../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Ni A4B3_cI112_230_af_g a x2 y3 standard 1 11.3441 0.74197065 0.3690198 MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_002