../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ga A_mC2_12_a a b/a c/a beta standard 1 4.0582 1.0145385 0.73249224 132.5951 Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004