804 0.270204 0.5 430 63.546 2.19007e-05 -3.28303 63.546000 Cu 0.984531 0.243308 1.20851e-16 431 63.546 1.99075e-05 -3.28305 63.546000 Cu 0.997921 0.2635 0.5 434 63.546 3.80349e-06 -3.28297 63.546000 Cu 0.808909 0.229874 0.5 452 63.546 1.73785e-05 -3.28318 63.546000 Cu 0.105848 0.300526 2.44565e-17 458 63.546 8.27783e-05 -3.2832 63.546000 Cu 0.092376 0.28035 0.5 459 63.546 7.76907e-05 -3.28309 63.546000 Cu 0.186999 0.297133 0.5 464 63.546 2.26742e-06 -3.2832 63.546000 Cu 0.0381004 0.324074 1.08444e-16 481 63.546 0.000203371 -3.28319 63.546000 Cu 0.119292 0.320687 0.5 483 63.546 5.35893e-05 -3.28325 63.546000 Cu 0.200509 0.317289 2.44565e-17 485 63.546 2.90944e-05 -3.28311 63.546000 Cu 0.0113263 0.283691 2.44565e-17 457 63.546 9.11797e-06 -3.28301 63.546000 Cu 0.0247365 0.303881 0.5 460 63.546 4.69599e-05 -3.28313 63.546000 Cu 0.268147 0.29374 2.2667e-18 462 63.546 3.90449e-05 -3.28312 63.546000 Cu 0.430274 0.28702 1.2109e-16 466 63.546 3.49002e-05 -3.28296 63.546000 Cu 0.349237 0.290371 0.5 468 63.546 4.22913e-05 -3.283 63.546000 Cu 0.281632 0.313903 0.5 487 63.546 0.000102273 -3.28303 63.546000 Cu 0.362714 0.310558 1.21209e-16 489 63.546 6.03915e-05 -3.283 63.546000 Cu 0.457099 0.32743 1.2097e-16 490 63.546 4.22906e-05 -3.28305 63.546000 Cu 0.443683 0.307211 0.5 491 63.546 3.75532e-05 -3.28301 63.546000 Cu 0.376119 0.330758 0.5 492 63.546 3.74909e-05 -3.28298 63.546000 Cu 0.511326 0.283691 0.5 472 63.546 9.11797e-06 -3.28301 63.546000 Cu 0.524736 0.303881 1 493 63.546 4.69599e-05 -3.28313 63.546000 Cu 0.592376 0.28035 3.28672e-17 470 63.546 7.76907e-05 -3.28309 63.546000 Cu 0.619292 0.320687 0 494 63.546 5.35893e-05 -3.28325 63.546000 Cu 0.605848 0.300526 0.5 495 63.546 8.27783e-05 -3.2832 63.546000 Cu 0.5381 0.324074 0.5 496 63.546 0.000203371 -3.28319 63.546000 Cu 0.686999 0.297133 2.1653e-17 497 63.546 2.26742e-06 -3.2832 63.546000 Cu 0.700509 0.317289 0.5 500 63.546 2.90944e-05 -3.28311 63.546000 Cu 0.768147 0.29374 0.5 499 63.546 3.90449e-05 -3.28312 63.546000 Cu 0.849237 0.290371 0 453 63.546 4.22913e-05 -3.283 63.546000 Cu 0.943683 0.307211 9.57384e-17 454 63.546 3.75532e-05 -3.28301 63.546000 Cu 0.930274 0.28702 0.5 455 63.546 3.49002e-05 -3.28296 63.546000 Cu 0.862714 0.310558 0.5 456 63.546 6.03915e-05 -3.283 63.546000 Cu 0.876119 0.330758 2.44565e-17 477 63.546 3.74909e-05 -3.28298 63.546000 Cu 0.957099 0.32743 0.5 479 63.546 4.22906e-05 -3.28305 63.546000 Cu 0.781632 0.313903 0 498 63.546 0.000102273 -3.28303 63.546000 Cu 0.132768 0.340827 0 482 63.546 0.000110818 -3.28316 63.546000 Cu 0.0515695 0.344251 0.5 484 63.546 0.000296102 -3.28328 63.546000 Cu 0.214015 0.337432 0.5 488 63.546 0.000173764 -3.28298 63.546000 Cu 0.0652236 0.364396 2.386e-19 507 63.546 0.000227306 -3.28322 63.546000 Cu 0.160319 0.381086 7.18784e-17 508 63.546 0.00168577 -3.28247 63.546000 Cu 0.146468 0.360949 0.5 509 63.546 0.000370384 -3.28285 63.546000 Cu 0.0791934 0.384489 0.5 510 63.546 0.000629203 -3.28291 63.546000 Cu 0.227611 0.357585 3.75796e-17 511 63.546 0.000566422 -3.28271 63.546000 Cu 0.241158 0.377792 0.5 514 63.546 0.000908475 -3.28244 63.546000 Cu 0.295121 0.334085 0 486 63.546 0.000138299 -3.28291 63.546000 Cu 0.321938 0.374531 5.96501e-17 512 63.546 0.000178418 -3.28289 63.546000 Cu 0.308602 0.354286 0.5 513 63.546 0.000179722 -3.28285 63.546000 Cu 0.389536 0.350986 8.29733e-17 515 63.546 4.03754e-05 -3.28311 63.546000 Cu 0.483981 0.367854 2.26611e-16 516 63.546 0.00102584 -3.28355 63.546000 Cu 0.470472 0.347652 0.5 517 63.546 0.000382152 -3.28325 63.546000 Cu 0.402878 0.371234 0.5 518 63.546 0.000712671 -3.28341 63.546000 Cu 0.497718 0.387967 0.5 543 63.546 0.000769261 -3.28348 63.546000 Cu 0.55157 0.344251 2.44565e-17 519 63.546 0.000296102 -3.28328 63.546000 Cu 0.646468 0.360949 2.44565e-17 520 63.546 0.000370384 -3.28285 63.546000 Cu 0.632768 0.340827 0.5 521 63.546 0.000110818 -3.28316 63.546000 Cu 0.565224 0.364396 0.5 522 63.546 0.000227306 -3.28322 63.546000 Cu 0.714015 0.337432 5.0285e-17 523 63.546 0.000173764 -3.28298 63.546000 Cu 0.727611 0.357585 0.5 526 63.546 0.000566422 -3.28271 63.546000 Cu 0.579193 0.384489 1.34809e-16 545 63.546 0.000629203 -3.28291 63.546000 Cu 0.660319 0.381086 0.5 547 63.546 0.00168577 -3.28247 63.546000 Cu 0.741158 0.377792 5.96501e-20 549 63.546 0.000908475 -3.28244 63.546000 Cu 0.970472 0.347652 1.10293e-16 478 63.546 0.000382152 -3.28325 63.546000 Cu 0.889536 0.350986 0.5 480 63.546 4.03754e-05 -3.28311 63.546000 Cu 0.821938 0.374531 0.5 502 63.546 0.000178418 -3.28289 63.546000 Cu 0.902878 0.371234 7.63521e-18 503 63.546 0.000712671 -3.28341 63.546000 Cu 0.997718 0.387967 1 504 63.546 0.000769261 -3.28348 63.546000 Cu 0.983981 0.367854 0.5 505 63.546 0.00102584 -3.28355 63.546000 Cu 0.808602 0.354286 1 524 63.546 0.000179722 -3.28285 63.546000 Cu 0.795121 0.334085 0.5 525 63.546 0.000138299 -3.28291 63.546000 Cu 0.0932504 0.404567 1.86705e-17 533 63.546 0.00433894 -3.28214 63.546000 Cu 0.18745 0.421688 1 534 63.546 0.00369819 -3.28185 63.546000 Cu 0.174123 0.401317 0.5 535 63.546 0.0032201 -3.28209 63.546000 Cu 0.106858 0.424695 0.5 536 63.546 0.0108989 -3.28116 63.546000 Cu 0.199601 0.442269 0.5 559 63.546 0.0146967 -3.28191 63.546000 Cu 0.025778 0.427862 1.193e-19 530 63.546 0.0141201 -3.2805 63.546000 Cu 0.0116944 0.407947 0.5 531 63.546 0.00121912 -3.28214 63.546000 Cu 0.25457 0.398111 2.44565e-17 537 63.546 0.000543694 -3.28241 63.546000 Cu 0.267773 0.418576 0.5 540 63.546 0.00557382 -3.28304 63.546000 Cu 0.348507 0.415137 3.0183e-17 538 63.546 0.00829251 -3.28376 63.546000 Cu 0.335122 0.394836 0.5 539 63.546 0.00217657 -3.28324 63.546000 Cu 0.416193 0.391433 1.45785e-16 541 63.546 0.00271537 -3.2837 63.546000 Cu 0.429913 0.411516 0.5 544 63.546 0.00319382 -3.28289 63.546000 Cu 0.280811 0.438997 6.50186e-18 561 63.546 0.0295085 -3.28404 63.546000 Cu 0.362728 0.435277 0.5 563 63.546 0.00982197 -3.28278 63.546000 Cu 0.444441 0.431445 1 565 63.546 0.00421587 -3.28045 63.546000 Cu 0.511694 0.407947 2.44565e-17 542 63.546 0.00121912 -3.28214 63.546000 Cu 0.525778 0.427862 0.5 567 63.546 0.0141201 -3.2805 63.546000 Cu 0.674123 0.401317 1.193e-19 546 63.546 0.0032201 -3.28209 63.546000 Cu 0.59325 0.404567 0.5 548 63.546 0.00433894 -3.28214 63.546000 Cu 0.606858 0.424695 1 569 63.546 0.0108989 -3.28116 63.546000 Cu 0.699601 0.442269 1 570 63.546 0.0146967 -3.28191 63.546000 Cu 0.68745 0.421688 0.5 571 63.546 0.00369819 -3.28185 63.546000 Cu 0.75457 0.398111 0.5 550 63.546 0.000543694 -3.28241 63.546000 Cu 0.767773 0.418576 1 573 63.546 0.00557382 -3.28304 63.546000 Cu 0.835122 0.394836 4.77201e-19 501 63.546 0.00217657 -3.28324 63.546000 Cu 0.916193 0.391433 0.5 506 63.546 0.00271537 -3.2837 63.546000 Cu 0.862728 0.435277 1.18107e-17 527 63.546 0.00982197 -3.28278 63.546000 Cu 0.848507 0.415137 0.5 528 63.546 0.00829251 -3.28376 63.546000 Cu 0.929913 0.411516 1 529 63.546 0.00319382 -3.28289 63.546000 Cu 0.944441 0.431445 0.5 532 63.546 0.00421587 -3.28045 63.546000 Cu 0.780811 0.438997 0.5 574 63.546 0.0295085 -3.28404 63.546000 Cu 0.0543479 0.469093 2.44565e-17 554 63.546 0.0734692 -3.25951 63.546000 Cu 0.039937 0.448048 0.5 555 63.546 0.0507971 -3.28034 63.546000 Cu 0.119404 0.445054 2.386e-19 557 63.546 0.0252178 -3.28136 63.546000 Cu 0.21047 0.462913 1.193e-19 558 63.546 0.132965 -3.2789 63.546000 Cu 0.130342 0.466064 0.5 560 63.546 0.110774 -3.27465 63.546000 Cu 0.0693606 0.491427 0.5 578 63.546 0.376182 -3.21189 63.546000 Cu 0.141487 0.488117 2.44565e-17 579 63.546 0.7923 -3.16547 63.546000 Cu 0.221501 0.482369 0.5 580 63.546 0.740158 -3.20181 63.546000 Cu 0.378365 0.455146 4.17551e-19 562 63.546 0.0192537 -3.27967 63.546000 Cu 0.294262 0.458986 0.5 564 63.546 0.0412809 -3.28016 63.546000 Cu 0.460115 0.451391 0.5 568 63.546 0.0355885 -3.27808 63.546000 Cu 0.308605 0.478273 5.96501e-20 581 63.546 0.0290489 -3.28165 63.546000 Cu 0.408506 0.493586 1 582 63.546 0.486877 -3.24552 63.546000 Cu 0.394146 0.474627 0.5 583 63.546 0.105998 -3.26862 63.546000 Cu 0.476954 0.471726 1 585 63.546 0.178185 -3.26879 63.546000 Cu 0.491075 0.492584 0.5 588 63.546 0.375106 -3.27336 63.546000 Cu 0.320435 0.496892 0.5 584 63.546 3.87999 -3.16771 63.546000 Cu 0.539937 0.448048 1 566 63.546 0.0507971 -3.28034 63.546000 Cu 0.619404 0.445054 0.5 572 63.546 0.0252178 -3.28136 63.546000 Cu 0.569361 0.491427 1 586 63.546 0.376182 -3.21189 63.546000 Cu 0.554348 0.469093 0.5 587 63.546 0.0734692 -3.25951 63.546000 Cu 0.630342 0.466064 4.17551e-19 589 63.546 0.110774 -3.27465 63.546000 Cu 0.721501 0.482369 1.7895e-19 590 63.546 0.740158 -3.20181 63.546000 Cu 0.71047 0.462913 0.5 591 63.546 0.132965 -3.2789 63.546000 Cu 0.641487 0.488117 0.5 592 63.546 0.7923 -3.16547 63.546000 Cu 0.808605 0.478273 0.5 1 63.546 0.0290489 -3.28165 63.546000 Cu 0.794262 0.458986 0 10 63.546 0.0412809 -3.28016 63.546000 Cu 0.894146 0.474627 1 551 63.546 0.105998 -3.26862 63.546000 Cu 0.878365 0.455146 0.5 552 63.546 0.0192537 -3.27967 63.546000 Cu 0.960115 0.451391 1.00212e-16 553 63.546 0.0355885 -3.27808 63.546000 Cu 0.976954 0.471726 0.5 556 63.546 0.178185 -3.26879 63.546000 Cu 0.908506 0.493586 0.5 576 63.546 0.486877 -3.24552 63.546000 Cu 0.991075 0.492584 1 577 63.546 0.375106 -3.27336 63.546000 Cu 0.820435 0.496892 2.44565e-17 575 63.546 3.87999 -3.16771 63.546000 Cu 0.077775 0.513436 2.44565e-17 5 63.546 1.02706 -3.24407 63.546000 Cu 0.161275 0.513499 0.5 7 63.546 6.89691 -3.10934 63.546000 Cu 0.236496 0.500535 2.44565e-17 8 63.546 9.46359 -2.98333 63.546000 Cu 0.070377 0.535479 0.5 29 63.546 0.382953 -3.21448 63.546000 Cu 0.142538 0.538749 4.49762e-17 31 63.546 0.817426 -3.16443 63.546000 Cu 0.237629 0.52649 1.21209e-16 9 63.546 9.33134 -2.97778 63.546000 Cu 0.222831 0.544635 0.5 34 63.546 0.743535 -3.19536 63.546000 Cu 0.33536 0.513576 2.44565e-17 11 63.546 6.45904 -2.98063 63.546000 Cu 0.409625 0.533477 2.44565e-17 12 63.546 0.508562 -3.24982 63.546000 Cu 0.414899 0.513531 0.5 13 63.546 0.702313 -3.28471 63.546000 Cu 0.321688 0.530295 0.5 14 63.546 3.76342 -3.16377 63.546000 Cu 0.310145 0.548787 1.43816e-16 35 63.546 0.0284459 -3.2797 63.546000 Cu 0.395956 0.552442 0.5 37 63.546 0.117452 -3.26948 63.546000 Cu 0.494829 0.513486 2.44565e-17 15 63.546 0.231256 -3.28024 63.546000 Cu 0.492159 0.5344 0.5 18 63.546 0.39389 -3.27618 63.546000 Cu 0.478818 0.555287 4.53341e-17 39 63.546 0.189884 -3.27088 63.546000 Cu 0.736496 0.500535 0.5 2 63.546 9.46359 -2.98333 63.546000 Cu 0.570377 0.535479 2.44565e-17 16 63.546 0.382953 -3.21448 63.546000 Cu 0.577775 0.513436 0.5 17 63.546 1.02706 -3.24407 63.546000 Cu 0.661275 0.513499 2.44565e-17 19 63.546 6.89691 -3.10934 63.546000 Cu 0.642538 0.538749 0.5 22 63.546 0.817426 -3.16443 63.546000 Cu 0.722831 0.544635 2.44565e-17 20 63.546 0.743535 -3.19536 63.546000 Cu 0.737629 0.52649 0.5 21 63.546 9.33134 -2.97778 63.546000 Cu 0.994829 0.513486 0.5 6 63.546 0.231256 -3.28024 63.546000 Cu 0.992159 0.5344 1 27 63.546 0.39389 -3.27618 63.546000 Cu 0.978818 0.555287 0.5 30 63.546 0.189884 -3.27088 63.546000 Cu 0.914899 0.513531 2.44565e-17 3 63.546 0.702313 -3.28471 63.546000 Cu 0.83536 0.513576 0.5 4 63.546 6.45904 -2.98063 63.546000 Cu 0.821688 0.530295 2.44565e-17 23 63.546 3.76342 -3.16377 63.546000 Cu 0.895956 0.552442 1 24 63.546 0.117452 -3.26948 63.546000 Cu 0.909625 0.533477 0.5 25 63.546 0.508562 -3.24982 63.546000 Cu 0.810145 0.548787 0.5 26 63.546 0.0284459 -3.2797 63.546000 Cu 0.0561886 0.557888 1 28 63.546 0.0784049 -3.25946 63.546000 Cu 0.132083 0.560878 0.5 32 63.546 0.114479 -3.27169 63.546000 Cu 0.212204 0.56404 2.79759e-17 33 63.546 0.151189 -3.27591 63.546000 Cu 0.0286461 0.599152 1 52 63.546 0.0138596 -3.28055 63.546000 Cu 0.0423829 0.578962 0.5 53 63.546 0.0533237 -3.28071 63.546000 Cu 0.121835 0.581959 1.21448e-16 55 63.546 0.0284417 -3.28117 63.546000 Cu 0.109676 0.602341 0.5 56 63.546 0.0123972 -3.2813 63.546000 Cu 0.190277 0.605328 1 57 63.546 0.0037226 -3.28189 63.546000 Cu 0.201928 0.58472 0.5 58 63.546 0.0166983 -3.28129 63.546000 Cu 0.380584 0.571889 5.67869e-17 36 63.546 0.0201727 -3.27975 63.546000 Cu 0.296272 0.568014 0.5 38 63.546 0.0436879 -3.2792 63.546000 Cu 0.462523 0.575637 0.5 42 63.546 0.0397387 -3.27859 63.546000 Cu 0.283191 0.587977 1 59 63.546 0.0341028 -3.28345 63.546000 Cu 0.365372 0.591718 0.5 61 63.546 0.0104898 -3.28245 63.546000 Cu 0.270727 0.608401 0.5 62 63.546 0.0066521 -3.283 63.546000 Cu 0.447271 0.595571 2.44565e-17 63 63.546 0.00430236 -3.28037 63.546000 Cu 0.542383 0.578962 1 40 63.546 0.0533237 -3.28071 63.546000 Cu 0.556189 0.557888 0.5 41 63.546 0.0784049 -3.25946 63.546000 Cu 0.632083 0.560878 2.44565e-17 43 63.546 0.114479 -3.27169 63.546000 Cu 0.701928 0.58472 1 44 63.546 0.0166983 -3.28129 63.546000 Cu 0.712204 0.56404 0.5 45 63.546 0.151189 -3.27591 63.546000 Cu 0.621835 0.581959 0.5 46 63.546 0.0284417 -3.28117 63.546000 Cu 0.528646 0.599152 0.5 65 63.546 0.0138596 -3.28055 63.546000 Cu 0.609676 0.602341 2.44565e-17 67 63.546 0.0123972 -3.2813 63.546000 Cu 0.690277 0.605328 0.5 69 63.546 0.0037226 -3.28189 63.546000 Cu 0.796272 0.568014 2.44565e-17 47 63.546 0.0436879 -3.2792 63.546000 Cu 0.865372 0.591718 1 48 63.546 0.0104898 -3.28245 63.546000 Cu 0.880584 0.571889 0.5 49 63.546 0.0201727 -3.27975 63.546000 Cu 0.783191 0.587977 0.5 50 63.546 0.0341028 -3.28345 63.546000 Cu 0.962523 0.575637 1 51 63.546 0.0397387 -3.27859 63.546000 Cu 0.947271 0.595571 0.5 54 63.546 0.00430236 -3.28037 63.546000 Cu 0.770727 0.608401 1 71 63.546 0.0066521 -3.283 63.546000 Cu 0.0011799 0.639068 2.44565e-17 76 63.546 0.000563066 -3.28344 63.546000 Cu 0.0148563 0.619083 0.5 77 63.546 0.00144169 -3.28219 63.546000 Cu 0.0964579 0.622472 2.44565e-17 79 63.546 0.00469418 -3.28222 63.546000 Cu 0.163979 0.645911 6.38256e-18 80 63.546 0.00164326 -3.28252 63.546000 Cu 0.0827831 0.642535 0.5 81 63.546 0.000814311 -3.28295 63.546000 Cu 0.177429 0.625693 0.5 82 63.546 0.00363502 -3.28217 63.546000 Cu 0.0691361 0.662622 2.15337e-17 103 63.546 9.94321e-05 -3.28328 63.546000 Cu 0.1504 0.666051 0.5 105 63.546 0.00035497 -3.2829 63.546000 Cu 0.244846 0.649192 0.5 86 63.546 0.000831593 -3.28242 63.546000 Cu 0.351572 0.611836 1 60 63.546 0.00924722 -3.28357 63.546000 Cu 0.433088 0.615488 0.5 66 63.546 0.00268196 -3.28269 63.546000 Cu 0.257973 0.628864 1 83 63.546 0.000706983 -3.28237 63.546000 Cu 0.325544 0.652454 2.386e-19 84 63.546 0.000251075 -3.2828 63.546000 Cu 0.338543 0.632138 0.5 85 63.546 0.0023735 -3.28311 63.546000 Cu 0.419629 0.635567 5.96501e-20 87 63.546 0.00271244 -3.2836 63.546000 Cu 0.406508 0.655771 0.5 90 63.546 0.000865028 -3.2834 63.546000 Cu 0.487731 0.659167 5.96501e-20 88 63.546 0.000837859 -3.28357 63.546000 Cu 0.514856 0.619083 2.44565e-17 64 63.546 0.00144169 -3.28219 63.546000 Cu 0.677429 0.625693 2.44565e-17 68 63.546 0.00363502 -3.28217 63.546000 Cu 0.596458 0.622472 0.5 70 63.546 0.00469418 -3.28222 63.546000 Cu 0.50118 0.639068 0.5 89 63.546 0.000563066 -3.28344 63.546000 Cu 0.582783 0.642535 2.44565e-17 91 63.546 0.000814311 -3.28295 63.546000 Cu 0.6504 0.666051 2.32635e-17 92 63.546 0.00035497 -3.2829 63.546000 Cu 0.663979 0.645911 0.5 93 63.546 0.00164326 -3.28252 63.546000 Cu 0.569136 0.662622 0.5 94 63.546 9.94321e-05 -3.28328 63.546000 Cu 0.744846 0.649192 9.52612e-17 95 63.546 0.000831593 -3.28242 63.546000 Cu 0.987731 0.659167 0.5 101 63.546 0.000837859 -3.28357 63.546000 Cu 0.838543 0.632138 0 72 63.546 0.0023735 -3.28311 63.546000 Cu 0.851572 0.611836 0.5 73 63.546 0.00924722 -3.28357 63.546000 Cu 0.757973 0.628864 0.5 74 63.546 0.000706983 -3.28237 63.546000 Cu 0.933088 0.615488 1 75 63.546 0.00268196 -3.28269 63.546000 Cu 0.919629 0.635567 0.5 78 63.546 0.00271244 -3.2836 63.546000 Cu 0.825544 0.652454 0.5 97 63.546 0.000251075 -3.2828 63.546000 Cu 0.906508 0.655771 5.96501e-20 99 63.546 0.000865028 -3.2834 63.546000 Cu 0.136865 0.686182 1 104 63.546 2.92091e-05 -3.28314 63.546000 Cu 0.0555927 0.682751 0.5 106 63.546 0.0001905 -3.28332 63.546000 Cu 0.21808 0.689584 0.5 110 63.546 0.000287706 -3.28296 63.546000 Cu 0.0421529 0.702913 0 127 63.546 0.000300903 -3.28324 63.546000 Cu 0.123321 0.70632 0.5 129 63.546 0.00010823 -3.28322 63.546000 Cu 0.204569 0.709728 1.193e-19 131 63.546 3.79248e-05 -3.28306 63.546000 Cu 0.231528 0.669415 1 107 63.546 0.000687481 -3.28272 63.546000 Cu 0.299133 0.692941 4.77201e-19 108 63.546 0.000313431 -3.28291 63.546000 Cu 0.312417 0.672721 0.5 109 63.546 0.00016074 -3.28284 63.546000 Cu 0.393354 0.676017 3.57901e-19 111 63.546 0.000101888 -3.28313 63.546000 Cu 0.461055 0.699565 7.99908e-17 112 63.546 0.000131591 -3.28312 63.546000 Cu 0.380108 0.696252 0.5 114 63.546 5.0966e-05 -3.28298 63.546000 Cu 0.285688 0.713113 0.5 133 63.546 0.000131038 -3.28294 63.546000 Cu 0.366783 0.716456 2.44565e-17 135 63.546 0.000132687 -3.28293 63.546000 Cu 0.447808 0.719774 0.5 137 63.546 2.55231e-05 -3.283 63.546000 Cu 0.474357 0.679351 0.5 113 63.546 0.000518029 -3.28334 63.546000 Cu 0.555593 0.682751 5.96501e-20 115 63.546 0.0001905 -3.28332 63.546000 Cu 0.623321 0.70632 1.2103e-16 116 63.546 0.00010823 -3.28322 63.546000 Cu 0.636865 0.686182 0.5 117 63.546 2.92091e-05 -3.28314 63.546000 Cu 0.542153 0.702913 0.5 118 63.546 0.000300903 -3.28324 63.546000 Cu 0.71808 0.689584 6.07238e-17 119 63.546 0.000287706 -3.28296 63.546000 Cu 0.704569 0.709728 0.5 122 63.546 3.79248e-05 -3.28306 63.546000 Cu 0.731528 0.669415 0.5 98 63.546 0.000687481 -3.28272 63.546000 Cu 0.974357 0.679351 1 100 63.546 0.000518029 -3.28334 63.546000 Cu 0.812417 0.672721 1.28844e-16 96 63.546 0.00016074 -3.28284 63.546000 Cu 0.893354 0.676017 0.5 102 63.546 0.000101888 -3.28313 63.546000 Cu 0.785688 0.713113 9.42472e-17 120 63.546 0.000131038 -3.28294 63.546000 Cu 0.799133 0.692941 0.5 121 63.546 0.000313431 -3.28291 63.546000 Cu 0.880108 0.696252 0 123 63.546 5.0966e-05 -3.28298 63.546000 Cu 0.947808 0.719774 0 124 63.546 2.55231e-05 -3.283 63.546000 Cu 0.961055 0.699565 0.5 125 63.546 0.000131591 -3.28312 63.546000 Cu 0.866783 0.716456 0.5 126 63.546 0.000132687 -3.28293 63.546000 Cu 0.109924 0.726484 0 128 63.546 8.43452e-05 -3.28323 63.546000 Cu 0.0288538 0.723113 0.5 130 63.546 5.60445e-05 -3.28316 63.546000 Cu 0.191088 0.729878 0.5 134 63.546 1.53477e-05 -3.28316 63.546000 Cu 0.0154938 0.743308 0 151 63.546 1.02563e-05 -3.28303 63.546000 Cu 0.0831695 0.766841 2.25477e-17 152 63.546 2.93858e-05 -3.283 63.546000 Cu 0.0965694 0.746665 0.5 153 63.546 2.45726e-05 -3.28311 63.546000 Cu 0.00211175 0.763494 0.5 154 63.546 6.81092e-06 -3.28299 63.546000 Cu 0.164296 0.770206 0.5 155 63.546 1.51889e-05 -3.28308 63.546000 Cu 0.177651 0.750041 5.96501e-20 156 63.546 3.37029e-05 -3.28315 63.546000 Cu 0.24544 0.773584 5.96501e-20 157 63.546 1.17145e-05 -3.28322 63.546000 Cu 0.272224 0.733267 5.96501e-20 132 63.546 4.58129e-05 -3.28305 63.546000 Cu 0.434464 0.739967 8.95348e-17 136 63.546 1.68309e-05 -3.28292 63.546000 Cu 0.353397 0.736623 0.5 138 63.546 4.87062e-05 -3.28298 63.546000 Cu 0.258852 0.753418 0.5 158 63.546 1.20172e-05 -3.28319 63.546000 Cu 0.339996 0.756795 3.34041e-17 159 63.546 3.506e-05 -3.28314 63.546000 Cu 0.421069 0.76015 0.5 161 63.546 8.60828e-06 -3.28303 63.546000 Cu 0.326578 0.776976 0.5 162 63.546 4.32581e-05 -3.28322 63.546000 Cu 0.528854 0.723113 2.44565e-17 139 63.546 5.60445e-05 -3.28316 63.546000 Cu 0.596569 0.746665 1.21149e-16 140 63.546 2.45726e-05 -3.28311 63.546000 Cu 0.609924 0.726484 0.5 141 63.546 8.43452e-05 -3.28323 63.546000 Cu 0.515494 0.743308 0.5 142 63.546 1.02563e-05 -3.28303 63.546000 Cu 0.691088 0.729878 1.40476e-16 143 63.546 1.53477e-05 -3.28316 63.546000 Cu 0.677651 0.750041 0.5 146 63.546 3.37029e-05 -3.28315 63.546000 Cu 0.502112 0.763494 0 163 63.546 6.81092e-06 -3.28299 63.546000 Cu 0.583169 0.766841 0.5 165 63.546 2.93858e-05 -3.283 63.546000 Cu 0.664296 0.770206 1 167 63.546 1.51889e-05 -3.28308 63.546000 Cu 0.74544 0.773584 0.5 169 63.546 1.17145e-05 -3.28322 63.546000 Cu 0.758852 0.753418 2.44565e-17 144 63.546 1.20172e-05 -3.28319 63.546000 Cu 0.772224 0.733267 0.5 145 63.546 4.58129e-05 -3.28305 63.546000 Cu 0.853397 0.736623 1.2956e-16 147 63.546 4.87062e-05 -3.28298 63.546000 Cu 0.921069 0.76015 8.8819e-17 148 63.546 8.60828e-06 -3.28303 63.546000 Cu 0.934464 0.739967 0.5 149 63.546 1.68309e-05 -3.28292 63.546000 Cu 0.839996 0.756795 0.5 150 63.546 3.506e-05 -3.28314 63.546000 Cu 0.826578 0.776976 1.20911e-16 171 63.546 4.32581e-05 -3.28322 63.546000 Cu 0.0564521 0.807207 2.98251e-19 176 63.546 3.94435e-05 -3.28304 63.546000 Cu 0.0698237 0.787013 0.5 177 63.546 5.80178e-05 -3.28299 63.546000 Cu 0.150874 0.790374 1.193e-19 179 63.546 3.51475e-05 -3.28301 63.546000 Cu 0.137448 0.810558 0.5 180 63.546 6.00583e-05 -3.28299 63.546000 Cu 0.218551 0.813909 1 181 63.546 9.134e-05 -3.28303 63.546000 Cu 0.0430628 0.827428 0.5 201 63.546 3.35982e-05 -3.28309 63.546000 Cu 0.124075 0.830754 4.77201e-19 203 63.546 5.23431e-05 -3.283 63.546000 Cu 0.231979 0.793751 0.5 182 63.546 1.94575e-05 -3.2831 63.546000 Cu 0.40769 0.780341 2.44565e-17 160 63.546 3.8794e-05 -3.28313 63.546000 Cu 0.313136 0.797143 0 183 63.546 1.44136e-05 -3.28317 63.546000 Cu 0.380883 0.820692 1.74178e-17 184 63.546 6.31357e-05 -3.28319 63.546000 Cu 0.39429 0.800528 0.5 185 63.546 8.51782e-05 -3.28316 63.546000 Cu 0.299696 0.8173 0.5 186 63.546 1.07395e-05 -3.28308 63.546000 Cu 0.462056 0.82407 0.5 190 63.546 0.000158736 -3.28321 63.546000 Cu 0.488741 0.783684 0.5 166 63.546 6.80427e-06 -3.28305 63.546000 Cu 0.47539 0.803874 2.94075e-17 187 63.546 2.62689e-05 -3.28311 63.546000 Cu 0.569824 0.787013 1.25206e-16 164 63.546 5.80178e-05 -3.28299 63.546000 Cu 0.650874 0.790374 0.5 170 63.546 3.51475e-05 -3.28301 63.546000 Cu 0.543063 0.827428 4.50358e-17 188 63.546 3.35982e-05 -3.28309 63.546000 Cu 0.556452 0.807207 0.5 189 63.546 3.94435e-05 -3.28304 63.546000 Cu 0.637448 0.810558 1.90761e-16 191 63.546 6.00583e-05 -3.28299 63.546000 Cu 0.718551 0.813909 0.5 193 63.546 9.134e-05 -3.28303 63.546000 Cu 0.624075 0.830754 0.5 194 63.546 5.23431e-05 -3.283 63.546000 Cu 0.731979 0.793751 1.21149e-16 168 63.546 1.94575e-05 -3.2831 63.546000 Cu 0.988741 0.783684 5.96501e-20 175 63.546 6.80427e-06 -3.28305 63.546000 Cu 0.97539 0.803874 0.5 178 63.546 2.62689e-05 -3.28311 63.546000 Cu 0.89429 0.800528 2.44565e-17 172 63.546 8.51782e-05 -3.28316 63.546000 Cu 0.90769 0.780341 0.5 173 63.546 3.8794e-05 -3.28313 63.546000 Cu 0.813136 0.797143 0.5 174 63.546 1.44136e-05 -3.28317 63.546000 Cu 0.799696 0.8173 2.44565e-17 195 63.546 1.07395e-05 -3.28308 63.546000 Cu 0.880883 0.820692 0.5 197 63.546 6.31357e-05 -3.28319 63.546000 Cu 0.962056 0.82407 1 199 63.546 0.000158736 -3.28321 63.546000 Cu 0.0297204 0.84765 1 200 63.546 0.000344039 -3.28327 63.546000 Cu 0.110679 0.850984 0.5 204 63.546 3.64698e-05 -3.28312 63.546000 Cu 0.191606 0.854286 1 205 63.546 0.000222112 -3.28285 63.546000 Cu 0.205094 0.834089 0.5 206 63.546 0.000142051 -3.28293 63.546000 Cu 0.00252852 0.887964 1.7895e-19 224 63.546 0.000743269 -3.28344 63.546000 Cu 0.0162247 0.867848 0.5 225 63.546 0.000878515 -3.28354 63.546000 Cu 0.0973583 0.871232 1 227 63.546 0.000730361 -3.28339 63.546000 Cu 0.178266 0.874535 0.5 230 63.546 0.000170294 -3.2829 63.546000 Cu 0.286216 0.837441 1 207 63.546 0.000145618 -3.28295 63.546000 Cu 0.353734 0.860964 3.38813e-17 208 63.546 0.000280944 -3.28288 63.546000 Cu 0.367434 0.840838 0.5 209 63.546 0.000117116 -3.28314 63.546000 Cu 0.272605 0.857592 0.5 210 63.546 0.000579622 -3.28273 63.546000 Cu 0.448624 0.844256 1 211 63.546 0.000313272 -3.28327 63.546000 Cu 0.434995 0.8644 0.5 214 63.546 0.000234524 -3.28321 63.546000 Cu 0.259048 0.877804 1 231 63.546 0.000858346 -3.28249 63.546000 Cu 0.339887 0.881101 0.5 233 63.546 0.00156873 -3.28248 63.546000 Cu 0.421051 0.884492 2.386e-19 235 63.546 0.000559522 -3.2829 63.546000 Cu 0.705094 0.834089 2.44565e-17 192 63.546 0.000142051 -3.28293 63.546000 Cu 0.516225 0.867848 2.386e-19 212 63.546 0.000878515 -3.28354 63.546000 Cu 0.52972 0.84765 0.5 213 63.546 0.000344039 -3.28327 63.546000 Cu 0.610679 0.850984 0 215 63.546 3.64698e-05 -3.28312 63.546000 Cu 0.678266 0.874535 0 216 63.546 0.000170294 -3.2829 63.546000 Cu 0.691606 0.854286 0.5 217 63.546 0.000222112 -3.28285 63.546000 Cu 0.597358 0.871232 0.5 218 63.546 0.000730361 -3.28339 63.546000 Cu 0.502529 0.887964 0.5 237 63.546 0.000743269 -3.28344 63.546000 Cu 0.867434 0.840838 1.65827e-17 196 63.546 0.000117116 -3.28314 63.546000 Cu 0.786216 0.837441 0.5 198 63.546 0.000145618 -3.28295 63.546000 Cu 0.948624 0.844256 0.5 202 63.546 0.000313272 -3.28327 63.546000 Cu 0.772605 0.857592 0 219 63.546 0.000579622 -3.28273 63.546000 Cu 0.839887 0.881101 1.70599e-17 220 63.546 0.00156873 -3.28248 63.546000 Cu 0.853734 0.860964 0.5 221 63.546 0.000280944 -3.28288 63.546000 Cu 0.759048 0.877804 0.5 222 63.546 0.000858346 -3.28249 63.546000 Cu 0.934995 0.8644 0 223 63.546 0.000234524 -3.28321 63.546000 Cu 0.921051 0.884492 0.5 226 63.546 0.000559522 -3.2829 63.546000 Cu 0.165065 0.894845 1 228 63.546 0.00207421 -3.28324 63.546000 Cu 0.0840173 0.891431 0.5 229 63.546 0.00260784 -3.28368 63.546000 Cu 0.0702898 0.911521 6.46011e-17 251 63.546 0.00317452 -3.2829 63.546000 Cu 0.13746 0.935281 5.96501e-20 252 63.546 0.00975278 -3.28276 63.546000 Cu 0.151676 0.915146 0.5 253 63.546 0.00812201 -3.28375 63.546000 Cu 0.0557304 0.931453 0.5 254 63.546 0.00405187 -3.28044 63.546000 Cu 0.219418 0.939 0.5 258 63.546 0.0293133 -3.28407 63.546000 Cu 0.245624 0.898128 0.5 234 63.546 0.000552375 -3.28242 63.546000 Cu 0.232451 0.918585 1 255 63.546 0.00575733 -3.28311 63.546000 Cu 0.326109 0.90132 1.7895e-19 232 63.546 0.00332294 -3.28208 63.546000 Cu 0.407028 0.904567 0.5 238 63.546 0.0039948 -3.28207 63.546000 Cu 0.300643 0.942275 1 256 63.546 0.0148645 -3.28194 63.546000 Cu 0.312805 0.92169 0.5 257 63.546 0.00342785 -3.28188 63.546000 Cu 0.39338 0.924693 1 259 63.546 0.0112242 -3.28116 63.546000 Cu 0.488543 0.907946 1 236 63.546 0.0012767 -3.28212 63.546000 Cu 0.474418 0.92787 0.5 261 63.546 0.013884 -3.2805 63.546000 Cu 0.584017 0.891431 5.96501e-20 239 63.546 0.00260784 -3.28368 63.546000 Cu 0.651676 0.915146 1 240 63.546 0.00812201 -3.28375 63.546000 Cu 0.665065 0.894845 0.5 241 63.546 0.00207421 -3.28324 63.546000 Cu 0.57029 0.911521 0.5 242 63.546 0.00317452 -3.2829 63.546000 Cu 0.55573 0.931453 0 263 63.546 0.00405187 -3.28044 63.546000 Cu 0.63746 0.935281 0.5 265 63.546 0.00975278 -3.28276 63.546000 Cu 0.719418 0.939 1 267 63.546 0.0293133 -3.28407 63.546000 Cu 0.745624 0.898128 1.193e-19 243 63.546 0.000552375 -3.28242 63.546000 Cu 0.732451 0.918585 0.5 246 63.546 0.00575733 -3.28311 63.546000 Cu 0.974418 0.92787 1.9267e-17 248 63.546 0.013884 -3.2805 63.546000 Cu 0.988543 0.907946 0.5 249 63.546 0.0012767 -3.28212 63.546000 Cu 0.812805 0.92169 2.386e-19 244 63.546 0.00342785 -3.28188 63.546000 Cu 0.826109 0.90132 0.5 245 63.546 0.00332294 -3.28208 63.546000 Cu 0.907028 0.904567 0 247 63.546 0.0039948 -3.28207 63.546000 Cu 0.89338 0.924693 0.5 250 63.546 0.0112242 -3.28116 63.546000 Cu 0.800643 0.942275 0.5 269 63.546 0.0148645 -3.28194 63.546000 Cu 0.179713 0.996908 1 302 63.546 3.89043 -3.16759 63.546000 Cu 0.0400441 0.951397 1.22283e-17 275 63.546 0.035862 -3.27803 63.546000 Cu 0.105996 0.974633 1.193e-19 276 63.546 0.105453 -3.26853 63.546000 Cu 0.12181 0.955149 0.5 277 63.546 0.0187831 -3.27968 63.546000 Cu 0.0231738 0.97173 0.5 278 63.546 0.178645 -3.26863 63.546000 Cu 0.205898 0.958981 1 279 63.546 0.0398848 -3.28026 63.546000 Cu 0.191523 0.978281 0.5 282 63.546 0.0293915 -3.28196 63.546000 Cu 0.00902808 0.992585 1 295 63.546 0.37441 -3.27304 63.546000 Cu 0.09161 0.993583 0.5 296 63.546 0.487575 -3.24491 63.546000 Cu 0.460212 0.948059 3.57901e-19 260 63.546 0.0505594 -3.28024 63.546000 Cu 0.380787 0.945067 0.5 262 63.546 0.0244686 -3.28127 63.546000 Cu 0.278585 0.982368 1.193e-19 280 63.546 0.74088 -3.2018 63.546000 Cu 0.289657 0.962917 0.5 281 63.546 0.131686 -3.27896 63.546000 Cu 0.369808 0.966077 1 283 63.546 0.110856 -3.27472 63.546000 Cu 0.430744 0.991433 0 284 63.546 0.37694 -3.21172 63.546000 Cu 0.445775 0.969109 0.5 285 63.546 0.0728043 -3.2593 63.546000 Cu 0.35859 0.988125 0.5 286 63.546 0.793723 -3.16516 63.546000 Cu 0.679713 0.996908 0.5 327 63.546 3.89043 -3.16759 63.546000 Cu 0.62181 0.955149 2.44565e-17 264 63.546 0.0187831 -3.27968 63.546000 Cu 0.540044 0.951397 0.5 266 63.546 0.035862 -3.27803 63.546000 Cu 0.705898 0.958981 0.5 270 63.546 0.0398848 -3.28026 63.546000 Cu 0.523174 0.97173 1 287 63.546 0.178645 -3.26863 63.546000 Cu 0.59161 0.993583 1.193e-17 288 63.546 0.487575 -3.24491 63.546000 Cu 0.605996 0.974633 0.5 289 63.546 0.105453 -3.26853 63.546000 Cu 0.509028 0.992585 0.5 290 63.546 0.37441 -3.27304 63.546000 Cu 0.691523 0.978281 2.44565e-17 291 63.546 0.0293915 -3.28196 63.546000 Cu 0.789657 0.962917 2.44565e-17 268 63.546 0.131686 -3.27896 63.546000 Cu 0.880787 0.945067 1.193e-19 271 63.546 0.0244686 -3.28127 63.546000 Cu 0.945775 0.969109 0 272 63.546 0.0728043 -3.2593 63.546000 Cu 0.960212 0.948059 0.5 273 63.546 0.0505594 -3.28024 63.546000 Cu 0.869808 0.966077 0.5 274 63.546 0.110856 -3.27472 63.546000 Cu 0.778585 0.982368 0.5 292 63.546 0.74088 -3.2018 63.546000 Cu 0.85859 0.988125 2.44565e-17 293 63.546 0.793723 -3.16516 63.546000 Cu 0.930744 0.991433 0.5 294 63.546 0.37694 -3.21172