[ { "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 5.144782610237598 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.144782610237598e-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" 145.22994089049612 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725044718 "si-unit" "kg / m s^2" "si-value" 145229940890.4961 } "c12" { "source-value" 61.679346107322736 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361897633 "si-unit" "kg / m s^2" "si-value" 61679346107.32274 } "c44" { "source-value" 36.05116438754846 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812607618 "si-unit" "kg / m s^2" "si-value" 36051164387.54846 } "excess" { "source-value" 0.04267473108222449 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913319 "si-unit" "kg / m s^2" "si-value" 42674731.08222449 } } { "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 5.144782610237598 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.144782610237598e-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" 89.52954436838053 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578808631 "si-unit" "kg / m s^2" "si-value" 89529544368.38052 } } ]