Model name?
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cr__MO_483480726117_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 13:05:35      -28.020472        0.537375
LBFGSLineSearch:    1 13:05:35      -28.095737        0.000302
LBFGSLineSearch:    2 13:05:35      -28.095737        0.000017
LBFGSLineSearch:    3 13:05:35      -28.095737        0.000000
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 13:06:03      -18.875123        2.852626
LBFGSLineSearch:    1 13:06:03      -27.617002        1.172064
LBFGSLineSearch:    2 13:06:03      -28.069532        0.298001
LBFGSLineSearch:    3 13:06:03      -28.094893        0.054996
LBFGSLineSearch:    4 13:06:03      -28.095736        0.001963
LBFGSLineSearch:    5 13:06:04      -28.095737        0.000012
LBFGSLineSearch:    6 13:06:04      -28.095737        0.000000