Model name?
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_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_hP12_194_bc2f"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.4678,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        13.950077,
        0.86916696,
        0.13083843
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_067110567700_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.6003629278859113 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 0.02355412618953926 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 10:35:49      -88.328451        0.600363
LBFGSLineSearch:    1 10:36:15      -88.367288        0.314055
LBFGSLineSearch:    2 10:36:18      -88.377266        0.232162
LBFGSLineSearch:    3 10:36:18      -88.393823        0.104001
LBFGSLineSearch:    4 10:36:18      -88.405819        0.192522
LBFGSLineSearch:    5 10:36:18      -88.452049        0.302377
LBFGSLineSearch:    6 10:36:20      -88.472676        0.228425
LBFGSLineSearch:    7 10:36:27      -88.482479        0.039843
LBFGSLineSearch:    8 10:36:34      -88.482688        0.001883
LBFGSLineSearch:    9 10:36:38      -88.482692        0.000209
LBFGSLineSearch:   10 10:36:51      -88.482692        0.000020
LBFGSLineSearch:   11 10:37:02      -88.482692        0.000001