{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "I-4"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.247773
                0.752113
                0.667646
            ]
            [
                0.62594
                0.930033
                0.493796
            ]
            [
                0.243475
                0.998788
                0.502675
            ]
            [
                0.624235
                0.068986
                0.504908
            ]
            [
                0.001212
                0.243475
                0.497325
            ]
            [
                0.931014
                0.624235
                0.495092
            ]
            [
                0.069967
                0.62594
                0.506204
            ]
            [
                0.998788
                0.756525
                0.497325
            ]
            [
                0.37406
                0.069967
                0.493796
            ]
            [
                0.752227
                0.247887
                0.667646
            ]
            [
                0.930033
                0.37406
                0.506204
            ]
            [
                0.068986
                0.375765
                0.495092
            ]
            [
                0.756525
                0.001212
                0.502675
            ]
            [
                0.375765
                0.931014
                0.504908
            ]
            [
                0.247887
                0.247773
                0.332354
            ]
            [
                0.752113
                0.752227
                0.332354
            ]
            [
                0.747773
                0.252113
                0.167646
            ]
            [
                0.12594
                0.430033
                0.993796
            ]
            [
                0.743475
                0.498788
                0.002675
            ]
            [
                0.124235
                0.568986
                0.004908
            ]
            [
                0.501212
                0.743475
                0.997325
            ]
            [
                0.431014
                0.124235
                0.995092
            ]
            [
                0.569967
                0.12594
                0.006204
            ]
            [
                0.498788
                0.256525
                0.997325
            ]
            [
                0.87406
                0.569967
                0.993796
            ]
            [
                0.252227
                0.747887
                0.167646
            ]
            [
                0.430033
                0.87406
                0.006204
            ]
            [
                0.568986
                0.875765
                0.995092
            ]
            [
                0.256525
                0.501212
                0.002675
            ]
            [
                0.875765
                0.431014
                0.004908
            ]
            [
                0.747887
                0.747773
                0.832354
            ]
            [
                0.252113
                0.252227
                0.832354
            ]
            [
                0.140854
                0.000265
                0.998726
            ]
            [
                0.999735
                0.140854
                0.001274
            ]
            [
                0.000265
                0.859146
                0.001274
            ]
            [
                0.859146
                0.999735
                0.998726
            ]
            [
                0.640854
                0.500265
                0.498726
            ]
            [
                0.499735
                0.640854
                0.501274
            ]
            [
                0.500265
                0.359146
                0.501274
            ]
            [
                0.359146
                0.499735
                0.498726
            ]
            [
                0.095677
                0.283596
                0.014037
            ]
            [
                0.284081
                0.095028
                0.014163
            ]
            [
                0.095028
                0.715919
                0.985837
            ]
            [
                0.716404
                0.095677
                0.985963
            ]
            [
                0.131041
                0.87015
                0.500448
            ]
            [
                0.87015
                0.868959
                0.499552
            ]
            [
                0.12985
                0.131041
                0.499552
            ]
            [
                0
                0
                0.5
            ]
            [
                0.283596
                0.904323
                0.985963
            ]
            [
                0.868959
                0.12985
                0.500448
            ]
            [
                0.904972
                0.284081
                0.985837
            ]
            [
                0
                0.5
                0.75
            ]
            [
                0.715919
                0.904972
                0.014163
            ]
            [
                0.904323
                0.716404
                0.014037
            ]
            [
                0.595677
                0.783596
                0.514037
            ]
            [
                0.784081
                0.595028
                0.514163
            ]
            [
                0.595028
                0.215919
                0.485837
            ]
            [
                0.216404
                0.595677
                0.485963
            ]
            [
                0.631041
                0.37015
                0.000448
            ]
            [
                0.37015
                0.368959
                0.999552
            ]
            [
                0.62985
                0.631041
                0.999552
            ]
            [
                0.5
                0.5
                0
            ]
            [
                0.783596
                0.404323
                0.485963
            ]
            [
                0.368959
                0.62985
                0.000448
            ]
            [
                0.404972
                0.784081
                0.485837
            ]
            [
                0.5
                0
                0.25
            ]
            [
                0.215919
                0.404972
                0.514163
            ]
            [
                0.404323
                0.216404
                0.514037
            ]
            [
                0.735131
                0.174317
                0.919642
            ]
            [
                0.186688
                0.814032
                0.41925
            ]
            [
                0.696922
                0.053679
                0.709182
            ]
            [
                0.045763
                0.047047
                0.292015
            ]
            [
                0.814032
                0.813312
                0.58075
            ]
            [
                0.094275
                0.905848
                0.224803
            ]
            [
                0.945298
                0.222696
                0.16978
            ]
            [
                0.070433
                0.17196
                0.31966
            ]
            [
                0.054756
                0.22249
                0.830518
            ]
            [
                0.266433
                0.174209
                0.074301
            ]
            [
                0.825791
                0.266433
                0.925699
            ]
            [
                0.733567
                0.825791
                0.074301
            ]
            [
                0.829803
                0.927558
                0.316314
            ]
            [
                0.354023
                0.092805
                0.833348
            ]
            [
                0.35243
                0.903304
                0.171753
            ]
            [
                0.43169
                0.001315
                0.441979
            ]
            [
                0.825683
                0.735131
                0.080358
            ]
            [
                0.072442
                0.829803
                0.683686
            ]
            [
                0.054702
                0.777304
                0.16978
            ]
            [
                0.777304
                0.945298
                0.83022
            ]
            [
                0.905848
                0.905725
                0.775197
            ]
            [
                0.300384
                0.054166
                0.296002
            ]
            [
                0.17196
                0.929567
                0.68034
            ]
            [
                0.645977
                0.907195
                0.833348
            ]
            [
                0.170197
                0.072442
                0.316314
            ]
            [
                0.56831
                0.998685
                0.441979
            ]
            [
                0.047047
                0.954237
                0.707985
            ]
            [
                0.905725
                0.094152
                0.224803
            ]
            [
                0.82804
                0.070433
                0.68034
            ]
            [
                0.946321
                0.696922
                0.290818
            ]
            [
                0.092805
                0.645977
                0.166652
            ]
            [
                0.264869
                0.825683
                0.919642
            ]
            [
                0.945834
                0.300384
                0.703998
            ]
            [
                0.185968
                0.186688
                0.58075
            ]
            [
                0.094152
                0.094275
                0.775197
            ]
            [
                0.054166
                0.699616
                0.703998
            ]
            [
                0.699616
                0.945834
                0.296002
            ]
            [
                0.001315
                0.56831
                0.558021
            ]
            [
                0.77751
                0.054756
                0.169482
            ]
            [
                0.096696
                0.35243
                0.828247
            ]
            [
                0.954237
                0.952953
                0.292015
            ]
            [
                0.907195
                0.354023
                0.166652
            ]
            [
                0.952953
                0.045763
                0.707985
            ]
            [
                0.222696
                0.054702
                0.83022
            ]
            [
                0.22249
                0.945244
                0.169482
            ]
            [
                0.303078
                0.946321
                0.709182
            ]
            [
                0.813312
                0.185968
                0.41925
            ]
            [
                0.64757
                0.096696
                0.171753
            ]
            [
                0.903304
                0.64757
                0.828247
            ]
            [
                0.929567
                0.82804
                0.31966
            ]
            [
                0.998685
                0.43169
                0.558021
            ]
            [
                0.945244
                0.77751
                0.830518
            ]
            [
                0.927558
                0.170197
                0.683686
            ]
            [
                0.174209
                0.733567
                0.925699
            ]
            [
                0.053679
                0.303078
                0.290818
            ]
            [
                0.174317
                0.264869
                0.080358
            ]
            [
                0.235131
                0.674317
                0.419642
            ]
            [
                0.686688
                0.314032
                0.91925
            ]
            [
                0.196922
                0.553679
                0.209182
            ]
            [
                0.545763
                0.547047
                0.792015
            ]
            [
                0.314032
                0.313312
                0.08075
            ]
            [
                0.594275
                0.405848
                0.724803
            ]
            [
                0.445298
                0.722696
                0.66978
            ]
            [
                0.570433
                0.67196
                0.81966
            ]
            [
                0.554756
                0.72249
                0.330518
            ]
            [
                0.766433
                0.674209
                0.574301
            ]
            [
                0.325791
                0.766433
                0.425699
            ]
            [
                0.233567
                0.325791
                0.574301
            ]
            [
                0.329803
                0.427558
                0.816314
            ]
            [
                0.854023
                0.592805
                0.333348
            ]
            [
                0.85243
                0.403304
                0.671753
            ]
            [
                0.93169
                0.501315
                0.941979
            ]
            [
                0.325683
                0.235131
                0.580358
            ]
            [
                0.572442
                0.329803
                0.183686
            ]
            [
                0.554702
                0.277304
                0.66978
            ]
            [
                0.277304
                0.445298
                0.33022
            ]
            [
                0.405848
                0.405725
                0.275197
            ]
            [
                0.800384
                0.554166
                0.796002
            ]
            [
                0.67196
                0.429567
                0.18034
            ]
            [
                0.145977
                0.407195
                0.333348
            ]
            [
                0.670197
                0.572442
                0.816314
            ]
            [
                0.06831
                0.498685
                0.941979
            ]
            [
                0.547047
                0.454237
                0.207985
            ]
            [
                0.405725
                0.594152
                0.724803
            ]
            [
                0.32804
                0.570433
                0.18034
            ]
            [
                0.446321
                0.196922
                0.790818
            ]
            [
                0.592805
                0.145977
                0.666652
            ]
            [
                0.764869
                0.325683
                0.419642
            ]
            [
                0.445834
                0.800384
                0.203998
            ]
            [
                0.685968
                0.686688
                0.08075
            ]
            [
                0.594152
                0.594275
                0.275197
            ]
            [
                0.554166
                0.199616
                0.203998
            ]
            [
                0.199616
                0.445834
                0.796002
            ]
            [
                0.501315
                0.06831
                0.058021
            ]
            [
                0.27751
                0.554756
                0.669482
            ]
            [
                0.596696
                0.85243
                0.328247
            ]
            [
                0.454237
                0.452953
                0.792015
            ]
            [
                0.407195
                0.854023
                0.666652
            ]
            [
                0.452953
                0.545763
                0.207985
            ]
            [
                0.722696
                0.554702
                0.33022
            ]
            [
                0.72249
                0.445244
                0.669482
            ]
            [
                0.803078
                0.446321
                0.209182
            ]
            [
                0.313312
                0.685968
                0.91925
            ]
            [
                0.14757
                0.596696
                0.671753
            ]
            [
                0.403304
                0.14757
                0.328247
            ]
            [
                0.429567
                0.32804
                0.81966
            ]
            [
                0.498685
                0.93169
                0.058021
            ]
            [
                0.445244
                0.27751
                0.330518
            ]
            [
                0.427558
                0.670197
                0.183686
            ]
            [
                0.674209
                0.233567
                0.425699
            ]
            [
                0.553679
                0.803078
                0.790818
            ]
            [
                0.674317
                0.764869
                0.580358
            ]
        ]
    }
    "species" {
        "source-value" [
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "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" 21.5063771935
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 5.38002570782
        "source-unit" "angstrom"
    }
}