Model name? Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_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_cF8_227_a" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 3.5727, "source-unit": "angstrom" }, "library-prototype-label": { "source-value": "A_cF8_227_a" }, "short-name": { "source-value": "Diamond" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_932972351634_000" ] ] }, "duplicate_reference_data": [ "RD_369268253838_000", "RD_934390611803_000", "RD_235635192471_000", "RD_380047531965_000", "RD_314903559187_000", "RD_627189256053_000", "RD_287852491168_000", "RD_712701276634_000", "RD_452539028206_000", "RD_175322864559_000", "RD_615207242390_000", "RD_746644174750_000", "RD_800869917864_000", "RD_555511497587_000", "RD_174415898673_000", "RD_810961167381_000", "RD_644739981451_000", "RD_199187661542_000", "RD_598556040956_000", "RD_449600608221_000" ] } ] NOTE: The configuration you provided has a maximum stress component 0.03688736724646797 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:16:16 -14.737117 0.210270 LBFGSLineSearch: 1 16:16:16 -14.740000 0.001892 LBFGSLineSearch: 2 16:16:16 -14.740000 0.000025 LBFGSLineSearch: 3 16:16:16 -14.740000 0.000000