{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "C2/c"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0
                0.50965
                0.25
            ]
            [
                0
                0.49035
                0.75
            ]
            [
                0.5
                0.00965
                0.25
            ]
            [
                0.5
                0.99035
                0.75
            ]
            [
                0
                0.5
                0
            ]
            [
                0
                0.5
                0.5
            ]
            [
                0.191117
                0.942808
                0.042165
            ]
            [
                0.808883
                0.942808
                0.457835
            ]
            [
                0.808883
                0.057192
                0.957835
            ]
            [
                0.191117
                0.057192
                0.542165
            ]
            [
                0.5
                0
                0
            ]
            [
                0.5
                0
                0.5
            ]
            [
                0.691117
                0.442808
                0.042165
            ]
            [
                0.308883
                0.442808
                0.457835
            ]
            [
                0.308883
                0.557192
                0.957835
            ]
            [
                0.691117
                0.557192
                0.542165
            ]
            [
                0.071916
                0.004428
                0.101679
            ]
            [
                0.928084
                0.004428
                0.398321
            ]
            [
                0.928084
                0.995572
                0.898321
            ]
            [
                0.071916
                0.995572
                0.601679
            ]
            [
                0.243552
                0.041263
                0.872797
            ]
            [
                0.756448
                0.041263
                0.627203
            ]
            [
                0.756448
                0.958737
                0.127203
            ]
            [
                0.243552
                0.958737
                0.372797
            ]
            [
                0.571916
                0.504428
                0.101679
            ]
            [
                0.428084
                0.504428
                0.398321
            ]
            [
                0.428084
                0.495572
                0.898321
            ]
            [
                0.571916
                0.495572
                0.601679
            ]
            [
                0.743552
                0.541263
                0.872797
            ]
            [
                0.256448
                0.541263
                0.627203
            ]
            [
                0.256448
                0.458737
                0.127203
            ]
            [
                0.743552
                0.458737
                0.372797
            ]
            [
                0.117024
                0.017926
                0.184315
            ]
            [
                0.882976
                0.017926
                0.315685
            ]
            [
                0.882976
                0.982074
                0.815685
            ]
            [
                0.117024
                0.982074
                0.684315
            ]
            [
                0.223107
                0.981528
                0.780097
            ]
            [
                0.776893
                0.981528
                0.719903
            ]
            [
                0.776893
                0.018472
                0.219903
            ]
            [
                0.223107
                0.018472
                0.280097
            ]
            [
                0.89569
                0.638269
                0.026496
            ]
            [
                0.10431
                0.638269
                0.473504
            ]
            [
                0.10431
                0.361731
                0.973504
            ]
            [
                0.89569
                0.361731
                0.526496
            ]
            [
                0.102511
                0.039735
                0.342593
            ]
            [
                0.897489
                0.039735
                0.157407
            ]
            [
                0.897489
                0.960265
                0.657407
            ]
            [
                0.102511
                0.960265
                0.842593
            ]
            [
                0.041089
                0.021049
                0.368013
            ]
            [
                0.958911
                0.021049
                0.131987
            ]
            [
                0.958911
                0.978951
                0.631987
            ]
            [
                0.041089
                0.978951
                0.868013
            ]
            [
                0.162128
                0.5077
                0.313775
            ]
            [
                0.837872
                0.5077
                0.186225
            ]
            [
                0.837872
                0.4923
                0.686225
            ]
            [
                0.162128
                0.4923
                0.813775
            ]
            [
                0.136235
                0.575559
                0.211642
            ]
            [
                0.863765
                0.575559
                0.288358
            ]
            [
                0.863765
                0.424441
                0.788358
            ]
            [
                0.136235
                0.424441
                0.711642
            ]
            [
                0.617024
                0.517926
                0.184315
            ]
            [
                0.382976
                0.517926
                0.315685
            ]
            [
                0.382976
                0.482074
                0.815685
            ]
            [
                0.617024
                0.482074
                0.684315
            ]
            [
                0.723107
                0.481528
                0.780097
            ]
            [
                0.276893
                0.481528
                0.719903
            ]
            [
                0.276893
                0.518472
                0.219903
            ]
            [
                0.723107
                0.518472
                0.280097
            ]
            [
                0.39569
                0.138269
                0.026496
            ]
            [
                0.60431
                0.138269
                0.473504
            ]
            [
                0.60431
                0.861731
                0.973504
            ]
            [
                0.39569
                0.861731
                0.526496
            ]
            [
                0.602511
                0.539735
                0.342593
            ]
            [
                0.397489
                0.539735
                0.157407
            ]
            [
                0.397489
                0.460265
                0.657407
            ]
            [
                0.602511
                0.460265
                0.842593
            ]
            [
                0.541089
                0.521049
                0.368013
            ]
            [
                0.458911
                0.521049
                0.131987
            ]
            [
                0.458911
                0.478951
                0.631987
            ]
            [
                0.541089
                0.478951
                0.868013
            ]
            [
                0.662128
                0.0077
                0.313775
            ]
            [
                0.337872
                0.0077
                0.186225
            ]
            [
                0.337872
                0.9923
                0.686225
            ]
            [
                0.662128
                0.9923
                0.813775
            ]
            [
                0.636235
                0.075559
                0.211642
            ]
            [
                0.363765
                0.075559
                0.288358
            ]
            [
                0.363765
                0.924441
                0.788358
            ]
            [
                0.636235
                0.924441
                0.711642
            ]
            [
                0.926708
                0.516253
                0.057183
            ]
            [
                0.073292
                0.516253
                0.442817
            ]
            [
                0.073292
                0.483747
                0.942817
            ]
            [
                0.926708
                0.483747
                0.557183
            ]
            [
                0.029295
                0.228118
                0.098192
            ]
            [
                0.970705
                0.228118
                0.401808
            ]
            [
                0.970705
                0.771882
                0.901808
            ]
            [
                0.029295
                0.771882
                0.598192
            ]
            [
                0.038558
                0.755377
                0.104372
            ]
            [
                0.961442
                0.755377
                0.395628
            ]
            [
                0.961442
                0.244623
                0.895628
            ]
            [
                0.038558
                0.244623
                0.604372
            ]
            [
                0.058944
                0.016561
                0.316466
            ]
            [
                0.941056
                0.016561
                0.183534
            ]
            [
                0.941056
                0.983439
                0.683534
            ]
            [
                0.058944
                0.983439
                0.816466
            ]
            [
                0.126847
                0.488897
                0.262409
            ]
            [
                0.873153
                0.488897
                0.237591
            ]
            [
                0.873153
                0.511103
                0.737591
            ]
            [
                0.126847
                0.511103
                0.762409
            ]
            [
                0.104387
                0.019012
                0.025333
            ]
            [
                0.895613
                0.019012
                0.474667
            ]
            [
                0.895613
                0.980988
                0.974667
            ]
            [
                0.104387
                0.980988
                0.525333
            ]
            [
                0.192939
                0.95015
                0.914571
            ]
            [
                0.807061
                0.95015
                0.585429
            ]
            [
                0.807061
                0.04985
                0.085429
            ]
            [
                0.192939
                0.04985
                0.414571
            ]
            [
                0.248307
                0.171717
                0.122118
            ]
            [
                0.751693
                0.171717
                0.377882
            ]
            [
                0.751693
                0.828283
                0.877882
            ]
            [
                0.248307
                0.828283
                0.622118
            ]
            [
                0.196195
                0.599319
                0.090258
            ]
            [
                0.803805
                0.599319
                0.409742
            ]
            [
                0.803805
                0.400681
                0.909742
            ]
            [
                0.196195
                0.400681
                0.590258
            ]
            [
                0.426708
                0.016253
                0.057183
            ]
            [
                0.573292
                0.016253
                0.442817
            ]
            [
                0.573292
                0.983747
                0.942817
            ]
            [
                0.426708
                0.983747
                0.557183
            ]
            [
                0.529295
                0.728118
                0.098192
            ]
            [
                0.470705
                0.728118
                0.401808
            ]
            [
                0.470705
                0.271882
                0.901808
            ]
            [
                0.529295
                0.271882
                0.598192
            ]
            [
                0.538558
                0.255377
                0.104372
            ]
            [
                0.461442
                0.255377
                0.395628
            ]
            [
                0.461442
                0.744623
                0.895628
            ]
            [
                0.538558
                0.744623
                0.604372
            ]
            [
                0.558944
                0.516561
                0.316466
            ]
            [
                0.441056
                0.516561
                0.183534
            ]
            [
                0.441056
                0.483439
                0.683534
            ]
            [
                0.558944
                0.483439
                0.816466
            ]
            [
                0.626847
                0.988897
                0.262409
            ]
            [
                0.373153
                0.988897
                0.237591
            ]
            [
                0.373153
                0.011103
                0.737591
            ]
            [
                0.626847
                0.011103
                0.762409
            ]
            [
                0.604387
                0.519012
                0.025333
            ]
            [
                0.395613
                0.519012
                0.474667
            ]
            [
                0.395613
                0.480988
                0.974667
            ]
            [
                0.604387
                0.480988
                0.525333
            ]
            [
                0.692939
                0.45015
                0.914571
            ]
            [
                0.307061
                0.45015
                0.585429
            ]
            [
                0.307061
                0.54985
                0.085429
            ]
            [
                0.692939
                0.54985
                0.414571
            ]
            [
                0.748307
                0.671717
                0.122118
            ]
            [
                0.251693
                0.671717
                0.377882
            ]
            [
                0.251693
                0.328283
                0.877882
            ]
            [
                0.748307
                0.328283
                0.622118
            ]
            [
                0.696195
                0.099319
                0.090258
            ]
            [
                0.303805
                0.099319
                0.409742
            ]
            [
                0.303805
                0.900681
                0.909742
            ]
            [
                0.696195
                0.900681
                0.590258
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Zn"
            "Zn"
            "Zn"
            "Zn"
            "Zn"
            "Zn"
            "Zn"
            "Zn"
            "Zn"
            "Zn"
            "Zn"
            "Zn"
            "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"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "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" 22.91328267
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 5.3398766
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 15.37475991
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 105.25354073
        "source-unit" "degree"
    }
}