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=319.8766529009871 stress="-18.43473179718722 -0.5842700597783308 1.2683076776197617 -0.5842700597783308 -9.82973414192832 -2.0447340819346116 1.2683076776197617 -2.0447340819346116 -18.92774886184776" free_energy=319.8766529009871 pbc="T F T" Cl 2.88201197 0.22586561 0.29391194 33.43455664 -110.82989701 -55.77657087 Cl 1.44697821 1.52103145 2.56746321 -23.93590448 110.96736043 30.85305093 Cl 1.68220204 0.23573857 1.52724172 -57.95692237 -125.94386477 9.41322818 Cl 2.77538150 1.20296332 1.34887301 48.45827021 125.80640135 15.51029177