{
    "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" [
            [
                0.791894
                0.620627
                0.129015
            ]
            [
                0.791894
                0.379373
                0.629015
            ]
            [
                0.208106
                0.379373
                0.870985
            ]
            [
                0.155935
                0.429018
                0.40155
            ]
            [
                0.844065
                0.429018
                0.09845
            ]
            [
                0.844065
                0.570982
                0.59845
            ]
            [
                0.155935
                0.570982
                0.90155
            ]
            [
                0.167891
                0.683895
                0.301587
            ]
            [
                0.832109
                0.683895
                0.198413
            ]
            [
                0.832109
                0.316105
                0.698413
            ]
            [
                0.167891
                0.316105
                0.801587
            ]
            [
                0.171282
                0.445783
                0.325664
            ]
            [
                0.828718
                0.445783
                0.174336
            ]
            [
                0.828718
                0.554217
                0.674336
            ]
            [
                0.171282
                0.554217
                0.825664
            ]
            [
                0.097094
                0.364093
                0.343268
            ]
            [
                0.902906
                0.364093
                0.156732
            ]
            [
                0.902906
                0.635907
                0.656732
            ]
            [
                0.097094
                0.635907
                0.843268
            ]
            [
                0.099949
                0.542178
                0.291318
            ]
            [
                0.900051
                0.542178
                0.208682
            ]
            [
                0.900051
                0.457822
                0.708682
            ]
            [
                0.099949
                0.457822
                0.791318
            ]
            [
                0.910118
                0.29088
                0.40995
            ]
            [
                0.089882
                0.29088
                0.09005
            ]
            [
                0.089882
                0.70912
                0.59005
            ]
            [
                0.910118
                0.70912
                0.90995
            ]
            [
                0.910807
                0.151981
                0.345256
            ]
            [
                0.089193
                0.151981
                0.154744
            ]
            [
                0.089193
                0.848019
                0.654744
            ]
            [
                0.910807
                0.848019
                0.845256
            ]
            [
                0.946536
                0.068051
                0.41374
            ]
            [
                0.053464
                0.068051
                0.08626
            ]
            [
                0.053464
                0.931949
                0.58626
            ]
            [
                0.946536
                0.931949
                0.91374
            ]
            [
                0.899022
                0.142339
                0.470855
            ]
            [
                0.100978
                0.142339
                0.029145
            ]
            [
                0.100978
                0.857661
                0.529145
            ]
            [
                0.899022
                0.857661
                0.970855
            ]
            [
                0.834234
                0.271409
                0.437478
            ]
            [
                0.165766
                0.271409
                0.062522
            ]
            [
                0.165766
                0.728591
                0.562522
            ]
            [
                0.834234
                0.728591
                0.937478
            ]
            [
                0.841709
                0.276897
                0.360027
            ]
            [
                0.158291
                0.276897
                0.139973
            ]
            [
                0.158291
                0.723103
                0.639973
            ]
            [
                0.841709
                0.723103
                0.860027
            ]
            [
                0.900761
                0.917874
                0.366317
            ]
            [
                0.099239
                0.917874
                0.133683
            ]
            [
                0.099239
                0.082126
                0.633683
            ]
            [
                0.900761
                0.082126
                0.866317
            ]
            [
                0.893008
                0.911735
                0.443801
            ]
            [
                0.106992
                0.911735
                0.056199
            ]
            [
                0.106992
                0.088265
                0.556199
            ]
            [
                0.893008
                0.088265
                0.943801
            ]
            [
                0.82394
                0.036966
                0.458282
            ]
            [
                0.17606
                0.036966
                0.041718
            ]
            [
                0.17606
                0.963034
                0.541718
            ]
            [
                0.82394
                0.963034
                0.958282
            ]
            [
                0.786746
                0.121853
                0.390006
            ]
            [
                0.213254
                0.121853
                0.109994
            ]
            [
                0.213254
                0.878147
                0.609994
            ]
            [
                0.786746
                0.878147
                0.890006
            ]
            [
                0.167247
                0.167046
                0.860851
            ]
            [
                0.832753
                0.167046
                0.639149
            ]
            [
                0.832753
                0.832954
                0.139149
            ]
            [
                0.167247
                0.832954
                0.360851
            ]
            [
                0.094068
                0.231627
                0.824147
            ]
            [
                0.905932
                0.231627
                0.675853
            ]
            [
                0.905932
                0.768373
                0.175853
            ]
            [
                0.208106
                0.620627
                0.370985
            ]
            [
                0.094068
                0.768373
                0.324147
            ]
            [
                0.291894
                0.120627
                0.129015
            ]
            [
                0.291894
                0.879373
                0.629015
            ]
            [
                0.708106
                0.879373
                0.870985
            ]
            [
                0.655935
                0.929018
                0.40155
            ]
            [
                0.344065
                0.929018
                0.09845
            ]
            [
                0.344065
                0.070982
                0.59845
            ]
            [
                0.655935
                0.070982
                0.90155
            ]
            [
                0.667891
                0.183895
                0.301587
            ]
            [
                0.332109
                0.183895
                0.198413
            ]
            [
                0.332109
                0.816105
                0.698413
            ]
            [
                0.667891
                0.816105
                0.801587
            ]
            [
                0.671282
                0.945783
                0.325664
            ]
            [
                0.328718
                0.945783
                0.174336
            ]
            [
                0.328718
                0.054217
                0.674336
            ]
            [
                0.671282
                0.054217
                0.825664
            ]
            [
                0.597094
                0.864093
                0.343268
            ]
            [
                0.402906
                0.864093
                0.156732
            ]
            [
                0.402906
                0.135907
                0.656732
            ]
            [
                0.597094
                0.135907
                0.843268
            ]
            [
                0.599949
                0.042178
                0.291318
            ]
            [
                0.400051
                0.042178
                0.208682
            ]
            [
                0.400051
                0.957822
                0.708682
            ]
            [
                0.599949
                0.957822
                0.791318
            ]
            [
                0.410118
                0.79088
                0.40995
            ]
            [
                0.589882
                0.79088
                0.09005
            ]
            [
                0.589882
                0.20912
                0.59005
            ]
            [
                0.410118
                0.20912
                0.90995
            ]
            [
                0.410807
                0.651981
                0.345256
            ]
            [
                0.589193
                0.651981
                0.154744
            ]
            [
                0.589193
                0.348019
                0.654744
            ]
            [
                0.410807
                0.348019
                0.845256
            ]
            [
                0.446536
                0.568051
                0.41374
            ]
            [
                0.553464
                0.568051
                0.08626
            ]
            [
                0.553464
                0.431949
                0.58626
            ]
            [
                0.446536
                0.431949
                0.91374
            ]
            [
                0.399022
                0.642339
                0.470855
            ]
            [
                0.600978
                0.642339
                0.029145
            ]
            [
                0.600978
                0.357661
                0.529145
            ]
            [
                0.399022
                0.357661
                0.970855
            ]
            [
                0.334234
                0.771409
                0.437478
            ]
            [
                0.665766
                0.771409
                0.062522
            ]
            [
                0.665766
                0.228591
                0.562522
            ]
            [
                0.334234
                0.228591
                0.937478
            ]
            [
                0.341709
                0.776897
                0.360027
            ]
            [
                0.658291
                0.776897
                0.139973
            ]
            [
                0.658291
                0.223103
                0.639973
            ]
            [
                0.341709
                0.223103
                0.860027
            ]
            [
                0.400761
                0.417874
                0.366317
            ]
            [
                0.599239
                0.417874
                0.133683
            ]
            [
                0.599239
                0.582126
                0.633683
            ]
            [
                0.400761
                0.582126
                0.866317
            ]
            [
                0.393008
                0.411735
                0.443801
            ]
            [
                0.606992
                0.411735
                0.056199
            ]
            [
                0.606992
                0.588265
                0.556199
            ]
            [
                0.393008
                0.588265
                0.943801
            ]
            [
                0.32394
                0.536966
                0.458282
            ]
            [
                0.67606
                0.536966
                0.041718
            ]
            [
                0.67606
                0.463034
                0.541718
            ]
            [
                0.32394
                0.463034
                0.958282
            ]
            [
                0.286746
                0.621853
                0.390006
            ]
            [
                0.713254
                0.621853
                0.109994
            ]
            [
                0.713254
                0.378147
                0.609994
            ]
            [
                0.286746
                0.378147
                0.890006
            ]
            [
                0.667247
                0.667046
                0.860851
            ]
            [
                0.332753
                0.667046
                0.639149
            ]
            [
                0.332753
                0.332954
                0.139149
            ]
            [
                0.667247
                0.332954
                0.360851
            ]
            [
                0.594068
                0.731627
                0.824147
            ]
            [
                0.405932
                0.731627
                0.675853
            ]
            [
                0.405932
                0.268373
                0.175853
            ]
            [
                0.708106
                0.120627
                0.370985
            ]
            [
                0.594068
                0.268373
                0.324147
            ]
            [
                0.20609
                0.656932
                0.802595
            ]
            [
                0.939442
                0.121994
                0.701989
            ]
            [
                0.060558
                0.121994
                0.798011
            ]
            [
                0.189298
                0.984165
                0.365099
            ]
            [
                0.810702
                0.984165
                0.134901
            ]
            [
                0.810702
                0.015835
                0.634901
            ]
            [
                0.189298
                0.015835
                0.865099
            ]
            [
                0.182366
                0.328271
                0.437171
            ]
            [
                0.817634
                0.328271
                0.062829
            ]
            [
                0.817634
                0.671729
                0.562829
            ]
            [
                0.182366
                0.671729
                0.937171
            ]
            [
                0.058059
                0.457088
                0.439642
            ]
            [
                0.941941
                0.457088
                0.060358
            ]
            [
                0.941941
                0.542912
                0.560358
            ]
            [
                0.058059
                0.542912
                0.939642
            ]
            [
                0.006958
                0.573188
                0.343759
            ]
            [
                0.993042
                0.573188
                0.156241
            ]
            [
                0.993042
                0.426812
                0.656241
            ]
            [
                0.006958
                0.426812
                0.843759
            ]
            [
                0.193236
                0.730767
                0.258733
            ]
            [
                0.806764
                0.730767
                0.241267
            ]
            [
                0.806764
                0.269233
                0.741267
            ]
            [
                0.193236
                0.269233
                0.758733
            ]
            [
                0.20609
                0.343068
                0.302595
            ]
            [
                0.79391
                0.343068
                0.197405
            ]
            [
                0.79391
                0.656932
                0.697405
            ]
            [
                0.060558
                0.878006
                0.298011
            ]
            [
                0.071112
                0.221912
                0.331381
            ]
            [
                0.928888
                0.221912
                0.168619
            ]
            [
                0.928888
                0.778088
                0.668619
            ]
            [
                0.071112
                0.778088
                0.831381
            ]
            [
                0.073915
                0.524533
                0.243166
            ]
            [
                0.926085
                0.524533
                0.256834
            ]
            [
                0.926085
                0.475467
                0.756834
            ]
            [
                0.073915
                0.475467
                0.743166
            ]
            [
                0.939704
                0.431219
                0.414953
            ]
            [
                0.060296
                0.431219
                0.085047
            ]
            [
                0.060296
                0.568781
                0.585047
            ]
            [
                0.939704
                0.568781
                0.914953
            ]
            [
                0.935831
                0.180949
                0.301019
            ]
            [
                0.064169
                0.180949
                0.198981
            ]
            [
                0.064169
                0.819051
                0.698981
            ]
            [
                0.935831
                0.819051
                0.801019
            ]
            [
                0.001945
                0.045869
                0.421151
            ]
            [
                0.998055
                0.045869
                0.078849
            ]
            [
                0.998055
                0.954131
                0.578849
            ]
            [
                0.001945
                0.954131
                0.921151
            ]
            [
                0.920983
                0.17373
                0.520014
            ]
            [
                0.079017
                0.17373
                0.979986
            ]
            [
                0.079017
                0.82627
                0.479986
            ]
            [
                0.920983
                0.82627
                0.020014
            ]
            [
                0.810033
                0.395299
                0.462152
            ]
            [
                0.189967
                0.395299
                0.037848
            ]
            [
                0.189967
                0.604701
                0.537848
            ]
            [
                0.810033
                0.604701
                0.962152
            ]
            [
                0.821451
                0.391258
                0.325778
            ]
            [
                0.178549
                0.391258
                0.174222
            ]
            [
                0.178549
                0.608742
                0.674222
            ]
            [
                0.821451
                0.608742
                0.825778
            ]
            [
                0.914375
                0.78859
                0.337589
            ]
            [
                0.085625
                0.78859
                0.162411
            ]
            [
                0.085625
                0.21141
                0.662411
            ]
            [
                0.914375
                0.21141
                0.837589
            ]
            [
                0.905299
                0.770889
                0.469364
            ]
            [
                0.108922
                0.847561
                0.376622
            ]
            [
                0.891078
                0.847561
                0.123378
            ]
            [
                0.891078
                0.152439
                0.623378
            ]
            [
                0.108922
                0.152439
                0.876622
            ]
            [
                0.183034
                0.73401
                0.409488
            ]
            [
                0.816966
                0.73401
                0.090512
            ]
            [
                0.816966
                0.26599
                0.590512
            ]
            [
                0.183034
                0.26599
                0.909488
            ]
            [
                0.094701
                0.770889
                0.030636
            ]
            [
                0.094701
                0.229111
                0.530636
            ]
            [
                0.905299
                0.229111
                0.969364
            ]
            [
                0.790953
                0.97995
                0.494182
            ]
            [
                0.209047
                0.97995
                0.005818
            ]
            [
                0.209047
                0.02005
                0.505818
            ]
            [
                0.790953
                0.02005
                0.994182
            ]
            [
                0.81676
                0.008273
                0.296378
            ]
            [
                0.80044
                0.207227
                0.885037
            ]
            [
                0.19956
                0.207227
                0.614963
            ]
            [
                0.19956
                0.792773
                0.114963
            ]
            [
                0.80044
                0.792773
                0.385037
            ]
            [
                0.81676
                0.991727
                0.796378
            ]
            [
                0.18324
                0.991727
                0.703622
            ]
            [
                0.18324
                0.008273
                0.203622
            ]
            [
                0.939442
                0.878006
                0.201989
            ]
            [
                0.70609
                0.156932
                0.802595
            ]
            [
                0.439442
                0.621994
                0.701989
            ]
            [
                0.560558
                0.621994
                0.798011
            ]
            [
                0.689298
                0.484165
                0.365099
            ]
            [
                0.310702
                0.484165
                0.134901
            ]
            [
                0.310702
                0.515835
                0.634901
            ]
            [
                0.689298
                0.515835
                0.865099
            ]
            [
                0.682366
                0.828271
                0.437171
            ]
            [
                0.317634
                0.828271
                0.062829
            ]
            [
                0.317634
                0.171729
                0.562829
            ]
            [
                0.682366
                0.171729
                0.937171
            ]
            [
                0.558059
                0.957088
                0.439642
            ]
            [
                0.441941
                0.957088
                0.060358
            ]
            [
                0.441941
                0.042912
                0.560358
            ]
            [
                0.558059
                0.042912
                0.939642
            ]
            [
                0.506958
                0.073188
                0.343759
            ]
            [
                0.493042
                0.073188
                0.156241
            ]
            [
                0.493042
                0.926812
                0.656241
            ]
            [
                0.506958
                0.926812
                0.843759
            ]
            [
                0.693236
                0.230767
                0.258733
            ]
            [
                0.306764
                0.230767
                0.241267
            ]
            [
                0.306764
                0.769233
                0.741267
            ]
            [
                0.693236
                0.769233
                0.758733
            ]
            [
                0.70609
                0.843068
                0.302595
            ]
            [
                0.29391
                0.843068
                0.197405
            ]
            [
                0.29391
                0.156932
                0.697405
            ]
            [
                0.560558
                0.378006
                0.298011
            ]
            [
                0.571112
                0.721912
                0.331381
            ]
            [
                0.428888
                0.721912
                0.168619
            ]
            [
                0.428888
                0.278088
                0.668619
            ]
            [
                0.571112
                0.278088
                0.831381
            ]
            [
                0.573915
                0.024533
                0.243166
            ]
            [
                0.426085
                0.024533
                0.256834
            ]
            [
                0.426085
                0.975467
                0.756834
            ]
            [
                0.573915
                0.975467
                0.743166
            ]
            [
                0.439704
                0.931219
                0.414953
            ]
            [
                0.560296
                0.931219
                0.085047
            ]
            [
                0.560296
                0.068781
                0.585047
            ]
            [
                0.439704
                0.068781
                0.914953
            ]
            [
                0.435831
                0.680949
                0.301019
            ]
            [
                0.564169
                0.680949
                0.198981
            ]
            [
                0.564169
                0.319051
                0.698981
            ]
            [
                0.435831
                0.319051
                0.801019
            ]
            [
                0.501945
                0.545869
                0.421151
            ]
            [
                0.498055
                0.545869
                0.078849
            ]
            [
                0.498055
                0.454131
                0.578849
            ]
            [
                0.501945
                0.454131
                0.921151
            ]
            [
                0.420983
                0.67373
                0.520014
            ]
            [
                0.579017
                0.67373
                0.979986
            ]
            [
                0.579017
                0.32627
                0.479986
            ]
            [
                0.420983
                0.32627
                0.020014
            ]
            [
                0.310033
                0.895299
                0.462152
            ]
            [
                0.689967
                0.895299
                0.037848
            ]
            [
                0.689967
                0.104701
                0.537848
            ]
            [
                0.310033
                0.104701
                0.962152
            ]
            [
                0.321451
                0.891258
                0.325778
            ]
            [
                0.678549
                0.891258
                0.174222
            ]
            [
                0.678549
                0.108742
                0.674222
            ]
            [
                0.321451
                0.108742
                0.825778
            ]
            [
                0.414375
                0.28859
                0.337589
            ]
            [
                0.585625
                0.28859
                0.162411
            ]
            [
                0.585625
                0.71141
                0.662411
            ]
            [
                0.414375
                0.71141
                0.837589
            ]
            [
                0.405299
                0.270889
                0.469364
            ]
            [
                0.608922
                0.347561
                0.376622
            ]
            [
                0.391078
                0.347561
                0.123378
            ]
            [
                0.391078
                0.652439
                0.623378
            ]
            [
                0.608922
                0.652439
                0.876622
            ]
            [
                0.683034
                0.23401
                0.409488
            ]
            [
                0.316966
                0.23401
                0.090512
            ]
            [
                0.316966
                0.76599
                0.590512
            ]
            [
                0.683034
                0.76599
                0.909488
            ]
            [
                0.594701
                0.270889
                0.030636
            ]
            [
                0.594701
                0.729111
                0.530636
            ]
            [
                0.405299
                0.729111
                0.969364
            ]
            [
                0.290953
                0.47995
                0.494182
            ]
            [
                0.709047
                0.47995
                0.005818
            ]
            [
                0.709047
                0.52005
                0.505818
            ]
            [
                0.290953
                0.52005
                0.994182
            ]
            [
                0.31676
                0.508273
                0.296378
            ]
            [
                0.30044
                0.707227
                0.885037
            ]
            [
                0.69956
                0.707227
                0.614963
            ]
            [
                0.69956
                0.292773
                0.114963
            ]
            [
                0.30044
                0.292773
                0.385037
            ]
            [
                0.31676
                0.491727
                0.796378
            ]
            [
                0.68324
                0.491727
                0.703622
            ]
            [
                0.68324
                0.508273
                0.203622
            ]
            [
                0.439442
                0.378006
                0.201989
            ]
            [
                0.088321
                0.492707
                0.404678
            ]
            [
                0.911679
                0.492707
                0.095322
            ]
            [
                0.911679
                0.507293
                0.595322
            ]
            [
                0.088321
                0.507293
                0.904678
            ]
            [
                0.058113
                0.569659
                0.349741
            ]
            [
                0.941887
                0.569659
                0.150259
            ]
            [
                0.941887
                0.430341
                0.650259
            ]
            [
                0.058113
                0.430341
                0.849741
            ]
            [
                0.838582
                0.052164
                0.339175
            ]
            [
                0.161418
                0.052164
                0.160825
            ]
            [
                0.161418
                0.947836
                0.660825
            ]
            [
                0.838582
                0.947836
                0.839175
            ]
            [
                0.828547
                0.916365
                0.394813
            ]
            [
                0.171453
                0.916365
                0.105187
            ]
            [
                0.171453
                0.083635
                0.605187
            ]
            [
                0.828547
                0.083635
                0.894813
            ]
            [
                0.588321
                0.992707
                0.404678
            ]
            [
                0.411679
                0.992707
                0.095322
            ]
            [
                0.411679
                0.007293
                0.595322
            ]
            [
                0.588321
                0.007293
                0.904678
            ]
            [
                0.558113
                0.069659
                0.349741
            ]
            [
                0.441887
                0.069659
                0.150259
            ]
            [
                0.441887
                0.930341
                0.650259
            ]
            [
                0.558113
                0.930341
                0.849741
            ]
            [
                0.338582
                0.552164
                0.339175
            ]
            [
                0.661418
                0.552164
                0.160825
            ]
            [
                0.661418
                0.447836
                0.660825
            ]
            [
                0.338582
                0.447836
                0.839175
            ]
            [
                0.328547
                0.416365
                0.394813
            ]
            [
                0.671453
                0.416365
                0.105187
            ]
            [
                0.671453
                0.583635
                0.605187
            ]
            [
                0.328547
                0.583635
                0.894813
            ]
        ]
    }
    "species" {
        "source-value" [
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "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"
            "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"
            "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"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 21.3348892848
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 7.22261153
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 22.6323933602
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 94.4882021426
        "source-unit" "degree"
    }
}