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_oC4_63_c" }, "stoichiometric-species": { "source-value": [ "Ga" ] }, "a": { "source-value": 2.7854, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 2.9018453, 1.1948374, 0.13408348 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_086875703202_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 0.27624785072763214 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 17:17:57 -1.247244 3.794213 LBFGSLineSearch: 1 17:17:58 -2.595472 2.105586 LBFGSLineSearch: 2 17:17:58 -2.668658 0.491257 LBFGSLineSearch: 3 17:17:58 -2.697099 0.127448 LBFGSLineSearch: 4 17:17:58 -2.698391 0.145684 LBFGSLineSearch: 5 17:17:58 -2.701748 0.038224 LBFGSLineSearch: 6 17:17:58 -2.701810 0.039770 LBFGSLineSearch: 7 17:17:58 -2.701954 0.055429 LBFGSLineSearch: 8 17:17:59 -2.711654 0.405917 LBFGSLineSearch: 9 17:17:59 -2.712224 0.458170 LBFGSLineSearch: 10 17:17:59 -2.762918 0.773518 LBFGSLineSearch: 11 17:17:59 -2.772166 0.731034 LBFGSLineSearch: 12 17:17:59 -2.790372 0.209064 LBFGSLineSearch: 13 17:17:59 -2.791890 0.135150 LBFGSLineSearch: 14 17:18:00 -2.792432 0.014581 LBFGSLineSearch: 15 17:18:00 -2.792439 0.000853 LBFGSLineSearch: 16 17:18:00 -2.792439 0.000055 LBFGSLineSearch: 17 17:18:00 -2.792439 0.000022 LBFGSLineSearch: 18 17:18:00 -2.792439 0.000000