{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0.186415 0.308533 ] [ 0.813585 0.308533 0 ] [ 0.691467 0 0.186415 ] [ 0.813585 0.691467 0 ] [ 0.308533 0 0.813585 ] [ 0.186415 0.691467 0 ] [ 0.691467 0 0.813585 ] [ 0.308533 0 0.186415 ] [ 0.186415 0.308533 0 ] [ 0 0.813585 0.308533 ] [ 0 0.186415 0.691467 ] [ 0 0.813585 0.691467 ] [ 0.5 0.686415 0.808533 ] [ 0.313585 0.808533 0.5 ] [ 0.191467 0.5 0.686415 ] [ 0.313585 0.191467 0.5 ] [ 0.808533 0.5 0.313585 ] [ 0.686415 0.191467 0.5 ] [ 0.191467 0.5 0.313585 ] [ 0.808533 0.5 0.686415 ] [ 0.686415 0.808533 0.5 ] [ 0.5 0.313585 0.808533 ] [ 0.5 0.686415 0.191467 ] [ 0.5 0.313585 0.191467 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "W" "W" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.58854453809 "source-unit" "angstrom" } "c11" { "source-value" 168.39653794532452 "source-unit" "GPa" } "c12" { "source-value" 53.312925287748676 "source-unit" "GPa" } "c44" { "source-value" 56.154844523347776 "source-unit" "GPa" } "excess" { "source-value" 1.230696119288011e-14 "source-unit" "GPa" } }