Model name? Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_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 0.28929903716433947 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 16:17:16 -14.576386 1.649099 LBFGSLineSearch: 1 16:17:16 -14.751596 0.043102 LBFGSLineSearch: 2 16:17:16 -14.751710 0.001468 LBFGSLineSearch: 3 16:17:16 -14.751710 0.000003