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=37.9701051407 pbc="F T F" Rb -0.16500444 -0.09481051 0.04044737 37 -7.04347047 -0.61870368 -7.22954315 Rb 1.41049160 0.99002489 0.13268308 37 7.93545640 1.04665960 -6.86095333 Rb 1.25205420 -0.01414720 1.55988540 37 6.20911731 -0.96613727 8.01916589 Rb -0.07167693 1.39045612 1.31425730 37 -7.10110325 0.53818135 6.07133060