{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "Fddd"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.75
                0.963551
                0.25
            ]
            [
                0.963446
                0.75
                0.25
            ]
            [
                0.213446
                0
                0
            ]
            [
                0
                0.213551
                0
            ]
            [
                0.75
                0.536449
                0.25
            ]
            [
                0.536554
                0.75
                0.25
            ]
            [
                0.786554
                0
                0
            ]
            [
                0
                0.786449
                0
            ]
            [
                0.75
                0.463551
                0.75
            ]
            [
                0.963446
                0.25
                0.75
            ]
            [
                0.213446
                0.5
                0.5
            ]
            [
                0
                0.713551
                0.5
            ]
            [
                0.75
                0.036449
                0.75
            ]
            [
                0.536554
                0.25
                0.75
            ]
            [
                0.786554
                0.5
                0.5
            ]
            [
                0
                0.286449
                0.5
            ]
            [
                0.25
                0.963551
                0.75
            ]
            [
                0.463446
                0.75
                0.75
            ]
            [
                0.713446
                0
                0.5
            ]
            [
                0.5
                0.213551
                0.5
            ]
            [
                0.25
                0.536449
                0.75
            ]
            [
                0.036554
                0.75
                0.75
            ]
            [
                0.286554
                0
                0.5
            ]
            [
                0.5
                0.786449
                0.5
            ]
            [
                0.25
                0.463551
                0.25
            ]
            [
                0.463446
                0.25
                0.25
            ]
            [
                0.713446
                0.5
                0
            ]
            [
                0.5
                0.713551
                0
            ]
            [
                0.25
                0.036449
                0.25
            ]
            [
                0.036554
                0.25
                0.25
            ]
            [
                0.286554
                0.5
                0
            ]
            [
                0.5
                0.286449
                0
            ]
            [
                0.625
                0.125
                0.125
            ]
            [
                0.875
                0.375
                0.125
            ]
            [
                0.875
                0.625
                0.875
            ]
            [
                0.625
                0.875
                0.875
            ]
            [
                0.625
                0.625
                0.625
            ]
            [
                0.875
                0.875
                0.625
            ]
            [
                0.875
                0.125
                0.375
            ]
            [
                0.625
                0.375
                0.375
            ]
            [
                0.125
                0.125
                0.625
            ]
            [
                0.375
                0.375
                0.625
            ]
            [
                0.375
                0.625
                0.375
            ]
            [
                0.125
                0.875
                0.375
            ]
            [
                0.125
                0.625
                0.125
            ]
            [
                0.375
                0.875
                0.125
            ]
            [
                0.375
                0.125
                0.875
            ]
            [
                0.125
                0.375
                0.875
            ]
            [
                0
                0
                0
            ]
            [
                0.75
                0.75
                0.25
            ]
            [
                0
                0.5
                0.5
            ]
            [
                0.75
                0.25
                0.75
            ]
            [
                0.5
                0
                0.5
            ]
            [
                0.25
                0.75
                0.75
            ]
            [
                0.5
                0.5
                0
            ]
            [
                0.25
                0.25
                0.25
            ]
            [
                0.411118
                0.912898
                0.916026
            ]
            [
                0.661118
                0.162898
                0.333974
            ]
            [
                0.588882
                0.912898
                0.083974
            ]
            [
                0.911118
                0.587102
                0.083974
            ]
            [
                0.838882
                0.162898
                0.166026
            ]
            [
                0.161118
                0.837102
                0.166026
            ]
            [
                0.088882
                0.587102
                0.916026
            ]
            [
                0.338882
                0.837102
                0.333974
            ]
            [
                0.411118
                0.412898
                0.416026
            ]
            [
                0.661118
                0.662898
                0.833974
            ]
            [
                0.588882
                0.412898
                0.583974
            ]
            [
                0.911118
                0.087102
                0.583974
            ]
            [
                0.838882
                0.662898
                0.666026
            ]
            [
                0.161118
                0.337102
                0.666026
            ]
            [
                0.088882
                0.087102
                0.416026
            ]
            [
                0.338882
                0.337102
                0.833974
            ]
            [
                0.911118
                0.912898
                0.416026
            ]
            [
                0.161118
                0.162898
                0.833974
            ]
            [
                0.088882
                0.912898
                0.583974
            ]
            [
                0.411118
                0.587102
                0.583974
            ]
            [
                0.338882
                0.162898
                0.666026
            ]
            [
                0.661118
                0.837102
                0.666026
            ]
            [
                0.588882
                0.587102
                0.416026
            ]
            [
                0.838882
                0.837102
                0.833974
            ]
            [
                0.911118
                0.412898
                0.916026
            ]
            [
                0.161118
                0.662898
                0.333974
            ]
            [
                0.088882
                0.412898
                0.083974
            ]
            [
                0.411118
                0.087102
                0.083974
            ]
            [
                0.338882
                0.662898
                0.166026
            ]
            [
                0.661118
                0.337102
                0.166026
            ]
            [
                0.588882
                0.087102
                0.916026
            ]
            [
                0.838882
                0.337102
                0.333974
            ]
            [
                0.894264
                0.981854
                0.35796
            ]
            [
                0.073781
                0.926044
                0.935253
            ]
            [
                0.355378
                0.899998
                0.987153
            ]
            [
                0.605378
                0.149998
                0.262847
            ]
            [
                0.644622
                0.899998
                0.012847
            ]
            [
                0.731555
                0.102858
                0.350243
            ]
            [
                0.926219
                0.926044
                0.064747
            ]
            [
                0.926219
                0.073956
                0.935253
            ]
            [
                0.231555
                0.897142
                0.149757
            ]
            [
                0.855378
                0.600002
                0.012847
            ]
            [
                0.144264
                0.231854
                0.89204
            ]
            [
                0.073781
                0.073956
                0.064747
            ]
            [
                0.605736
                0.981854
                0.14204
            ]
            [
                0.894264
                0.518146
                0.14204
            ]
            [
                0.481555
                0.852858
                0.899757
            ]
            [
                0.768445
                0.102858
                0.149757
            ]
            [
                0.981555
                0.647142
                0.100243
            ]
            [
                0.268445
                0.897142
                0.350243
            ]
            [
                0.855736
                0.231854
                0.10796
            ]
            [
                0.144264
                0.768146
                0.10796
            ]
            [
                0.676219
                0.676044
                0.185253
            ]
            [
                0.605736
                0.518146
                0.35796
            ]
            [
                0.894622
                0.149998
                0.237153
            ]
            [
                0.518445
                0.852858
                0.100243
            ]
            [
                0.823781
                0.676044
                0.314747
            ]
            [
                0.823781
                0.823956
                0.185253
            ]
            [
                0.018445
                0.647142
                0.899757
            ]
            [
                0.105378
                0.850002
                0.237153
            ]
            [
                0.144622
                0.600002
                0.987153
            ]
            [
                0.394622
                0.850002
                0.262847
            ]
            [
                0.676219
                0.823956
                0.314747
            ]
            [
                0.855736
                0.768146
                0.89204
            ]
            [
                0.894264
                0.481854
                0.85796
            ]
            [
                0.073781
                0.426044
                0.435253
            ]
            [
                0.355378
                0.399998
                0.487153
            ]
            [
                0.605378
                0.649998
                0.762847
            ]
            [
                0.644622
                0.399998
                0.512847
            ]
            [
                0.731555
                0.602858
                0.850243
            ]
            [
                0.926219
                0.426044
                0.564747
            ]
            [
                0.926219
                0.573956
                0.435253
            ]
            [
                0.231555
                0.397142
                0.649757
            ]
            [
                0.855378
                0.100002
                0.512847
            ]
            [
                0.144264
                0.731854
                0.39204
            ]
            [
                0.073781
                0.573956
                0.564747
            ]
            [
                0.605736
                0.481854
                0.64204
            ]
            [
                0.894264
                0.018146
                0.64204
            ]
            [
                0.481555
                0.352858
                0.399757
            ]
            [
                0.768445
                0.602858
                0.649757
            ]
            [
                0.981555
                0.147142
                0.600243
            ]
            [
                0.268445
                0.397142
                0.850243
            ]
            [
                0.855736
                0.731854
                0.60796
            ]
            [
                0.144264
                0.268146
                0.60796
            ]
            [
                0.676219
                0.176044
                0.685253
            ]
            [
                0.605736
                0.018146
                0.85796
            ]
            [
                0.894622
                0.649998
                0.737153
            ]
            [
                0.518445
                0.352858
                0.600243
            ]
            [
                0.823781
                0.176044
                0.814747
            ]
            [
                0.823781
                0.323956
                0.685253
            ]
            [
                0.018445
                0.147142
                0.399757
            ]
            [
                0.105378
                0.350002
                0.737153
            ]
            [
                0.144622
                0.100002
                0.487153
            ]
            [
                0.394622
                0.350002
                0.762847
            ]
            [
                0.676219
                0.323956
                0.814747
            ]
            [
                0.855736
                0.268146
                0.39204
            ]
            [
                0.394264
                0.981854
                0.85796
            ]
            [
                0.573781
                0.926044
                0.435253
            ]
            [
                0.855378
                0.899998
                0.487153
            ]
            [
                0.105378
                0.149998
                0.762847
            ]
            [
                0.144622
                0.899998
                0.512847
            ]
            [
                0.231555
                0.102858
                0.850243
            ]
            [
                0.426219
                0.926044
                0.564747
            ]
            [
                0.426219
                0.073956
                0.435253
            ]
            [
                0.731555
                0.897142
                0.649757
            ]
            [
                0.355378
                0.600002
                0.512847
            ]
            [
                0.644264
                0.231854
                0.39204
            ]
            [
                0.573781
                0.073956
                0.564747
            ]
            [
                0.105736
                0.981854
                0.64204
            ]
            [
                0.394264
                0.518146
                0.64204
            ]
            [
                0.981555
                0.852858
                0.399757
            ]
            [
                0.268445
                0.102858
                0.649757
            ]
            [
                0.481555
                0.647142
                0.600243
            ]
            [
                0.768445
                0.897142
                0.850243
            ]
            [
                0.355736
                0.231854
                0.60796
            ]
            [
                0.644264
                0.768146
                0.60796
            ]
            [
                0.176219
                0.676044
                0.685253
            ]
            [
                0.105736
                0.518146
                0.85796
            ]
            [
                0.394622
                0.149998
                0.737153
            ]
            [
                0.018445
                0.852858
                0.600243
            ]
            [
                0.323781
                0.676044
                0.814747
            ]
            [
                0.323781
                0.823956
                0.685253
            ]
            [
                0.518445
                0.647142
                0.399757
            ]
            [
                0.605378
                0.850002
                0.737153
            ]
            [
                0.644622
                0.600002
                0.487153
            ]
            [
                0.894622
                0.850002
                0.762847
            ]
            [
                0.176219
                0.823956
                0.814747
            ]
            [
                0.355736
                0.768146
                0.39204
            ]
            [
                0.394264
                0.481854
                0.35796
            ]
            [
                0.573781
                0.426044
                0.935253
            ]
            [
                0.855378
                0.399998
                0.987153
            ]
            [
                0.105378
                0.649998
                0.262847
            ]
            [
                0.144622
                0.399998
                0.012847
            ]
            [
                0.231555
                0.602858
                0.350243
            ]
            [
                0.426219
                0.426044
                0.064747
            ]
            [
                0.426219
                0.573956
                0.935253
            ]
            [
                0.731555
                0.397142
                0.149757
            ]
            [
                0.355378
                0.100002
                0.012847
            ]
            [
                0.644264
                0.731854
                0.89204
            ]
            [
                0.573781
                0.573956
                0.064747
            ]
            [
                0.105736
                0.481854
                0.14204
            ]
            [
                0.394264
                0.018146
                0.14204
            ]
            [
                0.981555
                0.352858
                0.899757
            ]
            [
                0.268445
                0.602858
                0.149757
            ]
            [
                0.481555
                0.147142
                0.100243
            ]
            [
                0.768445
                0.397142
                0.350243
            ]
            [
                0.355736
                0.731854
                0.10796
            ]
            [
                0.644264
                0.268146
                0.10796
            ]
            [
                0.176219
                0.176044
                0.185253
            ]
            [
                0.105736
                0.018146
                0.35796
            ]
            [
                0.394622
                0.649998
                0.237153
            ]
            [
                0.018445
                0.352858
                0.100243
            ]
            [
                0.323781
                0.176044
                0.314747
            ]
            [
                0.323781
                0.323956
                0.185253
            ]
            [
                0.518445
                0.147142
                0.899757
            ]
            [
                0.605378
                0.350002
                0.237153
            ]
            [
                0.644622
                0.100002
                0.987153
            ]
            [
                0.894622
                0.350002
                0.262847
            ]
            [
                0.176219
                0.323956
                0.314747
            ]
            [
                0.355736
                0.268146
                0.89204
            ]
        ]
    }
    "species" {
        "source-value" [
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "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"
            "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"
            "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" 13.8275513
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 13.95572672
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 14.34473472
        "source-unit" "angstrom"
    }
}