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_cF8_227_a" }, "stoichiometric-species": { "source-value": [ "Si" ] }, "a": { "source-value": 5.4673, "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_335913369002_000" ] ] }, "duplicate_reference_data": [ "RD_796485937580_000", "RD_550010743351_000", "RD_123568341765_000", "RD_463019825830_000", "RD_810162656157_000", "RD_738417728313_000", "RD_284717515369_000", "RD_649385944863_000", "RD_891985603062_000", "RD_658597223132_000", "RD_111618836142_000", "RD_060838430144_000", "RD_156836204926_000", "RD_426261882322_000", "RD_102904424038_000", "RD_954532325353_000", "RD_841968872062_000", "RD_186919110032_000", "RD_194125515737_000", "RD_984075939344_000", "RD_531962968367_000", "RD_488154051272_000", "RD_878500593502_000", "RD_538281600990_000", "RD_131415176284_000", "RD_510351897314_000" ] } ] Step Time Energy fmax LBFGSLineSearch: 0 16:54:23 -3.629740 14.368876 LBFGSLineSearch: 1 16:54:25 -5.626619 0.897744 LBFGSLineSearch: 2 16:54:26 -5.636121 0.191028 LBFGSLineSearch: 3 16:54:27 -5.636543 0.011429 LBFGSLineSearch: 4 16:54:27 -5.636544 0.000127 LBFGSLineSearch: 5 16:54:27 -5.636544 0.000000