Model name?
ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_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_cP46_223_cik"
    },
    "stoichiometric-species": {
      "source-value": [
        "Si"
      ]
    },
    "a": {
      "source-value": 10.227,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.68367841,
        0.30783925,
        0.1171895
      ]
    },
    "library-prototype-label": {
      "source-value": "A_cP46_223_dik-001"
    },
    "short-name": {
      "source-value": "Si46 Clathrate"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_869027127490_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_344274840703_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum force component 0.13279075661248463 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 17:08:35     -209.612678        0.265787
LBFGSLineSearch:    1 17:08:36     -209.647249        0.236332
LBFGSLineSearch:    2 17:08:37     -209.653273        0.221626
LBFGSLineSearch:    3 17:08:38     -209.663832        0.179905
LBFGSLineSearch:    4 17:08:40     -209.707894        0.129666
LBFGSLineSearch:    5 17:08:42     -209.730982        0.166467
LBFGSLineSearch:    6 17:08:44     -209.746362        0.122349
LBFGSLineSearch:    7 17:08:46     -209.755102        0.047208
LBFGSLineSearch:    8 17:08:48     -209.756396        0.018968
LBFGSLineSearch:    9 17:08:50     -209.756565        0.008588
LBFGSLineSearch:   10 17:08:52     -209.756596        0.003609
LBFGSLineSearch:   11 17:08:54     -209.756600        0.000471
LBFGSLineSearch:   12 17:08:54     -209.756601        0.000050
LBFGSLineSearch:   13 17:08:55     -209.756601        0.000004