Model name?
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
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 0.604440726153505 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 0.08577491622614747 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 16:17:24      -58.554296        0.604441
LBFGSLineSearch:    1 16:17:24      -58.569458        0.360658
LBFGSLineSearch:    2 16:17:25      -58.574018        0.263977
LBFGSLineSearch:    3 16:17:25      -58.584646        0.060659
LBFGSLineSearch:    4 16:17:26      -58.584820        0.052576
LBFGSLineSearch:    5 16:17:27      -58.585141        0.075049
LBFGSLineSearch:    6 16:17:28      -58.585728        0.000868
LBFGSLineSearch:    7 16:17:28      -58.585729        0.000029
LBFGSLineSearch:    8 16:17:29      -58.585729        0.000000