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=-6.945654989449483 stress="-0.13820072634712366 0.009759181162245646 -0.08848212783214732 0.009759181162245646 -0.22856484855984774 0.04158018506610467 -0.08848212783214732 0.04158018506610467 -0.06109594529349762" free_energy=-6.945654989449483 pbc="F T F" Fe 0.10260142 0.18947213 0.13185401 -2.77503270 -0.27324987 -1.19486149 H 1.47839446 1.33058461 0.13802703 0.62538670 1.39593572 -0.41614800 Fe 1.68407183 0.06109240 1.20032005 1.80079257 -1.39230104 1.88409963 O 0.16886747 1.54810421 1.45353077 0.34885342 0.26961519 -0.27309014