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=27.178369379376992 stress="-2.0242202268052782 -0.5395751388648755 -0.3161546947256352 -0.5395751388648755 -3.1501558430842063 -0.09616175201855436 -0.3161546947256352 -0.09616175201855436 -2.030708561785826" free_energy=27.178369379376992 pbc="F T F" W 0.13661615 2.76616693 0.11041876 -26.44630812 -6.79183125 -24.10521435 W 1.26735611 1.39368979 0.08611608 15.91194768 3.68333613 -21.17069363 W 1.53369179 0.02598936 1.22329650 28.30389903 8.01627553 20.35238633 W 0.29874826 1.27290972 1.38090187 -17.76953859 -4.90778040 24.92352165