{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/n" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.666515 0.788129 0.609399 ] [ 0.288129 0.833485 0.109399 ] [ 0.833485 0.711871 0.890601 ] [ 0.211871 0.666515 0.390601 ] [ 0.788129 0.333485 0.390601 ] [ 0.166515 0.288129 0.890601 ] [ 0.711871 0.166515 0.109399 ] [ 0.333485 0.211871 0.609399 ] [ 0.356026 0.108025 0.108684 ] [ 0.391975 0.856026 0.608684 ] [ 0.108025 0.643974 0.891316 ] [ 0.143974 0.391975 0.391316 ] [ 0.856026 0.608025 0.391316 ] [ 0.891975 0.356026 0.891316 ] [ 0.643974 0.891975 0.108684 ] [ 0.608025 0.143974 0.608684 ] ] } "species" { "source-value" [ "La" "La" "B" "B" "B" "B" "B" "B" "B" "B" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.59259004 "source-unit" "angstrom" } "c" { "source-value" 4.01887235 "source-unit" "angstrom" } }