../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ga A_oC8_64_f a b/a c/a y1 z1 standard 1 4.5397 1.6992092 1.0032161 0.84397269 0.081681897 Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004