Model name?
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_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_cI16_206_c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 4.4773,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.15607601
      ]
    },
    "library-prototype-label": {
      "source-value": "A_cI16_206_c-001"
    },
    "short-name": {
      "source-value": "BC8"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_115241343002_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_591387964788_000",
      "RD_198003838165_000",
      "RD_747784776781_000",
      "RD_217108461698_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum force component 0.8826717088133947 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 0.04479336068597639 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 10:24:02      -52.663402        1.528832
LBFGSLineSearch:    1 10:24:03      -52.735436        0.671785
LBFGSLineSearch:    2 10:24:05      -52.760466        0.392650
LBFGSLineSearch:    3 10:24:07      -52.775520        0.463766
LBFGSLineSearch:    4 10:24:10      -52.806814        0.028625
LBFGSLineSearch:    5 10:24:11      -52.806847        0.000136
LBFGSLineSearch:    6 10:24:14      -52.806847        0.000002