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_hP1_191_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "Ba"
      ]
    },
    "a": {
      "source-value": 4.2709,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.92493385
      ]
    },
    "library-prototype-label": {
      "source-value": "A_hP1_191_a-001"
    },
    "short-name": {
      "source-value": "Simple Hexagonal Lattice"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_684141401405_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 13:07:26       -1.601411        0.449709
LBFGSLineSearch:    1 13:07:26       -1.611852        0.063790
LBFGSLineSearch:    2 13:07:26       -1.612125        0.038410
LBFGSLineSearch:    3 13:07:26       -1.612208        0.032849
LBFGSLineSearch:    4 13:07:26       -1.612251        0.000082
LBFGSLineSearch:    5 13:07:26       -1.612251        0.000000