{ "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_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.251986 0 0.25 ] [ 0.251986 0.251986 0.75 ] [ 0 0.748014 0.75 ] [ 0 0.251986 0.25 ] [ 0.748014 0.748014 0.25 ] [ 0.748014 0 0.75 ] [ 0.610912 0 0.25 ] [ 0.610912 0.610912 0.75 ] [ 0 0.389088 0.75 ] [ 0 0.610912 0.25 ] [ 0.389088 0.389088 0.25 ] [ 0.389088 0 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.08704719042 "source-unit" "angstrom" } "c" { "source-value" 6.99021841 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 36.48256834163877 "source-unit" "GPa" "source-std-uncert-value" 1.6479985374142956 } }