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=29.631113478932257 stress="-4.678219509635172 -1.2067184045293873 -0.08492918171304714 -1.2067184045293873 -4.9465627266516 0.44075837745653396 -0.08492918171304714 0.44075837745653396 -3.34975334046061" free_energy=29.631113478932257 pbc="F T F" Si 0.04852473 0.35348325 0.13661615 -68.72646258 -26.08870472 -37.55925980 Si 1.40480033 1.15010476 0.11041876 57.73731092 36.91957370 -35.03917458 Si 1.26735611 2.83533445 1.24148635 40.28913018 -14.46325077 39.86217154 Si 0.08611608 1.53369179 1.52598936 -29.29997852 3.63238179 32.73626284