{
    "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
            ]
            [
                0.333333
                0.666667
                0.91748
            ]
            [
                0.666667
                0.333333
                0.08252
            ]
            [
                0.666667
                0.333333
                0.333333
            ]
            [
                0
                0
                0.250813
            ]
            [
                0.333333
                0.666667
                0.415854
            ]
            [
                0.333333
                0.666667
                0.666667
            ]
            [
                0.666667
                0.333333
                0.584146
            ]
            [
                0
                0
                0.749187
            ]
            [
                0
                0
                0.146756
            ]
            [
                0.333333
                0.666667
                0.040249
            ]
            [
                0.273122
                0.943633
                0.087394
            ]
            [
                0.670511
                0.726878
                0.087394
            ]
            [
                0.056367
                0.329489
                0.087394
            ]
            [
                0.943633
                0.670511
                0.912606
            ]
            [
                0.329489
                0.273122
                0.912606
            ]
            [
                0.726878
                0.056367
                0.912606
            ]
            [
                0.666667
                0.333333
                0.959751
            ]
            [
                0
                0
                0.853244
            ]
            [
                0.666667
                0.333333
                0.48009
            ]
            [
                0
                0
                0.373582
            ]
            [
                0.939789
                0.276966
                0.420728
            ]
            [
                0.337177
                0.060211
                0.420728
            ]
            [
                0.723034
                0.662823
                0.420728
            ]
            [
                0.6103
                0.003844
                0.245939
            ]
            [
                0.996156
                0.606456
                0.245939
            ]
            [
                0.393544
                0.3897
                0.245939
            ]
            [
                0.333333
                0.666667
                0.293084
            ]
            [
                0.666667
                0.333333
                0.186577
            ]
            [
                0.333333
                0.666667
                0.813423
            ]
            [
                0.666667
                0.333333
                0.706916
            ]
            [
                0.606456
                0.6103
                0.754061
            ]
            [
                0.003844
                0.393544
                0.754061
            ]
            [
                0.3897
                0.996156
                0.754061
            ]
            [
                0.276966
                0.337177
                0.579272
            ]
            [
                0.662823
                0.939789
                0.579272
            ]
            [
                0.060211
                0.723034
                0.579272
            ]
            [
                0
                0
                0.626418
            ]
            [
                0.333333
                0.666667
                0.51991
            ]
            [
                0.281475
                0.927154
                0.968496
            ]
            [
                0.645679
                0.718525
                0.968496
            ]
            [
                0.072846
                0.354321
                0.968496
            ]
            [
                0.636395
                0.022644
                0.131016
            ]
            [
                0.977356
                0.613751
                0.131016
            ]
            [
                0.386249
                0.363605
                0.131016
            ]
            [
                0.613751
                0.636395
                0.868984
            ]
            [
                0.022644
                0.386249
                0.868984
            ]
            [
                0.363605
                0.977356
                0.868984
            ]
            [
                0.927154
                0.645679
                0.031504
            ]
            [
                0.354321
                0.281475
                0.031504
            ]
            [
                0.718525
                0.072846
                0.031504
            ]
            [
                0.948142
                0.260488
                0.301829
            ]
            [
                0.312345
                0.051858
                0.301829
            ]
            [
                0.739512
                0.687655
                0.301829
            ]
            [
                0.303061
                0.355977
                0.464349
            ]
            [
                0.644023
                0.947084
                0.464349
            ]
            [
                0.052916
                0.696939
                0.464349
            ]
            [
                0.280417
                0.969728
                0.202318
            ]
            [
                0.689311
                0.719583
                0.202318
            ]
            [
                0.030272
                0.310689
                0.202318
            ]
            [
                0.593821
                0.979012
                0.364837
            ]
            [
                0.020988
                0.614809
                0.364837
            ]
            [
                0.385191
                0.406179
                0.364837
            ]
            [
                0.614809
                0.593821
                0.635163
            ]
            [
                0.979012
                0.385191
                0.635163
            ]
            [
                0.406179
                0.020988
                0.635163
            ]
            [
                0.969728
                0.689311
                0.797682
            ]
            [
                0.310689
                0.280417
                0.797682
            ]
            [
                0.719583
                0.030272
                0.797682
            ]
            [
                0.947084
                0.303061
                0.535651
            ]
            [
                0.355977
                0.052916
                0.535651
            ]
            [
                0.696939
                0.644023
                0.535651
            ]
            [
                0.260488
                0.312345
                0.698171
            ]
            [
                0.687655
                0.948142
                0.698171
            ]
            [
                0.051858
                0.739512
                0.698171
            ]
            [
                0.666667
                0.333333
                0.833333
            ]
            [
                0.333333
                0.666667
                0.166667
            ]
            [
                0
                1
                0.5
            ]
            [
                0.403591
                0.843245
                0.887157
            ]
            [
                0.439654
                0.596409
                0.887157
            ]
            [
                0.156755
                0.560346
                0.887157
            ]
            [
                0.126717
                0.953022
                0.969479
            ]
            [
                0.245176
                0.76057
                0.9476
            ]
            [
                0.515394
                0.754824
                0.9476
            ]
            [
                0.826305
                0.873283
                0.969479
            ]
            [
                0.23943
                0.484606
                0.9476
            ]
            [
                0.329769
                0.923698
                0.010553
            ]
            [
                0.593929
                0.670231
                0.010553
            ]
            [
                0.576942
                0.929609
                0.052286
            ]
            [
                0.046978
                0.173695
                0.969479
            ]
            [
                0.076302
                0.406071
                0.010553
            ]
            [
                0.070391
                0.647332
                0.052286
            ]
            [
                0.788073
                0.028748
                0.112259
            ]
            [
                0.352668
                0.423058
                0.052286
            ]
            [
                0.971252
                0.759325
                0.112259
            ]
            [
                0.488408
                0.849185
                0.124633
            ]
            [
                0.277727
                0.995114
                0.158126
            ]
            [
                0.150815
                0.639223
                0.124633
            ]
            [
                0.995114
                0.717387
                0.841874
            ]
            [
                0.360777
                0.511592
                0.124633
            ]
            [
                0.717387
                0.722273
                0.158126
            ]
            [
                0.240675
                0.211927
                0.112259
            ]
            [
                0.759325
                0.788073
                0.887741
            ]
            [
                0.282613
                0.277727
                0.841874
            ]
            [
                0.639223
                0.488408
                0.875367
            ]
            [
                0.004886
                0.282613
                0.158126
            ]
            [
                0.849185
                0.360777
                0.875367
            ]
            [
                0.722273
                0.004886
                0.841874
            ]
            [
                0.511592
                0.150815
                0.875367
            ]
            [
                0.028748
                0.240675
                0.887741
            ]
            [
                0.647332
                0.576942
                0.947714
            ]
            [
                0.211927
                0.971252
                0.887741
            ]
            [
                0.929609
                0.352668
                0.947714
            ]
            [
                0.923698
                0.593929
                0.989447
            ]
            [
                0.953022
                0.826305
                0.030521
            ]
            [
                0.423058
                0.070391
                0.947714
            ]
            [
                0.406071
                0.329769
                0.989447
            ]
            [
                0.670231
                0.076302
                0.989447
            ]
            [
                0.76057
                0.515394
                0.0524
            ]
            [
                0.173695
                0.126717
                0.030521
            ]
            [
                0.484606
                0.245176
                0.0524
            ]
            [
                0.754824
                0.23943
                0.0524
            ]
            [
                0.873283
                0.046978
                0.030521
            ]
            [
                0.843245
                0.439654
                0.112843
            ]
            [
                0.560346
                0.403591
                0.112843
            ]
            [
                0.596409
                0.156755
                0.112843
            ]
            [
                0.070258
                0.176579
                0.22049
            ]
            [
                0.106321
                0.929742
                0.22049
            ]
            [
                0.823421
                0.893679
                0.22049
            ]
            [
                0.793384
                0.286355
                0.302812
            ]
            [
                0.911843
                0.093903
                0.280934
            ]
            [
                0.182061
                0.088157
                0.280934
            ]
            [
                0.492971
                0.206616
                0.302812
            ]
            [
                0.906097
                0.817939
                0.280934
            ]
            [
                0.996436
                0.257032
                0.343886
            ]
            [
                0.260596
                0.003564
                0.343886
            ]
            [
                0.243608
                0.262942
                0.38562
            ]
            [
                0.713645
                0.507029
                0.302812
            ]
            [
                0.742968
                0.739404
                0.343886
            ]
            [
                0.737058
                0.980666
                0.38562
            ]
            [
                0.45474
                0.362081
                0.445592
            ]
            [
                0.019334
                0.756392
                0.38562
            ]
            [
                0.637919
                0.092658
                0.445592
            ]
            [
                0.155075
                0.182518
                0.457966
            ]
            [
                0.944394
                0.328448
                0.491459
            ]
            [
                0.817482
                0.972557
                0.457966
            ]
            [
                0.661781
                0.050721
                0.175207
            ]
            [
                0.027443
                0.844925
                0.457966
            ]
            [
                0.384054
                0.055606
                0.491459
            ]
            [
                0.907342
                0.54526
                0.445592
            ]
            [
                0.425992
                0.121406
                0.221075
            ]
            [
                0.949279
                0.611061
                0.175207
            ]
            [
                0.30589
                0.821742
                0.2087
            ]
            [
                0.671552
                0.615946
                0.491459
            ]
            [
                0.515852
                0.69411
                0.2087
            ]
            [
                0.388939
                0.338219
                0.175207
            ]
            [
                0.178258
                0.484148
                0.2087
            ]
            [
                0.695414
                0.574008
                0.221075
            ]
            [
                0.313999
                0.910275
                0.281047
            ]
            [
                0.878594
                0.304586
                0.221075
            ]
            [
                0.596276
                0.686001
                0.281047
            ]
            [
                0.590365
                0.927262
                0.322781
            ]
            [
                0.619688
                0.159638
                0.363855
            ]
            [
                0.089725
                0.403724
                0.281047
            ]
            [
                0.072738
                0.663103
                0.322781
            ]
            [
                0.336897
                0.409635
                0.322781
            ]
            [
                0.427237
                0.848727
                0.385733
            ]
            [
                0.840362
                0.46005
                0.363855
            ]
            [
                0.151273
                0.578509
                0.385733
            ]
            [
                0.421491
                0.572763
                0.385733
            ]
            [
                0.53995
                0.380312
                0.363855
            ]
            [
                0.509912
                0.772987
                0.446177
            ]
            [
                0.227013
                0.736924
                0.446177
            ]
            [
                0.263076
                0.490088
                0.446177
            ]
            [
                0.736924
                0.509912
                0.553823
            ]
            [
                0.772987
                0.263076
                0.553823
            ]
            [
                0.490088
                0.227013
                0.553823
            ]
            [
                0.46005
                0.619688
                0.636145
            ]
            [
                0.578509
                0.427237
                0.614267
            ]
            [
                0.848727
                0.421491
                0.614267
            ]
            [
                0.159638
                0.53995
                0.636145
            ]
            [
                0.572763
                0.151273
                0.614267
            ]
            [
                0.663103
                0.590365
                0.677219
            ]
            [
                0.927262
                0.336897
                0.677219
            ]
            [
                0.910275
                0.596276
                0.718953
            ]
            [
                0.380312
                0.840362
                0.636145
            ]
            [
                0.409635
                0.072738
                0.677219
            ]
            [
                0.403724
                0.313999
                0.718953
            ]
            [
                0.121406
                0.695414
                0.778925
            ]
            [
                0.686001
                0.089725
                0.718953
            ]
            [
                0.304586
                0.425992
                0.778925
            ]
            [
                0.821742
                0.515852
                0.7913
            ]
            [
                0.611061
                0.661781
                0.824793
            ]
            [
                0.484148
                0.30589
                0.7913
            ]
            [
                0.328448
                0.384054
                0.508541
            ]
            [
                0.69411
                0.178258
                0.7913
            ]
            [
                0.050721
                0.388939
                0.824793
            ]
            [
                0.574008
                0.878594
                0.778925
            ]
            [
                0.092658
                0.45474
                0.554408
            ]
            [
                0.615946
                0.944394
                0.508541
            ]
            [
                0.972557
                0.155075
                0.542034
            ]
            [
                0.338219
                0.949279
                0.824793
            ]
            [
                0.182518
                0.027443
                0.542034
            ]
            [
                0.055606
                0.671552
                0.508541
            ]
            [
                0.844925
                0.817482
                0.542034
            ]
            [
                0.362081
                0.907342
                0.554408
            ]
            [
                0.980666
                0.243608
                0.61438
            ]
            [
                0.54526
                0.637919
                0.554408
            ]
            [
                0.262942
                0.019334
                0.61438
            ]
            [
                0.257032
                0.260596
                0.656114
            ]
            [
                0.286355
                0.492971
                0.697188
            ]
            [
                0.756392
                0.737058
                0.61438
            ]
            [
                0.739404
                0.996436
                0.656114
            ]
            [
                0.003564
                0.742968
                0.656114
            ]
            [
                0.093903
                0.182061
                0.719066
            ]
            [
                0.507029
                0.793384
                0.697188
            ]
            [
                0.817939
                0.911843
                0.719066
            ]
            [
                0.088157
                0.906097
                0.719066
            ]
            [
                0.206616
                0.713645
                0.697188
            ]
            [
                0.176579
                0.106321
                0.77951
            ]
            [
                0.893679
                0.070258
                0.77951
            ]
            [
                0.929742
                0.823421
                0.77951
            ]
        ]
    }
    "species" {
        "source-value" [
            "Hf"
            "Hf"
            "Hf"
            "Hf"
            "Hf"
            "Hf"
            "Hf"
            "Hf"
            "Hf"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Pb"
            "Pb"
            "Pb"
            "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" 10.93258528
        "source-unit" "angstrom"
    }
    "alpha" {
        "source-value" 90
        "source-unit" "degree"
    }
}