Model name?
Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
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_tP1_123_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "Fe"
      ]
    },
    "a": {
      "source-value": 2.2256,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.0359004
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_398122191737_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 22:05:18       -3.152118        1.319952
LBFGSLineSearch:    1 22:05:19       -3.169923        0.394843
LBFGSLineSearch:    2 22:05:19       -3.172576        0.023569
LBFGSLineSearch:    3 22:05:19       -3.172588        0.000291
LBFGSLineSearch:    4 22:05:19       -3.172588        0.000028
LBFGSLineSearch:    5 22:05:19       -3.172588        0.000000