[ { "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" 5.413734883069992 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.413734883069992e-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" 41.07445399952501 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248750585 "si-unit" "kg / m s^2" "si-value" 41074453999.52501 } "c12" { "source-value" 51.564654517548064 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361885981 "si-unit" "kg / m s^2" "si-value" 51564654517.54807 } "c44" { "source-value" -408169.4074183582 "source-unit" "GPa" "source-std-uncert-value" 0.0018339833460708135 "si-unit" "kg / m s^2" "si-value" -408169407418358.2 } "excess" { "source-value" 101986.52144798497 "source-unit" "GPa" "source-std-uncert-value" 0.0025936432396477956 "si-unit" "kg / m s^2" "si-value" 101986521447985.0 } } { "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" 5.413734883069992 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.413734883069992e-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" 48.06792101154038 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578769638 "si-unit" "kg / m s^2" "si-value" 48067921011.54037 } } ]