element: user01 lattice type: fcc modelname: TIDP_RajanWarnerCurtin_2016F_User01__MO_246297839798_001 Detected that energy at a lattice constant of 2.5 Angstroms was equal to the isolated energy (i.e. no interactions). Shrinking box until energy becomes non-trivial... Attempting to perform relaxation using initial lattice constant guess of 1.25 Angstroms Optimization terminated successfully. Current function value: -24.000000 Iterations: 26 Function evaluations: 52 {'lattice_constant': 1.4142135605216026, 'cohesive_energy': 6.0, 'element': 'user01', 'species': 'user01" "user01" "user01" "user01', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'iterations': 26, 'func_calls': 52, 'warnflag': 0, 'repeat': 0}