Model name?
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_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_cF4_225_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "Ta"
      ]
    },
    "a": {
      "source-value": 4.2656,
      "source-unit": "angstrom"
    },
    "library-prototype-label": {
      "source-value": "A_cF4_225_a"
    },
    "short-name": {
      "source-value": "Face-Centered Cubic"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_354538792265_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 12:58:17       -7.974245        0.210746
LBFGSLineSearch:    1 12:58:17       -7.975521        0.073092
LBFGSLineSearch:    2 12:58:17       -7.975703        0.003376
LBFGSLineSearch:    3 12:58:18       -7.975704        0.000058
LBFGSLineSearch:    4 12:58:18       -7.975704        0.000000