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:Z:I:1:forces:R:3 energy=104.890344629 pbc="F F T" Ba 0.20210255 -0.09136166 0.28215454 56 -34.19590678 -24.32062622 -14.17437089 Ba 1.39362841 1.73573857 0.28844927 56 27.60398875 31.50873418 -9.79047465 Ba 1.27538150 -0.28509916 1.34887301 56 32.66878142 -34.28609084 10.67482553 Ba 0.47310040 1.28984966 1.48735431 56 -26.07686339 27.09798288 13.29002001