{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "R3m"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0
                0
                0.219193
            ]
            [
                0.666667
                0.333333
                0.552527
            ]
            [
                0.333333
                0.666667
                0.88586
            ]
            [
                0.963562
                0.369983
                0.942843
            ]
            [
                0.073087
                0.369771
                0.276176
            ]
            [
                0.963351
                0.260246
                0.60951
            ]
            [
                0.073087
                0.703316
                0.276176
            ]
            [
                0.963562
                0.59358
                0.942843
            ]
            [
                0.963351
                0.703104
                0.60951
            ]
            [
                0.630229
                0.703316
                0.276176
            ]
            [
                0.739754
                0.703104
                0.60951
            ]
            [
                0.630017
                0.59358
                0.942843
            ]
            [
                0.739754
                0.036649
                0.60951
            ]
            [
                0.630229
                0.926913
                0.276176
            ]
            [
                0.630017
                0.036438
                0.942843
            ]
            [
                0.296896
                0.036649
                0.60951
            ]
            [
                0.40642
                0.036438
                0.942843
            ]
            [
                0.296684
                0.926913
                0.276176
            ]
            [
                0.40642
                0.369983
                0.942843
            ]
            [
                0.296896
                0.260246
                0.60951
            ]
            [
                0.296684
                0.369771
                0.276176
            ]
            [
                0.944348
                0.888697
                0.632345
            ]
            [
                0.944348
                0.055652
                0.632345
            ]
            [
                0.111303
                0.055652
                0.632345
            ]
            [
                0.611015
                0.22203
                0.965678
            ]
            [
                0.611015
                0.388985
                0.965678
            ]
            [
                0.77797
                0.388985
                0.965678
            ]
            [
                0.277682
                0.555363
                0.299011
            ]
            [
                0.277682
                0.722318
                0.299011
            ]
            [
                0.444637
                0.722318
                0.299011
            ]
            [
                0.192025
                0.001637
                0.99571
            ]
            [
                0.809612
                0.807975
                0.99571
            ]
            [
                0.998363
                0.190388
                0.99571
            ]
            [
                0.809612
                0.001637
                0.99571
            ]
            [
                0.192025
                0.190388
                0.99571
            ]
            [
                0.998363
                0.807975
                0.99571
            ]
            [
                0.858691
                0.334971
                0.329043
            ]
            [
                0.476279
                0.141309
                0.329043
            ]
            [
                0.665029
                0.523721
                0.329043
            ]
            [
                0.476279
                0.334971
                0.329043
            ]
            [
                0.858691
                0.523721
                0.329043
            ]
            [
                0.665029
                0.141309
                0.329043
            ]
            [
                0.525358
                0.668304
                0.662376
            ]
            [
                0.142946
                0.474642
                0.662376
            ]
            [
                0.331696
                0.857054
                0.662376
            ]
            [
                0.142946
                0.668304
                0.662376
            ]
            [
                0.525358
                0.857054
                0.662376
            ]
            [
                0.331696
                0.474642
                0.662376
            ]
            [
                0.111206
                0.222412
                0.448987
            ]
            [
                0.111206
                0.888794
                0.448987
            ]
            [
                0.777588
                0.888794
                0.448987
            ]
            [
                0.777873
                0.555746
                0.78232
            ]
            [
                0.777873
                0.222127
                0.78232
            ]
            [
                0.444254
                0.222127
                0.78232
            ]
            [
                0.44454
                0.889079
                0.115654
            ]
            [
                0.44454
                0.55546
                0.115654
            ]
            [
                0.110921
                0.55546
                0.115654
            ]
            [
                0.867411
                0.734821
                0.377655
            ]
            [
                0.867411
                0.132589
                0.377655
            ]
            [
                0.265179
                0.132589
                0.377655
            ]
            [
                0.534077
                0.068154
                0.710989
            ]
            [
                0.534077
                0.465923
                0.710989
            ]
            [
                0.931846
                0.465923
                0.710989
            ]
            [
                0.200744
                0.401488
                0.044322
            ]
            [
                0.200744
                0.799256
                0.044322
            ]
            [
                0.598512
                0.799256
                0.044322
            ]
            [
                0.062072
                0.124144
                0.466231
            ]
            [
                0.062072
                0.937928
                0.466231
            ]
            [
                0.875856
                0.937928
                0.466231
            ]
            [
                0.864553
                0.729107
                0.511041
            ]
            [
                0.864553
                0.135447
                0.511041
            ]
            [
                0.270893
                0.135447
                0.511041
            ]
            [
                0.093169
                0.186339
                0.067043
            ]
            [
                0.093169
                0.906831
                0.067043
            ]
            [
                0.813661
                0.906831
                0.067043
            ]
            [
                0.906668
                0.813335
                0.086501
            ]
            [
                0.906668
                0.093332
                0.086501
            ]
            [
                0.186665
                0.093332
                0.086501
            ]
            [
                0.195878
                0.007891
                0.773342
            ]
            [
                0.812014
                0.804122
                0.773342
            ]
            [
                0.992109
                0.187986
                0.773342
            ]
            [
                0.812014
                0.007891
                0.773342
            ]
            [
                0.195878
                0.187986
                0.773342
            ]
            [
                0.992109
                0.804122
                0.773342
            ]
            [
                0.952205
                0.333238
                0.411973
            ]
            [
                0.0477
                0.381129
                0.745307
            ]
            [
                0.000096
                0.285634
                0.07864
            ]
            [
                0.0477
                0.666571
                0.745307
            ]
            [
                0.952205
                0.618967
                0.411973
            ]
            [
                0.000096
                0.714462
                0.07864
            ]
            [
                0.210903
                0.938333
                0.440939
            ]
            [
                0.72743
                0.789097
                0.440939
            ]
            [
                0.061667
                0.27257
                0.440939
            ]
            [
                0.72743
                0.938333
                0.440939
            ]
            [
                0.210903
                0.27257
                0.440939
            ]
            [
                0.061667
                0.789097
                0.440939
            ]
            [
                0.728739
                0.457478
                0.799565
            ]
            [
                0.728739
                0.271261
                0.799565
            ]
            [
                0.542522
                0.271261
                0.799565
            ]
            [
                0.53122
                0.06244
                0.844374
            ]
            [
                0.53122
                0.46878
                0.844374
            ]
            [
                0.93756
                0.46878
                0.844374
            ]
            [
                0.759836
                0.519672
                0.400377
            ]
            [
                0.759836
                0.240164
                0.400377
            ]
            [
                0.480328
                0.240164
                0.400377
            ]
            [
                0.573334
                0.146669
                0.419835
            ]
            [
                0.573334
                0.426666
                0.419835
            ]
            [
                0.853331
                0.426666
                0.419835
            ]
            [
                0.862544
                0.341225
                0.106676
            ]
            [
                0.47868
                0.137456
                0.106676
            ]
            [
                0.658775
                0.52132
                0.106676
            ]
            [
                0.47868
                0.341225
                0.106676
            ]
            [
                0.862544
                0.52132
                0.106676
            ]
            [
                0.658775
                0.137456
                0.106676
            ]
            [
                0.618871
                0.666571
                0.745307
            ]
            [
                0.714366
                0.714462
                0.07864
            ]
            [
                0.666762
                0.618967
                0.411973
            ]
            [
                0.714366
                0.999904
                0.07864
            ]
            [
                0.618871
                0.9523
                0.745307
            ]
            [
                0.666762
                0.047795
                0.411973
            ]
            [
                0.87757
                0.271666
                0.774272
            ]
            [
                0.394097
                0.12243
                0.774272
            ]
            [
                0.728334
                0.605903
                0.774272
            ]
            [
                0.394097
                0.271666
                0.774272
            ]
            [
                0.87757
                0.605903
                0.774272
            ]
            [
                0.728334
                0.12243
                0.774272
            ]
            [
                0.395406
                0.790811
                0.132898
            ]
            [
                0.395406
                0.604594
                0.132898
            ]
            [
                0.209189
                0.604594
                0.132898
            ]
            [
                0.197887
                0.395773
                0.177707
            ]
            [
                0.197887
                0.802113
                0.177707
            ]
            [
                0.604227
                0.802113
                0.177707
            ]
            [
                0.426503
                0.853005
                0.73371
            ]
            [
                0.426503
                0.573497
                0.73371
            ]
            [
                0.146995
                0.573497
                0.73371
            ]
            [
                0.240001
                0.480002
                0.753168
            ]
            [
                0.240001
                0.759999
                0.753168
            ]
            [
                0.519998
                0.759999
                0.753168
            ]
            [
                0.529211
                0.674558
                0.440009
            ]
            [
                0.145347
                0.470789
                0.440009
            ]
            [
                0.325442
                0.854653
                0.440009
            ]
            [
                0.145347
                0.674558
                0.440009
            ]
            [
                0.529211
                0.854653
                0.440009
            ]
            [
                0.325442
                0.470789
                0.440009
            ]
            [
                0.285538
                0.999904
                0.07864
            ]
            [
                0.381033
                0.047795
                0.411973
            ]
            [
                0.333429
                0.9523
                0.745307
            ]
            [
                0.381033
                0.333238
                0.411973
            ]
            [
                0.285538
                0.285634
                0.07864
            ]
            [
                0.333429
                0.381129
                0.745307
            ]
            [
                0.544236
                0.605
                0.107606
            ]
            [
                0.060764
                0.455764
                0.107606
            ]
            [
                0.395
                0.939236
                0.107606
            ]
            [
                0.060764
                0.605
                0.107606
            ]
            [
                0.544236
                0.939236
                0.107606
            ]
            [
                0.395
                0.455764
                0.107606
            ]
            [
                0
                0
                0.849422
            ]
            [
                0.666667
                0.333333
                0.182755
            ]
            [
                0.333333
                0.666667
                0.516088
            ]
        ]
    }
    "species" {
        "source-value" [
            "Na"
            "Na"
            "Na"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Al"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "F"
            "F"
            "F"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 16.07456905
        "source-unit" "angstrom"
    }
    "alpha" {
        "source-value" 90
        "source-unit" "degree"
    }
}