Model name?
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_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 0.010743518515809621 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 0.017612087681453257 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 10:35:38      -88.819048        0.266481
LBFGSLineSearch:    1 10:36:21      -88.832211        0.221288
LBFGSLineSearch:    2 10:36:31      -88.833754        0.099802
LBFGSLineSearch:    3 10:36:38      -88.834146        0.000203
LBFGSLineSearch:    4 10:36:47      -88.834146        0.000027
LBFGSLineSearch:    5 10:36:57      -88.834146        0.000000