Model name?
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 0.11421245297264432 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 0.021723110258099268 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 13:46:55      -76.037865        0.228008
LBFGSLineSearch:    1 13:46:56      -76.040397        0.180461
LBFGSLineSearch:    2 13:46:57      -76.043873        0.247705
LBFGSLineSearch:    3 13:46:58      -76.049535        0.104673
LBFGSLineSearch:    4 13:47:00      -76.050815        0.089823
LBFGSLineSearch:    5 13:47:02      -76.051050        0.034523
LBFGSLineSearch:    6 13:47:04      -76.051094        0.009011
LBFGSLineSearch:    7 13:47:07      -76.051116        0.017049
LBFGSLineSearch:    8 13:47:09      -76.051136        0.000393
LBFGSLineSearch:    9 13:47:11      -76.051136        0.000011
LBFGSLineSearch:   10 13:47:13      -76.051136        0.000008