{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.249522 0.75 ] [ 0.5 0.750478 0.25 ] [ 0 0.749522 0.75 ] [ 0 0.250478 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.957107 0.75 ] [ 0.5 0.042893 0.25 ] [ 0 0.457107 0.75 ] [ 0 0.542893 0.25 ] [ 0.5 0.876641 0.958724 ] [ 0 0.065223 0.75 ] [ 0.5 0.876641 0.541276 ] [ 0.5 0.123359 0.458724 ] [ 0 0.934777 0.25 ] [ 0.5 0.123359 0.041276 ] [ 0 0.376641 0.958724 ] [ 0.5 0.565223 0.75 ] [ 0 0.376641 0.541276 ] [ 0 0.623359 0.458724 ] [ 0.5 0.434777 0.25 ] [ 0 0.623359 0.041276 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "U" "U" "U" "U" "Au" "Au" "Au" "Au" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22126701 "source-unit" "angstrom" } "b" { "source-value" 15.50554065 "source-unit" "angstrom" } "c" { "source-value" 10.77095014 "source-unit" "angstrom" } }