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_hP42_156_7a7b7c_7a7b7c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "Si"
      ]
    },
    "a": {
      "source-value": 3.0948,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        17.16993,
        0.035795695,
        0.75001146,
        0.17865604,
        0.89293731,
        0.32151123,
        0.60722224,
        0.46436731,
        0.0,
        0.71427542,
        0.57142009,
        0.85713501,
        0.14284678,
        0.42856204,
        0.28570317,
        0.7023923,
        0.94047795,
        0.84518945,
        0.51190629,
        0.41662026,
        0.22619687,
        0.13090658,
        0.66665864,
        0.80948712,
        0.476198,
        0.095200242,
        0.9047721,
        0.19048242,
        0.38091508,
        0.083336502,
        0.98804706,
        0.79762317,
        0.6547704,
        0.55947403,
        0.36905128,
        0.27376468,
        0.33333903,
        0.2380573,
        0.047625475,
        0.52377299,
        0.61905942,
        0.76189207,
        0.95234763
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_179411225993_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.10001059961304114 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 0.022859599351742154 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 15:19:13     -269.247083        0.239892
LBFGSLineSearch:    1 15:19:15     -269.253205        0.189583
LBFGSLineSearch:    2 15:19:19     -269.275267        0.215339
LBFGSLineSearch:    3 15:19:23     -269.289501        0.210029
LBFGSLineSearch:    4 15:19:27     -269.299962        0.115347
LBFGSLineSearch:    5 15:19:29     -269.302393        0.053535
LBFGSLineSearch:    6 15:19:32     -269.302685        0.026938
LBFGSLineSearch:    7 15:19:37     -269.302771        0.019528
LBFGSLineSearch:    8 15:19:39     -269.302795        0.011301
LBFGSLineSearch:    9 15:19:42     -269.302807        0.007754
LBFGSLineSearch:   10 15:19:46     -269.302816        0.009620
LBFGSLineSearch:   11 15:19:50     -269.302830        0.005776
LBFGSLineSearch:   12 15:19:55     -269.302839        0.007596
LBFGSLineSearch:   13 15:20:00     -269.302875        0.010446
LBFGSLineSearch:   14 15:20:05     -269.302899        0.010206
LBFGSLineSearch:   15 15:20:10     -269.302925        0.007563
LBFGSLineSearch:   16 15:20:14     -269.302935        0.008342
LBFGSLineSearch:   17 15:20:18     -269.302948        0.003848
LBFGSLineSearch:   18 15:20:22     -269.302951        0.002454
LBFGSLineSearch:   19 15:20:25     -269.302954        0.001508
LBFGSLineSearch:   20 15:20:29     -269.302954        0.001278
LBFGSLineSearch:   21 15:20:33     -269.302955        0.001124
LBFGSLineSearch:   22 15:20:36     -269.302955        0.000705
LBFGSLineSearch:   23 15:20:40     -269.302955        0.000354
LBFGSLineSearch:   24 15:20:43     -269.302955        0.000054
LBFGSLineSearch:   25 15:20:47     -269.302955        0.000034
LBFGSLineSearch:   26 15:20:50     -269.302955        0.000094
LBFGSLineSearch:   27 15:20:53     -269.302955        0.000044
LBFGSLineSearch:   28 15:20:56     -269.302955        0.000027
LBFGSLineSearch:   29 15:20:59     -269.302955        0.000009