element=lattice type=modelname=Al sc EAM_Dynamo_PurjaPun_Mishin_NiAl__MO_751354403791_004 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -2.961407 Iterations: 26 Function evaluations: 53 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 2.961407019804616, 'space_group': 'Pm-3m', 'element': 'Al', 'lattice_constant': 2.740674912929535, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 26, 'warnflag': 0, 'species': 'Al', 'func_calls': 53}