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=22.479295771041535 stress="-1.8827936703777062 0.04432990931828859 0.10389440726342022 0.04432990931828859 -2.780593044505629 -0.030242568664664706 0.10389440726342022 -0.030242568664664706 -1.859151439947003" free_energy=22.479295771041535 pbc="F T F" As 0.05473499 2.63890718 0.13661615 -22.50530384 6.63499326 -19.34488593 As 1.40480033 1.67594331 0.11041876 20.03685256 -8.92279094 -20.49064561 As 1.26735611 2.83533445 1.24148635 20.06951129 9.12401321 19.98618260 As 0.08611608 1.53369179 1.52598936 -17.60106002 -6.83621553 19.84934895