{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "P2_1/c"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.706455
                0.03111
                0.707198
            ]
            [
                0.706455
                0.46889
                0.207198
            ]
            [
                0.293545
                0.96889
                0.292802
            ]
            [
                0.293545
                0.53111
                0.792802
            ]
            [
                0.567545
                0.969351
                0.749807
            ]
            [
                0.567545
                0.530649
                0.249807
            ]
            [
                0.432455
                0.030649
                0.250193
            ]
            [
                0.432455
                0.469351
                0.750193
            ]
            [
                0.457945
                0.037436
                0.645013
            ]
            [
                0.457945
                0.462564
                0.145013
            ]
            [
                0.542055
                0.962564
                0.354987
            ]
            [
                0.542055
                0.537436
                0.854987
            ]
            [
                0.260424
                0.128472
                0.696753
            ]
            [
                0.260424
                0.371528
                0.196753
            ]
            [
                0.739576
                0.871528
                0.303247
            ]
            [
                0.739576
                0.628472
                0.803247
            ]
            [
                0.378153
                0.08419
                0.809504
            ]
            [
                0.378153
                0.41581
                0.309504
            ]
            [
                0.621847
                0.91581
                0.190496
            ]
            [
                0.621847
                0.58419
                0.690496
            ]
            [
                0.332888
                0.229735
                0.785127
            ]
            [
                0.332888
                0.270265
                0.285127
            ]
            [
                0.667112
                0.770265
                0.214873
            ]
            [
                0.667112
                0.729735
                0.714873
            ]
            [
                0.488602
                0.099733
                0.968591
            ]
            [
                0.488602
                0.400267
                0.468591
            ]
            [
                0.511398
                0.900267
                0.031409
            ]
            [
                0.511398
                0.599733
                0.531409
            ]
            [
                0.715344
                0.093192
                0.060974
            ]
            [
                0.715344
                0.406808
                0.560974
            ]
            [
                0.284656
                0.906808
                0.939026
            ]
            [
                0.284656
                0.593192
                0.439026
            ]
            [
                0.549846
                0.191478
                0.061076
            ]
            [
                0.549846
                0.308522
                0.561076
            ]
            [
                0.450154
                0.808522
                0.938924
            ]
            [
                0.450154
                0.691478
                0.438924
            ]
            [
                0.753461
                0.356386
                0.098515
            ]
            [
                0.753461
                0.143614
                0.598515
            ]
            [
                0.246539
                0.643614
                0.901485
            ]
            [
                0.246539
                0.856386
                0.401485
            ]
            [
                0.939808
                0.267786
                0.110332
            ]
            [
                0.939808
                0.232214
                0.610332
            ]
            [
                0.060192
                0.732214
                0.889668
            ]
            [
                0.060192
                0.767786
                0.389668
            ]
            [
                0.89153
                0.393827
                0.047048
            ]
            [
                0.89153
                0.106173
                0.547048
            ]
            [
                0.10847
                0.606173
                0.952952
            ]
            [
                0.10847
                0.893827
                0.452952
            ]
            [
                0.190885
                0.352235
                0.03202
            ]
            [
                0.190885
                0.147765
                0.53202
            ]
            [
                0.809115
                0.647765
                0.96798
            ]
            [
                0.809115
                0.852235
                0.46798
            ]
            [
                0.24908
                0.276637
                0.958673
            ]
            [
                0.24908
                0.223363
                0.458673
            ]
            [
                0.75092
                0.723363
                0.041327
            ]
            [
                0.75092
                0.776637
                0.541327
            ]
            [
                0.233591
                0.425593
                0.952635
            ]
            [
                0.233591
                0.074407
                0.452635
            ]
            [
                0.766409
                0.574407
                0.047365
            ]
            [
                0.766409
                0.925593
                0.547365
            ]
            [
                0.025672
                0.432829
                0.791136
            ]
            [
                0.025672
                0.067171
                0.291136
            ]
            [
                0.974328
                0.567171
                0.208864
            ]
            [
                0.974328
                0.932829
                0.708864
            ]
            [
                0.036487
                0.283011
                0.783988
            ]
            [
                0.036487
                0.216989
                0.283988
            ]
            [
                0.963513
                0.716989
                0.216012
            ]
            [
                0.963513
                0.783011
                0.716012
            ]
            [
                0.817863
                0.352815
                0.732581
            ]
            [
                0.817863
                0.147185
                0.232581
            ]
            [
                0.182137
                0.647185
                0.267419
            ]
            [
                0.182137
                0.852815
                0.767419
            ]
            [
                0.829638
                0.170951
                0.902346
            ]
            [
                0.829638
                0.329049
                0.402346
            ]
            [
                0.170362
                0.829049
                0.097654
            ]
            [
                0.170362
                0.670951
                0.597654
            ]
            [
                0.578048
                0.037536
                0.710432
            ]
            [
                0.578048
                0.462464
                0.210432
            ]
            [
                0.421952
                0.962464
                0.289568
            ]
            [
                0.421952
                0.537536
                0.789568
            ]
            [
                0.364165
                0.150952
                0.763577
            ]
            [
                0.364165
                0.349048
                0.263577
            ]
            [
                0.635835
                0.849048
                0.236423
            ]
            [
                0.635835
                0.650952
                0.736423
            ]
            [
                0.5993
                0.147827
                0.020675
            ]
            [
                0.5993
                0.352173
                0.520675
            ]
            [
                0.4007
                0.852173
                0.979325
            ]
            [
                0.4007
                0.647827
                0.479325
            ]
            [
                0.832292
                0.325327
                0.066998
            ]
            [
                0.832292
                0.174673
                0.566998
            ]
            [
                0.167708
                0.674673
                0.933002
            ]
            [
                0.167708
                0.825327
                0.433002
            ]
            [
                0.179145
                0.349587
                0.966196
            ]
            [
                0.179145
                0.150413
                0.466196
            ]
            [
                0.820855
                0.650413
                0.033804
            ]
            [
                0.820855
                0.849587
                0.533804
            ]
            [
                0.957524
                0.353739
                0.7879
            ]
            [
                0.957524
                0.146261
                0.2879
            ]
            [
                0.042476
                0.646261
                0.2121
            ]
            [
                0.042476
                0.853739
                0.7121
            ]
            [
                0.579897
                0.167368
                0.762727
            ]
            [
                0.579897
                0.332632
                0.262727
            ]
            [
                0.420103
                0.832632
                0.237273
            ]
            [
                0.420103
                0.667368
                0.737273
            ]
            [
                0.93917
                0.340616
                0.887347
            ]
            [
                0.93917
                0.159384
                0.387347
            ]
            [
                0.06083
                0.659384
                0.112653
            ]
            [
                0.06083
                0.840616
                0.612653
            ]
            [
                0.674748
                0.250958
                0.968918
            ]
            [
                0.674748
                0.249042
                0.468918
            ]
            [
                0.325252
                0.749042
                0.031082
            ]
            [
                0.325252
                0.750958
                0.531082
            ]
            [
                0.059934
                0.150067
                0.033159
            ]
            [
                0.059934
                0.349933
                0.533159
            ]
            [
                0.940066
                0.849933
                0.966841
            ]
            [
                0.940066
                0.650067
                0.466841
            ]
            [
                0.155064
                0.070053
                0.054781
            ]
            [
                0.155064
                0.429947
                0.554781
            ]
            [
                0.844936
                0.929947
                0.945219
            ]
            [
                0.844936
                0.570053
                0.445219
            ]
            [
                0.255906
                0.992969
                0.078783
            ]
            [
                0.255906
                0.507031
                0.578783
            ]
            [
                0.744094
                0.007031
                0.921217
            ]
            [
                0.744094
                0.492969
                0.421217
            ]
            [
                0.023979
                0.0818
                0.848379
            ]
            [
                0.023979
                0.4182
                0.348379
            ]
            [
                0.976021
                0.9182
                0.151621
            ]
            [
                0.976021
                0.5818
                0.651621
            ]
            [
                0.55491
                0.258028
                0.69913
            ]
            [
                0.55491
                0.241972
                0.19913
            ]
            [
                0.44509
                0.741972
                0.30087
            ]
            [
                0.44509
                0.758028
                0.80087
            ]
            [
                0.516581
                0.325923
                0.917505
            ]
            [
                0.516581
                0.174077
                0.417505
            ]
            [
                0.483419
                0.674077
                0.082495
            ]
            [
                0.483419
                0.825923
                0.582495
            ]
            [
                0.849509
                0.443694
                0.895847
            ]
            [
                0.849509
                0.056306
                0.395847
            ]
            [
                0.150491
                0.556306
                0.104153
            ]
            [
                0.150491
                0.943694
                0.604153
            ]
        ]
    }
    "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"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "Ru"
            "Ru"
            "Ru"
            "Ru"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "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" 8.28275497
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 12.04808358
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 17.2646279
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 118.40886864
        "source-unit" "degree"
    }
}