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_cI16_206_c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 4.4773,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.15607601
      ]
    },
    "library-prototype-label": {
      "source-value": "A_cI16_206_c-001"
    },
    "short-name": {
      "source-value": "BC8"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_115241343002_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_591387964788_000",
      "RD_198003838165_000",
      "RD_747784776781_000",
      "RD_217108461698_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum force component 0.36559446206911256 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 0.3543036717423337 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 16:16:18      -51.054145        1.987487
LBFGSLineSearch:    1 16:16:20      -51.407620        1.643338
LBFGSLineSearch:    2 16:16:22      -52.017590        0.646132
LBFGSLineSearch:    3 16:16:23      -52.044582        0.115785
LBFGSLineSearch:    4 16:16:25      -52.046064        0.010450
LBFGSLineSearch:    5 16:16:26      -52.046069        0.001706
LBFGSLineSearch:    6 16:16:27      -52.046069        0.000046
LBFGSLineSearch:    7 16:16:30      -52.046069        0.000002