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=60.8563528846919 stress="-2.925527004179767 -0.012656472763195053 -0.0070070993391592624 -0.012656472763195053 -2.885633480812467 0.02797110513998278 -0.0070070993391592624 0.02797110513998278 -1.0992990424922617" free_energy=60.8563528846919 pbc="T T F" Rb 0.21804360 -0.29134056 0.22277084 0.35924599 1.84118515 -10.49717387 Rb 1.68584377 1.68362810 0.19581920 -0.63657975 -1.21874196 -11.00010376 Rb 1.68533325 0.22734064 1.67626233 -0.97716510 0.01086106 11.39088572 Rb -0.14597521 1.62848498 1.49207130 1.25449886 -0.63330425 10.10639192