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=118.744978561 pbc="F T T" Sr -0.25271761 0.22817528 0.06304267 38 -40.08043692 -9.42540597 -11.16161787 Sr 1.70070203 1.20342959 -0.09914834 38 38.67082623 12.39119819 -3.96863327 Sr 1.49793547 0.13686132 1.36514043 38 32.31245732 -14.23468570 4.47039745 Sr 0.03734053 1.51504004 1.22448856 38 -30.90284663 11.26889348 10.65985368