Model name? Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_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_cP46_223_cik" }, "stoichiometric-species": { "source-value": [ "Si" ] }, "a": { "source-value": 10.227, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.68367841, 0.30783925, 0.1171895 ] }, "library-prototype-label": { "source-value": "A_cP46_223_dik-001" }, "short-name": { "source-value": "Si46 Clathrate" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_869027127490_000" ] ] }, "duplicate_reference_data": [ "RD_344274840703_000" ] } ] NOTE: The configuration you provided has a maximum force component 2.218679538568228 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 18:06:47 -76.473413 14.507356 LBFGSLineSearch: 1 18:06:49 -110.912872 6.379745 LBFGSLineSearch: 2 18:06:51 -122.282140 5.716895 LBFGSLineSearch: 3 18:06:53 -126.181594 2.231826 LBFGSLineSearch: 4 18:06:56 -128.843642 1.995453 LBFGSLineSearch: 5 18:06:57 -130.908293 1.956834 LBFGSLineSearch: 6 18:06:58 -132.154049 1.508345 LBFGSLineSearch: 7 18:07:00 -133.180064 1.632473 LBFGSLineSearch: 8 18:07:03 -134.066599 0.862695 LBFGSLineSearch: 9 18:07:06 -134.408382 0.487629 LBFGSLineSearch: 10 18:07:07 -134.643523 0.625555 LBFGSLineSearch: 11 18:07:08 -134.865619 0.926483 LBFGSLineSearch: 12 18:07:09 -135.494609 0.879628 LBFGSLineSearch: 13 18:07:11 -137.173870 1.291282 LBFGSLineSearch: 14 18:07:12 -138.894694 1.710682 LBFGSLineSearch: 15 18:07:13 -139.816683 1.107038 LBFGSLineSearch: 16 18:07:15 -139.972039 0.208825 LBFGSLineSearch: 17 18:07:15 -139.998752 0.174445 LBFGSLineSearch: 18 18:07:16 -140.006825 0.060976 LBFGSLineSearch: 19 18:07:17 -140.008442 0.025361 LBFGSLineSearch: 20 18:07:18 -140.010289 0.002583 LBFGSLineSearch: 21 18:07:18 -140.010292 0.000462 LBFGSLineSearch: 22 18:07:19 -140.010292 0.000029 LBFGSLineSearch: 23 18:07:20 -140.010292 0.000000