{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Cd" "Cd" "Cd" "Cd" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 6.53970298 "source-unit" "angstrom" } "c11" { "source-value" 177.45948839587817 "source-unit" "GPa" } "c12" { "source-value" 118.63062710768526 "source-unit" "GPa" } "c44" { "source-value" 74.34640025666667 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }