[ { "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 5.425685524940491 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.425685524940491e-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" -1737540.1279128352 "source-unit" "GPa" "source-std-uncert-value" 0.007335933555165669 "si-unit" "kg / m s^2" "si-value" -1737540127912835.0 } "c12" { "source-value" 78.37756014992505 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361916865 "si-unit" "kg / m s^2" "si-value" 78377560149.92505 } "c44" { "source-value" -651598.88206617 "source-unit" "GPa" "source-std-uncert-value" 0.001833983742593959 "si-unit" "kg / m s^2" "si-value" -651598882066170.0 } "excess" { "source-value" 34.08528284910202 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180932924 "si-unit" "kg / m s^2" "si-value" 34085282849.10202 } } { "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 5.425685524940491 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.425685524940491e-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" -579127.7909308451 "source-unit" "GPa" "source-std-uncert-value" 0.004235402123476201 "si-unit" "kg / m s^2" "si-value" -579127790930845.1 } } ]