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=477.28053763061797 stress="-30.802013588694606 -3.5804773177105798 4.043932280144744 -3.5804773177105798 -34.700734271823364 -3.40557240501444 4.043932280144744 -3.40557240501444 -39.58268386108301" free_energy=477.28053763061797 pbc="T T T" P 2.60704314 0.11042859 0.20947124 207.13718419 -49.06677590 -263.93150320 P 1.51001633 1.61269254 2.91333883 -95.45991391 -81.64254459 -68.97117722 P 1.51086573 2.68666965 1.32230844 -191.85840866 32.14977779 211.24274089 P 2.89893225 1.22286420 1.43858073 80.18113837 98.55954269 121.65993952