element=lattice type=modelname=C diamond Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: 0.000000 Iterations: 37 Function evaluations: 103 {'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': -0.0, 'space_group': 'Fd-3m', 'element': 'C', 'lattice_constant': 18.375, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 37, 'warnflag': 0, 'species': 'C" "C" "C" "C" "C" "C" "C" "C', 'func_calls': 103}