../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C A_cF240_202_h2i a y1 z1 x2 y2 z2 x3 y3 z3 standard 1 14.9028 0.54695135 0.26622863 0.59565647 0.79644753 0.57883118 0.67452263 0.34523288 0.048719901 Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001