{
    "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" [
            [
                0.841706
                0.047375
                0.564675
            ]
            [
                0.067883
                0.888527
                0.589184
            ]
            [
                0.187309
                0.348428
                0.433388
            ]
            [
                0.067883
                0.111473
                0.089184
            ]
            [
                0.158294
                0.952625
                0.435325
            ]
            [
                0.910803
                0.580763
                0.391179
            ]
            [
                0.910803
                0.419237
                0.891179
            ]
            [
                0.812691
                0.348428
                0.066612
            ]
            [
                0.089197
                0.580763
                0.108821
            ]
            [
                0.187309
                0.651572
                0.933388
            ]
            [
                0.932117
                0.888527
                0.910816
            ]
            [
                0.812691
                0.651572
                0.566612
            ]
            [
                0.158294
                0.047375
                0.935325
            ]
            [
                0
                0.102071
                0.25
            ]
            [
                0.932117
                0.111473
                0.410816
            ]
            [
                0
                0.897929
                0.75
            ]
            [
                0.089197
                0.419237
                0.608821
            ]
            [
                0.841706
                0.952625
                0.064675
            ]
            [
                0.341706
                0.547375
                0.564675
            ]
            [
                0.567883
                0.388527
                0.589184
            ]
            [
                0.687309
                0.848428
                0.433388
            ]
            [
                0.567883
                0.611473
                0.089184
            ]
            [
                0.658294
                0.452625
                0.435325
            ]
            [
                0.410803
                0.080763
                0.391179
            ]
            [
                0.410803
                0.919237
                0.891179
            ]
            [
                0.312691
                0.848428
                0.066612
            ]
            [
                0.589197
                0.080763
                0.108821
            ]
            [
                0.687309
                0.151572
                0.933388
            ]
            [
                0.432117
                0.388527
                0.910816
            ]
            [
                0.312691
                0.151572
                0.566612
            ]
            [
                0.658294
                0.547375
                0.935325
            ]
            [
                0.5
                0.602071
                0.25
            ]
            [
                0.432117
                0.611473
                0.410816
            ]
            [
                0.5
                0.397929
                0.75
            ]
            [
                0.589197
                0.919237
                0.608821
            ]
            [
                0.341706
                0.452625
                0.064675
            ]
            [
                0.236888
                0.132472
                0.129981
            ]
            [
                0.892672
                0.14928
                0.764836
            ]
            [
                0.892672
                0.85072
                0.264836
            ]
            [
                0.763112
                0.867528
                0.870019
            ]
            [
                0.107328
                0.85072
                0.235164
            ]
            [
                0.766
                0.383116
                0.275097
            ]
            [
                0.763112
                0.132472
                0.370019
            ]
            [
                0.91928
                0.590443
                0.050982
            ]
            [
                0.91928
                0.409557
                0.550982
            ]
            [
                0.766
                0.616884
                0.775097
            ]
            [
                0.236888
                0.867528
                0.629981
            ]
            [
                0
                0.42638
                0.75
            ]
            [
                0.234
                0.616884
                0.724903
            ]
            [
                0.08072
                0.409557
                0.949018
            ]
            [
                0.08072
                0.590443
                0.449018
            ]
            [
                0.107328
                0.14928
                0.735164
            ]
            [
                0
                0.57362
                0.25
            ]
            [
                0.234
                0.383116
                0.224903
            ]
            [
                0.736888
                0.632472
                0.129981
            ]
            [
                0.392672
                0.64928
                0.764836
            ]
            [
                0.392672
                0.35072
                0.264836
            ]
            [
                0.263112
                0.367528
                0.870019
            ]
            [
                0.607328
                0.35072
                0.235164
            ]
            [
                0.266
                0.883116
                0.275097
            ]
            [
                0.263112
                0.632472
                0.370019
            ]
            [
                0.41928
                0.090443
                0.050982
            ]
            [
                0.41928
                0.909557
                0.550982
            ]
            [
                0.266
                0.116884
                0.775097
            ]
            [
                0.736888
                0.367528
                0.629981
            ]
            [
                0.5
                0.92638
                0.75
            ]
            [
                0.734
                0.116884
                0.724903
            ]
            [
                0.58072
                0.909557
                0.949018
            ]
            [
                0.58072
                0.090443
                0.449018
            ]
            [
                0.607328
                0.64928
                0.735164
            ]
            [
                0.5
                0.07362
                0.25
            ]
            [
                0.734
                0.883116
                0.224903
            ]
            [
                0.163247
                0.885094
                0.775908
            ]
            [
                0.836753
                0.885094
                0.724092
            ]
            [
                0.138092
                0.579813
                0.286471
            ]
            [
                0.184516
                0.11964
                0.60042
            ]
            [
                0.836753
                0.114906
                0.224092
            ]
            [
                0.861908
                0.420187
                0.713529
            ]
            [
                0.001545
                0.646254
                0.904222
            ]
            [
                0.026672
                0.138057
                0.879222
            ]
            [
                0.973328
                0.861943
                0.120778
            ]
            [
                0.001545
                0.353746
                0.404222
            ]
            [
                0.861908
                0.579813
                0.213529
            ]
            [
                0.998455
                0.646254
                0.595778
            ]
            [
                0.194362
                0.621662
                0.524797
            ]
            [
                0.163247
                0.114906
                0.275908
            ]
            [
                0.973328
                0.138057
                0.620778
            ]
            [
                0.805638
                0.621662
                0.975203
            ]
            [
                0.998455
                0.353746
                0.095778
            ]
            [
                0.194362
                0.378338
                0.024797
            ]
            [
                0.138092
                0.420187
                0.786471
            ]
            [
                0.184516
                0.88036
                0.10042
            ]
            [
                0.026672
                0.861943
                0.379222
            ]
            [
                0.815484
                0.88036
                0.39958
            ]
            [
                0.815484
                0.11964
                0.89958
            ]
            [
                0.805638
                0.378338
                0.475203
            ]
            [
                0.663247
                0.385094
                0.775908
            ]
            [
                0.336753
                0.385094
                0.724092
            ]
            [
                0.638092
                0.079813
                0.286471
            ]
            [
                0.684516
                0.61964
                0.60042
            ]
            [
                0.336753
                0.614906
                0.224092
            ]
            [
                0.361908
                0.920187
                0.713529
            ]
            [
                0.501545
                0.146254
                0.904222
            ]
            [
                0.526672
                0.638057
                0.879222
            ]
            [
                0.473328
                0.361943
                0.120778
            ]
            [
                0.501545
                0.853746
                0.404222
            ]
            [
                0.361908
                0.079813
                0.213529
            ]
            [
                0.498455
                0.146254
                0.595778
            ]
            [
                0.694362
                0.121662
                0.524797
            ]
            [
                0.663247
                0.614906
                0.275908
            ]
            [
                0.473328
                0.638057
                0.620778
            ]
            [
                0.305638
                0.121662
                0.975203
            ]
            [
                0.498455
                0.853746
                0.095778
            ]
            [
                0.694362
                0.878338
                0.024797
            ]
            [
                0.638092
                0.920187
                0.786471
            ]
            [
                0.684516
                0.38036
                0.10042
            ]
            [
                0.526672
                0.361943
                0.379222
            ]
            [
                0.315484
                0.38036
                0.39958
            ]
            [
                0.315484
                0.61964
                0.89958
            ]
            [
                0.305638
                0.878338
                0.475203
            ]
            [
                0.012295
                0.216562
                0.370964
            ]
            [
                0.927467
                0.903741
                0.172363
            ]
            [
                0.033503
                0.076976
                0.658314
            ]
            [
                0.856699
                0.793778
                0.360659
            ]
            [
                0.10092
                0.877744
                0.726997
            ]
            [
                0.842024
                0.978344
                0.920379
            ]
            [
                0.080857
                0.347543
                0.742868
            ]
            [
                0.244365
                0.912818
                0.155898
            ]
            [
                0.033503
                0.923024
                0.158314
            ]
            [
                0.122687
                0.497383
                0.857213
            ]
            [
                0.856699
                0.206222
                0.860659
            ]
            [
                0.987705
                0.783438
                0.629036
            ]
            [
                0.182273
                0.03572
                0.782374
            ]
            [
                0.800424
                0.817708
                0.474285
            ]
            [
                0.183005
                0.310504
                0.813629
            ]
            [
                0.152137
                0.725826
                0.480122
            ]
            [
                0.847863
                0.274174
                0.519878
            ]
            [
                0.842024
                0.021656
                0.420379
            ]
            [
                0.244129
                0.417327
                0.979471
            ]
            [
                0.841131
                0.509884
                0.776236
            ]
            [
                0.950298
                0.924528
                0.040395
            ]
            [
                0.979574
                0.709484
                0.117319
            ]
            [
                0.049702
                0.075472
                0.959605
            ]
            [
                0.84288
                0.494682
                0.96999
            ]
            [
                0.792482
                0.189735
                0.266064
            ]
            [
                0.011055
                0.540269
                0.66087
            ]
            [
                0.966497
                0.923024
                0.341686
            ]
            [
                0.944326
                0.652947
                0.941561
            ]
            [
                0.10092
                0.122256
                0.226997
            ]
            [
                0.199576
                0.182292
                0.525715
            ]
            [
                0.080857
                0.652457
                0.242868
            ]
            [
                0.16443
                0.161664
                0.360844
            ]
            [
                0.755871
                0.582673
                0.020529
            ]
            [
                0.966497
                0.076976
                0.841686
            ]
            [
                0.755871
                0.417327
                0.520529
            ]
            [
                0.816995
                0.310504
                0.686371
            ]
            [
                0.919143
                0.652457
                0.257132
            ]
            [
                0.15712
                0.494682
                0.53001
            ]
            [
                0.020426
                0.290516
                0.882681
            ]
            [
                0.199576
                0.817708
                0.025715
            ]
            [
                0.877313
                0.497383
                0.642787
            ]
            [
                0.183005
                0.689496
                0.313629
            ]
            [
                0.817727
                0.96428
                0.217626
            ]
            [
                0.988945
                0.459731
                0.33913
            ]
            [
                0.055674
                0.652947
                0.558439
            ]
            [
                0.143301
                0.793778
                0.139341
            ]
            [
                0.055674
                0.347053
                0.058439
            ]
            [
                0.049702
                0.924528
                0.459605
            ]
            [
                0.152137
                0.274174
                0.980122
            ]
            [
                0.877313
                0.502617
                0.142787
            ]
            [
                0.15712
                0.505318
                0.03001
            ]
            [
                0.143301
                0.206222
                0.639341
            ]
            [
                0.072533
                0.903741
                0.327637
            ]
            [
                0.89908
                0.122256
                0.273003
            ]
            [
                0.122687
                0.502617
                0.357213
            ]
            [
                0.207518
                0.810265
                0.733936
            ]
            [
                0.83557
                0.838336
                0.639156
            ]
            [
                0.072533
                0.096259
                0.827637
            ]
            [
                0.158869
                0.490116
                0.223764
            ]
            [
                0.792482
                0.810265
                0.766064
            ]
            [
                0.841131
                0.490116
                0.276236
            ]
            [
                0.89908
                0.877744
                0.773003
            ]
            [
                0.207518
                0.189735
                0.233936
            ]
            [
                0.052949
                0.400718
                0.46816
            ]
            [
                0.987705
                0.216562
                0.129036
            ]
            [
                0.052949
                0.599282
                0.96816
            ]
            [
                0.777741
                0.670166
                0.892625
            ]
            [
                0.927467
                0.096259
                0.672363
            ]
            [
                0.919143
                0.347543
                0.757132
            ]
            [
                0.755635
                0.912818
                0.344102
            ]
            [
                0.944326
                0.347053
                0.441561
            ]
            [
                0.83557
                0.161664
                0.139156
            ]
            [
                0.816995
                0.689496
                0.186371
            ]
            [
                0.800424
                0.182292
                0.974285
            ]
            [
                0.988945
                0.540269
                0.83913
            ]
            [
                0.157976
                0.978344
                0.579621
            ]
            [
                0.222259
                0.329834
                0.107375
            ]
            [
                0.182273
                0.96428
                0.282374
            ]
            [
                0.817727
                0.03572
                0.717626
            ]
            [
                0.011055
                0.459731
                0.16087
            ]
            [
                0.244365
                0.087182
                0.655898
            ]
            [
                0.755635
                0.087182
                0.844102
            ]
            [
                0.947051
                0.599282
                0.53184
            ]
            [
                0.847863
                0.725826
                0.019878
            ]
            [
                0.222259
                0.670166
                0.607375
            ]
            [
                0.012295
                0.783438
                0.870964
            ]
            [
                0.158869
                0.509884
                0.723764
            ]
            [
                0.950298
                0.075472
                0.540395
            ]
            [
                0.777741
                0.329834
                0.392625
            ]
            [
                0.84288
                0.505318
                0.46999
            ]
            [
                0.979574
                0.290516
                0.617319
            ]
            [
                0.244129
                0.582673
                0.479471
            ]
            [
                0.020426
                0.709484
                0.382681
            ]
            [
                0.16443
                0.838336
                0.860844
            ]
            [
                0.157976
                0.021656
                0.079621
            ]
            [
                0.947051
                0.400718
                0.03184
            ]
            [
                0.512295
                0.716562
                0.370964
            ]
            [
                0.427467
                0.403741
                0.172363
            ]
            [
                0.533503
                0.576976
                0.658314
            ]
            [
                0.356699
                0.293778
                0.360659
            ]
            [
                0.60092
                0.377744
                0.726997
            ]
            [
                0.342024
                0.478344
                0.920379
            ]
            [
                0.580857
                0.847543
                0.742868
            ]
            [
                0.744365
                0.412818
                0.155898
            ]
            [
                0.533503
                0.423024
                0.158314
            ]
            [
                0.622687
                0.997383
                0.857213
            ]
            [
                0.356699
                0.706222
                0.860659
            ]
            [
                0.487705
                0.283438
                0.629036
            ]
            [
                0.682273
                0.53572
                0.782374
            ]
            [
                0.300424
                0.317708
                0.474285
            ]
            [
                0.683005
                0.810504
                0.813629
            ]
            [
                0.652137
                0.225826
                0.480122
            ]
            [
                0.347863
                0.774174
                0.519878
            ]
            [
                0.342024
                0.521656
                0.420379
            ]
            [
                0.744129
                0.917327
                0.979471
            ]
            [
                0.341131
                0.009884
                0.776236
            ]
            [
                0.450298
                0.424528
                0.040395
            ]
            [
                0.479574
                0.209484
                0.117319
            ]
            [
                0.549702
                0.575472
                0.959605
            ]
            [
                0.34288
                0.994682
                0.96999
            ]
            [
                0.292482
                0.689735
                0.266064
            ]
            [
                0.511055
                0.040269
                0.66087
            ]
            [
                0.466497
                0.423024
                0.341686
            ]
            [
                0.444326
                0.152947
                0.941561
            ]
            [
                0.60092
                0.622256
                0.226997
            ]
            [
                0.699576
                0.682292
                0.525715
            ]
            [
                0.580857
                0.152457
                0.242868
            ]
            [
                0.66443
                0.661664
                0.360844
            ]
            [
                0.255871
                0.082673
                0.020529
            ]
            [
                0.466497
                0.576976
                0.841686
            ]
            [
                0.255871
                0.917327
                0.520529
            ]
            [
                0.316995
                0.810504
                0.686371
            ]
            [
                0.419143
                0.152457
                0.257132
            ]
            [
                0.65712
                0.994682
                0.53001
            ]
            [
                0.520426
                0.790516
                0.882681
            ]
            [
                0.699576
                0.317708
                0.025715
            ]
            [
                0.377313
                0.997383
                0.642787
            ]
            [
                0.683005
                0.189496
                0.313629
            ]
            [
                0.317727
                0.46428
                0.217626
            ]
            [
                0.488945
                0.959731
                0.33913
            ]
            [
                0.555674
                0.152947
                0.558439
            ]
            [
                0.643301
                0.293778
                0.139341
            ]
            [
                0.555674
                0.847053
                0.058439
            ]
            [
                0.549702
                0.424528
                0.459605
            ]
            [
                0.652137
                0.774174
                0.980122
            ]
            [
                0.377313
                0.002617
                0.142787
            ]
            [
                0.65712
                0.005318
                0.03001
            ]
            [
                0.643301
                0.706222
                0.639341
            ]
            [
                0.572533
                0.403741
                0.327637
            ]
            [
                0.39908
                0.622256
                0.273003
            ]
            [
                0.622687
                0.002617
                0.357213
            ]
            [
                0.707518
                0.310265
                0.733936
            ]
            [
                0.33557
                0.338336
                0.639156
            ]
            [
                0.572533
                0.596259
                0.827637
            ]
            [
                0.658869
                0.990116
                0.223764
            ]
            [
                0.292482
                0.310265
                0.766064
            ]
            [
                0.341131
                0.990116
                0.276236
            ]
            [
                0.39908
                0.377744
                0.773003
            ]
            [
                0.707518
                0.689735
                0.233936
            ]
            [
                0.552949
                0.900718
                0.46816
            ]
            [
                0.487705
                0.716562
                0.129036
            ]
            [
                0.552949
                0.099282
                0.96816
            ]
            [
                0.277741
                0.170166
                0.892625
            ]
            [
                0.427467
                0.596259
                0.672363
            ]
            [
                0.419143
                0.847543
                0.757132
            ]
            [
                0.255635
                0.412818
                0.344102
            ]
            [
                0.444326
                0.847053
                0.441561
            ]
            [
                0.33557
                0.661664
                0.139156
            ]
            [
                0.316995
                0.189496
                0.186371
            ]
            [
                0.300424
                0.682292
                0.974285
            ]
            [
                0.488945
                0.040269
                0.83913
            ]
            [
                0.657976
                0.478344
                0.579621
            ]
            [
                0.722259
                0.829834
                0.107375
            ]
            [
                0.682273
                0.46428
                0.282374
            ]
            [
                0.317727
                0.53572
                0.717626
            ]
            [
                0.511055
                0.959731
                0.16087
            ]
            [
                0.744365
                0.587182
                0.655898
            ]
            [
                0.255635
                0.587182
                0.844102
            ]
            [
                0.447051
                0.099282
                0.53184
            ]
            [
                0.347863
                0.225826
                0.019878
            ]
            [
                0.722259
                0.170166
                0.607375
            ]
            [
                0.512295
                0.283438
                0.870964
            ]
            [
                0.658869
                0.009884
                0.723764
            ]
            [
                0.450298
                0.575472
                0.540395
            ]
            [
                0.277741
                0.829834
                0.392625
            ]
            [
                0.34288
                0.005318
                0.46999
            ]
            [
                0.479574
                0.790516
                0.617319
            ]
            [
                0.744129
                0.082673
                0.479471
            ]
            [
                0.520426
                0.209484
                0.382681
            ]
            [
                0.66443
                0.338336
                0.860844
            ]
            [
                0.657976
                0.521656
                0.079621
            ]
            [
                0.447051
                0.900718
                0.03184
            ]
        ]
    }
    "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"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "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" 23.1492784747
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 10.11881338
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 17.3409586381
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 99.9880392271
        "source-unit" "degree"
    }
}