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=41.81332239109655 stress="-50.88078642741605 -2.428964521556546 2.1091749940623004 -2.428964521556546 -35.203865877585045 -0.19415581482252264 2.1091749940623004 -0.19415581482252264 -51.649163457865725" pbc="F F F"
Ba       0.27219963      -0.06618674       0.13132919     -17.33832577     -17.37673025     -13.90481575 
Ba       1.75978669       1.22592512      -0.21495266      14.14658975      14.86373048     -16.66332398 
Ba       1.68365717       0.20288723       1.58343331      16.61024462      -9.79184320      19.72661673 
Ba      -0.20414597       1.44809454       1.72094491     -13.41850861      12.30484297      10.84152301