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=45.77336300121746 stress="-5.747471456747993 0.5178952549725014 0.41550224649575346 0.5178952549725014 -3.8031532120283713 -0.012794158390181295 0.41550224649575346 -0.012794158390181295 -3.508413470398537" free_energy=45.77336300121746 pbc="T F F" Si 0.04396501 0.07236142 0.20379337 11.71449172 -45.86992907 -38.19455122 Si 1.73854596 1.26922180 0.02031036 -0.95494527 35.20322245 -40.28116907 Si 1.68745344 0.02015752 1.37970777 -0.89469718 -34.31395767 39.71897640 Si 0.41327610 1.37871118 1.25213077 -9.86484927 44.98066429 38.75674390