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=148.09898633659438 stress="-3.965988056345919 -0.23218161077705624 0.2707061864988163 -0.23218161077705624 -8.43561093915408 0.12134103814160034 0.2707061864988163 0.12134103814160034 -8.2908858227936" free_energy=148.09898633659438 pbc="F T T"
Ba       0.22094491       0.30205975       0.23042800     -35.38391017      -2.33952920      -4.55050252
Ba       1.32183498       1.71219253      -0.07514625      34.02860544      -8.13053878       4.49932578
Ba       1.62990665      -0.21779550       1.78278197      44.54325224      10.76845147      -7.81614295
Ba       0.06210000       1.68836358       1.32702941     -43.18794751      -0.29838349       7.86731969