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=51.65005789726816 stress="-2.57176528372753 0.005644357866227151 -0.018598596944742665 0.005644357866227151 -2.6024962933917397 -0.00953203573800774 -0.018598596944742665 -0.00953203573800774 -2.623266807378933" free_energy=51.65005789726816 pbc="T T T" Rb -0.14459490 0.11115480 0.11044915 1.19044041 -1.33475830 -0.19872981 Rb 1.70960170 1.31143450 -0.16166483 -1.70573647 1.43789600 0.29057725 Rb 1.28829595 0.03769167 1.64041416 -0.66040187 -1.00539359 -0.48183901 Rb -0.22187219 1.51878885 1.32834452 1.17569793 0.90225589 0.38999157