../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Ca O A2B3C6_cP33_221_cd_ag_fh a x4 x5 x6 standard 1 7.6615 0.76726461 0.29201108 0.23745209 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003