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=376.0748057733089 stress="-276.27241287317406 104.58625704486764 -289.0173322712546 104.58625704486764 -482.26011436835176 -47.91349288255279 -289.0173322712546 -47.91349288255279 -407.3072290861462" pbc="F F T" user01 0.04396501 0.07236142 0.20379337 -325.58833760 -481.26323598 -274.48399261 user01 0.98854596 0.51922180 -0.21770305 780.81170823 1170.38379240 1810.93708087 user01 0.77031036 0.18745344 0.77015752 1016.70515565 -3372.22819309 -469.74204362 user01 0.41327610 0.62871118 0.50213077 -1471.92852628 2683.10763667 -1066.71104465