../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Mo U AB2_tI6_139_a_e a c/a z2 standard 1 3.6017 3.0888469 0.3416131 Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000