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=35.214798377152576 stress="-3.3162239168102228 0.1483717146629967 0.020776084824521805 0.1483717146629967 -2.4960922950155404 -0.012942330728819229 0.020776084824521805 -0.012942330728819229 -2.3921322908016553" free_energy=35.214798377152576 pbc="T F F" Ar -0.14801295 0.06329927 0.09073906 14.03148750 -30.26279381 -22.80705267 Ar 1.77219963 1.43381326 0.13132919 -16.75201721 26.32645723 -21.21947273 Ar 1.75978669 0.18365717 1.70288723 -14.02596634 -23.79251775 22.32884957 Ar 0.08343331 1.29585403 1.44809454 16.74649605 27.72885433 21.69767583