Model name?
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_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 25.20405342106254 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 0.28404482449764207 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 16:17:17      -31.877675       27.466735
LBFGSLineSearch:    1 16:17:17      -38.718442       17.439461
LBFGSLineSearch:    2 16:17:17      -41.791383        9.899174
LBFGSLineSearch:    3 16:17:17      -43.300943        5.099826
LBFGSLineSearch:    4 16:17:17      -44.105323        5.677518
LBFGSLineSearch:    5 16:17:17      -44.566531        1.512402
LBFGSLineSearch:    6 16:17:17      -44.811007        1.130907
LBFGSLineSearch:    7 16:17:17      -44.947189        1.335823
LBFGSLineSearch:    8 16:17:17      -45.044823        0.504138
LBFGSLineSearch:    9 16:17:17      -45.077795        0.251651
LBFGSLineSearch:   10 16:17:18      -45.089845        0.245764
LBFGSLineSearch:   11 16:17:18      -45.102814        0.542189
LBFGSLineSearch:   12 16:17:18      -45.114493        0.900483
LBFGSLineSearch:   13 16:17:18      -45.120408        0.218239
LBFGSLineSearch:   14 16:17:18      -45.124731        0.094213
LBFGSLineSearch:   15 16:17:18      -45.125361        0.074103
LBFGSLineSearch:   16 16:17:18      -45.125825        0.064925
LBFGSLineSearch:   17 16:17:18      -45.126567        0.131413
LBFGSLineSearch:   18 16:17:18      -45.128413        0.079221
LBFGSLineSearch:   19 16:17:18      -45.129944        0.108036
LBFGSLineSearch:   20 16:17:18      -45.131144        0.095138
LBFGSLineSearch:   21 16:17:18      -45.131970        0.043470
LBFGSLineSearch:   22 16:17:18      -45.132030        0.021338
LBFGSLineSearch:   23 16:17:18      -45.132058        0.026422
LBFGSLineSearch:   24 16:17:18      -45.132170        0.012025
LBFGSLineSearch:   25 16:17:18      -45.132183        0.009407
LBFGSLineSearch:   26 16:17:18      -45.132187        0.011302
LBFGSLineSearch:   27 16:17:18      -45.132223        0.001771
LBFGSLineSearch:   28 16:17:19      -45.132223        0.000086
LBFGSLineSearch:   29 16:17:19      -45.132223        0.000000