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=18.996293248522672 stress="-13.560583661648728 0.2859937393193508 -0.110772345138626 0.2859937393193508 -11.952879427171784 0.22583261884228456 -0.110772345138626 0.22583261884228456 -11.817900449018033" pbc="F F F" Rb 0.26959405 0.17626233 -0.14597521 -3.68803510 -4.03143427 -5.44511598 Rb 1.70996341 1.49207130 0.15300231 5.06505349 4.70265953 -3.07124549 Rb 1.53848316 -0.04225341 1.41852158 3.69217760 -4.59877814 4.54833757 Rb -0.04210664 1.38825682 1.27041603 -5.06919599 3.92755287 3.96802389