{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_122" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0 0.75 ] [ 0.25 0.438058 0.625 ] [ 0.061942 0.25 0.875 ] [ 0.75 0.561942 0.625 ] [ 0.938058 0.75 0.875 ] [ 0.75 0.938058 0.125 ] [ 0.561942 0.75 0.375 ] [ 0.25 0.061942 0.125 ] [ 0.438058 0.25 0.375 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.15658512017 "source-unit" "angstrom" } "c" { "source-value" 4.76774686217 "source-unit" "angstrom" } }