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=42.68570317848648 stress="-2.456712165501942 0.06175834195041425 -0.15230533128555224 0.06175834195041425 -2.585416576304412 -0.35951480411498643 -0.15230533128555224 -0.35951480411498643 -3.6062569205414716" free_energy=42.68570317848648 pbc="F F T" Li 0.27397124 0.07279947 0.12838944 -19.97925438 -24.40568418 1.65787244 Li 1.60754510 1.74591058 2.75907597 18.49422379 24.90425673 9.12175496 Li 1.58720832 0.12214205 1.76483007 31.38097424 -26.25969757 -6.18513419 Li 0.25867950 1.21538875 1.55340896 -29.89594364 25.76112502 -4.59449320