{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.875 0.375 0.875 ] [ 0.625 0.125 0.125 ] [ 0.875 0.875 0.375 ] [ 0.625 0.625 0.625 ] [ 0.375 0.375 0.375 ] [ 0.125 0.125 0.625 ] [ 0.375 0.875 0.875 ] [ 0.125 0.625 0.125 ] [ 0.75 0 0.75 ] [ 0.75 0.75 0 ] [ 0 0 0 ] [ 0 0.75 0.75 ] [ 0.75 0.5 0.25 ] [ 0.75 0.25 0.5 ] [ 0 0.5 0.5 ] [ 0 0.25 0.25 ] [ 0.25 0 0.25 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.75 0.25 ] [ 0.25 0.5 0.75 ] [ 0.25 0.25 0 ] [ 0.5 0.5 0 ] [ 0.5 0.25 0.75 ] [ 0.986371 0.986371 0.763629 ] [ 0.013629 0.236371 0.013629 ] [ 0.736371 0.513629 0.013629 ] [ 0.736371 0.236371 0.736371 ] [ 0.763629 0.986371 0.986371 ] [ 0.763629 0.263629 0.263629 ] [ 0.513629 0.513629 0.236371 ] [ 0.486371 0.263629 0.986371 ] [ 0.986371 0.486371 0.263629 ] [ 0.013629 0.736371 0.513629 ] [ 0.736371 0.013629 0.513629 ] [ 0.736371 0.736371 0.236371 ] [ 0.763629 0.486371 0.486371 ] [ 0.763629 0.763629 0.763629 ] [ 0.513629 0.013629 0.736371 ] [ 0.486371 0.763629 0.486371 ] [ 0.486371 0.986371 0.263629 ] [ 0.513629 0.236371 0.513629 ] [ 0.236371 0.513629 0.513629 ] [ 0.236371 0.236371 0.236371 ] [ 0.263629 0.986371 0.486371 ] [ 0.263629 0.263629 0.763629 ] [ 0.013629 0.513629 0.736371 ] [ 0.986371 0.263629 0.486371 ] [ 0.486371 0.486371 0.763629 ] [ 0.513629 0.736371 0.013629 ] [ 0.236371 0.013629 0.013629 ] [ 0.236371 0.736371 0.736371 ] [ 0.263629 0.486371 0.986371 ] [ 0.263629 0.763629 0.263629 ] [ 0.013629 0.013629 0.236371 ] [ 0.986371 0.763629 0.986371 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 8.17073309625 "source-unit" "angstrom" } "c11" { "source-value" 251.51376417520228 "source-unit" "GPa" } "c12" { "source-value" 144.80714446617526 "source-unit" "GPa" } "c44" { "source-value" 141.72347917333332 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }