{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.15179 0.65179 0.875086 ] [ 0.15179 0.65179 0.124914 ] [ 0.65179 0.84821 0.875086 ] [ 0.34821 0.15179 0.875086 ] [ 0.34821 0.15179 0.124914 ] [ 0.84821 0.34821 0.124914 ] [ 0.84821 0.34821 0.875086 ] [ 0.65179 0.84821 0.124914 ] [ 0.65179 0.15179 0.375086 ] [ 0.65179 0.15179 0.624914 ] [ 0.15179 0.34821 0.375086 ] [ 0.84821 0.65179 0.375086 ] [ 0.84821 0.65179 0.624914 ] [ 0.34821 0.84821 0.624914 ] [ 0.34821 0.84821 0.375086 ] [ 0.15179 0.34821 0.624914 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Br" "Br" "Br" "Br" "F" "F" "F" "F" "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" 6.05694530962 "source-unit" "angstrom" } "c" { "source-value" 12.5671287312 "source-unit" "angstrom" } }