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=23.864804268705978 stress="-89.69704935727611 8.012697936570808 3.0007212683552993 8.012697936570808 -75.65245494741286 2.420395579277411 3.0007212683552993 2.420395579277411 -88.7088476576495" pbc="F F F" W 0.23171545 0.18190327 -0.17816502 -24.22826862 -22.42018949 -30.70346583 W 1.71219253 1.42485375 0.12990665 31.28050372 29.15389536 -24.50735355 W 1.28220450 0.28278197 1.56210000 37.17233538 -45.12967686 33.69155631 W 0.13362859 1.32702941 1.57034430 -44.22457048 38.39597099 21.51926307