[ { "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 5.92193698883e-10 "source-value" 5.92193698883 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 45699913989.5 "source-std-uncert-value" 0.0018339826812764789 "source-value" 45.699913989478404 } "space-group" { "source-value" "Fd-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 37461301.5793 "source-std-uncert-value" 0.002593643180913316 "source-value" 0.03746130157930472 } "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 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 61294433650.2 "source-std-uncert-value" 0.005187286361897189 "source-value" 61.294433650155845 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 104332979590.0 "source-std-uncert-value" 0.007335930724978101 "source-value" 104.33297959002796 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "instance-id" 1 } { "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 5.92193698883e-10 "source-value" 5.92193698883 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 75640615630.1 "source-std-uncert-value" 0.004235401578795569 "source-value" 75.64061563011322 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Fd-3m" } "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 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "instance-id" 2 } ]