element:
Pt
lattice type:
bcc
modelname:
MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_002

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

Optimization terminated successfully.
         Current function value: -10.988311
         Iterations: 28
         Function evaluations: 58
{'lattice_constant': 3.087457835674286, 'cohesive_energy': 5.494155741701434, 'element': 'Pt', 'species': 'Pt" "Pt', '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': 28, 'func_calls': 58, 'warnflag': 0, 'repeat': 0}