{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.375915 ] [ 0 0 0.624085 ] [ 0 0 0.875915 ] [ 0 0 0.124085 ] [ 0.333333 0.666667 0.408414 ] [ 0.333333 0.666667 0.091586 ] [ 0.666667 0.333333 0.908414 ] [ 0.666667 0.333333 0.591586 ] [ 0.977207 0.373916 0.25 ] [ 0.396709 0.022793 0.25 ] [ 0.022793 0.626084 0.75 ] [ 0.603291 0.977207 0.75 ] [ 0.626084 0.603291 0.25 ] [ 0.373916 0.396709 0.75 ] [ 0.140163 0.418257 0.106577 ] [ 0.581743 0.721905 0.106577 ] [ 0.278095 0.859837 0.393423 ] [ 0.87794 0.743417 0.25 ] [ 0.721905 0.140163 0.606577 ] [ 0.581743 0.721905 0.393423 ] [ 0.865476 0.12206 0.25 ] [ 0.859837 0.581743 0.606577 ] [ 0.418257 0.278095 0.606577 ] [ 0.721905 0.140163 0.893423 ] [ 0.256583 0.134524 0.25 ] [ 0.12206 0.256583 0.75 ] [ 0.743417 0.865476 0.75 ] [ 0.134524 0.87794 0.75 ] [ 0.278095 0.859837 0.106577 ] [ 0.418257 0.278095 0.893423 ] [ 0.140163 0.418257 0.393423 ] [ 0.859837 0.581743 0.893423 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Zn" "Zn" "Zn" "Zn" "Te" "Te" "Te" "Te" "Te" "Te" "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" 8.41634703 "source-unit" "angstrom" } "c" { "source-value" 10.2806444 "source-unit" "angstrom" } }