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=104.998179894 pbc="F F T" Ba 0.20210255 -0.09136166 0.28215454 56 -34.19604616 -24.32078723 -14.17315569 Ba 1.39362841 1.73573857 0.28844927 56 27.60411140 31.50896520 -9.78929835 Ba 1.27538150 -0.28509916 1.34887301 56 32.66887998 -34.28629567 10.67379557 Ba 0.47310040 1.28984966 1.48735431 56 -26.07694522 27.09811770 13.28865848