{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "Cmce"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.666687
                0
                0.912254
            ]
            [
                0.833313
                0
                0.412254
            ]
            [
                0.166687
                0
                0.587746
            ]
            [
                0.333313
                0
                0.087746
            ]
            [
                0.166687
                0.5
                0.912254
            ]
            [
                0.333313
                0.5
                0.412254
            ]
            [
                0.666687
                0.5
                0.587746
            ]
            [
                0.833313
                0.5
                0.087746
            ]
            [
                0.927957
                0.629618
                0.325942
            ]
            [
                0.072043
                0.870382
                0.825942
            ]
            [
                0.927957
                0.870382
                0.174058
            ]
            [
                0.072043
                0.629618
                0.674058
            ]
            [
                0.072043
                0.370382
                0.674058
            ]
            [
                0.927957
                0.129618
                0.174058
            ]
            [
                0.072043
                0.129618
                0.825942
            ]
            [
                0.927957
                0.370382
                0.325942
            ]
            [
                0
                0.243974
                0.5
            ]
            [
                0
                0.256026
                0
            ]
            [
                0
                0.756026
                0.5
            ]
            [
                0
                0.743974
                0
            ]
            [
                0.174
                0.252276
                0.153182
            ]
            [
                0.826
                0.247724
                0.653182
            ]
            [
                0.174
                0.247724
                0.346818
            ]
            [
                0.826
                0.252276
                0.846818
            ]
            [
                0.826
                0.747724
                0.846818
            ]
            [
                0.174
                0.752276
                0.346818
            ]
            [
                0.826
                0.752276
                0.653182
            ]
            [
                0.174
                0.747724
                0.153182
            ]
            [
                0.5
                0
                0.5
            ]
            [
                0
                0
                0
            ]
            [
                0.832756
                0
                0.666577
            ]
            [
                0.667244
                0
                0.166577
            ]
            [
                0.332756
                0
                0.833423
            ]
            [
                0.167244
                0
                0.333423
            ]
            [
                0.427957
                0.129618
                0.325942
            ]
            [
                0.572043
                0.370382
                0.825942
            ]
            [
                0.427957
                0.370382
                0.174058
            ]
            [
                0.572043
                0.129618
                0.674058
            ]
            [
                0.572043
                0.870382
                0.674058
            ]
            [
                0.427957
                0.629618
                0.174058
            ]
            [
                0.572043
                0.629618
                0.825942
            ]
            [
                0.427957
                0.870382
                0.325942
            ]
            [
                0.5
                0.743974
                0.5
            ]
            [
                0.5
                0.756026
                0
            ]
            [
                0.5
                0.256026
                0.5
            ]
            [
                0.5
                0.243974
                0
            ]
            [
                0.674
                0.752276
                0.153182
            ]
            [
                0.326
                0.747724
                0.653182
            ]
            [
                0.674
                0.747724
                0.346818
            ]
            [
                0.326
                0.752276
                0.846818
            ]
            [
                0.326
                0.247724
                0.846818
            ]
            [
                0.674
                0.252276
                0.346818
            ]
            [
                0.326
                0.252276
                0.653182
            ]
            [
                0.674
                0.247724
                0.153182
            ]
            [
                0
                0.5
                0.5
            ]
            [
                0.5
                0.5
                0
            ]
            [
                0.332756
                0.5
                0.666577
            ]
            [
                0.167244
                0.5
                0.166577
            ]
            [
                0.832756
                0.5
                0.833423
            ]
            [
                0.667244
                0.5
                0.333423
            ]
            [
                0.092368
                0.120812
                0.420059
            ]
            [
                0.907632
                0.379188
                0.920059
            ]
            [
                0.092368
                0.379188
                0.079941
            ]
            [
                0.907632
                0.120812
                0.579941
            ]
            [
                0.907632
                0.879188
                0.579941
            ]
            [
                0.092368
                0.620812
                0.079941
            ]
            [
                0.907632
                0.620812
                0.920059
            ]
            [
                0.092368
                0.879188
                0.420059
            ]
            [
                0.253688
                0.128484
                0.252342
            ]
            [
                0.246312
                0.871516
                0.752342
            ]
            [
                0.753688
                0.871516
                0.247658
            ]
            [
                0.746312
                0.128484
                0.747658
            ]
            [
                0.746312
                0.871516
                0.747658
            ]
            [
                0.753688
                0.128484
                0.247658
            ]
            [
                0.246312
                0.128484
                0.752342
            ]
            [
                0.253688
                0.871516
                0.252342
            ]
            [
                0.65775
                0
                0.594229
            ]
            [
                0.84225
                0
                0.094229
            ]
            [
                0.15775
                0
                0.905771
            ]
            [
                0.34225
                0
                0.405771
            ]
            [
                0.08854
                0.124145
                0.080013
            ]
            [
                0.91146
                0.375855
                0.580013
            ]
            [
                0.08854
                0.375855
                0.419987
            ]
            [
                0.91146
                0.124145
                0.919987
            ]
            [
                0.91146
                0.875855
                0.919987
            ]
            [
                0.08854
                0.624145
                0.419987
            ]
            [
                0.91146
                0.624145
                0.580013
            ]
            [
                0.08854
                0.875855
                0.080013
            ]
            [
                0.020729
                0.25
                0.25
            ]
            [
                0.979271
                0.25
                0.75
            ]
            [
                0.848419
                0.250101
                0.410175
            ]
            [
                0.151581
                0.249899
                0.910175
            ]
            [
                0.848419
                0.249899
                0.089825
            ]
            [
                0.151581
                0.250101
                0.589825
            ]
            [
                0.151581
                0.749899
                0.589825
            ]
            [
                0.848419
                0.750101
                0.089825
            ]
            [
                0.151581
                0.750101
                0.910175
            ]
            [
                0.848419
                0.749899
                0.410175
            ]
            [
                0.004332
                0
                0.251722
            ]
            [
                0.495668
                0
                0.751722
            ]
            [
                0.504332
                0
                0.248278
            ]
            [
                0.995668
                0
                0.748278
            ]
            [
                0.020729
                0.75
                0.25
            ]
            [
                0.979271
                0.75
                0.75
            ]
            [
                0.592368
                0.620812
                0.420059
            ]
            [
                0.407632
                0.879188
                0.920059
            ]
            [
                0.592368
                0.879188
                0.079941
            ]
            [
                0.407632
                0.620812
                0.579941
            ]
            [
                0.407632
                0.379188
                0.579941
            ]
            [
                0.592368
                0.120812
                0.079941
            ]
            [
                0.407632
                0.120812
                0.920059
            ]
            [
                0.592368
                0.379188
                0.420059
            ]
            [
                0.753688
                0.628484
                0.252342
            ]
            [
                0.746312
                0.371516
                0.752342
            ]
            [
                0.253688
                0.371516
                0.247658
            ]
            [
                0.246312
                0.628484
                0.747658
            ]
            [
                0.246312
                0.371516
                0.747658
            ]
            [
                0.253688
                0.628484
                0.247658
            ]
            [
                0.746312
                0.628484
                0.752342
            ]
            [
                0.753688
                0.371516
                0.252342
            ]
            [
                0.15775
                0.5
                0.594229
            ]
            [
                0.34225
                0.5
                0.094229
            ]
            [
                0.65775
                0.5
                0.905771
            ]
            [
                0.84225
                0.5
                0.405771
            ]
            [
                0.58854
                0.624145
                0.080013
            ]
            [
                0.41146
                0.875855
                0.580013
            ]
            [
                0.58854
                0.875855
                0.419987
            ]
            [
                0.41146
                0.624145
                0.919987
            ]
            [
                0.41146
                0.375855
                0.919987
            ]
            [
                0.58854
                0.124145
                0.419987
            ]
            [
                0.41146
                0.124145
                0.580013
            ]
            [
                0.58854
                0.375855
                0.080013
            ]
            [
                0.520729
                0.75
                0.25
            ]
            [
                0.479271
                0.75
                0.75
            ]
            [
                0.348419
                0.750101
                0.410175
            ]
            [
                0.651581
                0.749899
                0.910175
            ]
            [
                0.348419
                0.749899
                0.089825
            ]
            [
                0.651581
                0.750101
                0.589825
            ]
            [
                0.651581
                0.249899
                0.589825
            ]
            [
                0.348419
                0.250101
                0.089825
            ]
            [
                0.651581
                0.250101
                0.910175
            ]
            [
                0.348419
                0.249899
                0.410175
            ]
            [
                0.504332
                0.5
                0.251722
            ]
            [
                0.995668
                0.5
                0.751722
            ]
            [
                0.004332
                0.5
                0.248278
            ]
            [
                0.495668
                0.5
                0.748278
            ]
            [
                0.520729
                0.25
                0.25
            ]
            [
                0.479271
                0.25
                0.75
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "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" 10.0802349238
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 11.7149664561
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 14.22865245
        "source-unit" "angstrom"
    }
}