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": "AB_hP12_186_a2b_a2b"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "Si"
      ]
    },
    "a": {
      "source-value": 3.0946,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        4.9075486,
        0.12540823,
        6.1691626e-05,
        0.79179857,
        0.45829706,
        0.66680468,
        0.33328977
      ]
    },
    "library-prototype-label": {
      "source-value": "AB_hP12_186_a2b_a2b-001"
    },
    "short-name": {
      "source-value": "Moissanite-6H SiC"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_091901798837_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_765022010619_000",
      "RD_088945562488_000",
      "RD_100474802784_000",
      "RD_375191677454_000",
      "RD_915104268055_000",
      "RD_567571246715_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum force component 0.1159008575276248 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 0.02450312263583706 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 13:56:21      -76.926778        0.257187
LBFGSLineSearch:    1 13:56:39      -76.931451        0.182795
LBFGSLineSearch:    2 13:56:47      -76.940402        0.089254
LBFGSLineSearch:    3 13:56:50      -76.942981        0.067068
LBFGSLineSearch:    4 13:56:55      -76.943403        0.047748
LBFGSLineSearch:    5 13:56:57      -76.943605        0.024349
LBFGSLineSearch:    6 13:57:00      -76.943644        0.009489
LBFGSLineSearch:    7 13:57:01      -76.943653        0.007562
LBFGSLineSearch:    8 13:57:01      -76.943662        0.010345
LBFGSLineSearch:    9 13:57:01      -76.943701        0.001433
LBFGSLineSearch:   10 13:57:01      -76.943701        0.000283
LBFGSLineSearch:   11 13:57:01      -76.943701        0.000050
LBFGSLineSearch:   12 13:57:01      -76.943701        0.000025
LBFGSLineSearch:   13 13:57:01      -76.943701        0.000000