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_oC8_65_gh"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 7.8193,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.34531224,
        0.32109012,
        0.5860263,
        0.68934767
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_893776561221_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 8.114646384314774 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 0.21132819677007206 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 11:04:00      -28.471819        8.114646
LBFGSLineSearch:    1 11:04:01      -28.866359        2.940077
LBFGSLineSearch:    2 11:04:02      -28.978618        1.781590
LBFGSLineSearch:    3 11:04:04      -29.051907        1.084337
LBFGSLineSearch:    4 11:04:06      -29.147853        0.645469
LBFGSLineSearch:    5 11:04:08      -29.177445        0.923615
LBFGSLineSearch:    6 11:04:11      -29.189576        0.068429
LBFGSLineSearch:    7 11:04:11      -29.189693        0.017303
LBFGSLineSearch:    8 11:04:13      -29.189703        0.009050
LBFGSLineSearch:    9 11:04:13      -29.189707        0.003696
LBFGSLineSearch:   10 11:04:14      -29.189708        0.000003