{ "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" [ [ 0.680868 0.180868 0.5 ] [ 0.180868 0.319132 0.5 ] [ 0.819132 0.680868 0.5 ] [ 0.319132 0.819132 0.5 ] [ 0.5 0 0 ] [ 0.201301 0.062914 0 ] [ 0.937086 0.201301 0 ] [ 0.437086 0.298699 0 ] [ 0.701301 0.437086 0 ] [ 0 0.5 0 ] [ 0.298699 0.562914 0 ] [ 0.562914 0.701301 0 ] [ 0.062914 0.798699 0 ] [ 0.798699 0.937086 0 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.26305833 "source-unit" "angstrom" } "c" { "source-value" 3.09041858 "source-unit" "angstrom" } }