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:Z:I:1:forces:R:3 energy=67.2612267233 pbc="T T F" Rb 0.08407602 0.33863628 0.44854923 37 -0.83706232 -2.66340881 -10.24655790 Rb 1.45717459 1.35402479 0.31605635 37 0.76577127 2.15487903 -11.75347697 Rb 1.45811127 0.16661829 1.53848316 37 0.66236776 -1.95660637 11.37524814 Rb 0.02104585 1.41852158 1.45789336 37 -0.59107670 2.46513616 10.62478673