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=40.6615174616575 stress="-2.0628203832567875 0.0015564685383442592 -0.007017053089063624 0.0015564685383442592 -0.7533833823896633 0.07230830879990015 -0.007017053089063624 0.07230830879990015 -0.7383052573587959" free_energy=40.6615174616575 pbc="T F F" Rb 0.21545919 0.09073906 0.27219963 -1.25213543 -8.18764378 -7.98814273 Rb 1.25564823 1.63132919 0.25978669 1.47395689 8.25997344 -7.09737692 Rb 1.22592512 0.18365717 1.70288723 1.83912381 -6.92618686 8.27008358 Rb 0.08343331 1.29585403 1.44809454 -2.06094527 6.85385720 6.81543606