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=35.82840661730731 stress="-2.6176439496563364 0.009929735819712834 0.20635013137315442 0.009929735819712834 -2.986875239609416 -0.2014339408321138 0.20635013137315442 -0.2014339408321138 -3.347341145842918" pbc="F F T" Rb 0.10170120 0.00082602 0.24624097 -21.76414202 -29.98634519 -17.23114883 Rb 1.64302402 1.35498893 0.11042859 26.81831040 25.92502639 -22.39142947 Rb 1.70947124 0.05280714 1.41333883 19.04659915 -26.01529447 17.26094347 Rb 0.15488783 1.55988540 1.20245745 -24.10076752 30.07661327 22.36163483