../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner F A_aP4_2_2i a b/a c/a alpha beta gamma x1 y1 z1 x2 y2 z2 standard 1 5.9073 0.47844193 0.6244985 92.253 92.7931 92.2862 0.19841985 0.27356656 0.40537481 0.69799033 0.23396354 0.90309638 Sim_LAMMPS_ReaxFF_SinghSrinivasanNeekAmal_2013_CFH__SM_306840588959_000