element: Cr lattice type: diamond modelname: EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 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 Exception message: Calling "compute" failed. Attempting to perform relaxation using initial lattice constant guess of 3.0 Angstroms Optimization terminated successfully. Current function value: -22.328475 Iterations: 32 Function evaluations: 66 {'lattice_constant': 5.622897130250937, 'cohesive_energy': 2.791059376766759, 'element': 'Cr', 'species': 'Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr', 'crystal_structure': 'diamond', 'space_group': 'Fd-3m', 'wyckoff_code': '8a', '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]]', 'iterations': 32, 'func_calls': 66, 'warnflag': 0, 'repeat': 0}