Model name?
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_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": "A2B_cP12_205_c_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "Si"
      ]
    },
    "a": {
      "source-value": 4.7882,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.41797522
      ]
    },
    "library-prototype-label": {
      "source-value": "AB2_cP12_205_a_c-002"
    },
    "short-name": {
      "source-value": "binary oxide (R. Friedrich), ICSD #87178"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_119658980649_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 4.9714811525078275 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 0.06353551879766169 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 02:54:41      -66.456725        8.610858
LBFGSLineSearch:    1 02:54:56      -71.028266        1.618683
LBFGSLineSearch:    2 02:55:10      -71.478688        0.960532
LBFGSLineSearch:    3 02:55:16      -71.909316        0.301562
LBFGSLineSearch:    4 02:55:17      -71.924304        0.013277
LBFGSLineSearch:    5 02:55:21      -71.924335        0.000456
LBFGSLineSearch:    6 02:55:24      -71.924335        0.000017
LBFGSLineSearch:    7 02:55:26      -71.924335        0.000000