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=15.832963558454722 stress="-12.444700329549352 0.6307259260055237 0.49089880053821666 0.6307259260055237 -10.630043402242734 0.4819529572979322 0.49089880053821666 0.4819529572979322 -11.096474710934327" pbc="F F F" Rb -0.14459490 0.11115480 0.11044915 -3.89163175 -3.68933024 -4.05244091 Rb 1.70960170 1.31143450 -0.16166483 4.16289294 2.59575755 -3.28072793 Rb 1.28829595 -0.16490224 1.64041416 3.11549155 -3.54878526 4.07828968 Rb -0.22187219 1.51878885 1.32834452 -3.38675274 4.64235796 3.25487916