[ { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.169526793062688 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.169526793062688e-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" -3206896.1461271867 "source-unit" "GPa" "source-std-uncert-value" 0.007335935948534527 "si-unit" "kg / m s^2" "si-value" -3206896146127186.0 } "c12" { "source-value" 69.5608700794553 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619099535 "si-unit" "kg / m s^2" "si-value" 69560870079.45529 } "c44" { "source-value" -1202555.1383853254 "source-unit" "GPa" "source-std-uncert-value" 0.0018339846400487203 "si-unit" "kg / m s^2" "si-value" -1202555138385326.0 } "excess" { "source-value" 8.602681895584633 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180918249 "si-unit" "kg / m s^2" "si-value" 8602681895.584633 } } { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.169526793062688 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.169526793062688e-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" -1068919.008129009 "source-unit" "GPa" "source-std-uncert-value" 0.004235402584076659 "si-unit" "kg / m s^2" "si-value" -1068919008129009.0 } } ]