16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=19.1059936578 stress="0.05042238609055529 0.020018273964437863 -0.002287916796215691 0.020018273964437863 -0.009071450726666179 0.021566552735494123 -0.002287916796215691 0.021566552735494123 0.05262129323006702" pbc="F F F" Ti 0.23171545 0.18272929 0.06807595 0.26205981 -0.10789078 0.14396450 Ti 1.85521655 1.42485375 1.62990665 0.47192765 -1.64058945 -0.24614528 Ti 2.78220450 0.28278197 0.06210000 -0.21037723 0.38138085 1.03978932 Ti 4.48861752 1.32702941 1.68077289 -0.89219254 -0.66344106 0.08524422 Ti 0.04852473 3.05473499 0.12508192 0.26153095 0.61393899 0.15417890 Ti 1.63661615 4.40480033 1.37719504 0.37571429 -0.67865261 -0.27754863 Ti 2.79869006 3.11041876 -0.17983676 -0.25659457 0.77782757 0.30332014 Ti 4.33533445 4.15482519 1.43267099 -0.56511510 -0.18871444 -0.25390560 Ti 0.03369179 0.02598936 2.72329650 0.69971645 0.26439460 0.10874890 Ti 1.33616671 1.40583543 4.25559716 -0.45082366 -0.30834776 -1.11911751 Ti 2.70178472 0.29874826 2.59521816 -0.00414580 0.65217094 -0.37377132 Ti 4.38090187 1.36136659 4.55835534 0.44448539 -0.52180881 0.25845213 Ti -0.25354363 2.98193431 2.92001865 -0.06854639 0.39182783 0.49254920 Ti 1.61119363 4.20342959 4.12371586 -0.14189442 -0.28419749 -0.45374613 Ti 2.99793547 3.28187239 3.01001192 0.27120465 1.15989047 0.21186546 Ti 4.48453339 4.54028193 4.37793365 -0.19694949 0.15221116 -0.07387830