{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.327596 0.827596 0.5 ] [ 0.172404 0.327596 0.5 ] [ 0.827596 0.672404 0.5 ] [ 0.672404 0.172404 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.128927 0.628927 0 ] [ 0.871073 0.371073 0 ] [ 0.371073 0.128927 0 ] [ 0.628927 0.871073 0 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Cd" "Cd" "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" 7.7849468 "source-unit" "angstrom" } "c" { "source-value" 3.78942629 "source-unit" "angstrom" } }