{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.802233 ] [ 0.333333 0.666667 0.197767 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.251138 ] [ 0.333333 0.666667 0.748862 ] [ 0.824966 0.175034 0.172773 ] [ 0.824966 0.649932 0.172773 ] [ 0.350068 0.175034 0.172773 ] [ 0.649932 0.824966 0.827227 ] [ 0.175034 0.350068 0.827227 ] [ 0.175034 0.824966 0.827227 ] [ 0.333333 0.666667 0.533283 ] [ 0.666667 0.333333 0.466717 ] ] } "species" { "source-value" [ "Tb" "K" "K" "Rb" "V" "V" "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" 6.04626410061 "source-unit" "angstrom" } "c" { "source-value" 7.81289909 "source-unit" "angstrom" } }