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_oC16_65_pq"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 4.2547,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        2.0610619,
        0.59089948,
        0.18519352,
        0.16660457,
        0.18446938,
        0.41082374
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_107978512998_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 3.727911112291996 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 0.29036067021212286 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      -54.057532        4.482090
LBFGSLineSearch:    1 16:16:17      -54.616056        1.241878
LBFGSLineSearch:    2 16:16:20      -54.945444        0.846835
LBFGSLineSearch:    3 16:16:22      -55.042345        0.473395
LBFGSLineSearch:    4 16:16:24      -55.066250        0.649286
LBFGSLineSearch:    5 16:16:28      -55.090807        0.497528
LBFGSLineSearch:    6 16:16:31      -55.172250        0.688916
LBFGSLineSearch:    7 16:16:33      -55.230286        1.065213
LBFGSLineSearch:    8 16:16:35      -55.283687        0.743472
LBFGSLineSearch:    9 16:16:36      -55.363423        0.800681
LBFGSLineSearch:   10 16:16:39      -55.441584        0.454090
LBFGSLineSearch:   11 16:16:41      -55.454245        0.235636
LBFGSLineSearch:   12 16:16:43      -55.461419        0.136426
LBFGSLineSearch:   13 16:16:45      -55.463272        0.113422
LBFGSLineSearch:   14 16:16:48      -55.463841        0.082745
LBFGSLineSearch:   15 16:16:52      -55.465825        0.048103
LBFGSLineSearch:   16 16:16:55      -55.466148        0.004753
LBFGSLineSearch:   17 16:16:58      -55.466152        0.000593
LBFGSLineSearch:   18 16:17:01      -55.466152        0.000071
LBFGSLineSearch:   19 16:17:04      -55.466152        0.000001