[ { "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 5.6360058307647725 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.636005830764772e-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" -640073.2188072688 "source-unit" "GPa" "source-std-uncert-value" 0.007335931767570804 "si-unit" "kg / m s^2" "si-value" -640073218807268.8 } "c12" { "source-value" 125.40766969388683 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361971035 "si-unit" "kg / m s^2" "si-value" 125407669693.8868 } "c44" { "source-value" -240073.95639911355 "source-unit" "GPa" "source-std-uncert-value" 0.0018339830722594274 "si-unit" "kg / m s^2" "si-value" -240073956399113.6 } "excess" { "source-value" 0.08218690195073852 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133417 "si-unit" "kg / m s^2" "si-value" 82186901.95073852 } } { "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 5.6360058307647725 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.636005830764772e-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" -213274.13448929368 "source-unit" "GPa" "source-std-uncert-value" 0.004235401779482835 "si-unit" "kg / m s^2" "si-value" -213274134489293.7 } } ]