element:
Sn
lattice type:
bcc
modelname:
MEAM_LAMMPS_KimJeonLee_2015_MgSn__MO_935641703527_001

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

Optimization terminated successfully.
         Current function value: -6.160002
         Iterations: 30
         Function evaluations: 61
{'lattice_constant': 3.8504841327667236, 'cohesive_energy': 3.0800011638330846, 'element': 'Sn', 'species': 'Sn" "Sn', '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}