element=lattice type=modelname=Ge bcc EDIP_BOP_Belko_Gusakov_Dorozhkin_Ge__MO_129433059219_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -7.184902 Iterations: 29 Function evaluations: 58 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 7.184901975347249, 'space_group': 'Im-3m', 'element': 'Ge', 'lattice_constant': 3.60625122487545, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 29, 'warnflag': 0, 'species': 'Ge" "Ge', 'func_calls': 58}