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_hP16_194_e3f"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.5225,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        6.564004,
        0.046707512,
        0.57788125,
        0.67123739,
        0.29740429
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_680212468769_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 1.623998856131312 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 10:39:50     -135.070941        8.188047
LBFGSLineSearch:    1 10:40:25     -140.142300        9.578183
LBFGSLineSearch:    2 10:40:39     -140.399681        6.201915
LBFGSLineSearch:    3 10:40:44     -140.982210        3.131942
LBFGSLineSearch:    4 10:40:48     -141.017392        2.367961
LBFGSLineSearch:    5 10:40:53     -141.051569        1.100491
LBFGSLineSearch:    6 10:40:54     -141.077949        0.604962
LBFGSLineSearch:    7 10:41:01     -141.083479        0.213468
LBFGSLineSearch:    8 10:41:04     -141.083860        0.049972
LBFGSLineSearch:    9 10:41:06     -141.083994        0.069498
LBFGSLineSearch:   10 10:41:09     -141.084320        0.093454
LBFGSLineSearch:   11 10:41:10     -141.084745        0.100218
LBFGSLineSearch:   12 10:41:12     -141.084913        0.033567
LBFGSLineSearch:   13 10:41:13     -141.084918        0.005332
LBFGSLineSearch:   14 10:41:15     -141.084919        0.000198
LBFGSLineSearch:   15 10:41:15     -141.084919        0.000048
LBFGSLineSearch:   16 10:41:16     -141.084919        0.000006