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_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 0.3041690330978133 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 17:13:51 -1.254428 3.835526 LBFGSLineSearch: 1 17:13:51 -2.599289 2.066074 LBFGSLineSearch: 2 17:13:52 -2.671132 0.459722 LBFGSLineSearch: 3 17:13:52 -2.698377 0.120208 LBFGSLineSearch: 4 17:13:52 -2.699424 0.142783 LBFGSLineSearch: 5 17:13:52 -2.703287 0.103531 LBFGSLineSearch: 6 17:13:52 -2.703800 0.084617 LBFGSLineSearch: 7 17:13:52 -2.704444 0.153182 LBFGSLineSearch: 8 17:13:53 -2.734058 0.436339 LBFGSLineSearch: 9 17:13:53 -2.747998 0.799100 LBFGSLineSearch: 10 17:13:53 -2.765623 0.943190 LBFGSLineSearch: 11 17:13:54 -2.789401 0.328082 LBFGSLineSearch: 12 17:13:54 -2.792243 0.059658 LBFGSLineSearch: 13 17:13:54 -2.792363 0.031857 LBFGSLineSearch: 14 17:13:54 -2.792387 0.005419 LBFGSLineSearch: 15 17:13:54 -2.792388 0.003946 LBFGSLineSearch: 16 17:13:54 -2.792398 0.010700 LBFGSLineSearch: 17 17:13:55 -2.792439 0.001858 LBFGSLineSearch: 18 17:13:55 -2.792439 0.000138 LBFGSLineSearch: 19 17:13:55 -2.792439 0.000004