../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Ti A2B_mP12_14_2e_e a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 standard 1 6.4475 0.76966266 0.79196588 131.3381 0.067313924 0.67126273 0.71991331 0.44497439 0.24200099 0.96871002 0.27644306 0.95369266 0.070423732 MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002