Model name?
MEAM_LAMMPS_NouranianTschoppGwaltney_2014_CH__MO_354152387712_002
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_oI120_71_lmn6o"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 16.9765,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.53839131,
        0.53253026,
        0.087794084,
        0.41181715,
        0.79695569,
        0.077206239,
        0.95291847,
        0.41287669,
        0.84820465,
        0.25285259,
        0.080318454,
        0.91460436,
        0.33504004,
        0.12991053,
        0.82302819,
        0.12822295,
        0.15791096,
        0.95658327,
        0.28466999,
        0.25169645,
        0.86554334,
        0.080688437,
        0.28688349,
        0.93091231,
        0.15926312,
        0.33373657
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_557254925396_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_837406006847_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum force component 1.2100673443466756 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 0.06600615596624418 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 16:16:44     -364.476827        1.366837
LBFGSLineSearch:    1 16:16:45     -365.744923        0.948211
LBFGSLineSearch:    2 16:16:45     -367.254417        0.814862
LBFGSLineSearch:    3 16:16:46     -367.485944        1.085280
LBFGSLineSearch:    4 16:16:46     -367.735956        0.531023
LBFGSLineSearch:    5 16:16:47     -367.937609        0.600025
LBFGSLineSearch:    6 16:16:48     -368.081100        0.562962
LBFGSLineSearch:    7 16:16:48     -368.196441        0.398979
LBFGSLineSearch:    8 16:16:50     -368.286865        0.453242
LBFGSLineSearch:    9 16:16:50     -368.365765        0.450045
LBFGSLineSearch:   10 16:16:51     -368.462617        0.545827
LBFGSLineSearch:   11 16:16:52     -368.510297        0.261200
LBFGSLineSearch:   12 16:16:53     -368.537060        0.208680
LBFGSLineSearch:   13 16:16:54     -368.554051        0.158814
LBFGSLineSearch:   14 16:16:56     -368.581196        0.172961
LBFGSLineSearch:   15 16:16:58     -368.623389        0.297302
LBFGSLineSearch:   16 16:16:59     -368.685524        0.336815
LBFGSLineSearch:   17 16:16:59     -368.750971        0.224125
LBFGSLineSearch:   18 16:17:00     -368.772749        0.098937
LBFGSLineSearch:   19 16:17:01     -368.777684        0.072851
LBFGSLineSearch:   20 16:17:02     -368.780824        0.072471
LBFGSLineSearch:   21 16:17:05     -368.782939        0.076521
LBFGSLineSearch:   22 16:17:08     -368.784364        0.080104
LBFGSLineSearch:   23 16:17:12     -368.786750        0.088748
LBFGSLineSearch:   24 16:17:16     -368.801303        0.116388
LBFGSLineSearch:   25 16:17:18     -368.814275        0.107997
LBFGSLineSearch:   26 16:17:20     -368.824887        0.085418
LBFGSLineSearch:   27 16:17:21     -368.828082        0.065384
LBFGSLineSearch:   28 16:17:22     -368.829485        0.060960
LBFGSLineSearch:   29 16:17:23     -368.829959        0.057992
LBFGSLineSearch:   30 16:17:25     -368.830941        0.056928
LBFGSLineSearch:   31 16:17:27     -368.835932        0.080632
LBFGSLineSearch:   32 16:17:29     -368.845241        0.096959
LBFGSLineSearch:   33 16:17:31     -368.852346        0.075220
LBFGSLineSearch:   34 16:17:34     -368.854925        0.054133
LBFGSLineSearch:   35 16:17:37     -368.856733        0.062484
LBFGSLineSearch:   36 16:17:39     -368.864233        0.127421
LBFGSLineSearch:   37 16:17:43     -368.880371        0.213654
LBFGSLineSearch:   38 16:17:46     -368.896790        0.178485
LBFGSLineSearch:   39 16:17:48     -368.901845        0.091481
LBFGSLineSearch:   40 16:17:50     -368.903777        0.028287
LBFGSLineSearch:   41 16:17:53     -368.904323        0.030351
LBFGSLineSearch:   42 16:17:57     -368.905411        0.041534
LBFGSLineSearch:   43 16:18:01     -368.909161        0.105540
LBFGSLineSearch:   44 16:18:03     -368.915407        0.027822
LBFGSLineSearch:   45 16:18:06     -368.915728        0.016866
LBFGSLineSearch:   46 16:18:09     -368.915911        0.021857
LBFGSLineSearch:   47 16:18:12     -368.917195        0.073236
LBFGSLineSearch:   48 16:18:16     -368.920604        0.047381
LBFGSLineSearch:   49 16:18:20     -368.921132        0.013255
LBFGSLineSearch:   50 16:18:23     -368.921206        0.004126
LBFGSLineSearch:   51 16:18:26     -368.921214        0.002906
LBFGSLineSearch:   52 16:18:30     -368.921223        0.004384
LBFGSLineSearch:   53 16:18:32     -368.921278        0.007336
LBFGSLineSearch:   54 16:18:35     -368.921445        0.004322
LBFGSLineSearch:   55 16:18:38     -368.921462        0.002237
LBFGSLineSearch:   56 16:18:42     -368.921463        0.002050
LBFGSLineSearch:   57 16:18:46     -368.921463        0.001898
LBFGSLineSearch:   58 16:18:49     -368.921470        0.002725
LBFGSLineSearch:   59 16:18:52     -368.921513        0.007181
LBFGSLineSearch:   60 16:18:55     -368.921572        0.005257
LBFGSLineSearch:   61 16:18:56     -368.921580        0.001336
LBFGSLineSearch:   62 16:18:58     -368.921580        0.000074
LBFGSLineSearch:   63 16:19:00     -368.921580        0.000009