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=38.031680529851265 stress="-6.134670416195185 -1.2317135563529487 -0.7933924434373452 -1.2317135563529487 -7.034644388330934 0.7351254170035258 -0.7933924434373452 0.7351254170035258 -5.415894460414437" pbc="F T F" W 0.04852473 0.01848935 0.13661615 -81.66129371 -6.56993226 -67.24099032 W 1.40480033 1.28303047 0.11041876 48.16381032 19.15012557 -52.23936439 W 1.26735611 -0.16466555 1.24148635 83.85551010 6.56625600 74.31270671 W 0.08611608 1.53369179 1.52598936 -50.35802671 -19.14644931 45.16764801