{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4c2" } "basis-atom-coordinates" { "source-value" [ [ 0.170175 0.829825 0.75 ] [ 0.829825 0.829825 0.25 ] [ 0.170175 0.170175 0.25 ] [ 0.829825 0.170175 0.75 ] [ 0.355661 0.207419 0.590342 ] [ 0.644339 0.792581 0.590342 ] [ 0.207419 0.644339 0.409658 ] [ 0.792581 0.355661 0.409658 ] [ 0.644339 0.207419 0.090342 ] [ 0.207419 0.355661 0.909658 ] [ 0.792581 0.644339 0.909658 ] [ 0.355661 0.792581 0.090342 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0.5 0 0.872329 ] [ 0 0.5 0.127671 ] [ 0 0.5 0.627671 ] [ 0.5 0 0.372329 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 5.60316374 "source-unit" "angstrom" } "c" { "source-value" 8.93334025 "source-unit" "angstrom" } }