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=375.7942254744678 stress="-276.78065358011963 104.3544994101919 -288.73917450105375 104.3544994101919 -482.3208242362772 -47.71693716803134 -288.73917450105375 -47.71693716803134 -407.4209521388366" pbc="F F T" user01 0.04396501 0.07236142 0.20379337 -327.52602322 -481.90934038 -273.37707214 user01 0.98854596 0.51922180 -0.21770305 782.37397820 1171.24371500 1809.76906030 user01 0.77031036 0.18745344 0.77015752 1016.98797661 -3372.09128483 -469.34448356 user01 0.41327610 0.62871118 0.50213077 -1471.83593159 2682.75691021 -1067.04750459