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=-13.472225883617593 stress="-0.28445562403623714 -0.16662209305452935 0.1427506687442053 -0.16662209305452935 -0.2315342967919996 -0.06450874408338649 0.1427506687442053 -0.06450874408338649 -0.2570362151114598" free_energy=-13.472225883617593 pbc="T F T" C 2.88825682 0.19178619 0.17895518 1.86442996 -3.27212623 -2.92795666 C 1.76708413 1.61455359 0.03253581 0.33109768 2.05586938 -1.01741856 C 1.64904689 0.10609294 1.40349439 -5.35441991 -1.60618281 1.04333703 C 2.80598025 1.32157598 1.51361598 3.15889227 2.82243966 2.90203819