[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 3.82914985716343 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.82914985716343e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 1564.6560176975192 "source-unit" "GPa" "source-std-uncert-value" 0.007335930727356826 "si-unit" "kg / m s^2" "si-value" 1564656017697.519 } "c12" { "source-value" 1505.372898836157 "source-unit" "GPa" "source-std-uncert-value" 0.005187286363560491 "si-unit" "kg / m s^2" "si-value" 1505372898836.157 } "c44" { "source-value" 27.0933527644128 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812461702 "si-unit" "kg / m s^2" "si-value" 27093352764.4128 } "excess" { "source-value" 3.996802888651444e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 3.996802888651444 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 3.82914985716343 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.82914985716343e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 1525.133938456611 "source-unit" "GPa" "source-std-uncert-value" 0.004235401580158742 "si-unit" "kg / m s^2" "si-value" 1525133938456.611 } } ]