[ { "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" 6.158962845802315 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.158962845802315e-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" 213.36981912042992 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725155712 "si-unit" "kg / m s^2" "si-value" 213369819120.4299 } "c12" { "source-value" 175.80505400916107 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362029082 "si-unit" "kg / m s^2" "si-value" 175805054009.1611 } "c44" { "source-value" 29.723758141038 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812504552 "si-unit" "kg / m s^2" "si-value" 29723758141.038 } "excess" { "source-value" 0.05320689844269316 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133248 "si-unit" "kg / m s^2" "si-value" 53206898.44269316 } } { "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" 6.158962845802315 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.158962845802315e-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" 188.326642379584 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015789015445 "si-unit" "kg / m s^2" "si-value" 188326642379.584 } } ]