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_hP8_194_ef"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.5188,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        3.2978799,
        0.092975226,
        0.65554043
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_280290361190_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.38541087270205054 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 0.33273683947757676 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 10:49:36      -58.276686        1.898268
LBFGSLineSearch:    1 10:50:07      -58.673330        1.353438
LBFGSLineSearch:    2 10:50:15      -58.984190        0.752421
LBFGSLineSearch:    3 10:50:16      -59.006197        0.085124
LBFGSLineSearch:    4 10:50:17      -59.006475        0.048719
LBFGSLineSearch:    5 10:50:20      -59.006579        0.031140
LBFGSLineSearch:    6 10:50:28      -59.006840        0.003291
LBFGSLineSearch:    7 10:50:29      -59.006841        0.000200
LBFGSLineSearch:    8 10:50:30      -59.006841        0.000002