element:
Pd
lattice type:
bcc
modelname:
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_001

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

Optimization terminated successfully.
         Current function value: -7.481085
         Iterations: 28
         Function evaluations: 57
{'lattice_constant': 3.0438504815101624, 'cohesive_energy': 3.7405424919562096, 'element': 'Pd', 'species': 'Pd" "Pd', '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': 57, 'warnflag': 0, 'repeat': 0}