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=54.790901194951765 stress="-58.75682863328952 0.4427125917456367 -0.5467636341113504 0.4427125917456367 -53.24167364066562 0.09643310381056125 -0.5467636341113504 0.09643310381056125 -52.96968883182609" pbc="F F F" Ba 0.26959405 0.17626233 -0.14597521 -16.29186999 -18.60911617 -24.74267586 Ba 1.70996341 1.49207130 0.15300231 22.24617034 21.03349214 -13.38221764 Ba 1.53848316 -0.04225341 1.41852158 15.72714634 -19.92572006 20.05938255 Ba -0.04210664 1.38825682 1.27041603 -21.68144669 17.50134409 18.06551096