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=147.3457211240771 stress="-3.965714630537147 -0.23210582037391006 0.2707206248756633 -0.23210582037391006 -8.408843871779625 0.12092798790459962 0.2707206248756633 0.12092798790459962 -8.263226519671159" free_energy=147.3457211240771 pbc="F T T"
Ba       0.22094491       0.30205975       0.23042800     -35.38139523      -2.33728123      -4.54945763
Ba       1.32183498       1.71219253      -0.07514625      34.02639917      -8.13194240       4.49990511
Ba       1.62990665      -0.21779550       1.78278197      44.54006136      10.76804630      -7.81696296
Ba       0.06210000       1.68836358       1.32702941     -43.18506531      -0.29882267       7.86651548