{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "Cccm"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.746623
                0.120773
                0.713536
            ]
            [
                0.741615
                0.882429
                0.5
            ]
            [
                0.74998
                0.12394
                0.569639
            ]
            [
                0.258385
                0.117571
                0.5
            ]
            [
                0.74998
                0.87606
                0.930361
            ]
            [
                0.253377
                0.120773
                0.213536
            ]
            [
                0.741615
                0.117571
                0
            ]
            [
                0.746623
                0.120773
                0.286464
            ]
            [
                0.258385
                0.882429
                0
            ]
            [
                0.25002
                0.87606
                0.430361
            ]
            [
                0.253377
                0.879227
                0.286464
            ]
            [
                0.25002
                0.12394
                0.930361
            ]
            [
                0.25002
                0.87606
                0.569639
            ]
            [
                0.74998
                0.87606
                0.069639
            ]
            [
                0.746623
                0.879227
                0.213536
            ]
            [
                0.253377
                0.120773
                0.786464
            ]
            [
                0.253377
                0.879227
                0.713536
            ]
            [
                0.74998
                0.12394
                0.430361
            ]
            [
                0.25002
                0.12394
                0.069639
            ]
            [
                0.746623
                0.879227
                0.786464
            ]
            [
                0.246623
                0.620773
                0.713536
            ]
            [
                0.241615
                0.382429
                0.5
            ]
            [
                0.24998
                0.62394
                0.569639
            ]
            [
                0.758385
                0.617571
                0.5
            ]
            [
                0.24998
                0.37606
                0.930361
            ]
            [
                0.753377
                0.620773
                0.213536
            ]
            [
                0.241615
                0.617571
                0
            ]
            [
                0.246623
                0.620773
                0.286464
            ]
            [
                0.758385
                0.382429
                0
            ]
            [
                0.75002
                0.37606
                0.430361
            ]
            [
                0.753377
                0.379227
                0.286464
            ]
            [
                0.75002
                0.62394
                0.930361
            ]
            [
                0.75002
                0.37606
                0.569639
            ]
            [
                0.24998
                0.37606
                0.069639
            ]
            [
                0.246623
                0.379227
                0.213536
            ]
            [
                0.753377
                0.620773
                0.786464
            ]
            [
                0.753377
                0.379227
                0.713536
            ]
            [
                0.24998
                0.62394
                0.430361
            ]
            [
                0.75002
                0.62394
                0.069639
            ]
            [
                0.246623
                0.379227
                0.786464
            ]
            [
                0.754479
                0.884985
                0.357177
            ]
            [
                0.754479
                0.115015
                0.857177
            ]
            [
                0.245521
                0.115015
                0.357177
            ]
            [
                0.245521
                0.884985
                0.142823
            ]
            [
                0.754479
                0.115015
                0.142823
            ]
            [
                0.245521
                0.884985
                0.857177
            ]
            [
                0.245521
                0.115015
                0.642823
            ]
            [
                0.754479
                0.884985
                0.642823
            ]
            [
                0.254479
                0.384985
                0.357177
            ]
            [
                0.254479
                0.615015
                0.857177
            ]
            [
                0.745521
                0.615015
                0.357177
            ]
            [
                0.745521
                0.384985
                0.142823
            ]
            [
                0.254479
                0.615015
                0.142823
            ]
            [
                0.745521
                0.384985
                0.857177
            ]
            [
                0.745521
                0.615015
                0.642823
            ]
            [
                0.254479
                0.384985
                0.642823
            ]
            [
                0.081066
                0.750158
                0.214858
            ]
            [
                0.081066
                0.750158
                0.785142
            ]
            [
                0.5
                0
                0.900144
            ]
            [
                0.082017
                0.754066
                0.5
            ]
            [
                0.5
                0
                0.799593
            ]
            [
                0.917983
                0.245934
                0.5
            ]
            [
                0
                0
                0.549529
            ]
            [
                0.081066
                0.249842
                0.285142
            ]
            [
                0
                0
                0.849631
            ]
            [
                0.918934
                0.750158
                0.285142
            ]
            [
                0
                0
                0.650369
            ]
            [
                0.082002
                0.250949
                0.570137
            ]
            [
                0.918934
                0.249842
                0.214858
            ]
            [
                0.5
                0
                0.700407
            ]
            [
                0.914977
                0.749237
                0.857092
            ]
            [
                0.918934
                0.750158
                0.714858
            ]
            [
                0.5
                0
                0.599856
            ]
            [
                0
                0
                0.75
            ]
            [
                0
                0
                0.150369
            ]
            [
                0.917998
                0.749051
                0.429863
            ]
            [
                0.5
                0
                0.099856
            ]
            [
                0.917998
                0.250949
                0.070137
            ]
            [
                0.082002
                0.749051
                0.929863
            ]
            [
                0.917998
                0.250949
                0.929863
            ]
            [
                0.918934
                0.249842
                0.785142
            ]
            [
                0.082017
                0.245934
                0
            ]
            [
                0.082002
                0.749051
                0.070137
            ]
            [
                0
                0
                0.349631
            ]
            [
                0.085023
                0.250763
                0.857092
            ]
            [
                0.5
                0
                0.299593
            ]
            [
                0.914977
                0.749237
                0.142908
            ]
            [
                0.914977
                0.250763
                0.642908
            ]
            [
                0.5
                0
                0.200407
            ]
            [
                0
                0
                0.450471
            ]
            [
                0.5
                0
                0.5
            ]
            [
                0.5
                0
                0
            ]
            [
                0.085023
                0.749237
                0.357092
            ]
            [
                0.5
                0
                0.400144
            ]
            [
                0.082002
                0.250949
                0.429863
            ]
            [
                0.085023
                0.749237
                0.642908
            ]
            [
                0.917983
                0.754066
                0
            ]
            [
                0.081066
                0.249842
                0.714858
            ]
            [
                0.917998
                0.749051
                0.570137
            ]
            [
                0
                0
                0.25
            ]
            [
                0
                0
                0.950471
            ]
            [
                0.914977
                0.250763
                0.357092
            ]
            [
                0
                0
                0.049529
            ]
            [
                0.085023
                0.250763
                0.142908
            ]
            [
                0.581066
                0.250158
                0.214858
            ]
            [
                0.581066
                0.250158
                0.785142
            ]
            [
                0
                0.5
                0.900144
            ]
            [
                0.582017
                0.254066
                0.5
            ]
            [
                0
                0.5
                0.799593
            ]
            [
                0.417983
                0.745934
                0.5
            ]
            [
                0.5
                0.5
                0.549529
            ]
            [
                0.581066
                0.749842
                0.285142
            ]
            [
                0.5
                0.5
                0.849631
            ]
            [
                0.418934
                0.250158
                0.285142
            ]
            [
                0.5
                0.5
                0.650369
            ]
            [
                0.582002
                0.750949
                0.570137
            ]
            [
                0.418934
                0.749842
                0.214858
            ]
            [
                0
                0.5
                0.700407
            ]
            [
                0.414977
                0.249237
                0.857092
            ]
            [
                0.418934
                0.250158
                0.714858
            ]
            [
                0
                0.5
                0.599856
            ]
            [
                0.5
                0.5
                0.75
            ]
            [
                0.5
                0.5
                0.150369
            ]
            [
                0.417998
                0.249051
                0.429863
            ]
            [
                0
                0.5
                0.099856
            ]
            [
                0.417998
                0.750949
                0.070137
            ]
            [
                0.582002
                0.249051
                0.929863
            ]
            [
                0.417998
                0.750949
                0.929863
            ]
            [
                0.418934
                0.749842
                0.785142
            ]
            [
                0.582017
                0.745934
                0
            ]
            [
                0.582002
                0.249051
                0.070137
            ]
            [
                0.5
                0.5
                0.349631
            ]
            [
                0.585023
                0.750763
                0.857092
            ]
            [
                0
                0.5
                0.299593
            ]
            [
                0.414977
                0.249237
                0.142908
            ]
            [
                0.414977
                0.750763
                0.642908
            ]
            [
                0
                0.5
                0.200407
            ]
            [
                0.5
                0.5
                0.450471
            ]
            [
                0
                0.5
                0.5
            ]
            [
                0
                0.5
                0
            ]
            [
                0.585023
                0.249237
                0.357092
            ]
            [
                0
                0.5
                0.400144
            ]
            [
                0.582002
                0.750949
                0.429863
            ]
            [
                0.585023
                0.249237
                0.642908
            ]
            [
                0.417983
                0.254066
                0
            ]
            [
                0.581066
                0.749842
                0.714858
            ]
            [
                0.417998
                0.249051
                0.570137
            ]
            [
                0.5
                0.5
                0.25
            ]
            [
                0.5
                0.5
                0.950471
            ]
            [
                0.414977
                0.750763
                0.357092
            ]
            [
                0.5
                0.5
                0.049529
            ]
            [
                0.585023
                0.750763
                0.142908
            ]
            [
                0.910835
                0.247802
                0.285765
            ]
            [
                0.917108
                0.255489
                0.142225
            ]
            [
                0.617021
                0.979699
                0.151341
            ]
            [
                0.913587
                0.249493
                0.42841
            ]
            [
                0.25
                0.75
                0.64177
            ]
            [
                0.089165
                0.247802
                0.785765
            ]
            [
                0.089165
                0.752198
                0.714235
            ]
            [
                0.122077
                0.018058
                0.300697
            ]
            [
                0.086413
                0.249493
                0.07159
            ]
            [
                0.883671
                0.986023
                0
            ]
            [
                0.25
                0.75
                0.35823
            ]
            [
                0.088915
                0.753248
                0
            ]
            [
                0.881753
                0.996395
                0.598577
            ]
            [
                0.617021
                0.020301
                0.651341
            ]
            [
                0.089165
                0.752198
                0.285765
            ]
            [
                0.25
                0.25
                0.709377
            ]
            [
                0.086413
                0.249493
                0.92841
            ]
            [
                0.382975
                0
                0.75
            ]
            [
                0.911085
                0.246752
                0
            ]
            [
                0.25
                0.25
                0.290623
            ]
            [
                0.61842
                0.011537
                0.95046
            ]
            [
                0.61842
                0.988463
                0.54954
            ]
            [
                0.118247
                0.996395
                0.098577
            ]
            [
                0.118247
                0.003605
                0.401423
            ]
            [
                0.122077
                0.981942
                0.800697
            ]
            [
                0.617025
                0
                0.75
            ]
            [
                0.913587
                0.750507
                0.92841
            ]
            [
                0.25
                0.75
                0.790623
            ]
            [
                0.25
                0.25
                0.424607
            ]
            [
                0.082892
                0.255489
                0.642225
            ]
            [
                0.881753
                0.003605
                0.901423
            ]
            [
                0.911085
                0.753248
                0.5
            ]
            [
                0.25
                0.75
                0.5
            ]
            [
                0.382979
                0.979699
                0.348659
            ]
            [
                0.913587
                0.750507
                0.07159
            ]
            [
                0.122077
                0.981942
                0.199303
            ]
            [
                0.082892
                0.255489
                0.357775
            ]
            [
                0.086413
                0.750507
                0.42841
            ]
            [
                0.25
                0.25
                0.85823
            ]
            [
                0.25
                0.25
                0.14177
            ]
            [
                0.61842
                0.011537
                0.04954
            ]
            [
                0.910835
                0.247802
                0.714235
            ]
            [
                0.910835
                0.752198
                0.785765
            ]
            [
                0.082892
                0.744511
                0.142225
            ]
            [
                0.881753
                0.003605
                0.098577
            ]
            [
                0.25
                0.25
                0.575393
            ]
            [
                0.910835
                0.752198
                0.214235
            ]
            [
                0.118247
                0.003605
                0.598577
            ]
            [
                0.38158
                0.988463
                0.95046
            ]
            [
                0.088915
                0.246752
                0.5
            ]
            [
                0.38158
                0.988463
                0.04954
            ]
            [
                0.382979
                0.020301
                0.151341
            ]
            [
                0.116329
                0.013977
                0
            ]
            [
                0.61842
                0.988463
                0.45046
            ]
            [
                0.883671
                0.013977
                0.5
            ]
            [
                0.25
                0.25
                0
            ]
            [
                0.617021
                0.020301
                0.348659
            ]
            [
                0.25
                0.75
                0.924607
            ]
            [
                0.913587
                0.249493
                0.57159
            ]
            [
                0.118247
                0.996395
                0.901423
            ]
            [
                0.877923
                0.981942
                0.699303
            ]
            [
                0.382979
                0.979699
                0.651341
            ]
            [
                0.25
                0.75
                0.209377
            ]
            [
                0.917108
                0.255489
                0.857775
            ]
            [
                0.082892
                0.744511
                0.857775
            ]
            [
                0.881753
                0.996395
                0.401423
            ]
            [
                0.877923
                0.018058
                0.800697
            ]
            [
                0.089165
                0.247802
                0.214235
            ]
            [
                0.122077
                0.018058
                0.699303
            ]
            [
                0.617025
                0
                0.25
            ]
            [
                0.382979
                0.020301
                0.848659
            ]
            [
                0.917108
                0.744511
                0.642225
            ]
            [
                0.617021
                0.979699
                0.848659
            ]
            [
                0.116329
                0.986023
                0.5
            ]
            [
                0.25
                0.75
                0.075393
            ]
            [
                0.877923
                0.018058
                0.199303
            ]
            [
                0.877923
                0.981942
                0.300697
            ]
            [
                0.382975
                0
                0.25
            ]
            [
                0.38158
                0.011537
                0.54954
            ]
            [
                0.086413
                0.750507
                0.57159
            ]
            [
                0.38158
                0.011537
                0.45046
            ]
            [
                0.917108
                0.744511
                0.357775
            ]
            [
                0.410835
                0.747802
                0.285765
            ]
            [
                0.417108
                0.755489
                0.142225
            ]
            [
                0.117021
                0.479699
                0.151341
            ]
            [
                0.413587
                0.749493
                0.42841
            ]
            [
                0.75
                0.25
                0.64177
            ]
            [
                0.589165
                0.747802
                0.785765
            ]
            [
                0.589165
                0.252198
                0.714235
            ]
            [
                0.622077
                0.518058
                0.300697
            ]
            [
                0.586413
                0.749493
                0.07159
            ]
            [
                0.383671
                0.486023
                0
            ]
            [
                0.75
                0.25
                0.35823
            ]
            [
                0.588915
                0.253248
                0
            ]
            [
                0.381753
                0.496395
                0.598577
            ]
            [
                0.117021
                0.520301
                0.651341
            ]
            [
                0.589165
                0.252198
                0.285765
            ]
            [
                0.75
                0.75
                0.709377
            ]
            [
                0.586413
                0.749493
                0.92841
            ]
            [
                0.882975
                0.5
                0.75
            ]
            [
                0.411085
                0.746752
                0
            ]
            [
                0.75
                0.75
                0.290623
            ]
            [
                0.11842
                0.511537
                0.95046
            ]
            [
                0.11842
                0.488463
                0.54954
            ]
            [
                0.618247
                0.496395
                0.098577
            ]
            [
                0.618247
                0.503605
                0.401423
            ]
            [
                0.622077
                0.481942
                0.800697
            ]
            [
                0.117025
                0.5
                0.75
            ]
            [
                0.413587
                0.250507
                0.92841
            ]
            [
                0.75
                0.25
                0.790623
            ]
            [
                0.75
                0.75
                0.424607
            ]
            [
                0.582892
                0.755489
                0.642225
            ]
            [
                0.381753
                0.503605
                0.901423
            ]
            [
                0.411085
                0.253248
                0.5
            ]
            [
                0.75
                0.25
                0.5
            ]
            [
                0.882979
                0.479699
                0.348659
            ]
            [
                0.413587
                0.250507
                0.07159
            ]
            [
                0.622077
                0.481942
                0.199303
            ]
            [
                0.582892
                0.755489
                0.357775
            ]
            [
                0.586413
                0.250507
                0.42841
            ]
            [
                0.75
                0.75
                0.85823
            ]
            [
                0.75
                0.75
                0.14177
            ]
            [
                0.11842
                0.511537
                0.04954
            ]
            [
                0.410835
                0.747802
                0.714235
            ]
            [
                0.410835
                0.252198
                0.785765
            ]
            [
                0.582892
                0.244511
                0.142225
            ]
            [
                0.381753
                0.503605
                0.098577
            ]
            [
                0.75
                0.75
                0.575393
            ]
            [
                0.410835
                0.252198
                0.214235
            ]
            [
                0.618247
                0.503605
                0.598577
            ]
            [
                0.88158
                0.488463
                0.95046
            ]
            [
                0.588915
                0.746752
                0.5
            ]
            [
                0.88158
                0.488463
                0.04954
            ]
            [
                0.882979
                0.520301
                0.151341
            ]
            [
                0.616329
                0.513977
                0
            ]
            [
                0.11842
                0.488463
                0.45046
            ]
            [
                0.383671
                0.513977
                0.5
            ]
            [
                0.75
                0.75
                0
            ]
            [
                0.117021
                0.520301
                0.348659
            ]
            [
                0.75
                0.25
                0.924607
            ]
            [
                0.413587
                0.749493
                0.57159
            ]
            [
                0.618247
                0.496395
                0.901423
            ]
            [
                0.377923
                0.481942
                0.699303
            ]
            [
                0.882979
                0.479699
                0.651341
            ]
            [
                0.75
                0.25
                0.209377
            ]
            [
                0.417108
                0.755489
                0.857775
            ]
            [
                0.582892
                0.244511
                0.857775
            ]
            [
                0.381753
                0.496395
                0.401423
            ]
            [
                0.377923
                0.518058
                0.800697
            ]
            [
                0.589165
                0.747802
                0.214235
            ]
            [
                0.622077
                0.518058
                0.699303
            ]
            [
                0.117025
                0.5
                0.25
            ]
            [
                0.882979
                0.520301
                0.848659
            ]
            [
                0.417108
                0.244511
                0.642225
            ]
            [
                0.117021
                0.479699
                0.848659
            ]
            [
                0.616329
                0.486023
                0.5
            ]
            [
                0.75
                0.25
                0.075393
            ]
            [
                0.377923
                0.518058
                0.199303
            ]
            [
                0.377923
                0.481942
                0.300697
            ]
            [
                0.882975
                0.5
                0.25
            ]
            [
                0.88158
                0.511537
                0.54954
            ]
            [
                0.586413
                0.250507
                0.57159
            ]
            [
                0.88158
                0.511537
                0.45046
            ]
            [
                0.417108
                0.244511
                0.357775
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Pr"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "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" 11.28024652
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 12.85260696
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 27.96809868
        "source-unit" "angstrom"
    }
}