{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.212514 0.425027 0.5 ] [ 0.787486 0.212514 0.5 ] [ 0.425027 0.212514 0.5 ] [ 0.574973 0.787486 0.5 ] [ 0.212514 0.787486 0.5 ] [ 0.787486 0.574973 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] ] } "species" { "source-value" [ "Ca" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Co" "Co" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.89098674097 "source-unit" "angstrom" } "c" { "source-value" 3.85994789 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 84.50446970731505 "source-unit" "GPa" "source-std-uncert-value" 0.22959075826172182 } }