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=-6.38606667635 pbc="F T T" Ti 0.18770782 -0.24440284 -0.29821528 22 -4.32745289 -1.91566979 2.09924757 Ti 1.79874826 1.27290972 -0.10908621 22 6.43860858 1.17599974 -0.30522563 Ti 1.36136659 0.04288874 1.34815757 22 5.14663706 1.18480345 -2.77382230 Ti -0.01723967 1.27500758 1.55583054 22 -7.25779286 -0.44513311 0.97979979