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=-3.708104892046305 pbc="T F F" Ti 0.11455359 0.03253581 0.14904689 22 -3.27936335 -8.42571408 -10.12909329 Ti 1.28091226 1.60609294 -0.03396003 22 2.12721001 8.27689836 -7.70259133 Ti 1.30598025 -0.17842402 1.51361598 22 2.50986222 -8.02271288 8.77747395 Ti -0.14801295 1.47567541 1.56329927 22 -1.35770887 8.17152861 9.05421067