Model name? Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_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_mC16_12_4i" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 9.1921, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.27467064, 0.45133321, 82.971, 0.94271241, 0.87955035, 0.44178398, 0.65364615, 0.78567809, 0.059238811, 0.27133365, 0.58534651 ] }, "library-prototype-label": { "source-value": "A_mC16_12_4i-001" }, "short-name": { "source-value": "M-carbon" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_945198510825_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 2.2852055904513136 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 10:54:05 -55.212967 2.298001 LBFGSLineSearch: 1 10:54:09 -55.286373 0.576751 LBFGSLineSearch: 2 10:54:12 -55.299402 0.477365 LBFGSLineSearch: 3 10:54:15 -55.314846 0.584419 LBFGSLineSearch: 4 10:54:18 -55.332379 0.096848 LBFGSLineSearch: 5 10:54:21 -55.332975 0.065758 LBFGSLineSearch: 6 10:54:23 -55.333259 0.055791 LBFGSLineSearch: 7 10:54:26 -55.333664 0.076040 LBFGSLineSearch: 8 10:54:28 -55.334344 0.037659 LBFGSLineSearch: 9 10:54:30 -55.334376 0.014333 LBFGSLineSearch: 10 10:54:32 -55.334386 0.012392 LBFGSLineSearch: 11 10:54:35 -55.334397 0.015354 LBFGSLineSearch: 12 10:54:39 -55.334415 0.003245 LBFGSLineSearch: 13 10:54:42 -55.334415 0.001038 LBFGSLineSearch: 14 10:54:44 -55.334415 0.000436 LBFGSLineSearch: 15 10:54:47 -55.334415 0.000153 LBFGSLineSearch: 16 10:54:49 -55.334415 0.000158 LBFGSLineSearch: 17 10:54:51 -55.334416 0.000001