element:
Sn
lattice type:
fcc
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: -12.320000
         Iterations: 32
         Function evaluations: 66
{'lattice_constant': 4.864894658327103, 'cohesive_energy': 3.0799999999307945, 'element': 'Sn', 'species': 'Sn" "Sn" "Sn" "Sn', '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': 32, 'func_calls': 66, 'warnflag': 0, 'repeat': 0}