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": "A3B2_cP20_221_j_g"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "N"
      ]
    },
    "a": {
      "source-value": 5.0912,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.25716395,
        0.15598414
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_668722990942_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 2.7377640294614847 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 14:30:33     -120.451339       10.468447
LBFGSLineSearch:    1 14:30:53     -122.702667       10.343374
LBFGSLineSearch:    2 14:30:58     -128.317510       13.819122
LBFGSLineSearch:    3 14:31:12     -133.015139       12.829344
LBFGSLineSearch:    4 14:31:33     -134.820624        3.264427
LBFGSLineSearch:    5 14:31:35     -135.462537        2.092716
LBFGSLineSearch:    6 14:31:40     -135.494873        1.284553
LBFGSLineSearch:    7 14:31:41     -135.500594        0.325469
LBFGSLineSearch:    8 14:31:44     -135.501589        0.065237
LBFGSLineSearch:    9 14:31:46     -135.502262        0.039293
LBFGSLineSearch:   10 14:31:47     -135.502279        0.008300
LBFGSLineSearch:   11 14:31:48     -135.502280        0.000802
LBFGSLineSearch:   12 14:31:50     -135.502280        0.000013
LBFGSLineSearch:   13 14:31:53     -135.502280        0.000000