element=lattice type=modelname=Xe diamond EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Failed to perform relaxation using initial lattice constant guess of 2.5 Angstroms Attempting to perform relaxation using initial lattice constant guess of 3.0 Angstroms Failed to perform relaxation using initial lattice constant guess of 3.0 Angstroms Attempting to perform relaxation using initial lattice constant guess of 3.5 Angstroms Failed to perform relaxation using initial lattice constant guess of 3.5 Angstroms Attempting to perform relaxation using initial lattice constant guess of 4.0 Angstroms Optimization terminated successfully. Current function value: 0.082510 Iterations: 34 Function evaluations: 69 {'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'repeat': 0, 'cohesive_energy': -0.010313722332835236, 'space_group': 'Fd-3m', 'element': 'Xe', 'lattice_constant': 10.85325431823732, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 34, 'warnflag': 0, 'species': 'Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe', 'func_calls': 69}