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_hP8_194_ef"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.5188,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        3.2978799,
        0.092975226,
        0.65554043
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_280290361190_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.4135418747026517 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 0.06914244219404844 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 10:49:01      -58.962782        0.413542
LBFGSLineSearch:    1 10:49:02      -58.973072        0.358057
LBFGSLineSearch:    2 10:49:02      -58.976100        0.320983
LBFGSLineSearch:    3 10:49:03      -58.980409        0.301992
LBFGSLineSearch:    4 10:49:05      -58.985147        0.130112
LBFGSLineSearch:    5 10:49:06      -58.985521        0.005930
LBFGSLineSearch:    6 10:49:07      -58.985522        0.002307
LBFGSLineSearch:    7 10:49:09      -58.985522        0.002483
LBFGSLineSearch:    8 10:49:11      -58.985523        0.001330
LBFGSLineSearch:    9 10:49:12      -58.985523        0.000033
LBFGSLineSearch:   10 10:49:13      -58.985523        0.000000