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=41.814087017152964 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