[ { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 1.773764625191689 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.773764625191689e-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" 3188.0627384459985 "source-unit" "GPa" "source-std-uncert-value" 0.007335930730001199 "si-unit" "kg / m s^2" "si-value" 3188062738445.999 } "c12" { "source-value" 227.96196335174366 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362089157 "si-unit" "kg / m s^2" "si-value" 227961963351.7437 } "c44" { "source-value" 2401.099733030831 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826851131984 "si-unit" "kg / m s^2" "si-value" 2401099733030.831 } "excess" { "source-value" 0.0005284164217301876 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913295 "si-unit" "kg / m s^2" "si-value" 528416.4217301876 } } { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 1.773764625191689 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.773764625191689e-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" 1214.6622217164952 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579866759 "si-unit" "kg / m s^2" "si-value" 1214662221716.495 } } ]