element:
Zr
lattice type:
bcc
modelname:
EAM_Dynamo_AcklandWoodingBacon_1995v2_Zr__MO_398441626455_000

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -12.440777
         Iterations: 30
         Function evaluations: 61
{'lattice_constant': 3.588765114545822, 'cohesive_energy': 6.22038855421151, 'element': 'Zr', 'species': 'Zr" "Zr', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 30, 'func_calls': 61, 'warnflag': 0, 'repeat': 0}