{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "Ibam"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.924639
                0
                0.855948
            ]
            [
                0.075361
                0
                0.144052
            ]
            [
                0.424639
                0
                0.644052
            ]
            [
                0.575361
                0
                0.355948
            ]
            [
                0.750643
                0
                0.78082
            ]
            [
                0.249357
                0
                0.21918
            ]
            [
                0.250643
                0
                0.71918
            ]
            [
                0.749357
                0
                0.28082
            ]
            [
                0.777213
                0.208665
                0.86137
            ]
            [
                0.222787
                0.208665
                0.13863
            ]
            [
                0.777213
                0.291335
                0.13863
            ]
            [
                0.222787
                0.291335
                0.86137
            ]
            [
                0.222787
                0.791335
                0.13863
            ]
            [
                0.777213
                0.791335
                0.86137
            ]
            [
                0.222787
                0.708665
                0.86137
            ]
            [
                0.777213
                0.708665
                0.13863
            ]
            [
                0.562265
                0.128304
                0.882142
            ]
            [
                0.437735
                0.128304
                0.117858
            ]
            [
                0.562265
                0.371696
                0.117858
            ]
            [
                0.437735
                0.371696
                0.882142
            ]
            [
                0.437735
                0.871696
                0.117858
            ]
            [
                0.562265
                0.871696
                0.882142
            ]
            [
                0.437735
                0.628304
                0.882142
            ]
            [
                0.562265
                0.628304
                0.117858
            ]
            [
                0.739579
                0.121579
                0.966397
            ]
            [
                0.260421
                0.121579
                0.033603
            ]
            [
                0.739579
                0.378421
                0.033603
            ]
            [
                0.260421
                0.378421
                0.966397
            ]
            [
                0.260421
                0.878421
                0.033603
            ]
            [
                0.739579
                0.878421
                0.966397
            ]
            [
                0.260421
                0.621579
                0.966397
            ]
            [
                0.739579
                0.621579
                0.033603
            ]
            [
                0.424639
                0.5
                0.355948
            ]
            [
                0.575361
                0.5
                0.644052
            ]
            [
                0.924639
                0.5
                0.144052
            ]
            [
                0.075361
                0.5
                0.855948
            ]
            [
                0.250643
                0.5
                0.28082
            ]
            [
                0.749357
                0.5
                0.71918
            ]
            [
                0.750643
                0.5
                0.21918
            ]
            [
                0.249357
                0.5
                0.78082
            ]
            [
                0.277213
                0.708665
                0.36137
            ]
            [
                0.722787
                0.708665
                0.63863
            ]
            [
                0.277213
                0.791335
                0.63863
            ]
            [
                0.722787
                0.791335
                0.36137
            ]
            [
                0.722787
                0.291335
                0.63863
            ]
            [
                0.277213
                0.291335
                0.36137
            ]
            [
                0.722787
                0.208665
                0.36137
            ]
            [
                0.277213
                0.208665
                0.63863
            ]
            [
                0.062265
                0.628304
                0.382142
            ]
            [
                0.937735
                0.628304
                0.617858
            ]
            [
                0.062265
                0.871696
                0.617858
            ]
            [
                0.937735
                0.871696
                0.382142
            ]
            [
                0.937735
                0.371696
                0.617858
            ]
            [
                0.062265
                0.371696
                0.382142
            ]
            [
                0.937735
                0.128304
                0.382142
            ]
            [
                0.062265
                0.128304
                0.617858
            ]
            [
                0.239579
                0.621579
                0.466397
            ]
            [
                0.760421
                0.621579
                0.533603
            ]
            [
                0.239579
                0.878421
                0.533603
            ]
            [
                0.760421
                0.878421
                0.466397
            ]
            [
                0.760421
                0.378421
                0.533603
            ]
            [
                0.239579
                0.378421
                0.466397
            ]
            [
                0.760421
                0.121579
                0.466397
            ]
            [
                0.239579
                0.121579
                0.533603
            ]
            [
                0.709949
                0.123375
                0.893159
            ]
            [
                0.290051
                0.123375
                0.106841
            ]
            [
                0.709949
                0.376625
                0.106841
            ]
            [
                0.290051
                0.376625
                0.893159
            ]
            [
                0.290051
                0.876625
                0.106841
            ]
            [
                0.709949
                0.876625
                0.893159
            ]
            [
                0.290051
                0.623375
                0.893159
            ]
            [
                0.709949
                0.623375
                0.106841
            ]
            [
                0.209949
                0.623375
                0.393159
            ]
            [
                0.790051
                0.623375
                0.606841
            ]
            [
                0.209949
                0.876625
                0.606841
            ]
            [
                0.790051
                0.876625
                0.393159
            ]
            [
                0.790051
                0.376625
                0.606841
            ]
            [
                0.209949
                0.376625
                0.393159
            ]
            [
                0.790051
                0.123375
                0.393159
            ]
            [
                0.209949
                0.123375
                0.606841
            ]
            [
                0.780948
                0
                0.85148
            ]
            [
                0.219052
                0
                0.14852
            ]
            [
                0.280948
                0
                0.64852
            ]
            [
                0.719052
                0
                0.35148
            ]
            [
                0.280948
                0.5
                0.35148
            ]
            [
                0.719052
                0.5
                0.64852
            ]
            [
                0.780948
                0.5
                0.14852
            ]
            [
                0.219052
                0.5
                0.85148
            ]
            [
                0.203196
                0
                0.855644
            ]
            [
                0.796804
                0
                0.144356
            ]
            [
                0.703196
                0
                0.644356
            ]
            [
                0.296804
                0
                0.355644
            ]
            [
                0.703196
                0.5
                0.355644
            ]
            [
                0.296804
                0.5
                0.644356
            ]
            [
                0.203196
                0.5
                0.144356
            ]
            [
                0.796804
                0.5
                0.855644
            ]
        ]
    }
    "species" {
        "source-value" [
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 7.34205114
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 10.12536892
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 14.65921578
        "source-unit" "angstrom"
    }
}