4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=16.416635520493017 stress="-1.087976025950776 -0.17756357985156632 0.2194761969321911 -0.17756357985156632 -2.3181984455485645 0.28119209806267836 0.2194761969321911 0.28119209806267836 -2.187631843226831" pbc="F T T" Mg 0.22094491 0.30205975 0.18190327 -9.91075467 -3.20585569 -1.86873709 Mg 1.32183498 1.71219253 -0.07514625 8.84189936 -7.97235870 7.63982707 Mg 1.62990665 -0.21779550 1.78278197 12.63623659 9.78852180 -9.72899003 Mg 0.06210000 1.68215332 1.32702941 -11.56738127 1.38969259 3.95790005