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=54.01606230457491 stress="-57.55664087450498 0.08654225867040655 0.8115381631033394 0.08654225867040655 -51.333140981715346 0.08196747420293349 0.8115381631033394 0.08196747420293349 -54.643782926599094" pbc="F F F"
Ba      -0.14801295      -0.02432459       0.06329927     -21.86978751     -16.25480584     -20.07504496 
Ba       1.43745442       1.27846858      -0.00548572      17.95396095      19.28444547     -18.07362111 
Ba       1.34126820      -0.15859300       1.31668137      20.27954223     -21.42652854      17.76706762 
Ba      -0.08013605       1.24396547       1.59073906     -16.36371567      18.39688891      20.38159846