../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C O AB_hR16_161_ab_ab a c/a x1 x2 x3 y3 z3 x4 y4 z4 standard 1 10.112216 1.3658646 0.040482743 0.95775785 0.039673472 0.53457745 0.2536623 0.92025972 0.44527309 0.26211337 Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001