../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner H O Zn A2B2C_oP20_19_2a_2a_a a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 standard 1 4.8837 1.0514978 1.6569404 0.63587808 0.6156624 0.78848438 0.80137444 0.083868722 0.10136925 0.85631681 0.90248311 0.073876467 0.80921027 0.64321254 0.72551966 0.94384107 0.32979735 0.62698394 Sim_LAMMPS_ReaxFF_RaymandVanDuinBaudin_2008_ZnOH__SM_449472104549_001