Model name? Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_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_oC8_63_g" }, "stoichiometric-species": { "source-value": [ "Ga" ] }, "a": { "source-value": 7.7917, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.59708408, 0.58838251, 0.83822815, 0.82662815 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_062690891627_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 1.4852528739812303 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:20:45 -10.784149 4.687695 LBFGSLineSearch: 1 16:20:45 -11.137463 0.876019 LBFGSLineSearch: 2 16:20:46 -11.173597 0.245845 LBFGSLineSearch: 3 16:20:46 -11.197671 0.250038 LBFGSLineSearch: 4 16:20:47 -11.205632 0.317440 LBFGSLineSearch: 5 16:20:48 -11.214423 0.357111 LBFGSLineSearch: 6 16:20:49 -11.239624 0.245290 LBFGSLineSearch: 7 16:20:49 -11.250944 0.424051 LBFGSLineSearch: 8 16:20:50 -11.272274 0.117993 LBFGSLineSearch: 9 16:20:51 -11.282459 0.075257 LBFGSLineSearch: 10 16:20:52 -11.283216 0.050931 LBFGSLineSearch: 11 16:20:52 -11.283685 0.044763 LBFGSLineSearch: 12 16:20:53 -11.284571 0.018334 LBFGSLineSearch: 13 16:20:53 -11.284613 0.014946 LBFGSLineSearch: 14 16:20:53 -11.284627 0.008747 LBFGSLineSearch: 15 16:20:54 -11.284661 0.000503 LBFGSLineSearch: 16 16:20:54 -11.284661 0.000005