{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "I-42d"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.644229
                0.349129
                0.574771
            ]
            [
                0.099792
                0.084714
                0.800271
            ]
            [
                0.808711
                0.995717
                0.500777
            ]
            [
                0
                0.5
                0.654222
            ]
            [
                0.504283
                0.308711
                0.999223
            ]
            [
                0.5
                0.5
                0.904222
            ]
            [
                0.495717
                0.691289
                0.999223
            ]
            [
                0
                0.5
                0.845778
            ]
            [
                0.40369
                0.387502
                0.797648
            ]
            [
                0.004283
                0.691289
                0.750777
            ]
            [
                0.112498
                0.90369
                0.702352
            ]
            [
                0.349129
                0.144229
                0.824771
            ]
            [
                0.150871
                0.144229
                0.925229
            ]
            [
                0.191289
                0.495717
                0.749223
            ]
            [
                0.355771
                0.650871
                0.574771
            ]
            [
                0.191289
                0.004283
                0.500777
            ]
            [
                0.09631
                0.387502
                0.952352
            ]
            [
                0.599792
                0.915286
                0.949729
            ]
            [
                0.415286
                0.900208
                0.550271
            ]
            [
                0.650871
                0.855771
                0.824771
            ]
            [
                0.887502
                0.40369
                0.547648
            ]
            [
                0.900208
                0.915286
                0.800271
            ]
            [
                0.644229
                0.150871
                0.675229
            ]
            [
                0.59631
                0.612498
                0.797648
            ]
            [
                0.584714
                0.099792
                0.550271
            ]
            [
                0.400208
                0.084714
                0.949729
            ]
            [
                0.415286
                0.599792
                0.699729
            ]
            [
                0.5
                0
                0.75
            ]
            [
                0.584714
                0.400208
                0.699729
            ]
            [
                0.355771
                0.849129
                0.675229
            ]
            [
                0.808711
                0.504283
                0.749223
            ]
            [
                0
                0
                0.595778
            ]
            [
                0.887502
                0.09631
                0.702352
            ]
            [
                0.90369
                0.612498
                0.952352
            ]
            [
                0.995717
                0.308711
                0.750777
            ]
            [
                0.5
                0.5
                0.5
            ]
            [
                0.112498
                0.59631
                0.547648
            ]
            [
                0.849129
                0.855771
                0.925229
            ]
            [
                0.144229
                0.849129
                0.074771
            ]
            [
                0.599792
                0.584714
                0.300271
            ]
            [
                0.308711
                0.495717
                0.000777
            ]
            [
                0.5
                0
                0.154222
            ]
            [
                0.004283
                0.808711
                0.499223
            ]
            [
                0
                0
                0.404222
            ]
            [
                0.995717
                0.191289
                0.499223
            ]
            [
                0.5
                0
                0.345778
            ]
            [
                0.90369
                0.887502
                0.297648
            ]
            [
                0.504283
                0.191289
                0.250777
            ]
            [
                0.612498
                0.40369
                0.202352
            ]
            [
                0.849129
                0.644229
                0.324771
            ]
            [
                0.650871
                0.644229
                0.425229
            ]
            [
                0.691289
                0.995717
                0.249223
            ]
            [
                0.855771
                0.150871
                0.074771
            ]
            [
                0.691289
                0.504283
                0.000777
            ]
            [
                0.59631
                0.887502
                0.452352
            ]
            [
                0.099792
                0.415286
                0.449729
            ]
            [
                0.915286
                0.400208
                0.050271
            ]
            [
                0.150871
                0.355771
                0.324771
            ]
            [
                0.387502
                0.90369
                0.047648
            ]
            [
                0.400208
                0.415286
                0.300271
            ]
            [
                0.144229
                0.650871
                0.175229
            ]
            [
                0.09631
                0.112498
                0.297648
            ]
            [
                0.084714
                0.599792
                0.050271
            ]
            [
                0.900208
                0.584714
                0.449729
            ]
            [
                0.915286
                0.099792
                0.199729
            ]
            [
                0
                0.5
                0.25
            ]
            [
                0.084714
                0.900208
                0.199729
            ]
            [
                0.855771
                0.349129
                0.175229
            ]
            [
                0.308711
                0.004283
                0.249223
            ]
            [
                0.5
                0.5
                0.095778
            ]
            [
                0.387502
                0.59631
                0.202352
            ]
            [
                0.40369
                0.112498
                0.452352
            ]
            [
                0.495717
                0.808711
                0.250777
            ]
            [
                0
                0
                0
            ]
            [
                0.612498
                0.09631
                0.047648
            ]
            [
                0.349129
                0.355771
                0.425229
            ]
            [
                0.325521
                0.31658
                0.91231
            ]
            [
                0.562899
                0.217693
                0.782096
            ]
            [
                0.884414
                0.861625
                0.680985
            ]
            [
                0.75
                0.046125
                0.875
            ]
            [
                0.846112
                0.819631
                0.590029
            ]
            [
                0.861625
                0.384414
                0.930985
            ]
            [
                0.717693
                0.562899
                0.532096
            ]
            [
                0.18342
                0.674479
                0.66231
            ]
            [
                0.481513
                0.736029
                0.880362
            ]
            [
                0.018487
                0.736029
                0.869638
            ]
            [
                0.25
                0.953875
                0.875
            ]
            [
                0.180369
                0.653888
                0.840029
            ]
            [
                0.424854
                0.06527
                0.643253
            ]
            [
                0.680369
                0.346112
                0.909971
            ]
            [
                0.637357
                0.161048
                0.93229
            ]
            [
                0.286566
                0.186343
                0.656028
            ]
            [
                0.313657
                0.786566
                0.843972
            ]
            [
                0.769395
                0.754916
                0.509269
            ]
            [
                0.361625
                0.615586
                0.819015
            ]
            [
                0.209845
                0.922243
                0.966028
            ]
            [
                0.338952
                0.362643
                0.68229
            ]
            [
                0.290155
                0.922243
                0.783972
            ]
            [
                0.813657
                0.213434
                0.906028
            ]
            [
                0.763971
                0.518487
                0.630362
            ]
            [
                0.437101
                0.782307
                0.782096
            ]
            [
                0.81658
                0.325521
                0.66231
            ]
            [
                0.115586
                0.361625
                0.569015
            ]
            [
                0.115586
                0.138375
                0.680985
            ]
            [
                0.846112
                0.680369
                0.659971
            ]
            [
                0.286566
                0.313657
                0.593972
            ]
            [
                0.138375
                0.615586
                0.930985
            ]
            [
                0.577757
                0.709845
                0.533972
            ]
            [
                0.661048
                0.862643
                0.56771
            ]
            [
                0.25
                0.489752
                0.875
            ]
            [
                0.282307
                0.062899
                0.717904
            ]
            [
                0.236029
                0.481513
                0.630362
            ]
            [
                0.713434
                0.686343
                0.593972
            ]
            [
                0.937101
                0.217693
                0.967904
            ]
            [
                0.81658
                0.174479
                0.58769
            ]
            [
                0.06527
                0.924854
                0.893253
            ]
            [
                0.661048
                0.637357
                0.68229
            ]
            [
                0.862643
                0.161048
                0.81771
            ]
            [
                0.638375
                0.384414
                0.819015
            ]
            [
                0.717693
                0.937101
                0.717904
            ]
            [
                0.981513
                0.263971
                0.869638
            ]
            [
                0.75
                0.510248
                0.875
            ]
            [
                0.790155
                0.077757
                0.966028
            ]
            [
                0.422243
                0.209845
                0.716028
            ]
            [
                0.230605
                0.254916
                0.740731
            ]
            [
                0.338952
                0.137357
                0.56771
            ]
            [
                0.713434
                0.813657
                0.656028
            ]
            [
                0.153888
                0.180369
                0.590029
            ]
            [
                0.686343
                0.213434
                0.843972
            ]
            [
                0.56527
                0.075146
                0.856747
            ]
            [
                0.174479
                0.31658
                0.83769
            ]
            [
                0.236029
                0.018487
                0.619638
            ]
            [
                0.010248
                0.75
                0.625
            ]
            [
                0.282307
                0.437101
                0.532096
            ]
            [
                0.577757
                0.790155
                0.716028
            ]
            [
                0.884414
                0.638375
                0.569015
            ]
            [
                0.137357
                0.838952
                0.81771
            ]
            [
                0.230605
                0.245084
                0.509269
            ]
            [
                0.362643
                0.838952
                0.93229
            ]
            [
                0.763971
                0.981513
                0.619638
            ]
            [
                0.546125
                0.75
                0.625
            ]
            [
                0.453875
                0.25
                0.625
            ]
            [
                0.575146
                0.56527
                0.606747
            ]
            [
                0.062899
                0.782307
                0.967904
            ]
            [
                0.186343
                0.786566
                0.906028
            ]
            [
                0.575146
                0.93473
                0.643253
            ]
            [
                0.422243
                0.290155
                0.533972
            ]
            [
                0.245084
                0.730605
                0.759269
            ]
            [
                0.93473
                0.075146
                0.893253
            ]
            [
                0.254916
                0.730605
                0.990731
            ]
            [
                0.153888
                0.319631
                0.659971
            ]
            [
                0.674479
                0.68342
                0.91231
            ]
            [
                0.424854
                0.43473
                0.606747
            ]
            [
                0.18342
                0.825521
                0.58769
            ]
            [
                0.754916
                0.269395
                0.759269
            ]
            [
                0.709845
                0.077757
                0.783972
            ]
            [
                0.745084
                0.269395
                0.990731
            ]
            [
                0.819631
                0.346112
                0.840029
            ]
            [
                0.43473
                0.924854
                0.856747
            ]
            [
                0.769395
                0.745084
                0.740731
            ]
            [
                0.518487
                0.263971
                0.880362
            ]
            [
                0.319631
                0.653888
                0.909971
            ]
            [
                0.989752
                0.25
                0.625
            ]
            [
                0.825521
                0.68342
                0.83769
            ]
            [
                0.825521
                0.81658
                0.41231
            ]
            [
                0.062899
                0.717693
                0.282096
            ]
            [
                0.384414
                0.361625
                0.180985
            ]
            [
                0.25
                0.546125
                0.375
            ]
            [
                0.346112
                0.319631
                0.090029
            ]
            [
                0.361625
                0.884414
                0.430985
            ]
            [
                0.217693
                0.062899
                0.032096
            ]
            [
                0.68342
                0.174479
                0.16231
            ]
            [
                0.981513
                0.236029
                0.380362
            ]
            [
                0.518487
                0.236029
                0.369638
            ]
            [
                0.75
                0.453875
                0.375
            ]
            [
                0.680369
                0.153888
                0.340029
            ]
            [
                0.924854
                0.56527
                0.143253
            ]
            [
                0.180369
                0.846112
                0.409971
            ]
            [
                0.137357
                0.661048
                0.43229
            ]
            [
                0.786566
                0.686343
                0.156028
            ]
            [
                0.813657
                0.286566
                0.343972
            ]
            [
                0.269395
                0.254916
                0.009269
            ]
            [
                0.861625
                0.115586
                0.319015
            ]
            [
                0.709845
                0.422243
                0.466028
            ]
            [
                0.838952
                0.862643
                0.18229
            ]
            [
                0.790155
                0.422243
                0.283972
            ]
            [
                0.313657
                0.713434
                0.406028
            ]
            [
                0.263971
                0.018487
                0.130362
            ]
            [
                0.937101
                0.282307
                0.282096
            ]
            [
                0.31658
                0.825521
                0.16231
            ]
            [
                0.615586
                0.861625
                0.069015
            ]
            [
                0.615586
                0.638375
                0.180985
            ]
            [
                0.346112
                0.180369
                0.159971
            ]
            [
                0.786566
                0.813657
                0.093972
            ]
            [
                0.638375
                0.115586
                0.430985
            ]
            [
                0.077757
                0.209845
                0.033972
            ]
            [
                0.161048
                0.362643
                0.06771
            ]
            [
                0.75
                0.989752
                0.375
            ]
            [
                0.782307
                0.562899
                0.217904
            ]
            [
                0.736029
                0.981513
                0.130362
            ]
            [
                0.213434
                0.186343
                0.093972
            ]
            [
                0.437101
                0.717693
                0.467904
            ]
            [
                0.31658
                0.674479
                0.08769
            ]
            [
                0.56527
                0.424854
                0.393253
            ]
            [
                0.161048
                0.137357
                0.18229
            ]
            [
                0.362643
                0.661048
                0.31771
            ]
            [
                0.138375
                0.884414
                0.319015
            ]
            [
                0.217693
                0.437101
                0.217904
            ]
            [
                0.481513
                0.763971
                0.369638
            ]
            [
                0.25
                0.010248
                0.375
            ]
            [
                0.290155
                0.577757
                0.466028
            ]
            [
                0.922243
                0.709845
                0.216028
            ]
            [
                0.730605
                0.754916
                0.240731
            ]
            [
                0.838952
                0.637357
                0.06771
            ]
            [
                0.213434
                0.313657
                0.156028
            ]
            [
                0.653888
                0.680369
                0.090029
            ]
            [
                0.186343
                0.713434
                0.343972
            ]
            [
                0.06527
                0.575146
                0.356747
            ]
            [
                0.674479
                0.81658
                0.33769
            ]
            [
                0.736029
                0.518487
                0.119638
            ]
            [
                0.510248
                0.25
                0.125
            ]
            [
                0.782307
                0.937101
                0.032096
            ]
            [
                0.077757
                0.290155
                0.216028
            ]
            [
                0.384414
                0.138375
                0.069015
            ]
            [
                0.637357
                0.338952
                0.31771
            ]
            [
                0.730605
                0.745084
                0.009269
            ]
            [
                0.862643
                0.338952
                0.43229
            ]
            [
                0.263971
                0.481513
                0.119638
            ]
            [
                0.046125
                0.25
                0.125
            ]
            [
                0.953875
                0.75
                0.125
            ]
            [
                0.075146
                0.06527
                0.106747
            ]
            [
                0.562899
                0.282307
                0.467904
            ]
            [
                0.686343
                0.286566
                0.406028
            ]
            [
                0.075146
                0.43473
                0.143253
            ]
            [
                0.922243
                0.790155
                0.033972
            ]
            [
                0.745084
                0.230605
                0.259269
            ]
            [
                0.43473
                0.575146
                0.393253
            ]
            [
                0.754916
                0.230605
                0.490731
            ]
            [
                0.653888
                0.819631
                0.159971
            ]
            [
                0.174479
                0.18342
                0.41231
            ]
            [
                0.924854
                0.93473
                0.106747
            ]
            [
                0.68342
                0.325521
                0.08769
            ]
            [
                0.254916
                0.769395
                0.259269
            ]
            [
                0.209845
                0.577757
                0.283972
            ]
            [
                0.245084
                0.769395
                0.490731
            ]
            [
                0.319631
                0.846112
                0.340029
            ]
            [
                0.93473
                0.424854
                0.356747
            ]
            [
                0.269395
                0.245084
                0.240731
            ]
            [
                0.018487
                0.763971
                0.380362
            ]
            [
                0.819631
                0.153888
                0.409971
            ]
            [
                0.489752
                0.75
                0.125
            ]
            [
                0.325521
                0.18342
                0.33769
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 16.2270866165
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 32.1854451472
        "source-unit" "angstrom"
    }
}