element=lattice type=modelname=Pa 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: -9.309259 Iterations: 31 Function evaluations: 63 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 9.3092594181906, 'space_group': 'Im-3m', 'element': 'Pa', 'lattice_constant': 4.402739696204662, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 31, 'warnflag': 0, 'species': 'Pa" "Pa', 'func_calls': 63}