Model name?
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_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_hP4_194_f"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.5124,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.6642254,
        0.062750617
      ]
    },
    "library-prototype-label": {
      "source-value": "A_hP4_194_f-001"
    },
    "short-name": {
      "source-value": "Lonsdaleite"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_603706980992_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_914727357259_000",
      "RD_162295946796_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum force component 0.022794014426733122 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 0.15234029176990574 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 16:16:18      -29.167454        0.870490
LBFGSLineSearch:    1 16:16:20      -29.198797        0.120035
LBFGSLineSearch:    2 16:16:21      -29.199330        0.069082
LBFGSLineSearch:    3 16:16:22      -29.199430        0.023112
LBFGSLineSearch:    4 16:16:25      -29.199458        0.014518
LBFGSLineSearch:    5 16:16:27      -29.199473        0.006016
LBFGSLineSearch:    6 16:16:28      -29.199477        0.000012
LBFGSLineSearch:    7 16:16:28      -29.199477        0.000000