element=lattice type=modelname=Cu diamond EAM_Dynamo_Foiles_Baskes_Universal3_Cu__MO_666348409573_003 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms * Error: at line 626 in EAM_Implementation.hpp Message: Particle has density value outside of embedding function interpolation domain KIM_STATUS_MSG: unsuccessful completion Failed to perform relaxation using initial lattice constant guess of 2.5 Angstroms Attempting to perform relaxation using initial lattice constant guess of 3.0 Angstroms * Error: at line 626 in EAM_Implementation.hpp Message: Particle has density value outside of embedding function interpolation domain KIM_STATUS_MSG: unsuccessful completion Failed to perform relaxation using initial lattice constant guess of 3.0 Angstroms Attempting to perform relaxation using initial lattice constant guess of 3.5 Angstroms Optimization terminated successfully. Current function value: -4.927013 Iterations: 31 Function evaluations: 65 {'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': 2.4635066082004595, 'space_group': 'Fd-3m', 'element': 'Cu', 'lattice_constant': 5.343343424797059, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 31, 'warnflag': 0, 'species': 'Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu', 'func_calls': 65}