Model name?
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_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 2.6340767491275003 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 0.2703898387168012 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 10:56:12      -54.272420        3.040153
LBFGSLineSearch:    1 10:56:28      -54.472219        1.277594
LBFGSLineSearch:    2 10:56:34      -54.553535        1.280158
LBFGSLineSearch:    3 10:56:37      -54.666338        1.054626
LBFGSLineSearch:    4 10:56:40      -54.770891        1.222657
LBFGSLineSearch:    5 10:56:44      -54.825277        0.848019
LBFGSLineSearch:    6 10:56:48      -54.836224        0.175180
LBFGSLineSearch:    7 10:56:50      -54.838624        0.094834
LBFGSLineSearch:    8 10:56:54      -54.839259        0.084082
LBFGSLineSearch:    9 10:56:55      -54.840072        0.085078
LBFGSLineSearch:   10 10:56:55      -54.840726        0.061702
LBFGSLineSearch:   11 10:56:56      -54.840828        0.031232
LBFGSLineSearch:   12 10:56:56      -54.840902        0.038475
LBFGSLineSearch:   13 10:56:59      -54.840985        0.018878
LBFGSLineSearch:   14 10:56:59      -54.841043        0.009856
LBFGSLineSearch:   15 10:57:00      -54.841045        0.003193
LBFGSLineSearch:   16 10:57:01      -54.841046        0.003282
LBFGSLineSearch:   17 10:57:02      -54.841048        0.001892
LBFGSLineSearch:   18 10:57:02      -54.841048        0.000197
LBFGSLineSearch:   19 10:57:02      -54.841048        0.000001