{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.4389 ] [ 0.666667 0.333333 0.9389 ] [ 0.666667 0.333333 0.5611 ] [ 0.333333 0.666667 0.0611 ] [ 0.168814 0.337628 0.75 ] [ 0.831186 0.168814 0.25 ] [ 0.337628 0.168814 0.25 ] [ 0.662372 0.831186 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.831186 0.662372 0.25 ] [ 0.168814 0.831186 0.75 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.06421084106 "source-unit" "angstrom" } "c" { "source-value" 8.0251214 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 100.29706267979904 "source-unit" "GPa" "source-std-uncert-value" 0.006534341223513707 } }