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_hP36_156_8a5b5c_8a5b5c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "Si"
      ]
    },
    "a": {
      "source-value": 3.0939,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        14.727528,
        0.097173129,
        0.20828436,
        0.31939456,
        0.43050707,
        0.54161674,
        0.65272563,
        0.76389665,
        0.98607212,
        0.94439838,
        0.722225,
        0.61108751,
        0.49997312,
        0.38885955,
        0.27774817,
        0.16663876,
        0.055529197,
        0.87509158,
        0.041760924,
        0.26398337,
        0.48620572,
        0.70842417,
        0.22220372,
        0.44442599,
        0.99998379,
        0.66665165,
        0.83331663,
        0.59731516,
        0.81940175,
        0.37509487,
        0.15287279,
        0.93056624,
        0.11109456,
        0.33331393,
        0.55554072,
        0.77773395,
        0.88888856
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_951349617011_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.1237432110354586 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 0.024982654539709506 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 13:51:08     -230.780970        0.262129
LBFGSLineSearch:    1 13:51:09     -230.789278        0.183486
LBFGSLineSearch:    2 13:51:11     -230.802846        0.204139
LBFGSLineSearch:    3 13:51:13     -230.820798        0.165383
LBFGSLineSearch:    4 13:51:15     -230.828013        0.125030
LBFGSLineSearch:    5 13:51:16     -230.830253        0.043802
LBFGSLineSearch:    6 13:51:17     -230.830697        0.026899
LBFGSLineSearch:    7 13:51:19     -230.830796        0.012392
LBFGSLineSearch:    8 13:51:20     -230.830824        0.010491
LBFGSLineSearch:    9 13:51:21     -230.830835        0.010634
LBFGSLineSearch:   10 13:51:23     -230.830847        0.010426
LBFGSLineSearch:   11 13:51:24     -230.830882        0.009080
LBFGSLineSearch:   12 13:51:26     -230.830913        0.012433
LBFGSLineSearch:   13 13:51:28     -230.830987        0.019167
LBFGSLineSearch:   14 13:51:30     -230.831061        0.010467
LBFGSLineSearch:   15 13:51:33     -230.831080        0.008608
LBFGSLineSearch:   16 13:51:34     -230.831100        0.004705
LBFGSLineSearch:   17 13:51:36     -230.831103        0.002621
LBFGSLineSearch:   18 13:51:38     -230.831104        0.001018
LBFGSLineSearch:   19 13:51:39     -230.831104        0.000537
LBFGSLineSearch:   20 13:51:40     -230.831104        0.000245
LBFGSLineSearch:   21 13:51:42     -230.831104        0.000129
LBFGSLineSearch:   22 13:51:45     -230.831104        0.000112
LBFGSLineSearch:   23 13:51:46     -230.831104        0.000140
LBFGSLineSearch:   24 13:51:47     -230.831104        0.000089
LBFGSLineSearch:   25 13:51:49     -230.831104        0.000015
LBFGSLineSearch:   26 13:51:51     -230.831104        0.000009