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_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 0.09079590489443606 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 0.12202482810676983 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      -29.468973        0.697264
LBFGSLineSearch:    1 10:49:04      -29.482830        0.570754
LBFGSLineSearch:    2 10:49:06      -29.492700        0.042956
LBFGSLineSearch:    3 10:49:07      -29.492761        0.000474
LBFGSLineSearch:    4 10:49:08      -29.492761        0.000145
LBFGSLineSearch:    5 10:49:09      -29.492761        0.000089
LBFGSLineSearch:    6 10:49:11      -29.492761        0.000001