{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 6.04497058066 "source-unit" "angstrom" } "c11" { "source-value" 318.4993607047219 "source-unit" "GPa" } "c12" { "source-value" 113.02921838959683 "source-unit" "GPa" } "c44" { "source-value" 107.78752764333336 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }