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=663.6397099829471 stress="-27.39799635857947 -1.7464906696105413 1.3625334576220247 -1.7464906696105413 -46.59374149811563 -4.153589217742875 1.3625334576220247 -4.153589217742875 -24.682512504489605" free_energy=663.6397099829471 pbc="F T F" Rb 0.28249982 0.17472188 0.28371557 -216.31169506 -13.37264858 -319.59815648 Rb 1.67579706 1.56194251 0.25977495 289.99019527 -69.77003205 -252.32671270 Rb 1.27557324 2.57555553 1.50337063 263.23725340 134.06578232 363.29642164 Rb 0.06200107 1.52032030 1.32523561 -336.91575361 -50.92310170 208.62844753