{ "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" [ [ 0.376152 0.123848 0.876152 ] [ 0.123848 0.876152 0.376152 ] [ 0.876152 0.376152 0.123848 ] [ 0.623848 0.623848 0.623848 ] [ 0.376152 0.376152 0.376152 ] [ 0.123848 0.623848 0.876152 ] [ 0.876152 0.123848 0.623848 ] [ 0.623848 0.876152 0.123848 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.79097477 "source-unit" "angstrom" } "c11" { "source-value" 113.53541587848595 "source-unit" "GPa" } "c12" { "source-value" 50.0169738146849 "source-unit" "GPa" } "c44" { "source-value" 19.13652137666667 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }