Model name?
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_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": [
        "Mo"
      ]
    },
    "a": {
      "source-value": 2.7779,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.90949998
      ]
    },
    "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_975706346264_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 13:09:33       -5.323578        4.413591
LBFGSLineSearch:    1 13:09:33       -5.400125        1.694197
LBFGSLineSearch:    2 13:09:33       -5.422411        0.275679
LBFGSLineSearch:    3 13:09:33       -5.422930        0.027593
LBFGSLineSearch:    4 13:09:33       -5.422935        0.000364
LBFGSLineSearch:    5 13:09:33       -5.422935        0.000001