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=41.57261124149252 stress="-6.286232788670473 -1.2339699778172304 -0.7803968834237265 -1.2339699778172304 -7.288814413639961 0.7357618250603518 -0.7803968834237265 0.7357618250603518 -5.572948526001205" pbc="F T F" W 0.04852473 0.01848935 0.13661615 -83.36850243 -6.64703488 -68.97257738 W 1.40480033 1.28303047 0.11041876 49.76011033 19.25061334 -53.81906244 W 1.26735611 -0.16466555 1.24148635 85.48345367 6.50319798 75.72406264 W 0.08611608 1.53369179 1.52598936 -51.87506156 -19.10677644 47.06757718