{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "Pb2_1a"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.453995
                0.253764
                0.782867
            ]
            [
                0.046005
                0.753764
                0.782867
            ]
            [
                0.073799
                0.245463
                0.718241
            ]
            [
                0.573799
                0.245463
                0.281759
            ]
            [
                0.926201
                0.745463
                0.281759
            ]
            [
                0.953995
                0.253764
                0.217133
            ]
            [
                0.426201
                0.745463
                0.718241
            ]
            [
                0.546005
                0.753764
                0.217133
            ]
            [
                0.911486
                0.116968
                0.526636
            ]
            [
                0.144253
                0.049566
                0.340076
            ]
            [
                0.626136
                0.485359
                0.261474
            ]
            [
                0.278894
                0.370799
                0.146716
            ]
            [
                0.379643
                0.120364
                0.069243
            ]
            [
                0.386399
                0.515597
                0.936349
            ]
            [
                0.785406
                0.388283
                0.444746
            ]
            [
                0.6279
                0.476276
                0.064164
            ]
            [
                0.891983
                0.621142
                0.973865
            ]
            [
                0.237728
                0.615589
                0.157634
            ]
            [
                0.625111
                0.368944
                0.555867
            ]
            [
                0.395568
                0.475691
                0.149614
            ]
            [
                0.897293
                0.009822
                0.438368
            ]
            [
                0.113601
                0.015597
                0.936349
            ]
            [
                0.61423
                0.382621
                0.964702
            ]
            [
                0.221106
                0.870799
                0.146716
            ]
            [
                0.3721
                0.976276
                0.935836
            ]
            [
                0.09771
                0.47252
                0.35543
            ]
            [
                0.608249
                0.875503
                0.944882
            ]
            [
                0.730868
                0.386043
                0.651759
            ]
            [
                0.26617
                0.865049
                0.950542
            ]
            [
                0.895568
                0.475691
                0.850386
            ]
            [
                0.898178
                0.414606
                0.534238
            ]
            [
                0.877148
                0.010338
                0.845713
            ]
            [
                0.391751
                0.375503
                0.055118
            ]
            [
                0.351734
                0.648461
                0.434856
            ]
            [
                0.727448
                0.120357
                0.06126
            ]
            [
                0.127176
                0.012436
                0.560711
            ]
            [
                0.20319
                0.626425
                0.56356
            ]
            [
                0.122852
                0.510338
                0.154287
            ]
            [
                0.851734
                0.648461
                0.565144
            ]
            [
                0.269132
                0.886043
                0.348241
            ]
            [
                0.76617
                0.865049
                0.049458
            ]
            [
                0.622852
                0.510338
                0.845713
            ]
            [
                0.23383
                0.365049
                0.950542
            ]
            [
                0.40229
                0.97252
                0.35543
            ]
            [
                0.126136
                0.485359
                0.738526
            ]
            [
                0.613601
                0.015597
                0.063651
            ]
            [
                0.714594
                0.888283
                0.444746
            ]
            [
                0.108249
                0.875503
                0.055118
            ]
            [
                0.588514
                0.616968
                0.526636
            ]
            [
                0.648266
                0.148461
                0.565144
            ]
            [
                0.873864
                0.985359
                0.261474
            ]
            [
                0.373864
                0.985359
                0.738526
            ]
            [
                0.620357
                0.620364
                0.930757
            ]
            [
                0.59771
                0.47252
                0.64457
            ]
            [
                0.737728
                0.615589
                0.842366
            ]
            [
                0.88577
                0.882621
                0.964702
            ]
            [
                0.90229
                0.97252
                0.64457
            ]
            [
                0.377148
                0.010338
                0.154287
            ]
            [
                0.355747
                0.549566
                0.340076
            ]
            [
                0.25295
                0.418118
                0.754545
            ]
            [
                0.285406
                0.388283
                0.555254
            ]
            [
                0.38577
                0.882621
                0.035298
            ]
            [
                0.120357
                0.620364
                0.069243
            ]
            [
                0.102707
                0.509822
                0.561632
            ]
            [
                0.74705
                0.918118
                0.245455
            ]
            [
                0.1279
                0.476276
                0.935836
            ]
            [
                0.230868
                0.386043
                0.348241
            ]
            [
                0.104432
                0.975691
                0.149614
            ]
            [
                0.148266
                0.148461
                0.434856
            ]
            [
                0.627176
                0.012436
                0.439289
            ]
            [
                0.27355
                0.139756
                0.353795
            ]
            [
                0.601822
                0.914606
                0.534238
            ]
            [
                0.77355
                0.139756
                0.646205
            ]
            [
                0.101822
                0.914606
                0.465762
            ]
            [
                0.125111
                0.368944
                0.444133
            ]
            [
                0.272552
                0.620357
                0.93874
            ]
            [
                0.398178
                0.414606
                0.465762
            ]
            [
                0.088514
                0.616968
                0.473364
            ]
            [
                0.604432
                0.975691
                0.850386
            ]
            [
                0.22645
                0.639756
                0.353795
            ]
            [
                0.72645
                0.639756
                0.646205
            ]
            [
                0.874889
                0.868944
                0.555867
            ]
            [
                0.397293
                0.009822
                0.561632
            ]
            [
                0.855747
                0.549566
                0.659924
            ]
            [
                0.602707
                0.509822
                0.438368
            ]
            [
                0.108017
                0.121142
                0.026135
            ]
            [
                0.70319
                0.626425
                0.43644
            ]
            [
                0.374889
                0.868944
                0.444133
            ]
            [
                0.75295
                0.418118
                0.245455
            ]
            [
                0.73383
                0.365049
                0.049458
            ]
            [
                0.772552
                0.620357
                0.06126
            ]
            [
                0.8721
                0.976276
                0.064164
            ]
            [
                0.762272
                0.115589
                0.842366
            ]
            [
                0.24705
                0.918118
                0.754545
            ]
            [
                0.79681
                0.126425
                0.43644
            ]
            [
                0.29681
                0.126425
                0.56356
            ]
            [
                0.886399
                0.515597
                0.063651
            ]
            [
                0.644253
                0.049566
                0.659924
            ]
            [
                0.372824
                0.512436
                0.560711
            ]
            [
                0.608017
                0.121142
                0.973865
            ]
            [
                0.227448
                0.120357
                0.93874
            ]
            [
                0.411486
                0.116968
                0.473364
            ]
            [
                0.214594
                0.888283
                0.555254
            ]
            [
                0.891751
                0.375503
                0.944882
            ]
            [
                0.721106
                0.870799
                0.853284
            ]
            [
                0.262272
                0.115589
                0.157634
            ]
            [
                0.872824
                0.512436
                0.439289
            ]
            [
                0.11423
                0.382621
                0.035298
            ]
            [
                0.879643
                0.120364
                0.930757
            ]
            [
                0.769132
                0.886043
                0.651759
            ]
            [
                0.391983
                0.621142
                0.026135
            ]
            [
                0.778894
                0.370799
                0.853284
            ]
            [
                0.16746
                0.428272
                0.39586
            ]
            [
                0.832531
                0.569471
                0.01751
            ]
            [
                0.151147
                0.57038
                0.518394
            ]
            [
                0.667469
                0.069471
                0.01751
            ]
            [
                0.830891
                0.451881
                0.486737
            ]
            [
                0.162713
                0.92483
                0.104327
            ]
            [
                0.297397
                0.592982
                0.390695
            ]
            [
                0.17874
                0.566288
                0.111557
            ]
            [
                0.167469
                0.069471
                0.98249
            ]
            [
                0.169109
                0.951881
                0.513263
            ]
            [
                0.33254
                0.928272
                0.39586
            ]
            [
                0.32335
                0.925227
                0.987219
            ]
            [
                0.702603
                0.092982
                0.609305
            ]
            [
                0.83254
                0.928272
                0.60414
            ]
            [
                0.67874
                0.566288
                0.888443
            ]
            [
                0.651147
                0.57038
                0.481606
            ]
            [
                0.848853
                0.07038
                0.481606
            ]
            [
                0.32126
                0.066288
                0.111557
            ]
            [
                0.332531
                0.569471
                0.98249
            ]
            [
                0.82335
                0.925227
                0.012781
            ]
            [
                0.662713
                0.92483
                0.895673
            ]
            [
                0.669109
                0.951881
                0.486737
            ]
            [
                0.330891
                0.451881
                0.513263
            ]
            [
                0.202603
                0.092982
                0.390695
            ]
            [
                0.348853
                0.07038
                0.518394
            ]
            [
                0.337287
                0.42483
                0.104327
            ]
            [
                0.67665
                0.425227
                0.012781
            ]
            [
                0.17665
                0.425227
                0.987219
            ]
            [
                0.797397
                0.592982
                0.609305
            ]
            [
                0.837287
                0.42483
                0.895673
            ]
            [
                0.66746
                0.428272
                0.60414
            ]
            [
                0.82126
                0.066288
                0.888443
            ]
            [
                0.743483
                0.998017
                0.953621
            ]
            [
                0.256517
                0.498017
                0.046379
            ]
            [
                0.737174
                0.510264
                0.545763
            ]
            [
                0.243483
                0.998017
                0.046379
            ]
            [
                0.262826
                0.010264
                0.454237
            ]
            [
                0.762826
                0.010264
                0.545763
            ]
            [
                0.237174
                0.510264
                0.454237
            ]
            [
                0.756517
                0.498017
                0.953621
            ]
            [
                0.971145
                0.609493
                0.291788
            ]
            [
                0.391759
                0.769226
                0.197495
            ]
            [
                0.442392
                0.318592
                0.307132
            ]
            [
                0.557608
                0.818592
                0.692868
            ]
            [
                0.102481
                0.887623
                0.797335
            ]
            [
                0.830005
                0.914682
                0.273139
            ]
            [
                0.528855
                0.109493
                0.291788
            ]
            [
                0.108241
                0.269226
                0.197495
            ]
            [
                0.471145
                0.609493
                0.708212
            ]
            [
                0.608241
                0.269226
                0.802505
            ]
            [
                0.057608
                0.818592
                0.307132
            ]
            [
                0.330005
                0.914682
                0.726861
            ]
            [
                0.897519
                0.387623
                0.202665
            ]
            [
                0.602481
                0.887623
                0.202665
            ]
            [
                0.942392
                0.318592
                0.692868
            ]
            [
                0.891759
                0.769226
                0.802505
            ]
            [
                0.669995
                0.414682
                0.273139
            ]
            [
                0.397519
                0.387623
                0.797335
            ]
            [
                0.169995
                0.414682
                0.726861
            ]
            [
                0.028855
                0.109493
                0.708212
            ]
            [
                0.142948
                0.254171
                0.590341
            ]
            [
                0.242177
                0.708417
                0.753908
            ]
            [
                0.062028
                0.257199
                0.855581
            ]
            [
                0.038335
                0.586062
                0.762376
            ]
            [
                0.08986
                0.707858
                0.91166
            ]
            [
                0.757823
                0.208417
                0.246092
            ]
            [
                0.857052
                0.754171
                0.409659
            ]
            [
                0.461665
                0.086062
                0.762376
            ]
            [
                0.742177
                0.708417
                0.246092
            ]
            [
                0.457148
                0.255744
                0.64553
            ]
            [
                0.58986
                0.707858
                0.08834
            ]
            [
                0.91014
                0.207858
                0.08834
            ]
            [
                0.437972
                0.757199
                0.855581
            ]
            [
                0.257823
                0.208417
                0.753908
            ]
            [
                0.357052
                0.754171
                0.590341
            ]
            [
                0.642948
                0.254171
                0.409659
            ]
            [
                0.961665
                0.086062
                0.237624
            ]
            [
                0.957148
                0.255744
                0.35447
            ]
            [
                0.41014
                0.207858
                0.91166
            ]
            [
                0.542852
                0.755744
                0.35447
            ]
            [
                0.562028
                0.257199
                0.144419
            ]
            [
                0.937972
                0.757199
                0.144419
            ]
            [
                0.538335
                0.586062
                0.237624
            ]
            [
                0.042852
                0.755744
                0.64553
            ]
        ]
    }
    "species" {
        "source-value" [
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "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"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "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"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 11.00594595
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 12.14027968
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 14.09209805
        "source-unit" "angstrom"
    }
}