Model name?
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
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_tI8_139_h"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 4.3798,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.57333668,
        0.81976373
      ]
    },
    "library-prototype-label": {
      "source-value": "A_tI8_139_h-001"
    },
    "short-name": {
      "source-value": "Hypothetical Tetrahedrally Bonded Carbon with 4-Member Rings"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_649356775256_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.08290529354851658 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 0.035220898375200906 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 14:29:39      -28.716965        0.212072
LBFGSLineSearch:    1 14:29:42      -28.718032        0.231390
LBFGSLineSearch:    2 14:29:45      -28.720174        0.130994
LBFGSLineSearch:    3 14:29:46      -28.720673        0.063692
LBFGSLineSearch:    4 14:29:47      -28.720863        0.049957
LBFGSLineSearch:    5 14:29:48      -28.721140        0.091147
LBFGSLineSearch:    6 14:29:49      -28.721416        0.000213
LBFGSLineSearch:    7 14:29:49      -28.721416        0.000003