[ { "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" 5.878823313117034 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.878823313117034e-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" -831801.8789853938 "source-unit" "GPa" "source-std-uncert-value" 0.007335932079762438 "si-unit" "kg / m s^2" "si-value" -831801878985393.8 } "c12" { "source-value" 23.653079729222288 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361867984 "si-unit" "kg / m s^2" "si-value" 23653079729.22229 } "c44" { "source-value" -311925.0719426495 "source-unit" "GPa" "source-std-uncert-value" 0.0018339831892979852 "si-unit" "kg / m s^2" "si-value" -311925071942649.5 } "excess" { "source-value" 51855.19934079522 "source-unit" "GPa" "source-std-uncert-value" 0.0025936432107769376 "si-unit" "kg / m s^2" "si-value" 51855199340795.22 } } { "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" 5.878823313117034 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.878823313117034e-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" -277251.52427531173 "source-unit" "GPa" "source-std-uncert-value" 0.004235401839508056 "si-unit" "kg / m s^2" "si-value" -277251524275311.8 } } ]