{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "P2_1/c"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.24231
                0.971743
                0.848527
            ]
            [
                0.685863
                0.706875
                0.857061
            ]
            [
                0.75769
                0.471743
                0.651473
            ]
            [
                0.314137
                0.206875
                0.642939
            ]
            [
                0.685863
                0.793125
                0.357061
            ]
            [
                0.24231
                0.528257
                0.348527
            ]
            [
                0.314137
                0.293125
                0.142939
            ]
            [
                0.75769
                0.028257
                0.151473
            ]
            [
                0.275941
                0.451909
                0.917249
            ]
            [
                0.843381
                0.166294
                0.919255
            ]
            [
                0.724059
                0.951909
                0.582751
            ]
            [
                0.156619
                0.666294
                0.580745
            ]
            [
                0.843381
                0.333706
                0.419255
            ]
            [
                0.275941
                0.048091
                0.417249
            ]
            [
                0.156619
                0.833706
                0.080745
            ]
            [
                0.724059
                0.548091
                0.082751
            ]
            [
                0.779264
                0.431044
                0.956132
            ]
            [
                0.138954
                0.224341
                0.943574
            ]
            [
                0.465311
                0.678781
                0.946888
            ]
            [
                0.987909
                0.895639
                0.909326
            ]
            [
                0.597708
                0.999683
                0.897657
            ]
            [
                0.001945
                0.567075
                0.811753
            ]
            [
                0.327347
                0.280524
                0.810788
            ]
            [
                0.685156
                0.257679
                0.761177
            ]
            [
                0.314844
                0.757679
                0.738823
            ]
            [
                0.672653
                0.780524
                0.689212
            ]
            [
                0.998055
                0.067075
                0.688247
            ]
            [
                0.402292
                0.499683
                0.602343
            ]
            [
                0.012091
                0.395639
                0.590674
            ]
            [
                0.861046
                0.724341
                0.556426
            ]
            [
                0.534689
                0.178781
                0.553112
            ]
            [
                0.220736
                0.931044
                0.543868
            ]
            [
                0.779264
                0.068956
                0.456132
            ]
            [
                0.465311
                0.821219
                0.446888
            ]
            [
                0.138954
                0.275659
                0.443574
            ]
            [
                0.987909
                0.604361
                0.409326
            ]
            [
                0.597708
                0.500317
                0.397657
            ]
            [
                0.001945
                0.932925
                0.311753
            ]
            [
                0.327347
                0.219476
                0.310788
            ]
            [
                0.685156
                0.242321
                0.261177
            ]
            [
                0.314844
                0.742321
                0.238823
            ]
            [
                0.672653
                0.719476
                0.189212
            ]
            [
                0.998055
                0.432925
                0.188247
            ]
            [
                0.402292
                0.000317
                0.102343
            ]
            [
                0.012091
                0.104361
                0.090674
            ]
            [
                0.534689
                0.321219
                0.053112
            ]
            [
                0.861046
                0.775659
                0.056426
            ]
            [
                0.220736
                0.568956
                0.043868
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
            "I"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 10.83946421
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 10.86842191
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 20.81730195
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 116.38839209
        "source-unit" "degree"
    }
}