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=66.650222915 pbc="T T F" Rb 0.08407602 0.33863628 0.44854923 37 -0.83724210 -2.66412033 -10.24591540 Rb 1.45717459 1.35402479 0.31605635 37 0.76612593 2.15587947 -11.75266405 Rb 1.45811127 0.16661829 1.53848316 37 0.66267463 -1.95731710 11.37446882 Rb 0.02104585 1.41852158 1.45789336 37 -0.59155847 2.46555795 10.62411063