32 Lattice="58.67510795593262 0.0 0.0 0.0 58.67510795593262 0.0 0.0 0.0 58.67510795593262" Properties=species:S:1:pos:R:3:forces:R:3 energy=80.50317760421332 stress="0.00019813067458125083 -9.498614073957952e-06 2.4119266533968115e-05 -9.498614073957952e-06 0.00020281026730510312 1.4906461830462086e-05 2.4119266533968115e-05 1.4906461830462086e-05 0.00019681838334242714" free_energy=80.50317760421332 pbc="F F F" Nb 29.09041197 29.25493036 29.33583354 1.94866156 1.92762081 2.22817139 Nb 31.66798720 31.44143682 29.21988063 -2.60459140 1.25225623 0.94293475 Nb 31.51784455 29.23583202 31.19896343 -2.91425936 0.81969283 2.09291789 Nb 29.33824232 31.63829436 31.68328362 1.72872640 -0.33431698 -0.82799489 Nb 33.40779056 29.42957780 29.51211334 0.74532020 -1.53614141 -1.84355725 Nb 35.30815349 31.47709949 29.26533634 1.37353266 -1.36692975 -0.18194237 Nb 35.49630178 29.23123094 31.28501725 -0.22891387 1.32075309 0.93401410 Nb 33.45404278 31.20214705 31.38191082 -0.26267803 2.36684194 2.96285410 Nb 29.13093248 33.65770631 29.38745848 1.14812139 -1.39308308 0.54538884 Nb 31.18514142 35.76109837 29.18276839 1.47181371 -1.43675664 1.34520249 Nb 31.32769076 33.80401784 31.33514076 1.19176201 -2.07708407 -0.24925856 Nb 29.23227178 35.59165330 31.25158778 0.52783771 -0.57191738 1.50318799 Nb 33.71041556 33.33460036 29.49930594 -3.55832137 3.47518551 -1.31533571 Nb 35.48331016 35.52584933 29.28172558 -1.40379580 -1.17414854 1.48534742 Nb 35.39086004 33.34277001 31.36360653 0.82076124 1.22301767 2.91765014 Nb 33.49956805 35.81239403 31.67802017 -0.19319357 -2.25429525 -0.71524661 Nb 29.10934172 29.35508018 33.34331108 2.20430453 1.63102048 -0.46470984 Nb 31.58492858 31.34445055 33.72508193 -2.69536314 -0.38284111 -1.77693719 Nb 31.33967553 29.15037189 35.37664212 -0.32939974 1.39877979 -1.11196634 Nb 29.21161482 31.61712098 35.44904740 1.46400190 -0.53947502 -1.67801488 Nb 33.51809504 29.41579365 33.42621220 0.58548513 -1.82261358 0.03327520 Nb 35.77506527 31.28997123 33.63782044 -0.79918107 0.62534698 -0.87234991 Nb 35.70746643 29.30706293 35.63412062 -0.59788881 0.52078023 -1.15672010 Nb 33.73885602 31.16799257 35.54032212 -0.39681336 1.05239606 1.00316977 Nb 29.39785516 33.69846093 33.72742141 -1.89740012 -3.10136613 -2.84348131 Nb 31.24077838 35.44275348 33.54555841 3.52289183 2.90806010 -1.97626688 Nb 31.58930475 33.54543105 35.52392916 0.77028055 -1.02857677 2.53670335 Nb 29.56848338 35.52309867 35.41761500 -0.59012202 0.65443440 1.90307320 Nb 33.30467572 33.29383605 33.64210047 3.47656007 2.08990301 -1.05967851 Nb 35.42774986 35.73224117 33.71180418 -1.16241804 -1.57000450 -0.86050254 Nb 35.87398648 33.68316483 35.58634721 -2.47596272 -0.81290094 -1.65491399 Nb 33.58969926 35.79075371 35.73218268 -0.86975847 -1.86363797 -1.84501377