Model name? EDIP_LAMMPS_Marks_2000_C__MO_374144505645_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 2.374494756855699 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:16:29 -41.411063 4.954408 LBFGSLineSearch: 1 16:16:29 -42.100174 3.488706 LBFGSLineSearch: 2 16:16:30 -44.284354 1.622011 LBFGSLineSearch: 3 16:16:31 -44.882838 0.527723 LBFGSLineSearch: 4 16:16:31 -44.961612 0.485746 LBFGSLineSearch: 5 16:16:31 -44.984337 0.455963 LBFGSLineSearch: 6 16:16:31 -45.006560 0.225524 LBFGSLineSearch: 7 16:16:33 -45.016521 0.024970 LBFGSLineSearch: 8 16:16:33 -45.016672 0.008425 LBFGSLineSearch: 9 16:16:34 -45.016681 0.000329 LBFGSLineSearch: 10 16:16:34 -45.016681 0.000139 LBFGSLineSearch: 11 16:16:35 -45.016681 0.000000