{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "Fd-3m"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0
                0.25
                0.75
            ]
            [
                0.75
                0.25
                0
            ]
            [
                0
                0
                0.5
            ]
            [
                0.75
                0
                0.25
            ]
            [
                0
                0.75
                0.25
            ]
            [
                0.75
                0.75
                0.5
            ]
            [
                0
                0.5
                0
            ]
            [
                0.75
                0.5
                0.75
            ]
            [
                0.5
                0.25
                0.25
            ]
            [
                0.25
                0.25
                0.5
            ]
            [
                0.5
                0
                0
            ]
            [
                0.25
                0
                0.75
            ]
            [
                0.5
                0.75
                0.75
            ]
            [
                0.25
                0.75
                0
            ]
            [
                0.5
                0.5
                0.5
            ]
            [
                0.25
                0.5
                0.25
            ]
            [
                0
                0.25
                0.25
            ]
            [
                0.25
                0.25
                0
            ]
            [
                0
                0
                0
            ]
            [
                0.25
                0
                0.25
            ]
            [
                0
                0.75
                0.75
            ]
            [
                0.25
                0.75
                0.5
            ]
            [
                0
                0.5
                0.5
            ]
            [
                0.25
                0.5
                0.75
            ]
            [
                0.5
                0.25
                0.75
            ]
            [
                0.75
                0.25
                0.5
            ]
            [
                0.5
                0
                0.5
            ]
            [
                0.75
                0
                0.75
            ]
            [
                0.5
                0.75
                0.25
            ]
            [
                0.75
                0.75
                0
            ]
            [
                0.5
                0.5
                0
            ]
            [
                0.75
                0.5
                0.25
            ]
            [
                0.875
                0.875
                0.375
            ]
            [
                0.625
                0.125
                0.125
            ]
            [
                0.168467
                0.875
                0.375
            ]
            [
                0.918467
                0.125
                0.125
            ]
            [
                0.375
                0.875
                0.168467
            ]
            [
                0.375
                0.081533
                0.375
            ]
            [
                0.375
                0.168467
                0.875
            ]
            [
                0.375
                0.875
                0.581533
            ]
            [
                0.581533
                0.875
                0.375
            ]
            [
                0.125
                0.831533
                0.625
            ]
            [
                0.125
                0.918467
                0.125
            ]
            [
                0.331533
                0.125
                0.125
            ]
            [
                0.125
                0.125
                0.918467
            ]
            [
                0.125
                0.125
                0.331533
            ]
            [
                0.875
                0.375
                0.875
            ]
            [
                0.625
                0.625
                0.625
            ]
            [
                0.168467
                0.375
                0.875
            ]
            [
                0.918467
                0.625
                0.625
            ]
            [
                0.375
                0.375
                0.668467
            ]
            [
                0.375
                0.581533
                0.875
            ]
            [
                0.375
                0.668467
                0.375
            ]
            [
                0.375
                0.375
                0.081533
            ]
            [
                0.581533
                0.375
                0.875
            ]
            [
                0.125
                0.331533
                0.125
            ]
            [
                0.125
                0.418467
                0.625
            ]
            [
                0.331533
                0.625
                0.625
            ]
            [
                0.125
                0.625
                0.418467
            ]
            [
                0.125
                0.625
                0.831533
            ]
            [
                0.375
                0.875
                0.875
            ]
            [
                0.125
                0.125
                0.625
            ]
            [
                0.668467
                0.875
                0.875
            ]
            [
                0.418467
                0.125
                0.625
            ]
            [
                0.875
                0.875
                0.668467
            ]
            [
                0.875
                0.081533
                0.875
            ]
            [
                0.875
                0.168467
                0.375
            ]
            [
                0.875
                0.875
                0.081533
            ]
            [
                0.081533
                0.875
                0.875
            ]
            [
                0.625
                0.831533
                0.125
            ]
            [
                0.625
                0.918467
                0.625
            ]
            [
                0.831533
                0.125
                0.625
            ]
            [
                0.625
                0.125
                0.418467
            ]
            [
                0.625
                0.125
                0.831533
            ]
            [
                0.375
                0.375
                0.375
            ]
            [
                0.125
                0.625
                0.125
            ]
            [
                0.668467
                0.375
                0.375
            ]
            [
                0.418467
                0.625
                0.125
            ]
            [
                0.875
                0.375
                0.168467
            ]
            [
                0.875
                0.581533
                0.375
            ]
            [
                0.875
                0.668467
                0.875
            ]
            [
                0.875
                0.375
                0.581533
            ]
            [
                0.081533
                0.375
                0.375
            ]
            [
                0.625
                0.331533
                0.625
            ]
            [
                0.625
                0.418467
                0.125
            ]
            [
                0.831533
                0.625
                0.125
            ]
            [
                0.625
                0.625
                0.918467
            ]
            [
                0.625
                0.625
                0.331533
            ]
        ]
    }
    "species" {
        "source-value" [
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Er"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "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"
    }
    "short-name" {
        "source-value" [
            "diamond"
        ]
    }
    "a" {
        "source-value" 10.1185662503
        "source-unit" "angstrom"
    }
}