Model name?
Sim_LAMMPS_Buckingham_PotashnikovBoyarchenkovNekrasov_2011_PuUO__SM_422015835006_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 1.2394551911702216 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 16:20:45     -110.631690       64.258802
LBFGSLineSearch:    1 16:20:45     -110.631694       64.258801
LBFGSLineSearch:    2 16:20:46     -110.631693       64.258801

The minimization failed to converge. See kim-tools.log for more info

NOTE: The configuration you provided has a maximum force component 0.21158090605816138 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 16:21:12     -102.266422       49.717023
LBFGSLineSearch:    1 16:21:14     -102.266421       49.717023

The minimization failed to converge. See kim-tools.log for more info