{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "C222"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.949336
                0.739126
                0.253087
            ]
            [
                0.75
                0.75
                0.255108
            ]
            [
                0.047514
                0.139662
                0.256567
            ]
            [
                0.050664
                0.739126
                0.746913
            ]
            [
                0.949336
                0.260874
                0.746913
            ]
            [
                0.14296
                0.86235
                0.249649
            ]
            [
                0.952486
                0.139662
                0.743433
            ]
            [
                0.85704
                0.86235
                0.750351
            ]
            [
                0.65861
                0.871564
                0.746324
            ]
            [
                0.85704
                0.13765
                0.249649
            ]
            [
                0.050664
                0.260874
                0.253087
            ]
            [
                0.054507
                0.623388
                0.751121
            ]
            [
                0.047514
                0.860338
                0.743433
            ]
            [
                0.150674
                0.2565
                0.751347
            ]
            [
                0.75
                0.25
                0.744892
            ]
            [
                0.34139
                0.871564
                0.253676
            ]
            [
                0.952486
                0.860338
                0.256567
            ]
            [
                0.759502
                0.133727
                0.742207
            ]
            [
                0.945493
                0.376612
                0.751121
            ]
            [
                0.150674
                0.7435
                0.248653
            ]
            [
                0.65861
                0.128436
                0.253676
            ]
            [
                0.240498
                0.866273
                0.742207
            ]
            [
                0.945493
                0.623388
                0.248879
            ]
            [
                0.849326
                0.7435
                0.751347
            ]
            [
                0.054507
                0.376612
                0.248879
            ]
            [
                0.240498
                0.133727
                0.257793
            ]
            [
                0.849326
                0.2565
                0.248653
            ]
            [
                0.759502
                0.866273
                0.257793
            ]
            [
                0.34139
                0.128436
                0.746324
            ]
            [
                0.14296
                0.13765
                0.750351
            ]
            [
                0.449336
                0.239126
                0.253087
            ]
            [
                0.25
                0.25
                0.255108
            ]
            [
                0.547514
                0.639662
                0.256567
            ]
            [
                0.550664
                0.239126
                0.746913
            ]
            [
                0.449336
                0.760874
                0.746913
            ]
            [
                0.64296
                0.36235
                0.249649
            ]
            [
                0.452486
                0.639662
                0.743433
            ]
            [
                0.35704
                0.36235
                0.750351
            ]
            [
                0.15861
                0.371564
                0.746324
            ]
            [
                0.35704
                0.63765
                0.249649
            ]
            [
                0.550664
                0.760874
                0.253087
            ]
            [
                0.554507
                0.123388
                0.751121
            ]
            [
                0.547514
                0.360338
                0.743433
            ]
            [
                0.650674
                0.7565
                0.751347
            ]
            [
                0.25
                0.75
                0.744892
            ]
            [
                0.84139
                0.371564
                0.253676
            ]
            [
                0.452486
                0.360338
                0.256567
            ]
            [
                0.259502
                0.633727
                0.742207
            ]
            [
                0.445493
                0.876612
                0.751121
            ]
            [
                0.650674
                0.2435
                0.248653
            ]
            [
                0.15861
                0.628436
                0.253676
            ]
            [
                0.740498
                0.366273
                0.742207
            ]
            [
                0.445493
                0.123388
                0.248879
            ]
            [
                0.349326
                0.2435
                0.751347
            ]
            [
                0.554507
                0.876612
                0.248879
            ]
            [
                0.740498
                0.633727
                0.257793
            ]
            [
                0.349326
                0.7565
                0.248653
            ]
            [
                0.259502
                0.366273
                0.257793
            ]
            [
                0.84139
                0.628436
                0.746324
            ]
            [
                0.64296
                0.63765
                0.750351
            ]
            [
                0.048706
                0.79881
                0.246383
            ]
            [
                0.753884
                0.190661
                0.24466
            ]
            [
                0.853085
                0.197481
                0.747847
            ]
            [
                0.951294
                0.20119
                0.246383
            ]
            [
                0.048706
                0.20119
                0.753617
            ]
            [
                0.853085
                0.802519
                0.252153
            ]
            [
                0.051291
                0.678967
                0.249496
            ]
            [
                0.846655
                0.316582
                0.749363
            ]
            [
                0.948709
                0.321033
                0.249496
            ]
            [
                0.051291
                0.321033
                0.750504
            ]
            [
                0.153345
                0.316582
                0.250637
            ]
            [
                0.246116
                0.190661
                0.75534
            ]
            [
                0.948709
                0.678967
                0.750504
            ]
            [
                0.153345
                0.683418
                0.749363
            ]
            [
                0.753884
                0.809339
                0.75534
            ]
            [
                0.246116
                0.809339
                0.24466
            ]
            [
                0.146915
                0.197481
                0.252153
            ]
            [
                0.846655
                0.683418
                0.250637
            ]
            [
                0.951294
                0.79881
                0.753617
            ]
            [
                0.146915
                0.802519
                0.747847
            ]
            [
                0.548706
                0.29881
                0.246383
            ]
            [
                0.253884
                0.690661
                0.24466
            ]
            [
                0.353085
                0.697481
                0.747847
            ]
            [
                0.451294
                0.70119
                0.246383
            ]
            [
                0.548706
                0.70119
                0.753617
            ]
            [
                0.353085
                0.302519
                0.252153
            ]
            [
                0.551291
                0.178967
                0.249496
            ]
            [
                0.346655
                0.816582
                0.749363
            ]
            [
                0.448709
                0.821033
                0.249496
            ]
            [
                0.551291
                0.821033
                0.750504
            ]
            [
                0.653345
                0.816582
                0.250637
            ]
            [
                0.746116
                0.690661
                0.75534
            ]
            [
                0.448709
                0.178967
                0.750504
            ]
            [
                0.653345
                0.183418
                0.749363
            ]
            [
                0.253884
                0.309339
                0.75534
            ]
            [
                0.746116
                0.309339
                0.24466
            ]
            [
                0.646915
                0.697481
                0.252153
            ]
            [
                0.346655
                0.183418
                0.250637
            ]
            [
                0.451294
                0.29881
                0.753617
            ]
            [
                0.646915
                0.302519
                0.747847
            ]
            [
                0.860792
                0.94798
                0.22963
            ]
            [
                0.670269
                0.04621
                0.774277
            ]
            [
                0.232967
                0.049829
                0.780809
            ]
            [
                0.439183
                0.957708
                0.212048
            ]
            [
                0.439183
                0.042292
                0.787952
            ]
            [
                0.139208
                0.94798
                0.77037
            ]
            [
                0.953736
                0.053773
                0.220165
            ]
            [
                0.232967
                0.950171
                0.219191
            ]
            [
                0.767033
                0.049829
                0.219191
            ]
            [
                0.046264
                0.946227
                0.220165
            ]
            [
                0.953736
                0.946227
                0.779835
            ]
            [
                0.139208
                0.05202
                0.22963
            ]
            [
                0.560817
                0.957708
                0.787952
            ]
            [
                0.860792
                0.05202
                0.77037
            ]
            [
                0.329731
                0.04621
                0.225723
            ]
            [
                0.046264
                0.053773
                0.779835
            ]
            [
                0.560817
                0.042292
                0.212048
            ]
            [
                0.767033
                0.950171
                0.780809
            ]
            [
                0.670269
                0.95379
                0.225723
            ]
            [
                0.329731
                0.95379
                0.774277
            ]
            [
                0.360792
                0.44798
                0.22963
            ]
            [
                0.170269
                0.54621
                0.774277
            ]
            [
                0.732967
                0.549829
                0.780809
            ]
            [
                0.939183
                0.457708
                0.212048
            ]
            [
                0.939183
                0.542292
                0.787952
            ]
            [
                0.639208
                0.44798
                0.77037
            ]
            [
                0.453736
                0.553773
                0.220165
            ]
            [
                0.732967
                0.450171
                0.219191
            ]
            [
                0.267033
                0.549829
                0.219191
            ]
            [
                0.546264
                0.446227
                0.220165
            ]
            [
                0.453736
                0.446227
                0.779835
            ]
            [
                0.639208
                0.55202
                0.22963
            ]
            [
                0.060817
                0.457708
                0.787952
            ]
            [
                0.360792
                0.55202
                0.77037
            ]
            [
                0.829731
                0.54621
                0.225723
            ]
            [
                0.546264
                0.553773
                0.779835
            ]
            [
                0.060817
                0.542292
                0.212048
            ]
            [
                0.267033
                0.450171
                0.780809
            ]
            [
                0.170269
                0.45379
                0.225723
            ]
            [
                0.829731
                0.45379
                0.774277
            ]
            [
                0.867709
                0.05413
                0.154565
            ]
            [
                0.867709
                0.94587
                0.845435
            ]
            [
                0.703904
                0.180725
                0.998894
            ]
            [
                0.952835
                0.883071
                0.733374
            ]
            [
                0.221761
                0.050774
                0.165564
            ]
            [
                0.047165
                0.883071
                0.266626
            ]
            [
                0.956805
                0.943932
                0.165923
            ]
            [
                0.75
                0.75
                0.76212
            ]
            [
                0.594539
                0.95485
                0.13552
            ]
            [
                0.048703
                0.739289
                0.236056
            ]
            [
                0.703904
                0.819275
                0.001106
            ]
            [
                0.764009
                0.11303
                0.257414
            ]
            [
                0.196229
                0.813354
                0.993439
            ]
            [
                0
                0.330834
                0
            ]
            [
                0.956805
                0.056068
                0.834077
            ]
            [
                0.858888
                0.884876
                0.27436
            ]
            [
                0.778239
                0.050774
                0.834436
            ]
            [
                0.043195
                0.943932
                0.834077
            ]
            [
                0.221761
                0.949226
                0.834436
            ]
            [
                0.803771
                0.186646
                0.993439
            ]
            [
                0
                0.191648
                0
            ]
            [
                0.296363
                0.817403
                0.493236
            ]
            [
                0.065357
                0.603526
                0.299385
            ]
            [
                0
                0.672247
                0.5
            ]
            [
                0.703637
                0.817403
                0.506764
            ]
            [
                0.097873
                0.192935
                0.505548
            ]
            [
                0.048703
                0.260711
                0.763944
            ]
            [
                0.196323
                0.811501
                0.498091
            ]
            [
                0.09756
                0.809063
                0.997498
            ]
            [
                0
                0.558005
                0
            ]
            [
                0
                0.669166
                0
            ]
            [
                0.897779
                0.322742
                0.502985
            ]
            [
                0.850844
                0.743454
                0.242554
            ]
            [
                0.296363
                0.182597
                0.506764
            ]
            [
                0.934643
                0.603526
                0.700615
            ]
            [
                0.90244
                0.190937
                0.997498
            ]
            [
                0.065357
                0.396474
                0.700615
            ]
            [
                0.102221
                0.677258
                0.502985
            ]
            [
                0
                0.808352
                0
            ]
            [
                0.66724
                0.109332
                0.728998
            ]
            [
                0.102487
                0.67351
                0.998365
            ]
            [
                0.149156
                0.256546
                0.242554
            ]
            [
                0.132291
                0.94587
                0.154565
            ]
            [
                0.043195
                0.056068
                0.165923
            ]
            [
                0.235991
                0.11303
                0.742586
            ]
            [
                0
                0.441995
                0
            ]
            [
                0.097873
                0.807065
                0.494452
            ]
            [
                0.897779
                0.677258
                0.497015
            ]
            [
                0.33276
                0.890668
                0.728998
            ]
            [
                0.90244
                0.809063
                0.002502
            ]
            [
                0.66724
                0.890668
                0.271002
            ]
            [
                0.296096
                0.819275
                0.998894
            ]
            [
                0.951297
                0.739289
                0.763944
            ]
            [
                0.312693
                0.95242
                0.153132
            ]
            [
                0.803677
                0.811501
                0.501909
            ]
            [
                0.764009
                0.88697
                0.742586
            ]
            [
                0
                0.805378
                0.5
            ]
            [
                0.75
                0.25
                0.23788
            ]
            [
                0.897513
                0.32649
                0.998365
            ]
            [
                0.196229
                0.186646
                0.006561
            ]
            [
                0.952835
                0.116929
                0.266626
            ]
            [
                0.594539
                0.04515
                0.86448
            ]
            [
                0.141112
                0.115124
                0.27436
            ]
            [
                0
                0.194622
                0.5
            ]
            [
                0.102221
                0.322742
                0.497015
            ]
            [
                0.296096
                0.180725
                0.001106
            ]
            [
                0.687307
                0.04758
                0.153132
            ]
            [
                0.803771
                0.813354
                0.006561
            ]
            [
                0.09756
                0.190937
                0.002502
            ]
            [
                0.897513
                0.67351
                0.001635
            ]
            [
                0.141112
                0.884876
                0.72564
            ]
            [
                0.102487
                0.32649
                0.001635
            ]
            [
                0.149156
                0.743454
                0.757446
            ]
            [
                0.235991
                0.88697
                0.257414
            ]
            [
                0.33276
                0.109332
                0.271002
            ]
            [
                0.778239
                0.949226
                0.165564
            ]
            [
                0.902127
                0.192935
                0.494452
            ]
            [
                0.902127
                0.807065
                0.505548
            ]
            [
                0.405461
                0.95485
                0.86448
            ]
            [
                0
                0.327753
                0.5
            ]
            [
                0.405461
                0.04515
                0.13552
            ]
            [
                0.858888
                0.115124
                0.72564
            ]
            [
                0.850844
                0.256546
                0.757446
            ]
            [
                0.934643
                0.396474
                0.299385
            ]
            [
                0.803677
                0.188499
                0.498091
            ]
            [
                0.047165
                0.116929
                0.733374
            ]
            [
                0.132291
                0.05413
                0.845435
            ]
            [
                0.196323
                0.188499
                0.501909
            ]
            [
                0.951297
                0.260711
                0.236056
            ]
            [
                0.687307
                0.95242
                0.846868
            ]
            [
                0.312693
                0.04758
                0.846868
            ]
            [
                0.703637
                0.182597
                0.493236
            ]
            [
                0.367709
                0.55413
                0.154565
            ]
            [
                0.367709
                0.44587
                0.845435
            ]
            [
                0.203904
                0.680725
                0.998894
            ]
            [
                0.452835
                0.383071
                0.733374
            ]
            [
                0.721761
                0.550774
                0.165564
            ]
            [
                0.547165
                0.383071
                0.266626
            ]
            [
                0.456805
                0.443932
                0.165923
            ]
            [
                0.25
                0.25
                0.76212
            ]
            [
                0.094539
                0.45485
                0.13552
            ]
            [
                0.548703
                0.239289
                0.236056
            ]
            [
                0.203904
                0.319275
                0.001106
            ]
            [
                0.264009
                0.61303
                0.257414
            ]
            [
                0.696229
                0.313354
                0.993439
            ]
            [
                0.5
                0.830834
                0
            ]
            [
                0.456805
                0.556068
                0.834077
            ]
            [
                0.358888
                0.384876
                0.27436
            ]
            [
                0.278239
                0.550774
                0.834436
            ]
            [
                0.543195
                0.443932
                0.834077
            ]
            [
                0.721761
                0.449226
                0.834436
            ]
            [
                0.303771
                0.686646
                0.993439
            ]
            [
                0.5
                0.691648
                0
            ]
            [
                0.796363
                0.317403
                0.493236
            ]
            [
                0.565357
                0.103526
                0.299385
            ]
            [
                0.5
                0.172247
                0.5
            ]
            [
                0.203637
                0.317403
                0.506764
            ]
            [
                0.597873
                0.692935
                0.505548
            ]
            [
                0.548703
                0.760711
                0.763944
            ]
            [
                0.696323
                0.311501
                0.498091
            ]
            [
                0.59756
                0.309063
                0.997498
            ]
            [
                0.5
                0.058005
                0
            ]
            [
                0.5
                0.169166
                0
            ]
            [
                0.397779
                0.822742
                0.502985
            ]
            [
                0.350844
                0.243454
                0.242554
            ]
            [
                0.796363
                0.682597
                0.506764
            ]
            [
                0.434643
                0.103526
                0.700615
            ]
            [
                0.40244
                0.690937
                0.997498
            ]
            [
                0.565357
                0.896474
                0.700615
            ]
            [
                0.602221
                0.177258
                0.502985
            ]
            [
                0.5
                0.308352
                0
            ]
            [
                0.16724
                0.609332
                0.728998
            ]
            [
                0.602487
                0.17351
                0.998365
            ]
            [
                0.649156
                0.756546
                0.242554
            ]
            [
                0.632291
                0.44587
                0.154565
            ]
            [
                0.543195
                0.556068
                0.165923
            ]
            [
                0.735991
                0.61303
                0.742586
            ]
            [
                0.5
                0.941995
                0
            ]
            [
                0.597873
                0.307065
                0.494452
            ]
            [
                0.397779
                0.177258
                0.497015
            ]
            [
                0.83276
                0.390668
                0.728998
            ]
            [
                0.40244
                0.309063
                0.002502
            ]
            [
                0.16724
                0.390668
                0.271002
            ]
            [
                0.796096
                0.319275
                0.998894
            ]
            [
                0.451297
                0.239289
                0.763944
            ]
            [
                0.812693
                0.45242
                0.153132
            ]
            [
                0.303677
                0.311501
                0.501909
            ]
            [
                0.264009
                0.38697
                0.742586
            ]
            [
                0.5
                0.305378
                0.5
            ]
            [
                0.25
                0.75
                0.23788
            ]
            [
                0.397513
                0.82649
                0.998365
            ]
            [
                0.696229
                0.686646
                0.006561
            ]
            [
                0.452835
                0.616929
                0.266626
            ]
            [
                0.094539
                0.54515
                0.86448
            ]
            [
                0.641112
                0.615124
                0.27436
            ]
            [
                0.5
                0.694622
                0.5
            ]
            [
                0.602221
                0.822742
                0.497015
            ]
            [
                0.796096
                0.680725
                0.001106
            ]
            [
                0.187307
                0.54758
                0.153132
            ]
            [
                0.303771
                0.313354
                0.006561
            ]
            [
                0.59756
                0.690937
                0.002502
            ]
            [
                0.397513
                0.17351
                0.001635
            ]
            [
                0.641112
                0.384876
                0.72564
            ]
            [
                0.602487
                0.82649
                0.001635
            ]
            [
                0.649156
                0.243454
                0.757446
            ]
            [
                0.735991
                0.38697
                0.257414
            ]
            [
                0.83276
                0.609332
                0.271002
            ]
            [
                0.278239
                0.449226
                0.165564
            ]
            [
                0.402127
                0.692935
                0.494452
            ]
            [
                0.402127
                0.307065
                0.505548
            ]
            [
                0.905461
                0.45485
                0.86448
            ]
            [
                0.5
                0.827753
                0.5
            ]
            [
                0.905461
                0.54515
                0.13552
            ]
            [
                0.358888
                0.615124
                0.72564
            ]
            [
                0.350844
                0.756546
                0.757446
            ]
            [
                0.434643
                0.896474
                0.299385
            ]
            [
                0.303677
                0.688499
                0.498091
            ]
            [
                0.547165
                0.616929
                0.733374
            ]
            [
                0.632291
                0.55413
                0.845435
            ]
            [
                0.696323
                0.688499
                0.501909
            ]
            [
                0.451297
                0.760711
                0.236056
            ]
            [
                0.187307
                0.45242
                0.846868
            ]
            [
                0.812693
                0.54758
                0.846868
            ]
            [
                0.203637
                0.682597
                0.493236
            ]
        ]
    }
    "species" {
        "source-value" [
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Sr"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Fe"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "Bi"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "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" 27.4915171752
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 32.8180601701
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 5.54635931
        "source-unit" "angstrom"
    }
}