{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.080324 0.419676 0.580324 ] [ 0.419676 0.580324 0.080324 ] [ 0.580324 0.080324 0.419676 ] [ 0.919676 0.919676 0.919676 ] [ 0.080324 0.080324 0.080324 ] [ 0.419676 0.919676 0.580324 ] [ 0.580324 0.419676 0.919676 ] [ 0.919676 0.580324 0.419676 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.40471747 "source-unit" "angstrom" } "c11" { "source-value" 155.32679754703915 "source-unit" "GPa" } "c12" { "source-value" 76.82214981963244 "source-unit" "GPa" } "c44" { "source-value" 34.666930369230755 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }