Model name?
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
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_hP16_194_e3f"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.5225,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        6.564004,
        0.046707512,
        0.57788125,
        0.67123739,
        0.29740429
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_680212468769_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 2.1116142926436905 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 0.12192775055814215 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 10:40:11     -117.847895        2.111614
LBFGSLineSearch:    1 10:40:25     -117.907949        0.305988
LBFGSLineSearch:    2 10:40:41     -117.909916        0.202232
LBFGSLineSearch:    3 10:40:47     -117.913519        0.209230
LBFGSLineSearch:    4 10:40:51     -117.914553        0.161838
LBFGSLineSearch:    5 10:40:58     -117.915539        0.169091
LBFGSLineSearch:    6 10:41:03     -117.919625        0.054275
LBFGSLineSearch:    7 10:41:07     -117.919975        0.008039
LBFGSLineSearch:    8 10:41:12     -117.919987        0.012516
LBFGSLineSearch:    9 10:41:15     -117.920000        0.000572
LBFGSLineSearch:   10 10:41:16     -117.920000        0.000005