{ "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 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.65776 ] [ 0 0 0.34224 ] [ 0.5 0.5 0.15776 ] [ 0.5 0.5 0.84224 ] [ 0.803312 0.803312 0 ] [ 0.803312 0.196688 0 ] [ 0.196688 0.196688 0 ] [ 0.196688 0.803312 0 ] [ 0.303312 0.303312 0.5 ] [ 0.303312 0.696688 0.5 ] [ 0.696688 0.696688 0.5 ] [ 0.696688 0.303312 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Pd" "Pd" "I" "I" "I" "I" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.39372162562 "source-unit" "angstrom" } "c" { "source-value" 9.0461612529 "source-unit" "angstrom" } }