[ { "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" 6.270951122045517 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.270951122045517e-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" 8.470915983902868 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724821951 "si-unit" "kg / m s^2" "si-value" 8470915983.902868 } "c12" { "source-value" 11.341927926476941 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361839653 "si-unit" "kg / m s^2" "si-value" 11341927926.47694 } "c44" { "source-value" -12212.93172934127 "source-unit" "GPa" "source-std-uncert-value" 0.0018339827010957295 "si-unit" "kg / m s^2" "si-value" -12212931729341.27 } "excess" { "source-value" 0.011321213568470281 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913301 "si-unit" "kg / m s^2" "si-value" 11321213.56847028 } } { "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" 6.270951122045517 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.270951122045517e-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" 10.384923945618917 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578734199 "si-unit" "kg / m s^2" "si-value" 10384923945.61892 } } ]