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=87.59381847642277 stress="-253.6097654960338 17.984476778275944 1.8795025204022693 17.984476778275944 -215.04015436529284 6.227676437544233 1.8795025204022693 6.227676437544233 -253.72116832660163" pbc="F F F" W 0.23171545 0.18190327 -0.17816502 -72.51411261 -65.46646123 -90.15080847 W 1.71219253 1.42485375 0.12990665 88.72651480 84.51389250 -67.27391440 W 1.28220450 0.28278197 1.56210000 105.05354434 -126.22035554 98.52137926 W 0.13362859 1.32702941 1.57034430 -121.26594653 107.17292426 58.90334361