Model name?
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_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_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 1.4248490599434662 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 0.03865123998638692 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 14:30:13      -27.260631        2.015041
LBFGSLineSearch:    1 14:30:38      -27.326756        0.185101
LBFGSLineSearch:    2 14:30:51      -27.329835        0.043419
LBFGSLineSearch:    3 14:31:02      -27.330069        0.014027
LBFGSLineSearch:    4 14:31:16      -27.330076        0.003048
LBFGSLineSearch:    5 14:31:20      -27.330077        0.000552
LBFGSLineSearch:    6 14:31:32      -27.330077        0.000001