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=97.66520601787107 stress="-7.800071576136376 0.7912355862429179 -0.9797525361621603 0.7912355862429179 -7.814236802113159 -0.7002792900983508 -0.9797525361621603 -0.7002792900983508 -8.311616677525034" pbc="T T T" Rb -0.14459490 0.11115480 0.11044915 33.72375134 -49.90656590 -17.07915724 Rb 1.70960170 1.31143450 0.04092907 -57.66782834 40.93267445 -22.80571234 Rb 1.35333724 0.05786860 1.64041416 -9.95727945 -21.91330079 -3.22978731 Rb -0.22187219 1.37281364 1.32834452 33.90135645 30.88719224 43.11465689