Model name?
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_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 0.10229968256346211 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 0.023941129971181366 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 13:56:21      -64.106392        0.251226
LBFGSLineSearch:    1 13:56:34      -64.110612        0.173836
LBFGSLineSearch:    2 13:56:48      -64.118741        0.054580
LBFGSLineSearch:    3 13:56:50      -64.119592        0.039608
LBFGSLineSearch:    4 13:56:50      -64.119670        0.020811
LBFGSLineSearch:    5 13:56:50      -64.119694        0.010370
LBFGSLineSearch:    6 13:56:50      -64.119704        0.007866
LBFGSLineSearch:    7 13:56:51      -64.119728        0.018103
LBFGSLineSearch:    8 13:56:51      -64.119745        0.003478
LBFGSLineSearch:    9 13:56:51      -64.119751        0.002802
LBFGSLineSearch:   10 13:56:51      -64.119751        0.000207
LBFGSLineSearch:   11 13:56:51      -64.119751        0.000057
LBFGSLineSearch:   12 13:56:52      -64.119751        0.000030
LBFGSLineSearch:   13 13:56:52      -64.119751        0.000004