[ { "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" 6.275490939617157 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.275490939617157e-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" -2840208.1984130307 "source-unit" "GPa" "source-std-uncert-value" 0.007335935351262022 "si-unit" "kg / m s^2" "si-value" -2840208198413030.0 } "c12" { "source-value" 52.05125140684866 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361899113 "si-unit" "kg / m s^2" "si-value" 52051251406.84866 } "c44" { "source-value" -1065076.04830906 "source-unit" "GPa" "source-std-uncert-value" 0.0018339844161085026 "si-unit" "kg / m s^2" "si-value" -1065076048309060.0 } "excess" { "source-value" 20.434274750296193 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809250628 "si-unit" "kg / m s^2" "si-value" 20434274750.29619 } } { "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" 6.275490939617157 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.275490939617157e-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" -946701.3653034057 "source-unit" "GPa" "source-std-uncert-value" 0.00423540246912556 "si-unit" "kg / m s^2" "si-value" -946701365303405.6 } } ]