../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Mo Ni AB3_oP8_59_a_be a b/a c/a z1 z2 y3 z3 standard 1 4.2292 1.1758725 1.0490164 0.34633079 0.33257991 0.99816406 0.84070552 SNAP_LiHuChen_2018_NiMo__MO_468686727341_000