Model name? Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_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_oC92_63_ce2f2g3h" }, "stoichiometric-species": { "source-value": [ "Si" ] }, "a": { "source-value": 16.8175, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.76472127, 0.59618255, 0.14451121, 0.3989819, 0.75155355, 0.56020189, 0.57865634, 0.63103039, 0.61588756, 0.5449893, 0.92923425, 0.87216844, 0.11899988, 0.78738309, 0.44063684, 0.17613844, 0.62454305, 0.37329271, 0.3077052, 0.58172809, 0.44099105 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_450277629393_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 1.9573638504477062 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 18:40:43 746.187834 19.237938 LBFGSLineSearch: 1 18:41:01 470.099906 12.548841 LBFGSLineSearch: 2 18:41:29 357.041859 35.003620 LBFGSLineSearch: 3 18:41:57 266.930584 7.503147 LBFGSLineSearch: 4 18:42:27 199.380834 12.513629 LBFGSLineSearch: 5 18:43:15 69.806767 9.100053 LBFGSLineSearch: 6 18:43:31 38.635413 12.923127 LBFGSLineSearch: 7 18:43:40 16.543820 7.100397 LBFGSLineSearch: 8 18:43:46 6.386907 3.522086 LBFGSLineSearch: 9 18:43:50 2.025793 1.583426 LBFGSLineSearch: 10 18:43:56 0.498551 0.679297 LBFGSLineSearch: 11 18:43:57 0.170769 0.343283 LBFGSLineSearch: 12 18:43:58 0.075279 0.169944 LBFGSLineSearch: 13 18:43:59 0.052387 0.164215 LBFGSLineSearch: 14 18:43:59 0.041625 0.169484 LBFGSLineSearch: 15 18:44:00 0.004145 0.050305 LBFGSLineSearch: 16 18:44:01 0.000089 0.007194 LBFGSLineSearch: 17 18:44:01 0.000000 0.000366 LBFGSLineSearch: 18 18:44:02 0.000000 0.000003