{ "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 0 0.5 ] [ 0 0.5 0.085253 ] [ 0.5 0 0.085253 ] [ 0.5 0 0.914747 ] [ 0 0.5 0.914747 ] [ 0 0 0 ] [ 0.5 0 0.585253 ] [ 0 0.5 0.585253 ] [ 0 0.5 0.414747 ] [ 0.5 0 0.414747 ] [ 0.5 0.5 0.5 ] [ 0 0 0.174982 ] [ 0 0 0.825018 ] [ 0.5 0.5 0.674982 ] [ 0.5 0.5 0.325018 ] ] } "species" { "source-value" [ "Al" "Al" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "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" 4.09948146678 "source-unit" "angstrom" } "c" { "source-value" 20.7693964356 "source-unit" "angstrom" } }