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_hP16_194_e3f"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.5225,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        6.564004,
        0.046707512,
        0.57788125,
        0.67123739,
        0.29740429
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_680212468769_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.38868638823902657 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 0.31110472913243403 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 10:40:00     -116.583712        1.774106
LBFGSLineSearch:    1 10:40:18     -117.061098        1.403671
LBFGSLineSearch:    2 10:40:28     -117.712701        1.708587
LBFGSLineSearch:    3 10:40:38     -117.920652        0.802703
LBFGSLineSearch:    4 10:40:43     -117.993257        0.435525
LBFGSLineSearch:    5 10:40:44     -118.007807        0.245437
LBFGSLineSearch:    6 10:40:44     -118.013405        0.040196
LBFGSLineSearch:    7 10:40:45     -118.013520        0.021723
LBFGSLineSearch:    8 10:40:48     -118.013537        0.020723
LBFGSLineSearch:    9 10:41:00     -118.013580        0.024257
LBFGSLineSearch:   10 10:41:05     -118.013682        0.005645
LBFGSLineSearch:   11 10:41:09     -118.013683        0.001728
LBFGSLineSearch:   12 10:41:12     -118.013683        0.000004