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_hP2_191_c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.4677,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.6162824
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_339218640688_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  },
  {
    "prototype-label": {
      "source-value": "A_hP2_191_c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.4647,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.3417049
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_349496902978_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 10:39:01      -14.579428        2.502212
LBFGSLineSearch:    1 10:39:04      -14.747965        0.002726
LBFGSLineSearch:    2 10:39:06      -14.747965        0.000266
LBFGSLineSearch:    3 10:39:08      -14.747965        0.000000
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 10:39:36      -14.567018        2.598717
LBFGSLineSearch:    1 10:39:37      -14.706928        1.194007
LBFGSLineSearch:    2 10:39:37      -14.747587        0.111097
LBFGSLineSearch:    3 10:39:38      -14.747964        0.005594
LBFGSLineSearch:    4 10:39:38      -14.747965        0.000029
LBFGSLineSearch:    5 10:39:39      -14.747965        0.000000