Model name?
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_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 6.696875803321649 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 0.21039309005016102 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 11:04:02      -28.611219        6.696876
LBFGSLineSearch:    1 11:04:03      -28.908813        2.099207
LBFGSLineSearch:    2 11:04:03      -28.996794        1.197323
LBFGSLineSearch:    3 11:04:04      -29.117876        1.030063
LBFGSLineSearch:    4 11:04:06      -29.147059        0.748598
LBFGSLineSearch:    5 11:04:09      -29.174914        0.521124
LBFGSLineSearch:    6 11:04:10      -29.180848        0.109213
LBFGSLineSearch:    7 11:04:11      -29.181113        0.014094
LBFGSLineSearch:    8 11:04:12      -29.181120        0.010673
LBFGSLineSearch:    9 11:04:13      -29.181121        0.001815
LBFGSLineSearch:   10 11:04:13      -29.181122        0.000003