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=50.66326152158751 stress="-2.5349678873696857 0.005537314338294299 -0.018667437462603544 0.005537314338294299 -2.565754819343781 -0.009553920869857659 -0.018667437462603544 -0.009553920869857659 -2.5865567192983114" pbc="T T T" Rb -0.14459490 0.11115480 0.11044915 1.19035448 -1.33468714 -0.19878426 Rb 1.70960170 1.31143450 -0.16166483 -1.70584896 1.43789976 0.29061000 Rb 1.28829595 0.03769167 1.64041416 -0.66014694 -1.00531187 -0.48191236 Rb -0.22187219 1.51878885 1.32834452 1.17564141 0.90209926 0.39008661