Number of particles = 652 A = 1 Angstrom (basic length-scale) H0(1,1) = 23.1378 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 92.5964 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61401 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 0.0856825 0.0318996 1 338 63.546 0.0224744 -3.51198 63.546000 Cu 0.0368391 0.0172414 0.5 339 63.546 0.0101976 -3.51125 63.546000 Cu 0.0976327 0.00371915 1 341 63.546 0.0385252 -3.50398 63.546000 Cu 0.14639 0.0187135 0.5 343 63.546 0.0893056 -3.50739 63.546000 Cu 0.207037 0.00574315 1 342 63.546 0.363197 -3.49686 63.546000 Cu 0.254204 0.0230208 0.5 357 63.546 0.0755801 -3.4828 63.546000 Cu 0.194572 0.0346218 1 355 63.546 0.0819792 -3.51269 63.546000 Cu 0.314486 0.0131678 5.835e-17 359 63.546 0.426367 -3.45278 63.546000 Cu 0.426032 0.0161556 3e-20 360 63.546 0.0457238 -3.51187 63.546000 Cu 0.376353 0.00189789 0.5 361 63.546 0.418686 -3.49033 63.546000 Cu 0.364562 0.028512 0.5 362 63.546 0.128783 -3.50142 63.546000 Cu 0.48714 0.00297137 0.5 363 63.546 0.0247783 -3.51336 63.546000 Cu 0.475406 0.0304893 0.5 383 63.546 0.0077384 -3.51379 63.546000 Cu 0.536839 0.0172414 3e-20 385 63.546 0.0101976 -3.51125 63.546000 Cu 0.585682 0.0318996 0.5 388 63.546 0.0224744 -3.51198 63.546000 Cu 0.64639 0.0187135 1 386 63.546 0.0893056 -3.50739 63.546000 Cu 0.597633 0.00371915 0.5 387 63.546 0.0385252 -3.50398 63.546000 Cu 0.707037 0.00574315 0.5 389 63.546 0.363197 -3.49686 63.546000 Cu 0.694572 0.0346218 0.5 417 63.546 0.0819792 -3.51269 63.546000 Cu 0.754204 0.0230208 1 419 63.546 0.0755801 -3.4828 63.546000 Cu 0.814486 0.0131678 0.5 421 63.546 0.426367 -3.45278 63.546000 Cu 0.864562 0.028512 1 420 63.546 0.128783 -3.50142 63.546000 Cu 0.876353 0.00189789 0 331 63.546 0.418686 -3.49033 63.546000 Cu 0.98714 0.00297137 1 332 63.546 0.0247783 -3.51336 63.546000 Cu 0.926032 0.0161556 0.5 333 63.546 0.0457238 -3.51187 63.546000 Cu 0.975406 0.0304893 1 337 63.546 0.0077384 -3.51379 63.546000 Cu 0.0243699 0.0450074 0.5 340 63.546 0.00469019 -3.51466 63.546000 Cu 0.0729648 0.0598604 1 351 63.546 0.0123118 -3.51626 63.546000 Cu 0.133852 0.0470966 0.5 353 63.546 0.0406123 -3.51513 63.546000 Cu 0.181982 0.0628172 1 352 63.546 0.0236347 -3.51676 63.546000 Cu 0.242158 0.0511322 0.5 358 63.546 0.0144746 -3.50905 63.546000 Cu 0.291015 0.0671042 1.5009e-16 377 63.546 0.0161128 -3.51335 63.546000 Cu 0.302744 0.0399163 8.90099e-17 356 63.546 0.0778271 -3.50242 63.546000 Cu 0.401453 0.0703962 1 378 63.546 0.0126265 -3.51495 63.546000 Cu 0.352205 0.0553531 0.5 379 63.546 0.0294415 -3.51157 63.546000 Cu 0.413805 0.0432771 1 381 63.546 0.0319417 -3.51218 63.546000 Cu 0.52437 0.0450074 4.479e-17 382 63.546 0.00469019 -3.51466 63.546000 Cu 0.462919 0.0579098 0.5 384 63.546 0.00662248 -3.51531 63.546000 Cu 0.572965 0.0598604 0.5 413 63.546 0.0123118 -3.51626 63.546000 Cu 0.633852 0.0470966 1 415 63.546 0.0406123 -3.51513 63.546000 Cu 0.681982 0.0628172 0.5 418 63.546 0.0236347 -3.51676 63.546000 Cu 0.742158 0.0511322 1 416 63.546 0.0144746 -3.50905 63.546000 Cu 0.802744 0.0399163 0.5 422 63.546 0.0778271 -3.50242 63.546000 Cu 0.791015 0.0671042 0.5 453 63.546 0.0161128 -3.51335 63.546000 Cu 0.852205 0.0553531 0 455 63.546 0.0294415 -3.51157 63.546000 Cu 0.962919 0.0579098 5.535e-17 334 63.546 0.00662248 -3.51531 63.546000 Cu 0.913805 0.0432771 0.5 335 63.546 0.0319417 -3.51218 63.546000 Cu 0.901453 0.0703962 0.5 336 63.546 0.0126265 -3.51495 63.546000 Cu 0.060442 0.0876275 1 348 63.546 0.00585452 -3.51794 63.546000 Cu 0.121377 0.0751022 0.5 354 63.546 0.0162276 -3.51828 63.546000 Cu 0.108955 0.102883 0.5 371 63.546 0.00616502 -3.51862 63.546000 Cu 0.0117952 0.0726459 0.5 349 63.546 0.00219845 -3.51688 63.546000 Cu 0.169702 0.0906627 1 373 63.546 0.00669148 -3.5181 63.546000 Cu 0.279076 0.0944061 9.53699e-17 374 63.546 0.00420074 -3.51614 63.546000 Cu 0.230282 0.078775 0.5 375 63.546 0.00354921 -3.51597 63.546000 Cu 0.218224 0.106304 0.5 376 63.546 0.000949376 -3.51734 63.546000 Cu 0.34014 0.0824835 0.5 380 63.546 0.00884153 -3.51535 63.546000 Cu 0.389179 0.0976263 1 407 63.546 0.004599 -3.51657 63.546000 Cu 0.499349 0.10021 8.13e-17 408 63.546 0.000976359 -3.51756 63.546000 Cu 0.450519 0.0852857 0.5 409 63.546 0.00355055 -3.51653 63.546000 Cu 0.511795 0.0726459 1 411 63.546 0.00219845 -3.51688 63.546000 Cu 0.560442 0.0876275 0.5 414 63.546 0.00585452 -3.51794 63.546000 Cu 0.621377 0.0751022 8.63699e-17 412 63.546 0.0162276 -3.51828 63.546000 Cu 0.608955 0.102883 1.4388e-16 447 63.546 0.00616502 -3.51862 63.546000 Cu 0.669702 0.0906627 0.5 449 63.546 0.00669148 -3.5181 63.546000 Cu 0.718224 0.106304 8.48999e-18 448 63.546 0.000949376 -3.51734 63.546000 Cu 0.730282 0.078775 0 451 63.546 0.00354921 -3.51597 63.546000 Cu 0.84014 0.0824835 7.092e-17 452 63.546 0.00884153 -3.51535 63.546000 Cu 0.779076 0.0944061 0.5 454 63.546 0.00420074 -3.51614 63.546000 Cu 0.889179 0.0976263 0.5 345 63.546 0.004599 -3.51657 63.546000 Cu 0.950519 0.0852857 1 347 63.546 0.00355055 -3.51653 63.546000 Cu 0.999349 0.10021 0.5 350 63.546 0.000976359 -3.51756 63.546000 Cu 0.0479886 0.115283 1 369 63.546 0.00230861 -3.51835 63.546000 Cu 0.0965949 0.130533 0.5 372 63.546 0.00217623 -3.51863 63.546000 Cu 0.0356103 0.142853 0 366 63.546 0.000874062 -3.51834 63.546000 Cu 0.157458 0.118321 0 370 63.546 0.00228729 -3.51828 63.546000 Cu 0.206107 0.133792 0.5 401 63.546 0.000306188 -3.51774 63.546000 Cu 0.266997 0.12178 2.733e-17 403 63.546 0.00120793 -3.51709 63.546000 Cu 0.376892 0.124953 7.083e-17 404 63.546 0.00190949 -3.5172 63.546000 Cu 0.328003 0.109748 0.5 405 63.546 0.00293166 -3.51673 63.546000 Cu 0.31585 0.137101 0.5 406 63.546 0.00118651 -3.51726 63.546000 Cu 0.425779 0.140083 0.5 441 63.546 0.000669623 -3.51763 63.546000 Cu 0.438072 0.112671 0.5 410 63.546 0.00142666 -3.51729 63.546000 Cu 0.486878 0.127717 1.6611e-16 443 63.546 0.000315575 -3.51793 63.546000 Cu 0.547989 0.115283 0.5 445 63.546 0.00230861 -3.51835 63.546000 Cu 0.53561 0.142853 0.5 446 63.546 0.000874062 -3.51834 63.546000 Cu 0.596595 0.130533 1.2279e-16 444 63.546 0.00217623 -3.51863 63.546000 Cu 0.657458 0.118321 0.5 450 63.546 0.00228729 -3.51828 63.546000 Cu 0.706107 0.133792 1 483 63.546 0.000306188 -3.51774 63.546000 Cu 0.81585 0.137101 1 484 63.546 0.00118651 -3.51726 63.546000 Cu 0.766997 0.12178 0.5 485 63.546 0.00120793 -3.51709 63.546000 Cu 0.828003 0.109748 1 487 63.546 0.00293166 -3.51673 63.546000 Cu 0.938072 0.112671 1.038e-17 344 63.546 0.00142666 -3.51729 63.546000 Cu 0.876892 0.124953 0.5 346 63.546 0.00190949 -3.5172 63.546000 Cu 0.925779 0.140083 2.187e-17 365 63.546 0.000669623 -3.51763 63.546000 Cu 0.986878 0.127717 0.5 367 63.546 0.000315575 -3.51793 63.546000 Cu 0.0234563 0.170389 1 395 63.546 0.000295223 -3.51825 63.546000 Cu 0.133117 0.173408 0 396 63.546 0.000400116 -3.51817 63.546000 Cu 0.0843545 0.158096 0.5 397 63.546 0.00089678 -3.5184 63.546000 Cu 0.145245 0.145887 1 399 63.546 0.000858057 -3.5183 63.546000 Cu 0.254908 0.149182 1 400 63.546 0.000372479 -3.51751 63.546000 Cu 0.193993 0.161262 0.5 402 63.546 0.000162082 -3.51791 63.546000 Cu 0.242857 0.176597 1 435 63.546 7.98902e-05 -3.51774 63.546000 Cu 0.303794 0.164479 0.5 437 63.546 0.000347199 -3.51758 63.546000 Cu 0.364773 0.152328 1.2276e-16 439 63.546 0.000787393 -3.51752 63.546000 Cu 0.41365 0.167516 0.5 442 63.546 0.000387957 -3.51777 63.546000 Cu 0.474639 0.155211 5.511e-17 440 63.546 0.000116532 -3.518 63.546000 Cu 0.523456 0.170389 0.5 477 63.546 0.000295223 -3.51825 63.546000 Cu 0.584354 0.158096 1 479 63.546 0.00089678 -3.5184 63.546000 Cu 0.693993 0.161262 1 480 63.546 0.000162082 -3.51791 63.546000 Cu 0.645245 0.145887 0.5 481 63.546 0.000858057 -3.5183 63.546000 Cu 0.633117 0.173408 0.5 482 63.546 0.000400116 -3.51817 63.546000 Cu 0.754908 0.149182 0.5 486 63.546 0.000372479 -3.51751 63.546000 Cu 0.742857 0.176597 0.5 517 63.546 7.98902e-05 -3.51774 63.546000 Cu 0.803794 0.164479 1 519 63.546 0.000347199 -3.51758 63.546000 Cu 0.864773 0.152328 0.5 520 63.546 0.000787393 -3.51752 63.546000 Cu 0.91365 0.167516 1 364 63.546 0.000387957 -3.51777 63.546000 Cu 0.974639 0.155211 0.5 368 63.546 0.000116532 -3.518 63.546000 Cu 0.0722836 0.185635 0.5 398 63.546 0.0002568 -3.51828 63.546000 Cu 0.060314 0.21314 0.5 429 63.546 0.00012116 -3.51814 63.546000 Cu 0.121178 0.200909 1.1238e-16 431 63.546 0.000191721 -3.51809 63.546000 Cu 0.0114436 0.197903 0 392 63.546 5.564e-05 -3.51821 63.546000 Cu 0.230941 0.204039 1 432 63.546 2.17841e-05 -3.51783 63.546000 Cu 0.181999 0.188729 0.5 433 63.546 0.000102452 -3.5179 63.546000 Cu 0.291792 0.191899 0.5 438 63.546 0.000150758 -3.51786 63.546000 Cu 0.352694 0.17973 1 436 63.546 0.000326236 -3.51778 63.546000 Cu 0.34072 0.20717 3.273e-17 471 63.546 0.00021422 -3.51794 63.546000 Cu 0.401643 0.194956 0.5 473 63.546 0.000154696 -3.51794 63.546000 Cu 0.45055 0.210171 0 472 63.546 7.90157e-05 -3.51811 63.546000 Cu 0.462542 0.182692 0 475 63.546 6.33416e-05 -3.51804 63.546000 Cu 0.511444 0.197903 0.5 478 63.546 5.564e-05 -3.51821 63.546000 Cu 0.560314 0.21314 1 511 63.546 0.00012116 -3.51814 63.546000 Cu 0.572284 0.185635 1.2693e-16 476 63.546 0.0002568 -3.51828 63.546000 Cu 0.621178 0.200909 0.5 513 63.546 0.000191721 -3.51809 63.546000 Cu 0.681999 0.188729 1.3503e-16 515 63.546 0.000102452 -3.5179 63.546000 Cu 0.791792 0.191899 1 516 63.546 0.000150758 -3.51786 63.546000 Cu 0.730941 0.204039 0.5 518 63.546 2.17841e-05 -3.51783 63.546000 Cu 0.852694 0.17973 0.5 521 63.546 0.000326236 -3.51778 63.546000 Cu 0.84072 0.20717 0.5 552 63.546 0.00021422 -3.51794 63.546000 Cu 0.901643 0.194956 1 391 63.546 0.000154696 -3.51794 63.546000 Cu 0.962542 0.182692 0.5 393 63.546 6.33416e-05 -3.51804 63.546000 Cu 0.95055 0.210171 0.5 394 63.546 7.90157e-05 -3.51811 63.546000 Cu 0.109157 0.22838 0 428 63.546 0.000331202 -3.51796 63.546000 Cu 0.0480747 0.240613 0.5 430 63.546 0.000198031 -3.51809 63.546000 Cu 0.170081 0.21619 0.5 434 63.546 0.000197601 -3.5179 63.546000 Cu 0.157837 0.243638 0.5 465 63.546 0.000297522 -3.51784 63.546000 Cu 0.218872 0.231483 6.576e-17 467 63.546 0.000140508 -3.51777 63.546000 Cu 0.279805 0.219343 0.5 469 63.546 0.000145063 -3.51781 63.546000 Cu 0.267528 0.246779 0.5 470 63.546 9.11701e-05 -3.51774 63.546000 Cu 0.32856 0.234627 1 468 63.546 0.00025164 -3.51785 63.546000 Cu 0.389568 0.222414 0.5 474 63.546 0.000157971 -3.51808 63.546000 Cu 0.377198 0.249893 0.5 505 63.546 0.000234271 -3.51801 63.546000 Cu 0.438291 0.237657 1 507 63.546 0.000143311 -3.51819 63.546000 Cu 0.548075 0.240613 0 508 63.546 0.000198031 -3.51809 63.546000 Cu 0.499363 0.225392 0.5 509 63.546 0.000116838 -3.5182 63.546000 Cu 0.670081 0.21619 0 512 63.546 0.000197601 -3.5179 63.546000 Cu 0.609157 0.22838 0.5 514 63.546 0.000331202 -3.51796 63.546000 Cu 0.657837 0.243638 1 547 63.546 0.000297522 -3.51784 63.546000 Cu 0.718872 0.231483 0.5 549 63.546 0.000140508 -3.51777 63.546000 Cu 0.767528 0.246779 8.26799e-17 548 63.546 9.11701e-05 -3.51774 63.546000 Cu 0.779805 0.219343 8.127e-17 551 63.546 0.000145063 -3.51781 63.546000 Cu 0.82856 0.234627 0.5 553 63.546 0.00025164 -3.51785 63.546000 Cu 0.889568 0.222414 3.879e-17 390 63.546 0.000157971 -3.51808 63.546000 Cu 0.938291 0.237657 0.5 425 63.546 0.000143311 -3.51819 63.546000 Cu 0.999363 0.225392 4.824e-17 427 63.546 0.000116838 -3.5182 63.546000 Cu 0.877198 0.249893 1.8846e-16 423 63.546 0.000234271 -3.51801 63.546000 Cu 0.0838988 0.283277 3e-20 460 63.546 0.000481811 -3.51778 63.546000 Cu 0.0354034 0.268094 0.5 461 63.546 7.40455e-05 -3.51792 63.546000 Cu 0.0966577 0.255837 1 463 63.546 0.00026236 -3.51786 63.546000 Cu 0.145176 0.271071 0.5 466 63.546 0.0003413 -3.51772 63.546000 Cu 0.206394 0.258923 0 464 63.546 8.5793e-05 -3.51776 63.546000 Cu 0.25492 0.274221 0.5 501 63.546 4.57886e-05 -3.51767 63.546000 Cu 0.316073 0.262079 2.877e-17 503 63.546 0.000109183 -3.51785 63.546000 Cu 0.425705 0.265158 0 504 63.546 0.000237221 -3.51818 63.546000 Cu 0.364555 0.277391 0.5 506 63.546 0.000337284 -3.51812 63.546000 Cu 0.486879 0.252885 0.5 510 63.546 6.45995e-05 -3.51815 63.546000 Cu 0.474159 0.2804 0.5 541 63.546 0.000252403 -3.51808 63.546000 Cu 0.535403 0.268094 0 543 63.546 7.40455e-05 -3.51792 63.546000 Cu 0.583899 0.283277 0.5 546 63.546 0.000481811 -3.51778 63.546000 Cu 0.645176 0.271071 1.9164e-16 544 63.546 0.0003413 -3.51772 63.546000 Cu 0.596658 0.255837 0.5 545 63.546 0.00026236 -3.51786 63.546000 Cu 0.706394 0.258923 0.5 550 63.546 8.5793e-05 -3.51776 63.546000 Cu 0.75492 0.274221 9.65999e-18 583 63.546 4.57886e-05 -3.51767 63.546000 Cu 0.816073 0.262079 0.5 585 63.546 0.000109183 -3.51785 63.546000 Cu 0.864555 0.277391 1 584 63.546 0.000337284 -3.51812 63.546000 Cu 0.986879 0.252885 1.0485e-16 424 63.546 6.45995e-05 -3.51815 63.546000 Cu 0.925705 0.265158 0.5 426 63.546 0.000237221 -3.51818 63.546000 Cu 0.974159 0.2804 1 459 63.546 0.000252403 -3.51808 63.546000 Cu 0.0226565 0.295577 0.5 462 63.546 0.000195236 -3.51791 63.546000 Cu 0.0713115 0.310725 2.904e-17 495 63.546 0.00074595 -3.51766 63.546000 Cu 0.132477 0.298486 0.5 497 63.546 0.000753496 -3.51754 63.546000 Cu 0.181193 0.313716 2.9919e-16 496 63.546 0.00126964 -3.51719 63.546000 Cu 0.193706 0.286338 1 499 63.546 0.000273261 -3.51758 63.546000 Cu 0.242319 0.301639 0.5 502 63.546 0.000394079 -3.51749 63.546000 Cu 0.291022 0.317022 1.824e-16 535 63.546 0.000459117 -3.51775 63.546000 Cu 0.303442 0.28955 3.864e-17 500 63.546 0.000204903 -3.51788 63.546000 Cu 0.400511 0.320285 1 536 63.546 0.00239992 -3.51856 63.546000 Cu 0.351951 0.30493 0.5 537 63.546 0.00109528 -3.51828 63.546000 Cu 0.413 0.292698 7.935e-17 539 63.546 0.000836527 -3.51834 63.546000 Cu 0.522657 0.295577 8.39999e-19 540 63.546 0.000195236 -3.51791 63.546000 Cu 0.461532 0.307942 0.5 542 63.546 0.000723583 -3.51824 63.546000 Cu 0.571311 0.310725 0.5 577 63.546 0.00074595 -3.51766 63.546000 Cu 0.632477 0.298486 1 579 63.546 0.000753496 -3.51754 63.546000 Cu 0.693706 0.286338 0.5 581 63.546 0.000273261 -3.51758 63.546000 Cu 0.681193 0.313716 0.5 582 63.546 0.00126964 -3.51719 63.546000 Cu 0.742319 0.301639 2.7135e-16 580 63.546 0.000394079 -3.51749 63.546000 Cu 0.803442 0.28955 0.5 586 63.546 0.000204903 -3.51788 63.546000 Cu 0.791022 0.317022 0.5 615 63.546 0.000459117 -3.51775 63.546000 Cu 0.851951 0.30493 1.0743e-16 617 63.546 0.00109528 -3.51828 63.546000 Cu 0.961532 0.307942 1 456 63.546 0.000723583 -3.51824 63.546000 Cu 0.913 0.292698 0.5 457 63.546 0.000836527 -3.51834 63.546000 Cu 0.900511 0.320285 0.5 458 63.546 0.00239992 -3.51856 63.546000 Cu 0.0590352 0.338155 3.933e-17 492 63.546 0.00144992 -3.51741 63.546000 Cu 0.120128 0.325865 0.5 498 63.546 0.00187174 -3.5172 63.546000 Cu 0.108181 0.353197 0.5 529 63.546 0.0044418 -3.5166 63.546000 Cu 0.0101669 0.323091 0.5 493 63.546 0.000432738 -3.51794 63.546000 Cu 0.169191 0.341055 1 531 63.546 0.00345533 -3.51664 63.546000 Cu 0.279023 0.34451 6.441e-17 532 63.546 0.00110631 -3.51704 63.546000 Cu 0.230093 0.329033 0.5 533 63.546 0.00144014 -3.51699 63.546000 Cu 0.218358 0.356397 0.5 534 63.546 0.00488687 -3.51587 63.546000 Cu 0.339686 0.332505 0.5 538 63.546 0.00264998 -3.51826 63.546000 Cu 0.388357 0.347953 0 571 63.546 0.00671092 -3.5187 63.546000 Cu 0.498006 0.350624 1.4586e-16 572 63.546 0.00107158 -3.51785 63.546000 Cu 0.449167 0.335537 0.5 573 63.546 0.00222943 -3.51841 63.546000 Cu 0.510167 0.323091 3e-20 575 63.546 0.000432738 -3.51794 63.546000 Cu 0.559035 0.338155 0.5 578 63.546 0.00144992 -3.51741 63.546000 Cu 0.620128 0.325865 4.734e-17 576 63.546 0.00187174 -3.5172 63.546000 Cu 0.608181 0.353197 1 609 63.546 0.0044418 -3.5166 63.546000 Cu 0.669191 0.341055 0.5 611 63.546 0.00345533 -3.51664 63.546000 Cu 0.718358 0.356397 6e-20 610 63.546 0.00488687 -3.51587 63.546000 Cu 0.730093 0.329033 1.0584e-16 613 63.546 0.00144014 -3.51699 63.546000 Cu 0.839686 0.332505 1.5933e-16 614 63.546 0.00264998 -3.51826 63.546000 Cu 0.779023 0.34451 0.5 616 63.546 0.00110631 -3.51704 63.546000 Cu 0.888357 0.347953 0.5 489 63.546 0.00671092 -3.5187 63.546000 Cu 0.949167 0.335537 2.3295e-16 491 63.546 0.00222943 -3.51841 63.546000 Cu 0.998006 0.350624 0.5 494 63.546 0.00107158 -3.51785 63.546000 Cu 0.0470959 0.365552 1.311e-17 527 63.546 0.00354251 -3.51675 63.546000 Cu 0.096442 0.380438 0.5 530 63.546 0.012953 -3.51511 63.546000 Cu 0.157509 0.368337 0 528 63.546 0.00909962 -3.51522 63.546000 Cu 0.206932 0.383715 0.5 565 63.546 0.0169694 -3.51279 63.546000 Cu 0.267458 0.372044 1.5255e-16 567 63.546 0.00350536 -3.51541 63.546000 Cu 0.376493 0.375756 1.5657e-16 568 63.546 0.0171484 -3.51827 63.546000 Cu 0.327808 0.360172 0.5 569 63.546 0.00709827 -3.51784 63.546000 Cu 0.316103 0.388029 0.5 570 63.546 0.0235862 -3.51633 63.546000 Cu 0.425183 0.391016 0.5 603 63.546 0.0131815 -3.51651 63.546000 Cu 0.437131 0.363218 0.5 574 63.546 0.00608071 -3.51818 63.546000 Cu 0.486042 0.378213 1 605 63.546 0.00250018 -3.51719 63.546000 Cu 0.547096 0.365552 0.5 607 63.546 0.00354251 -3.51675 63.546000 Cu 0.596442 0.380438 1 606 63.546 0.012953 -3.51511 63.546000 Cu 0.657509 0.368337 0.5 612 63.546 0.00909962 -3.51522 63.546000 Cu 0.706932 0.383715 1 635 63.546 0.0169694 -3.51279 63.546000 Cu 0.816103 0.388029 8.56199e-17 636 63.546 0.0235862 -3.51633 63.546000 Cu 0.767458 0.372044 0.5 637 63.546 0.00350536 -3.51541 63.546000 Cu 0.827808 0.360172 3e-20 639 63.546 0.00709827 -3.51784 63.546000 Cu 0.937131 0.363218 1.8657e-16 488 63.546 0.00608071 -3.51818 63.546000 Cu 0.876493 0.375756 0.5 490 63.546 0.0171484 -3.51827 63.546000 Cu 0.925183 0.391016 1 523 63.546 0.0131815 -3.51651 63.546000 Cu 0.986042 0.378213 0.5 525 63.546 0.00250018 -3.51719 63.546000 Cu 0.0352155 0.392949 5.919e-17 524 63.546 0.00661271 -3.51573 63.546000 Cu 0.0232595 0.420384 1 559 63.546 0.00802153 -3.51434 63.546000 Cu 0.134139 0.422337 1 560 63.546 0.13048 -3.50124 63.546000 Cu 0.0846275 0.407574 0.5 561 63.546 0.0323608 -3.51253 63.546000 Cu 0.14601 0.395479 1.719e-16 563 63.546 0.030383 -3.5114 63.546000 Cu 0.256145 0.399701 9.56999e-17 564 63.546 0.0146884 -3.50772 63.546000 Cu 0.195781 0.410914 0.5 566 63.546 0.0815693 -3.50127 63.546000 Cu 0.244611 0.427839 1 597 63.546 0.0748888 -3.48141 63.546000 Cu 0.304111 0.416249 0.5 599 63.546 0.0822307 -3.5122 63.546000 Cu 0.36454 0.403783 3e-20 601 63.546 0.0425152 -3.51515 63.546000 Cu 0.413042 0.418994 0.5 604 63.546 0.0233426 -3.51232 63.546000 Cu 0.474043 0.405875 1 602 63.546 0.00497777 -3.51516 63.546000 Cu 0.535216 0.392949 0.5 608 63.546 0.00661271 -3.51573 63.546000 Cu 0.52326 0.420384 0.5 629 63.546 0.00802153 -3.51434 63.546000 Cu 0.584627 0.407574 3e-20 631 63.546 0.0323608 -3.51253 63.546000 Cu 0.695781 0.410914 4.65e-17 632 63.546 0.0815693 -3.50127 63.546000 Cu 0.64601 0.395479 0.5 633 63.546 0.030383 -3.5114 63.546000 Cu 0.634139 0.422337 0.5 634 63.546 0.13048 -3.50124 63.546000 Cu 0.756145 0.399701 0.5 638 63.546 0.0146884 -3.50772 63.546000 Cu 0.744611 0.427839 0.5 650 63.546 0.0748888 -3.48141 63.546000 Cu 0.804111 0.416249 3e-20 652 63.546 0.0822307 -3.5122 63.546000 Cu 0.86454 0.403783 0.5 330 63.546 0.0425152 -3.51515 63.546000 Cu 0.913042 0.418994 1 522 63.546 0.0233426 -3.51232 63.546000 Cu 0.974043 0.405875 0.5 526 63.546 0.00497777 -3.51516 63.546000 Cu 0.0729251 0.434694 0.5 562 63.546 0.0483864 -3.51252 63.546000 Cu 0.0633997 0.461879 0.5 591 63.546 0.0894715 -3.51842 63.546000 Cu 0.122907 0.448938 1.2276e-16 593 63.546 0.432032 -3.49055 63.546000 Cu 0.0121512 0.447919 1.3788e-16 556 63.546 0.0245493 -3.51403 63.546000 Cu 0.234382 0.456434 1.2279e-16 594 63.546 5.2988 -3.34157 63.546000 Cu 0.184485 0.437672 0.5 595 63.546 0.43356 -3.4496 63.546000 Cu 0.174105 0.463154 0.5 596 63.546 5.46191 -3.20244 63.546000 Cu 0.292174 0.445127 0.5 600 63.546 0.359672 -3.49676 63.546000 Cu 0.35258 0.432185 1 598 63.546 0.0914599 -3.50789 63.546000 Cu 0.342097 0.461066 1 623 63.546 0.274564 -3.48034 63.546000 Cu 0.401697 0.447196 0.5 625 63.546 0.0401672 -3.5046 63.546000 Cu 0.452615 0.461547 1.1568e-16 624 63.546 0.0721578 -3.51416 63.546000 Cu 0.462117 0.433655 2.0559e-16 627 63.546 0.0112172 -3.51192 63.546000 Cu 0.512151 0.447919 0.5 630 63.546 0.0245493 -3.51403 63.546000 Cu 0.5634 0.461879 7.725e-17 644 63.546 0.0894715 -3.51842 63.546000 Cu 0.572925 0.434694 0 628 63.546 0.0483864 -3.51252 63.546000 Cu 0.622907 0.448938 0.5 646 63.546 0.432032 -3.49055 63.546000 Cu 0.684485 0.437672 0 648 63.546 0.43356 -3.4496 63.546000 Cu 0.674105 0.463154 1 645 63.546 5.46191 -3.20244 63.546000 Cu 0.842097 0.461066 0.5 4 63.546 0.274564 -3.48034 63.546000 Cu 0.85258 0.432185 0.5 326 63.546 0.0914599 -3.50789 63.546000 Cu 0.792174 0.445127 1.2783e-16 649 63.546 0.359672 -3.49676 63.546000 Cu 0.734382 0.456434 0.5 651 63.546 5.2988 -3.34157 63.546000 Cu 0.901697 0.447196 1.1862e-16 555 63.546 0.0401672 -3.5046 63.546000 Cu 0.962117 0.433655 0.5 557 63.546 0.0112172 -3.51192 63.546000 Cu 0.952615 0.461547 0.5 558 63.546 0.0721578 -3.51416 63.546000 Cu 0.117448 0.475445 2.1033e-16 590 63.546 3.26624 -3.42057 63.546000 Cu 0.0640869 0.489041 0.5 592 63.546 0.0813697 -3.51757 63.546000 Cu 0.00653483 0.475478 4.689e-17 589 63.546 0.113381 -3.51915 63.546000 Cu 0.174678 0.487678 0.5 618 63.546 5.42989 -3.20783 63.546000 Cu 0.235211 0.494517 3e-20 619 63.546 5.30227 -3.34617 63.546000 Cu 0.28067 0.475477 0.5 621 63.546 3.91629 -3.46326 63.546000 Cu 0.342778 0.489917 3e-20 620 63.546 0.264453 -3.47928 63.546000 Cu 0.394795 0.475497 0.5 626 63.546 0.199723 -3.50497 63.546000 Cu 0.453186 0.489419 0 641 63.546 0.0690272 -3.51332 63.546000 Cu 0.564087 0.489041 3e-20 642 63.546 0.0813697 -3.51757 63.546000 Cu 0.506535 0.475478 0.5 643 63.546 0.113381 -3.51915 63.546000 Cu 0.674678 0.487678 1 323 63.546 5.42989 -3.20783 63.546000 Cu 0.617448 0.475445 0.5 647 63.546 3.26624 -3.42057 63.546000 Cu 0.735211 0.494517 0.5 34 63.546 5.30227 -3.34617 63.546000 Cu 0.842778 0.489917 0.5 3 63.546 0.264453 -3.47928 63.546000 Cu 0.78067 0.475477 3.234e-17 33 63.546 3.91629 -3.46326 63.546000 Cu 0.894795 0.475497 1 554 63.546 0.199723 -3.50497 63.546000 Cu 0.953186 0.489419 0.5 588 63.546 0.0690272 -3.51332 63.546000 Cu 0.0132434 0.503037 1.6176e-16 1 63.546 0.0229228 -3.51311 63.546000 Cu 0.0744119 0.516206 0.5 2 63.546 0.0450177 -3.5118 63.546000 Cu 0.0250961 0.530541 1.8942e-16 8 63.546 0.00721962 -3.5138 63.546000 Cu 0.123989 0.501927 0 58 63.546 0.406788 -3.49057 63.546000 Cu 0.135972 0.528556 0 59 63.546 0.125341 -3.5017 63.546000 Cu 0.185958 0.513207 0.5 60 63.546 0.414472 -3.45487 63.546000 Cu 0.246283 0.5231 0 61 63.546 0.0716165 -3.48347 63.546000 Cu 0.293344 0.505829 0.5 622 63.546 0.35739 -3.4968 63.546000 Cu 0.354053 0.518779 1.998e-16 32 63.546 0.0901372 -3.50747 63.546000 Cu 0.402719 0.503798 0.5 640 63.546 0.0370953 -3.5038 63.546000 Cu 0.41483 0.531964 0.5 38 63.546 0.0217153 -3.51208 63.546000 Cu 0.305923 0.534682 0.5 63 63.546 0.0821675 -3.5128 63.546000 Cu 0.513243 0.503037 0.5 15 63.546 0.0229228 -3.51311 63.546000 Cu 0.463617 0.517309 2.379e-17 35 63.546 0.00942628 -3.51108 63.546000 Cu 0.525096 0.530541 0.5 37 63.546 0.00721962 -3.5138 63.546000 Cu 0.574412 0.516206 1 13 63.546 0.0450177 -3.5118 63.546000 Cu 0.623989 0.501927 0.5 14 63.546 0.406788 -3.49057 63.546000 Cu 0.685958 0.513207 2.4558e-16 16 63.546 0.414472 -3.45487 63.546000 Cu 0.635972 0.528556 0.5 19 63.546 0.125341 -3.5017 63.546000 Cu 0.793344 0.505829 1 308 63.546 0.35739 -3.4968 63.546000 Cu 0.746283 0.5231 0.5 18 63.546 0.0716165 -3.48347 63.546000 Cu 0.854053 0.518779 0.5 7 63.546 0.0901372 -3.50747 63.546000 Cu 0.805923 0.534682 6.363e-17 20 63.546 0.0821675 -3.5128 63.546000 Cu 0.91483 0.531964 0 5 63.546 0.0217153 -3.51208 63.546000 Cu 0.963617 0.517309 0.5 6 63.546 0.00942628 -3.51108 63.546000 Cu 0.902719 0.503798 1 587 63.546 0.0370953 -3.5038 63.546000 Cu 0.037586 0.55797 2.4909e-16 9 63.546 0.00727053 -3.51535 63.546000 Cu 0.0867129 0.543334 0.5 10 63.546 0.0328257 -3.51231 63.546000 Cu 0.0990095 0.570451 0.5 12 63.546 0.0126607 -3.51498 63.546000 Cu 0.258316 0.551197 3.432e-17 62 63.546 0.0141097 -3.50933 63.546000 Cu 0.197729 0.539966 0.5 64 63.546 0.0756677 -3.50277 63.546000 Cu 0.148317 0.555391 1 92 63.546 0.0275375 -3.51159 63.546000 Cu 0.209458 0.567155 0.5 94 63.546 0.0158256 -3.51342 63.546000 Cu 0.36664 0.547155 2.235e-17 65 63.546 0.0405191 -3.51529 63.546000 Cu 0.318537 0.56287 0.5 68 63.546 0.023593 -3.51677 63.546000 Cu 0.427557 0.559903 0.5 67 63.546 0.0129858 -3.51628 63.546000 Cu 0.476132 0.545061 1 36 63.546 0.0044378 -3.51466 63.546000 Cu 0.537586 0.55797 0.5 42 63.546 0.00727053 -3.51535 63.546000 Cu 0.697729 0.539966 0 17 63.546 0.0756677 -3.50277 63.546000 Cu 0.586713 0.543334 1.2279e-16 39 63.546 0.0328257 -3.51231 63.546000 Cu 0.599009 0.570451 1.2279e-16 40 63.546 0.0126607 -3.51498 63.546000 Cu 0.648317 0.555391 0.5 41 63.546 0.0275375 -3.51159 63.546000 Cu 0.709458 0.567155 1.2279e-16 43 63.546 0.0158256 -3.51342 63.546000 Cu 0.818537 0.56287 2.5899e-16 21 63.546 0.023593 -3.51677 63.546000 Cu 0.758316 0.551197 0.5 23 63.546 0.0141097 -3.50933 63.546000 Cu 0.976132 0.545061 0.5 11 63.546 0.0044378 -3.51466 63.546000 Cu 0.86664 0.547155 0.5 22 63.546 0.0405191 -3.51529 63.546000 Cu 0.927557 0.559903 0 24 63.546 0.0129858 -3.51628 63.546000 Cu 0.0499034 0.585344 5.991e-17 28 63.546 0.00378332 -3.51648 63.546000 Cu 0.11119 0.597665 0.5 30 63.546 0.00417038 -3.5164 63.546000 Cu 0.00105039 0.600268 0.5 31 63.546 0.000837387 -3.51763 63.546000 Cu 0.160275 0.582529 4.617e-17 93 63.546 0.00850903 -3.51534 63.546000 Cu 0.270158 0.578823 3e-20 95 63.546 0.00340983 -3.51599 63.546000 Cu 0.221278 0.594456 0.5 98 63.546 0.00450951 -3.51606 63.546000 Cu 0.282053 0.606353 5.889e-17 96 63.546 0.000924571 -3.51729 63.546000 Cu 0.379104 0.575153 3.072e-17 66 63.546 0.0162857 -3.5183 63.546000 Cu 0.330699 0.590707 0.5 97 63.546 0.00703887 -3.51809 63.546000 Cu 0.391374 0.60293 1 99 63.546 0.00645368 -3.51871 63.546000 Cu 0.488678 0.572708 1 69 63.546 0.00223594 -3.51696 63.546000 Cu 0.50105 0.600268 7.989e-17 70 63.546 0.000837387 -3.51763 63.546000 Cu 0.549903 0.585344 0.5 71 63.546 0.00378332 -3.51648 63.546000 Cu 0.439968 0.587688 0.5 72 63.546 0.00563224 -3.518 63.546000 Cu 0.660275 0.582529 0.5 46 63.546 0.00850903 -3.51534 63.546000 Cu 0.61119 0.597665 1.6674e-16 73 63.546 0.00417038 -3.5164 63.546000 Cu 0.721278 0.594456 0 44 63.546 0.00450951 -3.51606 63.546000 Cu 0.770158 0.578823 0.5 45 63.546 0.00340983 -3.51599 63.546000 Cu 0.830699 0.590707 0 47 63.546 0.00703887 -3.51809 63.546000 Cu 0.782053 0.606353 0.5 50 63.546 0.000924571 -3.51729 63.546000 Cu 0.988678 0.572708 0.5 26 63.546 0.00223594 -3.51696 63.546000 Cu 0.939968 0.587688 8.39099e-17 25 63.546 0.00563224 -3.518 63.546000 Cu 0.879104 0.575153 0.5 27 63.546 0.0162857 -3.5183 63.546000 Cu 0.891374 0.60293 0.5 49 63.546 0.00645368 -3.51871 63.546000 Cu 0.0621957 0.612713 2.889e-16 29 63.546 0.00148835 -3.51732 63.546000 Cu 0.0132113 0.627763 0.5 53 63.546 0.000331799 -3.51801 63.546000 Cu 0.0741751 0.640117 5.106e-17 55 63.546 0.00055221 -3.51758 63.546000 Cu 0.123249 0.624981 0.5 127 63.546 0.00155081 -3.51737 63.546000 Cu 0.172301 0.609779 1 124 63.546 0.00265676 -3.51666 63.546000 Cu 0.18413 0.637142 1 125 63.546 0.0011773 -3.5173 63.546000 Cu 0.233206 0.621829 0.5 126 63.546 0.00145679 -3.51699 63.546000 Cu 0.403476 0.630578 9.43499e-17 100 63.546 0.00228279 -3.51864 63.546000 Cu 0.342758 0.618375 0.5 102 63.546 0.00213135 -3.5183 63.546000 Cu 0.29395 0.633842 1.5276e-16 128 63.546 0.000355951 -3.51765 63.546000 Cu 0.452247 0.615326 0.5 101 63.546 0.00247192 -3.51847 63.546000 Cu 0.513211 0.627763 1.1025e-16 103 63.546 0.000331799 -3.51801 63.546000 Cu 0.562196 0.612713 0.5 76 63.546 0.00148835 -3.51732 63.546000 Cu 0.623249 0.624981 0 74 63.546 0.00155081 -3.51737 63.546000 Cu 0.672301 0.609779 0.5 75 63.546 0.00265676 -3.51666 63.546000 Cu 0.68413 0.637142 0.5 80 63.546 0.0011773 -3.5173 63.546000 Cu 0.574175 0.640117 0.5 105 63.546 0.00055221 -3.51758 63.546000 Cu 0.842758 0.618375 3.9e-19 48 63.546 0.00213135 -3.5183 63.546000 Cu 0.733206 0.621829 1.3737e-16 77 63.546 0.00145679 -3.51699 63.546000 Cu 0.79395 0.633842 0.5 79 63.546 0.000355951 -3.51765 63.546000 Cu 0.952247 0.615326 1.3065e-16 51 63.546 0.00247192 -3.51847 63.546000 Cu 0.903476 0.630578 0.5 54 63.546 0.00228279 -3.51864 63.546000 Cu 0.0860228 0.667536 1.2276e-16 56 63.546 0.000298161 -3.51776 63.546000 Cu 0.0252117 0.655241 0.5 57 63.546 0.000173343 -3.51792 63.546000 Cu 0.135071 0.652363 0.5 157 63.546 0.000805523 -3.51746 63.546000 Cu 0.244967 0.64922 0.5 131 63.546 0.000310457 -3.51747 63.546000 Cu 0.195925 0.664514 0 158 63.546 0.000402787 -3.51752 63.546000 Cu 0.256683 0.676634 0.5 160 63.546 9.602e-05 -3.51772 63.546000 Cu 0.305788 0.661305 7.218e-17 129 63.546 0.000210452 -3.51789 63.546000 Cu 0.3547 0.645939 0.5 130 63.546 0.000757381 -3.5183 63.546000 Cu 0.366475 0.673451 0.5 135 63.546 0.000374093 -3.51817 63.546000 Cu 0.41548 0.65814 7.149e-17 132 63.546 0.000909949 -3.51841 63.546000 Cu 0.525212 0.655241 4.659e-17 104 63.546 0.000173343 -3.51792 63.546000 Cu 0.464322 0.642901 0.5 106 63.546 0.000820318 -3.51836 63.546000 Cu 0.476176 0.670423 0.5 134 63.546 0.000311886 -3.51831 63.546000 Cu 0.635071 0.652363 9.47999e-17 107 63.546 0.000805523 -3.51746 63.546000 Cu 0.695925 0.664514 0.5 109 63.546 0.000402787 -3.51752 63.546000 Cu 0.586023 0.667536 0.5 110 63.546 0.000298161 -3.51776 63.546000 Cu 0.744967 0.64922 1 78 63.546 0.000310457 -3.51747 63.546000 Cu 0.805788 0.661305 0.5 84 63.546 0.000210452 -3.51789 63.546000 Cu 0.756683 0.676634 1 111 63.546 9.602e-05 -3.51772 63.546000 Cu 0.8547 0.645939 2.562e-17 81 63.546 0.000757381 -3.5183 63.546000 Cu 0.964322 0.642901 3.0363e-16 52 63.546 0.000820318 -3.51836 63.546000 Cu 0.866475 0.673451 1.158e-17 82 63.546 0.000374093 -3.51817 63.546000 Cu 0.91548 0.65814 0.5 83 63.546 0.000909949 -3.51841 63.546000 Cu 0.976176 0.670423 3.024e-17 85 63.546 0.000311886 -3.51831 63.546000 Cu 0.0368908 0.682722 0.5 87 63.546 7.93887e-05 -3.51807 63.546000 Cu 0.0976136 0.694969 8.97299e-17 89 63.546 8.92061e-05 -3.51794 63.546000 Cu 0.0484963 0.710184 0.5 91 63.546 5.05996e-05 -3.51817 63.546000 Cu 0.207557 0.691926 1 159 63.546 0.000172067 -3.51776 63.546000 Cu 0.146805 0.679758 0.5 161 63.546 0.000322611 -3.51778 63.546000 Cu 0.268193 0.704075 0.5 165 63.546 2.36369e-05 -3.51772 63.546000 Cu 0.158355 0.707182 0.5 190 63.546 0.000172871 -3.51787 63.546000 Cu 0.317382 0.688774 1 162 63.546 9.80635e-05 -3.51788 63.546000 Cu 0.377998 0.700957 0.5 164 63.546 0.000132162 -3.51807 63.546000 Cu 0.427138 0.685678 2.0922e-16 133 63.546 0.000222654 -3.51828 63.546000 Cu 0.536891 0.682722 3e-20 136 63.546 7.93887e-05 -3.51807 63.546000 Cu 0.548496 0.710184 1 137 63.546 5.05996e-05 -3.51817 63.546000 Cu 0.487784 0.697935 0.5 139 63.546 6.11847e-05 -3.51821 63.546000 Cu 0.43865 0.713182 1 166 63.546 0.000141374 -3.51821 63.546000 Cu 0.646805 0.679758 1 108 63.546 0.000322611 -3.51778 63.546000 Cu 0.597614 0.694969 0.5 138 63.546 8.92061e-05 -3.51794 63.546000 Cu 0.658355 0.707182 1 140 63.546 0.000172871 -3.51787 63.546000 Cu 0.707557 0.691926 0.5 114 63.546 0.000172067 -3.51776 63.546000 Cu 0.768193 0.704075 1.47e-17 112 63.546 2.36369e-05 -3.51772 63.546000 Cu 0.817382 0.688774 0.5 113 63.546 9.80635e-05 -3.51788 63.546000 Cu 0.987784 0.697935 8.83799e-17 86 63.546 6.11847e-05 -3.51821 63.546000 Cu 0.927138 0.685678 0.5 88 63.546 0.000222654 -3.51828 63.546000 Cu 0.877998 0.700957 3e-20 115 63.546 0.000132162 -3.51807 63.546000 Cu 0.93865 0.713182 0.5 117 63.546 0.000141374 -3.51821 63.546000 Cu 0.109265 0.722419 3e-20 90 63.546 0.000153037 -3.51809 63.546000 Cu 0.0603294 0.737668 0.5 121 63.546 0.000129678 -3.51822 63.546000 Cu 0.121264 0.749909 1 222 63.546 0.000217838 -3.51807 63.546000 Cu 0.219048 0.719352 1 191 63.546 0.00016776 -3.51774 63.546000 Cu 0.230962 0.746799 7.44e-18 192 63.546 8.04753e-05 -3.51775 63.546000 Cu 0.170078 0.734635 0.5 194 63.546 0.000227672 -3.51794 63.546000 Cu 0.279825 0.731509 0.5 193 63.546 0.000167093 -3.51775 63.546000 Cu 0.328836 0.716232 1 163 63.546 0.00020503 -3.51786 63.546000 Cu 0.389606 0.728423 0.5 169 63.546 0.000260474 -3.51795 63.546000 Cu 0.340711 0.743666 2.583e-17 195 63.546 0.000230546 -3.51776 63.546000 Cu 0.450522 0.74064 0 167 63.546 0.0001573 -3.51804 63.546000 Cu 0.499432 0.725422 0.5 168 63.546 0.000159809 -3.5182 63.546000 Cu 0.560329 0.737668 6.9e-18 170 63.546 0.000129678 -3.51822 63.546000 Cu 0.670078 0.734635 1 141 63.546 0.000227672 -3.51794 63.546000 Cu 0.609265 0.722419 0.5 143 63.546 0.000153037 -3.51809 63.546000 Cu 0.621264 0.749909 0.5 172 63.546 0.000217838 -3.51807 63.546000 Cu 0.828836 0.716232 0.5 118 63.546 0.00020503 -3.51786 63.546000 Cu 0.719048 0.719352 0.5 142 63.546 0.00016776 -3.51774 63.546000 Cu 0.779825 0.731509 1 144 63.546 0.000167093 -3.51775 63.546000 Cu 0.840711 0.743666 0.5 146 63.546 0.000230546 -3.51776 63.546000 Cu 0.730962 0.746799 0.5 147 63.546 8.04753e-05 -3.51775 63.546000 Cu 0.999432 0.725422 3e-20 119 63.546 0.000159809 -3.5182 63.546000 Cu 0.889606 0.728423 3e-20 116 63.546 0.000260474 -3.51795 63.546000 Cu 0.950522 0.74064 0.5 122 63.546 0.0001573 -3.51804 63.546000 Cu 0.0115362 0.752897 6e-20 120 63.546 4.66653e-05 -3.51817 63.546000 Cu 0.0725051 0.765163 0.5 123 63.546 0.000204924 -3.51821 63.546000 Cu 0.0238285 0.780399 1 152 63.546 0.000184191 -3.51822 63.546000 Cu 0.133467 0.777396 4.476e-17 223 63.546 0.000369367 -3.51819 63.546000 Cu 0.182181 0.762092 0.5 224 63.546 0.000132942 -3.51789 63.546000 Cu 0.243155 0.774229 0 225 63.546 7.09447e-05 -3.51774 63.546000 Cu 0.352962 0.771086 2.673e-17 196 63.546 0.000316263 -3.51777 63.546000 Cu 0.401711 0.755859 0.5 197 63.546 0.000202234 -3.51792 63.546000 Cu 0.291918 0.758931 0.5 198 63.546 0.000134485 -3.51773 63.546000 Cu 0.414067 0.783296 0.5 202 63.546 0.0003334 -3.51776 63.546000 Cu 0.511536 0.752897 0.5 173 63.546 4.66653e-05 -3.51817 63.546000 Cu 0.462785 0.768108 4.89e-18 199 63.546 7.21686e-05 -3.51805 63.546000 Cu 0.523829 0.780399 0.5 201 63.546 0.000184191 -3.51822 63.546000 Cu 0.572505 0.765163 1.1049e-16 171 63.546 0.000204924 -3.51821 63.546000 Cu 0.682181 0.762092 1 174 63.546 0.000132942 -3.51789 63.546000 Cu 0.633467 0.777396 0.5 177 63.546 0.000369367 -3.51819 63.546000 Cu 0.791918 0.758931 7.59e-18 145 63.546 0.000134485 -3.51773 63.546000 Cu 0.743155 0.774229 0.5 176 63.546 7.09447e-05 -3.51774 63.546000 Cu 0.852962 0.771086 0.5 151 63.546 0.000316263 -3.51777 63.546000 Cu 0.901711 0.755859 6.615e-17 148 63.546 0.000202234 -3.51792 63.546000 Cu 0.914067 0.783296 1 149 63.546 0.0003334 -3.51776 63.546000 Cu 0.962785 0.768108 0.5 150 63.546 7.21686e-05 -3.51805 63.546000 Cu 0.0363407 0.807946 4.65e-17 153 63.546 0.000769109 -3.51825 63.546000 Cu 0.084864 0.792698 0.5 154 63.546 0.000707561 -3.51841 63.546000 Cu 0.0973708 0.820282 0.5 156 63.546 0.00240188 -3.51858 63.546000 Cu 0.255525 0.801642 1 226 63.546 0.000298911 -3.51753 63.546000 Cu 0.194458 0.789558 0.5 228 63.546 0.000221878 -3.51786 63.546000 Cu 0.145875 0.804926 1.2279e-16 256 63.546 0.000932773 -3.51827 63.546000 Cu 0.206853 0.81702 0.5 258 63.546 0.00035057 -3.51774 63.546000 Cu 0.30422 0.786343 0.5 227 63.546 0.00032633 -3.51763 63.546000 Cu 0.365382 0.798491 1 229 63.546 0.000711416 -3.51754 63.546000 Cu 0.316654 0.813726 0.5 232 63.546 0.000951007 -3.51728 63.546000 Cu 0.426555 0.810728 0.5 231 63.546 0.000683829 -3.51756 63.546000 Cu 0.475208 0.795591 1 200 63.546 0.000138229 -3.51792 63.546000 Cu 0.536341 0.807946 0.5 206 63.546 0.000769109 -3.51825 63.546000 Cu 0.694458 0.789558 4.44e-18 175 63.546 0.000221878 -3.51786 63.546000 Cu 0.584864 0.792698 1 203 63.546 0.000707561 -3.51841 63.546000 Cu 0.597371 0.820282 0 204 63.546 0.00240188 -3.51858 63.546000 Cu 0.645875 0.804926 0.5 205 63.546 0.000932773 -3.51827 63.546000 Cu 0.706853 0.81702 1 207 63.546 0.00035057 -3.51774 63.546000 Cu 0.80422 0.786343 1 178 63.546 0.00032633 -3.51763 63.546000 Cu 0.816654 0.813726 4.89e-17 179 63.546 0.000951007 -3.51728 63.546000 Cu 0.755525 0.801642 0.5 181 63.546 0.000298911 -3.51753 63.546000 Cu 0.975208 0.795591 0.5 155 63.546 0.000138229 -3.51792 63.546000 Cu 0.865382 0.798491 0.5 180 63.546 0.000711416 -3.51754 63.546000 Cu 0.926555 0.810728 2.067e-17 182 63.546 0.000683829 -3.51756 63.546000 Cu 0.0488169 0.835528 5.715e-17 186 63.546 0.00235998 -3.5184 63.546000 Cu 0.109782 0.847937 0.5 188 63.546 0.00693972 -3.51874 63.546000 Cu 0.000136017 0.850594 0.5 189 63.546 0.00100622 -3.51767 63.546000 Cu 0.158269 0.832488 1.2273e-16 257 63.546 0.00229474 -3.51831 63.546000 Cu 0.267823 0.829029 1 259 63.546 0.00131799 -3.51707 63.546000 Cu 0.219075 0.844496 0.5 262 63.546 0.00101665 -3.51731 63.546000 Cu 0.27989 0.856386 4.731e-17 260 63.546 0.00456528 -3.51609 63.546000 Cu 0.377753 0.825862 1 230 63.546 0.00172638 -3.51719 63.546000 Cu 0.328854 0.841053 0.5 261 63.546 0.00300585 -3.51663 63.546000 Cu 0.389986 0.853178 1 263 63.546 0.0043922 -3.51646 63.546000 Cu 0.487734 0.823083 1 233 63.546 0.00038066 -3.51786 63.546000 Cu 0.500136 0.850594 0 234 63.546 0.00100622 -3.51767 63.546000 Cu 0.548817 0.835528 0.5 235 63.546 0.00235998 -3.5184 63.546000 Cu 0.438936 0.838138 0.5 236 63.546 0.00142524 -3.51727 63.546000 Cu 0.658269 0.832488 0.5 210 63.546 0.00229474 -3.51831 63.546000 Cu 0.609782 0.847937 1 237 63.546 0.00693972 -3.51874 63.546000 Cu 0.719075 0.844496 1 208 63.546 0.00101665 -3.51731 63.546000 Cu 0.767823 0.829029 0.5 209 63.546 0.00131799 -3.51707 63.546000 Cu 0.828854 0.841053 9.86699e-17 211 63.546 0.00300585 -3.51663 63.546000 Cu 0.77989 0.856386 0.5 214 63.546 0.00456528 -3.51609 63.546000 Cu 0.987734 0.823083 0.5 184 63.546 0.00038066 -3.51786 63.546000 Cu 0.938936 0.838138 1 183 63.546 0.00142524 -3.51727 63.546000 Cu 0.877753 0.825862 0.5 185 63.546 0.00172638 -3.51719 63.546000 Cu 0.889986 0.853178 0.5 213 63.546 0.0043922 -3.51646 63.546000 Cu 0.0611964 0.863193 1.2276e-16 187 63.546 0.00649278 -3.51808 63.546000 Cu 0.0124712 0.878166 0.5 217 63.546 0.00219025 -3.51692 63.546000 Cu 0.0736179 0.890965 2.3952e-16 219 63.546 0.0132148 -3.51623 63.546000 Cu 0.122057 0.875712 0.5 289 63.546 0.0166467 -3.51826 63.546000 Cu 0.170504 0.86014 2.2827e-16 286 63.546 0.00645391 -3.51807 63.546000 Cu 0.182645 0.887985 6.345e-17 287 63.546 0.022899 -3.51664 63.546000 Cu 0.230981 0.872024 0.5 288 63.546 0.00357452 -3.51587 63.546000 Cu 0.402107 0.880403 0 264 63.546 0.0130041 -3.51502 63.546000 Cu 0.340868 0.86832 0.5 266 63.546 0.00861563 -3.5153 63.546000 Cu 0.29166 0.883696 1.5267e-16 290 63.546 0.0163925 -3.51327 63.546000 Cu 0.451243 0.865513 0.5 265 63.546 0.00393467 -3.5166 63.546000 Cu 0.512471 0.878166 1 267 63.546 0.00219025 -3.51692 63.546000 Cu 0.561196 0.863193 0.5 240 63.546 0.00649278 -3.51808 63.546000 Cu 0.622057 0.875712 1 238 63.546 0.0166467 -3.51826 63.546000 Cu 0.670504 0.86014 0.5 239 63.546 0.00645391 -3.51807 63.546000 Cu 0.682645 0.887985 0.5 244 63.546 0.022899 -3.51664 63.546000 Cu 0.573618 0.890965 0.5 269 63.546 0.0132148 -3.51623 63.546000 Cu 0.840868 0.86832 0 212 63.546 0.00861563 -3.5153 63.546000 Cu 0.730981 0.872024 1.209e-17 241 63.546 0.00357452 -3.51587 63.546000 Cu 0.79166 0.883696 0.5 243 63.546 0.0163925 -3.51327 63.546000 Cu 0.951243 0.865513 1 215 63.546 0.00393467 -3.5166 63.546000 Cu 0.902107 0.880403 0.5 218 63.546 0.0130041 -3.51502 63.546000 Cu 0.0862445 0.918928 1.2279e-16 220 63.546 0.0231371 -3.5121 63.546000 Cu 0.025012 0.905814 0.5 221 63.546 0.00479468 -3.51468 63.546000 Cu 0.134478 0.903722 0.5 309 63.546 0.041191 -3.51507 63.546000 Cu 0.242798 0.89967 0.5 293 63.546 0.014438 -3.50884 63.546000 Cu 0.195136 0.91619 1.422e-17 310 63.546 0.081078 -3.51273 63.546000 Cu 0.254768 0.927795 0.5 312 63.546 0.0752093 -3.48246 63.546000 Cu 0.303371 0.910884 1 291 63.546 0.0790095 -3.50226 63.546000 Cu 0.352838 0.895446 0.5 292 63.546 0.0299521 -3.51157 63.546000 Cu 0.365138 0.9223 0.5 297 63.546 0.129449 -3.5015 63.546000 Cu 0.414428 0.907539 1.9848e-16 294 63.546 0.0312999 -3.5123 63.546000 Cu 0.525012 0.905814 0 268 63.546 0.00479468 -3.51468 63.546000 Cu 0.463568 0.892898 0.5 270 63.546 0.00674568 -3.51542 63.546000 Cu 0.475997 0.92033 0.5 296 63.546 0.00820931 -3.51396 63.546000 Cu 0.634478 0.903722 1 271 63.546 0.041191 -3.51507 63.546000 Cu 0.695136 0.91619 0.5 273 63.546 0.081078 -3.51273 63.546000 Cu 0.586245 0.918928 0.5 274 63.546 0.0231371 -3.5121 63.546000 Cu 0.742798 0.89967 6.93e-17 242 63.546 0.014438 -3.50884 63.546000 Cu 0.803371 0.910884 0.5 248 63.546 0.0790095 -3.50226 63.546000 Cu 0.754768 0.927795 0 275 63.546 0.0752093 -3.48246 63.546000 Cu 0.852838 0.895446 1 245 63.546 0.0299521 -3.51157 63.546000 Cu 0.963568 0.892898 3e-20 216 63.546 0.00674568 -3.51542 63.546000 Cu 0.865138 0.9223 1 246 63.546 0.129449 -3.5015 63.546000 Cu 0.914428 0.907539 0.5 247 63.546 0.0312999 -3.5123 63.546000 Cu 0.975997 0.92033 0 249 63.546 0.00820931 -3.51396 63.546000 Cu 0.0373154 0.933591 0.5 251 63.546 0.0107178 -3.51154 63.546000 Cu 0.0979727 0.947115 1.0833e-16 253 63.546 0.0400699 -3.50428 63.546000 Cu 0.0472378 0.961477 0.5 255 63.546 0.0736043 -3.5139 63.546000 Cu 0.207405 0.945059 1.1952e-16 311 63.546 0.356351 -3.49698 63.546000 Cu 0.146873 0.932104 0.5 313 63.546 0.0884596 -3.50771 63.546000 Cu 0.265371 0.956378 0.5 317 63.546 5.29356 -3.3439 63.546000 Cu 0.157699 0.960986 0.5 324 63.546 0.270287 -3.48022 63.546000 Cu 0.314956 0.937643 1 314 63.546 0.425429 -3.45179 63.546000 Cu 0.376718 0.948911 0.5 316 63.546 0.422906 -3.49064 63.546000 Cu 0.426521 0.934656 7.557e-17 295 63.546 0.0473243 -3.51213 63.546000 Cu 0.325758 0.963143 0 315 63.546 5.4498 -3.20418 63.546000 Cu 0.537315 0.933591 0 298 63.546 0.0107178 -3.51154 63.546000 Cu 0.547238 0.961477 9.08099e-17 299 63.546 0.0736043 -3.5139 63.546000 Cu 0.487492 0.947857 0.5 301 63.546 0.0250223 -3.51364 63.546000 Cu 0.436405 0.961829 0 318 63.546 0.0879016 -3.5181 63.546000 Cu 0.646873 0.932104 9.74099e-17 272 63.546 0.0884596 -3.50771 63.546000 Cu 0.597973 0.947115 0.5 300 63.546 0.0400699 -3.50428 63.546000 Cu 0.657699 0.960986 0 302 63.546 0.270287 -3.48022 63.546000 Cu 0.707405 0.945059 0.5 278 63.546 0.356351 -3.49698 63.546000 Cu 0.765371 0.956378 1.3818e-16 276 63.546 5.29356 -3.3439 63.546000 Cu 0.814956 0.937643 0.5 277 63.546 0.425429 -3.45179 63.546000 Cu 0.825758 0.963143 0.5 282 63.546 5.4498 -3.20418 63.546000 Cu 0.987492 0.947857 0 250 63.546 0.0250223 -3.51364 63.546000 Cu 0.926521 0.934656 0.5 252 63.546 0.0473243 -3.51213 63.546000 Cu 0.876718 0.948911 1.2279e-16 279 63.546 0.422906 -3.49064 63.546000 Cu 0.936405 0.961829 0.5 281 63.546 0.0879016 -3.5181 63.546000 Cu 0.105223 0.975423 3e-20 254 63.546 0.199716 -3.5051 63.546000 Cu 0.0470088 0.989346 0.5 284 63.546 0.0699922 -3.51363 63.546000 Cu 0.219305 0.975402 0 325 63.546 3.90303 -3.4639 63.546000 Cu 0.157455 0.989833 0.5 328 63.546 0.267507 -3.47974 63.546000 Cu 0.265065 0.99443 0.5 327 63.546 5.29132 -3.3447 63.546000 Cu 0.382643 0.975407 0.5 321 63.546 3.28955 -3.42055 63.546000 Cu 0.325577 0.987662 1 329 63.546 5.44706 -3.20558 63.546000 Cu 0.43618 0.988993 1 319 63.546 0.0855264 -3.51774 63.546000 Cu 0.493464 0.975409 0.5 320 63.546 0.112092 -3.51911 63.546000 Cu 0.547009 0.989346 0 322 63.546 0.0699922 -3.51363 63.546000 Cu 0.657455 0.989833 1 303 63.546 0.267507 -3.47974 63.546000 Cu 0.605223 0.975423 0.5 305 63.546 0.199716 -3.5051 63.546000 Cu 0.719305 0.975402 0.5 304 63.546 3.90303 -3.4639 63.546000 Cu 0.765065 0.99443 2.319e-17 306 63.546 5.29132 -3.3447 63.546000 Cu 0.825577 0.987662 0.5 307 63.546 5.44706 -3.20558 63.546000 Cu 0.993464 0.975409 3e-20 283 63.546 0.112092 -3.51911 63.546000 Cu 0.882643 0.975407 1.6632e-16 280 63.546 3.28955 -3.42055 63.546000 Cu 0.93618 0.988993 0.5 285 63.546 0.0855264 -3.51774