{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.356657 0.856657 0.643343 ] [ 0.643343 0.356657 0.856657 ] [ 0.856657 0.643343 0.356657 ] [ 0.143343 0.143343 0.143343 ] [ 0.343208 0.656792 0.156792 ] [ 0.843208 0.843208 0.843208 ] [ 0.656792 0.156792 0.343208 ] [ 0.156792 0.343208 0.656792 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.69196992 "source-unit" "angstrom" } "c11" { "source-value" 204.38024896467505 "source-unit" "GPa" } "c12" { "source-value" 53.37395365332332 "source-unit" "GPa" } "c44" { "source-value" 48.42069588000001 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }