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=757073.3481835909 stress="-68426.4883159578 11527.93320558165 -12878.866763230793 11527.93320558165 -137572.05745866618 -85861.31668678975 -12878.866763230793 -85861.31668678975 -132003.33411419592" pbc="F F T" Ac 0.28187239 0.01001192 -0.01546661 -416522.04813579 -336517.39585409 234061.46416854 Ac 1.60170120 1.37793365 -0.28095614 666035.10918197 2523933.69576376 2516636.71840026 Ac 1.55363315 0.24624097 1.64302402 748520.83939238 -2855376.57003672 -2343632.31887842 Ac 0.26531642 1.41192869 1.51943933 -998033.90043856 667960.27012704 -407065.86369038