Model name? Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_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_cF240_202_h2i" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 14.9028, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.54695135, 0.26622863, 0.59565647, 0.79644753, 0.57883118, 0.67452263, 0.34523288, 0.048719901 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_424537021663_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 1.7040094555840566 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 14:21:20 -415.596041 1.813024 LBFGSLineSearch: 1 14:21:52 -416.433338 1.068913 LBFGSLineSearch: 2 14:22:02 -418.474965 0.122207 LBFGSLineSearch: 3 14:22:32 -418.477592 0.034729 LBFGSLineSearch: 4 14:22:48 -418.477827 0.007763 LBFGSLineSearch: 5 14:23:06 -418.477839 0.004591 LBFGSLineSearch: 6 14:23:33 -418.477852 0.005124 LBFGSLineSearch: 7 14:24:08 -418.477867 0.001457 LBFGSLineSearch: 8 14:24:12 -418.477869 0.000663 LBFGSLineSearch: 9 14:24:14 -418.477869 0.000126 LBFGSLineSearch: 10 14:24:18 -418.477869 0.000121 LBFGSLineSearch: 11 14:24:21 -418.477869 0.000050 LBFGSLineSearch: 12 14:24:28 -418.477869 0.000000