element=lattice type=modelname=Lr 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: -7.062753 Iterations: 28 Function evaluations: 56 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 7.062752730171431, 'space_group': 'Pm-3m', 'element': 'Lr', 'lattice_constant': 3.065350964665413, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 28, 'warnflag': 0, 'species': 'Lr', 'func_calls': 56}