{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0.209846 0 ] [ 0.209846 0 0.5 ] [ 0.790153 0 0.5 ] [ 0 0.790153 0 ] [ 0.249268 0 0 ] [ 0 0.750732 0.5 ] [ 0 0.249268 0.5 ] [ 0.750732 0 0 ] [ 0.5 0.232211 0 ] [ 0.232211 0.5 0.5 ] [ 0.767789 0.5 0.5 ] [ 0.5 0.767789 0 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Pd" "Pd" "Pd" "Pd" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.10910468 "source-unit" "angstrom" } "c" { "source-value" 5.70069849 "source-unit" "angstrom" } }