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=15.763091599408256 stress="-12.687510062417012 -0.08292916712621223 1.2263455633628393 -0.08292916712621223 -8.470498809760455 -0.37081302439668384 1.2263455633628393 -0.37081302439668384 -12.819389174289169" pbc="F F F" Rb 0.27219963 -0.06618674 0.13132919 -3.88135958 -4.10660921 -3.37065175 Rb 1.75978669 1.22592512 -0.21495266 3.53481241 3.35143335 -4.17715540 Rb 1.68365717 0.20288723 1.58343331 4.02279503 -2.40644532 4.54650239 Rb -0.20414597 1.44809454 1.72094491 -3.67624785 3.16162119 3.00130476