{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-43m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.7213 0.2787 0.2787 ] [ 0.2787 0.7213 0.2787 ] [ 0.2787 0.2787 0.7213 ] [ 0.7213 0.7213 0.7213 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.36963886333 "source-unit" "angstrom" } "c11" { "source-value" 97.51648543414467 "source-unit" "GPa" } "c12" { "source-value" 39.88028979474501 "source-unit" "GPa" } "c44" { "source-value" 47.670090456666685 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }