element=lattice type=modelname=Es fcc LennardJones612_UniversalShifted__MO_959249795837_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -5.170181 Iterations: 31 Function evaluations: 62 {'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 5.170181030907612, 'space_group': 'Fm-3m', 'element': 'Es', 'lattice_constant': 4.5383704006671906, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 31, 'warnflag': 0, 'species': 'Es" "Es" "Es" "Es', 'func_calls': 62}