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": "A_oP16_62_4c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 9.0838,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.27794535,
        0.45742971,
        0.80509054,
        0.074368855,
        0.18951676,
        0.70009446,
        0.5207376,
        0.90843723,
        0.46345886,
        0.56850299
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_296635253471_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 2.829001056124747 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 14:20:57     -132.082396        8.716188
LBFGSLineSearch:    1 14:21:26     -133.845362        6.726032
LBFGSLineSearch:    2 14:22:09     -135.382227        4.359638
LBFGSLineSearch:    3 14:23:23     -135.579963        6.240885
LBFGSLineSearch:    4 14:23:37     -136.624389        4.922736
LBFGSLineSearch:    5 14:23:45     -137.007131        3.716096
LBFGSLineSearch:    6 14:23:59     -137.084913        2.881855
LBFGSLineSearch:    7 14:24:10     -137.163212        1.792623
LBFGSLineSearch:    8 14:24:14     -137.198109        0.533462
LBFGSLineSearch:    9 14:24:19     -137.202423        0.470021
LBFGSLineSearch:   10 14:24:21     -137.204803        0.315558
LBFGSLineSearch:   11 14:24:25     -137.209433        0.292515
LBFGSLineSearch:   12 14:24:28     -137.218446        0.212366
LBFGSLineSearch:   13 14:24:31     -137.220461        0.097253
LBFGSLineSearch:   14 14:24:35     -137.222603        0.218873
LBFGSLineSearch:   15 14:24:38     -137.229244        0.138909
LBFGSLineSearch:   16 14:24:39     -137.230548        0.037806
LBFGSLineSearch:   17 14:24:42     -137.230597        0.015632
LBFGSLineSearch:   18 14:24:44     -137.230633        0.026470
LBFGSLineSearch:   19 14:24:47     -137.230642        0.018528
LBFGSLineSearch:   20 14:24:51     -137.230659        0.027937
LBFGSLineSearch:   21 14:24:57     -137.230767        0.015533
LBFGSLineSearch:   22 14:25:00     -137.230770        0.002761
LBFGSLineSearch:   23 14:25:03     -137.230770        0.000046
LBFGSLineSearch:   24 14:25:06     -137.230770        0.000002