Model name?
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_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_hP16_194_e3f"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.5225,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        6.564004,
        0.046707512,
        0.57788125,
        0.67123739,
        0.29740429
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_680212468769_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.4217786519012522 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.


NOTE: The configuration you provided has a maximum stress component 0.04270403600765748 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 10:39:02     -117.947601        0.421779
LBFGSLineSearch:    1 10:39:05     -117.957158        0.231708
LBFGSLineSearch:    2 10:39:07     -117.961684        0.217729
LBFGSLineSearch:    3 10:39:09     -117.964179        0.181636
LBFGSLineSearch:    4 10:39:11     -117.965902        0.158453
LBFGSLineSearch:    5 10:39:13     -117.969184        0.191300
LBFGSLineSearch:    6 10:39:14     -117.970973        0.039430
LBFGSLineSearch:    7 10:39:16     -117.971043        0.003372
LBFGSLineSearch:    8 10:39:16     -117.971043        0.002465
LBFGSLineSearch:    9 10:39:17     -117.971044        0.003099
LBFGSLineSearch:   10 10:39:19     -117.971045        0.000399
LBFGSLineSearch:   11 10:39:20     -117.971045        0.000060
LBFGSLineSearch:   12 10:39:22     -117.971045        0.000000