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" 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