Number of particles = 654 A = 1 Angstrom (basic length-scale) H0(1,1) = 23.0939 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 92.5894 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.62343 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 0.00993867 0.0180889 0.75 359 63.546 0.623759 -3.44715 63.546000 Cu 0.0724717 0.00680041 0.25 362 63.546 0.530598 -3.48749 63.546000 Cu 0.0596887 0.0331695 0.25 382 63.546 0.165092 -3.50571 63.546000 Cu 0.121967 0.0207273 0.75 384 63.546 0.0333532 -3.51838 63.546000 Cu 0.183737 0.0076206 0.25 386 63.546 0.0272472 -3.51769 63.546000 Cu 0.171033 0.0348902 0.25 387 63.546 0.00555523 -3.52086 63.546000 Cu 0.232762 0.0217335 0.75 385 63.546 0.00882292 -3.51752 63.546000 Cu 0.294124 0.00826323 0.25 388 63.546 0.048884 -3.51083 63.546000 Cu 0.281258 0.0362575 0.25 416 63.546 0.0253525 -3.52189 63.546000 Cu 0.342249 0.0231538 0.75 418 63.546 0.100787 -3.5202 63.546000 Cu 0.389927 0.0390503 0.25 421 63.546 0.0769833 -3.52665 63.546000 Cu 0.402918 0.0105165 0.25 420 63.546 0.316593 -3.511 63.546000 Cu 0.572472 0.00674951 0.75 331 63.546 0.522332 -3.48722 63.546000 Cu 0.509982 0.0180731 0.25 332 63.546 0.611935 -3.448 63.546000 Cu 0.498232 0.0444841 0.25 334 63.546 0.104022 -3.5021 63.546000 Cu 0.559777 0.0331268 0.75 336 63.546 0.163807 -3.50588 63.546000 Cu 0.449369 0.0275111 0.75 419 63.546 0.11066 -3.50414 63.546000 Cu 0.609287 0.0475851 0.25 339 63.546 0.0246915 -3.51948 63.546000 Cu 0.671097 0.0347875 0.75 337 63.546 0.0052832 -3.52068 63.546000 Cu 0.622003 0.0206498 0.25 338 63.546 0.0327219 -3.51826 63.546000 Cu 0.683728 0.00751436 0.75 340 63.546 0.0265966 -3.51767 63.546000 Cu 0.794115 0.00815277 0.75 341 63.546 0.0503776 -3.51096 63.546000 Cu 0.732773 0.0216152 0.25 342 63.546 0.00940706 -3.51726 63.546000 Cu 0.781261 0.0361447 0.75 354 63.546 0.027551 -3.5217 63.546000 Cu 0.889863 0.0389957 0.75 355 63.546 0.0771641 -3.52637 63.546000 Cu 0.842208 0.0230597 0.25 356 63.546 0.103141 -3.52003 63.546000 Cu 0.902937 0.0104427 0.75 358 63.546 0.321775 -3.51115 63.546000 Cu 0.949293 0.0274766 0.25 361 63.546 0.113932 -3.5035 63.546000 Cu 0.998144 0.0444945 0.75 380 63.546 0.105742 -3.50168 63.546000 Cu 0.109228 0.047651 0.75 381 63.546 0.024955 -3.51948 63.546000 Cu 0.0475786 0.05987 0.25 383 63.546 0.057688 -3.51458 63.546000 Cu 0.03542 0.0868184 0.25 408 63.546 0.0198308 -3.51921 63.546000 Cu 0.0968233 0.0746926 0.75 410 63.546 0.0143105 -3.52073 63.546000 Cu 0.158364 0.0621472 0.25 412 63.546 0.00351802 -3.52226 63.546000 Cu 0.145841 0.0894362 0.25 413 63.546 0.00207859 -3.52332 63.546000 Cu 0.207214 0.0768093 0.75 411 63.546 0.00292011 -3.52413 63.546000 Cu 0.21986 0.0493018 0.75 414 63.546 0.00504507 -3.52226 63.546000 Cu 0.329375 0.05137 0.75 415 63.546 0.0403866 -3.52647 63.546000 Cu 0.26845 0.0640609 0.25 417 63.546 0.0137766 -3.5249 63.546000 Cu 0.255825 0.0917479 0.25 448 63.546 0.00605455 -3.52573 63.546000 Cu 0.316767 0.0792485 0.75 450 63.546 0.0163514 -3.5267 63.546000 Cu 0.377422 0.0670323 0.25 452 63.546 0.02359 -3.52686 63.546000 Cu 0.365104 0.0947697 0.25 453 63.546 0.00757028 -3.52626 63.546000 Cu 0.547662 0.059836 0.75 333 63.546 0.0575648 -3.51467 63.546000 Cu 0.486403 0.0714328 0.25 335 63.546 0.0239356 -3.51693 63.546000 Cu 0.535491 0.0867905 0.75 346 63.546 0.0196405 -3.51916 63.546000 Cu 0.596888 0.0746399 0.25 348 63.546 0.0138866 -3.52056 63.546000 Cu 0.425693 0.0828961 0.75 451 63.546 0.00456584 -3.52364 63.546000 Cu 0.437704 0.0553372 0.75 454 63.546 0.0182679 -3.52089 63.546000 Cu 0.64587 0.0893729 0.75 347 63.546 0.00192843 -3.52316 63.546000 Cu 0.658401 0.0620678 0.75 350 63.546 0.0034205 -3.52234 63.546000 Cu 0.768433 0.0639767 0.75 351 63.546 0.0148495 -3.52512 63.546000 Cu 0.719883 0.049195 0.25 352 63.546 0.00575784 -3.52236 63.546000 Cu 0.707207 0.0767359 0.25 353 63.546 0.00315747 -3.52418 63.546000 Cu 0.755786 0.0916841 0.75 372 63.546 0.00640462 -3.52565 63.546000 Cu 0.829344 0.0512903 0.25 357 63.546 0.0420115 -3.52644 63.546000 Cu 0.865033 0.0947325 0.75 373 63.546 0.00787442 -3.52617 63.546000 Cu 0.816715 0.0791912 0.25 374 63.546 0.0169902 -3.52665 63.546000 Cu 0.877358 0.0669955 0.75 376 63.546 0.0235407 -3.5266 63.546000 Cu 0.986302 0.0714427 0.75 377 63.546 0.0243888 -3.51666 63.546000 Cu 0.937626 0.0553221 0.25 378 63.546 0.0184973 -3.52059 63.546000 Cu 0.925607 0.08288 0.25 379 63.546 0.00473967 -3.52333 63.546000 Cu 0.0845187 0.101836 0.75 407 63.546 0.00682617 -3.52205 63.546000 Cu 0.0233368 0.113955 0.25 409 63.546 0.00716121 -3.52159 63.546000 Cu 0.011246 0.141196 0.25 440 63.546 0.0024741 -3.52282 63.546000 Cu 0.0722877 0.129074 0.75 442 63.546 0.00295639 -3.52295 63.546000 Cu 0.182295 0.131764 0.75 443 63.546 0.000447073 -3.52477 63.546000 Cu 0.133459 0.116766 0.25 444 63.546 0.0010969 -3.52377 63.546000 Cu 0.194673 0.104294 0.75 446 63.546 0.00127627 -3.52477 63.546000 Cu 0.304308 0.10696 0.75 447 63.546 0.00628832 -3.52622 63.546000 Cu 0.243326 0.119342 0.25 449 63.546 0.0023858 -3.52549 63.546000 Cu 0.291989 0.134557 0.75 482 63.546 0.00263718 -3.52574 63.546000 Cu 0.352804 0.122366 0.25 484 63.546 0.00279075 -3.52568 63.546000 Cu 0.401467 0.137831 0.75 483 63.546 0.000474443 -3.52455 63.546000 Cu 0.523346 0.113925 0.75 343 63.546 0.0068077 -3.52154 63.546000 Cu 0.474386 0.0985923 0.25 344 63.546 0.00638733 -3.52119 63.546000 Cu 0.462299 0.125871 0.25 345 63.546 0.0019949 -3.52296 63.546000 Cu 0.584555 0.101786 0.25 349 63.546 0.00629149 -3.52194 63.546000 Cu 0.511229 0.14117 0.75 364 63.546 0.00218439 -3.52277 63.546000 Cu 0.572284 0.129027 0.25 366 63.546 0.0025766 -3.52302 63.546000 Cu 0.413594 0.110373 0.75 486 63.546 0.00130089 -3.5244 63.546000 Cu 0.633458 0.11671 0.75 368 63.546 0.00100583 -3.52387 63.546000 Cu 0.743307 0.119285 0.75 369 63.546 0.0025528 -3.52553 63.546000 Cu 0.694668 0.104232 0.25 370 63.546 0.00137868 -3.52475 63.546000 Cu 0.68229 0.131711 0.25 371 63.546 0.000443083 -3.5249 63.546000 Cu 0.791982 0.134502 0.25 400 63.546 0.00295632 -3.52565 63.546000 Cu 0.804259 0.106907 0.25 375 63.546 0.00674035 -3.52621 63.546000 Cu 0.852778 0.122328 0.75 402 63.546 0.00303391 -3.52561 63.546000 Cu 0.962305 0.125874 0.75 403 63.546 0.0019114 -3.52299 63.546000 Cu 0.91356 0.110357 0.25 404 63.546 0.00133413 -3.52444 63.546000 Cu 0.901474 0.137804 0.25 405 63.546 0.000500153 -3.52434 63.546000 Cu 0.974337 0.0985973 0.75 406 63.546 0.00630541 -3.52116 63.546000 Cu 0.0603011 0.156382 0.75 439 63.546 0.0013147 -3.5236 63.546000 Cu 0.121263 0.144133 0.25 445 63.546 0.000671662 -3.52411 63.546000 Cu 0.0485268 0.183736 0.75 474 63.546 0.000512766 -3.52394 63.546000 Cu 0.158429 0.186687 0.75 475 63.546 0.000118989 -3.52499 63.546000 Cu 0.109369 0.171522 0.25 476 63.546 0.000363969 -3.52445 63.546000 Cu 0.170221 0.159221 0.75 478 63.546 0.000219869 -3.52481 63.546000 Cu 0.279927 0.162101 0.75 479 63.546 0.00100959 -3.52526 63.546000 Cu 0.23108 0.146871 0.25 480 63.546 0.00111464 -3.52532 63.546000 Cu 0.219219 0.174384 0.25 481 63.546 0.000327311 -3.52526 63.546000 Cu 0.340692 0.149901 0.25 485 63.546 0.00104203 -3.52532 63.546000 Cu 0.268157 0.189617 0.75 514 63.546 0.000301544 -3.52519 63.546000 Cu 0.328834 0.177398 0.25 516 63.546 0.000449695 -3.5247 63.546000 Cu 0.389503 0.165274 0.75 518 63.546 0.000323518 -3.52447 63.546000 Cu 0.499354 0.168483 0.75 363 63.546 0.000617717 -3.52372 63.546000 Cu 0.560291 0.156337 0.25 367 63.546 0.00100802 -3.52367 63.546000 Cu 0.548492 0.183689 0.25 392 63.546 0.000401261 -3.52398 63.546000 Cu 0.45034 0.153212 0.25 519 63.546 0.000609232 -3.52371 63.546000 Cu 0.438558 0.180587 0.25 520 63.546 0.000190762 -3.52394 63.546000 Cu 0.609365 0.17147 0.75 394 63.546 0.000320018 -3.52451 63.546000 Cu 0.621262 0.144083 0.75 365 63.546 0.000612916 -3.52419 63.546000 Cu 0.71927 0.174314 0.75 395 63.546 0.000389092 -3.52524 63.546000 Cu 0.670242 0.159168 0.25 396 63.546 0.000180434 -3.52481 63.546000 Cu 0.658451 0.186615 0.25 397 63.546 9.31602e-05 -3.52488 63.546000 Cu 0.731096 0.146814 0.75 398 63.546 0.00113894 -3.52533 63.546000 Cu 0.779995 0.162032 0.25 401 63.546 0.00126819 -3.52535 63.546000 Cu 0.768249 0.189532 0.25 432 63.546 0.000474237 -3.52516 63.546000 Cu 0.840745 0.149844 0.75 399 63.546 0.00141368 -3.52514 63.546000 Cu 0.828945 0.177328 0.75 434 63.546 0.000711044 -3.52481 63.546000 Cu 0.93865 0.180582 0.75 435 63.546 0.000193678 -3.5238 63.546000 Cu 0.889611 0.16523 0.25 436 63.546 0.000257718 -3.52438 63.546000 Cu 0.950387 0.153208 0.75 438 63.546 0.000582716 -3.5236 63.546000 Cu 0.999409 0.168508 0.25 441 63.546 0.000812222 -3.52365 63.546000 Cu 0.0369053 0.211115 0.75 471 63.546 0.000179485 -3.52416 63.546000 Cu 0.0976392 0.198929 0.25 477 63.546 0.0001758 -3.52437 63.546000 Cu 0.0860287 0.226356 0.25 508 63.546 0.000148918 -3.52444 63.546000 Cu 0.146742 0.214149 0.75 510 63.546 0.000101549 -3.52466 63.546000 Cu 0.195771 0.229379 0.25 513 63.546 4.13617e-05 -3.52479 63.546000 Cu 0.207415 0.201889 0.25 512 63.546 5.39873e-05 -3.52504 63.546000 Cu 0.256434 0.217124 0.75 511 63.546 3.46811e-05 -3.52506 63.546000 Cu 0.377846 0.192708 0.75 515 63.546 0.000119455 -3.52446 63.546000 Cu 0.317111 0.204882 0.25 517 63.546 0.000217254 -3.52509 63.546000 Cu 0.305511 0.232357 0.25 548 63.546 5.57262e-05 -3.52485 63.546000 Cu 0.366228 0.220143 0.75 550 63.546 8.98583e-05 -3.52448 63.546000 Cu 0.476116 0.223216 0.75 389 63.546 2.00517e-05 -3.52416 63.546000 Cu 0.487721 0.19584 0.75 390 63.546 0.000120906 -3.52386 63.546000 Cu 0.597639 0.198865 0.75 391 63.546 0.000144313 -3.5242 63.546000 Cu 0.536893 0.211062 0.25 393 63.546 0.000126393 -3.52414 63.546000 Cu 0.586042 0.226271 0.75 426 63.546 0.000107913 -3.52444 63.546000 Cu 0.426941 0.207975 0.25 551 63.546 5.06944e-05 -3.52423 63.546000 Cu 0.415319 0.235369 0.25 552 63.546 9.34697e-05 -3.52407 63.546000 Cu 0.695863 0.229272 0.75 427 63.546 5.4689e-05 -3.52487 63.546000 Cu 0.646799 0.214052 0.25 428 63.546 7.35019e-05 -3.52459 63.546000 Cu 0.707504 0.201796 0.75 430 63.546 0.000106721 -3.52498 63.546000 Cu 0.756566 0.217024 0.25 433 63.546 8.76881e-05 -3.52507 63.546000 Cu 0.805626 0.232269 0.75 466 63.546 0.000140579 -3.5248 63.546000 Cu 0.817213 0.204797 0.75 431 63.546 0.000413245 -3.52504 63.546000 Cu 0.877955 0.192656 0.25 437 63.546 0.000163825 -3.52437 63.546000 Cu 0.915406 0.235354 0.75 467 63.546 7.99281e-05 -3.52398 63.546000 Cu 0.866328 0.220085 0.25 468 63.546 0.000159144 -3.52448 63.546000 Cu 0.927019 0.207961 0.75 470 63.546 4.01981e-05 -3.52411 63.546000 Cu 0.987756 0.195867 0.25 472 63.546 0.000249638 -3.52374 63.546000 Cu 0.976172 0.223245 0.25 473 63.546 4.42557e-05 -3.52394 63.546000 Cu 0.0252671 0.238506 0.75 506 63.546 5.79156e-05 -3.52405 63.546000 Cu 0.13503 0.241607 0.75 507 63.546 0.000126206 -3.52466 63.546000 Cu 0.0743364 0.253787 0.25 509 63.546 0.000154362 -3.52442 63.546000 Cu 0.0626787 0.281225 0.25 540 63.546 0.000272035 -3.5245 63.546000 Cu 0.123352 0.269075 0.75 542 63.546 0.000275477 -3.52482 63.546000 Cu 0.184067 0.256862 0.25 544 63.546 0.000124549 -3.52491 63.546000 Cu 0.172405 0.284362 0.25 545 63.546 0.000543009 -3.5251 63.546000 Cu 0.0136043 0.265902 0.75 503 63.546 7.05799e-05 -3.52398 63.546000 Cu 0.233099 0.272104 0.75 543 63.546 0.000173456 -3.52496 63.546000 Cu 0.244757 0.244611 0.75 546 63.546 2.61219e-05 -3.52495 63.546000 Cu 0.354549 0.247573 0.75 547 63.546 0.00010833 -3.5246 63.546000 Cu 0.293786 0.259833 0.25 549 63.546 6.18646e-05 -3.52479 63.546000 Cu 0.342873 0.275016 0.75 582 63.546 0.000191804 -3.52436 63.546000 Cu 0.525203 0.238451 0.25 424 63.546 2.92401e-05 -3.52422 63.546000 Cu 0.403653 0.262782 0.25 584 63.546 0.000182391 -3.5241 63.546000 Cu 0.464405 0.250606 0.75 422 63.546 3.99865e-05 -3.52394 63.546000 Cu 0.574269 0.253693 0.75 423 63.546 6.84976e-05 -3.5244 63.546000 Cu 0.513508 0.265848 0.25 425 63.546 6.35598e-05 -3.52394 63.546000 Cu 0.562647 0.281116 0.75 458 63.546 0.00017458 -3.52451 63.546000 Cu 0.452768 0.277989 0.75 583 63.546 0.000417834 -3.5238 63.546000 Cu 0.635049 0.241493 0.25 429 63.546 3.41592e-05 -3.52468 63.546000 Cu 0.672442 0.284217 0.75 459 63.546 0.000308532 -3.52506 63.546000 Cu 0.623349 0.268945 0.25 460 63.546 0.000111197 -3.52482 63.546000 Cu 0.684063 0.25674 0.75 462 63.546 7.91181e-05 -3.52489 63.546000 Cu 0.793866 0.259727 0.75 463 63.546 4.82601e-05 -3.52487 63.546000 Cu 0.744823 0.244501 0.25 464 63.546 1.31161e-05 -3.52501 63.546000 Cu 0.733137 0.27197 0.25 465 63.546 6.6907e-05 -3.52503 63.546000 Cu 0.85463 0.247508 0.25 469 63.546 0.000185037 -3.52456 63.546000 Cu 0.842966 0.27493 0.25 500 63.546 0.000217922 -3.52436 63.546000 Cu 0.90374 0.262748 0.75 502 63.546 0.00021165 -3.52402 63.546000 Cu 0.964508 0.250621 0.25 504 63.546 3.13703e-05 -3.52385 63.546000 Cu 0.952863 0.27799 0.25 505 63.546 0.000501446 -3.52377 63.546000 Cu 0.111888 0.296558 0.75 539 63.546 0.000466428 -3.52489 63.546000 Cu 0.0513991 0.308678 0.25 541 63.546 0.000327458 -3.52424 63.546000 Cu 0.100631 0.324063 0.75 574 63.546 0.00111308 -3.52507 63.546000 Cu 0.161105 0.311876 0.25 576 63.546 0.000957518 -3.52537 63.546000 Cu 0.00211031 0.29331 0.75 538 63.546 0.00015776 -3.52401 63.546000 Cu 0.210302 0.327134 0.75 575 63.546 0.00142146 -3.52542 63.546000 Cu 0.221608 0.299609 0.75 578 63.546 0.000590626 -3.52514 63.546000 Cu 0.331504 0.302443 0.75 579 63.546 0.0001983 -3.52443 63.546000 Cu 0.282187 0.287305 0.25 580 63.546 0.000244097 -3.52474 63.546000 Cu 0.270906 0.314775 0.25 581 63.546 0.000236286 -3.5249 63.546000 Cu 0.392126 0.290181 0.25 585 63.546 0.000478289 -3.52411 63.546000 Cu 0.320232 0.329865 0.75 612 63.546 0.000355441 -3.52432 63.546000 Cu 0.380904 0.317566 0.25 614 63.546 0.000932826 -3.52387 63.546000 Cu 0.551419 0.308558 0.75 455 63.546 0.000142389 -3.52432 63.546000 Cu 0.502078 0.293245 0.25 456 63.546 0.000196053 -3.52408 63.546000 Cu 0.490902 0.320639 0.25 457 63.546 0.000593589 -3.52351 63.546000 Cu 0.430328 0.33273 0.75 613 63.546 0.00189087 -3.5231 63.546000 Cu 0.441524 0.305378 0.75 616 63.546 0.00066596 -3.52381 63.546000 Cu 0.611903 0.296415 0.25 461 63.546 0.000221775 -3.5248 63.546000 Cu 0.60063 0.323914 0.25 492 63.546 0.000646862 -3.52508 63.546000 Cu 0.661132 0.311713 0.75 494 63.546 0.000566253 -3.52521 63.546000 Cu 0.770904 0.314635 0.75 495 63.546 0.000177591 -3.52484 63.546000 Cu 0.721636 0.299457 0.25 496 63.546 0.000347965 -3.525 63.546000 Cu 0.710328 0.326974 0.25 497 63.546 0.00104261 -3.52541 63.546000 Cu 0.782254 0.287181 0.75 498 63.546 0.000138676 -3.52483 63.546000 Cu 0.892195 0.290132 0.75 499 63.546 0.000596202 -3.52398 63.546000 Cu 0.831529 0.302341 0.25 501 63.546 0.000345373 -3.52431 63.546000 Cu 0.820244 0.32975 0.25 532 63.546 0.000552629 -3.52439 63.546000 Cu 0.880907 0.317496 0.75 534 63.546 0.00132887 -3.52378 63.546000 Cu 0.990918 0.32069 0.75 535 63.546 0.000560106 -3.52326 63.546000 Cu 0.941543 0.305374 0.25 536 63.546 0.000830459 -3.52359 63.546000 Cu 0.930353 0.332711 0.25 537 63.546 0.00223462 -3.52289 63.546000 Cu 0.0893942 0.351612 0.75 571 63.546 0.00296734 -3.52523 63.546000 Cu 0.0402373 0.336119 0.25 572 63.546 0.000544686 -3.52397 63.546000 Cu 0.0289922 0.363586 0.25 573 63.546 0.00151153 -3.52384 63.546000 Cu 0.149796 0.339434 0.25 577 63.546 0.00265233 -3.52563 63.546000 Cu 0.0778638 0.379218 0.75 604 63.546 0.00735015 -3.52592 63.546000 Cu 0.138343 0.367061 0.25 606 63.546 0.00689418 -3.52606 63.546000 Cu 0.198906 0.354688 0.75 608 63.546 0.00300357 -3.52565 63.546000 Cu 0.308845 0.35726 0.75 609 63.546 0.000886273 -3.52395 63.546000 Cu 0.25955 0.342255 0.25 610 63.546 0.000570674 -3.52494 63.546000 Cu 0.248012 0.369758 0.25 611 63.546 0.00149489 -3.52483 63.546000 Cu 0.369645 0.344918 0.25 615 63.546 0.00211039 -3.52333 63.546000 Cu 0.358173 0.3722 0.25 636 63.546 0.00525111 -3.52233 63.546000 Cu 0.528941 0.363488 0.75 487 63.546 0.00119406 -3.52402 63.546000 Cu 0.479726 0.34801 0.25 488 63.546 0.00202118 -3.52305 63.546000 Cu 0.468411 0.375325 0.25 489 63.546 0.00620064 -3.52135 63.546000 Cu 0.540198 0.336003 0.75 490 63.546 0.000361402 -3.52422 63.546000 Cu 0.589322 0.351462 0.25 493 63.546 0.00197984 -3.52533 63.546000 Cu 0.577814 0.379077 0.25 524 63.546 0.00590494 -3.52579 63.546000 Cu 0.419068 0.360024 0.75 638 63.546 0.00558094 -3.52197 63.546000 Cu 0.649777 0.339263 0.75 491 63.546 0.00183261 -3.5257 63.546000 Cu 0.638263 0.366882 0.75 526 63.546 0.00518741 -3.52597 63.546000 Cu 0.747951 0.369596 0.75 527 63.546 0.00130914 -3.52499 63.546000 Cu 0.698848 0.354518 0.25 528 63.546 0.00243627 -3.52568 63.546000 Cu 0.759548 0.342112 0.75 530 63.546 0.000510507 -3.52507 63.546000 Cu 0.808839 0.357133 0.25 533 63.546 0.001045 -3.52414 63.546000 Cu 0.869675 0.344833 0.75 531 63.546 0.00273918 -3.52324 63.546000 Cu 0.858163 0.372091 0.75 566 63.546 0.00625311 -3.52233 63.546000 Cu 0.968423 0.375333 0.75 567 63.546 0.00645645 -3.52103 63.546000 Cu 0.91911 0.359968 0.25 568 63.546 0.00713552 -3.52169 63.546000 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