Model name? Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_Ta__SM_907764821792_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_tP22_136_af2i" }, "stoichiometric-species": { "source-value": [ "Ta" ] }, "a": { "source-value": 10.6664, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.45007688, 0.60433614, 0.93152738, 0.2588458, 0.87856864, 0.53835909 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_669098570739_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 1.6344342183340164 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 23:07:16 -135.971294 1.971091 LBFGSLineSearch: 1 23:07:16 -137.770079 1.915278 LBFGSLineSearch: 2 23:07:16 -138.081983 1.707669 LBFGSLineSearch: 3 23:07:16 -138.821920 2.252624 LBFGSLineSearch: 4 23:07:17 -139.455286 0.814788 LBFGSLineSearch: 5 23:07:17 -139.585146 0.733034 LBFGSLineSearch: 6 23:07:18 -139.717239 0.935945 LBFGSLineSearch: 7 23:07:18 -139.991087 1.643875 LBFGSLineSearch: 8 23:07:19 -140.160795 1.617664 LBFGSLineSearch: 9 23:07:21 -141.762168 1.888166 LBFGSLineSearch: 10 23:07:22 -141.837187 2.004593 LBFGSLineSearch: 11 23:07:23 -142.853336 0.617291 LBFGSLineSearch: 12 23:07:24 -142.995083 0.813720 LBFGSLineSearch: 13 23:07:24 -143.068010 0.326136 LBFGSLineSearch: 14 23:07:25 -143.090125 0.236158 LBFGSLineSearch: 15 23:07:26 -143.141795 0.400624 LBFGSLineSearch: 16 23:07:28 -143.207445 0.216682 LBFGSLineSearch: 17 23:07:29 -143.223376 0.082572 LBFGSLineSearch: 18 23:07:30 -143.226330 0.018079 LBFGSLineSearch: 19 23:07:31 -143.226372 0.012139 LBFGSLineSearch: 20 23:07:31 -143.226406 0.006904 LBFGSLineSearch: 21 23:07:32 -143.226432 0.004749 LBFGSLineSearch: 22 23:07:32 -143.226445 0.003989 LBFGSLineSearch: 23 23:07:33 -143.226448 0.003872 LBFGSLineSearch: 24 23:07:33 -143.226450 0.003511 LBFGSLineSearch: 25 23:07:34 -143.226766 0.013448 The minimization failed to converge. See kim-tools.log for more info