{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "P321"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0
                0.349756
                0
            ]
            [
                0.9997
                0.649661
                0.359521
            ]
            [
                0.015375
                0.333124
                0.570632
            ]
            [
                0.670507
                0
                0.5
            ]
            [
                0.0003
                0.649961
                0.640479
            ]
            [
                0.681533
                0.667579
                0.710677
            ]
            [
                0.998417
                0.667853
                0.784373
            ]
            [
                0.667579
                0.681533
                0.289323
            ]
            [
                0.318467
                0.986046
                0.289323
            ]
            [
                0.331119
                0.315415
                0.070304
            ]
            [
                0.013954
                0.332421
                0.289323
            ]
            [
                0.330564
                0.332147
                0.215627
            ]
            [
                0.668881
                0.984296
                0.929696
            ]
            [
                0.649661
                0.9997
                0.640479
            ]
            [
                0.997651
                0.329561
                0.143709
            ]
            [
                0.667853
                0.998417
                0.215627
            ]
            [
                0.350039
                0.350339
                0.640479
            ]
            [
                0.666876
                0.68225
                0.570632
            ]
            [
                0.350339
                0.350039
                0.359521
            ]
            [
                0.669436
                0.001583
                0.784373
            ]
            [
                0.332421
                0.013954
                0.710677
            ]
            [
                0.001583
                0.669436
                0.215627
            ]
            [
                0.33191
                0.002349
                0.143709
            ]
            [
                0.650244
                0.650244
                0
            ]
            [
                0.31775
                0.984625
                0.570632
            ]
            [
                0.002349
                0.33191
                0.856291
            ]
            [
                0.66809
                0.670439
                0.856291
            ]
            [
                0.649961
                0.0003
                0.359521
            ]
            [
                0.329493
                0.329493
                0.5
            ]
            [
                0.349756
                0
                0
            ]
            [
                0.986046
                0.318467
                0.710677
            ]
            [
                0.015704
                0.684585
                0.929696
            ]
            [
                0.332147
                0.330564
                0.784373
            ]
            [
                0.329561
                0.997651
                0.856291
            ]
            [
                0.984296
                0.668881
                0.070304
            ]
            [
                0.684585
                0.015704
                0.070304
            ]
            [
                0.68225
                0.666876
                0.429368
            ]
            [
                0.315415
                0.331119
                0.929696
            ]
            [
                0.333124
                0.015375
                0.429368
            ]
            [
                0.670439
                0.66809
                0.143709
            ]
            [
                0.984625
                0.31775
                0.429368
            ]
            [
                0
                0.670507
                0.5
            ]
            [
                0
                0
                0.902876
            ]
            [
                0.666667
                0.333333
                0.752882
            ]
            [
                0.666667
                0.333333
                0.028259
            ]
            [
                0
                0
                0.1806
            ]
            [
                0
                0
                0.8194
            ]
            [
                0
                0
                0.097124
            ]
            [
                0.666667
                0.333333
                0.669935
            ]
            [
                0.333333
                0.666667
                0.971741
            ]
            [
                0.333333
                0.666667
                0.163041
            ]
            [
                0.333333
                0.666667
                0.610246
            ]
            [
                0.666667
                0.333333
                0.389754
            ]
            [
                0.333333
                0.666667
                0.888599
            ]
            [
                0
                0
                0.263581
            ]
            [
                0.333333
                0.666667
                0.330065
            ]
            [
                0.666667
                0.333333
                0.111401
            ]
            [
                0.666667
                0.333333
                0.195309
            ]
            [
                0
                0
                0.736419
            ]
            [
                0.333333
                0.666667
                0.247118
            ]
            [
                0.666667
                0.333333
                0.476953
            ]
            [
                0.666667
                0.333333
                0.836959
            ]
            [
                0.333333
                0.666667
                0.804691
            ]
            [
                0
                0
                0.457076
            ]
            [
                0.333333
                0.666667
                0.523047
            ]
            [
                0
                0
                0.542924
            ]
            [
                0
                0
                0.360293
            ]
            [
                0
                0
                0.639707
            ]
            [
                0.666667
                0.333333
                0.292365
            ]
            [
                0.333333
                0.666667
                0.425975
            ]
            [
                0.666667
                0.333333
                0.932912
            ]
            [
                0
                0
                0
            ]
            [
                0.333333
                0.666667
                0.707635
            ]
            [
                0.333333
                0.666667
                0.067088
            ]
            [
                0.666667
                0.333333
                0.574025
            ]
            [
                0.152372
                0.160311
                0.418205
            ]
            [
                0
                0.158332
                0.5
            ]
            [
                0.833619
                0.342788
                0.070726
            ]
            [
                0.184705
                0.670296
                0.123453
            ]
            [
                0.676801
                0.183403
                0.989151
            ]
            [
                0.847628
                0.007939
                0.581795
            ]
            [
                0.342788
                0.833619
                0.929274
            ]
            [
                0.340305
                0.508064
                0.287617
            ]
            [
                0.821252
                0.339056
                0.516291
            ]
            [
                0.676079
                0.494708
                0.631222
            ]
            [
                0.517805
                0.178748
                0.516291
            ]
            [
                0.491936
                0.832241
                0.287617
            ]
            [
                0.838791
                0.997823
                0.859736
            ]
            [
                0.509169
                0.166381
                0.070726
            ]
            [
                0.332756
                0.824968
                0.206458
            ]
            [
                0.832241
                0.491936
                0.712383
            ]
            [
                0.181371
                0.505292
                0.368778
            ]
            [
                0.660944
                0.482195
                0.516291
            ]
            [
                0.659695
                0.167759
                0.712383
            ]
            [
                0.179096
                0.520372
                0.765303
            ]
            [
                0.48559
                0.815295
                0.123453
            ]
            [
                0.494708
                0.676079
                0.368778
            ]
            [
                0.505292
                0.181371
                0.631222
            ]
            [
                0.175032
                0.507788
                0.206458
            ]
            [
                0.00079
                0.160644
                0.220516
            ]
            [
                0.161209
                0.159032
                0.140264
            ]
            [
                0.479628
                0.658724
                0.765303
            ]
            [
                0.327748
                0.505209
                0.848397
            ]
            [
                0.183403
                0.676801
                0.010849
            ]
            [
                0.658724
                0.479628
                0.234697
            ]
            [
                0.506602
                0.323199
                0.989151
            ]
            [
                0.657212
                0.490831
                0.070726
            ]
            [
                0.160644
                0.00079
                0.779484
            ]
            [
                0.493398
                0.816597
                0.010849
            ]
            [
                0.490831
                0.657212
                0.929274
            ]
            [
                0.007313
                0.15775
                0.057726
            ]
            [
                0.820904
                0.341276
                0.234697
            ]
            [
                0.182683
                0.508867
                0.649919
            ]
            [
                0.491133
                0.673816
                0.649919
            ]
            [
                0.007939
                0.847628
                0.418205
            ]
            [
                0.841668
                0.841668
                0.5
            ]
            [
                0.177461
                0.672252
                0.848397
            ]
            [
                0.323921
                0.818629
                0.368778
            ]
            [
                0.159032
                0.161209
                0.859736
            ]
            [
                0.51441
                0.329704
                0.876547
            ]
            [
                0.326184
                0.817317
                0.649919
            ]
            [
                0.492212
                0.667244
                0.206458
            ]
            [
                0.505209
                0.327748
                0.151603
            ]
            [
                0.006867
                0.848414
                0.697481
            ]
            [
                0.818629
                0.323921
                0.631222
            ]
            [
                0.329704
                0.51441
                0.123453
            ]
            [
                0.840145
                0.839356
                0.779484
            ]
            [
                0.827161
                0.490381
                0.43319
            ]
            [
                0.158453
                0.151586
                0.302519
            ]
            [
                0.509619
                0.336781
                0.43319
            ]
            [
                0.667244
                0.492212
                0.793542
            ]
            [
                0.178748
                0.517805
                0.483709
            ]
            [
                0.339056
                0.821252
                0.483709
            ]
            [
                0.840968
                0.002177
                0.140264
            ]
            [
                0.663219
                0.172839
                0.43319
            ]
            [
                0.507788
                0.175032
                0.793542
            ]
            [
                0.336781
                0.509619
                0.56681
            ]
            [
                0.817317
                0.326184
                0.350081
            ]
            [
                0.158332
                0
                0.5
            ]
            [
                0.166381
                0.509169
                0.929274
            ]
            [
                0.673816
                0.491133
                0.350081
            ]
            [
                0.815295
                0.48559
                0.876547
            ]
            [
                0.849563
                0.84225
                0.942274
            ]
            [
                0.341276
                0.820904
                0.765303
            ]
            [
                0.508064
                0.340305
                0.712383
            ]
            [
                0.848414
                0.006867
                0.302519
            ]
            [
                0.159855
                0.99921
                0.220516
            ]
            [
                0.15775
                0.007313
                0.942274
            ]
            [
                0.841547
                0.993133
                0.697481
            ]
            [
                0.992061
                0.839689
                0.581795
            ]
            [
                0.824968
                0.332756
                0.793542
            ]
            [
                0.672252
                0.177461
                0.151603
            ]
            [
                0.323199
                0.506602
                0.010849
            ]
            [
                0.508867
                0.182683
                0.350081
            ]
            [
                0.670296
                0.184705
                0.876547
            ]
            [
                0.167759
                0.659695
                0.287617
            ]
            [
                0.494791
                0.822539
                0.848397
            ]
            [
                0.520372
                0.179096
                0.234697
            ]
            [
                0.839356
                0.840145
                0.220516
            ]
            [
                0.997823
                0.838791
                0.140264
            ]
            [
                0.150437
                0.992687
                0.057726
            ]
            [
                0.99921
                0.159855
                0.779484
            ]
            [
                0.490381
                0.827161
                0.56681
            ]
            [
                0.002177
                0.840968
                0.859736
            ]
            [
                0.993133
                0.841547
                0.302519
            ]
            [
                0.160311
                0.152372
                0.581795
            ]
            [
                0.822539
                0.494791
                0.151603
            ]
            [
                0.151586
                0.158453
                0.697481
            ]
            [
                0.84225
                0.849563
                0.057726
            ]
            [
                0.172839
                0.663219
                0.56681
            ]
            [
                0.482195
                0.660944
                0.483709
            ]
            [
                0.992687
                0.150437
                0.942274
            ]
            [
                0.816597
                0.493398
                0.989151
            ]
            [
                0.839689
                0.992061
                0.418205
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Ir"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "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" 10.20827266
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 30.78914979
        "source-unit" "angstrom"
    }
}