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:forces:R:3 energy=40.65567853537582 stress="-2.062586054166975 0.0015567901025773502 -0.007016746169178085 0.0015567901025773502 -0.7533830794119177 0.0723082598492473 -0.007016746169178085 0.0723082598492473 -0.7383049678030913" free_energy=40.65567853537582 pbc="T F F" Rb 0.21545919 0.09073906 0.27219963 -1.25211855 -8.18764044 -7.98813972 Rb 1.25564823 1.63132919 0.25978669 1.47394408 8.25996958 -7.09737408 Rb 1.22592512 0.18365717 1.70288723 1.83910945 -6.92618429 8.27008000 Rb 0.08343331 1.29585403 1.44809454 -2.06093499 6.85385515 6.81543380