[ { "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" 3.618837259709835 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.618837259709835e-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" 46087.7273484269 "source-unit" "GPa" "source-std-uncert-value" 0.007335930799880629 "si-unit" "kg / m s^2" "si-value" 46087727348426.91 } "c12" { "source-value" 45611.01325078037 "source-unit" "GPa" "source-std-uncert-value" 0.005187286414361763 "si-unit" "kg / m s^2" "si-value" 45611013250780.38 } "c44" { "source-value" 438.8093731217443 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826819168163 "si-unit" "kg / m s^2" "si-value" 438809373121.7443 } "excess" { "source-value" 0.007115333507576958 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132983 "si-unit" "kg / m s^2" "si-value" 7115333.507576957 } } { "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" 3.618837259709835 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.618837259709835e-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" 45769.91794999588 "source-unit" "GPa" "source-std-uncert-value" 0.004235401621768664 "si-unit" "kg / m s^2" "si-value" 45769917949995.88 } } ]