Model name? Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004 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_tP28_136_f2ij" }, "stoichiometric-species": { "source-value": [ "Fe" ] }, "a": { "source-value": 9.1302, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.52295678, 0.40120284, 0.47392804, 0.13606103, 0.75454574, 0.045896927, 0.20358403, 0.25196735 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_708949686947_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 0.5316865265745155 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 23:21:25 -110.386434 1.894417 LBFGSLineSearch: 1 23:21:28 -112.084242 1.320980 LBFGSLineSearch: 2 23:21:29 -112.926004 1.391205 LBFGSLineSearch: 3 23:21:32 -113.581302 0.949601 LBFGSLineSearch: 4 23:21:33 -114.309648 0.548309 LBFGSLineSearch: 5 23:21:35 -114.484868 0.388767 LBFGSLineSearch: 6 23:21:37 -114.545655 0.369482 LBFGSLineSearch: 7 23:21:38 -114.631520 0.296163 LBFGSLineSearch: 8 23:21:38 -114.707191 0.143562 LBFGSLineSearch: 9 23:21:39 -114.721455 0.100189 LBFGSLineSearch: 10 23:21:40 -114.733055 0.174102 LBFGSLineSearch: 11 23:21:40 -114.747634 0.118219 LBFGSLineSearch: 12 23:21:42 -114.779259 0.141594 LBFGSLineSearch: 13 23:21:43 -114.790102 0.051832 LBFGSLineSearch: 14 23:21:44 -114.790949 0.054393 LBFGSLineSearch: 15 23:21:45 -114.791305 0.049114 LBFGSLineSearch: 16 23:21:46 -114.791616 0.042090 LBFGSLineSearch: 17 23:21:47 -114.792052 0.041404 LBFGSLineSearch: 18 23:21:47 -114.792899 0.027193 LBFGSLineSearch: 19 23:21:49 -114.793301 0.025047 LBFGSLineSearch: 20 23:21:50 -114.793794 0.005679 LBFGSLineSearch: 21 23:21:50 -114.793816 0.000188 LBFGSLineSearch: 22 23:21:51 -114.793816 0.000010