[ { "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.04466639459e-10 "source-value" 4.04466639459 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -562415267023999.9 "source-std-uncert-value" 0.0018339835973224259 "source-value" -562415.2670240161 } "space-group" { "source-value" "Fd-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 104783435584.0 "source-std-uncert-value" 0.00259364318097364 "source-value" 104.78343558371903 } "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 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 152852081849.0 "source-std-uncert-value" 0.005187286362002645 "source-value" 152.85208184919037 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -1499678570430000.0 "source-std-uncert-value" 0.00733593316767238 "source-value" -1499678.5704331268 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "instance-id" 1 } { "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.04466639459e-10 "source-value" 4.04466639459 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -499790955423000.0 "source-std-uncert-value" 0.0042354020489497575 "source-value" -499790.95542314276 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Fd-3m" } "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 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "instance-id" 2 } ]