Model name?
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_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 0.5292066359469423 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 0.2264645347354723 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      -28.341263        1.500558
LBFGSLineSearch:    1 16:16:18      -28.507920        1.176742
LBFGSLineSearch:    2 16:16:21      -28.593692        0.671666
LBFGSLineSearch:    3 16:16:23      -28.614870        0.540647
LBFGSLineSearch:    4 16:16:25      -28.653605        0.343173
LBFGSLineSearch:    5 16:16:26      -28.655920        0.077815
LBFGSLineSearch:    6 16:16:26      -28.656048        0.021529
LBFGSLineSearch:    7 16:16:29      -28.656069        0.020790
LBFGSLineSearch:    8 16:16:31      -28.656116        0.005652
LBFGSLineSearch:    9 16:16:32      -28.656118        0.000033
LBFGSLineSearch:   10 16:16:35      -28.656118        0.000003