Model name?
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_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_hP12_194_bc2f"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.4678,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        13.950077,
        0.86916696,
        0.13083843
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_067110567700_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.026174805438846118 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.


NOTE: The configuration you provided has a maximum stress component 0.08527279201583926 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 10:35:06      -89.053112        1.290228
LBFGSLineSearch:    1 10:36:03      -89.375141        0.073101
LBFGSLineSearch:    2 10:36:19      -89.376111        0.072949
LBFGSLineSearch:    3 10:36:40      -89.384513        0.073796
LBFGSLineSearch:    4 10:36:48      -89.485126        0.175317
LBFGSLineSearch:    5 10:36:51      -89.492540        0.198545
LBFGSLineSearch:    6 10:36:54      -89.502213        0.132640
LBFGSLineSearch:    7 10:36:55      -89.505857        0.100902
LBFGSLineSearch:    8 10:37:02      -89.509150        0.072224
LBFGSLineSearch:    9 10:37:05      -89.510148        0.027695
LBFGSLineSearch:   10 10:37:07      -89.510303        0.000646
LBFGSLineSearch:   11 10:37:08      -89.510303        0.000915
LBFGSLineSearch:   12 10:37:11      -89.510303        0.000814
LBFGSLineSearch:   13 10:37:14      -89.510307        0.000824

The minimization failed to converge. See kim-tools.log for more info