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=924.8560685963753 stress="-59.62367851419632 4.542478795144288 -0.10080538030200557 4.542478795144288 -34.177790814683846 -0.29160389745588716 -0.10080538030200557 -0.29160389745588716 -51.76185954177005" free_energy=924.8560685963753 pbc="T F T" Rb 2.66227444 0.28408043 2.83007149 178.08471545 -439.43732347 172.63167125 Rb 1.76358038 1.44890741 0.02706169 -145.10451173 417.04106342 166.66365699 Rb 1.37874550 0.27601316 1.79471456 -70.70574913 -335.31584750 -184.65927358 Rb 0.11921949 1.49822622 1.77052452 37.72554541 357.71210756 -154.63605466