Model name?
Sim_LAMMPS_BOP_ZhouWardFoster_2018_AlCuH__SM_834012669168_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_cI2_229_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "Al"
      ]
    },
    "a": {
      "source-value": 3.233,
      "source-unit": "angstrom"
    },
    "library-prototype-label": {
      "source-value": "A_cI2_229_a"
    },
    "short-name": {
      "source-value": "Body-Centered Cubic"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_833152740329_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 13:18:50       -3.300936        0.233573
LBFGSLineSearch:    1 13:18:50       -3.304634        0.000134
LBFGSLineSearch:    2 13:18:50       -3.304634        0.000000