{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3c1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.698052 ] [ 0.666667 0.333333 0.981283 ] [ 0.666667 0.333333 0.481283 ] [ 0.333333 0.666667 0.51371 ] [ 0.333333 0.666667 0.01371 ] [ 0.666667 0.333333 0.198052 ] [ 0 0 0.857749 ] [ 0 0 0.141089 ] [ 0 0 0.641089 ] [ 0 0 0.357749 ] [ 0.333333 0.666667 0.795012 ] [ 0.333333 0.666667 0.295012 ] [ 0.336904 0.309155 0.084871 ] [ 0.663182 0.6894 0.913637 ] [ 0.011129 0.287449 0.249627 ] [ 0.27632 0.988871 0.249627 ] [ 0.972251 0.663096 0.084871 ] [ 0.690845 0.663096 0.584871 ] [ 0.712551 0.988871 0.749627 ] [ 0.026218 0.336818 0.913637 ] [ 0.026218 0.6894 0.413637 ] [ 0.336904 0.027749 0.584871 ] [ 0.27632 0.287449 0.749627 ] [ 0.972251 0.309155 0.584871 ] [ 0.712551 0.72368 0.249627 ] [ 0.3106 0.973782 0.913637 ] [ 0.690845 0.027749 0.084871 ] [ 0.663182 0.973782 0.413637 ] [ 0.3106 0.336818 0.413637 ] [ 0.011129 0.72368 0.749627 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Nb" "Nb" "Nb" "Nb" "Zn" "Zn" "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" 5.3637961533 "source-unit" "angstrom" } "c" { "source-value" 14.53734758 "source-unit" "angstrom" } }