Model name?
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ba__MO_676977998912_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_cI2_229_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "Ba"
      ]
    },
    "a": {
      "source-value": 5.0183,
      "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_446346573358_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_912636032173_000",
      "RD_729877913409_000",
      "RD_999440647289_000",
      "RD_150947140005_000",
      "RD_943086778031_000",
      "RD_268797208535_000",
      "RD_342190200735_000"
    ]
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 21:00:00       -1.768540        0.016696
LBFGSLineSearch:    1 21:00:00       -1.768576        0.002941
LBFGSLineSearch:    2 21:00:00       -1.768577        0.000014
LBFGSLineSearch:    3 21:00:00       -1.768577        0.000000