[ { "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" 5.983821791410453 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.983821791410453e-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" -2769267.021263562 "source-unit" "GPa" "source-std-uncert-value" 0.007335935235825938 "si-unit" "kg / m s^2" "si-value" -2769267021263562.0 } "c12" { "source-value" 250.257179310653 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362114838 "si-unit" "kg / m s^2" "si-value" 250257179310.653 } "c44" { "source-value" -1038512.6045976727 "source-unit" "GPa" "source-std-uncert-value" 0.0018339843728392073 "si-unit" "kg / m s^2" "si-value" -1038512604597673.0 } "excess" { "source-value" 168384.03366440427 "source-unit" "GPa" "source-std-uncert-value" 0.002593643277886433 "si-unit" "kg / m s^2" "si-value" 168384033664404.3 } } { "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" 5.983821791410453 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.983821791410453e-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" -922922.1689683136 "source-unit" "GPa" "source-std-uncert-value" 0.004235402447027291 "si-unit" "kg / m s^2" "si-value" -922922168968313.6 } } ]