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=104.902330868 pbc="F F T" Ba 0.20210255 -0.09136166 0.28215454 56 -34.19592059 -24.32063583 -14.17429558 Ba 1.39362841 1.73573857 0.28844927 56 27.60399679 31.50875725 -9.79040566 Ba 1.27538150 -0.28509916 1.34887301 56 32.66879227 -34.28611361 10.67467588 Ba 0.47310040 1.28984966 1.48735431 56 -26.07686847 27.09799218 13.29002536