Model name?
SW_LeeHwang_2012GGA_Si__MO_040570764911_001
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_tI4_141_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "Si"
      ]
    },
    "a": {
      "source-value": 4.8146,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.54949529
      ]
    },
    "library-prototype-label": {
      "source-value": "A_tI4_141_a-001"
    },
    "short-name": {
      "source-value": "betaSn"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_836155795862_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_542335592260_000",
      "RD_881662876123_000"
    ]
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 18:46:30       -2.946930       11.632011
LBFGSLineSearch:    1 18:46:30       -4.682857        0.444147
LBFGSLineSearch:    2 18:46:30       -4.686476        0.248447
LBFGSLineSearch:    3 18:46:30       -4.696432        0.009839
LBFGSLineSearch:    4 18:46:30       -4.696434        0.000146
LBFGSLineSearch:    5 18:46:30       -4.696434        0.000071
LBFGSLineSearch:    6 18:46:30       -4.696434        0.000001