element:
Mg
lattice type:
sc
modelname:
EAM_Dynamo_LiuOhotnickyAdams_1997_AlMg__MO_559870613549_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 "kim_model.compute" failed.



Attempting to perform relaxation using initial lattice constant guess of 3.0 Angstroms

Optimization terminated successfully.
         Current function value: -1.269143
         Iterations: 25
         Function evaluations: 51
{'lattice_constant': 2.9139402866363517, 'cohesive_energy': 1.2691426833904742, 'element': 'Mg', 'species': 'Mg', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 25, 'func_calls': 51, 'warnflag': 0, 'repeat': 0}