4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=0.5642087781236019 stress="-0.10644440270944565 -0.021606098629278224 0.006330609634422578 -0.021606098629278224 -0.2391705405874198 0.02918435296996523 0.006330609634422578 0.02918435296996523 -0.0951575997429206" pbc="F T F" Ar 0.05473499 -0.08438932 0.13661615 -0.47593611 -0.01327809 -0.34011882 Ar 0.65480033 0.35049154 0.11041876 0.33923622 0.20370341 -0.28429513 Ar 0.51735611 -0.16466555 0.49148635 0.35107171 -0.10049860 0.30060998 Ar 0.08611608 0.78369179 0.77598936 -0.21437182 -0.08992672 0.32380397