{ "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 0 0.887766 ] [ 0 0 0.112234 ] [ 0.5 0.5 0.387766 ] [ 0.5 0.5 0.612234 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.174367 ] [ 0.5 0.5 0.825633 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.674367 ] [ 0 0 0.325633 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.61334747701 "source-unit" "angstrom" } "c" { "source-value" 24.8225881586 "source-unit" "angstrom" } }