{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "R3c"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0
                0
                0.313159
            ]
            [
                0.666667
                0.333333
                0.646492
            ]
            [
                0.333333
                0.666667
                0.979826
            ]
            [
                0
                0
                0.813159
            ]
            [
                0.666667
                0.333333
                0.146492
            ]
            [
                0.333333
                0.666667
                0.479826
            ]
            [
                0.854034
                0.120999
                0.173857
            ]
            [
                0.520701
                0.454332
                0.507191
            ]
            [
                0.187368
                0.787665
                0.840524
            ]
            [
                0.858116
                0.726993
                0.566815
            ]
            [
                0.524782
                0.060327
                0.900149
            ]
            [
                0.191449
                0.39366
                0.233482
            ]
            [
                0.868878
                0.141884
                0.566815
            ]
            [
                0.535544
                0.475218
                0.900149
            ]
            [
                0.202211
                0.808551
                0.233482
            ]
            [
                0.879001
                0.733036
                0.173857
            ]
            [
                0.545668
                0.066369
                0.507191
            ]
            [
                0.212335
                0.399703
                0.840524
            ]
            [
                0.266964
                0.145966
                0.173857
            ]
            [
                0.933631
                0.479299
                0.507191
            ]
            [
                0.600297
                0.812632
                0.840524
            ]
            [
                0.879001
                0.145966
                0.673857
            ]
            [
                0.545668
                0.479299
                0.007191
            ]
            [
                0.212335
                0.812632
                0.340524
            ]
            [
                0.854034
                0.733036
                0.673857
            ]
            [
                0.520701
                0.066369
                0.007191
            ]
            [
                0.187368
                0.399703
                0.340524
            ]
            [
                0.266964
                0.120999
                0.673857
            ]
            [
                0.933631
                0.454332
                0.007191
            ]
            [
                0.600297
                0.787665
                0.340524
            ]
            [
                0.792365
                0.616798
                0.267951
            ]
            [
                0.459032
                0.950132
                0.601284
            ]
            [
                0.125698
                0.283465
                0.934617
            ]
            [
                0.383202
                0.175567
                0.267951
            ]
            [
                0.049868
                0.5089
                0.601284
            ]
            [
                0.716535
                0.842233
                0.934617
            ]
            [
                0.273007
                0.131122
                0.566815
            ]
            [
                0.939673
                0.464456
                0.900149
            ]
            [
                0.60634
                0.797789
                0.233482
            ]
            [
                0.716535
                0.874302
                0.434617
            ]
            [
                0.383202
                0.207635
                0.767951
            ]
            [
                0.049868
                0.540968
                0.101284
            ]
            [
                0.125698
                0.842233
                0.434617
            ]
            [
                0.792365
                0.175567
                0.767951
            ]
            [
                0.459032
                0.5089
                0.101284
            ]
            [
                0.157767
                0.283465
                0.434617
            ]
            [
                0.824433
                0.616798
                0.767951
            ]
            [
                0.4911
                0.950132
                0.101284
            ]
            [
                0.202211
                0.39366
                0.733482
            ]
            [
                0.868878
                0.726993
                0.066815
            ]
            [
                0.535544
                0.060327
                0.400149
            ]
            [
                0.60634
                0.808551
                0.733482
            ]
            [
                0.273007
                0.141884
                0.066815
            ]
            [
                0.939673
                0.475218
                0.400149
            ]
            [
                0.191449
                0.797789
                0.733482
            ]
            [
                0.858116
                0.131122
                0.066815
            ]
            [
                0.524782
                0.464456
                0.400149
            ]
            [
                0.824433
                0.207635
                0.267951
            ]
            [
                0.4911
                0.540968
                0.601284
            ]
            [
                0.157767
                0.874302
                0.934617
            ]
            [
                0
                0
                0.99885
            ]
            [
                0.666667
                0.333333
                0.332183
            ]
            [
                0.333333
                0.666667
                0.665517
            ]
            [
                0
                0
                0.49885
            ]
            [
                0.666667
                0.333333
                0.832183
            ]
            [
                0.333333
                0.666667
                0.165517
            ]
            [
                0.86459
                0.174015
                0.364904
            ]
            [
                0.531256
                0.507348
                0.698238
            ]
            [
                0.197923
                0.840682
                0.031571
            ]
            [
                0.679618
                0.861344
                0.634381
            ]
            [
                0.346285
                0.194677
                0.967715
            ]
            [
                0.012951
                0.528011
                0.301048
            ]
            [
                0.138656
                0.818274
                0.634381
            ]
            [
                0.805323
                0.151607
                0.967715
            ]
            [
                0.471989
                0.48494
                0.301048
            ]
            [
                0.181726
                0.320382
                0.634381
            ]
            [
                0.848393
                0.653715
                0.967715
            ]
            [
                0.51506
                0.987049
                0.301048
            ]
            [
                0.825985
                0.690574
                0.364904
            ]
            [
                0.492652
                0.023908
                0.698238
            ]
            [
                0.159318
                0.357241
                0.031571
            ]
            [
                0.309426
                0.13541
                0.364904
            ]
            [
                0.976092
                0.468744
                0.698238
            ]
            [
                0.642759
                0.802077
                0.031571
            ]
            [
                0.848393
                0.194677
                0.467715
            ]
            [
                0.51506
                0.528011
                0.801048
            ]
            [
                0.181726
                0.861344
                0.134381
            ]
            [
                0.642759
                0.840682
                0.531571
            ]
            [
                0.309426
                0.174015
                0.864904
            ]
            [
                0.976092
                0.507348
                0.198238
            ]
            [
                0.159318
                0.802077
                0.531571
            ]
            [
                0.825985
                0.13541
                0.864904
            ]
            [
                0.492652
                0.468744
                0.198238
            ]
            [
                0.197923
                0.357241
                0.531571
            ]
            [
                0.86459
                0.690574
                0.864904
            ]
            [
                0.531256
                0.023908
                0.198238
            ]
            [
                0
                0
                0.233485
            ]
            [
                0.666667
                0.333333
                0.566819
            ]
            [
                0.333333
                0.666667
                0.900152
            ]
            [
                0
                0
                0.733485
            ]
            [
                0.666667
                0.333333
                0.066819
            ]
            [
                0.333333
                0.666667
                0.400152
            ]
            [
                0.346285
                0.151607
                0.467715
            ]
            [
                0.012951
                0.48494
                0.801048
            ]
            [
                0.679618
                0.818274
                0.134381
            ]
            [
                0.805323
                0.653715
                0.467715
            ]
            [
                0.471989
                0.987049
                0.801048
            ]
            [
                0.138656
                0.320382
                0.134381
            ]
            [
                0.801558
                0.622774
                0.508227
            ]
            [
                0.468224
                0.956107
                0.84156
            ]
            [
                0.134891
                0.28944
                0.174894
            ]
            [
                0.377226
                0.178784
                0.508227
            ]
            [
                0.043893
                0.512117
                0.84156
            ]
            [
                0.71056
                0.845451
                0.174894
            ]
            [
                0.821216
                0.198442
                0.508227
            ]
            [
                0.487883
                0.531776
                0.84156
            ]
            [
                0.154549
                0.865109
                0.174894
            ]
            [
                0.71056
                0.865109
                0.674894
            ]
            [
                0.377226
                0.198442
                0.008227
            ]
            [
                0.043893
                0.531776
                0.34156
            ]
            [
                0.134891
                0.845451
                0.674894
            ]
            [
                0.801558
                0.178784
                0.008227
            ]
            [
                0.468224
                0.512117
                0.34156
            ]
            [
                0.154549
                0.28944
                0.674894
            ]
            [
                0.821216
                0.622774
                0.008227
            ]
            [
                0.487883
                0.956107
                0.34156
            ]
            [
                0.900095
                0.822024
                0.459481
            ]
            [
                0.566762
                0.155357
                0.792814
            ]
            [
                0.233429
                0.48869
                0.126147
            ]
            [
                0.177976
                0.078072
                0.459481
            ]
            [
                0.844643
                0.411405
                0.792814
            ]
            [
                0.51131
                0.744738
                0.126147
            ]
            [
                0.921928
                0.099905
                0.459481
            ]
            [
                0.588595
                0.433238
                0.792814
            ]
            [
                0.255262
                0.766571
                0.126147
            ]
            [
                0.51131
                0.766571
                0.626147
            ]
            [
                0.177976
                0.099905
                0.959481
            ]
            [
                0.844643
                0.433238
                0.292814
            ]
            [
                0.233429
                0.744738
                0.626147
            ]
            [
                0.900095
                0.078072
                0.959481
            ]
            [
                0.566762
                0.411405
                0.292814
            ]
            [
                0.255262
                0.48869
                0.626147
            ]
            [
                0.921928
                0.822024
                0.959481
            ]
            [
                0.588595
                0.155357
                0.292814
            ]
            [
                0.877896
                0.575095
                0.448774
            ]
            [
                0.544563
                0.908428
                0.782108
            ]
            [
                0.21123
                0.241762
                0.115441
            ]
            [
                0.424905
                0.302801
                0.448774
            ]
            [
                0.091572
                0.636134
                0.782108
            ]
            [
                0.758238
                0.969468
                0.115441
            ]
            [
                0.697199
                0.122104
                0.448774
            ]
            [
                0.363866
                0.455437
                0.782108
            ]
            [
                0.030532
                0.78877
                0.115441
            ]
            [
                0.758238
                0.78877
                0.615441
            ]
            [
                0.424905
                0.122104
                0.948774
            ]
            [
                0.091572
                0.455437
                0.282108
            ]
            [
                0.21123
                0.969468
                0.615441
            ]
            [
                0.877896
                0.302801
                0.948774
            ]
            [
                0.544563
                0.636134
                0.282108
            ]
            [
                0.030532
                0.241762
                0.615441
            ]
            [
                0.697199
                0.575095
                0.948774
            ]
            [
                0.363866
                0.908428
                0.282108
            ]
            [
                0.64483
                0.600404
                0.455609
            ]
            [
                0.311497
                0.933737
                0.788942
            ]
            [
                0.978164
                0.267071
                0.122276
            ]
            [
                0.399596
                0.044426
                0.455609
            ]
            [
                0.066263
                0.37776
                0.788942
            ]
            [
                0.732929
                0.711093
                0.122276
            ]
            [
                0.955574
                0.35517
                0.455609
            ]
            [
                0.62224
                0.688503
                0.788942
            ]
            [
                0.288907
                0.021836
                0.122276
            ]
            [
                0.732929
                0.021836
                0.622276
            ]
            [
                0.399596
                0.35517
                0.955609
            ]
            [
                0.066263
                0.688503
                0.288942
            ]
            [
                0.985574
                0.762246
                0.378952
            ]
            [
                0.652241
                0.09558
                0.712286
            ]
            [
                0.318907
                0.428913
                0.045619
            ]
            [
                0.288907
                0.267071
                0.622276
            ]
            [
                0.955574
                0.600404
                0.955609
            ]
            [
                0.62224
                0.933737
                0.288942
            ]
            [
                0.75621
                0.518487
                0.368645
            ]
            [
                0.422877
                0.85182
                0.701978
            ]
            [
                0.089544
                0.185154
                0.035312
            ]
            [
                0.481513
                0.237723
                0.368645
            ]
            [
                0.14818
                0.571057
                0.701978
            ]
            [
                0.814846
                0.90439
                0.035312
            ]
            [
                0.762277
                0.24379
                0.368645
            ]
            [
                0.428943
                0.577123
                0.701978
            ]
            [
                0.09561
                0.910456
                0.035312
            ]
            [
                0.814846
                0.910456
                0.535312
            ]
            [
                0.481513
                0.24379
                0.868645
            ]
            [
                0.14818
                0.577123
                0.201978
            ]
            [
                0.089544
                0.90439
                0.535312
            ]
            [
                0.75621
                0.237723
                0.868645
            ]
            [
                0.422877
                0.571057
                0.201978
            ]
            [
                0.09561
                0.185154
                0.535312
            ]
            [
                0.762277
                0.518487
                0.868645
            ]
            [
                0.428943
                0.85182
                0.201978
            ]
            [
                0.720532
                0.725326
                0.387051
            ]
            [
                0.387199
                0.05866
                0.720384
            ]
            [
                0.053865
                0.391993
                0.053717
            ]
            [
                0.274674
                0.995206
                0.387051
            ]
            [
                0.94134
                0.328539
                0.720384
            ]
            [
                0.608007
                0.661872
                0.053717
            ]
            [
                0.004794
                0.279468
                0.387051
            ]
            [
                0.671461
                0.612801
                0.720384
            ]
            [
                0.338128
                0.946135
                0.053717
            ]
            [
                0.608007
                0.946135
                0.553717
            ]
            [
                0.274674
                0.279468
                0.887051
            ]
            [
                0.94134
                0.612801
                0.220384
            ]
            [
                0.053865
                0.661872
                0.553717
            ]
            [
                0.720532
                0.995206
                0.887051
            ]
            [
                0.387199
                0.328539
                0.220384
            ]
            [
                0.338128
                0.391993
                0.553717
            ]
            [
                0.004794
                0.725326
                0.887051
            ]
            [
                0.671461
                0.05866
                0.220384
            ]
            [
                0
                0
                0.692152
            ]
            [
                0.666667
                0.333333
                0.025485
            ]
            [
                0.333333
                0.666667
                0.358818
            ]
            [
                0
                0
                0.192152
            ]
            [
                0.666667
                0.333333
                0.525485
            ]
            [
                0.333333
                0.666667
                0.858818
            ]
            [
                0.860666
                0.001954
                0.747285
            ]
            [
                0.527332
                0.335288
                0.080618
            ]
            [
                0.193999
                0.668621
                0.413951
            ]
            [
                0.141289
                0.139334
                0.747285
            ]
            [
                0.807955
                0.472668
                0.080618
            ]
            [
                0.474622
                0.806001
                0.413951
            ]
            [
                0.998046
                0.858711
                0.747285
            ]
            [
                0.664712
                0.192045
                0.080618
            ]
            [
                0.331379
                0.525378
                0.413951
            ]
            [
                0.860666
                0.858711
                0.247285
            ]
            [
                0.527332
                0.192045
                0.580618
            ]
            [
                0.193999
                0.525378
                0.913951
            ]
            [
                0.998046
                0.139334
                0.247285
            ]
            [
                0.664712
                0.472668
                0.580618
            ]
            [
                0.331379
                0.806001
                0.913951
            ]
            [
                0.141289
                0.001954
                0.247285
            ]
            [
                0.807955
                0.335288
                0.580618
            ]
            [
                0.474622
                0.668621
                0.913951
            ]
            [
                0.251886
                0.407563
                0.492746
            ]
            [
                0.918552
                0.740896
                0.82608
            ]
            [
                0.585219
                0.07423
                0.159413
            ]
            [
                0.155677
                0.748114
                0.492746
            ]
            [
                0.822344
                0.081448
                0.82608
            ]
            [
                0.489011
                0.414781
                0.159413
            ]
            [
                0.592437
                0.844323
                0.492746
            ]
            [
                0.259104
                0.177656
                0.82608
            ]
            [
                0.92577
                0.510989
                0.159413
            ]
            [
                0.918552
                0.177656
                0.32608
            ]
            [
                0.585219
                0.510989
                0.659413
            ]
            [
                0.251886
                0.844323
                0.992746
            ]
            [
                0.259104
                0.081448
                0.32608
            ]
            [
                0.92577
                0.414781
                0.659413
            ]
            [
                0.592437
                0.748114
                0.992746
            ]
            [
                0.822344
                0.740896
                0.32608
            ]
            [
                0.489011
                0.07423
                0.659413
            ]
            [
                0.155677
                0.407563
                0.992746
            ]
            [
                0.110006
                0.428913
                0.545619
            ]
            [
                0.776672
                0.762246
                0.878952
            ]
            [
                0.443339
                0.09558
                0.212286
            ]
            [
                0.318907
                0.889994
                0.545619
            ]
            [
                0.985574
                0.223328
                0.878952
            ]
            [
                0.652241
                0.556661
                0.212286
            ]
            [
                0.571087
                0.681093
                0.545619
            ]
            [
                0.237754
                0.014426
                0.878952
            ]
            [
                0.90442
                0.347759
                0.212286
            ]
            [
                0.776672
                0.014426
                0.378952
            ]
            [
                0.443339
                0.347759
                0.712286
            ]
            [
                0.110006
                0.681093
                0.045619
            ]
            [
                0.237754
                0.223328
                0.378952
            ]
            [
                0.90442
                0.556661
                0.712286
            ]
            [
                0.571087
                0.889994
                0.045619
            ]
            [
                0.978164
                0.711093
                0.622276
            ]
            [
                0.64483
                0.044426
                0.955609
            ]
            [
                0.311497
                0.37776
                0.288942
            ]
        ]
    }
    "species" {
        "source-value" [
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "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"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 10.4856741212
        "source-unit" "angstrom"
    }
    "alpha" {
        "source-value" 90
        "source-unit" "degree"
    }
}