{ "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" [ [ 0.063407 0.063407 0.063407 ] [ 0.436593 0.936593 0.563407 ] [ 0.563407 0.436593 0.936593 ] [ 0.936593 0.563407 0.436593 ] [ 0.682556 0.682556 0.682556 ] [ 0.817444 0.317444 0.182556 ] [ 0.182556 0.817444 0.317444 ] [ 0.317444 0.182556 0.817444 ] [ 0.785109 0.949221 0.386189 ] [ 0.386189 0.785109 0.949221 ] [ 0.949221 0.386189 0.785109 ] [ 0.550779 0.613811 0.285109 ] [ 0.886189 0.714891 0.050779 ] [ 0.050779 0.886189 0.714891 ] [ 0.113811 0.214891 0.449221 ] [ 0.613811 0.285109 0.550779 ] [ 0.449221 0.113811 0.214891 ] [ 0.285109 0.550779 0.613811 ] [ 0.214891 0.449221 0.113811 ] [ 0.714891 0.050779 0.886189 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "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" 7.05464985 "source-unit" "angstrom" } "c11" { "source-value" 136.33470778164403 "source-unit" "GPa" } "c12" { "source-value" 121.81011480079204 "source-unit" "GPa" } "c44" { "source-value" 26.362839766666667 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }