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=415465.12869512406 stress="-2121644.6836787756 249064.37420571863 1047502.2507994702 249064.37420571863 -1220769.3623707418 -83334.48942164343 1047502.2507994702 -83334.48942164343 -1666017.6901388366" pbc="F F F"
Ba       0.06110210       0.30499403       0.03687848 -335742.70027423 -361763.77916853 -218310.43106146 
Ba       1.52706169       1.38081222       0.27601316 1543376.21351809  231373.55525391 -1345218.46872139 
Ba       1.57033202       0.11921949       1.49822622   86184.33701471 -473574.19552281  459372.37963711 
Ba       0.27052452       1.76845020       1.22910373 -1293817.85025857  603964.41943743 1104156.52014574