{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "R-3"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.433168
                0.105842
                0.960066
            ]
            [
                0.672675
                0.566832
                0.960066
            ]
            [
                0.894158
                0.327325
                0.960066
            ]
            [
                0.566832
                0.894158
                0.039934
            ]
            [
                0.327325
                0.433168
                0.039934
            ]
            [
                0.105842
                0.672675
                0.039934
            ]
            [
                0.099834
                0.439176
                0.293399
            ]
            [
                0.339341
                0.900166
                0.293399
            ]
            [
                0.560824
                0.660659
                0.293399
            ]
            [
                0.233499
                0.227491
                0.373267
            ]
            [
                0.993992
                0.766501
                0.373267
            ]
            [
                0.772509
                0.006008
                0.373267
            ]
            [
                0.766501
                0.772509
                0.626733
            ]
            [
                0.006008
                0.233499
                0.626733
            ]
            [
                0.227491
                0.993992
                0.626733
            ]
            [
                0.900166
                0.560824
                0.706601
            ]
            [
                0.660659
                0.099834
                0.706601
            ]
            [
                0.439176
                0.339341
                0.706601
            ]
            [
                0.796767
                0.942116
                0.220856
            ]
            [
                0.145349
                0.203233
                0.220856
            ]
            [
                0.057884
                0.854651
                0.220856
            ]
            [
                0.203233
                0.057884
                0.779144
            ]
            [
                0.854651
                0.796767
                0.779144
            ]
            [
                0.942116
                0.145349
                0.779144
            ]
            [
                0.86049
                0.804908
                0.263435
            ]
            [
                0.944418
                0.13951
                0.263435
            ]
            [
                0.195092
                0.055582
                0.263435
            ]
            [
                0.13951
                0.195092
                0.736565
            ]
            [
                0.055582
                0.86049
                0.736565
            ]
            [
                0.804908
                0.944418
                0.736565
            ]
            [
                0.463434
                0.27545
                0.55419
            ]
            [
                0.812016
                0.536566
                0.55419
            ]
            [
                0.72455
                0.187984
                0.55419
            ]
            [
                0.8699
                0.391217
                0.112477
            ]
            [
                0.521317
                0.1301
                0.112477
            ]
            [
                0.608783
                0.478683
                0.112477
            ]
            [
                0.527157
                0.138242
                0.596769
            ]
            [
                0.611085
                0.472843
                0.596769
            ]
            [
                0.861758
                0.388915
                0.596769
            ]
            [
                0.806176
                0.528425
                0.069898
            ]
            [
                0.722249
                0.193824
                0.069898
            ]
            [
                0.471575
                0.277751
                0.069898
            ]
            [
                0.1301
                0.608783
                0.887523
            ]
            [
                0.478683
                0.8699
                0.887523
            ]
            [
                0.391217
                0.521317
                0.887523
            ]
            [
                0.536566
                0.72455
                0.44581
            ]
            [
                0.187984
                0.463434
                0.44581
            ]
            [
                0.27545
                0.812016
                0.44581
            ]
            [
                0.193824
                0.471575
                0.930102
            ]
            [
                0.277751
                0.806176
                0.930102
            ]
            [
                0.528425
                0.722249
                0.930102
            ]
            [
                0.472843
                0.861758
                0.403231
            ]
            [
                0.388915
                0.527157
                0.403231
            ]
            [
                0.138242
                0.611085
                0.403231
            ]
            [
                0.428768
                0.324913
                0.884229
            ]
            [
                0.896145
                0.571232
                0.884229
            ]
            [
                0.675087
                0.103855
                0.884229
            ]
            [
                0.571232
                0.675087
                0.115771
            ]
            [
                0.103855
                0.428768
                0.115771
            ]
            [
                0.324913
                0.896145
                0.115771
            ]
            [
                0.303622
                0.844354
                0.122348
            ]
            [
                0.540732
                0.696378
                0.122348
            ]
            [
                0.155646
                0.459268
                0.122348
            ]
            [
                0.696378
                0.155646
                0.877652
            ]
            [
                0.459268
                0.303622
                0.877652
            ]
            [
                0.844354
                0.540732
                0.877652
            ]
            [
                0.330965
                0.951816
                0.896518
            ]
            [
                0.620851
                0.669035
                0.896518
            ]
            [
                0.048184
                0.379149
                0.896518
            ]
            [
                0.669035
                0.048184
                0.103482
            ]
            [
                0.379149
                0.330965
                0.103482
            ]
            [
                0.951816
                0.620851
                0.103482
            ]
            [
                0.917536
                0.789635
                0.006352
            ]
            [
                0.872098
                0.082464
                0.006352
            ]
            [
                0.210365
                0.127902
                0.006352
            ]
            [
                0.082464
                0.210365
                0.993648
            ]
            [
                0.127902
                0.917536
                0.993648
            ]
            [
                0.789635
                0.872098
                0.993648
            ]
            [
                0.095434
                0.658246
                0.217562
            ]
            [
                0.562811
                0.904566
                0.217562
            ]
            [
                0.341754
                0.437189
                0.217562
            ]
            [
                0.237899
                0.008421
                0.449105
            ]
            [
                0.770522
                0.762101
                0.449105
            ]
            [
                0.991579
                0.229478
                0.449105
            ]
            [
                0.970288
                0.177687
                0.455682
            ]
            [
                0.207399
                0.029712
                0.455682
            ]
            [
                0.822313
                0.792601
                0.455682
            ]
            [
                0.363045
                0.48898
                0.210985
            ]
            [
                0.125935
                0.636955
                0.210985
            ]
            [
                0.51102
                0.874065
                0.210985
            ]
            [
                0.997631
                0.285149
                0.229851
            ]
            [
                0.287518
                0.002369
                0.229851
            ]
            [
                0.714851
                0.712482
                0.229851
            ]
            [
                0.335702
                0.381517
                0.436816
            ]
            [
                0.045816
                0.664298
                0.436816
            ]
            [
                0.618483
                0.954184
                0.436816
            ]
            [
                0.584203
                0.122968
                0.339686
            ]
            [
                0.538765
                0.415797
                0.339686
            ]
            [
                0.877032
                0.461235
                0.339686
            ]
            [
                0.74913
                0.543698
                0.326981
            ]
            [
                0.794568
                0.25087
                0.326981
            ]
            [
                0.456302
                0.205432
                0.326981
            ]
            [
                0.762101
                0.991579
                0.550895
            ]
            [
                0.229478
                0.237899
                0.550895
            ]
            [
                0.008421
                0.770522
                0.550895
            ]
            [
                0.904566
                0.341754
                0.782438
            ]
            [
                0.437189
                0.095434
                0.782438
            ]
            [
                0.658246
                0.562811
                0.782438
            ]
            [
                0.636955
                0.51102
                0.789015
            ]
            [
                0.874065
                0.363045
                0.789015
            ]
            [
                0.48898
                0.125935
                0.789015
            ]
            [
                0.029712
                0.822313
                0.544318
            ]
            [
                0.792601
                0.970288
                0.544318
            ]
            [
                0.177687
                0.207399
                0.544318
            ]
            [
                0.664298
                0.618483
                0.563184
            ]
            [
                0.954184
                0.335702
                0.563184
            ]
            [
                0.381517
                0.045816
                0.563184
            ]
            [
                0.002369
                0.714851
                0.770149
            ]
            [
                0.712482
                0.997631
                0.770149
            ]
            [
                0.285149
                0.287518
                0.770149
            ]
            [
                0.25087
                0.456302
                0.673019
            ]
            [
                0.205432
                0.74913
                0.673019
            ]
            [
                0.543698
                0.794568
                0.673019
            ]
            [
                0.415797
                0.877032
                0.660314
            ]
            [
                0.461235
                0.584203
                0.660314
            ]
            [
                0.122968
                0.538765
                0.660314
            ]
            [
                0.113914
                0.816599
                0.171677
            ]
            [
                0.702685
                0.886086
                0.171677
            ]
            [
                0.183401
                0.297315
                0.171677
            ]
            [
                0.886086
                0.183401
                0.828323
            ]
            [
                0.297315
                0.113914
                0.828323
            ]
            [
                0.816599
                0.702685
                0.828323
            ]
            [
                0.952769
                0.218541
                0.727609
            ]
            [
                0.265773
                0.047231
                0.727609
            ]
            [
                0.781459
                0.734227
                0.727609
            ]
            [
                0.047231
                0.781459
                0.272391
            ]
            [
                0.734227
                0.952769
                0.272391
            ]
            [
                0.218541
                0.265773
                0.272391
            ]
            [
                0.555159
                0.760393
                0.99778
            ]
            [
                0.205234
                0.444841
                0.99778
            ]
            [
                0.239607
                0.794766
                0.99778
            ]
            [
                0.444841
                0.239607
                0.00222
            ]
            [
                0.794766
                0.555159
                0.00222
            ]
            [
                0.760393
                0.205234
                0.00222
            ]
            [
                0.274362
                0.054335
                0.220416
            ]
            [
                0.779973
                0.725638
                0.220416
            ]
            [
                0.945665
                0.220027
                0.220416
            ]
            [
                0.725638
                0.945665
                0.779584
            ]
            [
                0.220027
                0.274362
                0.779584
            ]
            [
                0.054335
                0.779973
                0.779584
            ]
            [
                0.049412
                0.160086
                0.26934
            ]
            [
                0.110674
                0.950588
                0.26934
            ]
            [
                0.839914
                0.889326
                0.26934
            ]
            [
                0.950588
                0.839914
                0.73066
            ]
            [
                0.889326
                0.049412
                0.73066
            ]
            [
                0.160086
                0.110674
                0.73066
            ]
            [
                0.888792
                0.051836
                0.216962
            ]
            [
                0.163043
                0.111208
                0.216962
            ]
            [
                0.948164
                0.836957
                0.216962
            ]
            [
                0.111208
                0.948164
                0.783038
            ]
            [
                0.836957
                0.888792
                0.783038
            ]
            [
                0.051836
                0.163043
                0.783038
            ]
            [
                0.75358
                0.872018
                0.116969
            ]
            [
                0.118438
                0.24642
                0.116969
            ]
            [
                0.127982
                0.881562
                0.116969
            ]
            [
                0.24642
                0.127982
                0.883031
            ]
            [
                0.881562
                0.75358
                0.883031
            ]
            [
                0.872018
                0.118438
                0.883031
            ]
            [
                0.078337
                0.156564
                0.151224
            ]
            [
                0.078227
                0.921663
                0.151224
            ]
            [
                0.843436
                0.921773
                0.151224
            ]
            [
                0.921663
                0.843436
                0.848776
            ]
            [
                0.921773
                0.078337
                0.848776
            ]
            [
                0.156564
                0.078227
                0.848776
            ]
            [
                0.78058
                0.149932
                0.50501
            ]
            [
                0.369352
                0.21942
                0.50501
            ]
            [
                0.850068
                0.630648
                0.50501
            ]
            [
                0.552753
                0.516734
                0.161657
            ]
            [
                0.963981
                0.447247
                0.161657
            ]
            [
                0.483266
                0.036019
                0.161657
            ]
            [
                0.619435
                0.551875
                0.060942
            ]
            [
                0.932439
                0.380565
                0.060942
            ]
            [
                0.448125
                0.067561
                0.060942
            ]
            [
                0.713898
                0.114792
                0.605725
            ]
            [
                0.400894
                0.286102
                0.605725
            ]
            [
                0.885208
                0.599106
                0.605725
            ]
            [
                0.221825
                0.093726
                0.331113
            ]
            [
                0.871901
                0.778175
                0.331113
            ]
            [
                0.906274
                0.128099
                0.331113
            ]
            [
                0.111508
                0.572941
                0.335553
            ]
            [
                0.461433
                0.888492
                0.335553
            ]
            [
                0.427059
                0.538567
                0.335553
            ]
            [
                0.941028
                0.387668
                0.55375
            ]
            [
                0.44664
                0.058972
                0.55375
            ]
            [
                0.612332
                0.55336
                0.55375
            ]
            [
                0.392305
                0.278998
                0.112917
            ]
            [
                0.886693
                0.607695
                0.112917
            ]
            [
                0.721002
                0.113307
                0.112917
            ]
            [
                0.716078
                0.493419
                0.602673
            ]
            [
                0.777341
                0.283922
                0.602673
            ]
            [
                0.506581
                0.222659
                0.602673
            ]
            [
                0.617255
                0.173248
                0.063993
            ]
            [
                0.555993
                0.382745
                0.063993
            ]
            [
                0.826752
                0.444007
                0.063993
            ]
            [
                0.555459
                0.385169
                0.550296
            ]
            [
                0.82971
                0.444541
                0.550296
            ]
            [
                0.614831
                0.17029
                0.550296
            ]
            [
                0.777874
                0.281498
                0.116371
            ]
            [
                0.503623
                0.222126
                0.116371
            ]
            [
                0.718502
                0.496377
                0.116371
            ]
            [
                0.420246
                0.205351
                0.450303
            ]
            [
                0.785105
                0.579754
                0.450303
            ]
            [
                0.794649
                0.214895
                0.450303
            ]
            [
                0.913087
                0.461315
                0.216364
            ]
            [
                0.548229
                0.086913
                0.216364
            ]
            [
                0.538685
                0.451771
                0.216364
            ]
            [
                0.745004
                0.489897
                0.484558
            ]
            [
                0.744893
                0.254996
                0.484558
            ]
            [
                0.510103
                0.255107
                0.484558
            ]
            [
                0.588329
                0.176769
                0.182109
            ]
            [
                0.58844
                0.411671
                0.182109
            ]
            [
                0.823231
                0.41156
                0.182109
            ]
            [
                0.447247
                0.483266
                0.838343
            ]
            [
                0.036019
                0.552753
                0.838343
            ]
            [
                0.516734
                0.963981
                0.838343
            ]
            [
                0.21942
                0.850068
                0.49499
            ]
            [
                0.630648
                0.78058
                0.49499
            ]
            [
                0.149932
                0.369352
                0.49499
            ]
            [
                0.286102
                0.885208
                0.394275
            ]
            [
                0.599106
                0.713898
                0.394275
            ]
            [
                0.114792
                0.400894
                0.394275
            ]
            [
                0.380565
                0.448125
                0.939058
            ]
            [
                0.067561
                0.619435
                0.939058
            ]
            [
                0.551875
                0.932439
                0.939058
            ]
            [
                0.888492
                0.427059
                0.664447
            ]
            [
                0.538567
                0.111508
                0.664447
            ]
            [
                0.572941
                0.461433
                0.664447
            ]
            [
                0.778175
                0.906274
                0.668887
            ]
            [
                0.128099
                0.221825
                0.668887
            ]
            [
                0.093726
                0.871901
                0.668887
            ]
            [
                0.607695
                0.721002
                0.887083
            ]
            [
                0.113307
                0.392305
                0.887083
            ]
            [
                0.278998
                0.886693
                0.887083
            ]
            [
                0.058972
                0.612332
                0.44625
            ]
            [
                0.55336
                0.941028
                0.44625
            ]
            [
                0.387668
                0.44664
                0.44625
            ]
            [
                0.382745
                0.826752
                0.936007
            ]
            [
                0.444007
                0.617255
                0.936007
            ]
            [
                0.173248
                0.555993
                0.936007
            ]
            [
                0.283922
                0.506581
                0.397327
            ]
            [
                0.222659
                0.716078
                0.397327
            ]
            [
                0.493419
                0.777341
                0.397327
            ]
            [
                0.222126
                0.718502
                0.883629
            ]
            [
                0.496377
                0.777874
                0.883629
            ]
            [
                0.281498
                0.503623
                0.883629
            ]
            [
                0.444541
                0.614831
                0.449704
            ]
            [
                0.17029
                0.555459
                0.449704
            ]
            [
                0.385169
                0.82971
                0.449704
            ]
            [
                0.086913
                0.538685
                0.783636
            ]
            [
                0.451771
                0.913087
                0.783636
            ]
            [
                0.461315
                0.548229
                0.783636
            ]
            [
                0.579754
                0.794649
                0.549697
            ]
            [
                0.214895
                0.420246
                0.549697
            ]
            [
                0.205351
                0.785105
                0.549697
            ]
            [
                0.411671
                0.823231
                0.817891
            ]
            [
                0.41156
                0.588329
                0.817891
            ]
            [
                0.176769
                0.58844
                0.817891
            ]
            [
                0.254996
                0.510103
                0.515442
            ]
            [
                0.255107
                0.745004
                0.515442
            ]
            [
                0.489897
                0.744893
                0.515442
            ]
        ]
    }
    "species" {
        "source-value" [
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "Cd"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "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"
            "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"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 16.40667433
        "source-unit" "angstrom"
    }
    "alpha" {
        "source-value" 90
        "source-unit" "degree"
    }
}