../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ge A_oI4_74_e a b/a c/a z1 standard 1 5.1963 0.99289879 0.54889056 0.13235996 SNAP_ZuoChenLi_2019quadratic_Ge__MO_766484508139_000