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_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 12:08:04       -1.575968        0.475178
LBFGSLineSearch:    1 12:08:04       -1.588119        0.066672
LBFGSLineSearch:    2 12:08:05       -1.588454        0.037944
LBFGSLineSearch:    3 12:08:05       -1.588516        0.027978
LBFGSLineSearch:    4 12:08:05       -1.588552        0.020632
LBFGSLineSearch:    5 12:08:05       -1.588571        0.004387
LBFGSLineSearch:    6 12:08:05       -1.588571        0.000448
LBFGSLineSearch:    7 12:08:05       -1.588571        0.000035
LBFGSLineSearch:    8 12:08:06       -1.588571        0.000001