[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" 5.928385093808174 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.928385093808174e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" 76.54962183188047 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724932844 "si-unit" "kg / m s^2" "si-value" 76549621831.88048 } "c12" { "source-value" 94.96243418522197 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361935968 "si-unit" "kg / m s^2" "si-value" 94962434185.22197 } "c44" { "source-value" 6961.233221815092 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826925412178 "si-unit" "kg / m s^2" "si-value" 6961233221815.093 } "excess" { "source-value" 1260.791314501427 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318163939 "si-unit" "kg / m s^2" "si-value" 1260791314501.427 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" 5.928385093808174 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.928385093808174e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" 88.82483006744147 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578807968 "si-unit" "kg / m s^2" "si-value" 88824830067.44147 } } ]