Model name?
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_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_cP1_221_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 1.774,
      "source-unit": "angstrom"
    },
    "library-prototype-label": {
      "source-value": "A_cP1_221_a"
    },
    "short-name": {
      "source-value": "alpha-Po"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_264533273680_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_895883518403_000",
      "RD_640053269289_000"
    ]
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 16:16:15       -5.461177       13.117778
LBFGSLineSearch:    1 16:16:17       -5.740436        1.023868
LBFGSLineSearch:    2 16:16:19       -5.740585        0.020924
LBFGSLineSearch:    3 16:16:21       -5.740585        0.000007