{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.739365 0.260635 0.240397 ] [ 0.260635 0.260635 0.759603 ] [ 0.260635 0.739365 0.240397 ] [ 0.739365 0.739365 0.759603 ] ] } "species" { "source-value" [ "Ag" "Ag" "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" 6.5663899 "source-unit" "angstrom" } "c" { "source-value" 6.50007177 "source-unit" "angstrom" } }