Model name?
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cr__MO_859700307573_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_cP8_223_ac"
    },
    "stoichiometric-species": {
      "source-value": [
        "Cr"
      ]
    },
    "a": {
      "source-value": 4.577,
      "source-unit": "angstrom"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_585538196383_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  },
  {
    "prototype-label": {
      "source-value": "A_cP8_223_ac"
    },
    "stoichiometric-species": {
      "source-value": [
        "Cr"
      ]
    },
    "a": {
      "source-value": 5.5603,
      "source-unit": "angstrom"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_490181025830_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 12:57:21      -29.923522        0.180096
LBFGSLineSearch:    1 12:57:22      -29.932402        0.000012
LBFGSLineSearch:    2 12:57:22      -29.932402        0.000000
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 12:57:46      -19.925310        3.016946
LBFGSLineSearch:    1 12:57:46      -29.262861        1.361246
LBFGSLineSearch:    2 12:57:46      -29.843430        0.537554
LBFGSLineSearch:    3 12:57:46      -29.928407        0.120274
LBFGSLineSearch:    4 12:57:46      -29.932381        0.008660
LBFGSLineSearch:    5 12:57:46      -29.932402        0.000114
LBFGSLineSearch:    6 12:57:47      -29.932402        0.000000