{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "I-42d"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.184674
                0.148425
                0.303356
            ]
            [
                0.148425
                0.815326
                0.696644
            ]
            [
                0.851575
                0.184674
                0.696644
            ]
            [
                0.815326
                0.851575
                0.303356
            ]
            [
                0.315326
                0.148425
                0.946644
            ]
            [
                0.684674
                0.851575
                0.946644
            ]
            [
                0.148425
                0.684674
                0.053356
            ]
            [
                0.851575
                0.315326
                0.053356
            ]
            [
                0.999174
                0.25
                0.375
            ]
            [
                0.25
                0.000826
                0.625
            ]
            [
                0.75
                0.999174
                0.625
            ]
            [
                0.000826
                0.75
                0.375
            ]
            [
                0.684674
                0.648425
                0.803356
            ]
            [
                0.648425
                0.315326
                0.196644
            ]
            [
                0.351575
                0.684674
                0.196644
            ]
            [
                0.315326
                0.351575
                0.803356
            ]
            [
                0.815326
                0.648425
                0.446644
            ]
            [
                0.184674
                0.351575
                0.446644
            ]
            [
                0.648425
                0.184674
                0.553356
            ]
            [
                0.351575
                0.815326
                0.553356
            ]
            [
                0.499174
                0.75
                0.875
            ]
            [
                0.75
                0.500826
                0.125
            ]
            [
                0.25
                0.499174
                0.125
            ]
            [
                0.500826
                0.25
                0.875
            ]
            [
                0
                0
                0.5
            ]
            [
                0.5
                0
                0.75
            ]
            [
                0.080236
                0.25
                0.875
            ]
            [
                0.25
                0.919764
                0.125
            ]
            [
                0.75
                0.080236
                0.125
            ]
            [
                0.919764
                0.75
                0.875
            ]
            [
                0.5
                0.5
                0
            ]
            [
                0
                0.5
                0.25
            ]
            [
                0.580236
                0.75
                0.375
            ]
            [
                0.75
                0.419764
                0.625
            ]
            [
                0.25
                0.580236
                0.625
            ]
            [
                0.419764
                0.25
                0.375
            ]
            [
                0.163042
                0.069929
                0.501841
            ]
            [
                0.069929
                0.836958
                0.498159
            ]
            [
                0.930071
                0.163042
                0.498159
            ]
            [
                0.836958
                0.930071
                0.501841
            ]
            [
                0.336958
                0.069929
                0.748159
            ]
            [
                0.663042
                0.930071
                0.748159
            ]
            [
                0.069929
                0.663042
                0.251841
            ]
            [
                0.930071
                0.336958
                0.251841
            ]
            [
                0.248446
                0.25
                0.375
            ]
            [
                0.25
                0.751554
                0.625
            ]
            [
                0.75
                0.248446
                0.625
            ]
            [
                0.751554
                0.75
                0.375
            ]
            [
                0.25
                0.089909
                0.125
            ]
            [
                0.089909
                0.75
                0.875
            ]
            [
                0.910091
                0.25
                0.875
            ]
            [
                0.75
                0.910091
                0.125
            ]
            [
                0.073485
                0.186833
                0.209584
            ]
            [
                0.186833
                0.926515
                0.790416
            ]
            [
                0.813167
                0.073485
                0.790416
            ]
            [
                0.926515
                0.813167
                0.209584
            ]
            [
                0.926515
                0.686833
                0.540416
            ]
            [
                0.073485
                0.313167
                0.540416
            ]
            [
                0.686833
                0.073485
                0.459584
            ]
            [
                0.313167
                0.926515
                0.459584
            ]
            [
                0.663042
                0.569929
                0.001841
            ]
            [
                0.569929
                0.336958
                0.998159
            ]
            [
                0.430071
                0.663042
                0.998159
            ]
            [
                0.336958
                0.430071
                0.001841
            ]
            [
                0.836958
                0.569929
                0.248159
            ]
            [
                0.163042
                0.430071
                0.248159
            ]
            [
                0.569929
                0.163042
                0.751841
            ]
            [
                0.430071
                0.836958
                0.751841
            ]
            [
                0.748446
                0.75
                0.875
            ]
            [
                0.75
                0.251554
                0.125
            ]
            [
                0.25
                0.748446
                0.125
            ]
            [
                0.251554
                0.25
                0.875
            ]
            [
                0.75
                0.589909
                0.625
            ]
            [
                0.589909
                0.25
                0.375
            ]
            [
                0.410091
                0.75
                0.375
            ]
            [
                0.25
                0.410091
                0.625
            ]
            [
                0.573485
                0.686833
                0.709584
            ]
            [
                0.686833
                0.426515
                0.290416
            ]
            [
                0.313167
                0.573485
                0.290416
            ]
            [
                0.426515
                0.313167
                0.709584
            ]
            [
                0.426515
                0.186833
                0.040416
            ]
            [
                0.573485
                0.813167
                0.040416
            ]
            [
                0.186833
                0.573485
                0.959584
            ]
            [
                0.813167
                0.426515
                0.959584
            ]
        ]
    }
    "species" {
        "source-value" [
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "Pd"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "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" 11.7972421889
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 5.76839376383
        "source-unit" "angstrom"
    }
}