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=578.6022776496092 stress="-24.27361370169877 -0.010193925649010414 -0.8205647886794949 -0.010193925649010414 -23.471502761466066 0.5265815390747133 -0.8205647886794949 0.5265815390747133 -41.964661654036874" free_energy=578.6022776496092 pbc="F F T" Rb 0.26267262 0.12802009 2.88189668 -268.18707679 -224.85142751 111.63565465 Rb 1.69660728 1.26789895 2.74544399 282.09484817 216.01904217 71.65055640 Rb 1.20776815 0.03366861 1.48771144 208.62549291 -259.04864740 -105.20837839 Rb 0.02131086 1.48329879 1.72650889 -222.53326429 267.88103274 -78.07783266