{
    "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" [
            [
                0.020926
                0.994604
                0.617451
            ]
            [
                0.020926
                0.005396
                0.117451
            ]
            [
                0.205151
                0.742442
                0.638883
            ]
            [
                0.225421
                0.973532
                0.745834
            ]
            [
                0.205151
                0.257558
                0.138883
            ]
            [
                0.225421
                0.026468
                0.245834
            ]
            [
                0.266552
                0.182053
                0.630675
            ]
            [
                0.273893
                0.947486
                0.524776
            ]
            [
                0.266552
                0.817947
                0.130675
            ]
            [
                0.273893
                0.052514
                0.024776
            ]
            [
                0.973994
                0.423529
                0.645618
            ]
            [
                0.973994
                0.576471
                0.145618
            ]
            [
                0.026006
                0.423529
                0.854382
            ]
            [
                0.026006
                0.576471
                0.354382
            ]
            [
                0.726107
                0.947486
                0.975224
            ]
            [
                0.733448
                0.182053
                0.869325
            ]
            [
                0.726107
                0.052514
                0.475224
            ]
            [
                0.733448
                0.817947
                0.369325
            ]
            [
                0.774579
                0.973532
                0.754166
            ]
            [
                0.794849
                0.742442
                0.861117
            ]
            [
                0.774579
                0.026468
                0.254166
            ]
            [
                0.794849
                0.257558
                0.361117
            ]
            [
                0.979074
                0.994604
                0.882549
            ]
            [
                0.979074
                0.005396
                0.382549
            ]
            [
                0.520926
                0.494604
                0.617451
            ]
            [
                0.520926
                0.505396
                0.117451
            ]
            [
                0.705151
                0.242442
                0.638883
            ]
            [
                0.725421
                0.473532
                0.745834
            ]
            [
                0.705151
                0.757558
                0.138883
            ]
            [
                0.725421
                0.526468
                0.245834
            ]
            [
                0.766552
                0.682053
                0.630675
            ]
            [
                0.773893
                0.447486
                0.524776
            ]
            [
                0.766552
                0.317947
                0.130675
            ]
            [
                0.773893
                0.552514
                0.024776
            ]
            [
                0.473994
                0.923529
                0.645618
            ]
            [
                0.473994
                0.076471
                0.145618
            ]
            [
                0.526006
                0.923529
                0.854382
            ]
            [
                0.526006
                0.076471
                0.354382
            ]
            [
                0.226107
                0.447486
                0.975224
            ]
            [
                0.233448
                0.682053
                0.869325
            ]
            [
                0.226107
                0.552514
                0.475224
            ]
            [
                0.233448
                0.317947
                0.369325
            ]
            [
                0.274579
                0.473532
                0.754166
            ]
            [
                0.294849
                0.242442
                0.861117
            ]
            [
                0.274579
                0.526468
                0.254166
            ]
            [
                0.294849
                0.757558
                0.361117
            ]
            [
                0.479074
                0.494604
                0.882549
            ]
            [
                0.479074
                0.505396
                0.382549
            ]
            [
                0.263644
                0.976569
                0.887709
            ]
            [
                0.263644
                0.023431
                0.387709
            ]
            [
                0.736356
                0.976569
                0.612291
            ]
            [
                0.736356
                0.023431
                0.112291
            ]
            [
                0.763644
                0.476569
                0.887709
            ]
            [
                0.763644
                0.523431
                0.387709
            ]
            [
                0.236356
                0.476569
                0.612291
            ]
            [
                0.236356
                0.523431
                0.112291
            ]
            [
                0.139837
                0.035094
                0.946575
            ]
            [
                0.139837
                0.964906
                0.446575
            ]
            [
                0.149286
                0.068125
                0.831361
            ]
            [
                0.150432
                0.098149
                0.559653
            ]
            [
                0.149286
                0.931875
                0.331361
            ]
            [
                0.150432
                0.901851
                0.059653
            ]
            [
                0.350471
                0.10711
                0.934428
            ]
            [
                0.840061
                0.326383
                0.704319
            ]
            [
                0.350471
                0.89289
                0.434428
            ]
            [
                0.868874
                0.850224
                0.611575
            ]
            [
                0.840061
                0.673617
                0.204319
            ]
            [
                0.376435
                0.062936
                0.827538
            ]
            [
                0.868874
                0.149776
                0.111575
            ]
            [
                0.864541
                0.304801
                0.582726
            ]
            [
                0.370716
                0.070505
                0.698775
            ]
            [
                0.877282
                0.37713
                0.931319
            ]
            [
                0.88256
                0.852496
                0.933421
            ]
            [
                0.882389
                0.10898
                0.812095
            ]
            [
                0.376435
                0.937064
                0.327538
            ]
            [
                0.864541
                0.695199
                0.082726
            ]
            [
                0.370716
                0.929495
                0.198775
            ]
            [
                0.877282
                0.62287
                0.431319
            ]
            [
                0.88256
                0.147504
                0.433421
            ]
            [
                0.882389
                0.89102
                0.312095
            ]
            [
                0.313173
                0.855005
                0.822211
            ]
            [
                0.399336
                0.060088
                0.580747
            ]
            [
                0.915561
                0.865051
                0.80741
            ]
            [
                0.313173
                0.144995
                0.322211
            ]
            [
                0.399336
                0.939912
                0.080747
            ]
            [
                0.915561
                0.134949
                0.30741
            ]
            [
                0.084439
                0.865051
                0.69259
            ]
            [
                0.600664
                0.060088
                0.919253
            ]
            [
                0.686827
                0.855005
                0.677789
            ]
            [
                0.084439
                0.134949
                0.19259
            ]
            [
                0.600664
                0.939912
                0.419253
            ]
            [
                0.686827
                0.144995
                0.177789
            ]
            [
                0.117611
                0.10898
                0.687905
            ]
            [
                0.11744
                0.852496
                0.566579
            ]
            [
                0.122718
                0.37713
                0.568681
            ]
            [
                0.629284
                0.070505
                0.801225
            ]
            [
                0.135459
                0.304801
                0.917274
            ]
            [
                0.623565
                0.062936
                0.672462
            ]
            [
                0.117611
                0.89102
                0.187905
            ]
            [
                0.11744
                0.147504
                0.066579
            ]
            [
                0.122718
                0.62287
                0.068681
            ]
            [
                0.629284
                0.929495
                0.301225
            ]
            [
                0.135459
                0.695199
                0.417274
            ]
            [
                0.131126
                0.850224
                0.888425
            ]
            [
                0.623565
                0.937064
                0.172462
            ]
            [
                0.159939
                0.326383
                0.795681
            ]
            [
                0.131126
                0.149776
                0.388425
            ]
            [
                0.649529
                0.10711
                0.565572
            ]
            [
                0.159939
                0.673617
                0.295681
            ]
            [
                0.649529
                0.89289
                0.065572
            ]
            [
                0.849568
                0.098149
                0.940347
            ]
            [
                0.850714
                0.068125
                0.668639
            ]
            [
                0.849568
                0.901851
                0.440347
            ]
            [
                0.850714
                0.931875
                0.168639
            ]
            [
                0.860163
                0.035094
                0.553425
            ]
            [
                0.860163
                0.964906
                0.053425
            ]
            [
                0.639837
                0.535094
                0.946575
            ]
            [
                0.639837
                0.464906
                0.446575
            ]
            [
                0.649286
                0.568125
                0.831361
            ]
            [
                0.650432
                0.598149
                0.559653
            ]
            [
                0.649286
                0.431875
                0.331361
            ]
            [
                0.650432
                0.401851
                0.059653
            ]
            [
                0.850471
                0.60711
                0.934428
            ]
            [
                0.340061
                0.826383
                0.704319
            ]
            [
                0.850471
                0.39289
                0.434428
            ]
            [
                0.368874
                0.350224
                0.611575
            ]
            [
                0.340061
                0.173617
                0.204319
            ]
            [
                0.876435
                0.562936
                0.827538
            ]
            [
                0.368874
                0.649776
                0.111575
            ]
            [
                0.364541
                0.804801
                0.582726
            ]
            [
                0.870716
                0.570505
                0.698775
            ]
            [
                0.377282
                0.87713
                0.931319
            ]
            [
                0.38256
                0.352496
                0.933421
            ]
            [
                0.382389
                0.60898
                0.812095
            ]
            [
                0.876435
                0.437064
                0.327538
            ]
            [
                0.364541
                0.195199
                0.082726
            ]
            [
                0.870716
                0.429495
                0.198775
            ]
            [
                0.377282
                0.12287
                0.431319
            ]
            [
                0.38256
                0.647504
                0.433421
            ]
            [
                0.382389
                0.39102
                0.312095
            ]
            [
                0.813173
                0.355005
                0.822211
            ]
            [
                0.899336
                0.560088
                0.580747
            ]
            [
                0.415561
                0.365051
                0.80741
            ]
            [
                0.813173
                0.644995
                0.322211
            ]
            [
                0.899336
                0.439912
                0.080747
            ]
            [
                0.415561
                0.634949
                0.30741
            ]
            [
                0.584439
                0.365051
                0.69259
            ]
            [
                0.100664
                0.560088
                0.919253
            ]
            [
                0.186827
                0.355005
                0.677789
            ]
            [
                0.584439
                0.634949
                0.19259
            ]
            [
                0.100664
                0.439912
                0.419253
            ]
            [
                0.186827
                0.644995
                0.177789
            ]
            [
                0.617611
                0.60898
                0.687905
            ]
            [
                0.61744
                0.352496
                0.566579
            ]
            [
                0.622718
                0.87713
                0.568681
            ]
            [
                0.129284
                0.570505
                0.801225
            ]
            [
                0.635459
                0.804801
                0.917274
            ]
            [
                0.123565
                0.562936
                0.672462
            ]
            [
                0.617611
                0.39102
                0.187905
            ]
            [
                0.61744
                0.647504
                0.066579
            ]
            [
                0.622718
                0.12287
                0.068681
            ]
            [
                0.129284
                0.429495
                0.301225
            ]
            [
                0.635459
                0.195199
                0.417274
            ]
            [
                0.631126
                0.350224
                0.888425
            ]
            [
                0.123565
                0.437064
                0.172462
            ]
            [
                0.659939
                0.826383
                0.795681
            ]
            [
                0.631126
                0.649776
                0.388425
            ]
            [
                0.149529
                0.60711
                0.565572
            ]
            [
                0.659939
                0.173617
                0.295681
            ]
            [
                0.149529
                0.39289
                0.065572
            ]
            [
                0.349568
                0.598149
                0.940347
            ]
            [
                0.350714
                0.568125
                0.668639
            ]
            [
                0.349568
                0.401851
                0.440347
            ]
            [
                0.350714
                0.431875
                0.168639
            ]
            [
                0.360163
                0.535094
                0.553425
            ]
            [
                0.360163
                0.464906
                0.053425
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Y"
            "Y"
            "Y"
            "Y"
            "Y"
            "Y"
            "Y"
            "Y"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 15.73465539
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 16.11711898
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 32.37402213
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 91.46728272
        "source-unit" "degree"
    }
}