Model name? Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_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_oC4_63_c" }, "stoichiometric-species": { "source-value": [ "Ga" ] }, "a": { "source-value": 2.7854, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 2.9018453, 1.1948374, 0.13408348 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_086875703202_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 5.033217990114265 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 17:18:02 -4.833410 8.482687 LBFGSLineSearch: 1 17:18:02 -5.487683 1.038181 LBFGSLineSearch: 2 17:18:02 -5.562026 0.481343 LBFGSLineSearch: 3 17:18:02 -5.565234 0.236710 LBFGSLineSearch: 4 17:18:02 -5.571279 0.152910 LBFGSLineSearch: 5 17:18:02 -5.571867 0.186409 LBFGSLineSearch: 6 17:18:02 -5.572800 0.163017 LBFGSLineSearch: 7 17:18:02 -5.575237 0.197312 LBFGSLineSearch: 8 17:18:02 -5.577516 0.211613 LBFGSLineSearch: 9 17:18:02 -5.578493 0.086420 LBFGSLineSearch: 10 17:18:03 -5.578822 0.020782 LBFGSLineSearch: 11 17:18:03 -5.578828 0.010026 LBFGSLineSearch: 12 17:18:03 -5.578829 0.000742 LBFGSLineSearch: 13 17:18:03 -5.578829 0.000094 LBFGSLineSearch: 14 17:18:03 -5.578829 0.000001