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=-0.5892994595144995 stress="0.021411639383142146 -0.010956549860401272 0.010239917498629254 -0.010956549860401272 -0.0903781195322748 0.010544130716569478 0.010239917498629254 0.010544130716569478 -0.0024085636484850567" free_energy=-0.5892994595144995 pbc="F F T" H 0.21813893 0.19410236 -0.16903503 0.00822842 -1.22023320 0.17314700 H 1.27564038 1.43300593 -0.27997518 -0.24127603 1.13989112 -0.31118407 H 1.27696427 0.22586561 1.79391194 -0.32539632 -0.89464663 0.04633165 H 0.25677002 1.27761356 1.68220204 0.55844393 0.97498870 0.09170542