{
    "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" [
            [
                0.18204
                0.440167
                0.083114
            ]
            [
                0.31796
                0.940167
                0.416886
            ]
            [
                0.81796
                0.559833
                0.916886
            ]
            [
                0.68204
                0.059833
                0.583114
            ]
            [
                0.68204
                0.940167
                0.083114
            ]
            [
                0.81796
                0.440167
                0.416886
            ]
            [
                0.31796
                0.059833
                0.916886
            ]
            [
                0.18204
                0.559833
                0.583114
            ]
            [
                0.257386
                0.078648
                0.086256
            ]
            [
                0.742614
                0.078648
                0.413744
            ]
            [
                0.742614
                0.921352
                0.913744
            ]
            [
                0.257386
                0.921352
                0.586256
            ]
            [
                0.85835
                0.670483
                0.292966
            ]
            [
                0.14165
                0.670483
                0.207034
            ]
            [
                0.14165
                0.329517
                0.707034
            ]
            [
                0.85835
                0.329517
                0.792966
            ]
            [
                0.478471
                0.906408
                0.871118
            ]
            [
                0.521529
                0.906408
                0.628882
            ]
            [
                0.521529
                0.093592
                0.128882
            ]
            [
                0.478471
                0.093592
                0.371118
            ]
            [
                0.970597
                0.602504
                0.845002
            ]
            [
                0.029403
                0.602504
                0.654998
            ]
            [
                0.029403
                0.397496
                0.154998
            ]
            [
                0.970597
                0.397496
                0.345002
            ]
            [
                0.119817
                0.850895
                0.940459
            ]
            [
                0.880183
                0.850895
                0.559541
            ]
            [
                0.880183
                0.149105
                0.059541
            ]
            [
                0.119817
                0.149105
                0.440459
            ]
            [
                0.062903
                0.831397
                0.938819
            ]
            [
                0.937097
                0.831397
                0.561181
            ]
            [
                0.937097
                0.168603
                0.061181
            ]
            [
                0.062903
                0.168603
                0.438819
            ]
            [
                0.011249
                0.115278
                0.718175
            ]
            [
                0.988751
                0.115278
                0.781825
            ]
            [
                0.988751
                0.884722
                0.281825
            ]
            [
                0.011249
                0.884722
                0.218175
            ]
            [
                0.757386
                0.578648
                0.086256
            ]
            [
                0.242614
                0.578648
                0.413744
            ]
            [
                0.242614
                0.421352
                0.913744
            ]
            [
                0.757386
                0.421352
                0.586256
            ]
            [
                0.35835
                0.170483
                0.292966
            ]
            [
                0.64165
                0.170483
                0.207034
            ]
            [
                0.64165
                0.829517
                0.707034
            ]
            [
                0.35835
                0.829517
                0.792966
            ]
            [
                0.978471
                0.406408
                0.871118
            ]
            [
                0.021529
                0.406408
                0.628882
            ]
            [
                0.021529
                0.593592
                0.128882
            ]
            [
                0.978471
                0.593592
                0.371118
            ]
            [
                0.470597
                0.102504
                0.845002
            ]
            [
                0.529403
                0.102504
                0.654998
            ]
            [
                0.529403
                0.897496
                0.154998
            ]
            [
                0.470597
                0.897496
                0.345002
            ]
            [
                0.619817
                0.350895
                0.940459
            ]
            [
                0.380183
                0.350895
                0.559541
            ]
            [
                0.380183
                0.649105
                0.059541
            ]
            [
                0.619817
                0.649105
                0.440459
            ]
            [
                0.562903
                0.331397
                0.938819
            ]
            [
                0.437097
                0.331397
                0.561181
            ]
            [
                0.437097
                0.668603
                0.061181
            ]
            [
                0.562903
                0.668603
                0.438819
            ]
            [
                0.511249
                0.615278
                0.718175
            ]
            [
                0.488751
                0.615278
                0.781825
            ]
            [
                0.488751
                0.384722
                0.281825
            ]
            [
                0.511249
                0.384722
                0.218175
            ]
            [
                0.872796
                0.086197
                0.222471
            ]
            [
                0.127204
                0.086197
                0.277529
            ]
            [
                0.127204
                0.913803
                0.777529
            ]
            [
                0.872796
                0.913803
                0.722471
            ]
            [
                0.412114
                0.685741
                0.370783
            ]
            [
                0.087886
                0.185741
                0.129217
            ]
            [
                0.587886
                0.314259
                0.629217
            ]
            [
                0.912114
                0.814259
                0.870783
            ]
            [
                0.372796
                0.586197
                0.222471
            ]
            [
                0.627204
                0.586197
                0.277529
            ]
            [
                0.627204
                0.413803
                0.777529
            ]
            [
                0.372796
                0.413803
                0.722471
            ]
            [
                0.912114
                0.185741
                0.370783
            ]
            [
                0.587886
                0.685741
                0.129217
            ]
            [
                0.087886
                0.814259
                0.629217
            ]
            [
                0.412114
                0.314259
                0.870783
            ]
            [
                0.285744
                0.503744
                0.085597
            ]
            [
                0.214256
                0.003744
                0.414403
            ]
            [
                0.714256
                0.496256
                0.914403
            ]
            [
                0.785744
                0.996256
                0.585597
            ]
            [
                0.930636
                0.098056
                0.247713
            ]
            [
                0.069364
                0.098056
                0.252287
            ]
            [
                0.069364
                0.901944
                0.752287
            ]
            [
                0.930636
                0.901944
                0.747713
            ]
            [
                0.35491
                0.675879
                0.345865
            ]
            [
                0.14509
                0.175879
                0.154135
            ]
            [
                0.64509
                0.324121
                0.654135
            ]
            [
                0.85491
                0.824121
                0.845865
            ]
            [
                0.49815
                0.773424
                0.504139
            ]
            [
                0.00185
                0.273424
                0.995861
            ]
            [
                0.50185
                0.226576
                0.495861
            ]
            [
                0.99815
                0.726576
                0.004139
            ]
            [
                0.286227
                0.12805
                0.190192
            ]
            [
                0.213773
                0.62805
                0.309808
            ]
            [
                0.713773
                0.87195
                0.809808
            ]
            [
                0.786227
                0.37195
                0.690192
            ]
            [
                0.472125
                0.995944
                0.813278
            ]
            [
                0.027875
                0.495944
                0.686722
            ]
            [
                0.527875
                0.004056
                0.186722
            ]
            [
                0.972125
                0.504056
                0.313278
            ]
            [
                0.131382
                0.80478
                0.020108
            ]
            [
                0.868618
                0.80478
                0.479892
            ]
            [
                0.868618
                0.19522
                0.979892
            ]
            [
                0.131382
                0.19522
                0.520108
            ]
            [
                0
                0.192782
                0.75
            ]
            [
                0
                0.807218
                0.25
            ]
            [
                0.785744
                0.003744
                0.085597
            ]
            [
                0.714256
                0.503744
                0.414403
            ]
            [
                0.214256
                0.996256
                0.914403
            ]
            [
                0.285744
                0.496256
                0.585597
            ]
            [
                0.430636
                0.598056
                0.247713
            ]
            [
                0.569364
                0.598056
                0.252287
            ]
            [
                0.569364
                0.401944
                0.752287
            ]
            [
                0.430636
                0.401944
                0.747713
            ]
            [
                0.85491
                0.175879
                0.345865
            ]
            [
                0.64509
                0.675879
                0.154135
            ]
            [
                0.14509
                0.824121
                0.654135
            ]
            [
                0.35491
                0.324121
                0.845865
            ]
            [
                0.99815
                0.273424
                0.504139
            ]
            [
                0.50185
                0.773424
                0.995861
            ]
            [
                0.00185
                0.726576
                0.495861
            ]
            [
                0.49815
                0.226576
                0.004139
            ]
            [
                0.786227
                0.62805
                0.190192
            ]
            [
                0.713773
                0.12805
                0.309808
            ]
            [
                0.213773
                0.37195
                0.809808
            ]
            [
                0.286227
                0.87195
                0.690192
            ]
            [
                0.972125
                0.495944
                0.813278
            ]
            [
                0.527875
                0.995944
                0.686722
            ]
            [
                0.027875
                0.504056
                0.186722
            ]
            [
                0.472125
                0.004056
                0.313278
            ]
            [
                0.631382
                0.30478
                0.020108
            ]
            [
                0.368618
                0.30478
                0.479892
            ]
            [
                0.368618
                0.69522
                0.979892
            ]
            [
                0.631382
                0.69522
                0.520108
            ]
            [
                0.5
                0.692782
                0.75
            ]
            [
                0.5
                0.307218
                0.25
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "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"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "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" 27.6987559252
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 7.85295923438
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 15.0704105465
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 153.409144496
        "source-unit" "degree"
    }
}