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=105929.67576466186 stress="-19788.2639535693 6817.328474892517 -3167.821229977483 6817.328474892517 -16354.519113622782 -1884.6079483562169 -3167.821229977483 -1884.6079483562169 -11224.48703011906" pbc="T F F" Rb -0.17634703 0.25724294 0.29405513 213169.98544793 -290406.73225082 -101289.95424766 Rb 1.58893814 1.42524400 0.15141262 -263608.57939696 206575.84753179 -145168.99416490 Rb 1.41452560 0.04256632 1.57856356 -29310.00907745 -45448.48779360 84568.79009335 Rb -0.09333751 1.73106259 1.36715654 79748.60302647 129279.37251263 161890.15831921