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=39.213323836 pbc="F F T" Rb 0.20210255 -0.09136166 0.28215454 37 -7.46016639 -6.30397856 -1.97412426 Rb 1.39362841 1.73573857 0.28844927 37 6.21429909 8.23285124 -1.45157291 Rb 1.27538150 -0.28509916 1.34887301 37 6.67569314 -8.38341644 1.47756249 Rb 0.47310040 1.28984966 1.45167428 37 -5.42982584 6.45454377 1.94813468