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=31816.707543659737 stress="-128697.96576665954 29620.839588144605 -14628.200962402698 29620.839588144605 -136453.84492710952 14532.743324130905 -14628.200962402698 14532.743324130905 -123716.46219898097" pbc="F F F"
Ba      -0.29035576      -0.14831965      -0.01110292  -32308.95195832  -28545.26420077  -39088.46910675 
Ba       1.48923212       1.62362568      -0.16101894   18386.90437430   36587.10864414  -44800.66066485 
Ba       1.36842910       0.13961113       1.37008342   60102.01327020  -59612.58791754   55503.68647136 
Ba      -0.20981312       1.57335007       1.41001956  -46179.96568619   51570.74347417   28385.44330024