element=lattice type=modelname=Ta sc Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -7.939595 Iterations: 26 Function evaluations: 53 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 7.939594729993699, 'space_group': 'Pm-3m', 'element': 'Ta', 'lattice_constant': 2.740509942173958, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 26, 'warnflag': 0, 'species': 'Ta', 'func_calls': 53}