{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "R-3c"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.166409
                0.833075
                0.083333
            ]
            [
                0.333333
                0.166409
                0.916667
            ]
            [
                0.833075
                0.666667
                0.916667
            ]
            [
                0.166925
                0.333333
                0.083333
            ]
            [
                0.666667
                0.833591
                0.083333
            ]
            [
                0.833591
                0.166925
                0.916667
            ]
            [
                0.833075
                0.166409
                0.416667
            ]
            [
                0
                0.499742
                0.25
            ]
            [
                0.499742
                0
                0.25
            ]
            [
                0.833591
                0.666667
                0.416667
            ]
            [
                0.333333
                0.166925
                0.416667
            ]
            [
                0.500258
                0.500258
                0.25
            ]
            [
                0.499742
                0.499742
                0.75
            ]
            [
                0.666667
                0.833075
                0.583333
            ]
            [
                0.166409
                0.333333
                0.583333
            ]
            [
                0.500258
                0
                0.75
            ]
            [
                0
                0.500258
                0.75
            ]
            [
                0.166925
                0.833591
                0.583333
            ]
            [
                0.809293
                0
                0.75
            ]
            [
                0.809293
                0.809293
                0.25
            ]
            [
                0
                0.190707
                0.25
            ]
            [
                0.190707
                0.190707
                0.75
            ]
            [
                0
                0.809293
                0.75
            ]
            [
                0.190707
                0
                0.25
            ]
            [
                0.47596
                0.333333
                0.083333
            ]
            [
                0.47596
                0.142627
                0.583333
            ]
            [
                0.666667
                0.52404
                0.583333
            ]
            [
                0.857373
                0.52404
                0.083333
            ]
            [
                0.666667
                0.142627
                0.083333
            ]
            [
                0.857373
                0.333333
                0.583333
            ]
            [
                0.142627
                0.666667
                0.416667
            ]
            [
                0.142627
                0.47596
                0.916667
            ]
            [
                0.333333
                0.857373
                0.916667
            ]
            [
                0.52404
                0.857373
                0.416667
            ]
            [
                0.333333
                0.47596
                0.416667
            ]
            [
                0.52404
                0.666667
                0.916667
            ]
            [
                0.810135
                0
                0.25
            ]
            [
                0.810135
                0.810135
                0.75
            ]
            [
                0
                0.189865
                0.75
            ]
            [
                0.189865
                0.189865
                0.25
            ]
            [
                0
                0.810135
                0.25
            ]
            [
                0.189865
                0
                0.75
            ]
            [
                0.476801
                0.333333
                0.583333
            ]
            [
                0.476801
                0.143468
                0.083333
            ]
            [
                0.666667
                0.523199
                0.083333
            ]
            [
                0.856532
                0.523199
                0.583333
            ]
            [
                0.666667
                0.143468
                0.583333
            ]
            [
                0.856532
                0.333333
                0.083333
            ]
            [
                0.143468
                0.666667
                0.916667
            ]
            [
                0.143468
                0.476801
                0.416667
            ]
            [
                0.333333
                0.856532
                0.416667
            ]
            [
                0.523199
                0.856532
                0.916667
            ]
            [
                0.333333
                0.476801
                0.916667
            ]
            [
                0.523199
                0.666667
                0.416667
            ]
            [
                0.02696
                0.864564
                0.994687
            ]
            [
                0.162397
                0.02696
                0.005313
            ]
            [
                0.300225
                0.303724
                0.830701
            ]
            [
                0.216296
                0.117262
                0.078703
            ]
            [
                0.117262
                0.900966
                0.921297
            ]
            [
                0.366441
                0.336832
                0.002632
            ]
            [
                0.303724
                0.003499
                0.169299
            ]
            [
                0.450371
                0.234299
                0.75463
            ]
            [
                0.234299
                0.783928
                0.24537
            ]
            [
                0.336832
                0.970391
                0.997368
            ]
            [
                0.197897
                0.693627
                0.17198
            ]
            [
                0.996501
                0.300225
                0.169299
            ]
            [
                0.029609
                0.366441
                0.997368
            ]
            [
                0.50427
                0.197897
                0.82802
            ]
            [
                0.693627
                0.49573
                0.82802
            ]
            [
                0.864564
                0.837603
                0.005313
            ]
            [
                0.216072
                0.450371
                0.24537
            ]
            [
                0.099034
                0.216296
                0.921297
            ]
            [
                0.783928
                0.549629
                0.75463
            ]
            [
                0.900966
                0.783704
                0.078703
            ]
            [
                0.135436
                0.162397
                0.994687
            ]
            [
                0.306373
                0.50427
                0.17198
            ]
            [
                0.49573
                0.802103
                0.17198
            ]
            [
                0.970391
                0.633559
                0.002632
            ]
            [
                0.003499
                0.699775
                0.830701
            ]
            [
                0.802103
                0.306373
                0.82802
            ]
            [
                0.663168
                0.029609
                0.002632
            ]
            [
                0.765701
                0.216072
                0.75463
            ]
            [
                0.549629
                0.765701
                0.24537
            ]
            [
                0.696276
                0.996501
                0.830701
            ]
            [
                0.633559
                0.663168
                0.997368
            ]
            [
                0.882738
                0.099034
                0.078703
            ]
            [
                0.783704
                0.882738
                0.921297
            ]
            [
                0.699775
                0.696276
                0.169299
            ]
            [
                0.837603
                0.97304
                0.994687
            ]
            [
                0.97304
                0.135436
                0.005313
            ]
            [
                0.693627
                0.197897
                0.32802
            ]
            [
                0.829063
                0.360294
                0.338647
            ]
            [
                0.966892
                0.637058
                0.164035
            ]
            [
                0.882962
                0.450595
                0.412036
            ]
            [
                0.783928
                0.234299
                0.25463
            ]
            [
                0.033108
                0.670166
                0.335965
            ]
            [
                0.970391
                0.336832
                0.502632
            ]
            [
                0.117038
                0.567633
                0.087964
            ]
            [
                0.900966
                0.117262
                0.578703
            ]
            [
                0.003499
                0.303724
                0.330701
            ]
            [
                0.864564
                0.02696
                0.505313
            ]
            [
                0.663168
                0.633559
                0.502632
            ]
            [
                0.696276
                0.699775
                0.330701
            ]
            [
                0.170937
                0.53123
                0.161353
            ]
            [
                0.360294
                0.829063
                0.161353
            ]
            [
                0.53123
                0.170937
                0.338647
            ]
            [
                0.882738
                0.783704
                0.578703
            ]
            [
                0.765701
                0.549629
                0.25463
            ]
            [
                0.450595
                0.882962
                0.087964
            ]
            [
                0.567633
                0.117038
                0.412036
            ]
            [
                0.802103
                0.49573
                0.32802
            ]
            [
                0.97304
                0.837603
                0.505313
            ]
            [
                0.162397
                0.135436
                0.505313
            ]
            [
                0.637058
                0.966892
                0.335965
            ]
            [
                0.670166
                0.033108
                0.164035
            ]
            [
                0.46877
                0.639706
                0.161353
            ]
            [
                0.329834
                0.362942
                0.335965
            ]
            [
                0.432367
                0.549405
                0.087964
            ]
            [
                0.216296
                0.099034
                0.578703
            ]
            [
                0.362942
                0.329834
                0.164035
            ]
            [
                0.300225
                0.996501
                0.330701
            ]
            [
                0.549405
                0.432367
                0.412036
            ]
            [
                0.450371
                0.216072
                0.25463
            ]
            [
                0.366441
                0.029609
                0.502632
            ]
            [
                0.50427
                0.306373
                0.32802
            ]
            [
                0.639706
                0.46877
                0.338647
            ]
            [
                0.360294
                0.53123
                0.661353
            ]
            [
                0.49573
                0.693627
                0.67198
            ]
            [
                0.633559
                0.970391
                0.497368
            ]
            [
                0.549629
                0.783928
                0.74537
            ]
            [
                0.450595
                0.567633
                0.587964
            ]
            [
                0.699775
                0.003499
                0.669299
            ]
            [
                0.637058
                0.670166
                0.835965
            ]
            [
                0.783704
                0.900966
                0.421297
            ]
            [
                0.567633
                0.450595
                0.912036
            ]
            [
                0.670166
                0.637058
                0.664035
            ]
            [
                0.53123
                0.360294
                0.838647
            ]
            [
                0.329834
                0.966892
                0.835965
            ]
            [
                0.362942
                0.033108
                0.664035
            ]
            [
                0.837603
                0.864564
                0.494687
            ]
            [
                0.02696
                0.162397
                0.494687
            ]
            [
                0.197897
                0.50427
                0.67198
            ]
            [
                0.549405
                0.117038
                0.912036
            ]
            [
                0.432367
                0.882962
                0.587964
            ]
            [
                0.117262
                0.216296
                0.421297
            ]
            [
                0.234299
                0.450371
                0.74537
            ]
            [
                0.46877
                0.829063
                0.661353
            ]
            [
                0.639706
                0.170937
                0.838647
            ]
            [
                0.829063
                0.46877
                0.838647
            ]
            [
                0.303724
                0.300225
                0.669299
            ]
            [
                0.336832
                0.366441
                0.497368
            ]
            [
                0.135436
                0.97304
                0.494687
            ]
            [
                0.996501
                0.696276
                0.669299
            ]
            [
                0.099034
                0.882738
                0.421297
            ]
            [
                0.882962
                0.432367
                0.912036
            ]
            [
                0.029609
                0.663168
                0.497368
            ]
            [
                0.966892
                0.329834
                0.664035
            ]
            [
                0.216072
                0.765701
                0.74537
            ]
            [
                0.117038
                0.549405
                0.587964
            ]
            [
                0.033108
                0.362942
                0.835965
            ]
            [
                0.170937
                0.639706
                0.661353
            ]
            [
                0.306373
                0.802103
                0.67198
            ]
            [
                0.035692
                0.771595
                0.165661
            ]
            [
                0.265599
                0.227256
                0.827897
            ]
            [
                0.104337
                0.901333
                0.989893
            ]
            [
                0.203004
                0.104337
                0.010107
            ]
            [
                0.264097
                0.035692
                0.834339
            ]
            [
                0.227256
                0.961657
                0.172103
            ]
            [
                0.401068
                0.29499
                0.005436
            ]
            [
                0.104928
                0.702359
                0.001006
            ]
            [
                0.234667
                0.771004
                0.176773
            ]
            [
                0.463663
                0.234667
                0.823227
            ]
            [
                0.29499
                0.893922
                0.994564
            ]
            [
                0.40257
                0.104928
                0.998994
            ]
            [
                0.910279
                0.08435
                0.712068
            ]
            [
                0.82593
                0.91565
                0.787932
            ]
            [
                0.82593
                0.910279
                0.287932
            ]
            [
                0.91565
                0.089721
                0.212068
            ]
            [
                0.702359
                0.59743
                0.998994
            ]
            [
                0.771595
                0.735903
                0.834339
            ]
            [
                0.038343
                0.265599
                0.172103
            ]
            [
                0.106078
                0.401068
                0.994564
            ]
            [
                0.08435
                0.17407
                0.287932
            ]
            [
                0.910279
                0.82593
                0.212068
            ]
            [
                0.771004
                0.536337
                0.823227
            ]
            [
                0.901333
                0.796996
                0.010107
            ]
            [
                0.228996
                0.463663
                0.176773
            ]
            [
                0.098667
                0.203004
                0.989893
            ]
            [
                0.089721
                0.17407
                0.787932
            ]
            [
                0.91565
                0.82593
                0.712068
            ]
            [
                0.961657
                0.734401
                0.827897
            ]
            [
                0.893922
                0.598932
                0.005436
            ]
            [
                0.228405
                0.264097
                0.165661
            ]
            [
                0.297641
                0.40257
                0.001006
            ]
            [
                0.17407
                0.089721
                0.712068
            ]
            [
                0.08435
                0.910279
                0.787932
            ]
            [
                0.17407
                0.08435
                0.212068
            ]
            [
                0.089721
                0.91565
                0.287932
            ]
            [
                0.59743
                0.895072
                0.001006
            ]
            [
                0.70501
                0.106078
                0.005436
            ]
            [
                0.536337
                0.765333
                0.176773
            ]
            [
                0.765333
                0.228996
                0.823227
            ]
            [
                0.895072
                0.297641
                0.998994
            ]
            [
                0.598932
                0.70501
                0.994564
            ]
            [
                0.772744
                0.038343
                0.827897
            ]
            [
                0.735903
                0.964308
                0.165661
            ]
            [
                0.796996
                0.895663
                0.989893
            ]
            [
                0.895663
                0.098667
                0.010107
            ]
            [
                0.734401
                0.772744
                0.172103
            ]
            [
                0.964308
                0.228405
                0.834339
            ]
            [
                0.702359
                0.104928
                0.498994
            ]
            [
                0.932265
                0.560589
                0.161231
            ]
            [
                0.771004
                0.234667
                0.323227
            ]
            [
                0.86967
                0.43767
                0.34344
            ]
            [
                0.930764
                0.369025
                0.167672
            ]
            [
                0.893922
                0.29499
                0.505436
            ]
            [
                0.067735
                0.628324
                0.338769
            ]
            [
                0.771595
                0.035692
                0.334339
            ]
            [
                0.901333
                0.104337
                0.510107
            ]
            [
                0.13033
                0.568
                0.15656
            ]
            [
                0.961657
                0.227256
                0.327897
            ]
            [
                0.069236
                0.438262
                0.332328
            ]
            [
                0.576946
                0.417683
                0.045401
            ]
            [
                0.492596
                0.248984
                0.121266
            ]
            [
                0.492596
                0.243613
                0.621266
            ]
            [
                0.582317
                0.423054
                0.545401
            ]
            [
                0.369025
                0.930764
                0.332328
            ]
            [
                0.438262
                0.069236
                0.167672
            ]
            [
                0.70501
                0.598932
                0.505436
            ]
            [
                0.772744
                0.734401
                0.327897
            ]
            [
                0.751016
                0.507404
                0.621266
            ]
            [
                0.576946
                0.159263
                0.545401
            ]
            [
                0.43767
                0.86967
                0.15656
            ]
            [
                0.568
                0.13033
                0.34344
            ]
            [
                0.895663
                0.796996
                0.510107
            ]
            [
                0.765333
                0.536337
                0.323227
            ]
            [
                0.756387
                0.507404
                0.121266
            ]
            [
                0.582317
                0.159263
                0.045401
            ]
            [
                0.628324
                0.067735
                0.161231
            ]
            [
                0.560589
                0.932265
                0.338769
            ]
            [
                0.895072
                0.59743
                0.498994
            ]
            [
                0.964308
                0.735903
                0.334339
            ]
            [
                0.840737
                0.423054
                0.045401
            ]
            [
                0.751016
                0.243613
                0.121266
            ]
            [
                0.840737
                0.417683
                0.545401
            ]
            [
                0.756387
                0.248984
                0.621266
            ]
            [
                0.264097
                0.228405
                0.334339
            ]
            [
                0.371676
                0.439411
                0.338769
            ]
            [
                0.203004
                0.098667
                0.510107
            ]
            [
                0.432
                0.56233
                0.15656
            ]
            [
                0.561738
                0.630975
                0.332328
            ]
            [
                0.265599
                0.038343
                0.327897
            ]
            [
                0.439411
                0.371676
                0.161231
            ]
            [
                0.40257
                0.297641
                0.498994
            ]
            [
                0.463663
                0.228996
                0.323227
            ]
            [
                0.56233
                0.432
                0.34344
            ]
            [
                0.401068
                0.106078
                0.505436
            ]
            [
                0.630975
                0.561738
                0.167672
            ]
            [
                0.369025
                0.438262
                0.832328
            ]
            [
                0.598932
                0.893922
                0.494564
            ]
            [
                0.43767
                0.568
                0.65656
            ]
            [
                0.536337
                0.771004
                0.676773
            ]
            [
                0.59743
                0.702359
                0.501006
            ]
            [
                0.560589
                0.628324
                0.838769
            ]
            [
                0.734401
                0.961657
                0.672103
            ]
            [
                0.438262
                0.369025
                0.667672
            ]
            [
                0.568
                0.43767
                0.84344
            ]
            [
                0.796996
                0.901333
                0.489893
            ]
            [
                0.628324
                0.560589
                0.661231
            ]
            [
                0.735903
                0.771595
                0.665661
            ]
            [
                0.243613
                0.751016
                0.378734
            ]
            [
                0.159263
                0.582317
                0.454599
            ]
            [
                0.159263
                0.576946
                0.954599
            ]
            [
                0.248984
                0.756387
                0.878734
            ]
            [
                0.035692
                0.264097
                0.665661
            ]
            [
                0.104928
                0.40257
                0.501006
            ]
            [
                0.371676
                0.932265
                0.838769
            ]
            [
                0.439411
                0.067735
                0.661231
            ]
            [
                0.417683
                0.840737
                0.954599
            ]
            [
                0.243613
                0.492596
                0.878734
            ]
            [
                0.104337
                0.203004
                0.489893
            ]
            [
                0.234667
                0.463663
                0.676773
            ]
            [
                0.56233
                0.13033
                0.84344
            ]
            [
                0.432
                0.86967
                0.65656
            ]
            [
                0.423054
                0.840737
                0.454599
            ]
            [
                0.248984
                0.492596
                0.378734
            ]
            [
                0.29499
                0.401068
                0.494564
            ]
            [
                0.227256
                0.265599
                0.672103
            ]
            [
                0.561738
                0.930764
                0.832328
            ]
            [
                0.630975
                0.069236
                0.667672
            ]
            [
                0.507404
                0.756387
                0.378734
            ]
            [
                0.417683
                0.576946
                0.454599
            ]
            [
                0.507404
                0.751016
                0.878734
            ]
            [
                0.423054
                0.582317
                0.954599
            ]
            [
                0.930764
                0.561738
                0.667672
            ]
            [
                0.038343
                0.772744
                0.672103
            ]
            [
                0.86967
                0.432
                0.84344
            ]
            [
                0.098667
                0.895663
                0.489893
            ]
            [
                0.228405
                0.964308
                0.665661
            ]
            [
                0.932265
                0.371676
                0.661231
            ]
            [
                0.106078
                0.70501
                0.494564
            ]
            [
                0.069236
                0.630975
                0.832328
            ]
            [
                0.13033
                0.56233
                0.65656
            ]
            [
                0.228996
                0.765333
                0.676773
            ]
            [
                0.067735
                0.439411
                0.838769
            ]
            [
                0.297641
                0.895072
                0.501006
            ]
        ]
    }
    "species" {
        "source-value" [
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "P"
            "P"
            "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"
            "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"
            "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"
            "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"
            "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" 15.00235707
        "source-unit" "angstrom"
    }
    "alpha" {
        "source-value" 90
        "source-unit" "degree"
    }
}