Model name?
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_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 0.16763932567535744 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 0.08173623959727178 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 16:16:32      -29.370085        0.467050
LBFGSLineSearch:    1 16:16:32      -29.373581        0.375136
LBFGSLineSearch:    2 16:16:33      -29.385665        0.264753
LBFGSLineSearch:    3 16:16:33      -29.386617        0.019284
LBFGSLineSearch:    4 16:16:33      -29.386624        0.003143
LBFGSLineSearch:    5 16:16:33      -29.386625        0.003170
LBFGSLineSearch:    6 16:16:33      -29.386625        0.000672
LBFGSLineSearch:    7 16:16:33      -29.386625        0.000014
LBFGSLineSearch:    8 16:16:34      -29.386625        0.000000