element:
Pt
lattice type:
fcc
modelname:
QUIP_GAP_Xu_2003_Pt__MO_370837021112_000

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

Optimization terminated successfully.
         Current function value: -2.321602
         Iterations: 30
         Function evaluations: 65
{'lattice_constant': 3.942211627960205, 'cohesive_energy': 0.5804004094011708, 'element': 'Pt', 'species': 'Pt" "Pt" "Pt" "Pt', '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': 30, 'func_calls': 65, 'warnflag': 0, 'repeat': 0}