Model name? Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_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" ] } ] Step Time Energy fmax LBFGSLineSearch: 0 10:26:10 264.475161 208.161552 LBFGSLineSearch: 1 10:26:43 108.548150 77.007083 LBFGSLineSearch: 2 10:26:45 47.576716 32.125462 LBFGSLineSearch: 3 10:26:46 21.271590 14.594208 LBFGSLineSearch: 4 10:26:48 5.471552 4.337971 LBFGSLineSearch: 5 10:26:49 2.131856 1.638596 LBFGSLineSearch: 6 10:26:51 0.238895 0.510049 LBFGSLineSearch: 7 10:26:53 0.031891 0.183013 LBFGSLineSearch: 8 10:26:56 0.000054 0.007440 LBFGSLineSearch: 9 10:26:56 0.000000 0.000106 LBFGSLineSearch: 10 10:26:56 0.000000 0.000000