{
    "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" [
            [
                0.963275
                0.708763
                0.1002
            ]
            [
                0.333865
                0.407841
                0.374016
            ]
            [
                0.720826
                0.710442
                0.652643
            ]
            [
                0.582712
                0.696012
                0.860477
            ]
            [
                0.665762
                0.386613
                0.193636
            ]
            [
                0.115872
                0.950785
                0.581594
            ]
            [
                0.89939
                0.997763
                0.309495
            ]
            [
                0.50817
                0.136738
                0.296707
            ]
            [
                0.803501
                0.616048
                0.247266
            ]
            [
                0.633162
                0.073931
                0.906286
            ]
            [
                0.615872
                0.950785
                0.918406
            ]
            [
                0.60061
                0.497763
                0.309495
            ]
            [
                0.220826
                0.789558
                0.347357
            ]
            [
                0.680386
                0.330997
                0.856571
            ]
            [
                0.303501
                0.616048
                0.252734
            ]
            [
                0.819614
                0.830997
                0.856571
            ]
            [
                0.463275
                0.708763
                0.3998
            ]
            [
                0.99183
                0.863262
                0.796707
            ]
            [
                0.384128
                0.049215
                0.081594
            ]
            [
                0.536725
                0.291237
                0.6002
            ]
            [
                0.866838
                0.573931
                0.906286
            ]
            [
                0.779174
                0.289558
                0.152643
            ]
            [
                0.833865
                0.407841
                0.125984
            ]
            [
                0.082712
                0.803988
                0.139523
            ]
            [
                0.884128
                0.450785
                0.918406
            ]
            [
                0.633162
                0.426069
                0.406286
            ]
            [
                0.866838
                0.926069
                0.406286
            ]
            [
                0.220826
                0.710442
                0.847357
            ]
            [
                0.917288
                0.303988
                0.360477
            ]
            [
                0.166135
                0.907841
                0.374016
            ]
            [
                0.133162
                0.426069
                0.093714
            ]
            [
                0.389488
                0.241013
                0.528937
            ]
            [
                0.803501
                0.883952
                0.747266
            ]
            [
                0.917288
                0.196012
                0.860477
            ]
            [
                0.384128
                0.450785
                0.581594
            ]
            [
                0.10061
                0.497763
                0.190505
            ]
            [
                0.666135
                0.592159
                0.625984
            ]
            [
                0.720826
                0.789558
                0.152643
            ]
            [
                0.463275
                0.791237
                0.8998
            ]
            [
                0.417288
                0.196012
                0.639523
            ]
            [
                0.366838
                0.573931
                0.593714
            ]
            [
                0.99183
                0.636738
                0.296707
            ]
            [
                0.303501
                0.883952
                0.752734
            ]
            [
                0.319614
                0.830997
                0.643429
            ]
            [
                0.49183
                0.636738
                0.203293
            ]
            [
                0.89939
                0.502237
                0.809495
            ]
            [
                0.417288
                0.303988
                0.139523
            ]
            [
                0.279174
                0.289558
                0.347357
            ]
            [
                0.334238
                0.613387
                0.806364
            ]
            [
                0.00817
                0.363262
                0.703293
            ]
            [
                0.389488
                0.258987
                0.028937
            ]
            [
                0.333865
                0.092159
                0.874016
            ]
            [
                0.60061
                0.002237
                0.809495
            ]
            [
                0.39939
                0.997763
                0.190505
            ]
            [
                0.884128
                0.049215
                0.418406
            ]
            [
                0.779174
                0.210442
                0.652643
            ]
            [
                0.166135
                0.592159
                0.874016
            ]
            [
                0.49183
                0.863262
                0.703293
            ]
            [
                0.39939
                0.502237
                0.690505
            ]
            [
                0.665762
                0.113387
                0.693636
            ]
            [
                0.196499
                0.116048
                0.252734
            ]
            [
                0.610512
                0.741013
                0.971063
            ]
            [
                0.680386
                0.169003
                0.356571
            ]
            [
                0.819614
                0.669003
                0.356571
            ]
            [
                0.082712
                0.696012
                0.639523
            ]
            [
                0.666135
                0.907841
                0.125984
            ]
            [
                0.334238
                0.886613
                0.306364
            ]
            [
                0.889488
                0.241013
                0.971063
            ]
            [
                0.963275
                0.791237
                0.6002
            ]
            [
                0.036725
                0.291237
                0.8998
            ]
            [
                0.366838
                0.926069
                0.093714
            ]
            [
                0.110512
                0.741013
                0.528937
            ]
            [
                0.00817
                0.136738
                0.203293
            ]
            [
                0.165762
                0.386613
                0.306364
            ]
            [
                0.536725
                0.208763
                0.1002
            ]
            [
                0.834238
                0.886613
                0.193636
            ]
            [
                0.165762
                0.113387
                0.806364
            ]
            [
                0.196499
                0.383952
                0.752734
            ]
            [
                0.279174
                0.210442
                0.847357
            ]
            [
                0.615872
                0.549215
                0.418406
            ]
            [
                0.110512
                0.758987
                0.028937
            ]
            [
                0.50817
                0.363262
                0.796707
            ]
            [
                0.610512
                0.758987
                0.471063
            ]
            [
                0.696499
                0.116048
                0.247266
            ]
            [
                0.582712
                0.803988
                0.360477
            ]
            [
                0.834238
                0.613387
                0.693636
            ]
            [
                0.036725
                0.208763
                0.3998
            ]
            [
                0.180386
                0.169003
                0.143429
            ]
            [
                0.833865
                0.092159
                0.625984
            ]
            [
                0.115872
                0.549215
                0.081594
            ]
            [
                0.180386
                0.330997
                0.643429
            ]
            [
                0.889488
                0.258987
                0.471063
            ]
            [
                0.696499
                0.383952
                0.747266
            ]
            [
                0.10061
                0.002237
                0.690505
            ]
            [
                0.319614
                0.669003
                0.143429
            ]
            [
                0.133162
                0.073931
                0.593714
            ]
            [
                0
                0.5
                0.5
            ]
            [
                0.5
                0.5
                0
            ]
            [
                0
                0
                0
            ]
            [
                0.5
                0
                0.5
            ]
            [
                0.763413
                0.6398
                0.638209
            ]
            [
                0.736587
                0.3602
                0.138209
            ]
            [
                0.024522
                0.772892
                0.081629
            ]
            [
                0.629854
                0.381565
                0.809928
            ]
            [
                0.657971
                0.493405
                0.374847
            ]
            [
                0.975478
                0.227108
                0.918371
            ]
            [
                0.870146
                0.881565
                0.809928
            ]
            [
                0.736587
                0.1398
                0.638209
            ]
            [
                0.524522
                0.727108
                0.918371
            ]
            [
                0.524522
                0.772892
                0.418371
            ]
            [
                0.236587
                0.1398
                0.861791
            ]
            [
                0.475478
                0.272892
                0.081629
            ]
            [
                0.842029
                0.993405
                0.374847
            ]
            [
                0.370146
                0.618435
                0.190072
            ]
            [
                0.370146
                0.881565
                0.690072
            ]
            [
                0.129854
                0.118435
                0.190072
            ]
            [
                0.236587
                0.3602
                0.361791
            ]
            [
                0.157971
                0.006595
                0.625153
            ]
            [
                0.263413
                0.6398
                0.861791
            ]
            [
                0.475478
                0.227108
                0.581629
            ]
            [
                0.629854
                0.118435
                0.309928
            ]
            [
                0.024522
                0.727108
                0.581629
            ]
            [
                0.263413
                0.8602
                0.361791
            ]
            [
                0.342029
                0.506595
                0.625153
            ]
            [
                0.975478
                0.272892
                0.418371
            ]
            [
                0.657971
                0.006595
                0.874847
            ]
            [
                0.763413
                0.8602
                0.138209
            ]
            [
                0.842029
                0.506595
                0.874847
            ]
            [
                0.157971
                0.493405
                0.125153
            ]
            [
                0.129854
                0.381565
                0.690072
            ]
            [
                0.870146
                0.618435
                0.309928
            ]
            [
                0.342029
                0.993405
                0.125153
            ]
            [
                0.867485
                0.503267
                0.360426
            ]
            [
                0.132515
                0.003267
                0.139574
            ]
            [
                0.367485
                0.996733
                0.639574
            ]
            [
                0.132515
                0.496733
                0.639574
            ]
            [
                0.117523
                0.354769
                0.46141
            ]
            [
                0.367485
                0.503267
                0.139574
            ]
            [
                0.382477
                0.854769
                0.46141
            ]
            [
                0.117523
                0.145231
                0.96141
            ]
            [
                0.382477
                0.645231
                0.96141
            ]
            [
                0.632515
                0.496733
                0.860426
            ]
            [
                0.617523
                0.354769
                0.03859
            ]
            [
                0.882477
                0.645231
                0.53859
            ]
            [
                0.867485
                0.996733
                0.860426
            ]
            [
                0.632515
                0.003267
                0.360426
            ]
            [
                0.617523
                0.145231
                0.53859
            ]
            [
                0.882477
                0.854769
                0.03859
            ]
            [
                0.288009
                0.085503
                0.427064
            ]
            [
                0.288009
                0.414497
                0.927064
            ]
            [
                0.211991
                0.585503
                0.427064
            ]
            [
                0.211991
                0.914497
                0.927064
            ]
            [
                0.788009
                0.414497
                0.572936
            ]
            [
                0.711991
                0.914497
                0.572936
            ]
            [
                0.788009
                0.085503
                0.072936
            ]
            [
                0.711991
                0.585503
                0.072936
            ]
        ]
    }
    "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"
            "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"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "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" 8.56896775
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 14.32864377
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 15.01950329
        "source-unit" "angstrom"
    }
}