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_hP32_186_3a5b_3a5b"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "Si"
      ]
    },
    "a": {
      "source-value": 3.0942,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        13.086549,
        0.17181941,
        0.29680615,
        0.42188013,
        0.12494433,
        0.24997167,
        0.3750065,
        0.54697954,
        0.10937979,
        0.73447861,
        0.35947992,
        0.98431959,
        0.49998096,
        0.062505179,
        0.68748233,
        0.31248069,
        0.93744522
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_615239182282_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.11167464034251617 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 0.023772747733489703 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 13:51:05     -205.140508        0.249419
LBFGSLineSearch:    1 13:51:07     -205.146958        0.184193
LBFGSLineSearch:    2 13:51:10     -205.163173        0.254913
LBFGSLineSearch:    3 13:51:13     -205.175285        0.180780
LBFGSLineSearch:    4 13:51:16     -205.181324        0.107736
LBFGSLineSearch:    5 13:51:18     -205.182772        0.031914
LBFGSLineSearch:    6 13:51:20     -205.182952        0.015849
LBFGSLineSearch:    7 13:51:23     -205.183007        0.017245
LBFGSLineSearch:    8 13:51:25     -205.183036        0.009824
LBFGSLineSearch:    9 13:51:29     -205.183052        0.007955
LBFGSLineSearch:   10 13:51:32     -205.183066        0.007961
LBFGSLineSearch:   11 13:51:35     -205.183108        0.016999
LBFGSLineSearch:   12 13:51:38     -205.183199        0.006715
LBFGSLineSearch:   13 13:51:41     -205.183203        0.001326
LBFGSLineSearch:   14 13:51:43     -205.183203        0.000860
LBFGSLineSearch:   15 13:51:45     -205.183203        0.000705
LBFGSLineSearch:   16 13:51:48     -205.183203        0.001089
LBFGSLineSearch:   17 13:51:50     -205.183204        0.000644
LBFGSLineSearch:   18 13:51:52     -205.183204        0.000349
LBFGSLineSearch:   19 13:51:54     -205.183204        0.000072
LBFGSLineSearch:   20 13:51:57     -205.183204        0.000010