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=11.604289679750424 pbc="F T T" Ti -0.06254558 -0.22153142 -0.00548572 22 -16.43661208 2.56712096 3.29744103 Ti 1.34126820 1.34140700 -0.18331863 22 15.57996624 -2.67685357 6.08040567 Ti 1.41986395 -0.25603453 1.59073906 22 15.97820710 3.21561477 -4.40689319 Ti 0.27219963 1.43381326 1.63132919 22 -15.12156127 -3.10588216 -4.97095350