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_mC16_12_4i"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 9.1921,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.27467064,
        0.45133321,
        82.971,
        0.94271241,
        0.87955035,
        0.44178398,
        0.65364615,
        0.78567809,
        0.059238811,
        0.27133365,
        0.58534651
      ]
    },
    "library-prototype-label": {
      "source-value": "A_mC16_12_4i-001"
    },
    "short-name": {
      "source-value": "M-carbon"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_945198510825_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 1.9102239353365487 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 0.0709830925665048 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 16:16:23      -55.143252        2.146738
LBFGSLineSearch:    1 16:16:23      -55.258952        1.328274
LBFGSLineSearch:    2 16:16:24      -55.308935        0.631532
LBFGSLineSearch:    3 16:16:24      -55.328388        0.527918
LBFGSLineSearch:    4 16:16:24      -55.358931        0.454911
LBFGSLineSearch:    5 16:16:24      -55.382409        0.366152
LBFGSLineSearch:    6 16:16:24      -55.388536        0.129531
LBFGSLineSearch:    7 16:16:24      -55.389181        0.029659
LBFGSLineSearch:    8 16:16:24      -55.389238        0.027275
LBFGSLineSearch:    9 16:16:24      -55.389313        0.029949
LBFGSLineSearch:   10 16:16:24      -55.389455        0.042204
LBFGSLineSearch:   11 16:16:24      -55.389525        0.022709
LBFGSLineSearch:   12 16:16:24      -55.389545        0.007718
LBFGSLineSearch:   13 16:16:24      -55.389549        0.005109
LBFGSLineSearch:   14 16:16:24      -55.389551        0.004177
LBFGSLineSearch:   15 16:16:24      -55.389555        0.002756
LBFGSLineSearch:   16 16:16:25      -55.389557        0.001435
LBFGSLineSearch:   17 16:16:25      -55.389557        0.000814
LBFGSLineSearch:   18 16:16:25      -55.389557        0.000878
LBFGSLineSearch:   19 16:16:25      -55.389557        0.000585
LBFGSLineSearch:   20 16:16:25      -55.389557        0.000122
LBFGSLineSearch:   21 16:16:25      -55.389557        0.000036
LBFGSLineSearch:   22 16:16:25      -55.389557        0.000001