{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "I4/mmm"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.233428
                0.233428
                0.118118
            ]
            [
                0.766572
                0.233428
                0.118118
            ]
            [
                0.233428
                0.766572
                0.881882
            ]
            [
                0.766572
                0.766572
                0.881882
            ]
            [
                0.766572
                0.766572
                0.118118
            ]
            [
                0.766572
                0.233428
                0.881882
            ]
            [
                0.233428
                0.233428
                0.881882
            ]
            [
                0.233428
                0.766572
                0.118118
            ]
            [
                0.733428
                0.733428
                0.618118
            ]
            [
                0.266572
                0.733428
                0.618118
            ]
            [
                0.733428
                0.266572
                0.381882
            ]
            [
                0.266572
                0.266572
                0.381882
            ]
            [
                0.266572
                0.266572
                0.618118
            ]
            [
                0.266572
                0.733428
                0.381882
            ]
            [
                0.733428
                0.733428
                0.381882
            ]
            [
                0.733428
                0.266572
                0.618118
            ]
            [
                0.5
                0
                0.25
            ]
            [
                0
                0.5
                0.25
            ]
            [
                0.5
                0.5
                0
            ]
            [
                0
                0.5
                0.75
            ]
            [
                0.5
                0
                0.75
            ]
            [
                0
                0
                0.5
            ]
            [
                0.5
                0.5
                0.755988
            ]
            [
                0.5
                0.5
                0.244012
            ]
            [
                0.5
                0
                0
            ]
            [
                0
                0.5
                0
            ]
            [
                0
                0
                0.255988
            ]
            [
                0
                0
                0.744012
            ]
            [
                0
                0.5
                0.5
            ]
            [
                0.5
                0
                0.5
            ]
            [
                0.5
                0.752406
                0
            ]
            [
                0.729394
                0
                0
            ]
            [
                0.752406
                0.5
                0
            ]
            [
                0.247594
                0.5
                0
            ]
            [
                0
                0.5
                0.876083
            ]
            [
                0
                0.729394
                0
            ]
            [
                0.270606
                0
                0
            ]
            [
                0.745882
                0.5
                0.754173
            ]
            [
                0.5
                0.247594
                0
            ]
            [
                0
                0
                0.140494
            ]
            [
                0
                0.270606
                0
            ]
            [
                0.5
                0.745882
                0.245827
            ]
            [
                0.5
                0.254118
                0.245827
            ]
            [
                0.5
                0.5
                0.126127
            ]
            [
                0.5
                0.254118
                0.754173
            ]
            [
                0
                0
                0.859506
            ]
            [
                0.745882
                0.5
                0.245827
            ]
            [
                0.5
                0.745882
                0.754173
            ]
            [
                0.5
                0.5
                0.873873
            ]
            [
                0.254118
                0.5
                0.754173
            ]
            [
                0.254118
                0.5
                0.245827
            ]
            [
                0.5
                0
                0.123917
            ]
            [
                0
                0.5
                0.123917
            ]
            [
                0.5
                0
                0.876083
            ]
            [
                0
                0.252406
                0.5
            ]
            [
                0.229394
                0.5
                0.5
            ]
            [
                0.252406
                0
                0.5
            ]
            [
                0.747594
                0
                0.5
            ]
            [
                0.5
                0
                0.376083
            ]
            [
                0.5
                0.229394
                0.5
            ]
            [
                0.770606
                0.5
                0.5
            ]
            [
                0.245882
                0
                0.254173
            ]
            [
                0
                0.747594
                0.5
            ]
            [
                0.5
                0.5
                0.640494
            ]
            [
                0.5
                0.770606
                0.5
            ]
            [
                0
                0.245882
                0.745827
            ]
            [
                0
                0.754118
                0.745827
            ]
            [
                0
                0
                0.626127
            ]
            [
                0
                0.754118
                0.254173
            ]
            [
                0.5
                0.5
                0.359506
            ]
            [
                0.245882
                0
                0.745827
            ]
            [
                0
                0.245882
                0.254173
            ]
            [
                0
                0
                0.373873
            ]
            [
                0.754118
                0
                0.254173
            ]
            [
                0.754118
                0
                0.745827
            ]
            [
                0
                0.5
                0.623917
            ]
            [
                0.5
                0
                0.623917
            ]
            [
                0
                0.5
                0.376083
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Zr"
            "Zr"
            "Zr"
            "Zr"
            "Zr"
            "Zr"
            "Sb"
            "Sb"
            "Sb"
            "Sb"
            "Sb"
            "Sb"
            "Sb"
            "Sb"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "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" 8.3940997
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 16.87023263
        "source-unit" "angstrom"
    }
}