../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C O AB2_tP12_92_a_b a c/a x1 x2 y2 z2 standard 2 5.1644 1.4289559 0.49132064 0.17038813 0.15143763 0.25406626 5.179 1.4901332 0.49144467 0.16922066 0.15163767 0.25258432 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003