{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "Fddd"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.954459
                0.75
                0.75
            ]
            [
                0
                0.699295
                0
            ]
            [
                0.704459
                0
                0
            ]
            [
                0.25
                0.449295
                0.75
            ]
            [
                0.5
                0.800705
                0
            ]
            [
                0.045541
                0.25
                0.75
            ]
            [
                0.75
                0.550705
                0.75
            ]
            [
                0.795541
                0.5
                0
            ]
            [
                0.954459
                0.25
                0.25
            ]
            [
                0
                0.199295
                0.5
            ]
            [
                0.704459
                0.5
                0.5
            ]
            [
                0.25
                0.949295
                0.25
            ]
            [
                0.5
                0.300705
                0.5
            ]
            [
                0.045541
                0.75
                0.25
            ]
            [
                0.75
                0.050705
                0.25
            ]
            [
                0.795541
                0
                0.5
            ]
            [
                0.454459
                0.75
                0.25
            ]
            [
                0.5
                0.699295
                0.5
            ]
            [
                0.204459
                0
                0.5
            ]
            [
                0.75
                0.449295
                0.25
            ]
            [
                0
                0.800705
                0.5
            ]
            [
                0.545541
                0.25
                0.25
            ]
            [
                0.25
                0.550705
                0.25
            ]
            [
                0.295541
                0.5
                0.5
            ]
            [
                0.454459
                0.25
                0.75
            ]
            [
                0.5
                0.199295
                0
            ]
            [
                0.204459
                0.5
                0
            ]
            [
                0.75
                0.949295
                0.75
            ]
            [
                0
                0.300705
                0
            ]
            [
                0.545541
                0.75
                0.75
            ]
            [
                0.25
                0.050705
                0.75
            ]
            [
                0.295541
                0
                0
            ]
            [
                0.625
                0.375
                0.875
            ]
            [
                0.875
                0.375
                0.625
            ]
            [
                0.625
                0.625
                0.125
            ]
            [
                0.375
                0.625
                0.875
            ]
            [
                0.625
                0.875
                0.375
            ]
            [
                0.875
                0.875
                0.125
            ]
            [
                0.625
                0.125
                0.625
            ]
            [
                0.375
                0.125
                0.375
            ]
            [
                0.125
                0.375
                0.375
            ]
            [
                0.375
                0.375
                0.125
            ]
            [
                0.125
                0.625
                0.625
            ]
            [
                0.875
                0.625
                0.375
            ]
            [
                0.125
                0.875
                0.875
            ]
            [
                0.375
                0.875
                0.625
            ]
            [
                0.125
                0.125
                0.125
            ]
            [
                0.875
                0.125
                0.875
            ]
            [
                0.152103
                0.650209
                0.835838
            ]
            [
                0.347897
                0.650209
                0.664162
            ]
            [
                0.152103
                0.849791
                0.664162
            ]
            [
                0.847897
                0.349791
                0.835838
            ]
            [
                0.902103
                0.900209
                0.914162
            ]
            [
                0.597897
                0.400209
                0.085838
            ]
            [
                0.402103
                0.599791
                0.085838
            ]
            [
                0.597897
                0.599791
                0.914162
            ]
            [
                0.152103
                0.150209
                0.335838
            ]
            [
                0.347897
                0.150209
                0.164162
            ]
            [
                0.152103
                0.349791
                0.164162
            ]
            [
                0.847897
                0.849791
                0.335838
            ]
            [
                0.902103
                0.400209
                0.414162
            ]
            [
                0.597897
                0.900209
                0.585838
            ]
            [
                0.402103
                0.099791
                0.585838
            ]
            [
                0.597897
                0.099791
                0.414162
            ]
            [
                0.652103
                0.650209
                0.335838
            ]
            [
                0.847897
                0.650209
                0.164162
            ]
            [
                0.652103
                0.849791
                0.164162
            ]
            [
                0.347897
                0.349791
                0.335838
            ]
            [
                0.402103
                0.900209
                0.414162
            ]
            [
                0.097897
                0.400209
                0.585838
            ]
            [
                0.902103
                0.599791
                0.585838
            ]
            [
                0.097897
                0.599791
                0.414162
            ]
            [
                0.652103
                0.150209
                0.835838
            ]
            [
                0.847897
                0.150209
                0.664162
            ]
            [
                0.652103
                0.349791
                0.664162
            ]
            [
                0.347897
                0.849791
                0.835838
            ]
            [
                0.402103
                0.400209
                0.914162
            ]
            [
                0.097897
                0.900209
                0.085838
            ]
            [
                0.902103
                0.099791
                0.085838
            ]
            [
                0.097897
                0.099791
                0.914162
            ]
            [
                0
                0.5
                0
            ]
            [
                0.75
                0.75
                0.75
            ]
            [
                0
                0
                0.5
            ]
            [
                0.75
                0.25
                0.25
            ]
            [
                0.5
                0.5
                0.5
            ]
            [
                0.25
                0.75
                0.25
            ]
            [
                0.5
                0
                0
            ]
            [
                0.25
                0.25
                0.75
            ]
            [
                0.083207
                0.716668
                0.848973
            ]
            [
                0.083207
                0.783332
                0.651027
            ]
            [
                0.22533
                0.63978
                0.899815
            ]
            [
                0.931179
                0.434403
                0.05843
            ]
            [
                0.774671
                0.63978
                0.100185
            ]
            [
                0.068821
                0.434403
                0.94157
            ]
            [
                0.931179
                0.565597
                0.94157
            ]
            [
                0.401058
                0.658336
                0.011848
            ]
            [
                0.151058
                0.908336
                0.738152
            ]
            [
                0.725329
                0.86022
                0.100185
            ]
            [
                0.068821
                0.565597
                0.05843
            ]
            [
                0.774671
                0.36022
                0.899815
            ]
            [
                0.416793
                0.716668
                0.651027
            ]
            [
                0.916793
                0.283332
                0.848973
            ]
            [
                0.901058
                0.841664
                0.988152
            ]
            [
                0.151058
                0.591664
                0.761848
            ]
            [
                0.598942
                0.658336
                0.988152
            ]
            [
                0.848942
                0.408336
                0.761848
            ]
            [
                0.833207
                0.966668
                0.901027
            ]
            [
                0.333207
                0.533332
                0.098973
            ]
            [
                0.975329
                0.88978
                0.850185
            ]
            [
                0.681179
                0.684403
                0.69157
            ]
            [
                0.02467
                0.38978
                0.649815
            ]
            [
                0.598942
                0.341664
                0.011848
            ]
            [
                0.348942
                0.591664
                0.738152
            ]
            [
                0.818821
                0.684403
                0.80843
            ]
            [
                0.681179
                0.815597
                0.80843
            ]
            [
                0.975329
                0.61022
                0.649815
            ]
            [
                0.818821
                0.815597
                0.69157
            ]
            [
                0.524671
                0.61022
                0.850185
            ]
            [
                0.666793
                0.466668
                0.098973
            ]
            [
                0.666793
                0.533332
                0.901027
            ]
            [
                0.083207
                0.216668
                0.348973
            ]
            [
                0.083207
                0.283332
                0.151027
            ]
            [
                0.22533
                0.13978
                0.399815
            ]
            [
                0.931179
                0.934403
                0.55843
            ]
            [
                0.774671
                0.13978
                0.600185
            ]
            [
                0.068821
                0.934403
                0.44157
            ]
            [
                0.931179
                0.065597
                0.44157
            ]
            [
                0.401058
                0.158336
                0.511848
            ]
            [
                0.151058
                0.408336
                0.238152
            ]
            [
                0.725329
                0.36022
                0.600185
            ]
            [
                0.068821
                0.065597
                0.55843
            ]
            [
                0.774671
                0.86022
                0.399815
            ]
            [
                0.416793
                0.216668
                0.151027
            ]
            [
                0.916793
                0.783332
                0.348973
            ]
            [
                0.901058
                0.341664
                0.488152
            ]
            [
                0.151058
                0.091664
                0.261848
            ]
            [
                0.598942
                0.158336
                0.488152
            ]
            [
                0.848942
                0.908336
                0.261848
            ]
            [
                0.833207
                0.466668
                0.401027
            ]
            [
                0.333207
                0.033332
                0.598973
            ]
            [
                0.975329
                0.38978
                0.350185
            ]
            [
                0.681179
                0.184403
                0.19157
            ]
            [
                0.02467
                0.88978
                0.149815
            ]
            [
                0.598942
                0.841664
                0.511848
            ]
            [
                0.348942
                0.091664
                0.238152
            ]
            [
                0.818821
                0.184403
                0.30843
            ]
            [
                0.681179
                0.315597
                0.30843
            ]
            [
                0.975329
                0.11022
                0.149815
            ]
            [
                0.818821
                0.315597
                0.19157
            ]
            [
                0.524671
                0.11022
                0.350185
            ]
            [
                0.666793
                0.966668
                0.598973
            ]
            [
                0.666793
                0.033332
                0.401027
            ]
            [
                0.583207
                0.716668
                0.348973
            ]
            [
                0.583207
                0.783332
                0.151027
            ]
            [
                0.725329
                0.63978
                0.399815
            ]
            [
                0.431179
                0.434403
                0.55843
            ]
            [
                0.27467
                0.63978
                0.600185
            ]
            [
                0.568821
                0.434403
                0.44157
            ]
            [
                0.431179
                0.565597
                0.44157
            ]
            [
                0.901058
                0.658336
                0.511848
            ]
            [
                0.651058
                0.908336
                0.238152
            ]
            [
                0.225329
                0.86022
                0.600185
            ]
            [
                0.568821
                0.565597
                0.55843
            ]
            [
                0.27467
                0.36022
                0.399815
            ]
            [
                0.916793
                0.716668
                0.151027
            ]
            [
                0.416793
                0.283332
                0.348973
            ]
            [
                0.401058
                0.841664
                0.488152
            ]
            [
                0.651058
                0.591664
                0.261848
            ]
            [
                0.098942
                0.658336
                0.488152
            ]
            [
                0.348942
                0.408336
                0.261848
            ]
            [
                0.333207
                0.966668
                0.401027
            ]
            [
                0.833207
                0.533332
                0.598973
            ]
            [
                0.475329
                0.88978
                0.350185
            ]
            [
                0.181179
                0.684403
                0.19157
            ]
            [
                0.524671
                0.38978
                0.149815
            ]
            [
                0.098942
                0.341664
                0.511848
            ]
            [
                0.848942
                0.591664
                0.238152
            ]
            [
                0.318821
                0.684403
                0.30843
            ]
            [
                0.181179
                0.815597
                0.30843
            ]
            [
                0.475329
                0.61022
                0.149815
            ]
            [
                0.318821
                0.815597
                0.19157
            ]
            [
                0.024671
                0.61022
                0.350185
            ]
            [
                0.166793
                0.466668
                0.598973
            ]
            [
                0.166793
                0.533332
                0.401027
            ]
            [
                0.583207
                0.216668
                0.848973
            ]
            [
                0.583207
                0.283332
                0.651027
            ]
            [
                0.725329
                0.13978
                0.899815
            ]
            [
                0.431179
                0.934403
                0.05843
            ]
            [
                0.27467
                0.13978
                0.100185
            ]
            [
                0.568821
                0.934403
                0.94157
            ]
            [
                0.431179
                0.065597
                0.94157
            ]
            [
                0.901058
                0.158336
                0.011848
            ]
            [
                0.651058
                0.408336
                0.738152
            ]
            [
                0.225329
                0.36022
                0.100185
            ]
            [
                0.568821
                0.065597
                0.05843
            ]
            [
                0.27467
                0.86022
                0.899815
            ]
            [
                0.916793
                0.216668
                0.651027
            ]
            [
                0.416793
                0.783332
                0.848973
            ]
            [
                0.401058
                0.341664
                0.988152
            ]
            [
                0.651058
                0.091664
                0.761848
            ]
            [
                0.098942
                0.158336
                0.988152
            ]
            [
                0.348942
                0.908336
                0.761848
            ]
            [
                0.333207
                0.466668
                0.901027
            ]
            [
                0.833207
                0.033332
                0.098973
            ]
            [
                0.475329
                0.38978
                0.850185
            ]
            [
                0.181179
                0.184403
                0.69157
            ]
            [
                0.524671
                0.88978
                0.649815
            ]
            [
                0.098942
                0.841664
                0.011848
            ]
            [
                0.848942
                0.091664
                0.738152
            ]
            [
                0.318821
                0.184403
                0.80843
            ]
            [
                0.181179
                0.315597
                0.80843
            ]
            [
                0.475329
                0.11022
                0.649815
            ]
            [
                0.318821
                0.315597
                0.69157
            ]
            [
                0.024671
                0.11022
                0.850185
            ]
            [
                0.166793
                0.966668
                0.098973
            ]
            [
                0.166793
                0.033332
                0.901027
            ]
        ]
    }
    "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"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "Mn"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "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"
            "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" 12.96864185
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 13.51637152
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 13.87088069
        "source-unit" "angstrom"
    }
}