../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ga A_mC4_15_e a b/a c/a beta y1 standard 1 2.7913 2.9000466 1.53656 129.558 0.88421875 Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004