Model name?
Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_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_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 23:05:16       -3.399828        0.947473
LBFGSLineSearch:    1 23:05:17       -3.416752        0.183427
LBFGSLineSearch:    2 23:05:18       -3.417407        0.060694
LBFGSLineSearch:    3 23:05:18       -3.417508        0.006706
LBFGSLineSearch:    4 23:05:19       -3.417509        0.000232
LBFGSLineSearch:    5 23:05:20       -3.417509        0.000005