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=40.82105229122632 stress="-2.827109180050863 -0.4955754940633554 -0.20610671058871755 -0.4955754940633554 -3.938344116065531 0.28054676295633235 -0.20610671058871755 0.28054676295633235 -2.578164487037906" free_energy=40.82105229122632 pbc="F T F" Ar 0.04852473 0.01848935 0.13661615 -36.14073225 -3.02871013 -30.58236792 Ar 1.40480033 1.28303047 0.11041876 24.21815571 7.82127211 -25.66890747 Ar 1.26735611 -0.16466555 1.24148635 36.43397406 2.49982782 32.39344411 Ar 0.08611608 1.53369179 1.52598936 -24.51139752 -7.29238981 23.85783128