element=lattice type=modelname=Ta bcc 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: -16.180000 Iterations: 29 Function evaluations: 58 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 8.090000000626643, 'space_group': 'Im-3m', 'element': 'Ta', 'lattice_constant': 3.303000010550022, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 29, 'warnflag': 0, 'species': 'Ta" "Ta', 'func_calls': 58}