Model name?
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_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": "A2B_tP12_92_b_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "O",
        "Si"
      ]
    },
    "a": {
      "source-value": 5.0168,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.3894714,
        0.30283022,
        0.23778777,
        0.11033928,
        0.18216985
      ]
    },
    "library-prototype-label": {
      "source-value": "A2B_tP12_92_b_a-001"
    },
    "short-name": {
      "source-value": "alpha-Cristobalite"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_914386275965_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_963084240695_000",
      "RD_373971749714_000",
      "RD_950324235631_000",
      "RD_858492701659_000",
      "RD_180851628371_000",
      "RD_371565162754_000",
      "RD_536152960467_000",
      "RD_630272474169_000",
      "RD_521095008124_000",
      "RD_091298578900_000",
      "RD_159469213214_000",
      "RD_095479055200_000",
      "RD_769840124582_000",
      "RD_327903073932_000",
      "RD_154658628513_000",
      "RD_155396967526_000",
      "RD_205927025984_000",
      "RD_738573949815_000",
      "RD_018196640588_000",
      "RD_294587506557_000",
      "RD_402584035655_000",
      "RD_907035101681_000",
      "RD_090968832429_000",
      "RD_979853112797_000",
      "RD_026954975346_000",
      "RD_501894213841_000",
      "RD_451503191834_000",
      "RD_884263614545_000",
      "RD_411876455684_000",
      "RD_219241047347_000",
      "RD_846575280225_000",
      "RD_848460121262_000",
      "RD_684526974096_000",
      "RD_239925603662_000",
      "RD_576460975665_000",
      "RD_673705687628_000",
      "RD_342120586788_000",
      "RD_451658379519_000",
      "RD_918122684982_000",
      "RD_979983672099_000",
      "RD_397207082431_000",
      "RD_948335392322_000",
      "RD_350948838855_000",
      "RD_822274657852_000",
      "RD_772683623947_000",
      "RD_086690987767_000"
    ]
  },
  {
    "prototype-label": {
      "source-value": "A2B_tP12_92_b_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "O",
        "Si"
      ]
    },
    "a": {
      "source-value": 5.1391,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.4015489,
        0.28644073,
        0.24374505,
        0.078395954,
        0.16640477
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_916853359958_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.8270505488301825 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 14:51:54      -91.384228        1.078071
LBFGSLineSearch:    1 14:51:59      -91.593196        0.367664
LBFGSLineSearch:    2 14:52:02      -91.599311        0.283660
LBFGSLineSearch:    3 14:52:04      -91.612341        0.268005
LBFGSLineSearch:    4 14:52:06      -91.617351        0.154472
LBFGSLineSearch:    5 14:52:10      -91.620452        0.184897
LBFGSLineSearch:    6 14:52:16      -91.664413        0.132840
LBFGSLineSearch:    7 14:52:20      -91.672491        0.052224
LBFGSLineSearch:    8 14:52:25      -91.672916        0.031925
LBFGSLineSearch:    9 14:52:30      -91.673153        0.018384
LBFGSLineSearch:   10 14:52:34      -91.673211        0.015903
LBFGSLineSearch:   11 14:52:39      -91.673233        0.013862
LBFGSLineSearch:   12 14:52:44      -91.673273        0.012401
LBFGSLineSearch:   13 14:52:48      -91.673460        0.005612
LBFGSLineSearch:   14 14:52:52      -91.673509        0.000096
LBFGSLineSearch:   15 14:52:57      -91.673509        0.000004

NOTE: The configuration you provided has a maximum force component 0.35586387041295975 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 14:54:02      -91.190025        0.734749
LBFGSLineSearch:    1 14:54:05      -91.268584        0.325558
LBFGSLineSearch:    2 14:54:05      -91.279722        0.337850
LBFGSLineSearch:    3 14:54:07      -91.340137        0.278705
LBFGSLineSearch:    4 14:54:10      -91.369525        0.442753
LBFGSLineSearch:    5 14:54:13      -91.589881        0.602785
LBFGSLineSearch:    6 14:54:16      -91.655919        0.167838
LBFGSLineSearch:    7 14:54:18      -91.660348        0.114895
LBFGSLineSearch:    8 14:54:19      -91.663125        0.103278
LBFGSLineSearch:    9 14:54:21      -91.665076        0.097089
LBFGSLineSearch:   10 14:54:25      -91.665755        0.089607
LBFGSLineSearch:   11 14:54:28      -91.666581        0.070341
LBFGSLineSearch:   12 14:54:30      -91.673389        0.019370
LBFGSLineSearch:   13 14:54:31      -91.673508        0.001580
LBFGSLineSearch:   14 14:54:34      -91.673509        0.000072
LBFGSLineSearch:   15 14:54:38      -91.673509        0.000003