Model name? Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_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_cI16_229_f" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 4.8764, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.16261302 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_279555491360_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 1.2496011837831604 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:16:18 -45.328688 2.164373 LBFGSLineSearch: 1 16:16:21 -45.505812 1.334496 LBFGSLineSearch: 2 16:16:23 -45.979093 0.314971 LBFGSLineSearch: 3 16:16:24 -45.982301 0.055845 LBFGSLineSearch: 4 16:16:26 -45.982406 0.000425 LBFGSLineSearch: 5 16:16:27 -45.982406 0.000015 LBFGSLineSearch: 6 16:16:29 -45.982406 0.000001