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_cP1_221_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "Ba"
      ]
    },
    "a": {
      "source-value": 3.9588,
      "source-unit": "angstrom"
    },
    "library-prototype-label": {
      "source-value": "A_cP1_221_a"
    },
    "short-name": {
      "source-value": "alpha-Po"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_723387409143_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_683053930988_000"
    ]
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 21:45:42       -1.433102        0.481907
LBFGSLineSearch:    1 21:45:42       -1.462407        0.095023
LBFGSLineSearch:    2 21:45:42       -1.463942        0.022409
LBFGSLineSearch:    3 21:45:42       -1.464018        0.003012
LBFGSLineSearch:    4 21:45:42       -1.464019        0.000024
LBFGSLineSearch:    5 21:45:42       -1.464019        0.000000