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=35.213589208697556 stress="-3.3161824603861016 0.14836739855967687 0.02077148717015173 0.14836739855967687 -2.496091857219522 -0.012942606534173883 0.02077148717015173 -0.012942606534173883 -2.3921318334040063" pbc="T F F" Ar -0.14801295 0.06329927 0.09073906 14.03142770 -30.26279844 -22.80706018 Ar 1.77219963 1.43381326 0.13132919 -16.75205827 26.32645945 -21.21945486 Ar 1.75978669 0.18365717 1.70288723 -14.02600994 -23.79250172 22.32885341 Ar 0.08343331 1.29585403 1.44809454 16.74664052 27.72884071 21.69766163