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_oC16_65_pq"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 4.2547,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        2.0610619,
        0.59089948,
        0.18519352,
        0.16660457,
        0.18446938,
        0.41082374
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_107978512998_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 1.8724524821677002 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 16:16:16      -66.222461        8.256872
LBFGSLineSearch:    1 16:16:17      -68.388473        4.065603
LBFGSLineSearch:    2 16:16:20      -68.986930        3.937630
LBFGSLineSearch:    3 16:16:21      -68.999664        2.541408
LBFGSLineSearch:    4 16:16:22      -69.079778        0.798862
LBFGSLineSearch:    5 16:16:24      -69.087555        0.830185
LBFGSLineSearch:    6 16:16:24      -69.091456        0.277394
LBFGSLineSearch:    7 16:16:25      -69.096607        0.904760
LBFGSLineSearch:    8 16:16:26      -69.106461        0.806404
LBFGSLineSearch:    9 16:16:28      -69.108490        0.185826
LBFGSLineSearch:   10 16:16:29      -69.108954        0.043650
LBFGSLineSearch:   11 16:16:30      -69.108965        0.009821
LBFGSLineSearch:   12 16:16:31      -69.108973        0.027485
LBFGSLineSearch:   13 16:16:33      -69.108994        0.019574
LBFGSLineSearch:   14 16:16:34      -69.108996        0.000406
LBFGSLineSearch:   15 16:16:37      -69.108996        0.000029
LBFGSLineSearch:   16 16:16:39      -69.108996        0.000000