64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-71.28012996024844 stress="-8.079409676676889e-06 -3.06243286583534e-06 -7.290376072421552e-05 -3.06243286583534e-06 -4.011766523211351e-05 3.37425151226863e-05 -7.290376072421552e-05 3.37425151226863e-05 -2.814050849770364e-05" free_energy=-71.28012996024844 pbc="F F F" Cu 35.19308306 34.92705849 34.70436655 -1.05025126 -2.03941865 -1.25734054 Cu 35.85449068 36.29676508 35.54016779 0.56230170 0.90556155 1.33838015 Cu 37.73534249 36.68124900 34.96195168 2.79978718 0.62861977 1.15026165 Cu 38.60630552 38.82806262 36.32105454 2.11647182 -2.38364649 -2.12969281 Cu 38.12903827 35.01325459 37.06739826 0.15860306 0.97348855 -1.11494669 Cu 39.58212018 36.27726272 38.53047871 -0.90450540 -1.90824178 -3.74078634 Cu 34.85553860 37.12458691 37.20567456 0.24968099 1.73070372 0.33746033 Cu 36.07736200 38.52405171 39.01574532 -0.21768198 0.01564458 -1.08147669 Cu 40.43167485 34.80014156 35.92143299 -0.38177487 -2.39436770 1.67207945 Cu 40.77624372 36.46308230 35.64148716 0.03835805 3.85673854 1.14069871 Cu 42.48145800 38.11160016 34.84158565 -1.80982997 -0.95644545 -3.41703290 Cu 43.06501159 38.34838588 36.28238171 0.90134570 0.29344242 4.90494409 Cu 42.99028470 35.34013519 37.53091681 -4.21491411 -3.54005076 -4.15152377 Cu 43.68145323 36.31152306 38.26128550 2.35335177 4.82096198 2.14455242 Cu 40.01663005 37.87628871 37.94685693 0.45616530 2.25755054 -1.61065829 Cu 41.09808270 39.62063611 39.03658750 2.57533106 -0.34409503 0.95699856 Cu 35.12793321 39.81339034 35.37346232 -2.88432449 -5.02537035 -0.80521076 Cu 35.90999668 40.93522116 35.80556638 3.23699682 5.38854860 1.95844940 Cu 37.43746173 42.98532094 35.17721863 -2.25850762 -1.33100086 0.07348364 Cu 38.97072919 43.96374270 35.83068643 0.87508533 0.98455591 -0.03276939 Cu 37.48690878 39.84169582 37.11133502 -2.29557909 1.36801931 2.26476651 Cu 38.59867470 40.80181361 39.07025101 -2.36090294 3.01620598 -2.16699970 Cu 35.22675371 42.85015244 37.35885029 0.89244550 -0.73449573 -0.40643816 Cu 36.90806766 43.89405067 38.62686494 1.69405157 1.25395162 -2.17252056 Cu 40.20001680 40.50829613 35.50706709 -3.69337010 -2.38818879 -3.07869127 Cu 41.16769245 41.03292570 36.49321425 0.81948700 5.84390009 -0.05673650 Cu 42.40945883 42.84317993 34.89680784 -1.31939087 -1.16573278 -1.04769366 Cu 43.19662973 43.36938827 36.50256714 0.09292851 -0.54486848 2.15913217 Cu 42.14956136 40.49685027 37.53823641 4.00164183 -2.38221787 1.03196680 Cu 43.35017965 41.24303602 39.12685386 -0.13522398 0.21496015 0.66660375 Cu 39.54590751 42.89525894 37.54506684 -1.24978404 -1.83625108 0.54898986 Cu 40.88682156 43.51430026 38.99963225 -2.07687161 2.07313516 -0.95145958 Cu 34.84766534 34.88914394 40.16993467 0.66520783 0.80528343 0.90602784 Cu 36.23995997 36.65942634 41.51938099 3.29990712 -0.81052257 -2.32900294 Cu 37.85564770 37.26883187 39.51530835 0.58496098 1.03993312 2.15554396 Cu 39.17032358 38.95618254 41.38208278 -1.68069861 0.92036210 2.86232055 Cu 37.44633704 34.84783946 42.11395178 0.08790609 -0.38689715 -0.39105386 Cu 38.20664414 36.37734428 43.63855051 -1.24028896 1.26207063 -0.15172523 Cu 34.84897734 37.19289684 42.25358562 -2.62572715 1.22575443 1.54056146 Cu 36.32134693 38.62460282 43.83949290 0.64122797 -1.66283917 -0.73415108 Cu 39.97724989 35.45683445 39.93224913 -3.63428083 -2.96001655 -0.95890123 Cu 40.87318784 35.78801347 40.95835245 3.01976811 3.32659520 3.54165191 Cu 41.98428810 37.94980146 40.78315642 -4.30924728 -0.50651410 -2.13798421 Cu 43.16607984 38.54351312 41.66177341 2.76683933 0.61033587 2.91266264 Cu 42.00056665 34.58038615 41.77789391 1.78065593 -0.80408146 1.77999142 Cu 43.41847990 36.53501052 44.00108204 -1.37446409 0.89125723 -1.53491704 Cu 39.54922158 37.46135882 42.10296040 1.86630979 -2.75446661 1.09943317 Cu 41.60239068 38.76240128 43.70234021 -1.48717324 -5.89718253 0.55688338 Cu 34.64294486 40.27923994 39.54339417 1.61194020 1.14296881 0.85863406 Cu 36.47271639 40.77688392 41.72212270 -5.97230537 4.60887453 -3.73023755 Cu 36.57303516 42.61836560 39.92458714 0.55606863 -3.28801507 1.97050282 Cu 39.02479808 43.44067933 41.65822129 -9.18229740 7.27294050 -5.80590646 Cu 37.40028003 40.11586036 42.43980610 4.49904887 -5.23554415 2.56135376 Cu 38.03161742 41.94122860 43.22817784 -1.85078209 2.19758143 0.86632222 Cu 35.15574767 42.49242277 43.15426696 0.12574268 -1.59941568 -0.82812799 Cu 36.18761338 44.11510480 43.52625464 1.44606784 0.18361390 0.17024485 Cu 39.53706234 39.59193573 40.02469746 0.74764286 -0.21394565 -1.44570225 Cu 41.43520417 41.14311133 41.66595197 -1.48238637 0.31027730 -3.57181933 Cu 42.00524193 42.86552680 39.96490785 1.64074013 -2.26989702 2.09067800 Cu 43.26038773 43.85817946 41.37882103 -0.45646322 0.10705447 1.49424779 Cu 42.08137826 40.08772683 43.15229640 0.76930571 -0.03042081 -0.92599255 Cu 42.84277231 41.46092282 43.64567341 0.91054472 4.41357239 0.81984765 Cu 39.67717606 42.72355317 42.02737440 10.20122110 -7.21652299 4.27686365 Cu 41.45181805 43.81013070 43.45352564 1.10388785 -1.33379051 -1.04503933