{
    "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" [
            [
                0.85967
                0.846202
                0.219563
            ]
            [
                0.14033
                0.846202
                0.280437
            ]
            [
                0.14033
                0.153798
                0.780437
            ]
            [
                0.85967
                0.153798
                0.719563
            ]
            [
                0.201745
                0.856701
                0.928684
            ]
            [
                0.798255
                0.856701
                0.571316
            ]
            [
                0.981077
                0.347851
                0.973612
            ]
            [
                0.018923
                0.347851
                0.526388
            ]
            [
                0.018923
                0.652149
                0.026388
            ]
            [
                0.981077
                0.652149
                0.473612
            ]
            [
                0.169602
                0.699801
                0.54814
            ]
            [
                0.830398
                0.699801
                0.95186
            ]
            [
                0.830398
                0.300199
                0.45186
            ]
            [
                0.169602
                0.300199
                0.04814
            ]
            [
                0
                0.197354
                0.25
            ]
            [
                0
                0.802646
                0.75
            ]
            [
                0.798255
                0.143299
                0.071316
            ]
            [
                0.201745
                0.143299
                0.428684
            ]
            [
                0.35967
                0.346202
                0.219563
            ]
            [
                0.64033
                0.346202
                0.280437
            ]
            [
                0.64033
                0.653798
                0.780437
            ]
            [
                0.35967
                0.653798
                0.719563
            ]
            [
                0.701745
                0.356701
                0.928684
            ]
            [
                0.298255
                0.356701
                0.571316
            ]
            [
                0.481077
                0.847851
                0.973612
            ]
            [
                0.518923
                0.847851
                0.526388
            ]
            [
                0.518923
                0.152149
                0.026388
            ]
            [
                0.481077
                0.152149
                0.473612
            ]
            [
                0.669602
                0.199801
                0.54814
            ]
            [
                0.330398
                0.199801
                0.95186
            ]
            [
                0.330398
                0.800199
                0.45186
            ]
            [
                0.669602
                0.800199
                0.04814
            ]
            [
                0.5
                0.697354
                0.25
            ]
            [
                0.5
                0.302646
                0.75
            ]
            [
                0.298255
                0.643299
                0.071316
            ]
            [
                0.701745
                0.643299
                0.428684
            ]
            [
                0.661555
                0.002867
                0.792138
            ]
            [
                0.338445
                0.002867
                0.707862
            ]
            [
                0.338445
                0.997133
                0.207862
            ]
            [
                0.661555
                0.997133
                0.292138
            ]
            [
                0
                0
                0.5
            ]
            [
                0
                0
                0
            ]
            [
                0.161555
                0.502867
                0.792138
            ]
            [
                0.838445
                0.502867
                0.707862
            ]
            [
                0.838445
                0.497133
                0.207862
            ]
            [
                0.161555
                0.497133
                0.292138
            ]
            [
                0.5
                0.5
                0.5
            ]
            [
                0.5
                0.5
                0
            ]
            [
                0.900254
                0.34225
                0.81078
            ]
            [
                0.075915
                0.82836
                0.43917
            ]
            [
                0.075915
                0.17164
                0.93917
            ]
            [
                0.924085
                0.17164
                0.56083
            ]
            [
                0.578954
                0.00956
                0.435121
            ]
            [
                0.421046
                0.00956
                0.064879
            ]
            [
                0.421046
                0.99044
                0.564879
            ]
            [
                0.578954
                0.99044
                0.935121
            ]
            [
                0.924085
                0.82836
                0.06083
            ]
            [
                0.072297
                0.00152
                0.66736
            ]
            [
                0.072297
                0.99848
                0.16736
            ]
            [
                0.927703
                0.99848
                0.33264
            ]
            [
                0.099746
                0.34225
                0.68922
            ]
            [
                0.246845
                0.976059
                0.343826
            ]
            [
                0.246845
                0.023941
                0.843826
            ]
            [
                0.753155
                0.023941
                0.656174
            ]
            [
                0.073188
                0.830222
                0.929223
            ]
            [
                0.926812
                0.830222
                0.570777
            ]
            [
                0.926812
                0.169778
                0.070777
            ]
            [
                0.073188
                0.169778
                0.429223
            ]
            [
                0.739084
                0.846543
                0.393051
            ]
            [
                0.260916
                0.846543
                0.106949
            ]
            [
                0.260916
                0.153457
                0.606949
            ]
            [
                0.739084
                0.153457
                0.893051
            ]
            [
                0.099746
                0.65775
                0.18922
            ]
            [
                0.900254
                0.65775
                0.31078
            ]
            [
                0.26899
                0.833243
                0.613013
            ]
            [
                0.753155
                0.976059
                0.156174
            ]
            [
                0.73101
                0.166757
                0.386987
            ]
            [
                0.26899
                0.166757
                0.113013
            ]
            [
                0.909226
                0.336189
                0.311964
            ]
            [
                0.090774
                0.336189
                0.188036
            ]
            [
                0.090774
                0.663811
                0.688036
            ]
            [
                0.909226
                0.663811
                0.811964
            ]
            [
                0.927703
                0.00152
                0.83264
            ]
            [
                0.73101
                0.833243
                0.886987
            ]
            [
                0.400254
                0.84225
                0.81078
            ]
            [
                0.575915
                0.32836
                0.43917
            ]
            [
                0.575915
                0.67164
                0.93917
            ]
            [
                0.424085
                0.67164
                0.56083
            ]
            [
                0.078954
                0.50956
                0.435121
            ]
            [
                0.921046
                0.50956
                0.064879
            ]
            [
                0.921046
                0.49044
                0.564879
            ]
            [
                0.078954
                0.49044
                0.935121
            ]
            [
                0.424085
                0.32836
                0.06083
            ]
            [
                0.572297
                0.50152
                0.66736
            ]
            [
                0.572297
                0.49848
                0.16736
            ]
            [
                0.427703
                0.49848
                0.33264
            ]
            [
                0.599746
                0.84225
                0.68922
            ]
            [
                0.746845
                0.476059
                0.343826
            ]
            [
                0.746845
                0.523941
                0.843826
            ]
            [
                0.253155
                0.523941
                0.656174
            ]
            [
                0.573188
                0.330222
                0.929223
            ]
            [
                0.426812
                0.330222
                0.570777
            ]
            [
                0.426812
                0.669778
                0.070777
            ]
            [
                0.573188
                0.669778
                0.429223
            ]
            [
                0.239084
                0.346543
                0.393051
            ]
            [
                0.760916
                0.346543
                0.106949
            ]
            [
                0.760916
                0.653457
                0.606949
            ]
            [
                0.239084
                0.653457
                0.893051
            ]
            [
                0.599746
                0.15775
                0.18922
            ]
            [
                0.400254
                0.15775
                0.31078
            ]
            [
                0.76899
                0.333243
                0.613013
            ]
            [
                0.253155
                0.476059
                0.156174
            ]
            [
                0.23101
                0.666757
                0.386987
            ]
            [
                0.76899
                0.666757
                0.113013
            ]
            [
                0.409226
                0.836189
                0.311964
            ]
            [
                0.590774
                0.836189
                0.188036
            ]
            [
                0.590774
                0.163811
                0.688036
            ]
            [
                0.409226
                0.163811
                0.811964
            ]
            [
                0.427703
                0.50152
                0.83264
            ]
            [
                0.23101
                0.333243
                0.886987
            ]
        ]
    }
    "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"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "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"
            "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" 14.6650594141
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 8.90051619351
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 10.2899711686
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 96.4807216188
        "source-unit" "degree"
    }
}