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=56.70009942030271 stress="-2.7567072391728535 0.005691142178457475 -0.018564582955285815 0.005691142178457475 -2.7879652054595585 -0.009748288297235083 -0.018564582955285815 -0.009748288297235083 -2.8081188715283187" free_energy=56.70009942030271 pbc="T T T" Rb -0.14459490 0.11115480 0.11044915 1.19028384 -1.33247287 -0.19820416 Rb 1.70960170 1.31143450 -0.16166483 -1.70461737 1.43749258 0.29112232 Rb 1.28829595 0.03769167 1.64041416 -0.66042121 -1.00676998 -0.48263349 Rb -0.22187219 1.51878885 1.32834452 1.17475475 0.90175028 0.38971534