{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.694066 0 ] [ 0 0 0.777038 ] [ 0.694066 0 0 ] [ 0 0 0.222962 ] [ 0 0.305934 0 ] [ 0.305934 0 0 ] [ 0.5 0.194066 0.5 ] [ 0.5 0.5 0.277038 ] [ 0.194066 0.5 0.5 ] [ 0.5 0.5 0.722962 ] [ 0.5 0.805934 0.5 ] [ 0.805934 0.5 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Tl" "Tl" "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" 7.09944222094 "source-unit" "angstrom" } "c" { "source-value" 10.3137494479 "source-unit" "angstrom" } }