Number of particles = 652 A = 1 Angstrom (basic length-scale) H0(1,1) = 23.3233 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 93.2134 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.62834 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 0.0986234 0.00663771 0 341 63.546 0.0374689 -3.27231 63.546000 Cu 0.0371134 0.0202436 0.5 342 63.546 0.00620348 -3.27801 63.546000 Cu 0.0243928 0.048029 0.5 352 63.546 0.0036527 -3.28015 63.546000 Cu 0.0856815 0.0348152 6.81298e-17 354 63.546 0.0262149 -3.27689 63.546000 Cu 0.194605 0.0376262 9.89675e-17 355 63.546 0.0943608 -3.27613 63.546000 Cu 0.14679 0.0215332 0.5 356 63.546 0.150693 -3.27196 63.546000 Cu 0.134117 0.0499313 0.5 357 63.546 0.0692253 -3.28027 63.546000 Cu 0.207686 0.00889369 1.1594e-16 358 63.546 0.374989 -3.24621 63.546000 Cu 0.25422 0.0264492 0.5 361 63.546 0.0446844 -3.26041 63.546000 Cu 0.314206 0.0163259 0 359 63.546 0.377428 -3.2529 63.546000 Cu 0.377013 0.00507302 0.5 362 63.546 0.360883 -3.2736 63.546000 Cu 0.303004 0.0431318 1.21677e-16 380 63.546 0.0782465 -3.27499 63.546000 Cu 0.413786 0.0463599 2.19928e-17 381 63.546 0.0270088 -3.27796 63.546000 Cu 0.36438 0.0317004 0.5 382 63.546 0.132448 -3.27709 63.546000 Cu 0.425892 0.0192005 4.44637e-17 384 63.546 0.0371824 -3.27684 63.546000 Cu 0.488208 0.00605232 0.5 386 63.546 0.0218477 -3.27661 63.546000 Cu 0.475337 0.0335272 0.5 387 63.546 0.00645283 -3.28069 63.546000 Cu 0.53709 0.0202855 1 385 63.546 0.00597884 -3.27817 63.546000 Cu 0.598601 0.00668295 0.5 388 63.546 0.0366235 -3.27223 63.546000 Cu 0.524366 0.0480532 7.76919e-17 414 63.546 0.00367493 -3.2802 63.546000 Cu 0.634097 0.0499514 0 415 63.546 0.0694294 -3.28047 63.546000 Cu 0.585661 0.0348413 0.5 416 63.546 0.0263342 -3.27687 63.546000 Cu 0.646787 0.0215642 4.01607e-17 418 63.546 0.151749 -3.272 63.546000 Cu 0.707661 0.00893083 0.5 420 63.546 0.371721 -3.2458 63.546000 Cu 0.694628 0.0376536 0.5 421 63.546 0.0931566 -3.27635 63.546000 Cu 0.754239 0.026476 1.00163e-16 419 63.546 0.043971 -3.26063 63.546000 Cu 0.877027 0.00504694 1 331 63.546 0.353873 -3.27369 63.546000 Cu 0.814219 0.016331 0.5 332 63.546 0.375799 -3.25362 63.546000 Cu 0.803063 0.0431412 0.5 334 63.546 0.0778452 -3.27519 63.546000 Cu 0.864433 0.0316943 9.27522e-17 336 63.546 0.131816 -3.27728 63.546000 Cu 0.975348 0.0334985 3.82483e-18 337 63.546 0.00617886 -3.28073 63.546000 Cu 0.925919 0.0191729 0.5 338 63.546 0.0363234 -3.27685 63.546000 Cu 0.913829 0.0463489 0.5 339 63.546 0.0269968 -3.27803 63.546000 Cu 0.988255 0.00601889 1 340 63.546 0.0227186 -3.27653 63.546000 Cu 0.0730991 0.0627853 1 351 63.546 0.0167524 -3.28064 63.546000 Cu 0.06053 0.0905882 5.66553e-17 372 63.546 0.00887474 -3.28253 63.546000 Cu 0.169832 0.0936692 1.46061e-16 373 63.546 0.00895383 -3.28279 63.546000 Cu 0.121495 0.0779968 0.5 374 63.546 0.0279477 -3.28291 63.546000 Cu 0.182175 0.0658068 0 376 63.546 0.027675 -3.28115 63.546000 Cu 0.242541 0.0542711 0.5 378 63.546 0.0119198 -3.27661 63.546000 Cu 0.230501 0.0818709 0.5 379 63.546 0.0036713 -3.28097 63.546000 Cu 0.0118246 0.0756654 0.5 353 63.546 0.00186589 -3.28179 63.546000 Cu 0.291299 0.0702893 6.78908e-17 377 63.546 0.0211962 -3.27988 63.546000 Cu 0.352398 0.0585895 0.5 383 63.546 0.0434452 -3.27922 63.546000 Cu 0.279264 0.0975755 5.80896e-17 406 63.546 0.00681009 -3.28132 63.546000 Cu 0.389337 0.100784 1 407 63.546 0.00613747 -3.28169 63.546000 Cu 0.340266 0.0856979 0.5 408 63.546 0.0154377 -3.28083 63.546000 Cu 0.401522 0.073526 1.43431e-18 410 63.546 0.0128829 -3.28047 63.546000 Cu 0.462904 0.0609583 0.5 412 63.546 0.0046645 -3.2812 63.546000 Cu 0.450527 0.0883626 0.5 413 63.546 0.0025955 -3.28195 63.546000 Cu 0.499439 0.103264 4.78104e-19 446 63.546 0.00108679 -3.28266 63.546000 Cu 0.511855 0.0756967 7.67357e-17 411 63.546 0.00200835 -3.28187 63.546000 Cu 0.573096 0.0628186 0.5 417 63.546 0.0156613 -3.28074 63.546000 Cu 0.560553 0.0906289 0.5 448 63.546 0.00761406 -3.28254 63.546000 Cu 0.621533 0.0780209 1 450 63.546 0.0279267 -3.28293 63.546000 Cu 0.730543 0.0818852 1 451 63.546 0.00373421 -3.28089 63.546000 Cu 0.682202 0.0658192 0.5 452 63.546 0.0285162 -3.28117 63.546000 Cu 0.669862 0.093682 0.5 453 63.546 0.00947461 -3.28279 63.546000 Cu 0.742576 0.0542894 9.22741e-17 454 63.546 0.0115359 -3.27671 63.546000 Cu 0.852424 0.0585885 9.72941e-17 333 63.546 0.0431364 -3.27924 63.546000 Cu 0.791315 0.0702999 0.5 335 63.546 0.0215585 -3.27985 63.546000 Cu 0.77929 0.0975803 0.5 344 63.546 0.00639038 -3.28134 63.546000 Cu 0.840295 0.0856984 0 346 63.546 0.0149237 -3.28089 63.546000 Cu 0.950521 0.0883632 1.45344e-16 347 63.546 0.00303841 -3.28198 63.546000 Cu 0.901538 0.0735228 0.5 348 63.546 0.013288 -3.28056 63.546000 Cu 0.889343 0.100796 0.5 349 63.546 0.00664197 -3.2818 63.546000 Cu 0.962907 0.0609411 0 350 63.546 0.00454002 -3.28116 63.546000 Cu 0.999422 0.103251 0.5 370 63.546 0.00116744 -3.28257 63.546000 Cu 0.0483759 0.118299 2.0176e-16 369 63.546 0.00375857 -3.28328 63.546000 Cu 0.109154 0.105846 0.5 375 63.546 0.0107795 -3.28358 63.546000 Cu 0.0368365 0.145936 2.57459e-16 398 63.546 0.00150068 -3.28347 63.546000 Cu 0.146531 0.148977 0 399 63.546 0.00153782 -3.28313 63.546000 Cu 0.0973209 0.133559 0.5 400 63.546 0.00440816 -3.28356 63.546000 Cu 0.157909 0.121361 0 402 63.546 0.00350195 -3.28314 63.546000 Cu 0.218528 0.109395 0.5 404 63.546 0.00127018 -3.28208 63.546000 Cu 0.206948 0.136906 0.5 405 63.546 0.00065646 -3.28248 63.546000 Cu 0.25629 0.152346 1 438 63.546 0.000772182 -3.28241 63.546000 Cu 0.267504 0.124933 1 403 63.546 0.00248439 -3.282 63.546000 Cu 0.328327 0.112938 0.5 409 63.546 0.00562897 -3.28171 63.546000 Cu 0.366306 0.155502 1 439 63.546 0.00107318 -3.28254 63.546000 Cu 0.316815 0.140276 0.5 440 63.546 0.00218754 -3.28224 63.546000 Cu 0.37751 0.128113 1 442 63.546 0.00288612 -3.28233 63.546000 Cu 0.487574 0.130814 1 443 63.546 0.000637647 -3.2831 63.546000 Cu 0.438431 0.11578 0.5 444 63.546 0.00156572 -3.28255 63.546000 Cu 0.42689 0.14323 0.5 445 63.546 0.000969322 -3.28285 63.546000 Cu 0.609205 0.105876 4.78104e-19 447 63.546 0.00994363 -3.28353 63.546000 Cu 0.548419 0.118325 0.5 449 63.546 0.00333348 -3.2833 63.546000 Cu 0.536858 0.145953 0.5 480 63.546 0.0015028 -3.28344 63.546000 Cu 0.597363 0.133588 4.78104e-19 482 63.546 0.00390959 -3.28354 63.546000 Cu 0.706986 0.136919 1 483 63.546 0.000689585 -3.28253 63.546000 Cu 0.657936 0.121378 0.5 484 63.546 0.00360515 -3.28313 63.546000 Cu 0.646593 0.149005 0.5 485 63.546 0.00134719 -3.28319 63.546000 Cu 0.718541 0.1094 0 486 63.546 0.00131798 -3.28206 63.546000 Cu 0.756342 0.152375 0.5 519 63.546 0.000712045 -3.28238 63.546000 Cu 0.82833 0.112955 1.75703e-16 343 63.546 0.00606871 -3.28182 63.546000 Cu 0.767554 0.124947 0.5 345 63.546 0.00221571 -3.28204 63.546000 Cu 0.816821 0.14031 2.37618e-16 364 63.546 0.0028963 -3.28224 63.546000 Cu 0.926867 0.143222 2.3953e-16 365 63.546 0.000773121 -3.28283 63.546000 Cu 0.877469 0.128131 0.5 366 63.546 0.00341145 -3.28233 63.546000 Cu 0.866305 0.155532 0.5 367 63.546 0.00144294 -3.28258 63.546000 Cu 0.938423 0.115784 2.39052e-19 368 63.546 0.0016525 -3.28246 63.546000 Cu 0.98757 0.130801 0.5 371 63.546 0.000721709 -3.28301 63.546000 Cu 0.0258164 0.173541 1.18809e-16 395 63.546 0.000376755 -3.28333 63.546000 Cu 0.0861811 0.161213 0.5 401 63.546 0.0012454 -3.28341 63.546000 Cu 0.124695 0.204119 0 431 63.546 0.000173906 -3.28302 63.546000 Cu 0.0752434 0.188806 0.5 432 63.546 0.000408105 -3.28328 63.546000 Cu 0.135577 0.176561 6.16754e-17 434 63.546 0.000609488 -3.28308 63.546000 Cu 0.245445 0.179797 7.17156e-19 435 63.546 0.000155486 -3.28259 63.546000 Cu 0.195878 0.164416 0.5 436 63.546 0.000323064 -3.28271 63.546000 Cu 0.185054 0.191932 0.5 437 63.546 0.000144835 -3.28286 63.546000 Cu 0.234581 0.207253 6.8847e-17 470 63.546 3.95889e-05 -3.2827 63.546000 Cu 0.0148428 0.201094 4.54199e-17 430 63.546 0.000161605 -3.28318 63.546000 Cu 0.305838 0.16768 0.5 441 63.546 0.00076291 -3.28247 63.546000 Cu 0.344529 0.210391 2.46702e-16 471 63.546 0.000204547 -3.28283 63.546000 Cu 0.294972 0.195119 0.5 472 63.546 0.000262435 -3.2826 63.546000 Cu 0.355395 0.182932 1 474 63.546 0.000380504 -3.28269 63.546000 Cu 0.465369 0.185879 4.78104e-19 475 63.546 5.58363e-05 -3.28317 63.546000 Cu 0.415818 0.170688 0.5 476 63.546 0.000379547 -3.28288 63.546000 Cu 0.40495 0.198171 0.5 477 63.546 0.000224809 -3.28292 63.546000 Cu 0.476343 0.158353 1 478 63.546 0.00023413 -3.2832 63.546000 Cu 0.514865 0.201103 0.5 512 63.546 9.75216e-05 -3.28328 63.546000 Cu 0.586179 0.161235 1 479 63.546 0.0012016 -3.28338 63.546000 Cu 0.525802 0.173549 0.5 481 63.546 0.000395007 -3.28329 63.546000 Cu 0.575276 0.188813 1 514 63.546 0.000509978 -3.28324 63.546000 Cu 0.68511 0.191956 1 515 63.546 9.49814e-05 -3.28283 63.546000 Cu 0.635588 0.176583 0.5 516 63.546 0.000609952 -3.28304 63.546000 Cu 0.624792 0.204129 0.5 517 63.546 0.000292057 -3.28303 63.546000 Cu 0.695954 0.164441 1 518 63.546 0.000241603 -3.28279 63.546000 Cu 0.745455 0.179833 0.5 520 63.546 0.00023133 -3.2826 63.546000 Cu 0.734656 0.2073 0.5 551 63.546 7.0885e-05 -3.28275 63.546000 Cu 0.805875 0.167728 8.53415e-17 363 63.546 0.00127703 -3.28246 63.546000 Cu 0.795036 0.195156 0 390 63.546 0.000341079 -3.28261 63.546000 Cu 0.905001 0.19819 5.30695e-17 391 63.546 0.000302864 -3.28293 63.546000 Cu 0.855441 0.182967 0.5 392 63.546 0.00059975 -3.28267 63.546000 Cu 0.844648 0.210425 0.5 393 63.546 0.000376549 -3.2828 63.546000 Cu 0.915864 0.170693 6.81298e-17 394 63.546 0.000262787 -3.28294 63.546000 Cu 0.976334 0.158337 0.5 396 63.546 0.000278331 -3.28323 63.546000 Cu 0.965382 0.18587 0.5 397 63.546 6.46902e-05 -3.28319 63.546000 Cu 0.0642915 0.216354 0.5 433 63.546 0.00020486 -3.28315 63.546000 Cu 0.102817 0.25914 1 463 63.546 0.000130923 -3.28304 63.546000 Cu 0.0533357 0.243893 0.5 464 63.546 5.59101e-05 -3.28316 63.546000 Cu 0.113703 0.231629 6.59783e-17 466 63.546 0.000203231 -3.28299 63.546000 Cu 0.223625 0.234724 5.83287e-17 467 63.546 3.0367e-05 -3.28268 63.546000 Cu 0.174128 0.219422 0.5 468 63.546 9.6496e-05 -3.28288 63.546000 Cu 0.163226 0.246899 0.5 469 63.546 0.000185155 -3.2829 63.546000 Cu 0.212762 0.26218 1 502 63.546 0.000113043 -3.28268 63.546000 Cu 0.00384988 0.228653 1.89329e-16 427 63.546 3.63891e-05 -3.28324 63.546000 Cu 0.284045 0.222573 0.5 473 63.546 9.83564e-05 -3.28271 63.546000 Cu 0.273153 0.250015 0.5 504 63.546 1.35253e-05 -3.28271 63.546000 Cu 0.333547 0.237852 1 506 63.546 9.58173e-05 -3.28278 63.546000 Cu 0.443482 0.240905 1 507 63.546 9.41813e-05 -3.28305 63.546000 Cu 0.393989 0.225655 0.5 508 63.546 0.000164079 -3.28297 63.546000 Cu 0.383141 0.253141 0.5 509 63.546 0.000170448 -3.28302 63.546000 Cu 0.45447 0.213395 1 510 63.546 6.16045e-05 -3.28311 63.546000 Cu 0.493007 0.256162 0.5 544 63.546 4.05061e-05 -3.28318 63.546000 Cu 0.503901 0.22864 0.5 513 63.546 1.88937e-05 -3.28323 63.546000 Cu 0.564382 0.216358 1 511 63.546 0.000253226 -3.28321 63.546000 Cu 0.553381 0.243878 1 546 63.546 0.000108377 -3.28319 63.546000 Cu 0.663292 0.24693 2.39052e-19 547 63.546 9.58008e-05 -3.28283 63.546000 Cu 0.613789 0.231636 0.5 548 63.546 0.000256824 -3.28302 63.546000 Cu 0.602858 0.259136 0.5 549 63.546 0.000175781 -3.28302 63.546000 Cu 0.674235 0.219457 1 550 63.546 4.93873e-05 -3.28284 63.546000 Cu 0.723697 0.234769 0.5 552 63.546 2.21438e-05 -3.28261 63.546000 Cu 0.712791 0.262209 0.5 584 63.546 0.000105587 -3.28258 63.546000 Cu 0.784117 0.222612 0 389 63.546 8.64928e-05 -3.28274 63.546000 Cu 0.773205 0.250058 1 422 63.546 2.25643e-05 -3.2827 63.546000 Cu 0.88309 0.253196 1 423 63.546 0.000266484 -3.28308 63.546000 Cu 0.833606 0.237898 0.5 424 63.546 9.83905e-05 -3.28274 63.546000 Cu 0.893991 0.225696 1 426 63.546 0.000326634 -3.28301 63.546000 Cu 0.954496 0.213407 0.5 428 63.546 9.41297e-05 -3.28317 63.546000 Cu 0.94348 0.240947 0.5 429 63.546 0.000135299 -3.28315 63.546000 Cu 0.992941 0.25619 3.41844e-17 462 63.546 2.45245e-05 -3.28328 63.546000 Cu 0.0424505 0.271426 0.5 465 63.546 8.91194e-05 -3.2832 63.546000 Cu 0.0807372 0.314089 0 495 63.546 0.000316604 -3.28286 63.546000 Cu 0.0313332 0.298934 0.5 496 63.546 9.43786e-05 -3.28316 63.546000 Cu 0.0918831 0.286627 1 498 63.546 0.000158258 -3.28301 63.546000 Cu 0.201866 0.289615 4.78104e-19 499 63.546 0.00044952 -3.28268 63.546000 Cu 0.152392 0.27437 0.5 500 63.546 0.000344025 -3.28283 63.546000 Cu 0.141313 0.301817 0.5 501 63.546 0.000510156 -3.28273 63.546000 Cu 0.26234 0.277464 0.5 505 63.546 0.00017633 -3.28262 63.546000 Cu 0.25125 0.304909 0.5 536 63.546 0.000363252 -3.28257 63.546000 Cu 0.322726 0.265323 1 503 63.546 7.08784e-05 -3.28289 63.546000 Cu 0.31175 0.292792 1 538 63.546 9.94072e-05 -3.28284 63.546000 Cu 0.421538 0.295962 4.78104e-19 539 63.546 0.000579601 -3.2833 63.546000 Cu 0.372237 0.28064 0.5 540 63.546 0.000334749 -3.28307 63.546000 Cu 0.361022 0.308165 0.5 541 63.546 0.000478645 -3.28311 63.546000 Cu 0.432637 0.26842 2.39052e-19 542 63.546 0.00019445 -3.28318 63.546000 Cu 0.482043 0.283692 0.5 545 63.546 0.000219574 -3.28326 63.546000 Cu 0.470801 0.311229 0.5 576 63.546 0.000502012 -3.28339 63.546000 Cu 0.542526 0.271401 1 543 63.546 0.000123008 -3.28317 63.546000 Cu 0.531344 0.298911 2.49809e-16 578 63.546 8.0954e-05 -3.28309 63.546000 Cu 0.641273 0.301834 1 579 63.546 0.00045039 -3.28271 63.546000 Cu 0.591891 0.286631 0.5 580 63.546 0.000118996 -3.28301 63.546000 Cu 0.580701 0.314086 0.5 581 63.546 0.00026806 -3.28284 63.546000 Cu 0.652412 0.274379 2.39052e-19 582 63.546 0.000413934 -3.28283 63.546000 Cu 0.701825 0.289644 0.5 585 63.546 0.000492021 -3.28269 63.546000 Cu 0.762343 0.277513 8.05605e-17 583 63.546 0.000215474 -3.28263 63.546000 Cu 0.751176 0.304958 1.52515e-16 616 63.546 0.000336189 -3.28254 63.546000 Cu 0.822692 0.265378 0.5 425 63.546 8.63488e-05 -3.28285 63.546000 Cu 0.860986 0.30824 1.16657e-16 455 63.546 0.000700878 -3.28312 63.546000 Cu 0.811675 0.292862 0.5 456 63.546 0.000108099 -3.28285 63.546000 Cu 0.872164 0.280711 2.94512e-16 458 63.546 0.000455319 -3.28302 63.546000 Cu 0.981954 0.283733 1 459 63.546 0.000215544 -3.28327 63.546000 Cu 0.932547 0.268484 0.5 460 63.546 0.000347675 -3.28322 63.546000 Cu 0.921487 0.296025 0.5 461 63.546 0.000745216 -3.28328 63.546000 Cu 0.970799 0.311286 1.33391e-16 494 63.546 0.000753339 -3.2834 63.546000 Cu 0.0695243 0.341531 1 530 63.546 0.000642977 -3.28278 63.546000 Cu 0.179599 0.344405 9.25131e-17 531 63.546 0.00269008 -3.28219 63.546000 Cu 0.130145 0.329219 0.5 532 63.546 0.00131977 -3.28249 63.546000 Cu 0.11896 0.356594 0.5 533 63.546 0.00291832 -3.28218 63.546000 Cu 0.190742 0.317034 1 534 63.546 0.000993007 -3.28242 63.546000 Cu 0.240152 0.332326 0.5 537 63.546 0.00118954 -3.28233 63.546000 Cu 0.229042 0.359728 0.5 568 63.546 0.00284351 -3.28199 63.546000 Cu 0.0201073 0.326445 0.5 497 63.546 0.000241079 -3.2832 63.546000 Cu 0.00884175 0.353969 0.5 528 63.546 0.000581774 -3.28303 63.546000 Cu 0.300621 0.320282 2.39052e-19 535 63.546 0.000206136 -3.28263 63.546000 Cu 0.289483 0.347771 1 570 63.546 0.000406943 -3.28239 63.546000 Cu 0.399063 0.351143 6.86079e-17 571 63.546 0.00379808 -3.28347 63.546000 Cu 0.349877 0.335719 0.5 572 63.546 0.00119566 -3.28305 63.546000 Cu 0.338724 0.363318 0.5 573 63.546 0.0030482 -3.28293 63.546000 Cu 0.410292 0.323522 1 574 63.546 0.00131589 -3.28341 63.546000 Cu 0.459511 0.338809 0.5 577 63.546 0.00175224 -3.28344 63.546000 Cu 0.448253 0.36642 0.5 606 63.546 0.00382185 -3.28346 63.546000 Cu 0.520063 0.326421 0 575 63.546 0.000284797 -3.28318 63.546000 Cu 0.508842 0.353941 1.72117e-16 608 63.546 0.000493091 -3.28315 63.546000 Cu 0.618916 0.356614 1.27176e-16 609 63.546 0.00303744 -3.28227 63.546000 Cu 0.569449 0.341525 0.5 610 63.546 0.000755302 -3.28274 63.546000 Cu 0.630045 0.329244 1 612 63.546 0.00126195 -3.28256 63.546000 Cu 0.740008 0.332402 2.76822e-16 613 63.546 0.000736421 -3.28233 63.546000 Cu 0.690686 0.317066 0.5 614 63.546 0.00113739 -3.28253 63.546000 Cu 0.679546 0.344459 0.5 615 63.546 0.00232438 -3.28217 63.546000 Cu 0.728975 0.359799 2.60567e-17 638 63.546 0.00248263 -3.2819 63.546000 Cu 0.800495 0.32035 0.5 457 63.546 0.000135343 -3.28273 63.546000 Cu 0.838687 0.363405 3.5547e-16 487 63.546 0.00350815 -3.2829 63.546000 Cu 0.789416 0.347846 0.5 488 63.546 0.000453075 -3.28236 63.546000 Cu 0.849801 0.335796 2.03433e-16 490 63.546 0.00143055 -3.28309 63.546000 Cu 0.959541 0.338859 0 491 63.546 0.00187494 -3.28352 63.546000 Cu 0.910222 0.323589 0.5 492 63.546 0.00164266 -3.28349 63.546000 Cu 0.89904 0.351219 0.5 493 63.546 0.00444124 -3.28353 63.546000 Cu 0.948262 0.366481 1 526 63.546 0.00430899 -3.28336 63.546000 Cu 0.0582873 0.368957 1.40323e-16 527 63.546 0.00143484 -3.28251 63.546000 Cu 0.0470682 0.396368 7.93652e-17 562 63.546 0.00309443 -3.28213 63.546000 Cu 0.157413 0.398996 1.74269e-16 563 63.546 0.0166787 -3.28078 63.546000 Cu 0.107833 0.383921 0.5 564 63.546 0.00669669 -3.28166 63.546000 Cu 0.0966595 0.411182 0.5 565 63.546 0.0147321 -3.28059 63.546000 Cu 0.168472 0.371732 9.75332e-17 566 63.546 0.00676972 -3.28173 63.546000 Cu 0.218005 0.387111 0.5 569 63.546 0.00694014 -3.28119 63.546000 Cu 0.207025 0.414421 0.5 598 63.546 0.0209304 -3.27929 63.546000 Cu 0.267377 0.402832 2.90926e-16 600 63.546 0.00361998 -3.28027 63.546000 Cu 0.278381 0.375274 6.26316e-17 567 63.546 0.00113849 -3.28188 63.546000 Cu 0.376499 0.406706 5.76115e-17 601 63.546 0.0279577 -3.28307 63.546000 Cu 0.327524 0.391019 0.5 602 63.546 0.00843717 -3.28239 63.546000 Cu 0.316314 0.418898 0.5 603 63.546 0.0274941 -3.28057 63.546000 Cu 0.387822 0.378851 1.64707e-16 604 63.546 0.0105548 -3.28359 63.546000 Cu 0.497588 0.381483 3.40649e-16 605 63.546 0.00105107 -3.2829 63.546000 Cu 0.436912 0.394107 0.5 607 63.546 0.00814873 -3.28299 63.546000 Cu 0.486197 0.409045 3.75551e-16 630 63.546 0.00206533 -3.28231 63.546000 Cu 0.558277 0.368959 0.5 611 63.546 0.0013416 -3.28256 63.546000 Cu 0.596553 0.411203 1.87656e-16 631 63.546 0.014359 -3.28059 63.546000 Cu 0.54701 0.396374 0.5 632 63.546 0.00261232 -3.28215 63.546000 Cu 0.607756 0.383944 7.53014e-17 634 63.546 0.00673727 -3.28168 63.546000 Cu 0.717887 0.38717 8.84492e-17 635 63.546 0.00677994 -3.2811 63.546000 Cu 0.668405 0.37179 0.5 636 63.546 0.00597659 -3.28167 63.546000 Cu 0.657352 0.399053 0.5 637 63.546 0.0153688 -3.2807 63.546000 Cu 0.706939 0.414485 5.83287e-17 650 63.546 0.0205415 -3.27925 63.546000 Cu 0.767258 0.402903 0.5 651 63.546 0.00345169 -3.28017 63.546000 Cu 0.77833 0.375358 0.5 489 63.546 0.00112133 -3.28185 63.546000 Cu 0.816236 0.418979 1.0327e-16 521 63.546 0.028403 -3.28045 63.546000 Cu 0.827462 0.3911 2.67738e-17 522 63.546 0.00891113 -3.28244 63.546000 Cu 0.936945 0.394183 5.88068e-17 523 63.546 0.00949693 -3.283 63.546000 Cu 0.887794 0.378935 0.5 524 63.546 0.0118183 -3.28358 63.546000 Cu 0.876427 0.406787 0.5 525 63.546 0.0298163 -3.28311 63.546000 Cu 0.997568 0.38151 0.5 529 63.546 0.00119333 -3.28278 63.546000 Cu 0.986256 0.409089 0.5 560 63.546 0.00193614 -3.2822 63.546000 Cu 0.0357292 0.423779 1 559 63.546 0.00492549 -3.28136 63.546000 Cu 0.135204 0.453011 6.4544e-18 593 63.546 0.136754 -3.27698 63.546000 Cu 0.0853423 0.438352 0.5 594 63.546 0.0292255 -3.27834 63.546000 Cu 0.074047 0.465522 0.5 595 63.546 0.038814 -3.27715 63.546000 Cu 0.146358 0.426125 5.25914e-18 596 63.546 0.044349 -3.27912 63.546000 Cu 0.196291 0.441587 0.5 599 63.546 0.0793081 -3.27366 63.546000 Cu 0.185818 0.468386 0.5 620 63.546 0.390181 -3.24931 63.546000 Cu 0.245582 0.4583 2.36183e-16 622 63.546 0.0474442 -3.25825 63.546000 Cu 0.0242161 0.451207 1 592 63.546 0.00696808 -3.28121 63.546000 Cu 0.425507 0.421912 0.5 628 63.546 0.0158134 -3.28138 63.546000 Cu 0.256409 0.43045 1.1857e-16 597 63.546 0.0122479 -3.27545 63.546000 Cu 0.353206 0.463154 2.00804e-17 623 63.546 0.145257 -3.27248 63.546000 Cu 0.304887 0.447099 0.5 624 63.546 0.0972884 -3.27582 63.546000 Cu 0.364994 0.434772 1.19526e-16 626 63.546 0.0680398 -3.28069 63.546000 Cu 0.47473 0.436675 2.01999e-16 627 63.546 0.00352743 -3.28079 63.546000 Cu 0.413921 0.449871 0.5 629 63.546 0.024752 -3.2778 63.546000 Cu 0.462881 0.464437 8.98835e-17 642 63.546 0.00562754 -3.27876 63.546000 Cu 0.524211 0.451195 0.5 644 63.546 0.00695769 -3.28141 63.546000 Cu 0.745466 0.458376 0.5 57 63.546 0.0467526 -3.25796 63.546000 Cu 0.685749 0.468463 1.059e-16 302 63.546 0.384649 -3.24871 63.546000 Cu 0.535657 0.42377 0.5 633 63.546 0.00484679 -3.28137 63.546000 Cu 0.573993 0.465542 3.19612e-16 643 63.546 0.0384675 -3.27735 63.546000 Cu 0.585265 0.438374 3.22242e-16 646 63.546 0.0284526 -3.27847 63.546000 Cu 0.696152 0.441652 5.37867e-17 647 63.546 0.077113 -3.2736 63.546000 Cu 0.646208 0.426163 0.5 648 63.546 0.0442271 -3.27916 63.546000 Cu 0.63518 0.453062 0.5 649 63.546 0.133922 -3.27704 63.546000 Cu 0.925471 0.421978 1 558 63.546 0.0170424 -3.28122 63.546000 Cu 0.756308 0.430528 0.5 652 63.546 0.0122377 -3.27551 63.546000 Cu 0.804792 0.447185 1 554 63.546 0.0983774 -3.27565 63.546000 Cu 0.913885 0.449953 1 555 63.546 0.0267978 -3.27755 63.546000 Cu 0.864915 0.434865 0.5 556 63.546 0.072382 -3.28061 63.546000 Cu 0.853081 0.463254 0.5 557 63.546 0.15256 -3.27242 63.546000 Cu 0.974693 0.436713 0.5 561 63.546 0.00381399 -3.28059 63.546000 Cu 0.96285 0.464483 0.5 590 63.546 0.00553922 -3.27852 63.546000 Cu 0.115493 0.506183 1 1 63.546 3.62266 -3.19937 63.546000 Cu 0.173534 0.518449 0.5 2 63.546 7.20238 -2.99972 63.546000 Cu 0.00458185 0.506235 5.30695e-17 4 63.546 0.195728 -3.28899 63.546000 Cu 0.0628542 0.519807 0.5 6 63.546 0.127436 -3.27841 63.546000 Cu 0.0619944 0.492608 0.5 617 63.546 0.138586 -3.28004 63.546000 Cu 0.12323 0.479633 1 618 63.546 0.373112 -3.27348 63.546000 Cu 0.233892 0.486548 2.01043e-16 619 63.546 5.79356 -3.09623 63.546000 Cu 0.17275 0.493863 0.5 621 63.546 7.17176 -2.99451 63.546000 Cu 0.0120003 0.478679 1 589 63.546 0.0221433 -3.27715 63.546000 Cu 0.235025 0.525831 4.01607e-17 58 63.546 5.83376 -3.09957 63.546000 Cu 0.292504 0.475842 0.5 625 63.546 0.382757 -3.24818 63.546000 Cu 0.451791 0.520126 2.01043e-16 31 63.546 0.110054 -3.27524 63.546000 Cu 0.392371 0.506207 0.5 33 63.546 0.34595 -3.26543 63.546000 Cu 0.277387 0.506149 0.5 59 63.546 4.66147 -3.2318 63.546000 Cu 0.341162 0.520449 5.0679e-17 60 63.546 0.411233 -3.24947 63.546000 Cu 0.34038 0.491889 5.95239e-17 639 63.546 0.395679 -3.2528 63.546000 Cu 0.450973 0.492323 0 640 63.546 0.118211 -3.27698 63.546000 Cu 0.40165 0.478029 0.5 641 63.546 0.0343208 -3.27294 63.546000 Cu 0.511962 0.478669 0.5 645 63.546 0.022865 -3.27746 63.546000 Cu 0.673579 0.518514 1 13 63.546 7.18849 -3.00025 63.546000 Cu 0.615507 0.506233 0.5 14 63.546 3.6288 -3.19916 63.546000 Cu 0.733857 0.486636 0.5 15 63.546 5.78458 -3.09619 63.546000 Cu 0.504582 0.506224 0.5 32 63.546 0.195807 -3.28896 63.546000 Cu 0.562886 0.519823 8.96445e-17 34 63.546 0.126572 -3.27802 63.546000 Cu 0.623155 0.479679 0.5 322 63.546 0.372662 -3.27366 63.546000 Cu 0.672681 0.493928 2.65348e-17 327 63.546 7.18541 -2.99405 63.546000 Cu 0.561994 0.492627 9.2035e-17 329 63.546 0.13717 -3.2804 63.546000 Cu 0.735055 0.525924 0.5 18 63.546 5.85128 -3.09975 63.546000 Cu 0.792429 0.475933 1 553 63.546 0.385389 -3.24806 63.546000 Cu 0.892382 0.506287 0 3 63.546 0.343349 -3.26538 63.546000 Cu 0.951783 0.520169 0.5 7 63.546 0.11081 -3.27552 63.546000 Cu 0.841156 0.520541 0.5 17 63.546 0.407377 -3.24919 63.546000 Cu 0.77735 0.50623 2.16342e-16 586 63.546 4.67001 -3.23174 63.546000 Cu 0.840349 0.491987 0.5 587 63.546 0.401422 -3.25293 63.546000 Cu 0.901607 0.478101 1 588 63.546 0.0356564 -3.27276 63.546000 Cu 0.950949 0.492366 0.5 591 63.546 0.119016 -3.27671 63.546000 Cu 0.0134942 0.533789 6.28707e-17 5 63.546 0.0212084 -3.27619 63.546000 Cu 0.12465 0.532728 1.09964e-17 8 63.546 0.358272 -3.27292 63.546000 Cu 0.137894 0.559332 1.60882e-16 9 63.546 0.130373 -3.27665 63.546000 Cu 0.187723 0.543939 0.5 10 63.546 0.375887 -3.25374 63.546000 Cu 0.0761252 0.546873 0.5 11 63.546 0.0362202 -3.2764 63.546000 Cu 0.199393 0.570726 0.5 12 63.546 0.0754886 -3.27495 63.546000 Cu 0.0269955 0.561238 1.19526e-16 23 63.546 0.00677755 -3.28066 63.546000 Cu 0.0886768 0.574015 0.5 25 63.546 0.0264567 -3.27788 63.546000 Cu 0.247915 0.554036 6.55002e-17 91 63.546 0.0471453 -3.26128 63.546000 Cu 0.35527 0.549208 1.83114e-16 61 63.546 0.150169 -3.27132 63.546000 Cu 0.403075 0.53438 0.5 62 63.546 0.0334587 -3.27149 63.546000 Cu 0.294067 0.53649 0.5 63 63.546 0.397944 -3.24732 63.546000 Cu 0.46494 0.548005 1.92437e-16 64 63.546 0.00599176 -3.27748 63.546000 Cu 0.416621 0.562541 0.5 67 63.546 0.0230588 -3.27637 63.546000 Cu 0.307709 0.565224 0.5 93 63.546 0.103832 -3.27658 63.546000 Cu 0.478061 0.575752 1 65 63.546 0.00350175 -3.28002 63.546000 Cu 0.368315 0.577589 1.71878e-16 94 63.546 0.0692915 -3.28027 63.546000 Cu 0.576147 0.546894 2.15147e-17 35 63.546 0.0368208 -3.27623 63.546000 Cu 0.624695 0.532776 0.5 36 63.546 0.360211 -3.27262 63.546000 Cu 0.513501 0.533776 0.5 37 63.546 0.0209441 -3.27594 63.546000 Cu 0.687764 0.54401 1 38 63.546 0.379157 -3.25417 63.546000 Cu 0.699382 0.570798 1 39 63.546 0.0770018 -3.27501 63.546000 Cu 0.637905 0.559379 0.5 41 63.546 0.131204 -3.27658 63.546000 Cu 0.526965 0.561232 0.5 66 63.546 0.00698048 -3.28054 63.546000 Cu 0.588652 0.574038 1 68 63.546 0.0267147 -3.27785 63.546000 Cu 0.747939 0.554123 0.5 40 63.546 0.046892 -3.26141 63.546000 Cu 0.978111 0.575784 0.5 26 63.546 0.00348639 -3.28027 63.546000 Cu 0.794097 0.536582 9.06007e-17 16 63.546 0.395921 -3.24711 63.546000 Cu 0.903094 0.534458 1.5132e-16 19 63.546 0.0321877 -3.27178 63.546000 Cu 0.916688 0.562614 2.63674e-16 20 63.546 0.0215017 -3.2767 63.546000 Cu 0.964977 0.548046 0.5 21 63.546 0.00592174 -3.2778 63.546000 Cu 0.855308 0.549308 0.5 22 63.546 0.143632 -3.27138 63.546000 Cu 0.807731 0.565312 0 42 63.546 0.102298 -3.27688 63.546000 Cu 0.868396 0.577676 0.5 44 63.546 0.0648933 -3.2805 63.546000 Cu 0.0396503 0.588634 2.83994e-16 24 63.546 0.00466368 -3.28112 63.546000 Cu 0.15013 0.586194 3.02401e-16 27 63.546 0.040993 -3.279 63.546000 Cu 0.162422 0.613275 6.76517e-17 28 63.546 0.0136219 -3.28073 63.546000 Cu 0.211332 0.597863 0.5 29 63.546 0.0190403 -3.27987 63.546000 Cu 0.101132 0.601156 0.5 30 63.546 0.0130424 -3.28031 63.546000 Cu 0.0522203 0.616002 1.03509e-16 50 63.546 0.00264899 -3.28195 63.546000 Cu 0.11359 0.628377 0.5 52 63.546 0.00569467 -3.28158 63.546000 Cu 0.00347564 0.630913 0.5 53 63.546 0.000898739 -3.28256 63.546000 Cu 0.223555 0.625138 0.5 126 63.546 0.0056603 -3.28152 63.546000 Cu 0.259938 0.58186 2.82081e-17 92 63.546 0.0124287 -3.27691 63.546000 Cu 0.381034 0.605649 1.67336e-17 95 63.546 0.0273 -3.28302 63.546000 Cu 0.429436 0.590488 0.5 96 63.546 0.0142936 -3.2806 63.546000 Cu 0.320355 0.593413 0.5 97 63.546 0.0302051 -3.28142 63.546000 Cu 0.442107 0.618272 0.5 101 63.546 0.00704553 -3.28252 63.546000 Cu 0.272101 0.609452 0 123 63.546 0.0035798 -3.28104 63.546000 Cu 0.332825 0.621274 0.5 125 63.546 0.00945787 -3.28306 63.546000 Cu 0.490772 0.603363 1.01358e-16 98 63.546 0.0018222 -3.28191 63.546000 Cu 0.60108 0.601191 9.41865e-17 69 63.546 0.0137666 -3.2803 63.546000 Cu 0.650138 0.586244 0.5 70 63.546 0.0417635 -3.27898 63.546000 Cu 0.539643 0.58864 0.5 71 63.546 0.00494479 -3.28106 63.546000 Cu 0.711291 0.597928 1.03031e-16 72 63.546 0.0196826 -3.27979 63.546000 Cu 0.723504 0.625195 1.60165e-17 73 63.546 0.00591354 -3.28144 63.546000 Cu 0.662409 0.613321 0.5 75 63.546 0.013857 -3.28068 63.546000 Cu 0.503424 0.630914 4.20731e-17 99 63.546 0.000893355 -3.28253 63.546000 Cu 0.552183 0.616017 0.5 100 63.546 0.00297832 -3.28189 63.546000 Cu 0.613528 0.628413 1 102 63.546 0.00597948 -3.28154 63.546000 Cu 0.990813 0.603382 0.5 48 63.546 0.00175681 -3.282 63.546000 Cu 0.820356 0.593488 1 43 63.546 0.0292757 -3.28161 63.546000 Cu 0.759959 0.58193 0.5 45 63.546 0.0122503 -3.27697 63.546000 Cu 0.929489 0.590548 1.98891e-16 46 63.546 0.0129388 -3.28084 63.546000 Cu 0.942177 0.618313 5.68944e-17 47 63.546 0.00627546 -3.28265 63.546000 Cu 0.881075 0.605717 0.5 49 63.546 0.0253359 -3.28316 63.546000 Cu 0.772109 0.609513 0.5 74 63.546 0.00353775 -3.28108 63.546000 Cu 0.832835 0.621334 3.6814e-17 76 63.546 0.00903175 -3.28316 63.546000 Cu 0.0648201 0.643378 5.73725e-17 51 63.546 0.00136276 -3.28242 63.546000 Cu 0.174831 0.640498 1.11637e-16 54 63.546 0.00479502 -3.28177 63.546000 Cu 0.187438 0.667799 1.76659e-16 55 63.546 0.00150491 -3.28229 63.546000 Cu 0.126185 0.65567 0.5 56 63.546 0.00233338 -3.2822 63.546000 Cu 0.0162399 0.658417 0.5 82 63.546 0.000372963 -3.28283 63.546000 Cu 0.0776208 0.670777 8.39072e-17 84 63.546 0.000681923 -3.28266 63.546000 Cu 0.138964 0.68302 0.5 86 63.546 0.000998751 -3.28253 63.546000 Cu 0.236009 0.652479 0.5 156 63.546 0.00174208 -3.28225 63.546000 Cu 0.248699 0.679856 0.5 160 63.546 0.000405059 -3.28262 63.546000 Cu 0.284503 0.636967 7.67357e-17 124 63.546 0.00119125 -3.2824 63.546000 Cu 0.393733 0.63348 1 127 63.546 0.0100805 -3.28355 63.546000 Cu 0.4065 0.66117 1 128 63.546 0.00348072 -3.28353 63.546000 Cu 0.454844 0.645939 0.5 129 63.546 0.00299749 -3.28302 63.546000 Cu 0.345442 0.648955 0.5 130 63.546 0.00326028 -3.28341 63.546000 Cu 0.467712 0.673535 0.5 134 63.546 0.00117778 -3.28318 63.546000 Cu 0.297096 0.664456 4.30294e-18 157 63.546 0.000518967 -3.28289 63.546000 Cu 0.358223 0.67655 0.5 159 63.546 0.00109743 -3.28336 63.546000 Cu 0.626115 0.655701 2.04628e-16 103 63.546 0.00237699 -3.28226 63.546000 Cu 0.674779 0.640542 0.5 104 63.546 0.0050684 -3.28175 63.546000 Cu 0.564731 0.6434 0.5 105 63.546 0.00161906 -3.28235 63.546000 Cu 0.68742 0.667842 0.5 109 63.546 0.00184568 -3.28229 63.546000 Cu 0.516151 0.658424 1 131 63.546 0.00043447 -3.2828 63.546000 Cu 0.577533 0.670808 0.5 133 63.546 0.000933538 -3.28268 63.546000 Cu 0.638961 0.683047 3.38976e-16 135 63.546 0.00099454 -3.28258 63.546000 Cu 0.735977 0.652522 2.7228e-16 106 63.546 0.00179868 -3.28224 63.546000 Cu 0.748747 0.679885 2.43116e-16 107 63.546 0.000488464 -3.28257 63.546000 Cu 0.845486 0.648998 0 77 63.546 0.00307084 -3.2835 63.546000 Cu 0.893778 0.633531 0.5 78 63.546 0.00893916 -3.28371 63.546000 Cu 0.784487 0.637015 0.5 79 63.546 0.00116602 -3.28244 63.546000 Cu 0.954973 0.645967 0 80 63.546 0.00240776 -3.28315 63.546000 Cu 0.967821 0.673539 8.41463e-17 81 63.546 0.00092908 -3.28326 63.546000 Cu 0.906564 0.6612 0.5 83 63.546 0.00289934 -3.28359 63.546000 Cu 0.797092 0.66448 0.5 108 63.546 0.000496211 -3.28286 63.546000 Cu 0.858278 0.67656 0 110 63.546 0.0011802 -3.28332 63.546000 Cu 0.090591 0.698194 7.45842e-17 85 63.546 0.000319367 -3.28283 63.546000 Cu 0.0291672 0.685899 0.5 87 63.546 0.000193543 -3.28299 63.546000 Cu 0.200323 0.695161 1 88 63.546 0.000452174 -3.28262 63.546000 Cu 0.213384 0.722552 1 89 63.546 7.57969e-05 -3.28273 63.546000 Cu 0.151992 0.710412 0.5 90 63.546 0.000417067 -3.28275 63.546000 Cu 0.0422674 0.713384 0.5 116 63.546 0.000109642 -3.28314 63.546000 Cu 0.103712 0.725641 6.93251e-18 118 63.546 0.000261644 -3.28299 63.546000 Cu 0.309943 0.69193 1 158 63.546 0.000231207 -3.28297 63.546000 Cu 0.419453 0.688769 1 161 63.546 0.00115583 -3.2834 63.546000 Cu 0.432607 0.716318 9.80113e-17 162 63.546 0.000262323 -3.28328 63.546000 Cu 0.371264 0.704082 0.5 164 63.546 0.000422149 -3.28327 63.546000 Cu 0.261663 0.707259 0.5 189 63.546 5.49271e-05 -3.28274 63.546000 Cu 0.322992 0.719385 5.21133e-17 190 63.546 0.000187252 -3.28298 63.546000 Cu 0.384382 0.731581 0.5 192 63.546 0.000208214 -3.28311 63.546000 Cu 0.274762 0.734677 0.5 193 63.546 5.13029e-05 -3.28278 63.546000 Cu 0.480836 0.701085 0.5 163 63.546 0.000259265 -3.28323 63.546000 Cu 0.493982 0.728602 0.5 168 63.546 7.74132e-05 -3.28318 63.546000 Cu 0.529134 0.685911 1.83592e-16 132 63.546 0.000185036 -3.28294 63.546000 Cu 0.651972 0.710435 1.36499e-16 136 63.546 0.000443222 -3.2828 63.546000 Cu 0.700335 0.695186 0.5 137 63.546 0.000501577 -3.2826 63.546000 Cu 0.590561 0.698227 0.5 138 63.546 0.000512553 -3.28283 63.546000 Cu 0.713366 0.722567 0.5 142 63.546 8.40476e-05 -3.28277 63.546000 Cu 0.542262 0.7134 1.94827e-16 165 63.546 7.81249e-05 -3.28299 63.546000 Cu 0.603673 0.725667 0.5 167 63.546 0.000378817 -3.28296 63.546000 Cu 0.98088 0.701079 0 114 63.546 0.000157113 -3.28326 63.546000 Cu 0.994064 0.728603 5.12527e-16 115 63.546 2.28834e-05 -3.28319 63.546000 Cu 0.871256 0.70407 2.73714e-16 111 63.546 0.000632587 -3.28319 63.546000 Cu 0.919489 0.68878 0.5 112 63.546 0.00090614 -3.28339 63.546000 Cu 0.809971 0.691935 0.5 113 63.546 0.000249828 -3.28292 63.546000 Cu 0.932623 0.716308 0.5 117 63.546 0.000280328 -3.28324 63.546000 Cu 0.761676 0.707278 2.03911e-16 139 63.546 9.4273e-05 -3.28271 63.546000 Cu 0.774716 0.734679 1.09964e-16 140 63.546 8.9851e-05 -3.28282 63.546000 Cu 0.823005 0.719383 0.5 141 63.546 0.000207997 -3.28302 63.546000 Cu 0.884422 0.731553 9.34693e-17 143 63.546 0.000408476 -3.2831 63.546000 Cu 0.116951 0.753112 0 119 63.546 0.000321307 -3.28305 63.546000 Cu 0.16511 0.737824 0.5 120 63.546 0.000140682 -3.28291 63.546000 Cu 0.0555125 0.740881 0.5 121 63.546 0.00020406 -3.28317 63.546000 Cu 0.178362 0.76527 0.5 122 63.546 0.00012449 -3.28296 63.546000 Cu 0.00734476 0.756101 1.06378e-16 147 63.546 9.53053e-05 -3.28301 63.546000 Cu 0.0206635 0.783601 2.62957e-18 148 63.546 0.000358564 -3.28307 63.546000 Cu 0.068829 0.768376 0.5 149 63.546 0.000436374 -3.28312 63.546000 Cu 0.130259 0.780599 1.6638e-16 151 63.546 0.000693107 -3.28323 63.546000 Cu 0.226546 0.749967 2.12756e-17 221 63.546 2.22428e-05 -3.28282 63.546000 Cu 0.239811 0.777378 1.79289e-17 222 63.546 0.000220352 -3.28279 63.546000 Cu 0.336181 0.746832 1.79767e-16 191 63.546 0.000267016 -3.28285 63.546000 Cu 0.445792 0.743836 8.48634e-17 194 63.546 9.40159e-05 -3.28306 63.546000 Cu 0.459215 0.771314 1 195 63.546 0.000151716 -3.283 63.546000 Cu 0.39769 0.759053 0.5 197 63.546 0.000117635 -3.28285 63.546000 Cu 0.287987 0.762085 0.5 223 63.546 0.000282547 -3.28277 63.546000 Cu 0.349495 0.774253 1 224 63.546 0.000484349 -3.28277 63.546000 Cu 0.410929 0.786487 0.5 226 63.546 0.000340329 -3.28279 63.546000 Cu 0.555421 0.74088 0 166 63.546 0.000159095 -3.28306 63.546000 Cu 0.665063 0.737849 0 169 63.546 0.000313067 -3.28289 63.546000 Cu 0.678396 0.765274 4.85275e-17 170 63.546 0.000195175 -3.28291 63.546000 Cu 0.726524 0.749968 0.5 171 63.546 4.05299e-05 -3.28273 63.546000 Cu 0.616934 0.753116 0.5 172 63.546 0.000346048 -3.28295 63.546000 Cu 0.507334 0.756103 0.5 196 63.546 2.16565e-05 -3.28309 63.546000 Cu 0.568843 0.76838 1 198 63.546 0.000402637 -3.2832 63.546000 Cu 0.630265 0.780596 0.5 200 63.546 0.000687489 -3.28328 63.546000 Cu 0.520673 0.78362 0.5 201 63.546 0.000452565 -3.28325 63.546000 Cu 0.739864 0.777366 0.5 176 63.546 0.000313425 -3.28273 63.546000 Cu 0.897695 0.759007 1 144 63.546 0.000325624 -3.28287 63.546000 Cu 0.945828 0.743806 0.5 145 63.546 0.000135375 -3.28304 63.546000 Cu 0.836193 0.746809 0.5 146 63.546 0.000312824 -3.28288 63.546000 Cu 0.95923 0.771286 0.5 150 63.546 0.000110994 -3.28284 63.546000 Cu 0.788012 0.762066 2.91643e-17 173 63.546 0.000282552 -3.28265 63.546000 Cu 0.849544 0.774218 0.5 175 63.546 0.000700851 -3.28279 63.546000 Cu 0.91097 0.786457 1.24307e-17 177 63.546 0.000420444 -3.28289 63.546000 Cu 0.801192 0.789452 2.95468e-16 174 63.546 0.00100558 -3.28261 63.546000 Cu 0.143194 0.808123 1.87656e-16 152 63.546 0.00141662 -3.28336 63.546000 Cu 0.191542 0.792727 0.5 153 63.546 0.000300106 -3.28297 63.546000 Cu 0.0820503 0.79591 0.5 154 63.546 0.00145288 -3.28341 63.546000 Cu 0.204308 0.820189 0.5 155 63.546 0.000418617 -3.28294 63.546000 Cu 0.0336481 0.811135 0 181 63.546 0.000906412 -3.28328 63.546000 Cu 0.0464774 0.83872 7.07594e-17 182 63.546 0.00247119 -3.28315 63.546000 Cu 0.0948976 0.823496 0.5 183 63.546 0.00353566 -3.28359 63.546000 Cu 0.155951 0.83571 1 185 63.546 0.00374225 -3.28338 63.546000 Cu 0.362483 0.801643 1.34108e-16 225 63.546 0.000982944 -3.28255 63.546000 Cu 0.301164 0.789483 0.5 227 63.546 0.00077263 -3.28258 63.546000 Cu 0.47233 0.798795 5.73725e-18 228 63.546 0.000239935 -3.28302 63.546000 Cu 0.423831 0.813907 0.5 231 63.546 0.000636946 -3.28261 63.546000 Cu 0.252756 0.804775 7.12375e-17 255 63.546 0.000739844 -3.28258 63.546000 Cu 0.265395 0.832162 1.67575e-16 256 63.546 0.00205339 -3.28232 63.546000 Cu 0.313936 0.816843 0.5 257 63.546 0.00192829 -3.28234 63.546000 Cu 0.375271 0.828996 4.11169e-17 258 63.546 0.00248507 -3.2822 63.546000 Cu 0.436592 0.841305 0.5 260 63.546 0.00141902 -3.28237 63.546000 Cu 0.485214 0.826298 2.25426e-16 229 63.546 0.000573455 -3.28279 63.546000 Cu 0.581984 0.795913 0 199 63.546 0.00112742 -3.28345 63.546000 Cu 0.691538 0.792723 0 202 63.546 0.000352314 -3.28301 63.546000 Cu 0.704295 0.820183 2.03911e-16 203 63.546 0.000338644 -3.28292 63.546000 Cu 0.643146 0.808121 0.5 205 63.546 0.0013436 -3.28334 63.546000 Cu 0.533603 0.811163 0.5 230 63.546 0.00106881 -3.28327 63.546000 Cu 0.594875 0.823498 0 232 63.546 0.00299921 -3.28355 63.546000 Cu 0.655952 0.835697 0.5 234 63.546 0.00299613 -3.28336 63.546000 Cu 0.546543 0.83876 0.5 235 63.546 0.00348806 -3.28316 63.546000 Cu 0.985175 0.826257 0.5 184 63.546 0.000359724 -3.28289 63.546000 Cu 0.923801 0.81388 1 178 63.546 0.000570328 -3.28273 63.546000 Cu 0.972355 0.798763 0.5 179 63.546 0.000255873 -3.28303 63.546000 Cu 0.862481 0.80162 0.5 180 63.546 0.000881572 -3.28262 63.546000 Cu 0.752707 0.804753 0.5 204 63.546 0.000829134 -3.28264 63.546000 Cu 0.81392 0.816814 1.44865e-16 206 63.546 0.00226553 -3.28236 63.546000 Cu 0.875209 0.828969 0.5 208 63.546 0.00251623 -3.2822 63.546000 Cu 0.765387 0.832154 0.5 209 63.546 0.00177526 -3.28229 63.546000 Cu 0.936572 0.841285 1 210 63.546 0.00115654 -3.28238 63.546000 Cu 0.168608 0.863369 1 186 63.546 0.00914683 -3.28316 63.546000 Cu 0.216913 0.847676 0.5 187 63.546 0.000992284 -3.28245 63.546000 Cu 0.107645 0.851164 0.5 188 63.546 0.00916484 -3.28353 63.546000 Cu 0.0593412 0.866384 1 214 63.546 0.00686544 -3.28247 63.546000 Cu 0.0722722 0.894172 1 215 63.546 0.0148743 -3.2806 63.546000 Cu 0.12051 0.878986 0.5 216 63.546 0.0254037 -3.283 63.546000 Cu 0.0108268 0.881305 0.5 217 63.546 0.00195169 -3.28175 63.546000 Cu 0.181335 0.891212 4.78104e-19 218 63.546 0.0282193 -3.28152 63.546000 Cu 0.229472 0.875196 0.5 288 63.546 0.00335 -3.28125 63.546000 Cu 0.38785 0.856296 1 259 63.546 0.00578224 -3.28158 63.546000 Cu 0.326553 0.844147 0.5 261 63.546 0.00551555 -3.28182 63.546000 Cu 0.449341 0.868684 0.5 265 63.546 0.00277479 -3.28178 63.546000 Cu 0.277908 0.859511 1 285 63.546 0.00576189 -3.28159 63.546000 Cu 0.290351 0.886781 1 286 63.546 0.0191776 -3.27992 63.546000 Cu 0.339132 0.871374 0.5 287 63.546 0.0147778 -3.28077 63.546000 Cu 0.400551 0.883519 8.67759e-17 289 63.546 0.0131016 -3.28031 63.546000 Cu 0.498015 0.853802 1.52754e-16 262 63.546 0.00099026 -3.28244 63.546000 Cu 0.607695 0.851177 2.65348e-17 233 63.546 0.00893199 -3.28356 63.546000 Cu 0.716937 0.847672 1 236 63.546 0.00110253 -3.2824 63.546000 Cu 0.72949 0.875188 1 237 63.546 0.00348657 -3.28117 63.546000 Cu 0.668691 0.863373 0.5 239 63.546 0.00888292 -3.28307 63.546000 Cu 0.510841 0.881331 0 263 63.546 0.00177333 -3.28178 63.546000 Cu 0.55943 0.866416 0.5 264 63.546 0.00773726 -3.28252 63.546000 Cu 0.620591 0.879012 1 266 63.546 0.027003 -3.28304 63.546000 Cu 0.681349 0.891223 0.5 268 63.546 0.0284562 -3.28148 63.546000 Cu 0.57227 0.894189 0.5 269 63.546 0.0146212 -3.28064 63.546000 Cu 0.997958 0.853762 0.5 212 63.546 0.000924247 -3.28245 63.546000 Cu 0.826538 0.844123 1.16896e-16 207 63.546 0.00599943 -3.28186 63.546000 Cu 0.949314 0.868658 8.7493e-17 211 63.546 0.00290944 -3.28173 63.546000 Cu 0.887859 0.856276 0.5 213 63.546 0.00556047 -3.28156 63.546000 Cu 0.777942 0.8595 0.5 238 63.546 0.00571688 -3.28157 63.546000 Cu 0.839154 0.871361 1 240 63.546 0.0145062 -3.28082 63.546000 Cu 0.900517 0.883498 0.5 242 63.546 0.0133849 -3.28034 63.546000 Cu 0.790405 0.886776 0.5 243 63.546 0.0188505 -3.28005 63.546000 Cu 0.194117 0.919389 1 219 63.546 0.0978336 -3.27669 63.546000 Cu 0.133452 0.907042 0.5 220 63.546 0.0663057 -3.28026 63.546000 Cu 0.0237481 0.908923 0.5 246 63.546 0.00356232 -3.2799 63.546000 Cu 0.0852136 0.922124 1 248 63.546 0.024266 -3.2767 63.546000 Cu 0.146453 0.935431 0.5 250 63.546 0.149283 -3.27162 63.546000 Cu 0.0367711 0.936674 0.5 251 63.546 0.00579828 -3.27805 63.546000 Cu 0.241813 0.902775 0.5 308 63.546 0.0121867 -3.27709 63.546000 Cu 0.413147 0.910666 1.48929e-16 290 63.546 0.0267157 -3.27779 63.546000 Cu 0.462086 0.89606 0.5 291 63.546 0.00482458 -3.28101 63.546000 Cu 0.351597 0.898464 0.5 292 63.546 0.0416122 -3.27911 63.546000 Cu 0.474857 0.923471 0.5 296 63.546 0.00641994 -3.2805 63.546000 Cu 0.302429 0.913918 1 309 63.546 0.0752842 -3.27519 63.546000 Cu 0.313953 0.940702 2.18254e-16 310 63.546 0.370153 -3.25369 63.546000 Cu 0.36395 0.925329 0.5 311 63.546 0.130627 -3.27685 63.546000 Cu 0.25386 0.930584 0.5 312 63.546 0.0449423 -3.26122 63.546000 Cu 0.425603 0.93781 2.369e-16 313 63.546 0.0359878 -3.27669 63.546000 Cu 0.633431 0.90706 1 267 63.546 0.0681621 -3.28039 63.546000 Cu 0.694119 0.919392 0.5 273 63.546 0.0982817 -3.27657 63.546000 Cu 0.523721 0.908939 1.69249e-16 293 63.546 0.00343242 -3.28004 63.546000 Cu 0.536775 0.936691 3.58578e-17 294 63.546 0.0063187 -3.27808 63.546000 Cu 0.585179 0.922127 0.5 295 63.546 0.0231305 -3.27662 63.546000 Cu 0.646441 0.93544 1.08769e-16 297 63.546 0.149752 -3.27167 63.546000 Cu 0.741837 0.902768 1 270 63.546 0.01204 -3.27711 63.546000 Cu 0.851633 0.898462 1 241 63.546 0.0400672 -3.27923 63.546000 Cu 0.962102 0.896032 1.29088e-16 244 63.546 0.00530902 -3.28095 63.546000 Cu 0.974866 0.923437 4.94838e-17 245 63.546 0.00751692 -3.28055 63.546000 Cu 0.913203 0.910654 0.5 247 63.546 0.0267019 -3.27798 63.546000 Cu 0.753823 0.930572 1.29088e-16 271 63.546 0.0450197 -3.26098 63.546000 Cu 0.802451 0.913916 0.5 272 63.546 0.0747857 -3.27532 63.546000 Cu 0.86396 0.92534 1.22156e-16 274 63.546 0.12469 -3.27677 63.546000 Cu 0.925582 0.937797 0.5 276 63.546 0.036764 -3.27687 63.546000 Cu 0.813893 0.940702 0.5 277 63.546 0.370886 -3.25344 63.546000 Cu 0.207419 0.948121 1 252 63.546 0.388559 -3.24626 63.546000 Cu 0.098411 0.95027 6.11973e-17 249 63.546 0.0347678 -3.27217 63.546000 Cu 0.223544 0.978506 9.34693e-17 253 63.546 4.71729 -3.22648 63.546000 Cu 0.160088 0.964203 0.5 254 63.546 0.421089 -3.25025 63.546000 Cu 0.049377 0.964546 0.5 280 63.546 0.110673 -3.27602 63.546000 Cu 0.108515 0.978449 1 282 63.546 0.345554 -3.2651 63.546000 Cu 0.160217 0.992779 0.5 283 63.546 0.41158 -3.25143 63.546000 Cu 0.0496141 0.992344 0.5 284 63.546 0.119639 -3.27609 63.546000 Cu 0.266458 0.998243 0.5 360 63.546 5.8566 -3.09706 63.546000 Cu 0.438292 0.964895 1.31479e-16 314 63.546 0.127798 -3.2793 63.546000 Cu 0.376798 0.951956 0.5 316 63.546 0.351813 -3.27374 63.546000 Cu 0.266255 0.958757 0.5 323 63.546 5.84579 -3.09766 63.546000 Cu 0.327575 0.966211 4.48701e-16 324 63.546 7.19295 -3 63.546000 Cu 0.32774 0.990824 3.4806e-16 325 63.546 7.18308 -2.9989 63.546000 Cu 0.385349 0.978512 0.5 326 63.546 3.6684 -3.1992 63.546000 Cu 0.438513 0.992109 2.53395e-17 328 63.546 0.136701 -3.27947 63.546000 Cu 0.487974 0.95093 0.5 315 63.546 0.0222402 -3.27679 63.546000 Cu 0.496284 0.978485 0.5 320 63.546 0.197446 -3.28896 63.546000 Cu 0.707359 0.948126 0.5 299 63.546 0.387875 -3.24602 63.546000 Cu 0.660031 0.964213 7.88871e-18 298 63.546 0.417407 -3.2503 63.546000 Cu 0.598397 0.950296 0.5 300 63.546 0.035372 -3.27212 63.546000 Cu 0.723515 0.978518 0.5 304 63.546 4.72375 -3.22533 63.546000 Cu 0.549392 0.964576 1 317 63.546 0.111496 -3.2759 63.546000 Cu 0.549603 0.992381 0 318 63.546 0.119252 -3.27608 63.546000 Cu 0.608518 0.978478 0.5 319 63.546 0.347389 -3.26503 63.546000 Cu 0.660228 0.992799 1.67336e-17 321 63.546 0.417303 -3.25107 63.546000 Cu 0.766425 0.998278 1.0088e-16 330 63.546 5.84655 -3.09714 63.546000 Cu 0.987953 0.950906 1 278 63.546 0.0220368 -3.27688 63.546000 Cu 0.996259 0.97846 1 279 63.546 0.195522 -3.28895 63.546000 Cu 0.876733 0.951945 1 275 63.546 0.351047 -3.27337 63.546000 Cu 0.938283 0.964879 0.5 281 63.546 0.128843 -3.27935 63.546000 Cu 0.766205 0.958755 1 301 63.546 5.84415 -3.09743 63.546000 Cu 0.827521 0.966199 0.5 303 63.546 7.18635 -2.99975 63.546000 Cu 0.885315 0.978496 4.78104e-19 305 63.546 3.68207 -3.19892 63.546000 Cu 0.938484 0.992082 0.5 306 63.546 0.134502 -3.27943 63.546000 Cu 0.827695 0.990817 0.5 307 63.546 7.18398 -2.99963