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_oC16_65_mn" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 4.883, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.1391972, 0.87542494, 0.15709997, 0.85013575, 0.6807677 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_344206135651_000" ] ] }, "duplicate_reference_data": [ "RD_432402070923_000" ] }, { "prototype-label": { "source-value": "A_oC16_65_mn" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 4.9133, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.1162152, 1.3733336, 0.10134088, 0.12560938, 0.81864012 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_367949787318_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 18.793193235402427 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 10:54:37 -34.661911 20.607071 LBFGSLineSearch: 1 10:55:07 -37.678914 7.918414 LBFGSLineSearch: 2 10:55:22 -40.699694 6.187296 LBFGSLineSearch: 3 10:55:28 -42.429218 2.246826 LBFGSLineSearch: 4 10:55:29 -42.606864 2.627318 LBFGSLineSearch: 5 10:55:29 -42.917814 2.211102 LBFGSLineSearch: 6 10:55:29 -43.319172 1.601308 LBFGSLineSearch: 7 10:55:31 -43.455119 0.697458 LBFGSLineSearch: 8 10:55:34 -43.502686 0.520053 LBFGSLineSearch: 9 10:55:40 -43.526712 0.287266 LBFGSLineSearch: 10 10:55:41 -43.553428 1.222917 LBFGSLineSearch: 11 10:55:44 -43.612804 0.225904 LBFGSLineSearch: 12 10:55:45 -43.615666 0.062837 LBFGSLineSearch: 13 10:55:45 -43.615985 0.086056 LBFGSLineSearch: 14 10:55:47 -43.616475 0.115442 LBFGSLineSearch: 15 10:55:49 -43.627330 0.154541 LBFGSLineSearch: 16 10:55:49 -43.629548 0.027787 LBFGSLineSearch: 17 10:55:50 -43.629563 0.004514 LBFGSLineSearch: 18 10:55:50 -43.629563 0.000026 LBFGSLineSearch: 19 10:55:50 -43.629563 0.000003 NOTE: The configuration you provided has a maximum force component 31.177588190881746 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 10:56:27 -27.862126 31.673763 LBFGSLineSearch: 1 10:56:28 -40.365832 1.819168 LBFGSLineSearch: 2 10:56:28 -40.707390 1.260233 LBFGSLineSearch: 3 10:56:28 -40.830288 0.956610 LBFGSLineSearch: 4 10:56:28 -40.867232 0.742405 LBFGSLineSearch: 5 10:56:28 -40.997616 0.630865 LBFGSLineSearch: 6 10:56:28 -41.102928 0.547551 LBFGSLineSearch: 7 10:56:28 -41.141743 0.305877 LBFGSLineSearch: 8 10:56:28 -41.149380 0.233146 LBFGSLineSearch: 9 10:56:28 -41.154829 0.316769 LBFGSLineSearch: 10 10:56:28 -41.175336 0.126877 LBFGSLineSearch: 11 10:56:28 -41.175916 0.103508 LBFGSLineSearch: 12 10:56:28 -41.176554 0.095747 LBFGSLineSearch: 13 10:56:28 -41.193809 0.039672 LBFGSLineSearch: 14 10:56:28 -41.193999 0.001458 LBFGSLineSearch: 15 10:56:28 -41.194001 0.000190 LBFGSLineSearch: 16 10:56:28 -41.194001 0.000005