{ "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 0.673184 ] [ 0 0 0.326816 ] [ 0.5 0.5 0.826816 ] [ 0.5 0.5 0.173184 ] [ 0.790342 0.209658 0.829045 ] [ 0.187488 0.812512 0.5 ] [ 0.709658 0.709658 0.329045 ] [ 0.812512 0.187488 0.5 ] [ 0.209658 0.790342 0.170955 ] [ 0.290342 0.290342 0.670955 ] [ 0.209658 0.790342 0.829045 ] [ 0.790342 0.209658 0.170955 ] [ 0.312512 0.312512 0 ] [ 0.290342 0.290342 0.329045 ] [ 0.687488 0.687488 0 ] [ 0.709658 0.709658 0.670955 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.53127827 "source-unit" "angstrom" } "c" { "source-value" 11.73480289 "source-unit" "angstrom" } }