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_hP4_194_bc"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.4677,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        3.3769097
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_887432442932_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_774446942430_000",
      "RD_195752807591_000",
      "RD_573878612610_000",
      "RD_845842035700_000",
      "RD_996349031729_000",
      "RD_698985544915_000",
      "RD_667445694129_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum stress component 0.01716783135784495 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 10:45:25      -34.210298        8.343153
LBFGSLineSearch:    1 10:45:35      -34.944424        2.476124
LBFGSLineSearch:    2 10:45:40      -35.293769        0.492762
LBFGSLineSearch:    3 10:45:40      -35.294061        0.182593
LBFGSLineSearch:    4 10:45:42      -35.307475        3.323441
LBFGSLineSearch:    5 10:45:44      -35.408427        4.907297
LBFGSLineSearch:    6 10:45:45      -35.431975        2.193655
LBFGSLineSearch:    7 10:45:45      -35.439968        0.051816
LBFGSLineSearch:    8 10:45:45      -35.439976        0.004790
LBFGSLineSearch:    9 10:45:46      -35.439976        0.000104
LBFGSLineSearch:   10 10:45:46      -35.439976        0.000001