{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "P2_12_12_1"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.265567
                0.790462
                0.208033
            ]
            [
                0.734433
                0.290462
                0.291967
            ]
            [
                0.765567
                0.709538
                0.791967
            ]
            [
                0.234433
                0.209538
                0.708033
            ]
            [
                0.424471
                0.93216
                0.335425
            ]
            [
                0.924471
                0.56784
                0.664575
            ]
            [
                0.480455
                0.22171
                0.722149
            ]
            [
                0.885269
                0.138196
                0.419427
            ]
            [
                0.575529
                0.43216
                0.164575
            ]
            [
                0.614731
                0.861804
                0.919427
            ]
            [
                0.075529
                0.06784
                0.835425
            ]
            [
                0.980455
                0.27829
                0.277851
            ]
            [
                0.833407
                0.771026
                0.597267
            ]
            [
                0.114731
                0.638196
                0.080573
            ]
            [
                0.333407
                0.728974
                0.402733
            ]
            [
                0.666593
                0.228974
                0.097267
            ]
            [
                0.519545
                0.72171
                0.777851
            ]
            [
                0.166593
                0.271026
                0.902733
            ]
            [
                0.385269
                0.361804
                0.580573
            ]
            [
                0.019545
                0.77829
                0.222149
            ]
            [
                0.37314
                0.27394
                0.667488
            ]
            [
                0.12686
                0.72606
                0.167488
            ]
            [
                0.62686
                0.77394
                0.832512
            ]
            [
                0.656431
                0.32427
                0.177138
            ]
            [
                0.343569
                0.82427
                0.322862
            ]
            [
                0.843569
                0.67573
                0.677138
            ]
            [
                0.87314
                0.22606
                0.332512
            ]
            [
                0.156431
                0.17573
                0.822862
            ]
            [
                0.909056
                0.372667
                0.182832
            ]
            [
                0.239729
                0.224276
                0.017723
            ]
            [
                0.526295
                0.157131
                0.067524
            ]
            [
                0.426171
                0.826497
                0.712252
            ]
            [
                0.498638
                0.931078
                0.457551
            ]
            [
                0.573437
                0.127781
                0.644837
            ]
            [
                0.959944
                0.065849
                0.739181
            ]
            [
                0.732369
                0.436816
                0.367496
            ]
            [
                0.267631
                0.936816
                0.132504
            ]
            [
                0.459944
                0.434151
                0.260819
            ]
            [
                0.590944
                0.627333
                0.682832
            ]
            [
                0.501362
                0.431078
                0.042449
            ]
            [
                0.183867
                0.499001
                0.112163
            ]
            [
                0.883073
                0.804353
                0.862757
            ]
            [
                0.681383
                0.806875
                0.034629
            ]
            [
                0.260271
                0.775724
                0.517723
            ]
            [
                0.540056
                0.934151
                0.239181
            ]
            [
                0.339231
                0.067584
                0.329478
            ]
            [
                0.409056
                0.127333
                0.817168
            ]
            [
                0.090944
                0.872667
                0.317168
            ]
            [
                0.573829
                0.326497
                0.787748
            ]
            [
                0.926563
                0.872219
                0.144837
            ]
            [
                0.839231
                0.432416
                0.670522
            ]
            [
                0.457368
                0.889583
                0.946886
            ]
            [
                0.042632
                0.110417
                0.446886
            ]
            [
                0.818617
                0.193125
                0.534629
            ]
            [
                0.616927
                0.195647
                0.362757
            ]
            [
                0.236322
                0.618679
                0.343238
            ]
            [
                0.998638
                0.568922
                0.542449
            ]
            [
                0.232369
                0.063184
                0.632504
            ]
            [
                0.040056
                0.565849
                0.760819
            ]
            [
                0.181382
                0.693125
                0.965371
            ]
            [
                0.760271
                0.724276
                0.482277
            ]
            [
                0.473705
                0.657131
                0.432476
            ]
            [
                0.763678
                0.118679
                0.156762
            ]
            [
                0.542632
                0.389583
                0.553114
            ]
            [
                0.026295
                0.342869
                0.932476
            ]
            [
                0.736322
                0.881321
                0.656762
            ]
            [
                0.383073
                0.695647
                0.137243
            ]
            [
                0.683867
                0.000999
                0.887837
            ]
            [
                0.116927
                0.304353
                0.637243
            ]
            [
                0.318618
                0.306875
                0.465371
            ]
            [
                0.426563
                0.627781
                0.855163
            ]
            [
                0.957368
                0.610417
                0.053114
            ]
            [
                0.973705
                0.842869
                0.567524
            ]
            [
                0.767631
                0.563184
                0.867496
            ]
            [
                0.073829
                0.173503
                0.212252
            ]
            [
                0.263678
                0.381321
                0.843238
            ]
            [
                0.316133
                0.500999
                0.612163
            ]
            [
                0.926171
                0.673503
                0.287748
            ]
            [
                0.660769
                0.567584
                0.170522
            ]
            [
                0.160769
                0.932416
                0.829478
            ]
            [
                0.816133
                0.999001
                0.387837
            ]
            [
                0.739729
                0.275724
                0.982277
            ]
            [
                0.001362
                0.068922
                0.957551
            ]
            [
                0.073437
                0.372219
                0.355163
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "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" 12.56449364
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 12.87873705
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 14.97232329
        "source-unit" "angstrom"
    }
}