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_hP4_194_f"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.5124,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.6642254,
        0.062750617
      ]
    },
    "library-prototype-label": {
      "source-value": "A_hP4_194_f-001"
    },
    "short-name": {
      "source-value": "Lonsdaleite"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_603706980992_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_914727357259_000",
      "RD_162295946796_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum force component 1.0428629956795594 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 10:49:29      -33.604656        8.368623
LBFGSLineSearch:    1 10:49:58      -34.554633        3.359327
LBFGSLineSearch:    2 10:50:08      -35.036519        0.434648
LBFGSLineSearch:    3 10:50:15      -35.037682        0.895246
LBFGSLineSearch:    4 10:50:22      -35.040288        0.164866
LBFGSLineSearch:    5 10:50:27      -35.042421        0.323210
LBFGSLineSearch:    6 10:50:31      -35.042735        0.037354
LBFGSLineSearch:    7 10:50:33      -35.042739        0.003535
LBFGSLineSearch:    8 10:50:35      -35.042739        0.000036
LBFGSLineSearch:    9 10:50:35      -35.042739        0.000001