Model name? MEAM_LAMMPS_ParkFellingerLenosky_2012_Ta__MO_105449194206_002 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 1.634434218334017 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 22:10:17 -135.971294 1.971091 LBFGSLineSearch: 1 22:10:19 -137.770079 1.915279 LBFGSLineSearch: 2 22:10:19 -138.081983 1.707669 LBFGSLineSearch: 3 22:10:20 -138.821920 2.252624 LBFGSLineSearch: 4 22:10:21 -139.455286 0.814788 LBFGSLineSearch: 5 22:10:22 -139.585146 0.733034 LBFGSLineSearch: 6 22:10:23 -139.717239 0.935946 LBFGSLineSearch: 7 22:10:25 -139.991087 1.643874 LBFGSLineSearch: 8 22:10:25 -140.160795 1.617663 LBFGSLineSearch: 9 22:10:26 -141.762169 1.888167 LBFGSLineSearch: 10 22:10:27 -141.837183 2.004589 LBFGSLineSearch: 11 22:10:28 -142.853332 0.617291 LBFGSLineSearch: 12 22:10:30 -142.995087 0.813701 LBFGSLineSearch: 13 22:10:31 -143.068010 0.326122 LBFGSLineSearch: 14 22:10:32 -143.090126 0.236162 LBFGSLineSearch: 15 22:10:34 -143.141787 0.400691 LBFGSLineSearch: 16 22:10:35 -143.207443 0.216793 LBFGSLineSearch: 17 22:10:36 -143.223376 0.082575 LBFGSLineSearch: 18 22:10:37 -143.226330 0.018060 LBFGSLineSearch: 19 22:10:38 -143.226372 0.012132 LBFGSLineSearch: 20 22:10:39 -143.226406 0.006899 LBFGSLineSearch: 21 22:10:40 -143.226432 0.004746 LBFGSLineSearch: 22 22:10:41 -143.226445 0.003992 LBFGSLineSearch: 23 22:10:43 -143.226448 0.003874 LBFGSLineSearch: 24 22:10:44 -143.226450 0.003512 LBFGSLineSearch: 25 22:10:45 -143.226767 0.013471 The minimization failed to converge. See kim-tools.log for more info