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_hP12_194_e2f"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.5213,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        4.9308293,
        0.18686753,
        0.52076763,
        0.6450971
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_161237649242_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 1.494117968149814 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 10:40:12     -101.260713        8.227087
LBFGSLineSearch:    1 10:40:45     -104.565994       10.277257
LBFGSLineSearch:    2 10:40:59     -105.453093        7.484388
LBFGSLineSearch:    3 10:41:04     -105.844684        3.350059
LBFGSLineSearch:    4 10:41:08     -105.918283        1.073827
LBFGSLineSearch:    5 10:41:09     -105.926809        0.149483
LBFGSLineSearch:    6 10:41:11     -105.927247        0.134418
LBFGSLineSearch:    7 10:41:15     -105.927335        0.033644
LBFGSLineSearch:    8 10:41:20     -105.927511        0.114714
LBFGSLineSearch:    9 10:41:24     -105.927864        0.069157
LBFGSLineSearch:   10 10:41:28     -105.927919        0.017313
LBFGSLineSearch:   11 10:41:29     -105.927922        0.000185
LBFGSLineSearch:   12 10:41:30     -105.927922        0.000010