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_hP42_156_7a7b7c_7a7b7c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "Si"
      ]
    },
    "a": {
      "source-value": 3.0948,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        17.16993,
        0.035795695,
        0.75001146,
        0.17865604,
        0.89293731,
        0.32151123,
        0.60722224,
        0.46436731,
        0.0,
        0.71427542,
        0.57142009,
        0.85713501,
        0.14284678,
        0.42856204,
        0.28570317,
        0.7023923,
        0.94047795,
        0.84518945,
        0.51190629,
        0.41662026,
        0.22619687,
        0.13090658,
        0.66665864,
        0.80948712,
        0.476198,
        0.095200242,
        0.9047721,
        0.19048242,
        0.38091508,
        0.083336502,
        0.98804706,
        0.79762317,
        0.6547704,
        0.55947403,
        0.36905128,
        0.27376468,
        0.33333903,
        0.2380573,
        0.047625475,
        0.52377299,
        0.61905942,
        0.76189207,
        0.95234763
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_179411225993_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.10826748580270584 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 0.020114826879327603 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 14:23:54     -266.135811        0.211088
LBFGSLineSearch:    1 14:23:55     -266.140171        0.180902
LBFGSLineSearch:    2 14:23:55     -266.144008        0.153678
LBFGSLineSearch:    3 14:23:55     -266.154624        0.143728
LBFGSLineSearch:    4 14:23:55     -266.166849        0.224985
LBFGSLineSearch:    5 14:23:55     -266.177497        0.138085
LBFGSLineSearch:    6 14:23:55     -266.178429        0.065448
LBFGSLineSearch:    7 14:23:55     -266.178757        0.025344
LBFGSLineSearch:    8 14:23:55     -266.178811        0.020997
LBFGSLineSearch:    9 14:23:55     -266.178846        0.010460
LBFGSLineSearch:   10 14:23:55     -266.178865        0.008094
LBFGSLineSearch:   11 14:23:55     -266.178876        0.007432
LBFGSLineSearch:   12 14:23:56     -266.178893        0.006811
LBFGSLineSearch:   13 14:23:56     -266.178908        0.010062
LBFGSLineSearch:   14 14:23:56     -266.178926        0.007611
LBFGSLineSearch:   15 14:23:56     -266.178950        0.008619
LBFGSLineSearch:   16 14:23:56     -266.178962        0.007357
LBFGSLineSearch:   17 14:23:56     -266.178968        0.003672
LBFGSLineSearch:   18 14:23:56     -266.178971        0.003311
LBFGSLineSearch:   19 14:23:56     -266.178973        0.002757
LBFGSLineSearch:   20 14:23:56     -266.178974        0.001586
LBFGSLineSearch:   21 14:23:56     -266.178974        0.001533
LBFGSLineSearch:   22 14:23:56     -266.178974        0.000755
LBFGSLineSearch:   23 14:23:56     -266.178975        0.000064
LBFGSLineSearch:   24 14:23:57     -266.178975        0.000243
LBFGSLineSearch:   25 14:23:57     -266.178975        0.000080
LBFGSLineSearch:   26 14:23:57     -266.178975        0.000023
LBFGSLineSearch:   27 14:23:57     -266.178975        0.000009