{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.252919 0.747081 0.747081 ] [ 0.747081 0.252919 0.747081 ] [ 0.747081 0.747081 0.747081 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.747081 0.747081 0.252919 ] [ 0.747081 0.252919 0.252919 ] [ 0.252919 0.252919 0.747081 ] [ 0.252919 0.747081 0.252919 ] [ 0.252919 0.252919 0.252919 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "sc" ] } "a" { "source-value" 5.57801295 "source-unit" "angstrom" } "c11" { "source-value" 309.1331721112076 "source-unit" "GPa" } "c12" { "source-value" 172.71270467187418 "source-unit" "GPa" } "c44" { "source-value" 146.6540003166667 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }