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=21.33222176791157 pbc="T T F" Ti -0.12320595 -0.04105180 0.20259391 22 6.06315493 -9.78799123 -22.96435196 Ti 1.56504129 1.20865944 -0.13449789 22 -9.43737840 17.33175856 -23.63667071 Ti 1.28802619 0.22277084 1.68584377 22 23.04405652 -4.59606801 24.89062451 Ti 0.18362810 1.69581920 1.64685009 22 -19.66983305 -2.94769931 21.71039816