Model name? Sim_LAMMPS_Polymorphic_ZhouJonesChu_2017_GaInN__SM_887684855692_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 0.10888644571854161 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:19:04 -5.244991 1.317557 LBFGSLineSearch: 1 16:19:04 -5.315553 0.361127 LBFGSLineSearch: 2 16:19:05 -5.335876 0.279460 LBFGSLineSearch: 3 16:19:05 -5.343610 0.183975 LBFGSLineSearch: 4 16:19:06 -5.346065 0.049125 LBFGSLineSearch: 5 16:19:06 -5.346266 0.050360 LBFGSLineSearch: 6 16:19:06 -5.346386 0.037376 LBFGSLineSearch: 7 16:19:06 -5.346474 0.001955 LBFGSLineSearch: 8 16:19:07 -5.346475 0.001747 LBFGSLineSearch: 9 16:19:07 -5.346475 0.001905 LBFGSLineSearch: 10 16:19:08 -5.346478 0.000095 LBFGSLineSearch: 11 16:19:08 -5.346478 0.000025 LBFGSLineSearch: 12 16:19:08 -5.346478 0.000000