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=147.229697597163 stress="-3.965692439230226 -0.23210895080327087 0.27072159237037063 -0.23210895080327087 -8.404436060884844 0.12091855042716765 0.27072159237037063 0.12091855042716765 -8.258916170689766" free_energy=147.229697597163 pbc="F T T"
Ba       0.22094491       0.30205975       0.23042800     -35.38120619      -2.33735497      -4.54980622
Ba       1.32183498       1.71219253      -0.07514625      34.02625704      -8.13215567       4.50021731
Ba       1.62990665      -0.21779550       1.78278197      44.53977425      10.76827905      -7.81719515
Ba       0.06210000       1.68836358       1.32702941     -43.18482509      -0.29876841       7.86678406