Model name? Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_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_cF136_227_aeg" }, "stoichiometric-species": { "source-value": [ "Si" ] }, "a": { "source-value": 14.7362, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.76473335, 0.31636148, 0.12789779 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_093344408860_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 0.44932021244535836 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:46:46 -137.331404 0.778245 LBFGSLineSearch: 1 16:46:51 -140.381451 0.895028 LBFGSLineSearch: 2 16:46:55 -140.464536 0.722343 LBFGSLineSearch: 3 16:46:58 -140.851674 0.332316 LBFGSLineSearch: 4 16:47:00 -140.912014 0.223825 LBFGSLineSearch: 5 16:47:02 -140.930213 0.186924 LBFGSLineSearch: 6 16:47:03 -140.939549 0.158283 LBFGSLineSearch: 7 16:47:05 -140.943300 0.128568 LBFGSLineSearch: 8 16:47:07 -140.948722 0.124233 LBFGSLineSearch: 9 16:47:11 -140.968199 0.039328 LBFGSLineSearch: 10 16:47:13 -140.968867 0.001749 LBFGSLineSearch: 11 16:47:15 -140.968870 0.000235 LBFGSLineSearch: 12 16:47:17 -140.968870 0.000008