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=-2.485397243323407 pbc="F F T" Ti -0.22238644 0.18220204 -0.10637159 22 -13.77854059 -10.32371457 7.88184603 Ti 1.73573857 1.52724172 -0.22461850 22 6.49154147 7.60609543 2.95154954 Ti 1.20296332 -0.15112699 1.72083292 22 12.57584060 -12.23552970 -8.80923089 Ti -0.21015034 1.48735431 1.42299150 22 -5.28884147 14.95314883 -2.02416468