{
    "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" [
            [
                0.110273
                0.250508
                0.292025
            ]
            [
                0.889727
                0.750508
                0.207975
            ]
            [
                0.110273
                0.249492
                0.792025
            ]
            [
                0.889727
                0.749492
                0.707975
            ]
            [
                0.406538
                0.716149
                0.409673
            ]
            [
                0
                0
                0
            ]
            [
                0
                0.5
                0
            ]
            [
                0.406538
                0.783851
                0.909673
            ]
            [
                0
                0
                0.5
            ]
            [
                0
                0.5
                0.5
            ]
            [
                0.593462
                0.216149
                0.090327
            ]
            [
                0.593462
                0.283851
                0.590327
            ]
            [
                0.59494
                0.744526
                0.759194
            ]
            [
                0.323231
                0.003175
                0.378472
            ]
            [
                0.40506
                0.244526
                0.740806
            ]
            [
                0.323231
                0.496825
                0.878472
            ]
            [
                0.676769
                0.503175
                0.121528
            ]
            [
                0.59494
                0.755474
                0.259194
            ]
            [
                0.676769
                0.996825
                0.621528
            ]
            [
                0.40506
                0.255474
                0.240806
            ]
            [
                0.774846
                0.020606
                0.888974
            ]
            [
                0.700172
                0.720384
                0.772167
            ]
            [
                0.564611
                0.108512
                0.576894
            ]
            [
                0.7751
                0.46458
                0.914324
            ]
            [
                0.368777
                0.547886
                0.385571
            ]
            [
                0.557826
                0.277338
                0.729025
            ]
            [
                0.359626
                0.297775
                0.482942
            ]
            [
                0.378185
                0.717994
                0.548834
            ]
            [
                0.238779
                0.064295
                0.341371
            ]
            [
                0.621815
                0.217994
                0.951166
            ]
            [
                0.176284
                0.745588
                0.299268
            ]
            [
                0.001135
                0.140334
                0.09326
            ]
            [
                0.023365
                0.410892
                0.142456
            ]
            [
                0.442174
                0.777338
                0.770975
            ]
            [
                0.958156
                0.645046
                0.066469
            ]
            [
                0.951652
                0.901223
                0.105826
            ]
            [
                0.2249
                0.96458
                0.585676
            ]
            [
                0.435389
                0.608512
                0.923106
            ]
            [
                0.299828
                0.220384
                0.727833
            ]
            [
                0.225154
                0.520606
                0.611026
            ]
            [
                0.048348
                0.401223
                0.394174
            ]
            [
                0.368777
                0.952114
                0.885571
            ]
            [
                0.041844
                0.145046
                0.433531
            ]
            [
                0.976635
                0.910892
                0.357544
            ]
            [
                0.998865
                0.640334
                0.40674
            ]
            [
                0.359626
                0.202225
                0.982942
            ]
            [
                0.823716
                0.245588
                0.200732
            ]
            [
                0.238779
                0.435705
                0.841371
            ]
            [
                0.761221
                0.564295
                0.158629
            ]
            [
                0.176284
                0.754412
                0.799268
            ]
            [
                0.640374
                0.797775
                0.017058
            ]
            [
                0.001135
                0.359666
                0.59326
            ]
            [
                0.023365
                0.089108
                0.642456
            ]
            [
                0.958156
                0.854954
                0.566469
            ]
            [
                0.631223
                0.047886
                0.114429
            ]
            [
                0.951652
                0.598777
                0.605826
            ]
            [
                0.774846
                0.479394
                0.388974
            ]
            [
                0.700172
                0.779616
                0.272167
            ]
            [
                0.564611
                0.391488
                0.076894
            ]
            [
                0.7751
                0.03542
                0.414324
            ]
            [
                0.048348
                0.098777
                0.894174
            ]
            [
                0.041844
                0.354954
                0.933531
            ]
            [
                0.557826
                0.222662
                0.229025
            ]
            [
                0.976635
                0.589108
                0.857544
            ]
            [
                0.998865
                0.859666
                0.90674
            ]
            [
                0.823716
                0.254412
                0.700732
            ]
            [
                0.378185
                0.782006
                0.048834
            ]
            [
                0.761221
                0.935705
                0.658629
            ]
            [
                0.621815
                0.282006
                0.451166
            ]
            [
                0.640374
                0.702225
                0.517058
            ]
            [
                0.442174
                0.722662
                0.270975
            ]
            [
                0.631223
                0.452114
                0.614429
            ]
            [
                0.2249
                0.53542
                0.085676
            ]
            [
                0.435389
                0.891488
                0.423106
            ]
            [
                0.299828
                0.279616
                0.227833
            ]
            [
                0.225154
                0.979394
                0.111026
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ca"
            "Ca"
            "Ca"
            "Ca"
            "Sb"
            "Sb"
            "Sb"
            "Sb"
            "Sb"
            "Sb"
            "Sb"
            "Sb"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "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" 9.50250625
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 11.06282542
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 12.47830813
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 120.18260967
        "source-unit" "degree"
    }
}