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_mC4_15_e" }, "stoichiometric-species": { "source-value": [ "Ga" ] }, "a": { "source-value": 2.7913, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 2.9000466, 1.53656, 129.558, 0.88421875 ] }, "library-prototype-label": { "source-value": "A_mC4_15_e-001" }, "short-name": { "source-value": "beta-Ga (obsolete)" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_525912051999_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 5.069648187754167 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 17:13:55 -4.856006 8.684881 LBFGSLineSearch: 1 17:13:55 -5.549982 0.490997 LBFGSLineSearch: 2 17:13:55 -5.554733 0.372876 LBFGSLineSearch: 3 17:13:55 -5.566772 0.316093 LBFGSLineSearch: 4 17:13:55 -5.567831 0.279339 LBFGSLineSearch: 5 17:13:56 -5.569879 0.203485 LBFGSLineSearch: 6 17:13:56 -5.573813 0.166366 LBFGSLineSearch: 7 17:13:56 -5.575305 0.261575 LBFGSLineSearch: 8 17:13:56 -5.577064 0.110664 LBFGSLineSearch: 9 17:13:56 -5.578390 0.159847 LBFGSLineSearch: 10 17:13:56 -5.578806 0.039475 LBFGSLineSearch: 11 17:13:56 -5.578828 0.005991 LBFGSLineSearch: 12 17:13:56 -5.578829 0.001942 LBFGSLineSearch: 13 17:13:56 -5.578829 0.000398 LBFGSLineSearch: 14 17:13:56 -5.578829 0.000008