Model name?
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_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": "A3B4_cF56_227_ad_e"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "N"
      ]
    },
    "a": {
      "source-value": 6.7818,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.74413816
      ]
    },
    "library-prototype-label": {
      "source-value": "A3B4_cF56_227_ad_e-001"
    },
    "short-name": {
      "source-value": "Spinel"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_787828103131_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_076427527600_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum force component 3.6084963672901242 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 14:30:32      -44.715205        6.148107
LBFGSLineSearch:    1 14:30:45      -47.414112        5.563762
LBFGSLineSearch:    2 14:30:51      -48.321794        2.043878
LBFGSLineSearch:    3 14:31:01      -48.613974        1.124093
LBFGSLineSearch:    4 14:31:32      -49.607749        0.724146
LBFGSLineSearch:    5 14:31:35      -49.622838        0.373295
LBFGSLineSearch:    6 14:31:37      -49.629896        0.160892
LBFGSLineSearch:    7 14:31:39      -49.632937        0.048829
LBFGSLineSearch:    8 14:31:43      -49.634660        0.045300
LBFGSLineSearch:    9 14:31:44      -49.634780        0.008357
LBFGSLineSearch:   10 14:32:01      -49.634780        0.008356
LBFGSLineSearch:   11 14:32:07      -49.634780        0.008353
LBFGSLineSearch:   12 14:32:11      -49.634780        0.008353
LBFGSLineSearch:   13 14:32:16      -49.634784        0.003592
LBFGSLineSearch:   14 14:32:23      -49.634784        0.003592
LBFGSLineSearch:   15 14:32:31      -49.634784        0.003592
LBFGSLineSearch:   16 14:32:38      -49.634784        0.003592
LBFGSLineSearch:   17 14:32:46      -49.634784        0.003592

The minimization failed to converge. See kim-tools.log for more info