Model name? Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001 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_hP2_194_c" }, "stoichiometric-species": { "source-value": [ "Fe" ] }, "a": { "source-value": 2.4403, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.5759538 ] }, "library-prototype-label": { "source-value": "A_hP2_194_c-001" }, "short-name": { "source-value": "Hexagonal Close Packed" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_727881181226_000" ] ] }, "duplicate_reference_data": [ "RD_449759849635_000", "RD_991070543618_000" ] } ] Step Time Energy fmax LBFGSLineSearch: 0 12:23:43 -7.672816 2.077953 LBFGSLineSearch: 1 12:23:45 -8.001378 0.239452 LBFGSLineSearch: 2 12:23:46 -8.008306 0.069310 LBFGSLineSearch: 3 12:23:47 -8.009042 0.027000 LBFGSLineSearch: 4 12:23:47 -8.009097 0.020041 LBFGSLineSearch: 5 12:23:48 -8.009135 0.032727 LBFGSLineSearch: 6 12:23:50 -8.009746 0.018472 LBFGSLineSearch: 7 12:23:50 -8.009845 0.007785 LBFGSLineSearch: 8 12:23:52 -8.009854 0.000396 LBFGSLineSearch: 9 12:23:52 -8.009854 0.000076 LBFGSLineSearch: 10 12:23:53 -8.009854 0.000000