{ "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 0.187524 0.308023 ] [ 0.812476 0.308023 0 ] [ 0.691977 0 0.187524 ] [ 0.812476 0.691977 0 ] [ 0.308023 0 0.812476 ] [ 0.187524 0.691977 0 ] [ 0.691977 0 0.812476 ] [ 0.308023 0 0.187524 ] [ 0.187524 0.308023 0 ] [ 0 0.812476 0.308023 ] [ 0 0.187524 0.691977 ] [ 0 0.812476 0.691977 ] [ 0.5 0.687524 0.808023 ] [ 0.312476 0.808023 0.5 ] [ 0.191977 0.5 0.687524 ] [ 0.312476 0.191977 0.5 ] [ 0.808023 0.5 0.312476 ] [ 0.687524 0.191977 0.5 ] [ 0.191977 0.5 0.312476 ] [ 0.808023 0.5 0.687524 ] [ 0.687524 0.808023 0.5 ] [ 0.5 0.312476 0.808023 ] [ 0.5 0.687524 0.191977 ] [ 0.5 0.312476 0.191977 ] [ 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" "Tc" "Tc" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.53260417544 "source-unit" "angstrom" } "c11" { "source-value" 192.6518931058518 "source-unit" "GPa" } "c12" { "source-value" 45.875895832123554 "source-unit" "GPa" } "c44" { "source-value" 73.81077555333333 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }