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=729.1824848096098 stress="-115.30372859576761 59.818989504388234 -19.721177988637162 59.818989504388234 -122.02459490053592 -19.71782209372587 -19.721177988637162 -19.71782209372587 -90.02284425538393" free_energy=729.1824848096098 pbc="T F F" Ar 0.15839933 0.09073906 0.27219963 -376.07229228 -1111.08175315 -1434.05168882 Ar 1.43381326 1.63132919 0.25978669 345.11630954 293.40637247 -423.20578140 Ar 1.22592512 0.18365717 1.70288723 1963.77195947 -1669.89524886 947.53093141 Ar 0.08343331 1.29585403 1.44809454 -1932.81597673 2487.57062953 909.72653881