{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "C2/c"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.191351
                0.875301
                0.511341
            ]
            [
                0.923192
                0.169167
                0.608071
            ]
            [
                0.004834
                0.337646
                0.524914
            ]
            [
                0.076808
                0.830833
                0.391929
            ]
            [
                0.808649
                0.875301
                0.988659
            ]
            [
                0.808649
                0.124699
                0.488659
            ]
            [
                0.923192
                0.830833
                0.108071
            ]
            [
                0.995166
                0.662354
                0.475086
            ]
            [
                0.004834
                0.662354
                0.024914
            ]
            [
                0.191351
                0.124699
                0.011341
            ]
            [
                0.076808
                0.169167
                0.891929
            ]
            [
                0.995166
                0.337646
                0.975086
            ]
            [
                0.691351
                0.375301
                0.511341
            ]
            [
                0.423192
                0.669167
                0.608071
            ]
            [
                0.504834
                0.837646
                0.524914
            ]
            [
                0.576808
                0.330833
                0.391929
            ]
            [
                0.308649
                0.375301
                0.988659
            ]
            [
                0.308649
                0.624699
                0.488659
            ]
            [
                0.423192
                0.330833
                0.108071
            ]
            [
                0.495166
                0.162354
                0.475086
            ]
            [
                0.504834
                0.162354
                0.024914
            ]
            [
                0.691351
                0.624699
                0.011341
            ]
            [
                0.576808
                0.669167
                0.891929
            ]
            [
                0.495166
                0.837646
                0.975086
            ]
            [
                0.67655
                0.927417
                0.356194
            ]
            [
                0
                0.952993
                0.75
            ]
            [
                0.32345
                0.927417
                0.143806
            ]
            [
                0.67655
                0.072583
                0.856194
            ]
            [
                0.32345
                0.072583
                0.643806
            ]
            [
                0
                0.047007
                0.25
            ]
            [
                0.17655
                0.427417
                0.356194
            ]
            [
                0.5
                0.452993
                0.75
            ]
            [
                0.82345
                0.427417
                0.143806
            ]
            [
                0.17655
                0.572583
                0.856194
            ]
            [
                0.82345
                0.572583
                0.643806
            ]
            [
                0.5
                0.547007
                0.25
            ]
            [
                0
                0.695991
                0.25
            ]
            [
                0
                0.304009
                0.75
            ]
            [
                0.5
                0.195991
                0.25
            ]
            [
                0.5
                0.804009
                0.75
            ]
            [
                0.186703
                0.873657
                0.773411
            ]
            [
                0.813297
                0.126343
                0.226589
            ]
            [
                0.175385
                0.018331
                0.933664
            ]
            [
                0.186703
                0.126343
                0.273411
            ]
            [
                0.369769
                0.892823
                0.505944
            ]
            [
                0.870542
                0.28747
                0.018525
            ]
            [
                0.576053
                0.064877
                0.102653
            ]
            [
                0.175385
                0.981669
                0.433664
            ]
            [
                0.423947
                0.935123
                0.897347
            ]
            [
                0.20795
                0.800833
                0.309867
            ]
            [
                0.075536
                0.242806
                0.098046
            ]
            [
                0.129458
                0.28747
                0.481475
            ]
            [
                0.075536
                0.757194
                0.598046
            ]
            [
                0.044365
                0.896612
                0.100145
            ]
            [
                0.955635
                0.896612
                0.399855
            ]
            [
                0.369769
                0.107177
                0.005944
            ]
            [
                0.824615
                0.018331
                0.566336
            ]
            [
                0.044365
                0.103388
                0.600145
            ]
            [
                0.79205
                0.800833
                0.190133
            ]
            [
                0
                0.614466
                0.75
            ]
            [
                0.870542
                0.71253
                0.518525
            ]
            [
                0.924464
                0.242806
                0.401954
            ]
            [
                0
                0.385534
                0.25
            ]
            [
                0.20795
                0.199167
                0.809867
            ]
            [
                0.576053
                0.935123
                0.602653
            ]
            [
                0.824615
                0.981669
                0.066336
            ]
            [
                0.79205
                0.199167
                0.690133
            ]
            [
                0.423947
                0.064877
                0.397347
            ]
            [
                0.630231
                0.892823
                0.994056
            ]
            [
                0.630231
                0.107177
                0.494056
            ]
            [
                0.129458
                0.71253
                0.981475
            ]
            [
                0.955635
                0.103388
                0.899855
            ]
            [
                0.924464
                0.757194
                0.901954
            ]
            [
                0.813297
                0.873657
                0.726589
            ]
            [
                0.686703
                0.373657
                0.773411
            ]
            [
                0.313297
                0.626343
                0.226589
            ]
            [
                0.675385
                0.518331
                0.933664
            ]
            [
                0.686703
                0.626343
                0.273411
            ]
            [
                0.869769
                0.392823
                0.505944
            ]
            [
                0.370542
                0.78747
                0.018525
            ]
            [
                0.076053
                0.564877
                0.102653
            ]
            [
                0.675385
                0.481669
                0.433664
            ]
            [
                0.923947
                0.435123
                0.897347
            ]
            [
                0.70795
                0.300833
                0.309867
            ]
            [
                0.575536
                0.742806
                0.098046
            ]
            [
                0.629458
                0.78747
                0.481475
            ]
            [
                0.575536
                0.257194
                0.598046
            ]
            [
                0.544365
                0.396612
                0.100145
            ]
            [
                0.455635
                0.396612
                0.399855
            ]
            [
                0.869769
                0.607177
                0.005944
            ]
            [
                0.324615
                0.518331
                0.566336
            ]
            [
                0.544365
                0.603388
                0.600145
            ]
            [
                0.29205
                0.300833
                0.190133
            ]
            [
                0.5
                0.114466
                0.75
            ]
            [
                0.370542
                0.21253
                0.518525
            ]
            [
                0.424464
                0.742806
                0.401954
            ]
            [
                0.5
                0.885534
                0.25
            ]
            [
                0.70795
                0.699167
                0.809867
            ]
            [
                0.076053
                0.435123
                0.602653
            ]
            [
                0.324615
                0.481669
                0.066336
            ]
            [
                0.29205
                0.699167
                0.690133
            ]
            [
                0.923947
                0.564877
                0.397347
            ]
            [
                0.130231
                0.392823
                0.994056
            ]
            [
                0.130231
                0.607177
                0.494056
            ]
            [
                0.629458
                0.21253
                0.981475
            ]
            [
                0.455635
                0.603388
                0.899855
            ]
            [
                0.424464
                0.257194
                0.901954
            ]
            [
                0.313297
                0.373657
                0.726589
            ]
        ]
    }
    "species" {
        "source-value" [
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Nb"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "Tl"
            "S"
            "S"
            "S"
            "S"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
            "Br"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 17.42186896
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 22.51348816
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 9.61509394
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 99.40573451
        "source-unit" "degree"
    }
}