Model name?
DUNN_WenTadmor_2019v3_C__MO_714772088128_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_oC16_65_pq"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 4.2547,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        2.0610619,
        0.59089948,
        0.18519352,
        0.16660457,
        0.18446938,
        0.41082374
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_107978512998_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 1.4213874884364948 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 0.16283820679662986 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 10:54:10      -63.141966        1.463894
LBFGSLineSearch:    1 10:54:13      -63.408409        0.670442
LBFGSLineSearch:    2 10:54:16      -63.492423        0.340449
LBFGSLineSearch:    3 10:54:18      -63.519734        0.094212
LBFGSLineSearch:    4 10:54:20      -63.520906        0.098408
LBFGSLineSearch:    5 10:54:23      -63.521704        0.107151
LBFGSLineSearch:    6 10:54:26      -63.522778        0.064485
LBFGSLineSearch:    7 10:54:30      -63.524463        0.034372
LBFGSLineSearch:    8 10:54:33      -63.524596        0.014095
LBFGSLineSearch:    9 10:54:35      -63.524608        0.010865
LBFGSLineSearch:   10 10:54:38      -63.524624        0.011583
LBFGSLineSearch:   11 10:54:40      -63.524646        0.008005
LBFGSLineSearch:   12 10:54:44      -63.524664        0.001459
LBFGSLineSearch:   13 10:54:46      -63.524664        0.000012
LBFGSLineSearch:   14 10:54:50      -63.524664        0.000000