{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "F-43m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Ni" "Ni" "Ni" "Ni" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.25588753592 "source-unit" "angstrom" } "c11" { "source-value" 164.25383839210951 "source-unit" "GPa" } "c12" { "source-value" 50.81281913954247 "source-unit" "GPa" } "c44" { "source-value" 49.870406850000016 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }