{ "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 0.882746 ] [ 0 0 0.117254 ] [ 0.5 0.5 0.382746 ] [ 0.5 0.5 0.617254 ] [ 0.5 0.5 0.163199 ] [ 0.5 0.5 0.836801 ] [ 0 0 0.663199 ] [ 0 0 0.336801 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.74624403777 "source-unit" "angstrom" } "c" { "source-value" 11.1245046038 "source-unit" "angstrom" } }