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_cF4_225_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "Ba"
      ]
    },
    "a": {
      "source-value": 6.3471,
      "source-unit": "angstrom"
    },
    "library-prototype-label": {
      "source-value": "A_cF4_225_a"
    },
    "short-name": {
      "source-value": "Face-Centered Cubic"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_509013282792_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 16:45:08       -1.773161        0.027093
LBFGSLineSearch:    1 16:45:08       -1.773255        0.005077
LBFGSLineSearch:    2 16:45:08       -1.773258        0.000041
LBFGSLineSearch:    3 16:45:08       -1.773258        0.000000