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=-1.6936503926260493 pbc="F F T" Ti 0.13362859 -0.17297059 0.07034430 22 -17.40957962 -13.31029185 -7.94408709 Ti 1.54852473 1.55473499 -0.08438932 22 11.31447881 14.13882258 -3.00356363 Ti 1.63661615 -0.09519967 1.37719504 22 17.01326698 -10.27385608 6.15424215 Ti -0.20130994 1.61041876 1.26735611 22 -10.91816617 9.44532536 4.79340857