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=43.846985667376885 stress="-0.6832817163241848 0.010585862806208999 -0.0227406209649151 0.010585862806208999 -2.2178714527037506 0.014651163623853046 -0.0227406209649151 0.014651163623853046 -0.7632964641558244" free_energy=43.846985667376885 pbc="F T F" Rb 0.08611608 -0.04628956 0.02598936 -7.36139666 -1.38627109 -8.68298276 Rb 1.22329650 1.16718395 0.29874826 7.73001706 2.28418677 -7.54249337 Rb 1.27290972 0.16277425 1.36136659 7.94361241 -2.39452232 7.93838787 Rb 0.05835534 1.25646829 1.48193431 -8.31223281 1.49660664 8.28708827