{
    "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" [
            [
                0.426139
                0.510354
                0.663324
            ]
            [
                0.426139
                0.989646
                0.163324
            ]
            [
                0.573861
                0.489646
                0.336676
            ]
            [
                0.573861
                0.010354
                0.836676
            ]
            [
                0.347336
                0.695293
                0.612231
            ]
            [
                0.347336
                0.804707
                0.112231
            ]
            [
                0.652664
                0.304707
                0.387769
            ]
            [
                0.652664
                0.195293
                0.887769
            ]
            [
                0.136795
                0.735017
                0.649916
            ]
            [
                0.136795
                0.764983
                0.149916
            ]
            [
                0.863205
                0.264983
                0.350084
            ]
            [
                0.863205
                0.235017
                0.850084
            ]
            [
                0.567248
                0.795341
                0.858122
            ]
            [
                0.567248
                0.704659
                0.358122
            ]
            [
                0.432752
                0.204659
                0.141878
            ]
            [
                0.432752
                0.295341
                0.641878
            ]
            [
                0.198662
                0.786848
                0.453584
            ]
            [
                0.198662
                0.713152
                0.953584
            ]
            [
                0.801338
                0.213152
                0.546416
            ]
            [
                0.801338
                0.286848
                0.046416
            ]
            [
                0.544417
                0.809727
                0.601291
            ]
            [
                0.544417
                0.690273
                0.101291
            ]
            [
                0.455583
                0.190273
                0.398709
            ]
            [
                0.455583
                0.309727
                0.898709
            ]
            [
                0.243498
                0.844434
                0.59555
            ]
            [
                0.243498
                0.655566
                0.09555
            ]
            [
                0.756502
                0.155566
                0.40445
            ]
            [
                0.756502
                0.344434
                0.90445
            ]
            [
                0.510718
                0.706846
                0.878177
            ]
            [
                0.510718
                0.793154
                0.378177
            ]
            [
                0.489282
                0.293154
                0.121823
            ]
            [
                0.489282
                0.206846
                0.621823
            ]
            [
                0.753375
                0.730619
                0.824657
            ]
            [
                0.753375
                0.769381
                0.324657
            ]
            [
                0.246625
                0.269381
                0.175343
            ]
            [
                0.246625
                0.230619
                0.675343
            ]
            [
                0.555963
                0.743737
                0.816066
            ]
            [
                0.555963
                0.756263
                0.316066
            ]
            [
                0.444037
                0.256263
                0.183934
            ]
            [
                0.444037
                0.243737
                0.683934
            ]
            [
                0.32782
                0.799709
                0.57002
            ]
            [
                0.32782
                0.700291
                0.07002
            ]
            [
                0.67218
                0.200291
                0.42998
            ]
            [
                0.67218
                0.299709
                0.92998
            ]
            [
                0.932981
                0.395736
                0.670252
            ]
            [
                0.932981
                0.104264
                0.170252
            ]
            [
                0.067019
                0.604264
                0.329748
            ]
            [
                0.067019
                0.895736
                0.829748
            ]
            [
                0.915332
                0.598882
                0.676212
            ]
            [
                0.915332
                0.901118
                0.176212
            ]
            [
                0.084668
                0.401118
                0.323788
            ]
            [
                0.084668
                0.098882
                0.823788
            ]
            [
                0.329043
                0.740162
                0.658149
            ]
            [
                0.329043
                0.759838
                0.158149
            ]
            [
                0.670957
                0.259838
                0.341851
            ]
            [
                0.670957
                0.240162
                0.841851
            ]
            [
                0.976365
                0.323965
                0.713453
            ]
            [
                0.976365
                0.176035
                0.213453
            ]
            [
                0.023635
                0.676035
                0.286547
            ]
            [
                0.023635
                0.823965
                0.786547
            ]
            [
                0.767711
                0.43047
                0.726434
            ]
            [
                0.767711
                0.06953
                0.226434
            ]
            [
                0.232289
                0.56953
                0.273566
            ]
            [
                0.232289
                0.93047
                0.773566
            ]
            [
                0.207306
                0.432376
                0.729447
            ]
            [
                0.207306
                0.067624
                0.229447
            ]
            [
                0.792694
                0.567624
                0.270553
            ]
            [
                0.792694
                0.932376
                0.770553
            ]
            [
                0.774193
                0.401892
                0.505305
            ]
            [
                0.774193
                0.098108
                0.005305
            ]
            [
                0.225807
                0.598108
                0.494695
            ]
            [
                0.225807
                0.901892
                0.994695
            ]
            [
                0.788659
                0.589449
                0.768834
            ]
            [
                0.788659
                0.910551
                0.268834
            ]
            [
                0.211341
                0.410551
                0.231166
            ]
            [
                0.211341
                0.089449
                0.731166
            ]
            [
                0.220038
                0.581756
                0.762089
            ]
            [
                0.220038
                0.918244
                0.262089
            ]
            [
                0.779962
                0.418244
                0.237911
            ]
            [
                0.779962
                0.081756
                0.737911
            ]
            [
                0.770996
                0.54565
                0.554835
            ]
            [
                0.770996
                0.95435
                0.054835
            ]
            [
                0.229004
                0.45435
                0.445165
            ]
            [
                0.229004
                0.04565
                0.945165
            ]
            [
                0.864529
                0.668261
                0.617554
            ]
            [
                0.864529
                0.831739
                0.117554
            ]
            [
                0.135471
                0.331739
                0.382446
            ]
            [
                0.135471
                0.168261
                0.882446
            ]
            [
                0.876177
                0.500073
                0.982078
            ]
            [
                0.876177
                0.999927
                0.482078
            ]
            [
                0.123823
                0.499927
                0.017922
            ]
            [
                0.123823
                0.000073
                0.517922
            ]
        ]
    }
    "species" {
        "source-value" [
            "Y"
            "Y"
            "Y"
            "Y"
            "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"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "N"
            "N"
            "N"
            "N"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "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" 5.59063101
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 19.53054502
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 10.70427955
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 121.41306031
        "source-unit" "degree"
    }
}