Model name?
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_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_mC16_12_4i"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 9.1921,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.27467064,
        0.45133321,
        82.971,
        0.94271241,
        0.87955035,
        0.44178398,
        0.65364615,
        0.78567809,
        0.059238811,
        0.27133365,
        0.58534651
      ]
    },
    "library-prototype-label": {
      "source-value": "A_mC16_12_4i-001"
    },
    "short-name": {
      "source-value": "M-carbon"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_945198510825_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 2.7962888126555203 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 0.010040688323425286 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 10:56:19      -55.744812        2.816123
LBFGSLineSearch:    1 10:56:27      -55.848896        0.555601
LBFGSLineSearch:    2 10:56:29      -55.858283        0.482036
LBFGSLineSearch:    3 10:56:37      -55.869439        0.409175
LBFGSLineSearch:    4 10:56:42      -55.885639        0.174334
LBFGSLineSearch:    5 10:56:42      -55.887040        0.077748
LBFGSLineSearch:    6 10:56:43      -55.887586        0.060906
LBFGSLineSearch:    7 10:56:44      -55.887919        0.053792
LBFGSLineSearch:    8 10:56:45      -55.888723        0.067172
LBFGSLineSearch:    9 10:56:49      -55.889356        0.064313
LBFGSLineSearch:   10 10:56:52      -55.889488        0.035840
LBFGSLineSearch:   11 10:56:56      -55.889552        0.030264
LBFGSLineSearch:   12 10:57:00      -55.889657        0.058925
LBFGSLineSearch:   13 10:57:04      -55.889820        0.008995
LBFGSLineSearch:   14 10:57:05      -55.889823        0.003415
LBFGSLineSearch:   15 10:57:05      -55.889823        0.000067
LBFGSLineSearch:   16 10:57:06      -55.889823        0.000108
LBFGSLineSearch:   17 10:57:07      -55.889823        0.000019
LBFGSLineSearch:   18 10:57:09      -55.889823        0.000001