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_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 1.3204147162381368 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 0.05166114417059906 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 10:53:59      -56.723680        1.804816
LBFGSLineSearch:    1 10:54:00      -56.789971        0.509027
LBFGSLineSearch:    2 10:54:01      -56.804924        0.446793
LBFGSLineSearch:    3 10:54:02      -56.814309        0.355107
LBFGSLineSearch:    4 10:54:04      -56.828095        0.415692
LBFGSLineSearch:    5 10:54:07      -56.838712        0.069885
LBFGSLineSearch:    6 10:54:09      -56.838886        0.041782
LBFGSLineSearch:    7 10:54:10      -56.839086        0.042991
LBFGSLineSearch:    8 10:54:11      -56.839239        0.012256
LBFGSLineSearch:    9 10:54:12      -56.839245        0.004297
LBFGSLineSearch:   10 10:54:14      -56.839245        0.003311
LBFGSLineSearch:   11 10:54:16      -56.839246        0.000638
LBFGSLineSearch:   12 10:54:18      -56.839247        0.000009