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=3.941291536271893 pbc="F T F" Ti 0.19410236 -0.16903503 -0.11798803 22 -16.52786421 -6.00795837 -7.24784374 Ti 1.43300593 1.22002482 -0.22303573 22 17.60689075 5.29120772 -9.22615578 Ti 1.41661558 -0.03487808 1.72586561 22 21.81916734 -13.42751592 9.47467870 Ti 0.29391194 1.22614529 1.52103145 22 -22.89819388 14.14426658 6.99932082