[ { "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" 5.275480851531029 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.275480851531029e-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" 117.09242453005186 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724998886 "si-unit" "kg / m s^2" "si-value" 117092424530.0519 } "c12" { "source-value" 54.78347369822504 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618896885 "si-unit" "kg / m s^2" "si-value" 54783473698.22504 } "c44" { "source-value" 29.984829156880817 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812508802 "si-unit" "kg / m s^2" "si-value" 29984829156.88082 } "excess" { "source-value" 0.02669896903562707 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091331 "si-unit" "kg / m s^2" "si-value" 26698969.03562707 } } { "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" 5.275480851531029 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.275480851531029e-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" 75.55312397550064 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578795486 "si-unit" "kg / m s^2" "si-value" 75553123975.50064 } } ]