Model name?
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
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_oC8_65_gh"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 7.8193,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.34531224,
        0.32109012,
        0.5860263,
        0.68934767
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_893776561221_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 8.11464270980459 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 0.21132858532622123 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 16:16:22      -28.471837        8.114643
LBFGSLineSearch:    1 16:16:24      -28.866377        2.940075
LBFGSLineSearch:    2 16:16:26      -28.978635        1.781585
LBFGSLineSearch:    3 16:16:28      -29.051924        1.084339
LBFGSLineSearch:    4 16:16:30      -29.147871        0.645472
LBFGSLineSearch:    5 16:16:31      -29.177463        0.923623
LBFGSLineSearch:    6 16:16:32      -29.189593        0.068415
LBFGSLineSearch:    7 16:16:34      -29.189711        0.017303
LBFGSLineSearch:    8 16:16:36      -29.189721        0.009050
LBFGSLineSearch:    9 16:16:37      -29.189725        0.003696
LBFGSLineSearch:   10 16:16:38      -29.189725        0.000003