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_cP20_221_gj"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 5.215,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.26228631,
        0.15146094
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_258592798454_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 2.55379110995691 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 0.017026401560292028 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 16:16:21     -128.107648        3.611606
LBFGSLineSearch:    1 16:16:23     -128.995816        0.518353
LBFGSLineSearch:    2 16:16:25     -129.025341        0.280625
LBFGSLineSearch:    3 16:16:28     -129.038808        0.287244
LBFGSLineSearch:    4 16:16:31     -129.077720        0.194139
LBFGSLineSearch:    5 16:16:33     -129.084476        0.187098
LBFGSLineSearch:    6 16:16:37     -129.104360        0.055174
LBFGSLineSearch:    7 16:16:38     -129.104758        0.003835
LBFGSLineSearch:    8 16:16:39     -129.104761        0.000409
LBFGSLineSearch:    9 16:16:40     -129.104761        0.000002