Model name?
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_K__MO_202712315930_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_hP3_191_ad"
    },
    "stoichiometric-species": {
      "source-value": [
        "K"
      ]
    },
    "a": {
      "source-value": 5.4143,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.1679996
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_080353609344_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 17:01:44       -1.613356        1.048727
LBFGSLineSearch:    1 17:01:44       -2.263979        0.391448
LBFGSLineSearch:    2 17:01:44       -2.370704        0.481490
LBFGSLineSearch:    3 17:01:44       -2.405582        0.535048
LBFGSLineSearch:    4 17:01:44       -2.415907        0.554500
LBFGSLineSearch:    5 17:01:44       -2.687457        0.246822
LBFGSLineSearch:    6 17:01:44       -2.735216        0.100935
LBFGSLineSearch:    7 17:01:44       -2.744384        0.019945
LBFGSLineSearch:    8 17:01:44       -2.744553        0.006694
LBFGSLineSearch:    9 17:01:44       -2.744574        0.000084
LBFGSLineSearch:   10 17:01:44       -2.744574        0.000001