[ { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.8392375111579895 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.83923751115799e-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" 60.10733761416652 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724906061 "si-unit" "kg / m s^2" "si-value" 60107337614.16652 } "c12" { "source-value" 63.87570540235274 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361900162 "si-unit" "kg / m s^2" "si-value" 63875705402.35275 } "c44" { "source-value" -861.6163744715051 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826826055286 "si-unit" "kg / m s^2" "si-value" -861616374471.5051 } "excess" { "source-value" 124.79069107421111 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180985162 "si-unit" "kg / m s^2" "si-value" 124790691074.2111 } } { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.8392375111579895 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.83923751115799e-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" 62.619582806290666 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578783323 "si-unit" "kg / m s^2" "si-value" 62619582806.29066 } } ]