[ { "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" 6.589587092399598 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.589587092399598e-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" 17.20906129898771 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724836184 "si-unit" "kg / m s^2" "si-value" 17209061298.98771 } "c12" { "source-value" 11.424786390881478 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361839748 "si-unit" "kg / m s^2" "si-value" 11424786390.88148 } "c44" { "source-value" 4.9828773496760865 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812101548 "si-unit" "kg / m s^2" "si-value" 4982877349.676086 } "excess" { "source-value" 0.02906820101290038 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133113 "si-unit" "kg / m s^2" "si-value" 29068201.01290038 } } { "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" 6.589587092399598 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.589587092399598e-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" 13.352878026916887 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157873699 "si-unit" "kg / m s^2" "si-value" 13352878026.91689 } } ]