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=21.68520057813331 stress="-2.924292293303901 -0.014175539401036892 0.09367402904859742 -0.014175539401036892 -3.8943575183595724 -0.44049433844296854 0.09367402904859742 -0.44049433844296854 -3.6763099274234645" free_energy=21.68520057813331 pbc="F T T" W 0.13362859 2.82702941 0.15646038 -24.42003264 0.96345906 -2.96536374 W 1.54852473 1.55473499 2.63890718 26.75871789 -2.83514023 -2.53644011 W 1.63661615 2.86855469 1.28303047 26.89089314 2.90762520 0.77794411 W 0.11041876 1.56610437 1.10824416 -29.22957839 -1.03594403 4.72385974