[ { "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" [ "K" "K" "K" "K" "K" "K" "K" "K" ] } "a" { "source-value" 9.376852756738677 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.376852756738677e-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" -68940.71153977234 "source-unit" "GPa" "source-std-uncert-value" 0.007335930837105943 "si-unit" "kg / m s^2" "si-value" -68940711539772.34 } "c12" { "source-value" 2.2168336941320663 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361829142 "si-unit" "kg / m s^2" "si-value" 2216833694.132066 } "c44" { "source-value" -51706.457541212825 "source-unit" "GPa" "source-std-uncert-value" 0.0018339827654268851 "si-unit" "kg / m s^2" "si-value" -51706457541212.83 } "excess" { "source-value" 0.05016332174877878 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913323 "si-unit" "kg / m s^2" "si-value" 50163321.74877878 } } { "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" [ "K" "K" "K" "K" "K" "K" "K" "K" ] } "a" { "source-value" 9.376852756738677 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.376852756738677e-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" -22978.75929079469 "source-unit" "GPa" "source-std-uncert-value" 0.0042354016003375424 "si-unit" "kg / m s^2" "si-value" -22978759290794.69 } } ]