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=730680.1587078254 stress="-113915.66229302384 58743.38865940791 11198.321397110578 58743.38865940791 -134487.6475925018 7479.50509101744 11198.321397110578 7479.50509101744 -77990.3047155209" pbc="T T F"
Ba       0.10212729       0.02513780       0.03214723 -417088.90301734 -276059.88809373 -650731.15807412 
Ba       1.65616096       1.27227265       0.12865554  237758.77884766 1002859.89390421 -938972.22917544 
Ba       1.31391078       0.11010780       1.26740512 1889912.75696107 -2600786.83198503  861876.82030150 
Ba       0.27799716       1.24846459       1.58707358 -1710582.63279139 1873986.82617455  727826.56694806