{ "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" [ [ 0.844263 0.844263 0.844263 ] [ 0.655737 0.155737 0.344263 ] [ 0.344263 0.655737 0.155737 ] [ 0.155737 0.344263 0.655737 ] [ 0.147421 0.147421 0.147421 ] [ 0.352579 0.852579 0.647421 ] [ 0.647421 0.352579 0.852579 ] [ 0.852579 0.647421 0.352579 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.90873726 "source-unit" "angstrom" } "c11" { "source-value" 241.06289874989517 "source-unit" "GPa" } "c12" { "source-value" 101.51665677046842 "source-unit" "GPa" } "c44" { "source-value" 62.01830750999999 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }