{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.331196 0.331196 0 ] [ 0.668804 0.668804 0 ] [ 0.168804 0.831196 0.5 ] [ 0.831196 0.168804 0.5 ] ] } "species" { "source-value" [ "Se" "Se" "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" 8.46040738 "source-unit" "angstrom" } "c" { "source-value" 3.93305142 "source-unit" "angstrom" } }