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=43.79469765438616 stress="-0.6832788546815793 0.010585245804396237 -0.02274042624977634 0.010585245804396237 -2.2159135650176585 0.014643148628356152 -0.02274042624977634 0.014643148628356152 -0.7632930700625318" free_energy=43.79469765438616 pbc="F T F" Rb 0.08611608 -0.04628956 0.02598936 -7.36136448 -1.38662334 -8.68293889 Rb 1.22329650 1.16718395 0.29874826 7.72998537 2.28446200 -7.54246676 Rb 1.27290972 0.16277425 1.36136659 7.94357845 -2.39476454 7.93835702 Rb 0.05835534 1.25646829 1.48193431 -8.31219934 1.49692588 8.28704864