element=lattice type=modelname=Ru sc LennardJones612_UniversalShifted__MO_959249795837_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -10.741793 Iterations: 27 Function evaluations: 54 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 10.74179285648407, 'space_group': 'Pm-3m', 'element': 'Ru', 'lattice_constant': 2.77975844591856, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 27, 'warnflag': 0, 'species': 'Ru', 'func_calls': 54}