Model name?
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_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": "A3B4_cF56_227_ad_e"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "N"
      ]
    },
    "a": {
      "source-value": 6.7818,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.74413816
      ]
    },
    "library-prototype-label": {
      "source-value": "A3B4_cF56_227_ad_e-001"
    },
    "short-name": {
      "source-value": "Spinel"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_787828103131_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_076427527600_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum force component 0.07509232126388121 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 0.06697359756383689 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 14:29:41      -91.787357        0.373036
LBFGSLineSearch:    1 14:29:43      -91.811478        0.302185
LBFGSLineSearch:    2 14:29:45      -91.841214        0.411356
LBFGSLineSearch:    3 14:29:46      -91.856764        0.172893
LBFGSLineSearch:    4 14:29:47      -91.860158        0.001411
LBFGSLineSearch:    5 14:29:48      -91.860159        0.000015
LBFGSLineSearch:    6 14:29:49      -91.860159        0.000000