Model name?
Sim_LAMMPS_Buckingham_ArimaYamasakiTorikai_2005_CeO__SM_328512278696_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": "A2B3_mC10_5_c_ac"
    },
    "stoichiometric-species": {
      "source-value": [
        "Ce",
        "O"
      ]
    },
    "a": {
      "source-value": 10.9309,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.57759196,
        0.29974659,
        89.7304,
        0.4944761,
        0.33338899,
        0.00017590163,
        0.51312145,
        0.74682047,
        0.25258605,
        0.99549564
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_627934542282_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.28386731863785764 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 0.14155084348422622 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 04:41:51     -188.263161        3.200799
LBFGSLineSearch:    1 04:42:15     -190.543006        1.347436
LBFGSLineSearch:    2 04:42:17     -191.142391        1.071530
LBFGSLineSearch:    3 04:42:28     -191.142392        1.071506
LBFGSLineSearch:    4 04:42:28     -191.169383        0.122606
LBFGSLineSearch:    5 04:42:28     -191.188669        0.109547
LBFGSLineSearch:    6 04:42:29     -191.216523        0.092630
LBFGSLineSearch:    7 04:42:37     -191.216523        0.092629
LBFGSLineSearch:    8 04:42:37     -191.216520        0.092630
LBFGSLineSearch:    9 04:42:37     -191.216524        0.092624
LBFGSLineSearch:   10 04:42:41     -191.216524        0.092624
LBFGSLineSearch:   11 04:42:42     -191.216525        0.092624
LBFGSLineSearch:   12 04:42:42     -191.216525        0.092624
LBFGSLineSearch:   13 04:42:42     -191.225584        0.095254
LBFGSLineSearch:   14 04:42:45     -191.225586        0.095253
LBFGSLineSearch:   15 04:42:47     -191.225586        0.095253
LBFGSLineSearch:   16 04:42:53     -191.225586        0.095253
LBFGSLineSearch:   17 04:42:53     -191.225586        0.095253
LBFGSLineSearch:   18 04:42:54     -191.225586        0.095253
LBFGSLineSearch:   19 04:42:54     -191.225586        0.095246
LBFGSLineSearch:   20 04:42:54     -191.226885        0.082641
LBFGSLineSearch:   21 04:42:55     -191.228453        0.085785