{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.136755 ] [ 0.5 0.5 0.863245 ] [ 0 0 0.5 ] [ 0 0 0.242049 ] [ 0.5 0.5 0.619975 ] [ 0.5 0.5 0.380025 ] [ 0 0 0.757951 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.31027812 "source-unit" "angstrom" } "c" { "source-value" 11.49899133 "source-unit" "angstrom" } }