16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=17.7108688462027 stress="-0.0006872392030113128 -6.289317197704416e-05 -0.00010333527061885504 -6.289317197704416e-05 -0.0008027465060283166 -5.9274417071119566e-05 -0.00010333527061885504 -5.9274417071119566e-05 -0.0008053626015526603" free_energy=17.7108688462027 pbc="F F F" F 20.93203322 20.75213077 20.73125112 -0.58352978 -1.12734604 -1.08009921 F 22.10260825 22.63616082 22.26429260 1.18585240 -4.93066646 0.81973070 F 24.36078906 21.21980528 21.29977655 -1.86688239 -4.58591688 -3.16377700 F 25.68543805 22.45276964 22.58611212 5.67091309 0.27318192 1.55266916 F 21.19989723 24.12961200 20.87425859 -3.73470592 1.60603839 -5.58810808 F 22.65720406 25.26564846 22.38507600 0.29788476 7.62633181 -2.69064440 F 24.49839795 23.81131727 20.86065667 -0.38895486 1.04057825 -4.95876266 F 25.67089611 25.47011124 22.34941126 2.48807604 2.91951077 -0.28717985 F 20.71755886 20.85541431 23.98859492 -0.96434738 -0.96333619 0.55193621 F 22.76235339 22.30544521 25.71005355 -2.09457658 0.46266777 3.04788485 F 24.21211731 20.94968690 24.29594673 -0.20487132 -4.23439604 -0.78941857 F 25.65710459 22.76602835 25.35687199 2.61586679 -0.91511306 2.61427022 F 20.97664413 24.24122900 23.73523006 -5.72961870 -0.36882701 2.43173934 F 22.31634348 25.42534241 25.48566276 0.18745456 2.23089138 3.00533411 F 23.81443107 24.04376171 23.72051529 2.06004838 -1.70940184 3.05131405 F 25.69273990 25.30722932 25.26172667 1.06139092 2.67580325 1.48311114