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=77522.97860384847 stress="-274091.4158181404 -98566.35981828785 -19853.96781033653 -98566.35981828785 -408305.6933435168 15434.175220567777 -19853.96781033653 15434.175220567777 -258450.8838829231" pbc="F F F"
Ba       0.28116528      -0.13455920       0.01915291 -164634.75416163 -200073.54788867  -77746.11178077 
Ba       1.22823889       1.50551392      -0.19662019  129217.16768837  187300.94491198  -77067.12057568 
Ba       1.60951103      -0.19264862       1.53880278  108746.73612670  -54336.21931172   75783.41841836 
Ba       0.18215988       1.32519057       1.62180897  -73329.14965344   67108.82228841   79029.81393808