{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "R-3"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0
                0
                0.2084
            ]
            [
                0.666667
                0.333333
                0.541733
            ]
            [
                0.333333
                0.666667
                0.875067
            ]
            [
                0
                0
                0.37316
            ]
            [
                0.666667
                0.333333
                0.706494
            ]
            [
                0.333333
                0.666667
                0.039827
            ]
            [
                0
                0
                0.62684
            ]
            [
                0.666667
                0.333333
                0.960173
            ]
            [
                0.333333
                0.666667
                0.293506
            ]
            [
                0
                0
                0.7916
            ]
            [
                0.666667
                0.333333
                0.124933
            ]
            [
                0.333333
                0.666667
                0.458267
            ]
            [
                0.954779
                0.81013
                0.493047
            ]
            [
                0.621445
                0.143463
                0.826381
            ]
            [
                0.288112
                0.476797
                0.159714
            ]
            [
                0.045221
                0.18987
                0.506953
            ]
            [
                0.711888
                0.523203
                0.840286
            ]
            [
                0.378555
                0.856537
                0.173619
            ]
            [
                0.5521
                0.314543
                0.362684
            ]
            [
                0.218767
                0.647876
                0.696017
            ]
            [
                0.885434
                0.981209
                0.029351
            ]
            [
                0.028235
                0.117583
                0.470797
            ]
            [
                0.694901
                0.450916
                0.80413
            ]
            [
                0.361568
                0.78425
                0.137463
            ]
            [
                0.685457
                0.237558
                0.362684
            ]
            [
                0.352124
                0.570891
                0.696017
            ]
            [
                0.018791
                0.904224
                0.029351
            ]
            [
                0.882417
                0.910651
                0.470797
            ]
            [
                0.549084
                0.243985
                0.80413
            ]
            [
                0.21575
                0.577318
                0.137463
            ]
            [
                0.910651
                0.028235
                0.529203
            ]
            [
                0.577318
                0.361568
                0.862537
            ]
            [
                0.243985
                0.694901
                0.19587
            ]
            [
                0.820291
                0.517651
                0.326353
            ]
            [
                0.486958
                0.850984
                0.659686
            ]
            [
                0.153625
                0.184317
                0.993019
            ]
            [
                0.482349
                0.302641
                0.326353
            ]
            [
                0.149016
                0.635974
                0.659686
            ]
            [
                0.815683
                0.969307
                0.993019
            ]
            [
                0.117583
                0.089349
                0.529203
            ]
            [
                0.78425
                0.422682
                0.862537
            ]
            [
                0.450916
                0.756015
                0.19587
            ]
            [
                0.855351
                0.045221
                0.493047
            ]
            [
                0.522018
                0.378555
                0.826381
            ]
            [
                0.188685
                0.711888
                0.159714
            ]
            [
                0.762442
                0.4479
                0.362684
            ]
            [
                0.429109
                0.781233
                0.696017
            ]
            [
                0.095776
                0.114566
                0.029351
            ]
            [
                0.089349
                0.971765
                0.470797
            ]
            [
                0.756015
                0.305099
                0.80413
            ]
            [
                0.422682
                0.638432
                0.137463
            ]
            [
                0.179709
                0.482349
                0.673647
            ]
            [
                0.846375
                0.815683
                0.006981
            ]
            [
                0.513042
                0.149016
                0.340314
            ]
            [
                0.4479
                0.685457
                0.637316
            ]
            [
                0.114566
                0.018791
                0.970649
            ]
            [
                0.781233
                0.352124
                0.303983
            ]
            [
                0.81013
                0.855351
                0.506953
            ]
            [
                0.476797
                0.188685
                0.840286
            ]
            [
                0.143463
                0.522018
                0.173619
            ]
            [
                0.697359
                0.179709
                0.326353
            ]
            [
                0.364026
                0.513042
                0.659686
            ]
            [
                0.030693
                0.846375
                0.993019
            ]
            [
                0.314543
                0.762442
                0.637316
            ]
            [
                0.981209
                0.095776
                0.970649
            ]
            [
                0.647876
                0.429109
                0.303983
            ]
            [
                0.237558
                0.5521
                0.637316
            ]
            [
                0.904224
                0.885434
                0.970649
            ]
            [
                0.570891
                0.218767
                0.303983
            ]
            [
                0.517651
                0.697359
                0.673647
            ]
            [
                0.184317
                0.030693
                0.006981
            ]
            [
                0.850984
                0.364026
                0.340314
            ]
            [
                0.144649
                0.954779
                0.506953
            ]
            [
                0.811315
                0.288112
                0.840286
            ]
            [
                0.477982
                0.621445
                0.173619
            ]
            [
                0.971765
                0.882417
                0.529203
            ]
            [
                0.638432
                0.21575
                0.862537
            ]
            [
                0.305099
                0.549084
                0.19587
            ]
            [
                0.18987
                0.144649
                0.493047
            ]
            [
                0.856537
                0.477982
                0.826381
            ]
            [
                0.523203
                0.811315
                0.159714
            ]
            [
                0.302641
                0.820291
                0.673647
            ]
            [
                0.969307
                0.153625
                0.006981
            ]
            [
                0.635974
                0.486958
                0.340314
            ]
            [
                0.702337
                0.091209
                0.485063
            ]
            [
                0.369003
                0.424542
                0.818396
            ]
            [
                0.03567
                0.757875
                0.15173
            ]
            [
                0.982406
                0.712653
                0.31844
            ]
            [
                0.649073
                0.045987
                0.651773
            ]
            [
                0.31574
                0.37932
                0.985107
            ]
            [
                0.388872
                0.297663
                0.485063
            ]
            [
                0.055538
                0.630997
                0.818396
            ]
            [
                0.722205
                0.96433
                0.15173
            ]
            [
                0.611128
                0.702337
                0.514937
            ]
            [
                0.277795
                0.03567
                0.84827
            ]
            [
                0.944462
                0.369003
                0.181604
            ]
            [
                0.269753
                0.982406
                0.68156
            ]
            [
                0.93642
                0.31574
                0.014893
            ]
            [
                0.603086
                0.649073
                0.348227
            ]
            [
                0.704465
                0.135173
                0.393217
            ]
            [
                0.371132
                0.468507
                0.72655
            ]
            [
                0.037799
                0.80184
                0.059884
            ]
            [
                0.730247
                0.017594
                0.31844
            ]
            [
                0.396914
                0.350927
                0.651773
            ]
            [
                0.06358
                0.68426
                0.985107
            ]
            [
                0.242671
                0.184307
                0.559887
            ]
            [
                0.909337
                0.51764
                0.89322
            ]
            [
                0.576004
                0.850974
                0.226553
            ]
            [
                0.017594
                0.287347
                0.68156
            ]
            [
                0.68426
                0.62068
                0.014893
            ]
            [
                0.350927
                0.954013
                0.348227
            ]
            [
                0.757329
                0.815693
                0.440113
            ]
            [
                0.423996
                0.149026
                0.773447
            ]
            [
                0.090663
                0.48236
                0.10678
            ]
            [
                0.569292
                0.704465
                0.606783
            ]
            [
                0.235959
                0.037799
                0.940116
            ]
            [
                0.902625
                0.371132
                0.27345
            ]
            [
                0.295535
                0.864827
                0.606783
            ]
            [
                0.962201
                0.19816
                0.940116
            ]
            [
                0.628868
                0.531493
                0.27345
            ]
            [
                0.908791
                0.611128
                0.485063
            ]
            [
                0.575458
                0.944462
                0.818396
            ]
            [
                0.242125
                0.277795
                0.15173
            ]
            [
                0.941636
                0.757329
                0.559887
            ]
            [
                0.608303
                0.090663
                0.89322
            ]
            [
                0.27497
                0.423996
                0.226553
            ]
            [
                0.135173
                0.430708
                0.606783
            ]
            [
                0.80184
                0.764041
                0.940116
            ]
            [
                0.468507
                0.097375
                0.27345
            ]
            [
                0.058364
                0.242671
                0.440113
            ]
            [
                0.72503
                0.576004
                0.773447
            ]
            [
                0.391697
                0.909337
                0.10678
            ]
            [
                0.712653
                0.730247
                0.68156
            ]
            [
                0.37932
                0.06358
                0.014893
            ]
            [
                0.045987
                0.396914
                0.348227
            ]
            [
                0.815693
                0.058364
                0.559887
            ]
            [
                0.48236
                0.391697
                0.89322
            ]
            [
                0.149026
                0.72503
                0.226553
            ]
            [
                0.430708
                0.295535
                0.393217
            ]
            [
                0.097375
                0.628868
                0.72655
            ]
            [
                0.764041
                0.962201
                0.059884
            ]
            [
                0.864827
                0.569292
                0.393217
            ]
            [
                0.531493
                0.902625
                0.72655
            ]
            [
                0.19816
                0.235959
                0.059884
            ]
            [
                0.297663
                0.908791
                0.514937
            ]
            [
                0.96433
                0.242125
                0.84827
            ]
            [
                0.630997
                0.575458
                0.181604
            ]
            [
                0.184307
                0.941636
                0.440113
            ]
            [
                0.850974
                0.27497
                0.773447
            ]
            [
                0.51764
                0.608303
                0.10678
            ]
            [
                0.287347
                0.269753
                0.31844
            ]
            [
                0.954013
                0.603086
                0.651773
            ]
            [
                0.62068
                0.93642
                0.985107
            ]
            [
                0.091209
                0.388872
                0.514937
            ]
            [
                0.757875
                0.722205
                0.84827
            ]
            [
                0.424542
                0.055538
                0.181604
            ]
        ]
    }
    "species" {
        "source-value" [
            "Cs"
            "Cs"
            "Cs"
            "Cs"
            "Cs"
            "Cs"
            "Cs"
            "Cs"
            "Cs"
            "Cs"
            "Cs"
            "Cs"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "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" 9.74451118258
        "source-unit" "angstrom"
    }
    "alpha" {
        "source-value" 90
        "source-unit" "degree"
    }
}