{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "Pbcn"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.797221
                0.654636
                0.266915
            ]
            [
                0.797221
                0.154636
                0.733085
            ]
            [
                0.768685
                0.633457
                0.995881
            ]
            [
                0.768685
                0.133457
                0.004119
            ]
            [
                0.769156
                0.437302
                0.119176
            ]
            [
                0.769156
                0.937302
                0.880824
            ]
            [
                0.730844
                0.937302
                0.380824
            ]
            [
                0.730844
                0.437302
                0.619176
            ]
            [
                0.731315
                0.633457
                0.495881
            ]
            [
                0.731315
                0.133457
                0.504119
            ]
            [
                0.702779
                0.154636
                0.233085
            ]
            [
                0.702779
                0.654636
                0.766915
            ]
            [
                0.297221
                0.345364
                0.233085
            ]
            [
                0.297221
                0.845364
                0.766915
            ]
            [
                0.268685
                0.866543
                0.495881
            ]
            [
                0.268685
                0.366543
                0.504119
            ]
            [
                0.269156
                0.562698
                0.380824
            ]
            [
                0.269156
                0.062698
                0.619176
            ]
            [
                0.230844
                0.562698
                0.880824
            ]
            [
                0.230844
                0.062698
                0.119176
            ]
            [
                0.231315
                0.866543
                0.995881
            ]
            [
                0.231315
                0.366543
                0.004119
            ]
            [
                0.202779
                0.845364
                0.266915
            ]
            [
                0.202779
                0.345364
                0.733085
            ]
            [
                0.758227
                0.391187
                0.368458
            ]
            [
                0.758227
                0.891187
                0.631542
            ]
            [
                0.741773
                0.891187
                0.131542
            ]
            [
                0.741773
                0.391187
                0.868458
            ]
            [
                0.258227
                0.608813
                0.131542
            ]
            [
                0.258227
                0.108813
                0.868458
            ]
            [
                0.241773
                0.108813
                0.368458
            ]
            [
                0.241773
                0.608813
                0.631542
            ]
            [
                0
                0.75
                0.40136
            ]
            [
                0
                0.25
                0.11647
            ]
            [
                0
                0.75
                0.88353
            ]
            [
                0
                0.25
                0.59864
            ]
            [
                0.5
                0.25
                0.61647
            ]
            [
                0.5
                0.25
                0.09864
            ]
            [
                0.5
                0.75
                0.90136
            ]
            [
                0.5
                0.75
                0.38353
            ]
            [
                0.970962
                0.646729
                0.676784
            ]
            [
                0.970962
                0.146729
                0.323216
            ]
            [
                0.956336
                0.573847
                0.598834
            ]
            [
                0.956336
                0.073847
                0.401166
            ]
            [
                0.543664
                0.573847
                0.098834
            ]
            [
                0.543664
                0.073847
                0.901166
            ]
            [
                0.529038
                0.646729
                0.176784
            ]
            [
                0.529038
                0.146729
                0.823216
            ]
            [
                0.470962
                0.853271
                0.176784
            ]
            [
                0.470962
                0.353271
                0.823216
            ]
            [
                0.456336
                0.926153
                0.098834
            ]
            [
                0.456336
                0.426153
                0.901166
            ]
            [
                0.043664
                0.426153
                0.401166
            ]
            [
                0.043664
                0.926153
                0.598834
            ]
            [
                0.029038
                0.353271
                0.323216
            ]
            [
                0.029038
                0.853271
                0.676784
            ]
            [
                0.960657
                0.66319
                0.3998
            ]
            [
                0.960657
                0.16319
                0.6002
            ]
            [
                0.978166
                0.161712
                0.115623
            ]
            [
                0.978166
                0.661712
                0.884377
            ]
            [
                0.948437
                0.592487
                0.13229
            ]
            [
                0.948437
                0.092487
                0.86771
            ]
            [
                0.81786
                0.801997
                0.242144
            ]
            [
                0.81786
                0.301997
                0.757856
            ]
            [
                0.786769
                0.982294
                0.017431
            ]
            [
                0.786769
                0.482294
                0.982569
            ]
            [
                0.777707
                0.774827
                0.046286
            ]
            [
                0.777707
                0.274827
                0.953714
            ]
            [
                0.752913
                0.006193
                0.222503
            ]
            [
                0.752913
                0.506193
                0.777497
            ]
            [
                0.747087
                0.506193
                0.277497
            ]
            [
                0.747087
                0.006193
                0.722503
            ]
            [
                0.722293
                0.274827
                0.453714
            ]
            [
                0.722293
                0.774827
                0.546286
            ]
            [
                0.713231
                0.982294
                0.517431
            ]
            [
                0.713231
                0.482294
                0.482569
            ]
            [
                0.68214
                0.301997
                0.257856
            ]
            [
                0.68214
                0.801997
                0.742144
            ]
            [
                0.551563
                0.592487
                0.63229
            ]
            [
                0.551563
                0.092487
                0.36771
            ]
            [
                0.521834
                0.161712
                0.615623
            ]
            [
                0.521834
                0.661712
                0.384377
            ]
            [
                0.539343
                0.16319
                0.1002
            ]
            [
                0.539343
                0.66319
                0.8998
            ]
            [
                0.460657
                0.33681
                0.1002
            ]
            [
                0.460657
                0.83681
                0.8998
            ]
            [
                0.478166
                0.338288
                0.615623
            ]
            [
                0.478166
                0.838288
                0.384377
            ]
            [
                0.448437
                0.907513
                0.63229
            ]
            [
                0.448437
                0.407513
                0.36771
            ]
            [
                0.31786
                0.198003
                0.257856
            ]
            [
                0.31786
                0.698003
                0.742144
            ]
            [
                0.286769
                0.017706
                0.482569
            ]
            [
                0.286769
                0.517706
                0.517431
            ]
            [
                0.277707
                0.225173
                0.453714
            ]
            [
                0.277707
                0.725173
                0.546286
            ]
            [
                0.252913
                0.493807
                0.722503
            ]
            [
                0.252913
                0.993807
                0.277497
            ]
            [
                0.247087
                0.493807
                0.222503
            ]
            [
                0.247087
                0.993807
                0.777497
            ]
            [
                0.222293
                0.725173
                0.046286
            ]
            [
                0.222293
                0.225173
                0.953714
            ]
            [
                0.213231
                0.517706
                0.017431
            ]
            [
                0.213231
                0.017706
                0.982569
            ]
            [
                0.18214
                0.698003
                0.242144
            ]
            [
                0.18214
                0.198003
                0.757856
            ]
            [
                0.051563
                0.907513
                0.13229
            ]
            [
                0.051563
                0.407513
                0.86771
            ]
            [
                0.021834
                0.338288
                0.115623
            ]
            [
                0.021834
                0.838288
                0.884377
            ]
            [
                0.039344
                0.83681
                0.3998
            ]
            [
                0.039344
                0.33681
                0.6002
            ]
        ]
    }
    "species" {
        "source-value" [
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
            "F"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 6.56382034
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 13.00190049
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 14.25184531
        "source-unit" "angstrom"
    }
}