{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "C2/c"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.274279
                0.910651
                0.126137
            ]
            [
                0.225721
                0.410651
                0.373863
            ]
            [
                0.725721
                0.089349
                0.873863
            ]
            [
                0.774279
                0.589349
                0.626137
            ]
            [
                0.01554
                0.77931
                0.896196
            ]
            [
                0.98446
                0.77931
                0.603804
            ]
            [
                0.98446
                0.22069
                0.103804
            ]
            [
                0.01554
                0.22069
                0.396196
            ]
            [
                0.774279
                0.410651
                0.126137
            ]
            [
                0.725721
                0.910651
                0.373863
            ]
            [
                0.225721
                0.589349
                0.873863
            ]
            [
                0.274279
                0.089349
                0.626137
            ]
            [
                0.51554
                0.27931
                0.896196
            ]
            [
                0.48446
                0.27931
                0.603804
            ]
            [
                0.48446
                0.72069
                0.103804
            ]
            [
                0.51554
                0.72069
                0.396196
            ]
            [
                0.142478
                0.907418
                0.286202
            ]
            [
                0.857522
                0.907418
                0.213798
            ]
            [
                0.857522
                0.092582
                0.713798
            ]
            [
                0.142478
                0.092582
                0.786202
            ]
            [
                0.332066
                0.949009
                0.407661
            ]
            [
                0.167934
                0.449009
                0.092339
            ]
            [
                0.667934
                0.050991
                0.592339
            ]
            [
                0.832066
                0.550991
                0.907661
            ]
            [
                0.642478
                0.407418
                0.286202
            ]
            [
                0.357522
                0.407418
                0.213798
            ]
            [
                0.357522
                0.592582
                0.713798
            ]
            [
                0.642478
                0.592582
                0.786202
            ]
            [
                0.832066
                0.449009
                0.407661
            ]
            [
                0.667934
                0.949009
                0.092339
            ]
            [
                0.167934
                0.550991
                0.592339
            ]
            [
                0.332066
                0.050991
                0.907661
            ]
            [
                0.093429
                0.700964
                0.151616
            ]
            [
                0.406571
                0.200964
                0.348384
            ]
            [
                0.906571
                0.299036
                0.848384
            ]
            [
                0.593429
                0.799036
                0.651616
            ]
            [
                0.855686
                0.242551
                0.535793
            ]
            [
                0.144314
                0.242551
                0.964207
            ]
            [
                0.144314
                0.757449
                0.464207
            ]
            [
                0.855686
                0.757449
                0.035793
            ]
            [
                0.049186
                0.586702
                0.286826
            ]
            [
                0.950814
                0.586702
                0.213174
            ]
            [
                0.950814
                0.413298
                0.713174
            ]
            [
                0.049186
                0.413298
                0.786826
            ]
            [
                0.593429
                0.200964
                0.151616
            ]
            [
                0.906571
                0.700964
                0.348384
            ]
            [
                0.406571
                0.799036
                0.848384
            ]
            [
                0.093429
                0.299036
                0.651616
            ]
            [
                0.355686
                0.742551
                0.535793
            ]
            [
                0.644314
                0.742551
                0.964207
            ]
            [
                0.644314
                0.257449
                0.464207
            ]
            [
                0.355686
                0.257449
                0.035793
            ]
            [
                0.549186
                0.086702
                0.286826
            ]
            [
                0.450814
                0.086702
                0.213174
            ]
            [
                0.450814
                0.913298
                0.713174
            ]
            [
                0.549186
                0.913298
                0.786826
            ]
            [
                0.085404
                0.84372
                0.163215
            ]
            [
                0.414596
                0.34372
                0.336785
            ]
            [
                0.914596
                0.15628
                0.836785
            ]
            [
                0.585404
                0.65628
                0.663215
            ]
            [
                0.144861
                0.747825
                0.359272
            ]
            [
                0.855139
                0.747825
                0.140728
            ]
            [
                0.855139
                0.252175
                0.640728
            ]
            [
                0.144861
                0.252175
                0.859272
            ]
            [
                0.115719
                0.101284
                0.301368
            ]
            [
                0.884281
                0.101284
                0.198632
            ]
            [
                0.884281
                0.898716
                0.698632
            ]
            [
                0.115719
                0.898716
                0.801368
            ]
            [
                0.237409
                0.917706
                0.298179
            ]
            [
                0.262591
                0.417706
                0.201821
            ]
            [
                0.762591
                0.082294
                0.701821
            ]
            [
                0.737409
                0.582294
                0.798179
            ]
            [
                0.389928
                0.989959
                0.363041
            ]
            [
                0.110072
                0.489959
                0.136959
            ]
            [
                0.610072
                0.010041
                0.636959
            ]
            [
                0.889928
                0.510041
                0.863041
            ]
            [
                0.326415
                0.098774
                0.478489
            ]
            [
                0.173585
                0.598774
                0.021511
            ]
            [
                0.673585
                0.901226
                0.521511
            ]
            [
                0.826415
                0.401226
                0.978489
            ]
            [
                0.35552
                0.745039
                0.463748
            ]
            [
                0.14448
                0.245039
                0.036252
            ]
            [
                0.64448
                0.254961
                0.536252
            ]
            [
                0.85552
                0.754961
                0.963748
            ]
            [
                0
                0.499508
                0.25
            ]
            [
                0
                0.500492
                0.75
            ]
            [
                0.585404
                0.34372
                0.163215
            ]
            [
                0.914596
                0.84372
                0.336785
            ]
            [
                0.414596
                0.65628
                0.836785
            ]
            [
                0.085404
                0.15628
                0.663215
            ]
            [
                0.644861
                0.247825
                0.359272
            ]
            [
                0.355139
                0.247825
                0.140728
            ]
            [
                0.355139
                0.752175
                0.640728
            ]
            [
                0.644861
                0.752175
                0.859272
            ]
            [
                0.615719
                0.601284
                0.301368
            ]
            [
                0.384281
                0.601284
                0.198632
            ]
            [
                0.384281
                0.398716
                0.698632
            ]
            [
                0.615719
                0.398716
                0.801368
            ]
            [
                0.737409
                0.417706
                0.298179
            ]
            [
                0.762591
                0.917706
                0.201821
            ]
            [
                0.262591
                0.582294
                0.701821
            ]
            [
                0.237409
                0.082294
                0.798179
            ]
            [
                0.889928
                0.489959
                0.363041
            ]
            [
                0.610072
                0.989959
                0.136959
            ]
            [
                0.110072
                0.510041
                0.636959
            ]
            [
                0.389928
                0.010041
                0.863041
            ]
            [
                0.826415
                0.598774
                0.478489
            ]
            [
                0.673585
                0.098774
                0.021511
            ]
            [
                0.173585
                0.401226
                0.521511
            ]
            [
                0.326415
                0.901226
                0.978489
            ]
            [
                0.85552
                0.245039
                0.463748
            ]
            [
                0.64448
                0.745039
                0.036252
            ]
            [
                0.14448
                0.754961
                0.536252
            ]
            [
                0.35552
                0.254961
                0.963748
            ]
            [
                0.5
                0.999508
                0.25
            ]
            [
                0.5
                0.000492
                0.75
            ]
        ]
    }
    "species" {
        "source-value" [
            "K"
            "K"
            "K"
            "K"
            "K"
            "K"
            "K"
            "K"
            "K"
            "K"
            "K"
            "K"
            "K"
            "K"
            "K"
            "K"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "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"
            "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" 18.22623698
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 7.01965396
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 14.40702176
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 120.81992096
        "source-unit" "degree"
    }
}