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_cF240_202_h2i"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 14.9028,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.54695135,
        0.26622863,
        0.59565647,
        0.79644753,
        0.57883118,
        0.67452263,
        0.34523288,
        0.048719901
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_424537021663_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 4.449031418881656 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 14:20:56     -485.004709        5.669942
LBFGSLineSearch:    1 14:21:40     -501.642943        1.209290
LBFGSLineSearch:    2 14:22:24     -501.862970        0.520442
LBFGSLineSearch:    3 14:22:45     -501.911509        0.901632
LBFGSLineSearch:    4 14:23:05     -501.957109        0.354715
LBFGSLineSearch:    5 14:23:28     -501.968058        0.162868
LBFGSLineSearch:    6 14:23:53     -501.969989        0.063469
LBFGSLineSearch:    7 14:24:12     -501.970467        0.083578
LBFGSLineSearch:    8 14:24:20     -501.971701        0.142188
LBFGSLineSearch:    9 14:24:27     -502.005823        0.192821
LBFGSLineSearch:   10 14:24:33     -502.074071        0.520309
LBFGSLineSearch:   11 14:24:41     -502.135530        0.394013
LBFGSLineSearch:   12 14:24:41     -502.178992        0.324059
LBFGSLineSearch:   13 14:24:49     -502.286746        0.976456
LBFGSLineSearch:   14 14:24:54     -502.443751        0.839903
LBFGSLineSearch:   15 14:24:59     -502.505367        0.222889
LBFGSLineSearch:   16 14:25:02     -502.512108        0.048570
LBFGSLineSearch:   17 14:25:05     -502.513397        0.018086
LBFGSLineSearch:   18 14:25:08     -502.513645        0.018362
LBFGSLineSearch:   19 14:25:09     -502.514055        0.007669
LBFGSLineSearch:   20 14:25:12     -502.514063        0.001271
LBFGSLineSearch:   21 14:25:17     -502.514063        0.000048
LBFGSLineSearch:   22 14:25:21     -502.514063        0.000003