Model name? Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004 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_oC8_64_f" }, "stoichiometric-species": { "source-value": [ "Ga" ] }, "a": { "source-value": 4.5397, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.6992092, 1.0032161, 0.84397269, 0.081681897 ] }, "library-prototype-label": { "source-value": "A_oC8_64_f-001" }, "short-name": { "source-value": "alpha-Gallium" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_021338994848_000" ] ] }, "duplicate_reference_data": [ "RD_703608442363_000", "RD_754257039901_000", "RD_818230274688_000", "RD_082991115296_000", "RD_111232043967_000", "RD_945653098777_000" ] } ] NOTE: The configuration you provided has a maximum force component 1.4856912183353912 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:29:09 -11.063322 3.387226 LBFGSLineSearch: 1 16:29:09 -11.266023 1.055167 LBFGSLineSearch: 2 16:29:09 -11.296293 0.204521 LBFGSLineSearch: 3 16:29:09 -11.310618 0.229295 LBFGSLineSearch: 4 16:29:09 -11.320835 0.156496 LBFGSLineSearch: 5 16:29:09 -11.323579 0.102074 LBFGSLineSearch: 6 16:29:09 -11.325396 0.095337 LBFGSLineSearch: 7 16:29:09 -11.329617 0.067212 LBFGSLineSearch: 8 16:29:09 -11.330677 0.027744 LBFGSLineSearch: 9 16:29:09 -11.330796 0.024276 LBFGSLineSearch: 10 16:29:09 -11.330882 0.016497 LBFGSLineSearch: 11 16:29:09 -11.331023 0.003572 LBFGSLineSearch: 12 16:29:09 -11.331026 0.003395 LBFGSLineSearch: 13 16:29:09 -11.331030 0.000356 LBFGSLineSearch: 14 16:29:09 -11.331030 0.000021 LBFGSLineSearch: 15 16:29:09 -11.331030 0.000000