{ "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 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.255316 0.744684 0.744684 ] [ 0.744684 0.744684 0.255316 ] [ 0.744684 0.255316 0.744684 ] [ 0.255316 0.255316 0.255316 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "As" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.30861979 "source-unit" "angstrom" } "c11" { "source-value" 96.31705817484806 "source-unit" "GPa" } "c12" { "source-value" 62.72796779030633 "source-unit" "GPa" } "c44" { "source-value" 33.87782175000001 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }