{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.272176 0.229953 ] [ 0.727824 0 0.770047 ] [ 0.272176 0 0.770047 ] [ 0 0.727824 0.229953 ] [ 0.256148 0.256148 0 ] [ 0.743852 0.743852 0 ] [ 0.5 0 0.481124 ] [ 0 0.5 0.518876 ] [ 0 0 0.5 ] [ 0.743852 0.256148 0 ] [ 0.256148 0.743852 0 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "I" "I" "I" "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" 9.51254748 "source-unit" "angstrom" } "c" { "source-value" 6.58388675 "source-unit" "angstrom" } }