Model name?
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_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": "AB_hP10_156_2a2bc_2a2bc"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "Si"
      ]
    },
    "a": {
      "source-value": 3.0942,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        4.090201,
        0.15006489,
        0.75008767,
        0.00011035469,
        0.59980949,
        0.54971634,
        0.9503951,
        0.39975113,
        0.80010106,
        0.34996937,
        0.19994208
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_862885398825_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.1109276769143053 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 0.021166395657319554 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 13:44:57      -63.365664        0.222110
LBFGSLineSearch:    1 13:44:57      -63.367552        0.177149
LBFGSLineSearch:    2 13:44:57      -63.370895        0.258476
LBFGSLineSearch:    3 13:44:57      -63.375602        0.074154
LBFGSLineSearch:    4 13:44:57      -63.375852        0.032883
LBFGSLineSearch:    5 13:44:57      -63.375892        0.011181
LBFGSLineSearch:    6 13:44:57      -63.375916        0.013066
LBFGSLineSearch:    7 13:44:58      -63.375931        0.006363
LBFGSLineSearch:    8 13:44:58      -63.375934        0.003968
LBFGSLineSearch:    9 13:44:58      -63.375937        0.012453
LBFGSLineSearch:   10 13:44:58      -63.375946        0.000904
LBFGSLineSearch:   11 13:44:58      -63.375946        0.000188
LBFGSLineSearch:   12 13:44:59      -63.375946        0.000076
LBFGSLineSearch:   13 13:44:59      -63.375946        0.000015
LBFGSLineSearch:   14 13:44:59      -63.375946        0.000001