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_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"
    ]
  }
]

NOTE: The configuration you provided has a maximum stress component 1.0894646775077976 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 16:16:16       -5.476266        6.082386
LBFGSLineSearch:    1 16:16:19       -5.735063        1.119642
LBFGSLineSearch:    2 16:16:20       -5.735412        0.167876
LBFGSLineSearch:    3 16:16:21       -5.735419        0.004928
LBFGSLineSearch:    4 16:16:21       -5.735419        0.000000