../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_mP12_6_2a2b2c_2a2b a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 z5 x6 z6 x7 z7 x8 z8 x9 y9 z9 x10 y10 z10 standard 1 5.3728 1.0527472 0.92179124 108.6416 0.77475755 0.70971543 0.51267053 0.15052198 0.77393292 0.041369096 0.48716754 0.47040168 0.30313307 0.099947193 0.7862093 0.64365811 0.97245935 0.98791849 0.46239171 0.45649034 0.35724704 0.24558958 0.54383764 0.89788197 0.73755617 0.1401012 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000