../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ge A_cF136_227_aeg a x2 x3 z3 standard 2 15.6125 0.76090371 0.43391562 0.12783839 15.4152 0.21692638 0.56748263 0.37042266 SNAP_ZuoChenLi_2019_Ge__MO_183216355174_000