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=41.78734655143769 stress="-0.8634551851707051 0.025515397730477018 0.005403433765014941 0.025515397730477018 -0.7980597491648689 -0.013227357892449719 0.005403433765014941 -0.013227357892449719 -2.152702719028593" free_energy=41.78734655143769 pbc="F F T" Cs 0.10170120 0.00082602 0.24624097 -7.77703161 -7.70403528 -1.06168716 Cs 1.64302402 1.35498893 0.11042859 7.58311559 6.84416674 -1.20723327 Cs 1.70947124 0.05280714 1.41333883 7.47142102 -7.25835582 1.02546267 Cs 0.15488783 1.55988540 1.20245745 -7.27750500 8.11822436 1.24345776