{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0.66023 0.846032 ] [ 0 0.33977 0.846032 ] [ 0 0.66023 0.153968 ] [ 0.33977 0.153968 0 ] [ 0 0.33977 0.153968 ] [ 0.66023 0.153968 0 ] [ 0.846032 0 0.33977 ] [ 0.66023 0.846032 0 ] [ 0.153968 0 0.66023 ] [ 0.33977 0.846032 0 ] [ 0.846032 0 0.66023 ] [ 0.153968 0 0.33977 ] [ 0.5 0.16023 0.346032 ] [ 0.5 0.83977 0.346032 ] [ 0.5 0.16023 0.653968 ] [ 0.83977 0.653968 0.5 ] [ 0.5 0.83977 0.653968 ] [ 0.16023 0.653968 0.5 ] [ 0.346032 0.5 0.83977 ] [ 0.16023 0.346032 0.5 ] [ 0.653968 0.5 0.16023 ] [ 0.83977 0.346032 0.5 ] [ 0.346032 0.5 0.16023 ] [ 0.653968 0.5 0.83977 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.39461469924 "source-unit" "angstrom" } "c11" { "source-value" 196.0398138255727 "source-unit" "GPa" } "c12" { "source-value" 49.924504811117416 "source-unit" "GPa" } "c44" { "source-value" 52.28399414333335 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }