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_hP20_156_4a3b3c_4a3b3c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "Si"
      ]
    },
    "a": {
      "source-value": 3.0941,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        8.1799231,
        0.27491466,
        0.4748928,
        0.67489327,
        0.87501291,
        0.80001665,
        0.59995858,
        0.39995549,
        0.19990981,
        0.17501274,
        0.57517517,
        0.9749142,
        0.89991171,
        0.49997354,
        0.10001454,
        0.77517566,
        0.37517381,
        0.075175348,
        0.29997456,
        0.99997257,
        0.69997199
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_868960065679_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.11615778754287032 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 0.02408388017648901 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 13:48:58     -128.212437        0.252685
LBFGSLineSearch:    1 13:48:59     -128.217956        0.182328
LBFGSLineSearch:    2 13:49:01     -128.231014        0.241510
LBFGSLineSearch:    3 13:49:03     -128.237128        0.129706
LBFGSLineSearch:    4 13:49:05     -128.238811        0.079487
LBFGSLineSearch:    5 13:49:07     -128.239272        0.028761
LBFGSLineSearch:    6 13:49:08     -128.239365        0.012982
LBFGSLineSearch:    7 13:49:09     -128.239391        0.011994
LBFGSLineSearch:    8 13:49:10     -128.239404        0.009071
LBFGSLineSearch:    9 13:49:12     -128.239415        0.008407
LBFGSLineSearch:   10 13:49:14     -128.239439        0.009845
LBFGSLineSearch:   11 13:49:15     -128.239462        0.012317
LBFGSLineSearch:   12 13:49:17     -128.239495        0.008409
LBFGSLineSearch:   13 13:49:18     -128.239500        0.003979
LBFGSLineSearch:   14 13:49:19     -128.239501        0.001489
LBFGSLineSearch:   15 13:49:20     -128.239501        0.002198
LBFGSLineSearch:   16 13:49:22     -128.239502        0.001025
LBFGSLineSearch:   17 13:49:23     -128.239502        0.000395
LBFGSLineSearch:   18 13:49:23     -128.239502        0.000078
LBFGSLineSearch:   19 13:49:25     -128.239502        0.000155
LBFGSLineSearch:   20 13:49:26     -128.239502        0.000116
LBFGSLineSearch:   21 13:49:26     -128.239502        0.000092
LBFGSLineSearch:   22 13:49:27     -128.239502        0.000079
LBFGSLineSearch:   23 13:49:29     -128.239502        0.000017
LBFGSLineSearch:   24 13:49:30     -128.239502        0.000003