{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "P22_12_1"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.263606
                0.376881
                0.978578
            ]
            [
                0.263606
                0.623119
                0.021422
            ]
            [
                0.736394
                0.876881
                0.521422
            ]
            [
                0.736394
                0.123119
                0.478578
            ]
            [
                0.269021
                0.484538
                0.874253
            ]
            [
                0.269021
                0.515462
                0.125747
            ]
            [
                0.730979
                0.984538
                0.625747
            ]
            [
                0.730979
                0.015462
                0.374253
            ]
            [
                0.479026
                0.377043
                0.874752
            ]
            [
                0.479026
                0.622957
                0.125248
            ]
            [
                0.520974
                0.877043
                0.625248
            ]
            [
                0.520974
                0.122957
                0.374752
            ]
            [
                0.552341
                0.371929
                0.120335
            ]
            [
                0.552341
                0.628071
                0.879665
            ]
            [
                0.447659
                0.871929
                0.379665
            ]
            [
                0.447659
                0.128071
                0.620335
            ]
            [
                0.765139
                0.375172
                0.015331
            ]
            [
                0.536673
                0.887629
                0.865137
            ]
            [
                0.234861
                0.875172
                0.484669
            ]
            [
                0.234861
                0.124828
                0.515331
            ]
            [
                0.763111
                0.478797
                0.123923
            ]
            [
                0.763111
                0.521203
                0.876077
            ]
            [
                0.765139
                0.624828
                0.984669
            ]
            [
                0.236889
                0.021203
                0.623923
            ]
            [
                0.244066
                0.382813
                0.533187
            ]
            [
                0.244066
                0.617187
                0.466813
            ]
            [
                0.244932
                0.123754
                0.997056
            ]
            [
                0.244932
                0.876246
                0.002944
            ]
            [
                0.755068
                0.623754
                0.502944
            ]
            [
                0.755068
                0.376246
                0.497056
            ]
            [
                0.254803
                0.034206
                0.877174
            ]
            [
                0.254803
                0.965794
                0.122826
            ]
            [
                0.745197
                0.534206
                0.622826
            ]
            [
                0.745197
                0.465794
                0.377174
            ]
            [
                0.462116
                0.141279
                0.895425
            ]
            [
                0.462116
                0.858721
                0.104575
            ]
            [
                0.537884
                0.641279
                0.604575
            ]
            [
                0.537884
                0.358721
                0.395425
            ]
            [
                0.755934
                0.882813
                0.966813
            ]
            [
                0.755934
                0.117187
                0.033187
            ]
            [
                0.463327
                0.387629
                0.634863
            ]
            [
                0.463327
                0.612371
                0.365137
            ]
            [
                0.740434
                0.001951
                0.128721
            ]
            [
                0.740434
                0.998049
                0.871279
            ]
            [
                0.259566
                0.501951
                0.371279
            ]
            [
                0.259566
                0.498049
                0.628721
            ]
            [
                0.536673
                0.112371
                0.134863
            ]
            [
                0.236889
                0.978797
                0.376077
            ]
            [
                0.355967
                0.437346
                0.580397
            ]
            [
                0.355967
                0.562654
                0.419603
            ]
            [
                0.644033
                0.937346
                0.919603
            ]
            [
                0.644033
                0.062654
                0.080397
            ]
            [
                0.646007
                0.418972
                0.437653
            ]
            [
                0.646007
                0.581028
                0.562347
            ]
            [
                0.629503
                0.070763
                0.426276
            ]
            [
                0.629503
                0.929237
                0.573724
            ]
            [
                0.339762
                0.074156
                0.570243
            ]
            [
                0.339762
                0.925844
                0.429757
            ]
            [
                0.370497
                0.429237
                0.926276
            ]
            [
                0.660238
                0.425844
                0.070243
            ]
            [
                0.353993
                0.918972
                0.062347
            ]
            [
                0.353993
                0.081028
                0.937653
            ]
            [
                0.370497
                0.570763
                0.073724
            ]
            [
                0.660238
                0.574156
                0.929757
            ]
            [
                0.498918
                0
                0
            ]
            [
                0.501082
                0.5
                0.5
            ]
            [
                0.5151
                0.5
                0
            ]
            [
                0.4849
                0
                0.5
            ]
            [
                0.923533
                0.26091
                0.755543
            ]
            [
                0.923533
                0.73909
                0.244457
            ]
            [
                0.076467
                0.76091
                0.744457
            ]
            [
                0.076467
                0.23909
                0.255543
            ]
            [
                0.839438
                0.776806
                0.136376
            ]
            [
                0.825082
                0.807568
                0.332516
            ]
            [
                0.174918
                0.692432
                0.832516
            ]
            [
                0.174918
                0.307568
                0.167484
            ]
            [
                0.160562
                0.276806
                0.363624
            ]
            [
                0.160562
                0.723194
                0.636376
            ]
            [
                0.833519
                0.249107
                0.252886
            ]
            [
                0.839438
                0.223194
                0.863624
            ]
            [
                0.85945
                0.378189
                0.738812
            ]
            [
                0.85945
                0.621811
                0.261188
            ]
            [
                0.14055
                0.878189
                0.761188
            ]
            [
                0.14055
                0.121811
                0.238812
            ]
            [
                0.166481
                0.250893
                0.752886
            ]
            [
                0.166481
                0.749107
                0.247114
            ]
            [
                0.833519
                0.750893
                0.747114
            ]
            [
                0.825082
                0.192432
                0.667484
            ]
        ]
    }
    "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"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "N"
            "N"
            "N"
            "N"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "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" 5.98145558
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 11.96665626
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 12.05840283
        "source-unit" "angstrom"
    }
}