element:
Ti
lattice type:
fcc
modelname:
EAM_Dynamo_MendelevUnderwoodAckland_2016pset2_Ti__MO_938747375043_000

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -20.778941
         Iterations: 34
         Function evaluations: 71
{'lattice_constant': 4.213256806135178, 'cohesive_energy': 5.1947352345930575, 'element': 'Ti', 'species': 'Ti" "Ti" "Ti" "Ti', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'iterations': 34, 'func_calls': 71, 'warnflag': 0, 'repeat': 0}