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_cF4_225_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "Si"
      ]
    },
    "a": {
      "source-value": 3.868,
      "source-unit": "angstrom"
    },
    "library-prototype-label": {
      "source-value": "A_cF4_225_a"
    },
    "short-name": {
      "source-value": "Face-Centered Cubic"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_335330315069_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_858073385598_000"
    ]
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 17:50:47       -3.160437        1.383172
LBFGSLineSearch:    1 17:50:47       -3.278114        0.378724
LBFGSLineSearch:    2 17:50:47       -3.283902        0.096780
LBFGSLineSearch:    3 17:50:47       -3.284344        0.004727
LBFGSLineSearch:    4 17:50:47       -3.284345        0.000064
LBFGSLineSearch:    5 17:50:48       -3.284345        0.000000