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=63662.97255866591 pbc="F T T" Rb -0.15959244 0.11605702 0.19594252 37 -31336.26315759 -86603.09945262 -106422.50913386 Rb 1.56007237 1.56319636 0.15792873 37 25876.57840894 -57262.05447189 -93781.34618362 Rb 1.56592854 -0.05259147 1.36017890 37 29394.63244178 57964.79251136 94531.75703064 Rb -0.12106467 1.43940525 1.42178450 37 -23934.94769313 85900.36141315 105672.09828684