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_mC4_15_e" }, "stoichiometric-species": { "source-value": [ "Ga" ] }, "a": { "source-value": 2.7913, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 2.9000466, 1.53656, 129.558, 0.88421875 ] }, "library-prototype-label": { "source-value": "A_mC4_15_e-001" }, "short-name": { "source-value": "beta-Ga (obsolete)" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_525912051999_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 5.069654143350369 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:19:06 -4.856006 8.684917 LBFGSLineSearch: 1 16:19:08 -5.549982 0.491000 LBFGSLineSearch: 2 16:19:10 -5.554733 0.372872 LBFGSLineSearch: 3 16:19:13 -5.566771 0.316458 LBFGSLineSearch: 4 16:19:14 -5.567833 0.279074 LBFGSLineSearch: 5 16:19:15 -5.569880 0.203543 LBFGSLineSearch: 6 16:19:17 -5.573842 0.165694 LBFGSLineSearch: 7 16:19:19 -5.575368 0.259483 LBFGSLineSearch: 8 16:19:21 -5.577069 0.111601 LBFGSLineSearch: 9 16:19:22 -5.578443 0.153124 LBFGSLineSearch: 10 16:19:24 -5.578814 0.033098 LBFGSLineSearch: 11 16:19:28 -5.578828 0.006252 LBFGSLineSearch: 12 16:19:31 -5.578829 0.003202 LBFGSLineSearch: 13 16:19:31 -5.578829 0.000943 LBFGSLineSearch: 14 16:19:32 -5.578829 0.000118 LBFGSLineSearch: 15 16:19:34 -5.578829 0.000005