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_hP12_194_e2f"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.5213,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        4.9308293,
        0.18686753,
        0.52076763,
        0.6450971
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_161237649242_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.38910690659010294 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 0.3182677417599205 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 16:16:15      -87.430021        1.815246
LBFGSLineSearch:    1 16:16:18      -87.891679        1.311136
LBFGSLineSearch:    2 16:16:19      -88.293957        1.110974
LBFGSLineSearch:    3 16:16:21      -88.454250        0.790013
LBFGSLineSearch:    4 16:16:22      -88.508392        0.122044
LBFGSLineSearch:    5 16:16:23      -88.509996        0.024878
LBFGSLineSearch:    6 16:16:27      -88.510053        0.027943
LBFGSLineSearch:    7 16:16:30      -88.510110        0.030627
LBFGSLineSearch:    8 16:16:33      -88.510252        0.013891
LBFGSLineSearch:    9 16:16:36      -88.510262        0.000745
LBFGSLineSearch:   10 16:16:38      -88.510262        0.000259
LBFGSLineSearch:   11 16:16:40      -88.510262        0.000002