element=lattice type=modelname=Ra bcc LennardJones612_UniversalShifted__MO_959249795837_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -13.611493 Iterations: 34 Function evaluations: 69 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 13.611492524141822, 'space_group': 'Im-3m', 'element': 'Ra', 'lattice_constant': 4.8650311678647995, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 34, 'warnflag': 0, 'species': 'Ra" "Ra', 'func_calls': 69}