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_cI16_229_f" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 4.8764, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.16261302 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_279555491360_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 4.381733099224886 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:16:18 -39.389138 7.589384 LBFGSLineSearch: 1 16:16:20 -43.037284 2.030211 LBFGSLineSearch: 2 16:16:24 -43.841070 2.271163 LBFGSLineSearch: 3 16:16:28 -44.140876 3.264918 LBFGSLineSearch: 4 16:16:32 -46.236623 1.402194 LBFGSLineSearch: 5 16:16:34 -47.116594 2.354644 LBFGSLineSearch: 6 16:16:34 -47.211743 0.828624 LBFGSLineSearch: 7 16:16:36 -47.229919 0.056911 LBFGSLineSearch: 8 16:16:37 -47.229989 0.003339 LBFGSLineSearch: 9 16:16:39 -47.229990 0.000114 LBFGSLineSearch: 10 16:16:39 -47.229990 0.000026 LBFGSLineSearch: 11 16:16:40 -47.229990 0.000000