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_oC40_63_2cf3g" }, "stoichiometric-species": { "source-value": [ "Ga" ] }, "a": { "source-value": 10.5959, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.285903, 0.49246407, 0.99994518, 0.21340616, 0.39342112, 0.99751753, 0.2773131, 0.94908387, 0.62563937, 0.29385601, 0.77128637, 0.13906362 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_474047521004_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 4.106298114249848 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 17:15:57 -40.064844 8.230057 LBFGSLineSearch: 1 17:15:57 -43.044147 7.408747 LBFGSLineSearch: 2 17:15:58 -49.470514 3.510991 LBFGSLineSearch: 3 17:15:58 -51.535037 1.534229 LBFGSLineSearch: 4 17:15:59 -52.586227 1.748218 LBFGSLineSearch: 5 17:15:59 -52.897718 1.173468 LBFGSLineSearch: 6 17:15:59 -53.433019 0.962849 LBFGSLineSearch: 7 17:15:59 -53.684076 0.597145 LBFGSLineSearch: 8 17:15:59 -53.812134 0.427961 LBFGSLineSearch: 9 17:15:59 -53.825976 0.384537 LBFGSLineSearch: 10 17:15:59 -53.863829 0.490616 LBFGSLineSearch: 11 17:15:59 -53.919039 0.419704 LBFGSLineSearch: 12 17:15:59 -53.960694 0.426505 LBFGSLineSearch: 13 17:15:59 -54.007443 0.365251 LBFGSLineSearch: 14 17:15:59 -54.054245 0.407484 LBFGSLineSearch: 15 17:15:59 -54.086486 0.393133 LBFGSLineSearch: 16 17:15:59 -54.139633 0.204985 LBFGSLineSearch: 17 17:15:59 -54.150889 0.207132 LBFGSLineSearch: 18 17:15:59 -54.155442 0.160198 LBFGSLineSearch: 19 17:15:59 -54.162076 0.235585 LBFGSLineSearch: 20 17:16:00 -54.168675 0.102597 LBFGSLineSearch: 21 17:16:00 -54.171417 0.072894 LBFGSLineSearch: 22 17:16:00 -54.172381 0.046219 LBFGSLineSearch: 23 17:16:00 -54.172809 0.028749 LBFGSLineSearch: 24 17:16:00 -54.173006 0.027581 LBFGSLineSearch: 25 17:16:00 -54.173184 0.036776 LBFGSLineSearch: 26 17:16:00 -54.173398 0.032821 LBFGSLineSearch: 27 17:16:00 -54.173783 0.044231 LBFGSLineSearch: 28 17:16:00 -54.174253 0.044463 LBFGSLineSearch: 29 17:16:00 -54.175192 0.021741 LBFGSLineSearch: 30 17:16:00 -54.175470 0.018360 LBFGSLineSearch: 31 17:16:00 -54.175673 0.018872 LBFGSLineSearch: 32 17:16:00 -54.176004 0.013467 LBFGSLineSearch: 33 17:16:00 -54.176064 0.009148 LBFGSLineSearch: 34 17:16:00 -54.176076 0.006922 LBFGSLineSearch: 35 17:16:00 -54.176093 0.006404 LBFGSLineSearch: 36 17:16:00 -54.176126 0.003857 LBFGSLineSearch: 37 17:16:00 -54.176139 0.000458 LBFGSLineSearch: 38 17:16:00 -54.176139 0.000014 LBFGSLineSearch: 39 17:16:00 -54.176139 0.000000