[ { "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" [ "In" "In" "In" "In" "In" "In" "In" "In" ] } "a" { "source-value" 6.449742078781128 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.449742078781128e-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" -2143239.5564611433 "source-unit" "GPa" "source-std-uncert-value" 0.00733593421593971 "si-unit" "kg / m s^2" "si-value" -2143239556461143.0 } "c12" { "source-value" 23.91543639324561 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361854135 "si-unit" "kg / m s^2" "si-value" 23915436393.24561 } "c44" { "source-value" -803722.3561759451 "source-unit" "GPa" "source-std-uncert-value" 0.0018339839903884698 "si-unit" "kg / m s^2" "si-value" -803722356175945.1 } "excess" { "source-value" 134014.45824917863 "source-unit" "GPa" "source-std-uncert-value" 0.002593643258092833 "si-unit" "kg / m s^2" "si-value" 134014458249178.6 } } { "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" [ "In" "In" "In" "In" "In" "In" "In" "In" ] } "a" { "source-value" 6.449742078781128 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.449742078781128e-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" -714397.2418627855 "source-unit" "GPa" "source-std-uncert-value" 0.004235402250608115 "si-unit" "kg / m s^2" "si-value" -714397241862785.5 } } ]