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=43.80053672594816 stress="-0.6832790802074085 0.010585501088542669 -0.022740437760610993 0.010585501088542669 -2.216145867985314 0.014643442348049263 -0.022740437760610993 0.014643442348049263 -0.763293336611908" free_energy=43.80053672594816 pbc="F T F" Rb 0.08611608 -0.04628956 0.02598936 -7.36136693 -1.38662759 -8.68294234 Rb 1.22329650 1.16718395 0.29874826 7.72998785 2.28447586 -7.54246884 Rb 1.27290972 0.16277425 1.36136659 7.94358114 -2.39478341 7.93835934 Rb 0.05835534 1.25646829 1.48193431 -8.31220206 1.49693514 8.28705184