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_hP2_194_c"
    },
    "stoichiometric-species": {
      "source-value": [
        "Fe"
      ]
    },
    "a": {
      "source-value": 2.4403,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.5759538
      ]
    },
    "library-prototype-label": {
      "source-value": "A_hP2_194_c-001"
    },
    "short-name": {
      "source-value": "Hexagonal Close Packed"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_727881181226_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_449759849635_000",
      "RD_991070543618_000"
    ]
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 12:23:42       -8.091340        3.130864
LBFGSLineSearch:    1 12:23:44       -8.504040        0.539717
LBFGSLineSearch:    2 12:23:45       -8.522550        0.194162
LBFGSLineSearch:    3 12:23:47       -8.524182        0.143161
LBFGSLineSearch:    4 12:23:48       -8.525580        0.123264
LBFGSLineSearch:    5 12:23:49       -8.526184        0.045894
LBFGSLineSearch:    6 12:23:50       -8.526283        0.000540
LBFGSLineSearch:    7 12:23:50       -8.526283        0.000002