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=-1.484053823216127 stress="0.06571547727523547 -0.09030113725440655 0.05369684620052882 -0.09030113725440655 0.10278700811631188 -0.05420721719472771 0.05369684620052882 -0.05420721719472771 0.06164922867695315" free_energy=-1.484053823216127 pbc="T F T" O -0.28776729 0.17379638 -0.09588942 -1.44554883 1.85179917 -1.33675314 O 1.45742157 1.37252202 0.03320948 1.22005348 -1.16173334 1.03751031 O 1.44057204 0.20040666 1.55646809 -0.43437957 0.23839878 0.15500594 O 0.03502127 1.66980798 1.48611905 0.65987491 -0.92846461 0.14423688