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_oP16_62_4c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 9.0838,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.27794535,
        0.45742971,
        0.80509054,
        0.074368855,
        0.18951676,
        0.70009446,
        0.5207376,
        0.90843723,
        0.46345886,
        0.56850299
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_296635253471_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 2.407326637947919 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 0.2742929905295409 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 14:20:10     -108.601520        3.394440
LBFGSLineSearch:    1 14:21:08     -108.959454        1.320911
LBFGSLineSearch:    2 14:21:37     -109.061825        1.320764
LBFGSLineSearch:    3 14:22:00     -109.193037        1.246170
LBFGSLineSearch:    4 14:22:27     -109.429112        1.553170
LBFGSLineSearch:    5 14:22:53     -109.636615        1.631720
LBFGSLineSearch:    6 14:23:13     -109.716937        0.537912
LBFGSLineSearch:    7 14:23:25     -109.729122        0.177080
LBFGSLineSearch:    8 14:23:32     -109.732886        0.112202
LBFGSLineSearch:    9 14:23:43     -109.735876        0.138529
LBFGSLineSearch:   10 14:24:03     -109.738870        0.075451
LBFGSLineSearch:   11 14:24:12     -109.739207        0.082573
LBFGSLineSearch:   12 14:24:17     -109.740947        0.112461
LBFGSLineSearch:   13 14:24:19     -109.741787        0.029941
LBFGSLineSearch:   14 14:24:20     -109.741868        0.011527
LBFGSLineSearch:   15 14:24:24     -109.741897        0.013882
LBFGSLineSearch:   16 14:24:26     -109.741912        0.006281
LBFGSLineSearch:   17 14:24:28     -109.741916        0.000154
LBFGSLineSearch:   18 14:24:32     -109.741916        0.000005