{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "I4_1/acd"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.75
                0.762963
                0.125
            ]
            [
                0.75
                0.737037
                0.625
            ]
            [
                0.75
                0.262963
                0.125
            ]
            [
                0.75
                0.237037
                0.625
            ]
            [
                0.762963
                0.25
                0.875
            ]
            [
                0.262963
                0.25
                0.875
            ]
            [
                0.237037
                0.75
                0.875
            ]
            [
                0.737037
                0.75
                0.875
            ]
            [
                0.25
                0.262963
                0.625
            ]
            [
                0.25
                0.237037
                0.125
            ]
            [
                0.25
                0.762963
                0.625
            ]
            [
                0.25
                0.737037
                0.125
            ]
            [
                0.262963
                0.75
                0.375
            ]
            [
                0.762963
                0.75
                0.375
            ]
            [
                0.737037
                0.25
                0.375
            ]
            [
                0.237037
                0.25
                0.375
            ]
            [
                0
                0
                0.808517
            ]
            [
                0.5
                0.5
                0.691483
            ]
            [
                0.5
                0.5
                0.808517
            ]
            [
                0
                0
                0.691483
            ]
            [
                0.5
                0
                0.941483
            ]
            [
                0.5
                0
                0.058517
            ]
            [
                0
                0.5
                0.058517
            ]
            [
                0
                0.5
                0.941483
            ]
            [
                0.5
                0.5
                0.308517
            ]
            [
                0
                0
                0.191483
            ]
            [
                0
                0
                0.308517
            ]
            [
                0.5
                0.5
                0.191483
            ]
            [
                0
                0.5
                0.441483
            ]
            [
                0
                0.5
                0.558517
            ]
            [
                0.5
                0
                0.558517
            ]
            [
                0.5
                0
                0.441483
            ]
            [
                0.001275
                0.224079
                0.999642
            ]
            [
                0.275921
                0.001275
                0.749642
            ]
            [
                0.275921
                0.498725
                0.000358
            ]
            [
                0.498725
                0.724079
                0.999642
            ]
            [
                0.775921
                0.498725
                0.749642
            ]
            [
                0.724079
                0.998725
                0.749642
            ]
            [
                0.498725
                0.775921
                0.750358
            ]
            [
                0.775921
                0.001275
                0.000358
            ]
            [
                0.224079
                0.998725
                0.000358
            ]
            [
                0.998725
                0.724079
                0.750358
            ]
            [
                0.501275
                0.275921
                0.999642
            ]
            [
                0.998725
                0.775921
                0.999642
            ]
            [
                0.001275
                0.275921
                0.750358
            ]
            [
                0.724079
                0.501275
                0.000358
            ]
            [
                0.224079
                0.501275
                0.749642
            ]
            [
                0.501275
                0.224079
                0.750358
            ]
            [
                0.501275
                0.724079
                0.499642
            ]
            [
                0.775921
                0.501275
                0.249642
            ]
            [
                0.775921
                0.998725
                0.500358
            ]
            [
                0.998725
                0.224079
                0.499642
            ]
            [
                0.275921
                0.998725
                0.249642
            ]
            [
                0.224079
                0.498725
                0.249642
            ]
            [
                0.998725
                0.275921
                0.250358
            ]
            [
                0.275921
                0.501275
                0.500358
            ]
            [
                0.724079
                0.498725
                0.500358
            ]
            [
                0.498725
                0.224079
                0.250358
            ]
            [
                0.001275
                0.775921
                0.499642
            ]
            [
                0.498725
                0.275921
                0.499642
            ]
            [
                0.501275
                0.775921
                0.250358
            ]
            [
                0.224079
                0.001275
                0.500358
            ]
            [
                0.724079
                0.001275
                0.249642
            ]
            [
                0.001275
                0.724079
                0.250358
            ]
            [
                0.307025
                0.534296
                0.690315
            ]
            [
                0.532055
                0.691594
                0.691558
            ]
            [
                0.308406
                0.467945
                0.808442
            ]
            [
                0.467945
                0.191594
                0.058442
            ]
            [
                0.126955
                0.628027
                0.76713
            ]
            [
                0.807025
                0.534296
                0.059685
            ]
            [
                0.373045
                0.128027
                0.76713
            ]
            [
                0.307025
                0.965704
                0.059685
            ]
            [
                0.691594
                0.967945
                0.941558
            ]
            [
                0.192975
                0.465704
                0.059685
            ]
            [
                0.873045
                0.371973
                0.76713
            ]
            [
                0.467945
                0.308406
                0.691558
            ]
            [
                0.308406
                0.032055
                0.941558
            ]
            [
                0.128027
                0.373045
                0.73287
            ]
            [
                0.965704
                0.692975
                0.940315
            ]
            [
                0.465704
                0.807025
                0.940315
            ]
            [
                0.628027
                0.126955
                0.73287
            ]
            [
                0.192975
                0.034296
                0.690315
            ]
            [
                0.032055
                0.691594
                0.058442
            ]
            [
                0.128027
                0.126955
                0.01713
            ]
            [
                0.871973
                0.626955
                0.73287
            ]
            [
                0.807025
                0.965704
                0.690315
            ]
            [
                0.692975
                0.034296
                0.059685
            ]
            [
                0.034296
                0.307025
                0.940315
            ]
            [
                0.373045
                0.371973
                0.98287
            ]
            [
                0.873045
                0.128027
                0.98287
            ]
            [
                0.032055
                0.808406
                0.691558
            ]
            [
                0.034296
                0.192975
                0.809685
            ]
            [
                0.534296
                0.192975
                0.940315
            ]
            [
                0.534296
                0.307025
                0.809685
            ]
            [
                0.967945
                0.308406
                0.058442
            ]
            [
                0.465704
                0.692975
                0.809685
            ]
            [
                0.965704
                0.807025
                0.809685
            ]
            [
                0.532055
                0.808406
                0.058442
            ]
            [
                0.626955
                0.871973
                0.76713
            ]
            [
                0.626955
                0.628027
                0.98287
            ]
            [
                0.691594
                0.532055
                0.808442
            ]
            [
                0.967945
                0.191594
                0.691558
            ]
            [
                0.371973
                0.873045
                0.73287
            ]
            [
                0.191594
                0.967945
                0.808442
            ]
            [
                0.628027
                0.373045
                0.01713
            ]
            [
                0.692975
                0.465704
                0.690315
            ]
            [
                0.871973
                0.873045
                0.01713
            ]
            [
                0.191594
                0.532055
                0.941558
            ]
            [
                0.371973
                0.626955
                0.01713
            ]
            [
                0.808406
                0.467945
                0.941558
            ]
            [
                0.808406
                0.032055
                0.808442
            ]
            [
                0.126955
                0.871973
                0.98287
            ]
            [
                0.807025
                0.034296
                0.190315
            ]
            [
                0.032055
                0.191594
                0.191558
            ]
            [
                0.808406
                0.967945
                0.308442
            ]
            [
                0.967945
                0.691594
                0.558442
            ]
            [
                0.626955
                0.128027
                0.26713
            ]
            [
                0.307025
                0.034296
                0.559685
            ]
            [
                0.873045
                0.628027
                0.26713
            ]
            [
                0.807025
                0.465704
                0.559685
            ]
            [
                0.191594
                0.467945
                0.441558
            ]
            [
                0.692975
                0.965704
                0.559685
            ]
            [
                0.373045
                0.871973
                0.26713
            ]
            [
                0.967945
                0.808406
                0.191558
            ]
            [
                0.808406
                0.532055
                0.441558
            ]
            [
                0.628027
                0.873045
                0.23287
            ]
            [
                0.465704
                0.192975
                0.440315
            ]
            [
                0.965704
                0.307025
                0.440315
            ]
            [
                0.128027
                0.626955
                0.23287
            ]
            [
                0.692975
                0.534296
                0.190315
            ]
            [
                0.532055
                0.191594
                0.558442
            ]
            [
                0.628027
                0.626955
                0.51713
            ]
            [
                0.371973
                0.126955
                0.23287
            ]
            [
                0.307025
                0.465704
                0.190315
            ]
            [
                0.192975
                0.534296
                0.559685
            ]
            [
                0.534296
                0.807025
                0.440315
            ]
            [
                0.873045
                0.871973
                0.48287
            ]
            [
                0.373045
                0.628027
                0.48287
            ]
            [
                0.532055
                0.308406
                0.191558
            ]
            [
                0.534296
                0.692975
                0.309685
            ]
            [
                0.034296
                0.692975
                0.440315
            ]
            [
                0.034296
                0.807025
                0.309685
            ]
            [
                0.467945
                0.808406
                0.558442
            ]
            [
                0.965704
                0.192975
                0.309685
            ]
            [
                0.465704
                0.307025
                0.309685
            ]
            [
                0.032055
                0.308406
                0.558442
            ]
            [
                0.126955
                0.371973
                0.26713
            ]
            [
                0.126955
                0.128027
                0.48287
            ]
            [
                0.191594
                0.032055
                0.308442
            ]
            [
                0.467945
                0.691594
                0.191558
            ]
            [
                0.871973
                0.373045
                0.23287
            ]
            [
                0.691594
                0.467945
                0.308442
            ]
            [
                0.128027
                0.873045
                0.51713
            ]
            [
                0.192975
                0.965704
                0.190315
            ]
            [
                0.371973
                0.373045
                0.51713
            ]
            [
                0.691594
                0.032055
                0.441558
            ]
            [
                0.871973
                0.126955
                0.51713
            ]
            [
                0.308406
                0.967945
                0.441558
            ]
            [
                0.308406
                0.532055
                0.308442
            ]
            [
                0.626955
                0.371973
                0.48287
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Cu"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "Si"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "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" 10.0734126073
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 22.8791796348
        "source-unit" "angstrom"
    }
}