{
    "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
                0.444981
                0.75
            ]
            [
                0.91465
                0.116435
                0.391864
            ]
            [
                0
                0.555019
                0.25
            ]
            [
                0.200448
                0.386874
                0.805468
            ]
            [
                0.799552
                0.613126
                0.194532
            ]
            [
                0.08535
                0.116435
                0.108136
            ]
            [
                0.799552
                0.386874
                0.694532
            ]
            [
                0.91465
                0.883565
                0.891864
            ]
            [
                0.08535
                0.883565
                0.608136
            ]
            [
                0.200448
                0.613126
                0.305468
            ]
            [
                0.5
                0.944981
                0.75
            ]
            [
                0.41465
                0.616435
                0.391864
            ]
            [
                0.5
                0.055019
                0.25
            ]
            [
                0.700448
                0.886874
                0.805468
            ]
            [
                0.299552
                0.113126
                0.194532
            ]
            [
                0.58535
                0.616435
                0.108136
            ]
            [
                0.299552
                0.886874
                0.694532
            ]
            [
                0.41465
                0.383565
                0.891864
            ]
            [
                0.58535
                0.383565
                0.608136
            ]
            [
                0.700448
                0.113126
                0.305468
            ]
            [
                0.187819
                0.131516
                0.416614
            ]
            [
                0.905938
                0.681615
                0.50558
            ]
            [
                0.812181
                0.131516
                0.083386
            ]
            [
                0.812181
                0.868484
                0.583386
            ]
            [
                0.094062
                0.681615
                0.99442
            ]
            [
                0.094062
                0.318385
                0.49442
            ]
            [
                0.187819
                0.868484
                0.916614
            ]
            [
                0.905938
                0.318385
                0.00558
            ]
            [
                0.687819
                0.631516
                0.416614
            ]
            [
                0.405938
                0.181615
                0.50558
            ]
            [
                0.312181
                0.631516
                0.083386
            ]
            [
                0.312181
                0.368484
                0.583386
            ]
            [
                0.594062
                0.181615
                0.99442
            ]
            [
                0.594062
                0.818385
                0.49442
            ]
            [
                0.687819
                0.368484
                0.916614
            ]
            [
                0.405938
                0.818385
                0.00558
            ]
            [
                0.850288
                0.201709
                0.966316
            ]
            [
                0.850288
                0.798291
                0.466316
            ]
            [
                0.041461
                0.234602
                0.419386
            ]
            [
                0.958539
                0.234602
                0.080614
            ]
            [
                0.187342
                0.764025
                0.785381
            ]
            [
                0.096277
                0.499152
                0.542041
            ]
            [
                0.041461
                0.765398
                0.919386
            ]
            [
                0.78023
                0.030809
                0.556589
            ]
            [
                0.187342
                0.235975
                0.285381
            ]
            [
                0.903723
                0.500848
                0.457959
            ]
            [
                0.096277
                0.500848
                0.042041
            ]
            [
                0.78023
                0.969191
                0.056589
            ]
            [
                0.21977
                0.030809
                0.943411
            ]
            [
                0.21977
                0.969191
                0.443411
            ]
            [
                0.958539
                0.765398
                0.580614
            ]
            [
                0.812658
                0.764025
                0.714619
            ]
            [
                0.149712
                0.798291
                0.033684
            ]
            [
                0.903723
                0.499152
                0.957959
            ]
            [
                0.149712
                0.201709
                0.533684
            ]
            [
                0.812658
                0.235975
                0.214619
            ]
            [
                0.350288
                0.701709
                0.966316
            ]
            [
                0.350288
                0.298291
                0.466316
            ]
            [
                0.541461
                0.734602
                0.419386
            ]
            [
                0.458539
                0.734602
                0.080614
            ]
            [
                0.687342
                0.264025
                0.785381
            ]
            [
                0.596277
                0.999152
                0.542041
            ]
            [
                0.541461
                0.265398
                0.919386
            ]
            [
                0.28023
                0.530809
                0.556589
            ]
            [
                0.687342
                0.735975
                0.285381
            ]
            [
                0.403723
                0.000848
                0.457959
            ]
            [
                0.596277
                0.000848
                0.042041
            ]
            [
                0.28023
                0.469191
                0.056589
            ]
            [
                0.71977
                0.530809
                0.943411
            ]
            [
                0.71977
                0.469191
                0.443411
            ]
            [
                0.458539
                0.265398
                0.580614
            ]
            [
                0.312658
                0.264025
                0.714619
            ]
            [
                0.649712
                0.298291
                0.033684
            ]
            [
                0.403723
                0.999152
                0.957959
            ]
            [
                0.649712
                0.701709
                0.533684
            ]
            [
                0.312658
                0.735975
                0.214619
            ]
            [
                0.919949
                0.17536
                0.694517
            ]
            [
                0.919949
                0.82464
                0.194517
            ]
            [
                0.080051
                0.82464
                0.305483
            ]
            [
                0.080051
                0.17536
                0.805483
            ]
            [
                0.419949
                0.67536
                0.694517
            ]
            [
                0.419949
                0.32464
                0.194517
            ]
            [
                0.580051
                0.32464
                0.305483
            ]
            [
                0.580051
                0.67536
                0.805483
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "B"
            "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"
            "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" 21.0322494937
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 7.19900356199
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 8.73350880091
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 95.2630675729
        "source-unit" "degree"
    }
}