Model name?
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_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_cI2_229_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "Ti"
      ]
    },
    "a": {
      "source-value": 3.397,
      "source-unit": "angstrom"
    },
    "library-prototype-label": {
      "source-value": "A_cI2_229_a"
    },
    "short-name": {
      "source-value": "Body-Centered Cubic"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_719348212458_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_802546231287_000",
      "RD_580065734361_000",
      "RD_385637919514_000",
      "RD_174669587901_000"
    ]
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 21:10:57       -4.667453        2.191254
LBFGSLineSearch:    1 21:10:57       -4.783885        0.283069
LBFGSLineSearch:    2 21:10:57       -4.785886        0.010896
LBFGSLineSearch:    3 21:10:57       -4.785890        0.004043
LBFGSLineSearch:    4 21:10:57       -4.785890        0.000004