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=64.74010946976095 stress="-6.394463274339527 0.18676124114971485 -0.08584623439333183 0.18676124114971485 -4.72680165682217 0.9858121822149071 -0.08584623439333183 0.9858121822149071 -4.514162472581337" pbc="T F F" Rb 0.08343331 0.22094491 0.23171545 -28.90531763 -35.33039732 -44.11982713 Rb 1.50893269 1.32183498 0.21219253 20.15092712 70.33930460 -59.50948187 Rb 1.42485375 0.12990665 1.28220450 27.20827073 -67.82616160 69.88337644 Rb 0.28278197 1.56210000 1.63362859 -18.45388021 32.81725431 33.74593256