Model name?
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_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_cI8_214_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 4.1243,
      "source-unit": "angstrom"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_789029124638_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_880666491584_000"
    ]
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 16:16:20      -31.766426       12.786204
LBFGSLineSearch:    1 16:16:21      -33.054192        0.449351
LBFGSLineSearch:    2 16:16:21      -33.062270        0.148322
LBFGSLineSearch:    3 16:16:21      -33.062723        0.003315
LBFGSLineSearch:    4 16:16:21      -33.062723        0.000391
LBFGSLineSearch:    5 16:16:22      -33.062723        0.000000