Model name?
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ba__MO_229241184339_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_hP2_194_c"
    },
    "stoichiometric-species": {
      "source-value": [
        "Ba"
      ]
    },
    "a": {
      "source-value": 4.4642,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.6428923
      ]
    },
    "library-prototype-label": {
      "source-value": "A_hP2_194_c-001"
    },
    "short-name": {
      "source-value": "Hexagonal Close Packed"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_268732569956_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_701501847481_000"
    ]
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 13:09:34       -3.496182        0.053957
LBFGSLineSearch:    1 13:09:34       -3.496730        0.012666
LBFGSLineSearch:    2 13:09:34       -3.496752        0.000076
LBFGSLineSearch:    3 13:09:34       -3.496752        0.000005