Model name?
Sim_LAMMPS_MEAM_FernandezPascuet_2014_U__SM_176800861722_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_oC4_63_c"
    },
    "stoichiometric-species": {
      "source-value": [
        "U"
      ]
    },
    "a": {
      "source-value": 2.9646,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        2.0039128,
        1.7224921,
        0.10635238
      ]
    },
    "library-prototype-label": {
      "source-value": "A_oC4_63_c-001"
    },
    "short-name": {
      "source-value": "alpha-Uranium"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_012351856449_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_747234825148_000",
      "RD_326875247278_000",
      "RD_664276239390_000",
      "RD_777287874034_000",
      "RD_546956839160_000",
      "RD_060368783194_000",
      "RD_342394302569_000",
      "RD_432154357637_000",
      "RD_659689128742_000",
      "RD_465763696122_000",
      "RD_233053633363_000",
      "RD_974045193123_000",
      "RD_019999282613_000",
      "RD_447622857211_000"
    ]
  },
  {
    "prototype-label": {
      "source-value": "A_oC4_63_c"
    },
    "stoichiometric-species": {
      "source-value": [
        "U"
      ]
    },
    "a": {
      "source-value": 3.38,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.7635799,
        1.6884024,
        0.14768057
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_218892568901_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_282992027970_000",
      "RD_356494005534_000",
      "RD_162349130428_000",
      "RD_515897403625_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum force component 0.2148398164274303 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 17:19:58      -10.811342        1.273380
LBFGSLineSearch:    1 17:19:59      -10.948805        1.199387
LBFGSLineSearch:    2 17:19:59      -11.002571        1.405605
LBFGSLineSearch:    3 17:19:59      -11.061304        0.865436
LBFGSLineSearch:    4 17:19:59      -11.085357        0.309211
LBFGSLineSearch:    5 17:19:59      -11.089565        0.192287
LBFGSLineSearch:    6 17:19:59      -11.092059        0.130784
LBFGSLineSearch:    7 17:19:59      -11.092711        0.064615
LBFGSLineSearch:    8 17:19:59      -11.092875        0.048784
LBFGSLineSearch:    9 17:19:59      -11.092995        0.050289
LBFGSLineSearch:   10 17:19:59      -11.093082        0.034798
LBFGSLineSearch:   11 17:19:59      -11.093103        0.009792
LBFGSLineSearch:   12 17:19:59      -11.093105        0.000714
LBFGSLineSearch:   13 17:19:59      -11.093105        0.000048
LBFGSLineSearch:   14 17:19:59      -11.093105        0.000003

NOTE: The configuration you provided has a maximum force component 0.1385850317402187 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 17:20:50       -9.879681        2.792972
LBFGSLineSearch:    1 17:20:50      -10.561514        0.481944
LBFGSLineSearch:    2 17:20:50      -10.574018        0.166595
LBFGSLineSearch:    3 17:20:50      -10.584678        0.651130
LBFGSLineSearch:    4 17:20:51      -10.646898        1.737552
LBFGSLineSearch:    5 17:20:51      -10.654685        1.855693
LBFGSLineSearch:    6 17:20:51      -10.836372        2.956279
LBFGSLineSearch:    7 17:20:51      -10.929953        1.455335
LBFGSLineSearch:    8 17:20:52      -11.011719        1.554879
LBFGSLineSearch:    9 17:20:52      -11.058825        1.405193
LBFGSLineSearch:   10 17:20:52      -11.086419        0.342248
LBFGSLineSearch:   11 17:20:52      -11.091801        0.112302
LBFGSLineSearch:   12 17:20:52      -11.092261        0.085015
LBFGSLineSearch:   13 17:20:52      -11.092825        0.081379
LBFGSLineSearch:   14 17:20:52      -11.093048        0.035693
LBFGSLineSearch:   15 17:20:53      -11.093105        0.000676
LBFGSLineSearch:   16 17:20:53      -11.093105        0.000162
LBFGSLineSearch:   17 17:20:53      -11.093105        0.000002