../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cl O AB2_oP24_61_c_2c a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 standard 1 5.6911 1.9208237 1.2473863 0.17104973 0.60893478 0.49084799 0.093089431 0.70628311 0.35935761 0.20684345 0.48461288 0.40496888 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003