{ "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" [ [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.246704 ] [ 0 0.246704 0 ] [ 0 0.753296 0 ] [ 0.246704 0 0 ] [ 0.753296 0 0 ] [ 0 0 0.753296 ] [ 0 0.5 0.746704 ] [ 0 0.746704 0.5 ] [ 0 0.253296 0.5 ] [ 0.246704 0.5 0.5 ] [ 0.753296 0.5 0.5 ] [ 0 0.5 0.253296 ] [ 0.5 0 0.746704 ] [ 0.5 0.246704 0.5 ] [ 0.5 0.753296 0.5 ] [ 0.746704 0 0.5 ] [ 0.253296 0 0.5 ] [ 0.5 0 0.253296 ] [ 0.5 0.5 0.246704 ] [ 0.5 0.746704 0 ] [ 0.5 0.253296 0 ] [ 0.746704 0.5 0 ] [ 0.253296 0.5 0 ] [ 0.5 0.5 0.753296 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Te" "Te" "Te" "Te" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "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" 12.0657406425 "source-unit" "angstrom" } "c11" { "source-value" 11.786129023896553 "source-unit" "GPa" } "c12" { "source-value" 5.66509157510383 "source-unit" "GPa" } "c44" { "source-value" 4.682757606666667 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }