{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "Pbca"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0
                0.5
                0.5
            ]
            [
                0.5
                0
                0.5
            ]
            [
                0.5
                0.5
                0
            ]
            [
                0
                0
                0
            ]
            [
                0.590756
                0.730954
                0.671909
            ]
            [
                0.909244
                0.230954
                0.328091
            ]
            [
                0.090756
                0.269046
                0.828091
            ]
            [
                0.409244
                0.769046
                0.171909
            ]
            [
                0.409244
                0.269046
                0.328091
            ]
            [
                0.090756
                0.769046
                0.671909
            ]
            [
                0.909244
                0.730954
                0.171909
            ]
            [
                0.590756
                0.230954
                0.828091
            ]
            [
                0.742626
                0.606374
                0.651185
            ]
            [
                0.757374
                0.106374
                0.348815
            ]
            [
                0.242626
                0.393626
                0.848815
            ]
            [
                0.257374
                0.893626
                0.151185
            ]
            [
                0.257374
                0.393626
                0.348815
            ]
            [
                0.242626
                0.893626
                0.651185
            ]
            [
                0.757374
                0.606374
                0.151185
            ]
            [
                0.742626
                0.106374
                0.848815
            ]
            [
                0.661947
                0.367642
                0.599957
            ]
            [
                0.838053
                0.867642
                0.400043
            ]
            [
                0.161947
                0.632358
                0.900043
            ]
            [
                0.338053
                0.132358
                0.099957
            ]
            [
                0.338053
                0.632358
                0.400043
            ]
            [
                0.161947
                0.132358
                0.599957
            ]
            [
                0.838053
                0.367642
                0.099957
            ]
            [
                0.661947
                0.867642
                0.900043
            ]
            [
                0.460567
                0.31851
                0.605112
            ]
            [
                0.039433
                0.81851
                0.394888
            ]
            [
                0.960567
                0.68149
                0.894888
            ]
            [
                0.539433
                0.18149
                0.105112
            ]
            [
                0.539433
                0.68149
                0.394888
            ]
            [
                0.960567
                0.18149
                0.605112
            ]
            [
                0.039433
                0.31851
                0.105112
            ]
            [
                0.460567
                0.81851
                0.894888
            ]
            [
                0.282565
                0.507868
                0.623734
            ]
            [
                0.217435
                0.007868
                0.376266
            ]
            [
                0.782565
                0.492132
                0.876266
            ]
            [
                0.717435
                0.992132
                0.123734
            ]
            [
                0.717435
                0.492132
                0.376266
            ]
            [
                0.782565
                0.992132
                0.623734
            ]
            [
                0.217435
                0.507868
                0.123734
            ]
            [
                0.282565
                0.007868
                0.876266
            ]
            [
                0.511669
                0.529157
                0.647912
            ]
            [
                0.988331
                0.029157
                0.352088
            ]
            [
                0.011669
                0.470843
                0.852088
            ]
            [
                0.488331
                0.970843
                0.147912
            ]
            [
                0.488331
                0.470843
                0.352088
            ]
            [
                0.011669
                0.970843
                0.647912
            ]
            [
                0.988331
                0.529157
                0.147912
            ]
            [
                0.511669
                0.029157
                0.852088
            ]
            [
                0.624901
                0.626081
                0.668413
            ]
            [
                0.875099
                0.126081
                0.331587
            ]
            [
                0.124901
                0.373919
                0.831587
            ]
            [
                0.375099
                0.873919
                0.168413
            ]
            [
                0.375099
                0.373919
                0.331587
            ]
            [
                0.124901
                0.873919
                0.668413
            ]
            [
                0.875099
                0.626081
                0.168413
            ]
            [
                0.624901
                0.126081
                0.831587
            ]
            [
                0.546176
                0.395579
                0.617618
            ]
            [
                0.953824
                0.895579
                0.382382
            ]
            [
                0.046176
                0.604421
                0.882382
            ]
            [
                0.453824
                0.104421
                0.117618
            ]
            [
                0.453824
                0.604421
                0.382382
            ]
            [
                0.046176
                0.104421
                0.617618
            ]
            [
                0.953824
                0.395579
                0.117618
            ]
            [
                0.546176
                0.895579
                0.882382
            ]
            [
                0.362334
                0.572736
                0.661784
            ]
            [
                0.137666
                0.072736
                0.338216
            ]
            [
                0.862334
                0.427264
                0.838216
            ]
            [
                0.637666
                0.927264
                0.161784
            ]
            [
                0.637666
                0.427264
                0.338216
            ]
            [
                0.862334
                0.927264
                0.661784
            ]
            [
                0.137666
                0.572736
                0.161784
            ]
            [
                0.362334
                0.072736
                0.838216
            ]
            [
                0.971559
                0.591634
                0.619756
            ]
            [
                0.528441
                0.091634
                0.380244
            ]
            [
                0.471559
                0.408366
                0.880244
            ]
            [
                0.028441
                0.908366
                0.119756
            ]
            [
                0.028441
                0.408366
                0.380244
            ]
            [
                0.471559
                0.908366
                0.619756
            ]
            [
                0.528441
                0.591634
                0.119756
            ]
            [
                0.971559
                0.091634
                0.880244
            ]
            [
                0.121016
                0.635472
                0.452403
            ]
            [
                0.378984
                0.135472
                0.547597
            ]
            [
                0.621016
                0.364528
                0.047597
            ]
            [
                0.878984
                0.864528
                0.952403
            ]
            [
                0.878984
                0.364528
                0.547597
            ]
            [
                0.621016
                0.864528
                0.452403
            ]
            [
                0.378984
                0.635472
                0.952403
            ]
            [
                0.121016
                0.135472
                0.047597
            ]
            [
                0.165912
                0.415476
                0.555936
            ]
            [
                0.334088
                0.915476
                0.444064
            ]
            [
                0.665912
                0.584524
                0.944064
            ]
            [
                0.834088
                0.084524
                0.055936
            ]
            [
                0.834088
                0.584524
                0.444064
            ]
            [
                0.665912
                0.084524
                0.555936
            ]
            [
                0.334088
                0.415476
                0.055936
            ]
            [
                0.165912
                0.915476
                0.944064
            ]
        ]
    }
    "species" {
        "source-value" [
            "Si"
            "Si"
            "Si"
            "Si"
            "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"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 8.33893582
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 9.29693206
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 12.26573772
        "source-unit" "angstrom"
    }
}