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=-1.3030075021009035 stress="0.1030445508459626 0.0014927659935684424 0.0033316871122862366 0.0014927659935684424 0.0987371901074968 -0.0012477594106438466 0.0033316871122862366 -0.0012477594106438466 0.10044264696195421" pbc="T T T" user20 -0.16202247 -0.02109304 0.14504253 -0.11766040 0.22946913 0.35272459 user20 1.47866904 1.38906169 0.03453432 0.20400011 -0.35433757 0.34647288 user20 1.35485178 0.29277658 1.43698121 0.10590342 0.49288484 -0.30585044 user20 -0.18349129 1.39685840 1.29557651 -0.19224313 -0.36801640 -0.39334703