Model name?
Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_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_oC8_65_gh"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 7.8193,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.34531224,
        0.32109012,
        0.5860263,
        0.68934767
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_893776561221_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 2.011297946886676 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 11:04:56      -33.179058        8.211502
LBFGSLineSearch:    1 11:05:02      -33.378862        3.277096
LBFGSLineSearch:    2 11:05:07      -33.426234        1.100803
LBFGSLineSearch:    3 11:05:11      -33.439993        0.172057
LBFGSLineSearch:    4 11:05:18      -33.440746        0.110370
LBFGSLineSearch:    5 11:05:21      -33.440951        0.061318
LBFGSLineSearch:    6 11:05:24      -33.441121        0.133762
LBFGSLineSearch:    7 11:05:28      -33.441455        0.053328
LBFGSLineSearch:    8 11:05:29      -33.441499        0.016196
LBFGSLineSearch:    9 11:05:30      -33.441509        0.012189
LBFGSLineSearch:   10 11:05:31      -33.441521        0.025182
LBFGSLineSearch:   11 11:05:32      -33.441539        0.000937
LBFGSLineSearch:   12 11:05:34      -33.441539        0.000032
LBFGSLineSearch:   13 11:05:35      -33.441539        0.000000