{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.700044 0.200044 0 ] [ 0.799956 0.700044 0 ] [ 0.200044 0.299956 0 ] [ 0.299956 0.799956 0 ] [ 0 0 0.284667 ] [ 0.5 0.5 0.715333 ] [ 0 0 0.715333 ] [ 0.5 0.5 0.284667 ] ] } "species" { "source-value" [ "K" "K" "Al" "Al" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.12244941 "source-unit" "angstrom" } "c" { "source-value" 6.28818241 "source-unit" "angstrom" } }