element=lattice type=modelname=W diamond EAM_Dynamo_Zhou_Johnson_W__MO_524392058194_004 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 * 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 3.5 Angstroms Attempting to perform relaxation using initial lattice constant guess of 4.0 Angstroms Optimization terminated successfully. Current function value: -10.514846 Iterations: 32 Function evaluations: 66 {'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': 5.257422928305747, 'space_group': 'Fd-3m', 'element': 'W', 'lattice_constant': 6.012282252311712, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 32, 'warnflag': 0, 'species': 'W" "W" "W" "W" "W" "W" "W" "W', 'func_calls': 66}