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": "AB_hP28_156_5a5b4c_5a5b4c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "Si"
      ]
    },
    "a": {
      "source-value": 3.0947,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        11.445794,
        0.12500581,
        0.3394197,
        0.55370349,
        0.9820652,
        0.76799098,
        0.92850683,
        0.71427041,
        0.49998105,
        0.28569517,
        0.071448827,
        0.8392917,
        0.053701694,
        0.26778602,
        0.41071898,
        0.69635676,
        0.99998378,
        0.21422164,
        0.35715942,
        0.64279114,
        0.78573303,
        0.48206864,
        0.62500602,
        0.91073311,
        0.19645099,
        0.14283871,
        0.42850091,
        0.57144885,
        0.85712116
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_420606639572_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.10468924058479345 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 0.022743222966879164 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 13:51:03     -179.498669        0.238631
LBFGSLineSearch:    1 13:51:04     -179.504079        0.186776
LBFGSLineSearch:    2 13:51:06     -179.521754        0.211372
LBFGSLineSearch:    3 13:51:07     -179.530597        0.167644
LBFGSLineSearch:    4 13:51:09     -179.533786        0.085687
LBFGSLineSearch:    5 13:51:11     -179.534740        0.051074
LBFGSLineSearch:    6 13:51:14     -179.535036        0.023996
LBFGSLineSearch:    7 13:51:17     -179.535164        0.022777
LBFGSLineSearch:    8 13:51:19     -179.535208        0.012254
LBFGSLineSearch:    9 13:51:21     -179.535225        0.006809
LBFGSLineSearch:   10 13:51:24     -179.535230        0.006768
LBFGSLineSearch:   11 13:51:26     -179.535238        0.005819
LBFGSLineSearch:   12 13:51:29     -179.535246        0.006582
LBFGSLineSearch:   13 13:51:33     -179.535270        0.006914
LBFGSLineSearch:   14 13:51:36     -179.535284        0.005352
LBFGSLineSearch:   15 13:51:39     -179.535295        0.007554
LBFGSLineSearch:   16 13:51:41     -179.535301        0.002845
LBFGSLineSearch:   17 13:51:43     -179.535303        0.001063
LBFGSLineSearch:   18 13:51:45     -179.535303        0.000256
LBFGSLineSearch:   19 13:51:49     -179.535303        0.000444
LBFGSLineSearch:   20 13:51:52     -179.535303        0.000240
LBFGSLineSearch:   21 13:51:56     -179.535303        0.000022
LBFGSLineSearch:   22 13:51:59     -179.535303        0.000022
LBFGSLineSearch:   23 13:52:03     -179.535303        0.000031
LBFGSLineSearch:   24 13:52:07     -179.535303        0.000025
LBFGSLineSearch:   25 13:52:09     -179.535303        0.000018
LBFGSLineSearch:   26 13:52:12     -179.535303        0.000012
LBFGSLineSearch:   27 13:52:14     -179.535303        0.000002