Model name? Sim_LAMMPS_Polymorphic_BereSerra_2006_GaN__SM_518345582208_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_oC40_63_2cf3g" }, "stoichiometric-species": { "source-value": [ "Ga" ] }, "a": { "source-value": 10.5959, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.285903, 0.49246407, 0.99994518, 0.21340616, 0.39342112, 0.99751753, 0.2773131, 0.94908387, 0.62563937, 0.29385601, 0.77128637, 0.13906362 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_474047521004_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 1.1408762104589816 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 17:15:52 -12.502317 2.809747 LBFGSLineSearch: 1 17:15:53 -17.119309 2.782967 LBFGSLineSearch: 2 17:15:53 -18.024811 6.133261 LBFGSLineSearch: 3 17:15:53 -21.439640 3.271724 LBFGSLineSearch: 4 17:15:53 -23.022995 2.065916 LBFGSLineSearch: 5 17:15:53 -24.077891 1.815713 LBFGSLineSearch: 6 17:15:53 -25.182055 1.197378 LBFGSLineSearch: 7 17:15:53 -25.698963 1.398811 LBFGSLineSearch: 8 17:15:54 -25.827253 0.990555 LBFGSLineSearch: 9 17:15:54 -25.938980 0.686307 LBFGSLineSearch: 10 17:15:54 -26.039360 0.585540 LBFGSLineSearch: 11 17:15:54 -26.069509 0.422223 LBFGSLineSearch: 12 17:15:54 -26.109193 0.360364 LBFGSLineSearch: 13 17:15:54 -26.192363 0.315103 LBFGSLineSearch: 14 17:15:54 -26.220112 0.354488 LBFGSLineSearch: 15 17:15:54 -26.285026 0.358894 LBFGSLineSearch: 16 17:15:54 -26.314589 0.217498 LBFGSLineSearch: 17 17:15:55 -26.331450 0.210838 LBFGSLineSearch: 18 17:15:55 -26.378035 0.223046 LBFGSLineSearch: 19 17:15:55 -26.397643 0.303327 LBFGSLineSearch: 20 17:15:55 -26.413406 0.224069 LBFGSLineSearch: 21 17:15:55 -26.423537 0.146628 LBFGSLineSearch: 22 17:15:55 -26.431501 0.143218 LBFGSLineSearch: 23 17:15:55 -26.439543 0.167381 LBFGSLineSearch: 24 17:15:56 -26.466303 0.096236 LBFGSLineSearch: 25 17:15:56 -26.467978 0.101663 LBFGSLineSearch: 26 17:15:56 -26.469859 0.108567 LBFGSLineSearch: 27 17:15:56 -26.480243 0.125992 LBFGSLineSearch: 28 17:15:56 -26.482284 0.105947 LBFGSLineSearch: 29 17:15:56 -26.486107 0.096126 LBFGSLineSearch: 30 17:15:57 -26.489527 0.033679 LBFGSLineSearch: 31 17:15:57 -26.489775 0.034729 LBFGSLineSearch: 32 17:15:57 -26.490527 0.048854 LBFGSLineSearch: 33 17:15:57 -26.494188 0.020184 LBFGSLineSearch: 34 17:15:57 -26.495187 0.004238 LBFGSLineSearch: 35 17:15:57 -26.495189 0.004212 LBFGSLineSearch: 36 17:15:58 -26.495193 0.005430 LBFGSLineSearch: 37 17:15:58 -26.495246 0.006010 LBFGSLineSearch: 38 17:15:58 -26.495271 0.002275 LBFGSLineSearch: 39 17:15:58 -26.495275 0.000019 LBFGSLineSearch: 40 17:15:58 -26.495275 0.000002