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_hP54_156_9a9b9c_9a9b9c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "Si"
      ]
    },
    "a": {
      "source-value": 3.0942,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        22.083123,
        0.027737996,
        0.10185281,
        0.25006394,
        0.95367302,
        0.36117442,
        0.80561884,
        0.4722888,
        0.69450991,
        0.58340023,
        0.22221393,
        0.33332381,
        0.07407983,
        0.44443225,
        0.99998277,
        0.55554715,
        0.66665413,
        0.77776987,
        0.92589232,
        0.65737804,
        0.5092664,
        0.73148577,
        0.43515581,
        0.8796954,
        0.13885487,
        0.99080585,
        0.28704109,
        0.21292166,
        0.96295221,
        0.70370561,
        0.2592665,
        0.40737461,
        0.85184069,
        0.48148442,
        0.62959668,
        0.11108069,
        0.18517325,
        0.76848619,
        0.064877279,
        0.17598852,
        0.32404073,
        0.39815432,
        0.54626724,
        0.62037798,
        0.84255183,
        0.91667359,
        0.5925992,
        0.51848559,
        0.74070728,
        0.037026739,
        0.81479934,
        0.370376,
        0.88889355,
        0.1481435,
        0.29626557
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_522834863618_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.11943257601344426 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 0.023772753686074018 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 16:44:57     -346.174717        0.249415
LBFGSLineSearch:    1 16:44:59     -346.183602        0.184491
LBFGSLineSearch:    2 16:45:02     -346.199099        0.214923
LBFGSLineSearch:    3 16:45:05     -346.219057        0.187660
LBFGSLineSearch:    4 16:45:07     -346.237046        0.180877
LBFGSLineSearch:    5 16:45:10     -346.244286        0.065414
LBFGSLineSearch:    6 16:45:12     -346.245885        0.027559
LBFGSLineSearch:    7 16:45:16     -346.246223        0.030375
LBFGSLineSearch:    8 16:45:17     -346.246313        0.013151
LBFGSLineSearch:    9 16:45:21     -346.246342        0.009259
LBFGSLineSearch:   10 16:45:25     -346.246361        0.009118
LBFGSLineSearch:   11 16:45:31     -346.246385        0.008693
LBFGSLineSearch:   12 16:45:35     -346.246398        0.008402
LBFGSLineSearch:   13 16:45:40     -346.246434        0.007508
LBFGSLineSearch:   14 16:45:45     -346.246487        0.018419
LBFGSLineSearch:   15 16:45:49     -346.246578        0.010723
LBFGSLineSearch:   16 16:45:55     -346.246610        0.011387
LBFGSLineSearch:   17 16:45:57     -346.246638        0.006322
LBFGSLineSearch:   18 16:45:59     -346.246647        0.004480
LBFGSLineSearch:   19 16:46:03     -346.246654        0.001889
LBFGSLineSearch:   20 16:46:07     -346.246655        0.001332
LBFGSLineSearch:   21 16:46:10     -346.246656        0.000959
LBFGSLineSearch:   22 16:46:14     -346.246656        0.000610
LBFGSLineSearch:   23 16:46:19     -346.246656        0.000693
LBFGSLineSearch:   24 16:46:23     -346.246656        0.000312
LBFGSLineSearch:   25 16:46:29     -346.246656        0.000336
LBFGSLineSearch:   26 16:46:34     -346.246656        0.000149
LBFGSLineSearch:   27 16:46:40     -346.246656        0.000221
LBFGSLineSearch:   28 16:46:45     -346.246656        0.000081
LBFGSLineSearch:   29 16:46:50     -346.246656        0.000091
LBFGSLineSearch:   30 16:46:53     -346.246656        0.000116
LBFGSLineSearch:   31 16:46:55     -346.246656        0.000020
LBFGSLineSearch:   32 16:46:59     -346.246656        0.000003