Model name? Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? [ { "prototype-label": { "source-value": "A_hP12_194_bc2f" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 2.4678, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 13.950077, 0.86916696, 0.13083843 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_067110567700_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 0.004658809312423254 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:16:20 -58.159087 5.760837 LBFGSLineSearch: 1 16:16:21 -63.142932 1.730955 LBFGSLineSearch: 2 16:16:21 -63.637529 0.756698 LBFGSLineSearch: 3 16:16:22 -63.763322 0.060730 LBFGSLineSearch: 4 16:16:23 -63.764306 0.036929 LBFGSLineSearch: 5 16:16:24 -63.792219 0.493874 The minimization failed to converge. See kim-tools.log for more info