{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.377543 ] [ 0.25 0.25 0.877543 ] [ 0.75 0.75 0.622457 ] [ 0.75 0.75 0.122457 ] ] } "species" { "source-value" [ "Hg" "Hg" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.52063271 "source-unit" "angstrom" } "c" { "source-value" 13.86966881 "source-unit" "angstrom" } }