{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.125 0.125 0.625 ] [ 0.875 0.375 0.875 ] [ 0.125 0.625 0.125 ] [ 0.875 0.875 0.375 ] [ 0.625 0.125 0.125 ] [ 0.375 0.375 0.375 ] [ 0.625 0.625 0.625 ] [ 0.375 0.875 0.875 ] [ 0.125 0.125 0.125 ] [ 0.875 0.375 0.375 ] [ 0.125 0.625 0.625 ] [ 0.875 0.875 0.875 ] [ 0.625 0.125 0.625 ] [ 0.375 0.375 0.875 ] [ 0.625 0.625 0.125 ] [ 0.375 0.875 0.375 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 6.35644241319 "source-unit" "angstrom" } "c11" { "source-value" 120.97272254841099 "source-unit" "GPa" } "c12" { "source-value" 35.32322499250951 "source-unit" "GPa" } "c44" { "source-value" 60.27666440666666 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }